USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=20 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 80 THR OG1 : rot -32:sc= -2.25! USER MOD Set 1.2: A 83 HIS : no HD1:sc= 0.0735 K(o=-2.2,f=-4.1!) USER MOD Set 2.1: A 42 LYS NZ :NH3+ 148:sc= 0.00353 (180deg=0) USER MOD Set 2.2: A 45 GLN : amide:sc= -0.107 K(o=-0.1,f=-2) 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+ -135:sc= 0.0326 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -139:sc= -0.246 (180deg=-2.06!) USER MOD Single : A 32 ASN : amide:sc= -0.732 K(o=-0.73,f=-3.9!) USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -152:sc= -0.191 (180deg=-1.46!) USER MOD Single : A 43 GLN : amide:sc= -1.5! K(o=-1.5!,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -8.02! C(o=-8!,f=-11!) USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= -0.166 (180deg=-0.811) USER MOD Single : A 51 MET CE :methyl -160:sc= -0.0317 (180deg=-0.617) USER MOD Single : A 52 THR OG1 : rot 79:sc= 0.653 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 65 SER OG : rot -159:sc= -1.53 USER MOD Single : A 66 MET CE :methyl 142:sc= -0.165 (180deg=-2.07!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc=-0.00665 K(o=-0.0067,f=-1.5) USER MOD Single : A 90 ASN : amide:sc= -0.66 K(o=-0.66,f=-1.7) USER MOD Single : A 94 THR OG1 : rot 73:sc= 0.914 USER MOD Single : A 96 GLN : amide:sc= -2.24 K(o=-2.2,f=-5.3!) USER MOD Single : A 99 ASN : amide:sc= -0.159 K(o=-0.16,f=-2.4!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.1) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 102:sc= 1.21 USER MOD Single : A 116 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 119 ASN : amide:sc= -4.72! C(o=-4.7!,f=-4.2!) USER MOD Single : A 123 ASN : amide:sc= -6.38! C(o=-6.4!,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -13.930 7.421 -4.302 1.00 0.00 N ATOM 2 CA ALA A 2 -13.092 7.868 -3.154 1.00 0.00 C ATOM 3 C ALA A 2 -12.658 6.653 -2.340 1.00 0.00 C ATOM 4 O ALA A 2 -11.540 6.604 -1.826 1.00 0.00 O ATOM 5 CB ALA A 2 -13.903 8.822 -2.274 1.00 0.00 C ATOM 0 HA ALA A 2 -12.207 8.386 -3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.292 9.150 -1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.208 9.688 -2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.788 8.308 -1.900 1.00 0.00 H new ATOM 13 N SER A 3 -13.550 5.674 -2.227 1.00 0.00 N ATOM 14 CA SER A 3 -13.251 4.464 -1.473 1.00 0.00 C ATOM 15 C SER A 3 -13.354 3.235 -2.370 1.00 0.00 C ATOM 16 O SER A 3 -14.134 3.213 -3.321 1.00 0.00 O ATOM 17 CB SER A 3 -14.222 4.325 -0.301 1.00 0.00 C ATOM 18 OG SER A 3 -14.124 5.475 0.528 1.00 0.00 O ATOM 0 H SER A 3 -14.480 5.695 -2.645 1.00 0.00 H new ATOM 0 HA SER A 3 -12.232 4.538 -1.093 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.242 4.214 -0.670 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.991 3.428 0.273 1.00 0.00 H new ATOM 0 HG SER A 3 -14.747 5.390 1.280 1.00 0.00 H new ATOM 24 N LEU A 4 -12.561 2.213 -2.061 1.00 0.00 N ATOM 25 CA LEU A 4 -12.574 0.985 -2.847 1.00 0.00 C ATOM 26 C LEU A 4 -13.991 0.428 -2.936 1.00 0.00 C ATOM 27 O LEU A 4 -14.405 -0.082 -3.978 1.00 0.00 O ATOM 28 CB LEU A 4 -11.650 -0.052 -2.205 1.00 0.00 C ATOM 29 CG LEU A 4 -11.577 -1.298 -3.092 1.00 0.00 C ATOM 30 CD1 LEU A 4 -10.865 -0.959 -4.404 1.00 0.00 C ATOM 31 CD2 LEU A 4 -10.798 -2.396 -2.362 1.00 0.00 C ATOM 0 H LEU A 4 -11.907 2.211 -1.278 1.00 0.00 H new ATOM 0 HA LEU A 4 -12.220 1.209 -3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.654 0.369 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.020 -0.320 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.587 -1.645 -3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.816 -1.849 -5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.417 -0.177 -4.926 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.855 -0.609 -4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.745 -3.284 -2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.790 -2.044 -2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.305 -2.643 -1.429 1.00 0.00 H new ATOM 43 N TYR A 5 -14.731 0.535 -1.839 1.00 0.00 N ATOM 44 CA TYR A 5 -16.104 0.046 -1.800 1.00 0.00 C ATOM 45 C TYR A 5 -16.952 0.724 -2.870 1.00 0.00 C ATOM 46 O TYR A 5 -17.754 0.076 -3.543 1.00 0.00 O ATOM 47 CB TYR A 5 -16.709 0.316 -0.421 1.00 0.00 C ATOM 48 CG TYR A 5 -18.196 0.058 -0.460 1.00 0.00 C ATOM 49 CD1 TYR A 5 -18.682 -1.208 -0.805 1.00 0.00 C ATOM 50 CD2 TYR A 5 -19.089 1.090 -0.150 1.00 0.00 C ATOM 51 CE1 TYR A 5 -20.063 -1.440 -0.840 1.00 0.00 C ATOM 52 CE2 TYR A 5 -20.469 0.857 -0.184 1.00 0.00 C ATOM 53 CZ TYR A 5 -20.956 -0.408 -0.529 1.00 0.00 C ATOM 54 OH TYR A 5 -22.316 -0.638 -0.564 1.00 0.00 O ATOM 0 H TYR A 5 -14.405 0.954 -0.968 1.00 0.00 H new ATOM 0 HA TYR A 5 -16.093 -1.027 -1.994 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -16.238 -0.324 0.325 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -16.516 1.347 -0.124 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -17.993 -2.005 -1.044 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -18.713 2.067 0.116 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -20.439 -2.416 -1.107 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -21.157 1.654 0.056 1.00 0.00 H new ATOM 0 HH TYR A 5 -22.793 0.183 -0.321 1.00 0.00 H new ATOM 64 N GLU A 6 -16.776 2.032 -3.018 1.00 0.00 N ATOM 65 CA GLU A 6 -17.537 2.787 -4.005 1.00 0.00 C ATOM 66 C GLU A 6 -17.192 2.335 -5.422 1.00 0.00 C ATOM 67 O GLU A 6 -18.069 2.240 -6.281 1.00 0.00 O ATOM 68 CB GLU A 6 -17.238 4.280 -3.856 1.00 0.00 C ATOM 69 CG GLU A 6 -18.154 5.083 -4.783 1.00 0.00 C ATOM 70 CD GLU A 6 -19.596 4.996 -4.293 1.00 0.00 C ATOM 71 OE1 GLU A 6 -19.786 4.763 -3.111 1.00 0.00 O ATOM 72 OE2 GLU A 6 -20.488 5.164 -5.109 1.00 0.00 O ATOM 0 H GLU A 6 -16.118 2.588 -2.471 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.598 2.605 -3.833 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.389 4.590 -2.822 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.194 4.478 -4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -17.833 6.124 -4.812 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.083 4.699 -5.801 1.00 0.00 H new ATOM 79 N LYS A 7 -15.913 2.067 -5.664 1.00 0.00 N ATOM 80 CA LYS A 7 -15.472 1.639 -6.987 1.00 0.00 C ATOM 81 C LYS A 7 -16.061 0.277 -7.349 1.00 0.00 C ATOM 82 O LYS A 7 -16.687 0.122 -8.398 1.00 0.00 O ATOM 83 CB LYS A 7 -13.944 1.556 -7.024 1.00 0.00 C ATOM 84 CG LYS A 7 -13.335 2.890 -6.573 1.00 0.00 C ATOM 85 CD LYS A 7 -13.685 3.990 -7.579 1.00 0.00 C ATOM 86 CE LYS A 7 -12.757 5.187 -7.364 1.00 0.00 C ATOM 87 NZ LYS A 7 -13.511 6.449 -7.605 1.00 0.00 N ATOM 0 H LYS A 7 -15.170 2.138 -4.969 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.821 2.373 -7.713 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -13.599 0.751 -6.374 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -13.609 1.317 -8.033 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.711 3.156 -5.585 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.253 2.795 -6.487 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.582 3.614 -8.597 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.724 4.294 -7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.361 5.176 -6.349 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.904 5.126 -8.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.936 7.091 -8.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.399 6.233 -8.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.725 6.905 -6.695 1.00 0.00 H new ATOM 101 N LEU A 8 -15.854 -0.708 -6.480 1.00 0.00 N ATOM 102 CA LEU A 8 -16.368 -2.051 -6.730 1.00 0.00 C ATOM 103 C LEU A 8 -17.890 -2.078 -6.621 1.00 0.00 C ATOM 104 O LEU A 8 -18.562 -2.779 -7.377 1.00 0.00 O ATOM 105 CB LEU A 8 -15.762 -3.041 -5.730 1.00 0.00 C ATOM 106 CG LEU A 8 -14.233 -3.012 -5.832 1.00 0.00 C ATOM 107 CD1 LEU A 8 -13.641 -4.071 -4.899 1.00 0.00 C ATOM 108 CD2 LEU A 8 -13.805 -3.315 -7.271 1.00 0.00 C ATOM 0 H LEU A 8 -15.340 -0.604 -5.605 1.00 0.00 H new ATOM 0 HA LEU A 8 -16.086 -2.341 -7.742 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -16.073 -2.785 -4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -16.130 -4.047 -5.932 1.00 0.00 H new ATOM 0 HG LEU A 8 -13.873 -2.024 -5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.554 -4.052 -4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.941 -3.860 -3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.006 -5.056 -5.189 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -12.717 -3.293 -7.339 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.167 -4.302 -7.558 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -14.226 -2.565 -7.941 1.00 0.00 H new ATOM 120 N GLY A 9 -18.426 -1.314 -5.676 1.00 0.00 N ATOM 121 CA GLY A 9 -19.870 -1.261 -5.481 1.00 0.00 C ATOM 122 C GLY A 9 -20.345 -2.424 -4.615 1.00 0.00 C ATOM 123 O GLY A 9 -21.543 -2.688 -4.518 1.00 0.00 O ATOM 0 H GLY A 9 -17.888 -0.728 -5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -20.143 -0.317 -5.010 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -20.373 -1.293 -6.447 1.00 0.00 H new ATOM 127 N GLY A 10 -19.398 -3.117 -3.990 1.00 0.00 N ATOM 128 CA GLY A 10 -19.733 -4.252 -3.135 1.00 0.00 C ATOM 129 C GLY A 10 -18.668 -4.458 -2.062 1.00 0.00 C ATOM 130 O GLY A 10 -17.515 -4.764 -2.369 1.00 0.00 O ATOM 0 H GLY A 10 -18.400 -2.915 -4.058 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -20.702 -4.084 -2.664 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -19.825 -5.154 -3.740 1.00 0.00 H new ATOM 134 N ALA A 11 -19.060 -4.289 -0.803 1.00 0.00 N ATOM 135 CA ALA A 11 -18.129 -4.459 0.307 1.00 0.00 C ATOM 136 C ALA A 11 -17.655 -5.905 0.392 1.00 0.00 C ATOM 137 O ALA A 11 -16.480 -6.169 0.645 1.00 0.00 O ATOM 138 CB ALA A 11 -18.806 -4.063 1.620 1.00 0.00 C ATOM 0 H ALA A 11 -20.009 -4.036 -0.527 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.266 -3.816 0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -18.105 -4.193 2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -19.117 -3.020 1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -19.679 -4.694 1.784 1.00 0.00 H new ATOM 144 N ALA A 12 -18.576 -6.838 0.177 1.00 0.00 N ATOM 145 CA ALA A 12 -18.239 -8.255 0.231 1.00 0.00 C ATOM 146 C ALA A 12 -17.269 -8.615 -0.889 1.00 0.00 C ATOM 147 O ALA A 12 -16.396 -9.466 -0.719 1.00 0.00 O ATOM 148 CB ALA A 12 -19.508 -9.100 0.099 1.00 0.00 C ATOM 0 H ALA A 12 -19.554 -6.641 -0.035 1.00 0.00 H new ATOM 0 HA ALA A 12 -17.764 -8.461 1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.247 -10.157 0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -20.190 -8.862 0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -19.992 -8.883 -0.853 1.00 0.00 H new ATOM 154 N ALA A 13 -17.429 -7.959 -2.034 1.00 0.00 N ATOM 155 CA ALA A 13 -16.564 -8.216 -3.179 1.00 0.00 C ATOM 156 C ALA A 13 -15.118 -7.856 -2.855 1.00 0.00 C ATOM 157 O ALA A 13 -14.186 -8.467 -3.377 1.00 0.00 O ATOM 158 CB ALA A 13 -17.037 -7.398 -4.382 1.00 0.00 C ATOM 0 H ALA A 13 -18.145 -7.250 -2.193 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.615 -9.279 -3.416 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -16.386 -7.595 -5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.060 -7.679 -4.634 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.002 -6.337 -4.136 1.00 0.00 H new ATOM 164 N VAL A 14 -14.937 -6.858 -1.995 1.00 0.00 N ATOM 165 CA VAL A 14 -13.597 -6.428 -1.618 1.00 0.00 C ATOM 166 C VAL A 14 -12.823 -7.575 -0.975 1.00 0.00 C ATOM 167 O VAL A 14 -11.664 -7.820 -1.310 1.00 0.00 O ATOM 168 CB VAL A 14 -13.682 -5.260 -0.634 1.00 0.00 C ATOM 169 CG1 VAL A 14 -12.282 -4.924 -0.116 1.00 0.00 C ATOM 170 CG2 VAL A 14 -14.272 -4.038 -1.340 1.00 0.00 C ATOM 0 H VAL A 14 -15.693 -6.337 -1.551 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.073 -6.111 -2.520 1.00 0.00 H new ATOM 0 HB VAL A 14 -14.321 -5.539 0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.344 -4.092 0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.863 -5.794 0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.641 -4.647 -0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -14.332 -3.206 -0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.634 -3.759 -2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -15.270 -4.276 -1.707 1.00 0.00 H new ATOM 180 N ASP A 15 -13.471 -8.274 -0.049 1.00 0.00 N ATOM 181 CA ASP A 15 -12.832 -9.393 0.633 1.00 0.00 C ATOM 182 C ASP A 15 -12.510 -10.516 -0.348 1.00 0.00 C ATOM 183 O ASP A 15 -11.443 -11.125 -0.279 1.00 0.00 O ATOM 184 CB ASP A 15 -13.750 -9.924 1.736 1.00 0.00 C ATOM 185 CG ASP A 15 -13.910 -8.877 2.832 1.00 0.00 C ATOM 186 OD1 ASP A 15 -13.151 -7.922 2.827 1.00 0.00 O ATOM 187 OD2 ASP A 15 -14.790 -9.044 3.660 1.00 0.00 O ATOM 0 H ASP A 15 -14.430 -8.088 0.244 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.900 -9.037 1.072 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.725 -10.177 1.319 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.335 -10.841 2.155 1.00 0.00 H new ATOM 192 N LEU A 16 -13.442 -10.789 -1.255 1.00 0.00 N ATOM 193 CA LEU A 16 -13.247 -11.848 -2.239 1.00 0.00 C ATOM 194 C LEU A 16 -12.082 -11.523 -3.167 1.00 0.00 C ATOM 195 O LEU A 16 -11.307 -12.405 -3.534 1.00 0.00 O ATOM 196 CB LEU A 16 -14.521 -12.034 -3.067 1.00 0.00 C ATOM 197 CG LEU A 16 -15.693 -12.384 -2.146 1.00 0.00 C ATOM 198 CD1 LEU A 16 -16.954 -12.598 -2.984 1.00 0.00 C ATOM 199 CD2 LEU A 16 -15.374 -13.669 -1.377 1.00 0.00 C ATOM 0 H LEU A 16 -14.332 -10.297 -1.329 1.00 0.00 H new ATOM 0 HA LEU A 16 -13.020 -12.770 -1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.742 -11.122 -3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.375 -12.826 -3.802 1.00 0.00 H new ATOM 0 HG LEU A 16 -15.855 -11.568 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -17.788 -12.847 -2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -17.185 -11.686 -3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.789 -13.414 -3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -16.209 -13.918 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -15.211 -14.484 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -14.475 -13.521 -0.779 1.00 0.00 H new ATOM 211 N ALA A 17 -11.961 -10.255 -3.547 1.00 0.00 N ATOM 212 CA ALA A 17 -10.882 -9.840 -4.437 1.00 0.00 C ATOM 213 C ALA A 17 -9.527 -10.027 -3.764 1.00 0.00 C ATOM 214 O ALA A 17 -8.572 -10.492 -4.386 1.00 0.00 O ATOM 215 CB ALA A 17 -11.062 -8.371 -4.824 1.00 0.00 C ATOM 0 H ALA A 17 -12.588 -9.505 -3.257 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.917 -10.460 -5.333 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.253 -8.068 -5.489 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.017 -8.243 -5.334 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.045 -7.753 -3.926 1.00 0.00 H new ATOM 221 N VAL A 18 -9.452 -9.660 -2.489 1.00 0.00 N ATOM 222 CA VAL A 18 -8.210 -9.789 -1.737 1.00 0.00 C ATOM 223 C VAL A 18 -7.848 -11.257 -1.526 1.00 0.00 C ATOM 224 O VAL A 18 -6.675 -11.629 -1.569 1.00 0.00 O ATOM 225 CB VAL A 18 -8.349 -9.097 -0.380 1.00 0.00 C ATOM 226 CG1 VAL A 18 -7.107 -9.379 0.466 