USER MOD reduce.3.24.130724 H: found=0, std=0, add=1019, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1021 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 127 TYR OH : rot 35:sc= 0.94 USER MOD Set 2.1: A 41 HIS : no HD1:sc= -0.101 X(o=0.11,f=0.047) USER MOD Set 2.2: A 134 THR OG1 : rot 94:sc= 0.208 USER MOD Set 3.1: A 33 GLN : amide:sc= -2.89! C(o=-2.9!,f=-3.8!) USER MOD Set 3.2: A 37 GLN :FLIP amide:sc=-0.00376 F(o=-4.1,f=-2.9) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 160:sc= 1.03 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -110:sc= -0.747 USER MOD Single : A 16 LYS NZ :NH3+ -140:sc= -1.15 (180deg=-2.82!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 105:sc= -1.14 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 62:sc= 0.371 USER MOD Single : A 31 THR OG1 : rot -125:sc= 0.685 USER MOD Single : A 32 THR OG1 : rot -140:sc= -0.096 USER MOD Single : A 40 THR OG1 : rot -53:sc= -0.522 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -156:sc= -0.0737 (180deg=-0.506) USER MOD Single : A 55 HIS : no HE2:sc= -10.2! C(o=-10!,f=-14!) USER MOD Single : A 56 MET CE :methyl 140:sc= -0.023 (180deg=-1.04) USER MOD Single : A 60 ASN : amide:sc= 0.122 K(o=0.12,f=-2.1!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -2:sc= 0.484 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -9.2! C(o=-11!,f=-9.2!) USER MOD Single : A 77 LYS NZ :NH3+ -170:sc= 0.277 (180deg=0.235) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -2.33! C(o=-2.3!,f=-2.9!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0464 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0.451 X(o=0.45,f=0) USER MOD Single : A 102 THR OG1 : rot 80:sc= -0.892 USER MOD Single : A 105 CYS SG : rot 180:sc= -0.0357 USER MOD Single : A 106 MET CE :methyl -123:sc= -5.84! (180deg=-7.66!) USER MOD Single : A 119 THR OG1 : rot 78:sc= 0.913 USER MOD Single : A 121 GLN : amide:sc= -1.03 X(o=-1,f=-1.1) USER MOD Single : A 124 GLN : amide:sc= -7.52! C(o=-7.5!,f=-9.2!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ -154:sc= 0.88 (180deg=-0.661) USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 TYR OH : rot 180:sc=-0.00234 USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 20.103 -0.322 5.505 1.00 0.00 N ATOM 67 CA ILE A 8 18.970 -1.192 5.793 1.00 0.00 C ATOM 68 C ILE A 8 18.425 -1.825 4.518 1.00 0.00 C ATOM 69 O ILE A 8 18.271 -1.170 3.487 1.00 0.00 O ATOM 70 CB ILE A 8 17.836 -0.425 6.498 1.00 0.00 C ATOM 71 CG1 ILE A 8 18.010 -0.495 8.016 1.00 0.00 C ATOM 72 CG2 ILE A 8 16.483 -0.985 6.087 1.00 0.00 C ATOM 73 CD1 ILE A 8 16.708 -0.387 8.779 1.00 0.00 C ATOM 0 HA ILE A 8 19.335 -1.976 6.457 1.00 0.00 H new ATOM 0 HB ILE A 8 17.881 0.621 6.195 1.00 0.00 H new ATOM 0 HG12 ILE A 8 18.497 -1.435 8.275 1.00 0.00 H new ATOM 0 HG13 ILE A 8 18.676 0.307 8.335 1.00 0.00 H new ATOM 0 HG21 ILE A 8 15.692 -0.433 6.594 1.00 0.00 H new ATOM 0 HG22 ILE A 8 16.361 -0.887 5.008 1.00 0.00 H new ATOM 0 HG23 ILE A 8 16.425 -2.038 6.364 1.00 0.00 H new ATOM 0 HD11 ILE A 8 16.908 -0.444 9.849 1.00 0.00 H new ATOM 0 HD12 ILE A 8 16.230 0.565 8.550 1.00 0.00 H new ATOM 0 HD13 ILE A 8 16.047 -1.204 8.489 1.00 0.00 H new ATOM 85 N PRO A 9 18.123 -3.130 4.587 1.00 0.00 N ATOM 86 CA PRO A 9 17.587 -3.881 3.448 1.00 0.00 C ATOM 87 C PRO A 9 16.091 -3.655 3.256 1.00 0.00 C ATOM 88 O PRO A 9 15.354 -3.454 4.222 1.00 0.00 O ATOM 89 CB PRO A 9 17.864 -5.339 3.822 1.00 0.00 C ATOM 90 CG PRO A 9 17.881 -5.352 5.311 1.00 0.00 C ATOM 91 CD PRO A 9 18.281 -3.974 5.784 1.00 0.00 C ATOM 0 HA PRO A 9 18.043 -3.574 2.507 1.00 0.00 H new ATOM 0 HB2 PRO A 9 17.093 -6.002 3.429 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.815 -5.679 3.412 