1.00 0.00 C ATOM 227 CG2 VAL A 18 -8.489 -7.588 -0.592 1.00 0.00 C ATOM 0 H VAL A 18 -10.232 -9.273 -1.958 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.414 -9.315 -2.311 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.232 -9.477 0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.206 -8.886 1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.005 -10.454 0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.224 -8.998 -0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.588 -7.093 0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.605 -7.209 -1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.374 -7.386 -1.196 1.00 0.00 H new ATOM 237 N GLU A 19 -8.861 -12.085 -1.283 1.00 0.00 N ATOM 238 CA GLU A 19 -8.630 -13.507 -1.049 1.00 0.00 C ATOM 239 C GLU A 19 -7.911 -14.151 -2.231 1.00 0.00 C ATOM 240 O GLU A 19 -6.960 -14.911 -2.047 1.00 0.00 O ATOM 241 CB GLU A 19 -9.965 -14.218 -0.817 1.00 0.00 C ATOM 242 CG GLU A 19 -9.708 -15.678 -0.436 1.00 0.00 C ATOM 243 CD GLU A 19 -11.031 -16.423 -0.306 1.00 0.00 C ATOM 244 OE1 GLU A 19 -12.060 -15.809 -0.540 1.00 0.00 O ATOM 245 OE2 GLU A 19 -10.998 -17.597 0.026 1.00 0.00 O ATOM 0 H GLU A 19 -9.839 -11.800 -1.243 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.999 -13.606 -0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.523 -13.718 -0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.577 -14.169 -1.718 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.085 -16.156 -1.192 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.160 -15.726 0.505 1.00 0.00 H new ATOM 252 N LYS A 20 -8.362 -13.843 -3.443 1.00 0.00 N ATOM 253 CA LYS A 20 -7.740 -14.405 -4.638 1.00 0.00 C ATOM 254 C LYS A 20 -6.293 -13.938 -4.755 1.00 0.00 C ATOM 255 O LYS A 20 -5.408 -14.710 -5.123 1.00 0.00 O ATOM 256 CB LYS A 20 -8.518 -13.982 -5.889 1.00 0.00 C ATOM 257 CG LYS A 20 -9.985 -14.413 -5.769 1.00 0.00 C ATOM 258 CD LYS A 20 -10.089 -15.941 -5.790 1.00 0.00 C ATOM 259 CE LYS A 20 -11.530 -16.351 -6.099 1.00 0.00 C ATOM 260 NZ LYS A 20 -11.728 -17.781 -5.729 1.00 0.00 N ATOM 0 H LYS A 20 -9.146 -13.216 -3.623 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.757 -15.492 -4.555 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.458 -12.901 -6.016 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.070 -14.432 -6.775 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.412 -14.025 -4.844 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.565 -13.990 -6.590 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.414 -16.352 -6.541 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.782 -16.350 -4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.226 -15.721 -5.545 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.742 -16.205 -7.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.707 -18.061 -5.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.073 -18.375 -6.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.542 -17.906 -4.713 1.00 0.00 H new ATOM 274 N PHE A 21 -6.061 -12.667 -4.442 1.00 0.00 N ATOM 275 CA PHE A 21 -4.719 -12.104 -4.516 1.00 0.00 C ATOM 276 C PHE A 21 -3.791 -12.784 -3.514 1.00 0.00 C ATOM 277 O PHE A 21 -2.644 -13.099 -3.832 1.00 0.00 O ATOM 278 CB PHE A 21 -4.769 -10.599 -4.244 1.00 0.00 C ATOM 279 CG PHE A 21 -3.409 -9.994 -4.505 1.00 0.00 C ATOM 280 CD1 PHE A 21 -2.970 -9.806 -5.821 1.00 0.00 C ATOM 281 CD2 PHE A 21 -2.588 -9.626 -3.435 1.00 0.00 C ATOM 282 CE1 PHE A 21 -1.708 -9.251 -6.066 1.00 0.00 C ATOM 283 CE2 PHE A 21 -1.325 -9.071 -3.679 1.00 0.00 C ATOM 284 CZ PHE A 21 -0.886 -8.884 -4.994 1.00 0.00 C ATOM 0 H PHE A 21 -6.780 -12.012 -4.137 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.328 -12.276 -5.519 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.517 -10.128 -4.882 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.069 -10.415 -3.212 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.605 -10.089 -6.648 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.928 -9.770 -2.420 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.369 -9.106 -7.081 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.691 -8.788 -2.852 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.088 -8.456 -5.182 1.00 0.00 H new ATOM 294 N TYR A 22 -4.293 -13.005 -2.303 1.00 0.00 N ATOM 295 CA TYR A 22 -3.495 -13.647 -1.263 1.00 0.00 C ATOM 296 C TYR A 22 -3.043 -15.037 -1.702 1.00 0.00 C ATOM 297 O TYR A 22 -1.904 -15.434 -1.456 1.00 0.00 O ATOM 298 CB TYR A 22 -4.305 -13.760 0.030 1.00 0.00 C ATOM 299 CG TYR A 22 -3.456 -14.416 1.094 1.00 0.00 C ATOM 300 CD1 TYR A 22 -2.601 -13.640 1.887 1.00 0.00 C ATOM 301 CD2 TYR A 22 -3.520 -15.801 1.281 1.00 0.00 C ATOM 302 CE1 TYR A 22 -1.812 -14.252 2.869 1.00 0.00 C ATOM 303 CE2 TYR A 22 -2.732 -16.412 2.264 1.00 0.00 C ATOM 304 CZ TYR A 22 -1.878 -15.638 3.057 1.00 0.00 C ATOM 305 OH TYR A 22 -1.100 -16.241 4.023 1.00 0.00 O ATOM 0 H TYR A 22 -5.239 -12.752 -2.019 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.613 -13.031 -1.088 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.624 -12.772 0.361 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.208 -14.345 -0.143 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.550 -12.571 1.741 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.177 -16.399 0.667 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.153 -13.655 3.481 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.783 -17.481 2.410 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.268 -17.207 4.022 1.00 0.00 H new ATOM 315 N GLY A 23 -3.941 -15.774 -2.349 1.00 0.00 N ATOM 316 CA GLY A 23 -3.618 -17.121 -2.809 1.00 0.00 C ATOM 317 C GLY A 23 -2.395 -17.111 -3.719 1.00 0.00 C ATOM 318 O GLY A 23 -1.569 -18.022 -3.679 1.00 0.00 O ATOM 0 H GLY A 23 -4.889 -15.466 -2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.432 -17.767 -1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.470 -17.540 -3.344 1.00 0.00 H new ATOM 322 N LYS A 24 -2.289 -16.079 -4.544 1.00 0.00 N ATOM 323 CA LYS A 24 -1.164 -15.963 -5.461 1.00 0.00 C ATOM 324 C LYS A 24 0.063 -15.379 -4.758 1.00 0.00 C ATOM 325 O LYS A 24 1.197 -15.721 -5.092 1.00 0.00 O ATOM 326 CB LYS A 24 -1.556 -15.084 -6.650 1.00 0.00 C ATOM 327 CG LYS A 24 -0.470 -15.159 -7.725 1.00 0.00 C ATOM 328 CD LYS A 24 -0.794 -14.162 -8.841 1.00 0.00 C ATOM 329 CE LYS A 24 -2.066 -14.603 -9.571 1.00 0.00 C ATOM 330 NZ LYS A 24 -1.862 -14.484 -11.042 1.00 0.00 N ATOM 0 H LYS A 24 -2.963 -15.315 -4.598 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.906 -16.961 -5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.511 -15.414 -7.060 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.688 -14.052 -6.324 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.504 -14.933 -7.291 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.412 -16.169 -8.130 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.930 -13.165 -8.423 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.038 -14.103 -9.543 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.310 -15.633 -9.309 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.909 -13.987 -9.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.722 -14.099 -11.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.062 -13.847 -11.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.659 -15.423 -11.441 1.00 0.00 H new ATOM 344 N VAL A 25 -0.170 -14.491 -3.793 1.00 0.00 N ATOM 345 CA VAL A 25 0.930 -13.860 -3.066 1.00 0.00 C ATOM 346 C VAL A 25 1.779 -14.892 -2.329 1.00 0.00 C ATOM 347 O VAL A 25 3.008 -14.864 -2.404 1.00 0.00 O ATOM 348 CB VAL A 25 0.377 -12.857 -2.054 1.00 0.00 C ATOM 349 CG1 VAL A 25 1.506 -12.374 -1.141 1.00 0.00 C ATOM 350 CG2 VAL A 25 -0.220 -11.665 -2.798 1.00 0.00 C ATOM 0 H VAL A 25 -1.100 -14.194 -3.499 1.00 0.00 H new ATOM 0 HA VAL A 25 1.559 -13.351 -3.796 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.395 -13.336 -1.452 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.110 -11.659 -0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.934 -13.225 -0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.279 -11.894 -1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.615 -10.948 -2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.553 -11.187 -3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.025 -12.008 -3.448 1.00 0.00 H new ATOM 360 N LEU A 26 1.121 -15.796 -1.613 1.00 0.00 N ATOM 361 CA LEU A 26 1.836 -16.823 -0.865 1.00 0.00 C ATOM 362 C LEU A 26 2.288 -17.944 -1.796 1.00 0.00 C ATOM 363 O LEU A 26 3.149 -18.749 -1.443 1.00 0.00 O ATOM 364 CB LEU A 26 0.950 -17.348 0.286 1.00 0.00 C ATOM 365 CG LEU A 26 0.220 -18.661 -0.074 1.00 0.00 C ATOM 366 CD1 LEU A 26 -0.444 -18.563 -1.449 1.00 0.00 C ATOM 367 CD2 LEU A 26 1.195 -19.846 -0.054 1.00 0.00 C ATOM 0 H LEU A 26 0.105 -15.839 -1.535 1.00 0.00 H new ATOM 0 HA LEU A 26 2.734 -16.390 -0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.568 -17.511 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.214 -16.588 0.548 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.554 -18.824 0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.950 -19.501 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.170 -17.750 -1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.315 -18.368 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.661 -20.761 -0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.990 -19.675 -0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.627 -19.945 0.942 1.00 0.00 H new ATOM 379 N ALA A 27 1.716 -17.983 -2.997 1.00 0.00 N ATOM 380 CA ALA A 27 2.086 -19.004 -3.969 1.00 0.00 C ATOM 381 C ALA A 27 3.547 -18.844 -4.376 1.00 0.00 C ATOM 382 O ALA A 27 4.258 -19.830 -4.572 1.00 0.00 O ATOM 383 CB ALA A 27 1.190 -18.893 -5.204 1.00 0.00 C ATOM 0 H ALA A 27 1.003 -17.327 -3.316 1.00 0.00 H new ATOM 0 HA ALA A 27 1.954 -19.985 -3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.471 -19.659 -5.927 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.149 -19.034 -4.912 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.311 -17.907 -5.654 1.00 0.00 H new ATOM 389 N ASP A 28 3.989 -17.594 -4.495 1.00 0.00 N ATOM 390 CA ASP A 28 5.371 -17.315 -4.872 1.00 0.00 C ATOM 391 C ASP A 28 6.262 -17.260 -3.635 1.00 0.00 C ATOM 392 O ASP A 28 6.151 -16.347 -2.818 1.00 0.00 O ATOM 393 CB ASP A 28 5.448 -15.983 -5.623 1.00 0.00 C ATOM 394 CG ASP A 28 6.873 -15.735 -6.104 1.00 0.00 C ATOM 395 OD1 ASP A 28 7.693 -16.626 -5.952 1.00 0.00 O ATOM 396 OD2 ASP A 28 7.126 -14.656 -6.616 1.00 0.00 O ATOM 0 H ASP A 28 3.415 -16.765 -4.337 1.00 0.00 H new ATOM 0 HA ASP A 28 5.722 -18.117 -5.521 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.766 -15.996 -6.473 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.129 -15.170 -4.971 1.00 0.00 H new ATOM 401 N GLU A 29 7.141 -18.244 -3.504 1.00 0.00 N ATOM 402 CA GLU A 29 8.049 -18.308 -2.364 1.00 0.00 C ATOM 403 C GLU A 29 9.097 -17.198 -2.431 1.00 0.00 C ATOM 404 O GLU A 29 9.655 -16.796 -1.409 1.00 0.00 O ATOM 405 CB GLU A 29 8.744 -19.670 -2.330 1.00 0.00 C ATOM 406 CG GLU A 29 7.698 -20.765 -2.117 1.00 0.00 C ATOM 407 CD GLU A 29 8.378 -22.125 -2.004 1.00 0.00 C ATOM 408 OE1 GLU A 29 9.571 -22.190 -2.246 1.00 0.00 O ATOM 409 OE2 GLU A 29 7.693 -23.082 -1.679 1.00 0.00 O ATOM 0 H GLU A 29 7.246 -19.008 -4.171 1.00 0.00 H new ATOM 0 HA GLU A 29 7.463 -18.172 -1.455 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.281 -19.841 -3.263 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.482 -19.695 -1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.125 -20.560 -1.213 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.992 -20.771 -2.947 1.00 0.00 H new ATOM 416 N ARG A 30 9.376 -16.724 -3.640 1.00 0.00 N ATOM 417 CA ARG A 30 10.378 -15.679 -3.829 1.00 0.00 C ATOM 418 C ARG A 30 10.085 -14.452 -2.966 1.00 0.00 C ATOM 419 O ARG A 30 10.996 -13.880 -2.366 1.00 0.00 O ATOM 420 CB ARG A 30 10.419 -15.266 -5.302 1.00 0.00 C ATOM 421 CG ARG A 30 10.864 -16.455 -6.158 1.00 0.00 C ATOM 422 CD ARG A 30 11.025 -16.007 -7.611 1.00 0.00 C ATOM 423 NE ARG A 30 9.780 -15.430 -8.105 1.00 0.00 N ATOM 424 CZ ARG A 30 8.763 -16.201 -8.479 1.00 0.00 C ATOM 425 NH1 ARG A 30 8.867 -17.500 -8.401 1.00 0.00 N ATOM 426 NH2 ARG A 30 7.661 -15.660 -8.923 1.00 0.00 N ATOM 0 H ARG A 30 8.927 -17.043 -4.499 1.00 0.00 H new ATOM 0 HA ARG A 30 11.343 -16.084 -3.525 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.435 -14.924 -5.621 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.106 -14.431 -5.437 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.807 -16.854 -5.783 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.130 -17.258 -6.093 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.828 -15.274 -7.685 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.311 -16.857 -8.231 1.00 0.00 H new ATOM 0 HE ARG A 30 9.688 -14.416 -8.165 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.728 -17.923 -8.053 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.088 -18.092 -8.688 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.579 -14.645 -8.983 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.882 -16.252 -9.210 1.00 0.00 H new ATOM 440 N VAL A 31 8.821 -14.046 -2.904 1.00 0.00 N ATOM 441 CA VAL A 31 8.448 -12.882 -2.106 1.00 0.00 C ATOM 442 C VAL A 31 8.263 -13.262 -0.641 1.00 0.00 C ATOM 443 O VAL A 31 8.435 -12.433 0.253 1.00 0.00 O ATOM 444 CB VAL A 31 7.155 -12.266 -2.646 1.00 0.00 C ATOM 445 CG1 VAL A 31 7.371 -11.818 -4.092 1.00 0.00 C ATOM 446 CG2 VAL A 31 6.036 -13.307 -2.600 1.00 0.00 C ATOM 0 H VAL A 31 8.046 -14.498 -3.389 1.00 0.00 H new ATOM 0 HA VAL A 31 9.254 -12.151 -2.176 1.00 0.00 H new ATOM 0 HB VAL A 31 6.879 -11.407 -2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.451 -11.379 -4.478 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.170 -11.077 -4.128 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.647 -12.678 -4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.115 -12.869 -2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.312 -14.166 -3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.882 -13.630 -1.570 1.00 0.00 H new ATOM 456 N ASN A 32 7.907 -14.519 -0.402 1.00 0.00 N ATOM 457 CA ASN A 32 7.695 -15.001 0.958 1.00 0.00 C ATOM 458 C ASN A 32 8.941 -14.795 1.815 1.00 0.00 C ATOM 459 O ASN A 32 8.844 -14.622 3.031 1.00 0.00 O ATOM 460 CB ASN A 32 7.325 -16.485 0.941 1.00 0.00 C ATOM 461 CG ASN A 32 5.977 -16.679 0.253 1.00 0.00 C ATOM 462 OD1 ASN A 32 5.251 -15.713 0.024 1.00 0.00 O ATOM 463 ND2 ASN A 32 5.596 -17.880 -0.088 1.00 0.00 N ATOM 0 H ASN A 32 7.760 -15.220 -1.128 1.00 0.00 H new ATOM 0 HA ASN A 32 6.877 -14.427 1.393 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.094 -17.054 0.419 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.281 -16.869 1.960 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.695 -18.019 -0.545 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.199 -18.680 0.103 1.00 0.00 H new ATOM 470 N ARG A 33 10.111 -14.826 1.182 1.00 0.00 N ATOM 471 CA ARG A 33 11.363 -14.651 1.914 1.00 0.00 C ATOM 472 C ARG A 33 11.313 -13.398 2.784 1.00 0.00 C ATOM 473 O ARG A 33 11.786 -13.401 3.921 1.00 0.00 O ATOM 474 CB ARG A 33 12.533 -14.536 0.935 1.00 0.00 C ATOM 475 CG ARG A 33 12.724 -15.863 0.200 1.00 0.00 C ATOM 476 CD ARG A 33 13.965 -15.772 -0.690 1.00 0.00 C ATOM 477 NE ARG A 33 14.106 -16.982 -1.491 1.00 0.00 N ATOM 478 CZ ARG A 33 14.832 -18.013 -1.064 1.00 0.00 C ATOM 479 NH1 ARG A 33 15.424 -17.961 0.098 1.00 0.00 N ATOM 480 NH2 ARG A 33 14.951 -19.079 -1.808 1.00 0.00 N ATOM 0 H ARG A 33 10.219 -14.969 0.178 1.00 0.00 H new ATOM 0 HA ARG A 33 11.503 -15.522 2.554 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.343 -13.737 0.219 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.444 -14.272 1.472 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.835 -16.677 0.917 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.845 -16.088 -0.404 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.889 -14.903 -1.343 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.853 -15.631 -0.074 1.00 0.00 H new ATOM 0 HE ARG A 33 13.639 -17.040 -2.396 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.331 -17.129 0.681 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.980 -18.752 0.423 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.488 -19.122 -2.716 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.507 -19.869 -1.482 1.00 0.00 H new ATOM 494 N PHE A 34 10.742 -12.330 2.243 1.00 0.00 N ATOM 495 CA PHE A 34 10.639 -11.074 2.976 1.00 0.00 C ATOM 496 C PHE A 34 9.613 -11.173 4.104 1.00 0.00 C ATOM 497 O PHE A 34 9.695 -10.444 5.092 1.00 0.00 O ATOM 498 CB PHE A 34 10.243 -9.946 2.022 1.00 0.00 C ATOM 499 CG PHE A 34 11.376 -9.682 1.059 1.00 0.00 C ATOM 500 CD1 PHE A 34 12.429 -8.839 1.434 1.00 0.00 C ATOM 501 CD2 PHE A 34 11.373 -10.278 -0.208 1.00 0.00 C ATOM 502 CE1 PHE A 34 13.481 -8.593 0.543 1.00 0.00 C ATOM 503 CE2 PHE A 34 12.425 -10.031 -1.099 1.00 0.00 C ATOM 504 CZ PHE A 34 13.478 -9.190 -0.724 1.00 0.00 C ATOM 0 H PHE A 34 10.345 -12.307 1.304 1.00 0.00 H new ATOM 0 HA PHE A 34 11.613 -10.860 3.416 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.341 -10.218 1.474 1.00 0.00 H new ATOM 0 HB3 PHE A 34 10.012 -9.042 2.586 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.430 -8.378 2.411 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.560 -10.928 -0.498 1.00 0.00 H new ATOM 0 HE1 PHE A 34 14.294 -7.944 0.833 1.00 0.00 H new ATOM 0 HE2 PHE A 34 12.423 -10.490 -2.076 1.00 0.00 H new ATOM 0 HZ PHE A 34 14.289 -9.001 -1.412 1.00 0.00 H new ATOM 514 N PHE A 35 8.640 -12.064 3.943 1.00 0.00 N ATOM 515 CA PHE A 35 7.594 -12.226 4.950 1.00 0.00 C ATOM 516 C PHE A 35 7.917 -13.359 5.925 1.00 0.00 C ATOM 517 O PHE A 35 7.079 -13.733 6.745 1.00 0.00 O ATOM 518 CB PHE A 35 6.255 -12.502 4.266 1.00 0.00 C ATOM 519 CG PHE A 35 5.863 -11.304 3.435 1.00 0.00 C ATOM 520 CD1 PHE A 35 5.248 -10.203 4.043 1.00 0.00 C ATOM 521 CD2 PHE A 35 6.115 -11.292 2.058 1.00 0.00 C ATOM 522 CE1 PHE A 35 4.885 -9.090 3.274 1.00 0.00 C ATOM 523 CE2 PHE A 35 5.752 -10.179 1.289 1.00 0.00 C ATOM 524 CZ PHE A 35 5.138 -9.078 1.897 1.00 0.00 C ATOM 0 H PHE A 35 8.553 -12.680 3.134 1.00 0.00 H new ATOM 0 HA PHE A 35 7.535 -11.299 5.521 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.332 -13.387 3.635 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.488 -12.708 5.012 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.053 -10.212 5.105 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.589 -12.141 1.589 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.410 -8.241 3.743 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.946 -10.170 0.227 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.859 -8.219 1.304 1.00 0.00 H new ATOM 534 N VAL A 36 9.128 -13.898 5.840 1.00 0.00 N ATOM 535 CA VAL A 36 9.524 -14.981 6.736 1.00 0.00 C ATOM 536 C VAL A 36 9.408 -14.539 8.191 1.00 0.00 C ATOM 537 O VAL A 36 8.969 -15.304 9.050 1.00 0.00 O ATOM 538 CB VAL A 36 10.963 -15.408 6.448 1.00 0.00 C ATOM 539 CG1 VAL A 36 11.457 -16.328 7.566 1.00 0.00 C ATOM 540 CG2 VAL A 36 11.009 -16.162 5.119 1.00 0.00 C ATOM 0 H VAL A 36 9.843 -13.610 5.172 1.00 0.00 H new ATOM 0 HA VAL A 36 8.857 -15.826 6.565 1.00 0.00 H new ATOM 0 HB VAL A 36 11.600 -14.525 6.394 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.483 -16.632 7.360 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.420 -15.797 8.517 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.820 -17.211 7.618 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.034 -16.468 4.910 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.372 -17.044 5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.654 -15.512 4.319 1.00 0.00 H new ATOM 550 N ASN A 37 9.805 -13.300 8.460 1.00 0.00 N ATOM 551 CA ASN A 37 9.741 -12.765 9.815 1.00 0.00 C ATOM 552 C ASN A 37 8.358 -12.188 10.100 1.00 0.00 C ATOM 553 O ASN A 37 8.131 -11.586 11.150 1.00 0.00 O ATOM 554 CB ASN A 37 10.801 -11.676 9.998 1.00 0.00 C ATOM 555 CG ASN A 37 12.191 -12.256 9.757 1.00 0.00 C ATOM 556 OD1 ASN A 37 12.457 -13.402 10.119 1.00 0.00 O ATOM 557 ND2 ASN A 37 13.098 -11.529 9.165 1.00 0.00 N ATOM 0 H ASN A 37 10.172 -12.651 7.763 1.00 0.00 H new ATOM 0 HA ASN A 37 9.932 -13.578 10.515 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.615 -10.856 9.305 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.740 -11.263 11.005 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.030 -11.910 9.001 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.875 -10.580 8.866 1.00 0.00 H new ATOM 564 N THR A 38 7.437 -12.376 9.160 1.00 0.00 N ATOM 565 CA THR A 38 6.078 -11.869 9.323 1.00 0.00 C ATOM 566 C THR A 38 5.075 -13.017 9.303 1.00 0.00 C ATOM 567 O THR A 38 5.196 -13.945 8.504 1.00 0.00 O ATOM 568 CB THR A 38 5.753 -10.881 8.199 1.00 0.00 C ATOM 569 OG1 THR A 38 6.732 -9.853 8.179 1.00 0.00 O ATOM 570 CG2 THR A 38 4.372 -10.267 8.433 1.00 0.00 C ATOM 0 H THR A 38 7.604 -12.871 8.284 1.00 0.00 H new ATOM 0 HA THR A 38 6.010 -11.360 10.284 1.00 0.00 H new ATOM 0 HB THR A 38 5.754 -11.407 7.244 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.527 -9.220 7.459 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.145 -9.565 7.631 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.621 -11.056 8.447 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.364 -9.742 9.388 1.00 0.00 H new ATOM 578 N ASP A 39 4.085 -12.950 10.188 1.00 0.00 N ATOM 579 CA ASP A 39 3.071 -13.994 10.260 1.00 0.00 C ATOM 580 C ASP A 39 2.050 -13.831 9.139 1.00 0.00 C ATOM 581 O ASP A 39 1.911 -12.752 8.562 1.00 0.00 O ATOM 582 CB ASP A 39 2.361 -13.945 11.616 1.00 0.00 C ATOM 583 CG ASP A 39 1.597 -12.636 11.762 1.00 0.00 C ATOM 584 OD1 ASP A 39 1.416 -11.963 10.761 1.00 0.00 O ATOM 585 OD2 ASP A 39 1.204 -12.322 12.875 1.00 0.00 O ATOM 0 H ASP A 39 3.964 -12.191 10.859 1.00 0.00 H new ATOM 0 HA ASP A 39 3.564 -14.959 10.146 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.675 -14.787 11.706 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.090 -14.041 12.420 1.00 0.00 H new ATOM 590 N MET A 40 1.344 -14.913 8.831 1.00 0.00 N ATOM 591 CA MET A 40 0.341 -14.888 7.771 1.00 0.00 C ATOM 592 C MET A 40 -0.761 -13.878 8.079 1.00 0.00 C ATOM 593 O MET A 40 -1.288 -13.232 7.175 1.00 0.00 O ATOM 594 CB MET A 40 -0.275 -16.280 7.607 1.00 0.00 C ATOM 595 CG MET A 40 0.798 -17.259 7.125 1.00 0.00 C ATOM 596 SD MET A 40 0.035 -18.857 6.746 1.00 0.00 S ATOM 597 CE MET A 40 -0.619 -19.200 8.397 1.00 0.00 C ATOM 0 H MET A 40 1.446 -15.815 9.297 1.00 0.00 H new ATOM 0 HA MET A 40 0.834 -14.590 6.846 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.692 -16.619 8.555 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.097 -16.244 6.892 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.295 -16.863 6.240 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.563 -17.382 7.892 1.00 0.00 H new ATOM 0 HE1 MET A 40 -0.682 -20.278 8.547 1.00 0.00 H new ATOM 0 HE2 MET A 40 0.043 -18.768 9.148 1.00 0.00 H new ATOM 0 HE3 MET A 40 -1.612 -18.761 8.493 1.00 0.00 H new ATOM 607 N ALA A 41 -1.112 -13.752 9.354 1.00 0.00 N ATOM 608 CA ALA A 41 -2.165 -12.823 9.753 1.00 0.00 C ATOM 609 C ALA A 41 -1.806 -11.389 9.375 1.00 0.00 C ATOM 610 O ALA A 41 -2.547 -10.726 8.651 1.00 0.00 O ATOM 611 CB ALA A 41 -2.390 -12.911 11.263 1.00 0.00 C ATOM 0 H ALA A 41 -0.689 -14.274 10.122 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.078 -13.100 9.227 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.177 -12.215 11.555 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.686 -13.926 11.528 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.468 -12.654 11.784 1.00 0.00 H new ATOM 617 N LYS A 42 -0.668 -10.916 9.871 1.00 0.00 N ATOM 618 CA LYS A 42 -0.227 -9.557 9.575 1.00 0.00 C ATOM 619 C LYS A 42 -0.014 -9.376 8.074 1.00 0.00 C ATOM 620 O LYS A 42 -0.273 -8.305 7.525 1.00 0.00 O ATOM 621 CB LYS A 42 1.078 -9.253 10.322 1.00 0.00 C ATOM 622 CG LYS A 42 1.465 -7.778 10.142 1.00 0.00 C ATOM 623 CD LYS A 42 0.642 -6.902 11.092 1.00 0.00 C ATOM 624 CE LYS A 42 1.199 -5.477 11.085 1.00 0.00 C ATOM 625 NZ LYS A 42 0.460 -4.650 12.080 1.00 0.00 N ATOM 0 H LYS A 42 -0.039 -11.447 10.474 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.002 -8.865 9.905 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.959 -9.478 11.382 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.877 -9.894 9.948 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.528 -7.645 10.341 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.293 -7.471 9.110 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.404 -6.896 10.784 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.675 -7.312 12.102 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.262 -5.490 11.325 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.102 -5.042 10.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.099 -3.932 12.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.342 -4.180 11.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.107 -5.260 12.845 1.00 0.00 H new ATOM 639 N GLN A 43 0.472 -10.426 7.422 1.00 0.00 N ATOM 640 CA GLN A 43 0.732 -10.370 5.988 1.00 0.00 C ATOM 641 C GLN A 43 -0.515 -9.951 5.214 1.00 0.00 C ATOM 642 O GLN A 43 -0.436 -9.141 4.292 1.00 0.00 O ATOM 643 CB GLN A 43 1.201 -11.738 5.492 1.00 0.00 C ATOM 644 CG GLN A 43 1.666 -11.625 4.039 1.00 0.00 C ATOM 645 CD GLN A 43 2.037 -13.002 3.501 1.00 0.00 C ATOM 646 OE1 GLN A 43 2.333 -13.147 2.315 1.00 0.00 O ATOM 647 NE2 GLN A 43 2.038 -14.029 4.307 1.00 0.00 N ATOM 0 H GLN A 43 0.693 -11.321 7.860 1.00 0.00 H new ATOM 0 HA GLN A 43 1.510 -9.626 5.817 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.015 -12.103 6.118 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.390 -12.462 5.570 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.876 -11.188 3.429 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.525 -10.957 3.974 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.792 -13.907 5.289 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.284 -14.954 3.954 1.00 0.00 H new ATOM 656 N LYS A 44 -1.665 -10.502 5.588 1.00 0.00 N ATOM 657 CA LYS A 44 -2.909 -10.166 4.903 1.00 0.00 C ATOM 658 C LYS A 44 -3.194 -8.671 4.994 1.00 0.00 C ATOM 659 O LYS A 44 -3.719 -8.074 4.054 1.00 0.00 O ATOM 660 CB LYS A 44 -4.077 -10.952 5.503 1.00 0.00 C ATOM 661 CG LYS A 44 -3.889 -12.443 5.216 1.00 0.00 C ATOM 662 CD LYS A 44 -5.191 -13.191 5.508 1.00 0.00 C ATOM 663 CE LYS A 44 -5.486 -13.140 7.008 1.00 0.00 C ATOM 664 NZ LYS A 44 -6.531 -14.148 7.343 1.00 0.00 N ATOM 0 H LYS A 44 -1.762 -11.173 6.350 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.798 -10.436 3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.130 -10.782 6.578 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.019 -10.605 5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.599 -12.589 4.175 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.083 -12.843 5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.013 -12.743 4.950 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.109 -14.227 5.178 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.577 -13.340 7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.824 -12.143 7.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.732 -14.114 8.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.400 -13.937 6.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.192 -15.098 7.089 1.00 0.00 H new ATOM 678 N GLN A 45 -2.847 -8.068 6.125 1.00 0.00 N ATOM 679 CA GLN A 45 -3.075 -6.640 6.313 1.00 0.00 C ATOM 680 C GLN A 45 -2.357 -5.833 5.234 1.00 0.00 C ATOM 681 O GLN A 45 -2.904 -4.866 4.703 1.00 0.00 O ATOM 682 CB GLN A 45 -2.576 -6.205 7.691 1.00 0.00 C ATOM 683 CG GLN A 45 -2.963 -4.746 7.938 1.00 0.00 C ATOM 684 CD GLN A 45 -2.340 -4.252 9.239 1.00 0.00 C ATOM 685 OE1 GLN A 45 -1.118 -4.250 9.381 1.00 0.00 O ATOM 686 NE2 GLN A 45 -3.113 -3.832 10.203 1.00 0.00 N ATOM 0 H GLN A 45 -2.411 -8.539 6.918 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.146 -6.453 6.239 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.007 -6.842 8.463 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.494 -6.320 7.750 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.627 -4.127 7.106 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.048 -4.653 7.987 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.126 -3.835 10.082 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.704 -3.501 11.077 1.00 0.00 H new ATOM 695 N HIS A 46 -1.131 -6.237 4.916 1.00 0.00 N ATOM 696 CA HIS A 46 -0.349 -5.540 3.898 1.00 0.00 C ATOM 697 C HIS A 46 -1.037 -5.623 2.540 1.00 0.00 C ATOM 698 O HIS A 46 -1.171 -4.621 1.838 1.00 0.00 O ATOM 699 CB HIS A 46 1.050 -6.153 3.803 1.00 0.00 C ATOM 700 CG HIS A 46 1.914 -5.305 2.912 1.00 0.00 C ATOM 701 ND1 HIS A 46 2.030 -5.539 1.550 1.00 0.00 N ATOM 702 CD2 HIS A 46 2.717 -4.221 3.174 1.00 0.00 C ATOM 703 CE1 HIS A 46 2.874 -4.619 1.050 1.00 0.00 C ATOM 704 NE2 HIS A 46 3.323 -3.790 1.996 1.00 0.00 N ATOM 0 H HIS A 46 -0.660 -7.035 5.343 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.268 -4.492 4.186 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.494 -6.225 4.796 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.987 -7.167 3.408 1.00 0.00 H new ATOM 0 HD1 HIS A 46 1.560 -6.275 1.023 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.857 -3.771 4.146 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.155 -4.558 0.009 1.00 0.00 H new ATOM 712 N GLN A 47 -1.470 -6.827 2.175 1.00 0.00 N ATOM 713 CA GLN A 47 -2.143 -7.031 0.897 1.00 0.00 C ATOM 714 C GLN A 47 -3.425 -6.209 0.819 1.00 0.00 C ATOM 715 O GLN A 47 -3.751 -5.654 -0.231 1.00 0.00 O ATOM 716 CB GLN A 47 -2.473 -8.514 0.712 1.00 0.00 C ATOM 717 CG GLN A 47 -1.196 -9.299 0.389 1.00 0.00 C ATOM 718 CD GLN A 47 0.018 -8.635 1.031 1.00 0.00 C ATOM 719 OE1 GLN A 47 0.547 -7.657 0.503 1.00 0.00 O ATOM 720 NE2 GLN A 47 0.499 -9.117 2.143 1.00 0.00 N ATOM 0 H GLN A 47 -1.368 -7.669 2.741 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.472 -6.704 0.103 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.933 -8.908 1.618 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.198 -8.636 -0.093 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.291 -10.323 0.750 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.059 -9.353 -0.691 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.060 -9.927 2.580 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.314 -8.684 2.576 1.00 0.00 H new ATOM 729 N LYS A 48 -4.150 -6.131 1.930 1.00 0.00 N ATOM 730 CA LYS A 48 -5.391 -5.367 1.958 1.00 0.00 C ATOM 731 C LYS A 48 -5.119 -3.900 1.646 1.00 0.00 C ATOM 732 O LYS A 48 -5.778 -3.302 0.796 1.00 0.00 O ATOM 733 CB LYS A 48 -6.045 -5.485 3.336 1.00 0.00 C ATOM 734 CG LYS A 48 -7.407 -4.788 3.319 1.00 0.00 C ATOM 735 CD LYS A 48 -8.025 -4.842 4.717 1.00 0.00 C ATOM 736 CE LYS A 48 -9.448 -4.281 4.669 1.00 0.00 C ATOM 737 NZ LYS A 48 -10.274 -5.097 3.736 1.00 0.00 N ATOM 0 H LYS A 48 -3.904 -6.581 2.812 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.064 -5.771 1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.166 -6.535 3.604 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.404 -5.034 4.094 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.293 -3.752 3.000 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.067 -5.273 2.599 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.040 -5.870 5.080 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.419 -4.266 5.416 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.888 -4.293 5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.429 -3.242 4.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.281 -4.964 3.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.092 -4.796 2.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.026 -6.102 3.841 1.00 0.00 H new ATOM 751 N ASP A 49 -4.136 -3.329 2.336 1.00 0.00 N ATOM 752 CA ASP A 49 -3.774 -1.933 2.121 1.00 0.00 C ATOM 753 C ASP A 49 -3.164 -1.743 0.737 1.00 0.00 C ATOM 754 O ASP A 49 -3.382 -0.722 0.085 1.00 0.00 O ATOM 755 CB ASP A 49 -2.776 -1.482 3.188 1.00 0.00 C ATOM 756 CG ASP A 49 -3.440 -1.491 4.561 1.00 0.00 C ATOM 757 OD1 ASP A 49 -4.656 -1.570 4.608 1.00 0.00 O ATOM 758 OD2 ASP A 49 -2.722 -1.418 5.545 1.00 0.00 O ATOM 0 H ASP A 49 -3.580 -3.808 3.044 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.678 -1.329 2.191 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.909 -2.143 3.190 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.412 -0.481 2.957 1.00 0.00 H new ATOM 763 N PHE A 50 -2.389 -2.731 0.299 1.00 0.00 N ATOM 764 CA PHE A 50 -1.739 -2.662 -1.004 1.00 0.00 C ATOM 765 C PHE A 50 -2.764 -2.493 -2.121 1.00 0.00 C ATOM 766 O PHE A 50 -2.616 -1.628 -2.984 1.00 0.00 O ATOM 767 CB PHE A 50 -0.928 -3.936 -1.246 1.00 0.00 C ATOM 768 CG PHE A 50 -0.155 -3.808 -2.538 1.00 0.00 C ATOM 769 CD1 PHE A 50 1.106 -3.198 -2.541 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.698 -4.300 -3.730 1.00 0.00 C ATOM 771 CE1 PHE A 50 1.822 -3.079 -3.738 1.00 0.00 C ATOM 772 CE2 PHE A 50 0.019 -4.181 -4.928 1.00 0.00 C ATOM 773 CZ PHE A 50 1.280 -3.571 -4.931 1.00 0.00 C ATOM 0 H PHE A 50 -2.197 -3.584 0.824 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.077 -1.796 -1.008 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.242 -4.106 -0.416 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.593 -4.799 -1.292 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.526 -2.820 -1.620 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.670 -4.771 -3.727 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.793 -2.607 -3.741 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.400 -4.559 -5.849 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.834 -3.480 -5.854 1.00 0.00 H new ATOM 783 N MET A 51 -3.802 -3.324 -2.105 1.00 0.00 N ATOM 784 CA MET A 51 -4.836 -3.247 -3.132 1.00 0.00 C ATOM 785 C MET A 51 -5.557 -1.904 -3.079 1.00 0.00 C ATOM 786 O MET A 51 -5.829 -1.298 -4.115 1.00 0.00 O ATOM 787 CB MET A 51 -5.849 -4.381 -2.948 1.00 0.00 C ATOM 788 CG MET A 51 -6.879 -4.336 -4.082 1.00 0.00 C ATOM 789 SD MET A 51 -8.141 -5.605 -3.808 1.00 0.00 S ATOM 790 CE MET A 51 -7.128 -7.032 -4.264 1.00 0.00 C ATOM 0 H MET A 51 -3.949 -4.049 -1.403 1.00 0.00 H new ATOM 0 HA MET A 51 -4.354 -3.346 -4.105 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.337 -5.343 -2.946 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.349 -4.283 -1.984 1.00 0.00 H new ATOM 0 HG2 MET A 51 -7.343 -3.351 -4.126 1.00 0.00 H new ATOM 0 HG3 MET A 51 -6.387 -4.500 -5.041 1.00 0.00 H new ATOM 0 HE1 MET A 51 -7.775 -7.873 -4.512 1.00 0.00 H new ATOM 0 HE2 MET A 51 -6.513 -6.780 -5.128 1.00 0.00 H new ATOM 0 HE3 MET A 51 -6.484 -7.304 -3.427 1.00 0.00 H new ATOM 800 N THR A 52 -5.864 -1.442 -1.872 1.00 0.00 N ATOM 801 CA THR A 52 -6.555 -0.168 -1.715 1.00 0.00 C ATOM 802 C THR A 52 -5.719 0.969 -2.292 1.00 0.00 C ATOM 803 O THR A 52 -6.236 1.843 -2.987 1.00 0.00 O ATOM 804 CB THR A 52 -6.831 0.098 -0.233 1.00 0.00 C ATOM 805 OG1 THR A 52 -7.538 -1.004 0.320 1.00 0.00 O ATOM 806 CG2 THR A 52 -7.668 1.369 -0.087 1.00 0.00 C ATOM 0 H THR A 52 -5.649 -1.923 -0.999 1.00 0.00 H new ATOM 0 HA THR A 52 -7.500 -0.219 -2.256 1.00 0.00 H new ATOM 0 HB THR A 52 -5.886 0.227 0.295 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.911 -1.734 0.508 1.00 0.00 H new ATOM 0 HG21 THR A 52 -7.863 1.557 0.969 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.124 2.213 -0.511 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.614 1.244 -0.614 1.00 0.00 H new ATOM 814 N TYR A 53 -4.423 0.947 -1.999 1.00 0.00 N ATOM 815 CA TYR A 53 -3.519 1.978 -2.494 1.00 0.00 C ATOM 816 C TYR A 53 -3.419 1.925 -4.016 1.00 0.00 C ATOM 817 O TYR A 53 -3.365 2.959 -4.681 1.00 0.00 O ATOM 818 CB TYR A 53 -2.130 1.793 -1.879 1.00 0.00 C ATOM 819 CG TYR A 53 -1.241 2.943 -2.289 1.00 0.00 C ATOM 820 CD1 TYR A 53 -1.260 4.136 -1.558 1.00 0.00 C ATOM 821 CD2 TYR A 53 -0.398 2.815 -3.398 1.00 0.00 C ATOM 822 CE1 TYR A 53 -0.436 5.203 -1.935 1.00 0.00 C ATOM 823 CE2 TYR A 53 0.427 3.882 -3.777 1.00 0.00 C ATOM 824 CZ TYR A 53 0.407 5.076 -3.046 1.00 0.00 C ATOM 825 OH TYR A 53 1.220 6.126 -3.419 1.00 0.00 O ATOM 0 H TYR A 53 -3.977 0.231 -1.425 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.917 2.951 -2.206 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.205 1.747 -0.793 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.697 0.849 -2.209 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.911 4.234 -0.702 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.383 1.894 -3.962 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.450 6.123 -1.370 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.078 3.784 -4.633 1.00 0.00 H new ATOM 0 HH TYR A 53 1.741 5.872 -4.209 1.00 0.00 H new ATOM 835 N ALA A 54 -3.389 0.711 -4.559 1.00 0.00 N ATOM 836 CA ALA A 54 -3.286 0.533 -6.004 1.00 0.00 C ATOM 837 C ALA A 54 -4.473 1.176 -6.714 1.00 0.00 C ATOM 838 O ALA A 54 -4.340 1.682 -7.827 1.00 0.00 O ATOM 839 CB ALA A 54 -3.232 -0.958 -6.344 1.00 0.00 C ATOM 0 H ALA A 54 -3.434 -0.157 -4.025 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.371 1.018 -6.344 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.155 -1.082 -7.424 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.364 -1.409 -5.864 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.139 -1.446 -5.986 1.00 0.00 H new ATOM 845 N PHE A 55 -5.631 1.154 -6.063 1.00 0.00 N ATOM 846 CA PHE A 55 -6.834 1.741 -6.645 1.00 0.00 C ATOM 847 C PHE A 55 -6.786 3.262 -6.556 1.00 0.00 C ATOM 848 O PHE A 55 -7.725 3.947 -6.963 1.00 0.00 O ATOM 849 CB PHE A 55 -8.076 1.220 -5.920 1.00 0.00 C ATOM 850 CG PHE A 55 -8.484 -0.111 -6.507 1.00 0.00 C ATOM 851 CD1 PHE A 55 -7.551 -1.149 -6.610 1.00 0.00 C ATOM 852 CD2 PHE A 55 -9.798 -0.305 -6.950 1.00 0.00 C ATOM 853 CE1 PHE A 55 -7.931 -2.381 -7.156 1.00 0.00 C ATOM 854 CE2 PHE A 55 -10.178 -1.537 -7.495 1.00 0.00 C ATOM 855 CZ PHE A 55 -9.245 -2.576 -7.598 1.00 0.00 C ATOM 0 H PHE A 55 -5.763 0.740 -5.140 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.883 1.453 -7.695 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.869 1.111 -4.855 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.892 1.936 -6.015 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.537 -1.000 -6.268 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.518 0.496 -6.871 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.210 -3.181 -7.236 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -11.192 -1.686 -7.836 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.539 -3.527 -8.018 1.00 0.00 H new ATOM 865 N GLY A 56 -5.688 3.786 -6.020 1.00 0.00 N ATOM 866 CA GLY A 56 -5.532 5.230 -5.884 1.00 0.00 C ATOM 867 C GLY A 56 -5.949 5.694 -4.493 1.00 0.00 C ATOM 868 O GLY A 56 -6.008 6.893 -4.220 1.00 0.00 O ATOM 0 H GLY A 56 -4.900 3.238 -5.676 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.494 5.506 -6.068 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.135 5.737 -6.637 1.00 0.00 H new ATOM 872 N GLY A 57 -6.237 4.736 -3.619 1.00 0.00 N ATOM 873 CA GLY A 57 -6.647 5.054 -2.256 1.00 0.00 C ATOM 874 C GLY A 57 -5.493 5.669 -1.471 1.00 0.00 C ATOM 875 O GLY A 57 -5.050 5.115 -0.465 1.00 0.00 O ATOM 0 H GLY A 57 -6.195 3.739 -3.828 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.488 5.747 -2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.992 4.149 -1.755 1.00 0.00 H new ATOM 879 N THR A 58 -5.010 6.817 -1.936 1.00 0.00 N ATOM 880 CA THR A 58 -3.905 7.494 -1.268 1.00 0.00 C ATOM 881 C THR A 58 -4.322 7.946 0.127 1.00 0.00 C ATOM 882 O THR A 58 -3.488 8.070 1.023 1.00 0.00 O ATOM 883 CB THR A 58 -3.463 8.707 -2.088 1.00 0.00 C ATOM 884 OG1 THR A 58 -4.510 9.667 -2.114 1.00 0.00 O ATOM 885 CG2 THR A 58 -3.135 8.270 -3.516 1.00 0.00 C ATOM 0 H THR A 58 -5.363 7.294 -2.765 1.00 0.00 H new ATOM 0 HA THR A 58 -3.074 6.794 -1.179 1.00 0.00 H new ATOM 0 HB THR A 58 -2.576 9.148 -1.633 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.227 10.445 -2.638 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.820 9.136 -4.098 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.331 7.535 -3.496 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.020 7.827 -3.973 1.00 0.00 H new ATOM 893 N ASP A 59 -5.619 8.190 0.300 1.00 0.00 N ATOM 894 CA ASP A 59 -6.149 8.627 1.589 1.00 0.00 C ATOM 895 C ASP A 59 -5.141 9.506 2.323 1.00 0.00 C ATOM 896 O ASP A 59 -5.163 10.730 2.197 1.00 0.00 O ATOM 897 CB ASP A 59 -6.490 7.411 2.450 1.00 0.00 C ATOM 898 CG ASP A 59 -7.645 6.636 1.824 1.00 0.00 C ATOM 899 OD1 ASP A 59 -8.279 7.175 0.931 1.00 0.00 O ATOM 900 OD2 ASP A 59 -7.878 5.515 2.246 1.00 0.00 O ATOM 0 H ASP A 59 -6.321 8.093 -0.434 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.051 9.211 1.407 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.617 6.765 2.544 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.759 7.732 3.456 1.00 0.00 H new ATOM 905 N ARG A 60 -4.258 8.874 3.090 1.00 0.00 N ATOM 906 CA ARG A 60 -3.247 9.611 3.838 1.00 0.00 C ATOM 907 C ARG A 60 -2.201 8.659 4.412 1.00 0.00 C ATOM 908 O ARG A 60 -1.004 8.944 4.376 1.00 0.00 O ATOM 909 CB ARG A 60 -3.907 10.391 4.977 1.00 0.00 C ATOM 910 CG ARG A 60 -2.857 11.250 5.685 1.00 0.00 C ATOM 911 CD ARG A 60 -3.495 11.946 6.888 1.00 0.00 C ATOM 912 NE ARG A 60 -4.582 12.814 6.450 1.00 0.00 N ATOM 913 CZ ARG A 60 -4.336 13.984 5.871 1.00 0.00 C ATOM 914 NH1 ARG A 60 -3.105 14.373 5.685 1.00 0.00 N ATOM 915 NH2 ARG A 60 -5.326 14.744 5.488 1.00 0.00 N ATOM 0 H ARG A 60 -4.222 7.862 3.209 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.754 10.305 3.157 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.704 11.023 4.585 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.366 9.702 5.686 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.023 10.629 6.011 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.452 11.991 4.995 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.874 11.202 7.589 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.744 12.531 7.419 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.548 12.518 6.591 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.332 13.779 5.984 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.916 15.271 5.240 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.289 14.439 5.633 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.137 15.642 5.043 1.00 0.00 H new ATOM 929 N PHE A 61 -2.662 7.531 4.942 1.00 0.00 N ATOM 930 CA PHE A 61 -1.754 6.548 5.523 1.00 0.00 C ATOM 931 C PHE A 61 -0.896 7.195 6.610 1.00 0.00 C ATOM 932 O PHE A 61 -0.686 8.407 6.602 1.00 0.00 O ATOM 933 CB PHE A 61 -0.856 5.961 4.431 1.00 0.00 C ATOM 934 CG PHE A 61 -1.517 4.739 3.843 1.00 0.00 C ATOM 935 CD1 PHE A 61 -2.685 4.872 3.082 1.00 0.00 C ATOM 936 CD2 PHE A 61 -0.964 3.470 4.058 1.00 0.00 C ATOM 937 CE1 PHE A 61 -3.299 3.738 2.537 1.00 0.00 C ATOM 938 CE2 PHE A 61 -1.578 2.336 3.512 1.00 0.00 C ATOM 939 CZ PHE A 61 -2.746 2.471 2.751 1.00 0.00 C ATOM 0 H PHE A 61 -3.649 7.276 4.982 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.343 5.748 5.972 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.679 6.703 3.652 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.116 5.698 4.847 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.112 5.850 2.915 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.064 3.366 4.645 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.200 3.841 1.951 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -1.151 1.358 3.678 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.220 1.597 2.329 1.00 0.00 H new ATOM 949 N PRO A 62 -0.398 6.416 7.538 1.00 0.00 N ATOM 950 CA PRO A 62 0.451 6.935 8.645 1.00 0.00 C ATOM 951 C PRO A 62 1.472 7.960 8.155 1.00 0.00 C ATOM 952 O PRO A 62 2.027 7.825 7.065 1.00 0.00 O ATOM 953 CB PRO A 62 1.154 5.688 9.179 1.00 0.00 C ATOM 954 CG PRO A 62 0.263 4.537 8.836 1.00 0.00 C ATOM 955 CD PRO A 62 -0.594 4.959 7.638 1.00 0.00 C ATOM 0 HA PRO A 62 -0.138 7.456 9.400 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.138 5.569 8.725 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.306 5.757 10.256 1.00 0.00 H new ATOM 0 HG2 PRO A 62 0.854 3.654 8.593 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -0.368 4.274 9.685 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.278 4.453 6.726 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.644 4.710 7.794 1.00 0.00 H new ATOM 963 N GLY A 63 1.712 8.983 8.970 1.00 0.00 N ATOM 964 CA GLY A 63 2.666 10.025 8.612 1.00 0.00 C ATOM 965 C GLY A 63 4.098 9.561 8.859 1.00 0.00 C ATOM 966 O GLY A 63 5.050 10.309 8.637 1.00 0.00 O ATOM 0 H GLY A 63 1.262 9.112 9.876 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.542 10.292 7.562 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.465 10.924 9.195 1.00 0.00 H new ATOM 970 N ARG A 64 4.241 8.323 9.317 1.00 0.00 N ATOM 971 CA ARG A 64 5.562 7.771 9.589 1.00 0.00 C ATOM 972 C ARG A 64 6.310 7.532 8.281 1.00 0.00 C ATOM 973 O ARG A 64 5.711 7.145 7.277 1.00 0.00 O ATOM 974 CB ARG A 64 5.426 6.450 10.354 1.00 0.00 C ATOM 975 CG ARG A 64 6.789 6.018 10.908 1.00 0.00 C ATOM 976 CD ARG A 64 7.048 6.713 12.250 1.00 0.00 C ATOM 977 NE ARG A 64 8.347 6.318 12.780 1.00 0.00 N ATOM 978 CZ ARG A 64 8.621 6.428 14.076 1.00 0.00 C ATOM 979 NH1 ARG A 64 7.719 6.895 14.895 1.00 0.00 N ATOM 980 NH2 ARG A 64 9.791 6.071 14.529 1.00 0.00 N ATOM 0 H ARG A 64 3.466 7.687 9.506 1.00 0.00 H new ATOM 0 HA ARG A 64 6.123 8.482 10.195 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.713 6.566 11.170 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.032 5.677 9.694 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.813 4.936 11.038 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.577 6.271 10.199 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.014 7.795 12.120 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.263 6.452 12.960 1.00 0.00 H new ATOM 0 HE ARG A 64 9.057 5.951 12.146 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.805 7.175 14.541 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.928 6.980 15.890 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.497 5.707 13.889 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.000 6.156 15.524 1.00 0.00 H new ATOM 994 N SER A 65 7.616 7.769 8.295 1.00 0.00 N ATOM 995 CA SER A 65 8.424 7.578 7.096 1.00 0.00 C ATOM 996 C SER A 65 8.211 6.181 6.522 1.00 0.00 C ATOM 997 O SER A 65 8.599 5.184 7.130 1.00 0.00 O ATOM 998 CB SER A 65 9.903 7.775 7.429 1.00 0.00 C ATOM 999 OG SER A 65 10.264 6.906 8.495 1.00 0.00 O ATOM 0 H SER A 65 8.134 8.090 9.113 1.00 0.00 H new ATOM 0 HA SER A 65 8.117 8.313 6.352 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.516 7.568 6.552 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.089 8.811 7.710 1.00 0.00 H new ATOM 0 HG SER A 65 11.075 7.242 8.931 1.00 0.00 H new ATOM 1005 N MET A 66 7.594 6.118 5.346 1.00 0.00 N ATOM 1006 CA MET A 66 7.337 4.837 4.697 1.00 0.00 C ATOM 1007 C MET A 66 8.646 4.113 4.400 1.00 0.00 C ATOM 1008 O MET A 66 8.728 2.890 4.510 1.00 0.00 O ATOM 1009 CB MET A 66 6.566 5.056 3.393 1.00 0.00 C ATOM 1010 CG MET A 66 5.165 5.583 3.708 1.00 0.00 C ATOM 1011 SD MET A 66 4.206 4.289 4.535 1.00 0.00 S ATOM 1012 CE MET A 66 3.604 5.288 5.919 1.00 0.00 C ATOM 0 H MET A 66 7.265 6.932 4.827 1.00 0.00 H new ATOM 0 HA MET A 66 6.741 4.223 5.373 1.00 0.00 H new ATOM 0 HB2 MET A 66 7.098 5.765 2.759 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.497 4.121 2.838 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.231 6.465 4.345 1.00 0.00 H new ATOM 0 HG3 MET A 66 4.665 5.890 2.789 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.576 5.008 6.150 1.00 0.00 H new ATOM 0 HE2 MET A 66 4.233 5.116 6.793 1.00 0.00 H new ATOM 0 HE3 MET A 66 3.640 6.343 5.649 1.00 0.00 H new ATOM 1022 N ARG A 67 9.665 4.876 4.023 1.00 0.00 N ATOM 1023 CA ARG A 67 10.966 4.295 3.710 1.00 0.00 C ATOM 1024 C ARG A 67 11.527 3.550 4.917 1.00 0.00 C ATOM 1025 O ARG A 67 12.142 2.495 4.773 1.00 0.00 O ATOM 1026 CB ARG A 67 11.943 5.396 3.292 1.00 0.00 C ATOM 1027 CG ARG A 67 11.448 6.056 2.004 1.00 0.00 C ATOM 1028 CD ARG A 67 12.477 7.085 1.532 1.00 0.00 C ATOM 1029 NE ARG A 67 11.929 7.880 0.438 1.00 0.00 N ATOM 1030 CZ ARG A 67 11.244 8.994 0.675 1.00 0.00 C ATOM 1031 NH1 ARG A 67 11.048 9.395 1.901 1.00 0.00 N ATOM 1032 NH2 ARG A 67 10.765 9.688 -0.323 1.00 0.00 N ATOM 0 H ARG A 67 9.617 5.890 3.927 1.00 0.00 H new ATOM 0 HA ARG A 67 10.838 3.590 2.889 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.030 6.140 4.084 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.937 4.976 3.139 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.292 5.302 1.233 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.487 6.540 2.176 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.757 7.736 2.360 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.385 6.578 1.204 1.00 0.00 H new ATOM 0 HE ARG A 67 12.074 7.576 -0.525 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.421 8.853 2.681 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.522 10.250 2.080 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.917 9.375 -1.282 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.239 10.543 -0.143 1.00 0.00 H new ATOM 1046 N ALA A 68 11.311 4.108 6.104 1.00 0.00 N ATOM 1047 CA ALA A 68 11.805 3.489 7.329 1.00 0.00 C ATOM 1048 C ALA A 68 11.215 2.094 7.505 1.00 0.00 C ATOM 1049 O ALA A 68 11.884 1.184 7.995 1.00 0.00 O ATOM 1050 CB ALA A 68 11.439 4.355 8.536 1.00 0.00 C ATOM 0 H ALA A 68 10.801 4.981 6.244 1.00 0.00 H new ATOM 0 HA ALA A 68 12.889 3.404 7.256 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.811 3.886 9.447 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.889 5.342 8.426 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.355 4.455 8.597 1.00 0.00 H new ATOM 1056 N ALA A 69 9.961 1.930 7.101 1.00 0.00 N ATOM 1057 CA ALA A 69 9.295 0.638 7.221 1.00 0.00 C ATOM 1058 C ALA A 69 10.004 -0.412 6.371 1.00 0.00 C ATOM 1059 O ALA A 69 10.110 -1.574 6.764 1.00 0.00 O ATOM 1060 CB ALA A 69 7.838 0.757 6.774 1.00 0.00 C ATOM 0 H ALA A 69 9.389 2.668 6.691 1.00 0.00 H new ATOM 0 HA ALA A 69 9.331 0.329 8.266 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.349 -0.212 6.867 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.323 1.485 7.401 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.802 1.084 5.735 1.00 0.00 H new ATOM 1066 N HIS A 70 10.483 0.004 5.204 1.00 0.00 N ATOM 1067 CA HIS A 70 11.176 -0.913 4.306 1.00 0.00 C ATOM 1068 C HIS A 70 12.691 -0.765 4.439 1.00 0.00 C ATOM 1069 O HIS A 70 13.449 -1.597 3.938 1.00 0.00 O ATOM 1070 CB HIS A 70 10.757 -0.636 2.860 1.00 0.00 C ATOM 1071 CG HIS A 70 9.280 -0.886 2.709 1.00 0.00 C ATOM 1072 ND1 HIS A 70 8.341 0.122 2.870 1.00 0.00 N ATOM 1073 CD2 HIS A 70 8.566 -2.019 2.408 1.00 0.00 C ATOM 1074 CE1 HIS A 70 7.126 -0.420 2.666 1.00 0.00 C ATOM 1075 NE2 HIS A 70 7.205 -1.723 2.382 1.00 0.00 N ATOM 0 H HIS A 70 10.406 0.961 4.860 1.00 0.00 H new ATOM 0 HA HIS A 70 10.903 -1.933 4.578 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.991 0.395 2.593 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.317 -1.277 2.179 1.00 0.00 H new ATOM 0 HD1 HIS A 70 8.536 1.096 3.101 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.994 -2.992 2.220 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.199 0.132 2.725 1.00 0.00 H new ATOM 1083 N GLN A 71 13.126 0.297 5.112 1.00 0.00 N ATOM 1084 CA GLN A 71 14.555 0.537 5.298 1.00 0.00 C ATOM 1085 C GLN A 71 15.211 -0.631 6.027 1.00 0.00 C ATOM 1086 O GLN A 71 16.331 -1.025 5.704 1.00 0.00 O ATOM 1087 CB GLN A 71 14.774 1.822 6.099 1.00 0.00 C ATOM 1088 CG GLN A 71 16.270 2.137 6.165 1.00 0.00 C ATOM 1089 CD GLN A 71 16.507 3.362 7.042 1.00 0.00 C ATOM 1090 OE1 GLN A 71 16.241 4.488 6.623 1.00 0.00 O ATOM 1091 NE2 GLN A 71 16.997 3.208 8.242 1.00 0.00 N ATOM 0 H GLN A 71 12.517 0.999 5.534 1.00 0.00 H new ATOM 0 HA GLN A 71 15.011 0.639 4.313 1.00 0.00 H new ATOM 0 HB2 GLN A 71 14.238 2.649 5.633 1.00 0.00 H new ATOM 0 HB3 GLN A 71 14.371 1.708 7.105 1.00 0.00 H new ATOM 0 HG2 GLN A 71 16.813 1.281 6.567 1.00 0.00 H new ATOM 0 HG3 GLN A 71 16.657 2.317 5.162 1.00 0.00 H new ATOM 0 HE21 GLN A 71 17.217 2.274 8.587 1.00 0.00 H new ATOM 0 HE22 GLN A 71 17.160 4.022 8.835 1.00 0.00 H new ATOM 1100 N ASP A 72 14.509 -1.177 7.013 1.00 0.00 N ATOM 1101 CA ASP A 72 15.041 -2.296 7.783 1.00 0.00 C ATOM 1102 C ASP A 72 15.374 -3.469 6.868 1.00 0.00 C ATOM 1103 O ASP A 72 16.387 -4.143 7.053 1.00 0.00 O ATOM 1104 CB ASP A 72 14.019 -2.741 8.831 1.00 0.00 C ATOM 1105 CG ASP A 72 13.841 -1.650 9.881 1.00 0.00 C ATOM 1106 OD1 ASP A 72 14.648 -0.735 9.901 1.00 0.00 O ATOM 1107 OD2 ASP A 72 12.899 -1.746 10.652 1.00 0.00 O ATOM 0 H ASP A 72 13.579 -0.867 7.297 1.00 0.00 H new ATOM 0 HA ASP A 72 15.954 -1.967 8.280 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.064 -2.955 8.352 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.351 -3.664 9.306 1.00 0.00 H new ATOM 1112 N LEU A 73 14.515 -3.708 5.883 1.00 0.00 N ATOM 1113 CA LEU A 73 14.731 -4.806 4.948 1.00 0.00 C ATOM 1114 C LEU A 73 16.010 -4.589 4.146 1.00 0.00 C ATOM 1115 O LEU A 73 16.751 -5.534 3.875 1.00 0.00 O ATOM 1116 CB LEU A 73 13.540 -4.917 3.993 1.00 0.00 C ATOM 1117 CG LEU A 73 12.253 -5.101 4.798 1.00 0.00 C ATOM 1118 CD1 LEU A 73 11.070 -5.253 3.840 1.00 0.00 C ATOM 1119 CD2 LEU A 73 12.365 -6.355 5.667 1.00 0.00 C ATOM 0 H LEU A 73 13.670 -3.162 5.712 1.00 0.00 H new ATOM 0 HA LEU A 73 14.829 -5.729 5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.470 -4.021 3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.681 -5.759 3.316 1.00 0.00 H new ATOM 0 HG LEU A 73 12.099 -4.230 5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.152 -5.384 4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.986 -4.360 3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.227 -6.123 3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.447 -6.484 6.240 1.00 0.00 H new ATOM 0 HD22 LEU A 73 12.521 -7.226 5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.207 -6.250 6.351 1.00 0.00 H new ATOM 1131 N VAL A 74 16.262 -3.340 3.767 1.00 0.00 N ATOM 1132 CA VAL A 74 17.456 -3.014 2.993 1.00 0.00 C ATOM 1133 C VAL A 74 18.719 -3.273 3.808 1.00 0.00 C ATOM 1134 O VAL A 74 19.709 -3.787 3.289 1.00 0.00 O ATOM 1135 CB VAL A 74 17.418 -1.546 2.566 1.00 0.00 C ATOM 1136 CG1 VAL A 74 18.743 -1.176 1.898 1.00 0.00 C ATOM 1137 CG2 VAL A 74 16.272 -1.333 1.576 1.00 0.00 C ATOM 0 H VAL A 74 15.662 -2.543 3.980 1.00 0.00 H new ATOM 0 HA VAL A 74 17.473 -3.652 2.109 1.00 0.00 H new ATOM 0 HB VAL A 74 17.264 -0.916 3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.717 -0.130 1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.561 -1.329 2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.897 -1.806 1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 74 16.244 -0.287 1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 74 16.427 -1.962 0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 74 15.327 -1.598 2.051 1.00 0.00 H new ATOM 1147 N GLU A 75 18.678 -2.908 5.085 1.00 0.00 N ATOM 1148 CA GLU A 75 19.828 -3.100 5.961 1.00 0.00 C ATOM 1149 C GLU A 75 20.156 -4.583 6.110 1.00 0.00 C ATOM 1150 O GLU A 75 21.322 -4.961 6.212 1.00 0.00 O ATOM 1151 CB GLU A 75 19.540 -2.499 7.338 1.00 0.00 C ATOM 1152 CG GLU A 75 19.391 -0.981 7.212 1.00 0.00 C ATOM 1153 CD GLU A 75 19.157 -0.363 8.586 1.00 0.00 C ATOM 1154 OE1 GLU A 75 18.933 -1.114 9.522 1.00 0.00 O ATOM 1155 OE2 GLU A 75 19.206 0.852 8.683 1.00 0.00 O ATOM 0 H GLU A 75 17.868 -2.481 5.534 1.00 0.00 H new ATOM 0 HA GLU A 75 20.685 -2.597 5.514 1.00 0.00 H new ATOM 0 HB2 GLU A 75 18.629 -2.931 7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 75 20.349 -2.740 8.028 1.00 0.00 H new ATOM 0 HG2 GLU A 75 20.288 -0.556 6.761 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.558 -0.743 6.551 1.00 0.00 H new ATOM 1162 N ASN A 76 19.122 -5.417 6.129 1.00 0.00 N ATOM 1163 CA ASN A 76 19.321 -6.855 6.273 1.00 0.00 C ATOM 1164 C ASN A 76 19.418 -7.535 4.910 1.00 0.00 C ATOM 1165 O ASN A 76 20.437 -8.143 4.581 1.00 0.00 O ATOM 1166 CB ASN A 76 18.161 -7.462 7.066 1.00 0.00 C ATOM 1167 CG ASN A 76 18.139 -6.886 8.478 1.00 0.00 C ATOM 1168 OD1 ASN A 76 19.139 -6.342 8.943 1.00 0.00 O ATOM 1169 ND2 ASN A 76 17.049 -6.975 9.191 1.00 0.00 N ATOM 0 H ASN A 76 18.148 -5.127 6.047 1.00 0.00 H new ATOM 0 HA ASN A 76 20.257 -7.017 6.807 1.00 0.00 H new ATOM 0 HB2 ASN A 76 17.217 -7.252 6.564 1.00 0.00 H new ATOM 0 HB3 ASN A 76 18.266 -8.546 7.108 1.00 0.00 H new ATOM 0 HD21 ASN A 76 17.025 -6.593 10.136 1.00 0.00 H new ATOM 0 HD22 ASN A 76 16.221 -7.427 8.803 1.00 0.00 H new ATOM 1176 N ALA A 77 18.351 -7.435 4.124 1.00 0.00 N ATOM 1177 CA ALA A 77 18.327 -8.051 2.802 1.00 0.00 C ATOM 1178 C ALA A 77 18.361 -6.991 1.706 1.00 0.00 C ATOM 1179 O ALA A 77 17.864 -5.880 1.888 1.00 0.00 O ATOM 1180 CB ALA A 77 17.067 -8.905 2.649 1.00 0.00 C ATOM 0 H ALA A 77 17.497 -6.937 4.377 1.00 0.00 H new ATOM 0 HA ALA A 77 19.211 -8.681 2.703 1.00 0.00 H new ATOM 0 HB1 ALA A 77 17.055 -9.362 1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 77 17.062 -9.686 3.410 1.00 0.00 H new ATOM 0 HB3 ALA A 77 16.185 -8.276 2.769 1.00 0.00 H new ATOM 1186 N GLY A 78 18.945 -7.343 0.565 1.00 0.00 N ATOM 1187 CA GLY A 78 19.030 -6.415 -0.555 1.00 0.00 C ATOM 1188 C GLY A 78 17.770 -6.480 -1.411 1.00 0.00 C ATOM 1189 O GLY A 78 17.500 -7.491 -2.058 1.00 0.00 O ATOM 0 H GLY A 78 19.363 -8.257 0.393 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.169 -5.400 -0.182 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.902 -6.653 -1.165 1.00 0.00 H new ATOM 1193 N LEU A 79 17.002 -5.395 -1.407 1.00 0.00 N ATOM 1194 CA LEU A 79 15.769 -5.338 -2.184 1.00 0.00 C ATOM 1195 C LEU A 79 15.999 -4.593 -3.495 1.00 0.00 C ATOM 1196 O LEU A 79 16.565 -3.500 -3.508 1.00 0.00 O ATOM 1197 CB LEU A 79 14.680 -4.629 -1.376 1.00 0.00 C ATOM 1198 CG LEU A 79 13.343 -4.715 -2.119 1.00 0.00 C ATOM 1199 CD1 LEU A 79 12.792 -6.143 -2.044 1.00 0.00 C ATOM 1200 CD2 LEU A 79 12.343 -3.754 -1.473 1.00 0.00 C ATOM 0 H LEU A 79 17.210 -4.548 -0.878 1.00 0.00 H new ATOM 0 HA LEU A 79 15.452 -6.356 -2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 79 14.589 -5.087 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.952 -3.585 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 79 13.496 -4.444 -3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.841 -6.195 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 79 13.502 -6.831 -2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.640 -6.420 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 79 11.390 -3.812 -1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.198 -4.028 -0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.728 -2.736 -1.531 1.00 0.00 H new ATOM 1212 N THR A 80 15.554 -5.190 -4.596 1.00 0.00 N ATOM 1213 CA THR A 80 15.716 -4.570 -5.906 1.00 0.00 C ATOM 1214 C THR A 80 14.368 -4.434 -6.611 1.00 0.00 C ATOM 1215 O THR A 80 13.377 -5.037 -6.202 1.00 0.00 O ATOM 1216 CB THR A 80 16.673 -5.401 -6.765 1.00 0.00 C ATOM 1217 OG1 THR A 80 16.039 -6.613 -7.144 1.00 0.00 O ATOM 1218 CG2 THR A 80 17.938 -5.713 -5.965 1.00 0.00 C ATOM 0 H THR A 80 15.082 -6.094 -4.608 1.00 0.00 H new ATOM 0 HA THR A 80 16.134 -3.573 -5.765 1.00 0.00 H new ATOM 0 HB THR A 80 16.940 -4.837 -7.659 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.423 -6.896 -6.436 1.00 0.00 H new ATOM 0 HG21 THR A 80 18.619 -6.305 -6.577 1.00 0.00 H new ATOM 0 HG22 THR A 80 18.425 -4.782 -5.677 1.00 0.00 H new ATOM 0 HG23 THR A 80 17.673 -6.276 -5.070 1.00 0.00 H new ATOM 1226 N ASP A 81 14.343 -3.626 -7.666 1.00 0.00 N ATOM 1227 CA ASP A 81 13.115 -3.398 -8.424 1.00 0.00 C ATOM 1228 C ASP A 81 12.514 -4.706 -8.934 1.00 0.00 C ATOM 1229 O ASP A 81 11.293 -4.837 -9.026 1.00 0.00 O ATOM 1230 CB ASP A 81 13.401 -2.476 -9.610 1.00 0.00 C ATOM 1231 CG ASP A 81 13.674 -1.061 -9.116 1.00 0.00 C ATOM 1232 OD1 ASP A 81 13.333 -0.778 -7.980 1.00 0.00 O ATOM 1233 OD2 ASP A 81 14.219 -0.281 -9.879 1.00 0.00 O ATOM 0 H ASP A 81 15.156 -3.119 -8.016 1.00 0.00 H new ATOM 0 HA ASP A 81 12.394 -2.932 -7.752 1.00 0.00 H new ATOM 0 HB2 ASP A 81 14.259 -2.846 -10.170 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.551 -2.474 -10.293 1.00 0.00 H new ATOM 1238 N VAL A 82 13.368 -5.663 -9.282 1.00 0.00 N ATOM 1239 CA VAL A 82 12.884 -6.940 -9.799 1.00 0.00 C ATOM 1240 C VAL A 82 11.754 -7.479 -8.927 1.00 0.00 C ATOM 1241 O VAL A 82 10.760 -7.996 -9.439 1.00 0.00 O ATOM 1242 CB VAL A 82 14.027 -7.957 -9.849 1.00 0.00 C ATOM 1243 CG1 VAL A 82 14.234 -8.572 -8.464 1.00 0.00 C ATOM 1244 CG2 VAL A 82 13.680 -9.064 -10.848 1.00 0.00 C ATOM 0 H VAL A 82 14.383 -5.583 -9.218 1.00 0.00 H new ATOM 0 HA VAL A 82 12.503 -6.778 -10.807 1.00 0.00 H new ATOM 0 HB VAL A 82 14.942 -7.454 -10.161 1.00 0.00 H new ATOM 0 HG11 VAL A 82 15.049 -9.295 -8.505 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.482 -7.786 -7.750 1.00 0.00 H new ATOM 0 HG13 VAL A 82 13.319 -9.074 -8.148 1.00 0.00 H new ATOM 0 HG21 VAL A 82 14.493 -9.789 -10.885 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.763 -9.563 -10.534 1.00 0.00 H new ATOM 0 HG23 VAL A 82 13.536 -8.629 -11.837 1.00 0.00 H new ATOM 1254 N HIS A 83 11.904 -7.351 -7.614 1.00 0.00 N ATOM 1255 CA HIS A 83 10.880 -7.823 -6.693 1.00 0.00 C ATOM 1256 C HIS A 83 9.565 -7.091 -6.941 1.00 0.00 C ATOM 1257 O HIS A 83 8.498 -7.705 -6.985 1.00 0.00 O ATOM 1258 CB HIS A 83 11.329 -7.601 -5.248 1.00 0.00 C ATOM 1259 CG HIS A 83 12.514 -8.479 -4.952 1.00 0.00 C ATOM 1260 ND1 HIS A 83 13.819 -8.026 -5.073 1.00 0.00 N ATOM 1261 CD2 HIS A 83 12.608 -9.786 -4.545 1.00 0.00 C ATOM 1262 CE1 HIS A 83 14.634 -9.045 -4.743 1.00 0.00 C ATOM 1263 NE2 HIS A 83 13.947 -10.141 -4.413 1.00 0.00 N ATOM 0 H HIS A 83 12.718 -6.928 -7.167 1.00 0.00 H new ATOM 0 HA HIS A 83 10.729 -8.889 -6.861 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.591 -6.554 -5.094 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.513 -7.830 -4.563 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.770 -10.440 -4.356 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.712 -8.983 -4.745 1.00 0.00 H new ATOM 0 HE2 HIS A 83 14.323 -11.045 -4.126 1.00 0.00 H new ATOM 1271 N PHE A 84 9.654 -5.775 -7.108 1.00 0.00 N ATOM 1272 CA PHE A 84 8.468 -4.963 -7.358 1.00 0.00 C ATOM 1273 C PHE A 84 7.788 -5.395 -8.653 1.00 0.00 C ATOM 1274 O PHE A 84 6.566 -5.523 -8.714 1.00 0.00 O ATOM 1275 CB PHE A 84 8.858 -3.487 -7.452 1.00 0.00 C ATOM 1276 CG PHE A 84 7.612 -2.645 -7.578 1.00 0.00 C ATOM 1277 CD1 PHE A 84 6.919 -2.242 -6.431 1.00 0.00 C ATOM 1278 CD2 PHE A 84 7.149 -2.267 -8.845 1.00 0.00 C ATOM 1279 CE1 PHE A 84 5.763 -1.461 -6.548 1.00 0.00 C ATOM 1280 CE2 PHE A 84 5.992 -1.486 -8.963 1.00 0.00 C ATOM 1281 CZ PHE A 84 5.300 -1.084 -7.814 1.00 0.00 C ATOM 0 H PHE A 84 10.529 -5.251 -7.075 1.00 0.00 H new ATOM 0 HA PHE A 84 7.772 -5.103 -6.531 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.422 -3.192 -6.567 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.508 -3.325 -8.312 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.276 -2.534 -5.454 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.684 -2.578 -9.730 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.229 -1.150 -5.662 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.634 -1.194 -9.939 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.408 -0.482 -7.905 1.00 0.00 H new ATOM 1291 N ASP A 85 8.592 -5.618 -9.687 1.00 0.00 N ATOM 1292 CA ASP A 85 8.061 -6.034 -10.979 1.00 0.00 C ATOM 1293 C ASP A 85 7.306 -7.354 -10.854 1.00 0.00 C ATOM 1294 O ASP A 85 6.287 -7.562 -11.514 1.00 0.00 O ATOM 1295 CB ASP A 85 9.203 -6.193 -11.985 1.00 0.00 C ATOM 1296 CG ASP A 85 8.640 -6.447 -13.379 1.00 0.00 C ATOM 1297 OD1 ASP A 85 8.306 -5.483 -14.046 1.00 0.00 O ATOM 1298 OD2 ASP A 85 8.551 -7.603 -13.759 1.00 0.00 O ATOM 0 H ASP A 85 9.607 -5.518 -9.656 1.00 0.00 H new ATOM 0 HA ASP A 85 7.370 -5.267 -11.328 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.820 -5.295 -11.992 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.847 -7.020 -11.688 1.00 0.00 H new ATOM 1303 N ALA A 86 7.814 -8.246 -10.008 1.00 0.00 N ATOM 1304 CA ALA A 86 7.181 -9.545 -9.814 1.00 0.00 C ATOM 1305 C ALA A 86 5.816 -9.394 -9.149 1.00 0.00 C ATOM 1306 O ALA A 86 4.795 -9.788 -9.713 1.00 0.00 O ATOM 1307 CB ALA A 86 8.075 -10.436 -8.949 1.00 0.00 C ATOM 0 H ALA A 86 8.655 -8.094 -9.451 1.00 0.00 H new ATOM 0 HA ALA A 86 7.041 -10.004 -10.793 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.596 -11.405 -8.808 1.00 0.00 H new ATOM 0 HB2 ALA A 86 9.037 -10.575 -9.443 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.230 -9.964 -7.979 1.00 0.00 H new ATOM 1313 N ILE A 87 5.800 -8.821 -7.948 1.00 0.00 N ATOM 1314 CA ILE A 87 4.547 -8.630 -7.227 1.00 0.00 C ATOM 1315 C ILE A 87 3.621 -7.699 -8.003 1.00 0.00 C ATOM 1316 O ILE A 87 2.398 -7.822 -7.930 1.00 0.00 O ATOM 1317 CB ILE A 87 4.820 -8.048 -5.838 1.00 0.00 C ATOM 1318 CG1 ILE A 87 3.563 -8.175 -4.972 1.00 0.00 C ATOM 1319 CG2 ILE A 87 5.200 -6.572 -5.965 1.00 0.00 C ATOM 1320 CD1 ILE A 87 3.918 -7.898 -3.511 1.00 0.00 C ATOM 0 H ILE A 87 6.630 -8.485 -7.459 1.00 0.00 H new ATOM 0 HA ILE A 87 4.061 -9.600 -7.119 1.00 0.00 H new ATOM 0 HB ILE A 87 5.640 -8.596 -5.374 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.802 -7.472 -5.312 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.140 -9.175 -5.071 1.00 0.00 H new ATOM 0 HG21 ILE A 87 5.394 -6.160 -4.975 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.096 -6.478 -6.579 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.381 -6.024 -6.432 1.00 0.00 H new ATOM 0 HD11 ILE A 87 3.023 -7.989 -2.896 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.664 -8.618 -3.175 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.321 -6.889 -3.419 1.00 0.00 H new ATOM 1332 N ALA A 88 4.211 -6.771 -8.749 1.00 0.00 N ATOM 1333 CA ALA A 88 3.426 -5.828 -9.537 1.00 0.00 C ATOM 1334 C ALA A 88 2.672 -6.558 -10.642 1.00 0.00 C ATOM 1335 O ALA A 88 1.492 -6.298 -10.882 1.00 0.00 O ATOM 1336 CB ALA A 88 4.345 -4.772 -10.155 1.00 0.00 C ATOM 0 H ALA A 88 5.221 -6.652 -8.824 1.00 0.00 H new ATOM 0 HA ALA A 88 2.706 -5.341 -8.879 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.751 -4.071 -10.742 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.864 -4.233 -9.363 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.075 -5.259 -10.801 1.00 0.00 H new ATOM 1342 N GLU A 89 3.361 -7.479 -11.308 1.00 0.00 N ATOM 1343 CA GLU A 89 2.748 -8.249 -12.383 1.00 0.00 C ATOM 1344 C GLU A 89 1.604 -9.100 -11.844 1.00 0.00 C ATOM 1345 O GLU A 89 0.595 -9.302 -12.519 1.00 0.00 O ATOM 1346 CB GLU A 89 3.794 -9.152 -13.038 1.00 0.00 C ATOM 1347 CG GLU A 89 3.173 -9.858 -14.245 1.00 0.00 C ATOM 1348 CD GLU A 89 4.175 -10.836 -14.849 1.00 0.00 C ATOM 1349 OE1 GLU A 89 5.267 -10.941 -14.314 1.00 0.00 O ATOM 1350 OE2 GLU A 89 3.837 -11.467 -15.837 1.00 0.00 O ATOM 0 H GLU A 89 4.337 -7.709 -11.124 1.00 0.00 H new ATOM 0 HA GLU A 89 2.352 -7.555 -13.124 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.655 -8.561 -13.352 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.156 -9.887 -12.320 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.271 -10.390 -13.942 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.874 -9.123 -14.992 1.00 0.00 H new ATOM 1357 N ASN A 90 1.774 -9.601 -10.624 1.00 0.00 N ATOM 1358 CA ASN A 90 0.754 -10.434 -10.002 1.00 0.00 C ATOM 1359 C ASN A 90 -0.579 -9.697 -9.932 1.00 0.00 C ATOM 1360 O ASN A 90 -1.639 -10.290 -10.137 1.00 0.00 O ATOM 1361 CB ASN A 90 1.194 -10.823 -8.590 1.00 0.00 C ATOM 1362 CG ASN A 90 2.441 -11.699 -8.654 1.00 0.00 C ATOM 1363 OD1 ASN A 90 2.748 -12.269 -9.701 1.00 0.00 O ATOM 1364 ND2 ASN A 90 3.183 -11.840 -7.590 1.00 0.00 N ATOM 0 H ASN A 90 2.603 -9.445 -10.051 1.00 0.00 H new ATOM 0 HA ASN A 90 0.627 -11.330 -10.609 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.399 -9.927 -8.004 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.390 -11.357 -8.084 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.019 -12.423 -7.625 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.927 -11.367 -6.723 1.00 0.00 H new ATOM 1371 N LEU A 91 -0.520 -8.402 -9.639 1.00 0.00 N ATOM 1372 CA LEU A 91 -1.731 -7.596 -9.545 1.00 0.00 C ATOM 1373 C LEU A 91 -2.440 -7.523 -10.892 1.00 0.00 C ATOM 1374 O LEU A 91 -3.667 -7.582 -10.960 1.00 0.00 O ATOM 1375 CB LEU A 91 -1.379 -6.183 -9.072 1.00 0.00 C ATOM 1376 CG LEU A 91 -2.663 -5.380 -8.851 1.00 0.00 C ATOM 1377 CD1 LEU A 91 -3.449 -5.971 -7.677 1.00 0.00 C ATOM 1378 CD2 LEU A 91 -2.303 -3.926 -8.537 1.00 0.00 C ATOM 0 H LEU A 91 0.346 -7.892 -9.464 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.401 -8.066 -8.825 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.805 -6.231 -8.147 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.751 -5.687 -9.812 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.274 -5.423 -9.752 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.362 -5.396 -7.524 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.706 -7.007 -7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.839 -5.931 -6.774 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.216 -3.351 -8.379 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.690 -3.889 -7.636 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.746 -3.501 -9.372 1.00 0.00 H new ATOM 1390 N VAL A 92 -1.663 -7.391 -11.963 1.00 0.00 N ATOM 1391 CA VAL A 92 -2.235 -7.304 -13.303 1.00 0.00 C ATOM 1392 C VAL A 92 -3.014 -8.571 -13.645 1.00 0.00 C ATOM 1393 O VAL A 92 -4.124 -8.504 -14.175 1.00 0.00 O ATOM 1394 CB VAL A 92 -1.124 -7.102 -14.332 1.00 0.00 C ATOM 1395 CG1 VAL A 92 -1.712 -7.184 -15.741 1.00 0.00 C ATOM 1396 CG2 VAL A 92 -0.481 -5.727 -14.127 1.00 0.00 C ATOM 0 H VAL A 92 -0.645 -7.342 -11.931 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.918 -6.454 -13.326 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.369 -7.878 -14.207 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.919 -7.040 -16.475 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.169 -8.162 -15.888 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.467 -6.408 -15.866 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.312 -5.583 -14.861 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.236 -4.950 -14.251 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.061 -5.668 -13.123 1.00 0.00 H new ATOM 1406 N LEU A 93 -2.425 -9.722 -13.343 1.00 0.00 N ATOM 1407 CA LEU A 93 -3.071 -10.998 -13.630 1.00 0.00 C ATOM 1408 C LEU A 93 -4.361 -11.144 -12.828 1.00 0.00 C ATOM 1409 O LEU A 93 -5.342 -11.710 -13.311 1.00 0.00 O ATOM 1410 CB LEU A 93 -2.123 -12.149 -13.287 1.00 0.00 C ATOM 1411 CG LEU A 93 -0.803 -11.973 -14.043 1.00 0.00 C ATOM 1412 CD1 LEU A 93 0.115 -13.160 -13.753 1.00 0.00 C ATOM 1413 CD2 LEU A 93 -1.082 -11.900 -15.547 1.00 0.00 C ATOM 0 H LEU A 93 -1.508 -9.799 -12.903 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.315 -11.028 -14.692 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.938 -12.173 -12.213 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.581 -13.102 -13.553 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.319 -11.052 -13.717 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.054 -13.034 -14.292 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.315 -13.213 -12.683 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.368 -14.082 -14.078 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.143 -11.775 -16.086 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.567 -12.820 -15.872 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.735 -11.053 -15.755 1.00 0.00 H new ATOM 1425 N THR A 94 -4.351 -10.638 -11.600 1.00 0.00 N ATOM 1426 CA THR A 94 -5.522 -10.727 -10.737 1.00 0.00 C ATOM 1427 C THR A 94 -6.729 -10.038 -11.371 1.00 0.00 C ATOM 1428 O THR A 94 -7.845 -10.554 -11.317 1.00 0.00 O ATOM 1429 CB THR A 94 -5.221 -10.084 -9.382 1.00 0.00 C ATOM 1430 OG1 THR A 94 -4.062 -10.686 -8.823 1.00 0.00 O ATOM 1431 CG2 THR A 94 -6.410 -10.288 -8.442 1.00 0.00 C ATOM 0 H THR A 94 -3.550 -10.165 -11.182 1.00 0.00 H new ATOM 0 HA THR A 94 -5.760 -11.782 -10.600 1.00 0.00 H new ATOM 0 HB THR A 94 -5.048 -9.016 -9.516 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.268 -10.383 -9.311 1.00 0.00 H new ATOM 0 HG21 THR A 94 -6.194 -9.829 -7.477 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.298 -9.826 -8.873 1.00 0.00 H new ATOM 0 HG23 THR A 94 -6.587 -11.355 -8.305 1.00 0.00 H new ATOM 1439 N LEU A 95 -6.500 -8.872 -11.969 1.00 0.00 N ATOM 1440 CA LEU A 95 -7.587 -8.132 -12.602 1.00 0.00 C ATOM 1441 C LEU A 95 -8.209 -8.948 -13.729 1.00 0.00 C ATOM 1442 O LEU A 95 -9.421 -8.907 -13.941 1.00 0.00 O ATOM 1443 CB LEU A 95 -7.066 -6.803 -13.156 1.00 0.00 C ATOM 1444 CG LEU A 95 -6.427 -5.986 -12.030 1.00 0.00 C ATOM 1445 CD1 LEU A 95 -5.981 -4.628 -12.575 1.00 0.00 C ATOM 1446 CD2 LEU A 95 -7.444 -5.770 -10.906 1.00 0.00 C ATOM 0 H LEU A 95 -5.585 -8.424 -12.028 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.350 -7.935 -11.849 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.335 -6.988 -13.943 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.884 -6.241 -13.607 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.565 -6.526 -11.640 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.526 -4.046 -11.774 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.254 -4.777 -13.373 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.845 -4.092 -12.967 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.985 -5.188 -10.107 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.308 -5.232 -11.296 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.764 -6.736 -10.514 1.00 0.00 H new ATOM 1458 N GLN A 96 -7.375 -9.694 -14.448 1.00 0.00 N ATOM 1459 CA GLN A 96 -7.864 -10.517 -15.547 1.00 0.00 C ATOM 1460 C GLN A 96 -8.872 -11.541 -15.033 1.00 0.00 C ATOM 1461 O GLN A 96 -9.869 -11.831 -15.693 1.00 0.00 O ATOM 1462 CB GLN A 96 -6.695 -11.239 -16.220 1.00 0.00 C ATOM 1463 CG GLN A 96 -5.725 -10.210 -16.803 1.00 0.00 C ATOM 1464 CD GLN A 96 -6.390 -9.450 -17.945 1.00 0.00 C ATOM 1465 OE1 GLN A 96 -7.176 -8.532 -17.707 1.00 0.00 O ATOM 1466 NE2 GLN A 96 -6.123 -9.779 -19.179 1.00 0.00 N ATOM 0 H GLN A 96 -6.368 -9.745 -14.291 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.355 -9.871 -16.275 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.180 -11.871 -15.497 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.064 -11.894 -17.009 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.412 -9.513 -16.026 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.826 -10.710 -17.164 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.472 -10.539 -19.375 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.565 -9.276 -19.948 1.00 0.00 H new ATOM 1475 N GLU A 97 -8.602 -12.081 -13.848 1.00 0.00 N ATOM 1476 CA GLU A 97 -9.491 -13.067 -13.246 1.00 0.00 C ATOM 1477 C GLU A 97 -10.840 -12.437 -12.915 1.00 0.00 C ATOM 1478 O GLU A 97 -11.875 -13.102 -12.957 1.00 0.00 O ATOM 1479 CB GLU A 97 -8.860 -13.629 -11.972 1.00 0.00 C ATOM 1480 CG GLU A 97 -7.581 -14.388 -12.327 1.00 0.00 C ATOM 1481 CD GLU A 97 -6.977 -15.008 -11.071 1.00 0.00 C ATOM 1482 OE1 GLU A 97 -7.453 -14.695 -9.993 1.00 0.00 O ATOM 1483 OE2 GLU A 97 -6.047 -15.785 -11.206 1.00 0.00 O ATOM 0 H GLU A 97 -7.780 -11.854 -13.289 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.646 -13.876 -13.960 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.634 -12.819 -11.278 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -9.562 -14.294 -11.469 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.801 -15.167 -13.057 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.863 -13.711 -12.790 1.00 0.00 H new ATOM 1490 N LEU A 98 -10.816 -11.152 -12.579 1.00 0.00 N ATOM 1491 CA LEU A 98 -12.040 -10.437 -12.235 1.00 0.00 C ATOM 1492 C LEU A 98 -12.767 -9.975 -13.494 1.00 0.00 C ATOM 1493 O LEU A 98 -13.827 -9.353 -13.415 1.00 0.00 O ATOM 1494 CB LEU A 98 -11.707 -9.223 -11.363 1.00 0.00 C ATOM 1495 CG LEU A 98 -10.898 -9.672 -10.143 1.00 0.00 C ATOM 1496 CD1 LEU A 98 -10.648 -8.474 -9.227 1.00 0.00 C ATOM 1497 CD2 LEU A 98 -11.679 -10.742 -9.376 1.00 0.00 C ATOM 0 H LEU A 98 -9.968 -10.587 -12.537 1.00 0.00 H new ATOM 0 HA LEU A 98 -12.690 -11.116 -11.684 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.139 -8.493 -11.940 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -12.625 -8.731 -11.042 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.945 -10.084 -10.474 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.072 -8.794 -8.359 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.091 -7.710 -9.770 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.602 -8.062 -8.898 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.102 -11.061 -8.508 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.633 -10.330 -9.047 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.859 -11.598 -10.027 1.00 0.00 H new ATOM 1509 N ASN A 99 -12.194 -10.282 -14.652 1.00 0.00 N ATOM 1510 CA ASN A 99 -12.802 -9.891 -15.918 1.00 0.00 C ATOM 1511 C ASN A 99 -12.906 -8.372 -16.017 1.00 0.00 C ATOM 1512 O ASN A 99 -13.970 -7.830 -16.313 1.00 0.00 O ATOM 1513 CB ASN A 99 -14.197 -10.507 -16.040 1.00 0.00 C ATOM 1514 CG ASN A 99 -14.640 -10.508 -17.500 1.00 0.00 C ATOM 1515 OD1 ASN A 99 -13.810 -10.387 -18.401 1.00 0.00 O ATOM 1516 ND2 ASN A 99 -15.906 -10.637 -17.787 1.00 0.00 N ATOM 0 H ASN A 99 -11.317 -10.796 -14.741 1.00 0.00 H new ATOM 0 HA ASN A 99 -12.171 -10.255 -16.729 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.189 -11.526 -15.653 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -14.907 -9.942 -15.436 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -16.211 -10.638 -18.760 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -16.591 -10.737 -17.038 1.00 0.00 H new ATOM 1523 N VAL A 100 -11.792 -7.692 -15.766 1.00 0.00 N ATOM 1524 CA VAL A 100 -11.764 -6.235 -15.827 1.00 0.00 C ATOM 1525 C VAL A 100 -11.160 -5.768 -17.148 1.00 0.00 C ATOM 1526 O VAL A 100 -10.181 -6.339 -17.629 1.00 0.00 O ATOM 1527 CB VAL A 100 -10.945 -5.678 -14.662 1.00 0.00 C ATOM 1528 CG1 VAL A 100 -10.988 -4.149 -14.691 1.00 0.00 C ATOM 1529 CG2 VAL A 100 -11.535 -6.177 -13.341 1.00 0.00 C ATOM 0 H VAL A 100 -10.901 -8.124 -15.520 1.00 0.00 H new ATOM 0 HA VAL A 100 -12.787 -5.866 -15.757 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.912 -6.014 -14.752 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.404 -3.753 -13.860 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -10.570 -3.791 -15.632 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -12.021 -3.812 -14.602 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -10.952 -5.781 -12.509 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -12.568 -5.840 -13.253 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.506 -7.266 -13.318 1.00 0.00 H new ATOM 1539 N SER A 101 -11.753 -4.732 -17.731 1.00 0.00 N ATOM 1540 CA SER A 101 -11.268 -4.203 -19.001 1.00 0.00 C ATOM 1541 C SER A 101 -9.783 -3.867 -18.913 1.00 0.00 C ATOM 1542 O SER A 101 -9.308 -3.361 -17.897 1.00 0.00 O ATOM 1543 CB SER A 101 -12.056 -2.948 -19.377 1.00 0.00 C ATOM 1544 OG SER A 101 -11.641 -2.500 -20.661 1.00 0.00 O ATOM 0 H SER A 101 -12.564 -4.245 -17.349 1.00 0.00 H new ATOM 0 HA SER A 101 -11.409 -4.965 -19.767 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.124 -3.163 -19.382 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.892 -2.166 -18.636 1.00 0.00 H new ATOM 0 HG SER A 101 -12.146 -1.696 -20.906 1.00 0.00 H new ATOM 1550 N GLN A 102 -9.057 -4.158 -19.987 1.00 0.00 N ATOM 1551 CA GLN A 102 -7.624 -3.892 -20.032 1.00 0.00 C ATOM 1552 C GLN A 102 -7.335 -2.409 -19.819 1.00 0.00 C ATOM 1553 O GLN A 102 -6.338 -2.048 -19.193 1.00 0.00 O ATOM 1554 CB GLN A 102 -7.055 -4.335 -21.382 1.00 0.00 C ATOM 1555 CG GLN A 102 -5.527 -4.251 -21.347 1.00 0.00 C ATOM 1556 CD GLN A 102 -4.963 -5.370 -20.479 1.00 0.00 C ATOM 1557 OE1 GLN A 102 -5.138 -6.548 -20.791 1.00 0.00 O ATOM 1558 NE2 GLN A 102 -4.292 -5.071 -19.400 1.00 0.00 N ATOM 0 H GLN A 102 -9.436 -4.577 -20.836 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.149 -4.456 -19.229 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -7.368 -5.355 -21.603 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -7.446 -3.702 -22.178 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -5.127 -4.327 -22.358 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.217 -3.283 -20.954 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -4.148 -4.094 -19.143 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -3.912 -5.814 -18.814 1.00 0.00 H new ATOM 1567 N ASP A 103 -8.202 -1.554 -20.350 1.00 0.00 N ATOM 1568 CA ASP A 103 -8.012 -0.114 -20.214 1.00 0.00 C ATOM 1569 C ASP A 103 -7.880 0.278 -18.746 1.00 0.00 C ATOM 1570 O ASP A 103 -7.034 1.096 -18.388 1.00 0.00 O ATOM 1571 CB ASP A 103 -9.197 0.628 -20.836 1.00 0.00 C ATOM 1572 CG ASP A 103 -9.202 0.429 -22.348 1.00 0.00 C ATOM 1573 OD1 ASP A 103 -8.212 -0.061 -22.865 1.00 0.00 O ATOM 1574 OD2 ASP A 103 -10.197 0.770 -22.966 1.00 0.00 O ATOM 0 H ASP A 103 -9.034 -1.828 -20.873 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.094 0.161 -20.733 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -10.131 0.261 -20.410 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -9.135 1.691 -20.601 1.00 0.00 H new ATOM 1579 N LEU A 104 -8.716 -0.314 -17.898 1.00 0.00 N ATOM 1580 CA LEU A 104 -8.669 -0.018 -16.472 1.00 0.00 C ATOM 1581 C LEU A 104 -7.372 -0.537 -15.861 1.00 0.00 C ATOM 1582 O LEU A 104 -6.790 0.099 -14.982 1.00 0.00 O ATOM 1583 CB LEU A 104 -9.865 -0.662 -15.763 1.00 0.00 C ATOM 1584 CG LEU A 104 -11.168 -0.125 -16.359 1.00 0.00 C ATOM 1585 CD1 LEU A 104 -12.358 -0.757 -15.633 1.00 0.00 C ATOM 1586 CD2 LEU A 104 -11.223 1.395 -16.190 1.00 0.00 C ATOM 0 H LEU A 104 -9.426 -0.994 -18.170 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.711 1.063 -16.343 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.824 -1.746 -15.871 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.826 -0.447 -14.695 1.00 0.00 H new ATOM 0 HG LEU A 104 -11.209 -0.375 -17.419 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.287 -0.375 -16.057 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.323 -1.840 -15.752 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.313 -0.506 -14.573 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -12.152 1.775 -16.615 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.180 1.645 -15.130 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.376 1.849 -16.704 1.00 0.00 H new ATOM 1598 N ILE A 105 -6.926 -1.696 -16.334 1.00 0.00 N ATOM 1599 CA ILE A 105 -5.697 -2.295 -15.830 1.00 0.00 C ATOM 1600 C ILE A 105 -4.502 -1.384 -16.098 1.00 0.00 C ATOM 1601 O ILE A 105 -3.625 -1.231 -15.249 1.00 0.00 O ATOM 1602 CB ILE A 105 -5.467 -3.651 -16.499 1.00 0.00 C ATOM 1603 CG1 ILE A 105 -6.653 -4.572 -16.204 1.00 0.00 C ATOM 1604 CG2 ILE A 105 -4.185 -4.281 -15.950 1.00 0.00 C ATOM 1605 CD1 ILE A 105 -6.485 -5.884 -16.974 1.00 0.00 C ATOM 0 H ILE A 105 -7.395 -2.236 -17.061 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.798 -2.431 -14.753 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.372 -3.513 -17.576 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.715 -4.771 -15.134 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.585 -4.086 -16.492 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.021 -5.247 -16.427 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.339 -3.626 -16.158 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.280 -4.419 -14.873 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.330 -6.540 -16.764 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.444 -5.676 -18.043 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.561 -6.372 -16.664 1.00 0.00 H new ATOM 1617 N ASP A 106 -4.474 -0.787 -17.284 1.00 0.00 N ATOM 1618 CA ASP A 106 -3.380 0.105 -17.652 1.00 0.00 C ATOM 1619 C ASP A 106 -3.283 1.270 -16.674 1.00 0.00 C ATOM 1620 O ASP A 106 -2.187 1.683 -16.293 1.00 0.00 O ATOM 1621 CB ASP A 106 -3.599 0.642 -19.067 1.00 0.00 C ATOM 1622 CG ASP A 106 -3.484 -0.495 -20.079 1.00 0.00 C ATOM 1623 OD1 ASP A 106 -3.021 -1.557 -19.697 1.00 0.00 O ATOM 1624 OD2 ASP A 106 -3.863 -0.285 -21.220 1.00 0.00 O ATOM 0 H ASP A 106 -5.189 -0.903 -18.002 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.449 -0.461 -17.617 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.582 1.107 -19.140 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -2.863 1.414 -19.290 1.00 0.00 H new ATOM 1629 N GLU A 107 -4.434 1.795 -16.269 1.00 0.00 N ATOM 1630 CA GLU A 107 -4.464 2.913 -15.333 1.00 0.00 C ATOM 1631 C GLU A 107 -3.901 2.493 -13.979 1.00 0.00 C ATOM 1632 O GLU A 107 -3.251 3.283 -13.294 1.00 0.00 O ATOM 1633 CB GLU A 107 -5.902 3.408 -15.158 1.00 0.00 C ATOM 1634 CG GLU A 107 -6.414 3.980 -16.482 1.00 0.00 C ATOM 1635 CD GLU A 107 -5.581 5.191 -16.887 1.00 0.00 C ATOM 1636 OE1 GLU A 107 -4.910 5.738 -16.028 1.00 0.00 O ATOM 1637 OE2 GLU A 107 -5.626 5.553 -18.052 1.00 0.00 O ATOM 0 H GLU A 107 -5.352 1.468 -16.571 1.00 0.00 H new ATOM 0 HA GLU A 107 -3.849 3.717 -15.736 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -6.542 2.588 -14.833 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -5.942 4.171 -14.381 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -6.364 3.218 -17.260 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.461 4.266 -16.383 1.00 0.00 H new ATOM 1644 N VAL A 108 -4.155 1.245 -13.602 1.00 0.00 N ATOM 1645 CA VAL A 108 -3.670 0.727 -12.328 1.00 0.00 C ATOM 1646 C VAL A 108 -2.146 0.726 -12.290 1.00 0.00 C ATOM 1647 O VAL A 108 -1.539 1.034 -11.263 1.00 0.00 O ATOM 1648 CB VAL A 108 -4.187 -0.697 -12.114 1.00 0.00 C ATOM 1649 CG1 VAL A 108 -3.536 -1.295 -10.866 1.00 0.00 C ATOM 1650 CG2 VAL A 108 -5.706 -0.664 -11.930 1.00 0.00 C ATOM 0 H VAL A 108 -4.690 0.577 -14.156 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.040 1.374 -11.532 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.938 -1.308 -12.981 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.905 -2.309 -10.714 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.454 -1.318 -10.995 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.785 -0.685 -9.998 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.076 -1.678 -11.777 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.954 -0.053 -11.062 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.171 -0.238 -12.819 1.00 0.00 H new ATOM 1660 N VAL A 109 -1.530 0.372 -13.414 1.00 0.00 N ATOM 1661 CA VAL A 109 -0.075 0.329 -13.495 1.00 0.00 C ATOM 1662 C VAL A 109 0.526 1.704 -13.211 1.00 0.00 C ATOM 1663 O VAL A 109 1.523 1.819 -12.497 1.00 0.00 O ATOM 1664 CB VAL A 109 0.354 -0.136 -14.888 1.00 0.00 C ATOM 1665 CG1 VAL A 109 1.868 0.024 -15.038 1.00 0.00 C ATOM 1666 CG2 VAL A 109 -0.023 -1.608 -15.071 1.00 0.00 C ATOM 0 H VAL A 109 -2.012 0.113 -14.275 1.00 0.00 H new ATOM 0 HA VAL A 109 0.289 -0.373 -12.745 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.150 0.467 -15.643 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.172 -0.308 -16.031 1.00 0.00 H new ATOM 0 HG12 VAL A 109 2.138 1.072 -14.907 1.00 0.00 H new ATOM 0 HG13 VAL A 109 2.374 -0.578 -14.283 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.282 -1.941 -16.063 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.482 -2.210 -14.315 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.102 -1.723 -14.965 1.00 0.00 H new ATOM 1676 N THR A 110 -0.081 2.740 -13.777 1.00 0.00 N ATOM 1677 CA THR A 110 0.410 4.100 -13.579 1.00 0.00 C ATOM 1678 C THR A 110 0.349 4.497 -12.107 1.00 0.00 C ATOM 1679 O THR A 110 1.282 5.103 -11.580 1.00 0.00 O ATOM 1680 CB THR A 110 -0.426 5.080 -14.406 1.00 0.00 C ATOM 1681 OG1 THR A 110 -0.418 4.674 -15.768 1.00 0.00 O ATOM 1682 CG2 THR A 110 0.163 6.485 -14.286 1.00 0.00 C ATOM 0 H THR A 110 -0.907 2.667 -14.372 1.00 0.00 H new ATOM 0 HA THR A 110 1.450 4.135 -13.904 1.00 0.00 H new ATOM 0 HB THR A 110 -1.451 5.087 -14.035 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.954 5.299 -16.299 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.434 7.181 -14.875 1.00 0.00 H new ATOM 0 HG22 THR A 110 0.155 6.795 -13.241 1.00 0.00 H new ATOM 0 HG23 THR A 110 1.188 6.482 -14.656 1.00 0.00 H new ATOM 1690 N ILE A 111 -0.756 4.159 -11.448 1.00 0.00 N ATOM 1691 CA ILE A 111 -0.923 4.495 -10.038 1.00 0.00 C ATOM 1692 C ILE A 111 0.159 3.835 -9.187 1.00 0.00 C ATOM 1693 O ILE A 111 0.819 4.495 -8.387 1.00 0.00 O ATOM 1694 CB ILE A 111 -2.303 4.048 -9.554 1.00 0.00 C ATOM 1695 CG1 ILE A 111 -3.383 4.774 -10.363 1.00 0.00 C ATOM 1696 CG2 ILE A 111 -2.460 4.393 -8.072 1.00 0.00 C ATOM 1697 CD1 ILE A 111 -4.761 4.226 -9.988 1.00 0.00 C ATOM 0 H ILE A 111 -1.542 3.658 -11.863 1.00 0.00 H new ATOM 0 HA ILE A 111 -0.833 5.576 -9.933 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.406 2.971 -9.689 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.341 5.845 -10.166 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -3.205 4.639 -11.430 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -3.444 4.075 -7.727 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -1.690 3.881 -7.496 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -2.359 5.470 -7.936 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.528 4.744 -10.564 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.800 3.159 -10.208 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.938 4.384 -8.924 1.00 0.00 H new ATOM 1709 N VAL A 112 0.334 2.529 -9.365 1.00 0.00 N ATOM 1710 CA VAL A 112 1.340 1.795 -8.606 1.00 0.00 C ATOM 1711 C VAL A 112 2.727 2.017 -9.199 1.00 0.00 C ATOM 1712 O VAL A 112 3.738 1.869 -8.512 1.00 0.00 O ATOM 1713 CB VAL A 112 1.017 0.300 -8.609 1.00 0.00 C ATOM 1714 CG1 VAL A 112 -0.401 0.080 -8.079 1.00 0.00 C ATOM 1715 CG2 VAL A 112 1.115 -0.238 -10.037 1.00 0.00 C ATOM 0 H VAL A 112 -0.202 1.962 -10.022 1.00 0.00 H new ATOM 0 HA VAL A 112 1.330 2.165 -7.581 1.00 0.00 H new ATOM 0 HB VAL A 112 1.728 -0.225 -7.971 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.629 -0.986 -8.082 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -0.473 0.464 -7.061 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.113 0.605 -8.716 1.00 0.00 H new ATOM 0 HG21 VAL A 112 0.885 -1.303 -10.041 1.00 0.00 H new ATOM 0 HG22 VAL A 112 0.404 0.289 -10.674 1.00 0.00 H new ATOM 0 HG23 VAL A 112 2.125 -0.083 -10.415 1.00 0.00 H new ATOM 1725 N GLY A 113 2.766 2.368 -10.480 1.00 0.00 N ATOM 1726 CA GLY A 113 4.032 2.602 -11.161 1.00 0.00 C ATOM 1727 C GLY A 113 4.547 4.014 -10.897 1.00 0.00 C ATOM 1728 O GLY A 113 5.447 4.493 -11.587 1.00 0.00 O ATOM 0 H GLY A 113 1.940 2.496 -11.064 1.00 0.00 H new ATOM 0 HA2 GLY A 113 4.770 1.874 -10.824 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.904 2.453 -12.233 1.00 0.00 H new ATOM 1732 N SER A 114 3.973 4.677 -9.898 1.00 0.00 N ATOM 1733 CA SER A 114 4.391 6.033 -9.566 1.00 0.00 C ATOM 1734 C SER A 114 5.878 6.060 -9.222 1.00 0.00 C ATOM 1735 O SER A 114 6.398 5.137 -8.596 1.00 0.00 O ATOM 1736 CB SER A 114 3.579 6.554 -8.381 1.00 0.00 C ATOM 1737 OG SER A 114 2.196 6.520 -8.708 1.00 0.00 O ATOM 0 H SER A 114 3.227 4.303 -9.312 1.00 0.00 H new ATOM 0 HA SER A 114 4.217 6.673 -10.431 1.00 0.00 H new ATOM 0 HB2 SER A 114 3.771 5.944 -7.498 1.00 0.00 H new ATOM 0 HB3 SER A 114 3.882 7.572 -8.137 1.00 0.00 H new ATOM 0 HG SER A 114 1.779 5.741 -8.284 1.00 0.00 H new ATOM 1743 N VAL A 115 6.555 7.124 -9.641 1.00 0.00 N ATOM 1744 CA VAL A 115 7.984 7.262 -9.379 1.00 0.00 C ATOM 1745 C VAL A 115 8.252 7.465 -7.891 1.00 0.00 C ATOM 1746 O VAL A 115 9.200 6.906 -7.340 1.00 0.00 O ATOM 1747 CB VAL A 115 8.545 8.448 -10.164 1.00 0.00 C ATOM 1748 CG1 VAL A 115 10.000 8.687 -9.756 1.00 0.00 C ATOM 1749 CG2 VAL A 115 8.480 8.142 -11.661 1.00 0.00 C ATOM 0 H VAL A 115 6.141 7.899 -10.160 1.00 0.00 H new ATOM 0 HA VAL A 115 8.477 6.343 -9.698 1.00 0.00 H new ATOM 0 HB VAL A 115 7.956 9.339 -9.948 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.401 9.532 -10.315 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.048 8.903 -8.689 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.590 7.796 -9.973 1.00 0.00 H new ATOM 0 HG21 VAL A 115 8.880 8.986 -12.223 1.00 0.00 H new ATOM 0 HG22 VAL A 115 9.070 7.251 -11.876 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.444 7.970 -11.953 1.00 0.00 H new ATOM 1759 N GLN A 116 7.421 8.279 -7.249 1.00 0.00 N ATOM 1760 CA GLN A 116 7.592 8.559 -5.828 1.00 0.00 C ATOM 1761 C GLN A 116 7.526 7.278 -5.002 1.00 0.00 C ATOM 1762 O GLN A 116 8.367 7.047 -4.135 1.00 0.00 O ATOM 1763 CB GLN A 116 6.506 9.526 -5.357 1.00 0.00 C ATOM 1764 CG GLN A 116 6.784 9.940 -3.911 1.00 0.00 C ATOM 1765 CD GLN A 116 5.721 10.926 -3.438 1.00 0.00 C ATOM 1766 OE1 GLN A 116 4.904 11.389 -4.233 1.00 0.00 O ATOM 1767 NE2 GLN A 116 5.683 11.275 -2.182 1.00 0.00 N ATOM 0 H GLN A 116 6.630 8.752 -7.685 1.00 0.00 H new ATOM 0 HA GLN A 116 8.575 9.009 -5.687 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.483 10.406 -6.000 1.00 0.00 H new ATOM 0 HB3 GLN A 116 5.527 9.053 -5.429 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.789 9.061 -3.267 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.772 10.394 -3.838 1.00 0.00 H new ATOM 0 HE21 GLN A 116 6.361 10.890 -1.525 1.00 0.00 H new ATOM 0 HE22 GLN A 116 4.975 11.933 -1.857 1.00 0.00 H new ATOM 1776 N HIS A 117 6.523 6.449 -5.272 1.00 0.00 N ATOM 1777 CA HIS A 117 6.368 5.198 -4.539 1.00 0.00 C ATOM 1778 C HIS A 117 7.519 4.248 -4.857 1.00 0.00 C ATOM 1779 O HIS A 117 8.093 3.630 -3.961 1.00 0.00 O ATOM 1780 CB HIS A 117 5.036 4.537 -4.895 1.00 0.00 C ATOM 1781 CG HIS A 117 4.750 3.434 -3.913 1.00 0.00 C ATOM 1782 ND1 HIS A 117 5.096 3.530 -2.575 1.00 0.00 N ATOM 1783 CD2 HIS A 117 4.134 2.215 -4.053 1.00 0.00 C ATOM 1784 CE1 HIS A 117 4.692 2.400 -1.966 1.00 0.00 C ATOM 1785 NE2 HIS A 117 4.096 1.561 -2.824 1.00 0.00 N ATOM 0 H HIS A 117 5.813 6.618 -5.985 1.00 0.00 H new ATOM 0 HA HIS A 117 6.380 5.421 -3.472 1.00 0.00 H new ATOM 0 HB2 HIS A 117 4.234 5.275 -4.874 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.075 4.137 -5.908 1.00 0.00 H new ATOM 0 HD1 HIS A 117 5.571 4.316 -2.131 1.00 0.00 H new ATOM 0 HD2 HIS A 117 3.738 1.822 -4.978 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.831 2.195 -0.915 1.00 0.00 H new ATOM 1793 N ARG A 118 7.848 4.139 -6.139 1.00 0.00 N ATOM 1794 CA ARG A 118 8.932 3.263 -6.568 1.00 0.00 C ATOM 1795 C ARG A 118 10.243 3.660 -5.897 1.00 0.00 C ATOM 1796 O ARG A 118 11.010 2.805 -5.455 1.00 0.00 O ATOM 1797 CB ARG A 118 9.088 3.345 -8.087 1.00 0.00 C ATOM 1798 CG ARG A 118 10.144 2.341 -8.550 1.00 0.00 C ATOM 1799 CD ARG A 118 10.355 2.490 -10.057 1.00 0.00 C ATOM 1800 NE ARG A 118 11.264 1.460 -10.546 1.00 0.00 N ATOM 1801 CZ ARG A 118 10.810 0.282 -10.960 1.00 0.00 C ATOM 1802 NH1 ARG A 118 9.530 0.022 -10.916 1.00 0.00 N ATOM 1803 NH2 ARG A 118 11.643 -0.618 -11.406 1.00 0.00 N ATOM 0 H ARG A 118 7.384 4.642 -6.895 1.00 0.00 H new ATOM 0 HA ARG A 118 8.688 2.241 -6.278 1.00 0.00 H new ATOM 0 HB2 ARG A 118 8.135 3.135 -8.572 1.00 0.00 H new ATOM 0 HB3 ARG A 118 9.379 4.354 -8.379 1.00 0.00 H new ATOM 0 HG2 ARG A 118 11.082 2.512 -8.021 1.00 0.00 H new ATOM 0 HG3 ARG A 118 9.825 1.326 -8.314 1.00 0.00 H new ATOM 0 HD2 ARG A 118 9.398 2.415 -10.574 1.00 0.00 H new ATOM 0 HD3 ARG A 118 10.761 3.477 -10.278 1.00 0.00 H new ATOM 0 HE ARG A 118 12.266 1.647 -10.571 1.00 0.00 H new ATOM 0 HH11 ARG A 118 8.879 0.724 -10.564 1.00 0.00 H new ATOM 0 HH12 ARG A 118 9.182 -0.883 -11.234 1.00 0.00 H new ATOM 0 HH21 ARG A 118 12.643 -0.417 -11.437 1.00 0.00 H new ATOM 0 HH22 ARG A 118 11.295 -1.522 -11.724 1.00 0.00 H new ATOM 1817 N ASN A 119 10.493 4.964 -5.824 1.00 0.00 N ATOM 1818 CA ASN A 119 11.715 5.466 -5.205 1.00 0.00 C ATOM 1819 C ASN A 119 11.781 5.064 -3.736 1.00 0.00 C ATOM 1820 O ASN A 119 12.853 4.759 -3.211 1.00 0.00 O ATOM 1821 CB ASN A 119 11.767 6.990 -5.319 1.00 0.00 C ATOM 1822 CG ASN A 119 11.845 7.399 -6.786 1.00 0.00 C ATOM 1823 OD1 ASN A 119 12.162 6.576 -7.644 1.00 0.00 O ATOM 1824 ND2 ASN A 119 11.569 8.628 -7.126 1.00 0.00 N ATOM 0 H ASN A 119 9.870 5.688 -6.183 1.00 0.00 H new ATOM 0 HA ASN A 119 12.567 5.030 -5.726 1.00 0.00 H new ATOM 0 HB2 ASN A 119 10.882 7.428 -4.857 1.00 0.00 H new ATOM 0 HB3 ASN A 119 12.632 7.374 -4.779 1.00 0.00 H new ATOM 0 HD21 ASN A 119 11.616 8.909 -8.105 1.00 0.00 H new ATOM 0 HD22 ASN A 119 11.307 9.308 -6.412 1.00 0.00 H new ATOM 1831 N ASP A 120 10.627 5.072 -3.076 1.00 0.00 N ATOM 1832 CA ASP A 120 10.562 4.710 -1.666 1.00 0.00 C ATOM 1833 C ASP A 120 11.037 3.277 -1.452 1.00 0.00 C ATOM 1834 O ASP A 120 11.706 2.979 -0.466 1.00 0.00 O ATOM 1835 CB ASP A 120 9.127 4.856 -1.155 1.00 0.00 C ATOM 1836 CG ASP A 120 8.721 6.326 -1.157 1.00 0.00 C ATOM 1837 OD1 ASP A 120 9.595 7.160 -1.324 1.00 0.00 O ATOM 1838 OD2 ASP A 120 7.543 6.595 -0.989 1.00 0.00 O ATOM 0 H ASP A 120 9.730 5.323 -3.492 1.00 0.00 H new ATOM 0 HA ASP A 120 11.217 5.381 -1.110 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.448 4.281 -1.785 1.00 0.00 H new ATOM 0 HB3 ASP A 120 9.048 4.449 -0.147 1.00 0.00 H new ATOM 1843 N VAL A 121 10.685 2.394 -2.380 1.00 0.00 N ATOM 1844 CA VAL A 121 11.084 0.995 -2.273 1.00 0.00 C ATOM 1845 C VAL A 121 12.605 0.865 -2.306 1.00 0.00 C ATOM 1846 O VAL A 121 13.194 0.138 -1.506 1.00 0.00 O ATOM 1847 CB VAL A 121 10.477 0.192 -3.423 1.00 0.00 C ATOM 1848 CG1 VAL A 121 11.017 -1.239 -3.385 1.00 0.00 C ATOM 1849 CG2 VAL A 121 8.954 0.166 -3.280 1.00 0.00 C ATOM 0 H VAL A 121 10.130 2.618 -3.206 1.00 0.00 H new ATOM 0 HA VAL A 121 10.719 0.604 -1.323 1.00 0.00 H new ATOM 0 HB VAL A 121 10.744 0.657 -4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 121 10.585 -1.813 -4.205 1.00 0.00 H new ATOM 0 HG12 VAL A 121 12.102 -1.221 -3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 121 10.749 -1.704 -2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.521 -0.407 -4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.686 -0.299 -2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.569 1.185 -3.306 1.00 0.00 H new ATOM 1859 N LEU A 122 13.234 1.578 -3.235 1.00 0.00 N ATOM 1860 CA LEU A 122 14.687 1.540 -3.366 1.00 0.00 C ATOM 1861 C LEU A 122 15.362 2.167 -2.149 1.00 0.00 C ATOM 1862 O LEU A 122 16.466 1.775 -1.773 1.00 0.00 O ATOM 1863 CB LEU A 122 15.116 2.277 -4.636 1.00 0.00 C ATOM 1864 CG LEU A 122 14.521 1.573 -5.858 1.00 0.00 C ATOM 1865 CD1 LEU A 122 14.868 2.357 -7.124 1.00 0.00 C ATOM 1866 CD2 LEU A 122 15.104 0.161 -5.965 1.00 0.00 C ATOM 0 H LEU A 122 12.764 2.186 -3.905 1.00 0.00 H new ATOM 0 HA LEU A 122 14.997 0.497 -3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 122 14.779 3.313 -4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 122 16.203 2.298 -4.708 1.00 0.00 H new ATOM 0 HG LEU A 122 13.438 1.518 -5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 122 14.443 1.853 -7.992 1.00 0.00 H new ATOM 0 HD12 LEU A 122 14.458 3.364 -7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 122 15.951 2.413 -7.232 1.00 0.00 H new ATOM 0 HD21 LEU A 122 14.681 -0.342 -6.835 1.00 0.00 H new ATOM 0 HD22 LEU A 122 16.187 0.222 -6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 122 14.859 -0.403 -5.065 1.00 0.00 H new ATOM 1878 N ASN A 123 14.695 3.146 -1.545 1.00 0.00 N ATOM 1879 CA ASN A 123 15.239 3.828 -0.374 1.00 0.00 C ATOM 1880 C ASN A 123 16.567 4.504 -0.702 1.00 0.00 C ATOM 1881 O ASN A 123 17.526 4.405 0.061 1.00 0.00 O ATOM 1882 CB ASN A 123 15.446 2.833 0.773 1.00 0.00 C ATOM 1883 CG ASN A 123 14.117 2.195 1.165 1.00 0.00 C ATOM 1884 OD1 ASN A 123 13.120 2.894 1.336 1.00 0.00 O ATOM 1885 ND2 ASN A 123 14.045 0.901 1.315 1.00 0.00 N ATOM 0 H ASN A 123 13.781 3.484 -1.845 1.00 0.00 H new ATOM 0 HA ASN A 123 14.522 4.591 -0.070 1.00 0.00 H new ATOM 0 HB2 ASN A 123 16.153 2.061 0.471 1.00 0.00 H new ATOM 0 HB3 ASN A 123 15.880 3.343 1.633 1.00 0.00 H new ATOM 0 HD21 ASN A 123 13.160 0.466 1.575 1.00 0.00 H new ATOM 0 HD22 ASN A 123 14.874 0.324 1.172 1.00 0.00 H new ATOM 1892 N ARG A 124 16.616 5.198 -1.836 1.00 0.00 N ATOM 1893 CA ARG A 124 17.840 5.889 -2.235 1.00 0.00 C ATOM 1894 C ARG A 124 17.857 7.310 -1.682 1.00 0.00 C ATOM 1895 O ARG A 124 18.512 7.525 -0.676 1.00 0.00 O ATOM 1896 CB ARG A 124 17.957 5.932 -3.760 1.00 0.00 C ATOM 1897 CG ARG A 124 18.092 4.511 -4.305 1.00 0.00 C ATOM 1898 CD ARG A 124 19.365 4.406 -5.147 1.00 0.00 C ATOM 1899 NE ARG A 124 20.541 4.546 -4.294 1.00 0.00 N ATOM 1900 CZ ARG A 124 21.718 4.903 -4.797 1.00 0.00 C ATOM 1901 NH1 ARG A 124 21.841 5.131 -6.076 1.00 0.00 N ATOM 1902 NH2 ARG A 124 22.752 5.026 -4.011 1.00 0.00 N ATOM 1903 OXT ARG A 124 17.217 8.163 -2.276 1.00 0.00 O ATOM 0 H ARG A 124 15.836 5.297 -2.486 1.00 0.00 H new ATOM 0 HA ARG A 124 18.688 5.339 -1.827 1.00 0.00 H new ATOM 0 HB2 ARG A 124 17.079 6.415 -4.189 1.00 0.00 H new ATOM 0 HB3 ARG A 124 18.822 6.528 -4.052 1.00 0.00 H new ATOM 0 HG2 ARG A 124 18.127 3.797 -3.483 1.00 0.00 H new ATOM 0 HG3 ARG A 124 17.221 4.258 -4.910 1.00 0.00 H new ATOM 0 HD2 ARG A 124 19.392 3.446 -5.662 1.00 0.00 H new ATOM 0 HD3 ARG A 124 19.368 5.180 -5.914 1.00 0.00 H new ATOM 0 HE ARG A 124 20.458 4.367 -3.293 1.00 0.00 H new ATOM 0 HH11 ARG A 124 21.033 5.035 -6.691 1.00 0.00 H new ATOM 0 HH12 ARG A 124 22.745 5.405 -6.461 1.00 0.00 H new ATOM 0 HH21 ARG A 124 22.657 4.848 -3.011 1.00 0.00 H new ATOM 0 HH22 ARG A 124 23.656 5.300 -4.396 1.00 0.00 H new TER 1917 ARG A 124 HETATM 1918 FE HEB A 125 5.003 -2.286 2.298 1.00 0.00 FE HETATM 1919 CHA HEB A 125 4.833 -2.522 5.668 1.00 0.00 C HETATM 1920 CHB HEB A 125 2.912 0.372 2.373 1.00 0.00 C HETATM 1921 CHC HEB A 125 5.178 -2.059 -1.080 1.00 0.00 C HETATM 1922 CHD HEB A 125 7.059 -4.973 2.211 1.00 0.00 C HETATM 1923 NA HEB A 125 4.082 -1.288 3.711 1.00 0.00 N HETATM 1924 C1A HEB A 125 4.119 -1.510 5.072 1.00 0.00 C HETATM 1925 C2A HEB A 125 3.304 -0.551 5.789 1.00 0.00 C HETATM 1926 C3A HEB A 125 2.754 0.262 4.848 1.00 0.00 C HETATM 1927 C4A HEB A 125 3.243 -0.202 3.574 1.00 0.00 C HETATM 1928 CMA HEB A 125 1.809 1.401 5.065 1.00 0.00 C HETATM 1929 CAA HEB A 125 3.115 -0.470 7.273 1.00 0.00 C HETATM 1930 CBA HEB A 125 1.932 -1.312 7.754 1.00 0.00 C HETATM 1931 CGA HEB A 125 1.892 -1.327 9.277 1.00 0.00 C HETATM 1932 O1A HEB A 125 2.257 -0.325 9.869 1.00 0.00 O HETATM 1933 O2A HEB A 125 1.498 -2.340 9.830 1.00 0.00 O HETATM 1934 NB HEB A 125 4.218 -1.101 0.945 1.00 0.00 N HETATM 1935 C1B HEB A 125 3.361 -0.040 1.147 1.00 0.00 C HETATM 1936 C2B HEB A 125 2.993 0.593 -0.088 1.00 0.00 C HETATM 1937 C3B HEB A 125 3.625 -0.076 -1.078 1.00 0.00 C HETATM 1938 C4B HEB A 125 4.390 -1.133 -0.428 1.00 0.00 C HETATM 1939 CMB HEB A 125 2.086 1.766 -0.248 1.00 0.00 C HETATM 1940 CAB HEB A 125 3.514 0.224 -2.543 1.00 0.00 C HETATM 1941 CBB HEB A 125 2.062 0.222 -3.022 1.00 0.00 C HETATM 1942 NC HEB A 125 5.913 -3.288 0.886 1.00 0.00 N HETATM 1943 C1C HEB A 125 5.886 -3.060 -0.473 1.00 0.00 C HETATM 1944 C2C HEB A 125 6.692 -4.018 -1.185 1.00 0.00 C HETATM 1945 C3C HEB A 125 7.219 -4.843 -0.256 1.00 0.00 C HETATM 1946 C4C HEB A 125 6.734 -4.386 1.019 1.00 0.00 C HETATM 1947 CMC HEB A 125 6.906 -4.085 -2.659 1.00 0.00 C HETATM 1948 CAC HEB A 125 8.058 -5.916 -0.484 1.00 0.00 C HETATM 1949 CBC HEB A 125 7.562 -7.119 -0.942 1.00 0.00 C HETATM 1950 ND HEB A 125 5.778 -3.482 3.644 1.00 0.00 N HETATM 1951 C1D HEB A 125 6.620 -4.558 3.445 1.00 0.00 C HETATM 1952 C2D HEB A 125 6.978 -5.192 4.698 1.00 0.00 C HETATM 1953 C3D HEB A 125 6.337 -4.491 5.673 1.00 0.00 C HETATM 1954 C4D HEB A 125 5.606 -3.442 5.010 1.00 0.00 C HETATM 1955 CMD HEB A 125 7.876 -6.378 4.879 1.00 0.00 C HETATM 1956 CAD HEB A 125 6.352 -4.756 7.146 1.00 0.00 C HETATM 1957 CBD HEB A 125 5.064 -5.430 7.624 1.00 0.00 C HETATM 1958 CGD HEB A 125 5.043 -5.495 9.147 1.00 0.00 C HETATM 1959 O1D HEB A 125 4.325 -4.709 9.743 1.00 0.00 O HETATM 1960 O2D HEB A 125 5.746 -6.328 9.695 1.00 0.00 O HETATM 0 HMD3 HEB A 125 7.464 -7.232 4.341 1.00 0.00 H new HETATM 0 HMD2 HEB A 125 8.867 -6.147 4.489 1.00 0.00 H new HETATM 0 HMD1 HEB A 125 7.951 -6.619 5.939 1.00 0.00 H new HETATM 0 HMC3 HEB A 125 5.948 -4.228 -3.160 1.00 0.00 H new HETATM 0 HMC2 HEB A 125 7.360 -3.156 -3.003 1.00 0.00 H new HETATM 0 HMC1 HEB A 125 7.566 -4.920 -2.893 1.00 0.00 H new HETATM 0 HMB3 HEB A 125 1.101 1.521 0.148 1.00 0.00 H new HETATM 0 HMB2 HEB A 125 2.494 2.618 0.296 1.00 0.00 H new HETATM 0 HMB1 HEB A 125 2.000 2.018 -1.305 1.00 0.00 H new HETATM 0 HMA3 HEB A 125 0.902 1.035 5.546 1.00 0.00 H new HETATM 0 HMA2 HEB A 125 2.281 2.149 5.702 1.00 0.00 H new HETATM 0 HMA1 HEB A 125 1.555 1.851 4.105 1.00 0.00 H new HETATM 0 HBD2 HEB A 125 4.198 -4.875 7.264 1.00 0.00 H new HETATM 0 HBD1 HEB A 125 4.994 -6.435 7.208 1.00 0.00 H new HETATM 0 HBC2 HEB A 125 8.238 -7.956 -1.117 1.00 0.00 H new HETATM 0 HBC1 HEB A 125 6.494 -7.232 -1.129 1.00 0.00 H new HETATM 0 HBB3 HEB A 125 1.621 -0.758 -2.842 1.00 0.00 H new HETATM 0 HBB2 HEB A 125 1.498 0.979 -2.477 1.00 0.00 H new HETATM 0 HBB1 HEB A 125 2.030 0.444 -4.089 1.00 0.00 H new HETATM 0 HBA2 HEB A 125 1.001 -0.904 7.361 1.00 0.00 H new HETATM 0 HBA1 HEB A 125 2.020 -2.330 7.374 1.00 0.00 H new HETATM 0 HAD2 HEB A 125 7.204 -5.390 7.391 1.00 0.00 H new HETATM 0 HAD1 HEB A 125 6.489 -3.816 7.681 1.00 0.00 H new HETATM 0 HAA2 HEB A 125 4.024 -0.806 7.772 1.00 0.00 H new HETATM 0 HAA1 HEB A 125 2.959 0.570 7.561 1.00 0.00 H new HETATM 0 HHD HEB A 125 7.719 -5.840 2.179 1.00 0.00 H new HETATM 0 HHC HEB A 125 5.242 -1.987 -2.166 1.00 0.00 H new HETATM 0 HHB HEB A 125 2.236 1.227 2.397 1.00 0.00 H new HETATM 0 HHA HEB A 125 4.780 -2.599 6.754 1.00 0.00 H new HETATM 0 HAC HEB A 125 9.127 -5.811 -0.299 1.00 0.00 H new HETATM 0 HAB HEB A 125 4.083 -0.515 -3.108 1.00 0.00 H new