1.00 0.00 H new ATOM 0 HG2 PRO A 9 16.899 -5.619 5.701 1.00 0.00 H new ATOM 0 HG3 PRO A 9 18.584 -6.100 5.678 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.646 -3.632 6.601 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.307 -3.960 6.151 1.00 0.00 H new ATOM 99 N THR A 10 15.648 -3.689 2.004 1.00 0.00 N ATOM 100 CA THR A 10 14.240 -3.487 1.686 1.00 0.00 C ATOM 101 C THR A 10 13.774 -4.461 0.610 1.00 0.00 C ATOM 102 O THR A 10 14.578 -5.195 0.033 1.00 0.00 O ATOM 103 CB THR A 10 13.972 -2.047 1.209 1.00 0.00 C ATOM 104 OG1 THR A 10 14.698 -1.788 0.002 1.00 0.00 O ATOM 105 CG2 THR A 10 14.375 -1.040 2.276 1.00 0.00 C ATOM 0 H THR A 10 16.244 -3.855 1.193 1.00 0.00 H new ATOM 0 HA THR A 10 13.680 -3.668 2.604 1.00 0.00 H new ATOM 0 HB THR A 10 12.904 -1.943 1.019 1.00 0.00 H new ATOM 0 HG1 THR A 10 14.521 -0.871 -0.296 1.00 0.00 H new ATOM 0 HG21 THR A 10 14.177 -0.030 1.917 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.800 -1.222 3.184 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.438 -1.146 2.493 1.00 0.00 H new ATOM 113 N CYS A 11 12.473 -4.463 0.343 1.00 0.00 N ATOM 114 CA CYS A 11 11.900 -5.348 -0.665 1.00 0.00 C ATOM 115 C CYS A 11 10.706 -4.691 -1.350 1.00 0.00 C ATOM 116 O CYS A 11 10.242 -3.630 -0.931 1.00 0.00 O ATOM 117 CB CYS A 11 11.473 -6.671 -0.028 1.00 0.00 C ATOM 118 SG CYS A 11 12.769 -7.932 -0.007 1.00 0.00 S ATOM 0 H CYS A 11 11.795 -3.862 0.811 1.00 0.00 H new ATOM 0 HA CYS A 11 12.664 -5.545 -1.417 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.149 -6.481 0.995 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.610 -7.061 -0.569 1.00 0.00 H new ATOM 0 HG CYS A 11 12.491 -8.825 0.896 1.00 0.00 H new ATOM 124 N LYS A 12 10.215 -5.326 -2.408 1.00 0.00 N ATOM 125 CA LYS A 12 9.075 -4.805 -3.154 1.00 0.00 C ATOM 126 C LYS A 12 7.781 -5.481 -2.713 1.00 0.00 C ATOM 127 O LYS A 12 7.720 -6.704 -2.591 1.00 0.00 O ATOM 128 CB LYS A 12 9.285 -5.010 -4.656 1.00 0.00 C ATOM 129 CG LYS A 12 8.024 -4.809 -5.479 1.00 0.00 C ATOM 130 CD LYS A 12 8.347 -4.340 -6.888 1.00 0.00 C ATOM 131 CE LYS A 12 8.356 -5.499 -7.872 1.00 0.00 C ATOM 132 NZ LYS A 12 8.255 -5.030 -9.282 1.00 0.00 N ATOM 0 H LYS A 12 10.589 -6.204 -2.769 1.00 0.00 H new ATOM 0 HA LYS A 12 8.995 -3.738 -2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.051 -4.318 -5.005 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.664 -6.018 -4.827 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.465 -5.744 -5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.381 -4.077 -4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.612 -3.599 -7.203 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.319 -3.848 -6.895 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.272 -6.076 -7.746 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.525 -6.169 -7.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.264 -5.850 -9.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.368 -4.501 -9.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.062 -4.411 -9.501 1.00 0.00 H new ATOM 146 N ILE A 13 6.750 -4.677 -2.477 1.00 0.00 N ATOM 147 CA ILE A 13 5.457 -5.199 -2.053 1.00 0.00 C ATOM 148 C ILE A 13 4.392 -4.965 -3.119 1.00 0.00 C ATOM 149 O ILE A 13 3.645 -3.988 -3.063 1.00 0.00 O ATOM 150 CB ILE A 13 4.995 -4.554 -0.733 1.00 0.00 C ATOM 151 CG1 ILE A 13 6.040 -4.778 0.363 1.00 0.00 C ATOM 152 CG2 ILE A 13 3.647 -5.119 -0.310 1.00 0.00 C ATOM 153 CD1 ILE A 13 6.288 -6.237 0.672 1.00 0.00 C ATOM 0 H ILE A 13 6.785 -3.662 -2.572 1.00 0.00 H new ATOM 0 HA ILE A 13 5.585 -6.271 -1.900 1.00 0.00 H new ATOM 0 HB ILE A 13 4.884 -3.481 -0.890 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.979 -4.315 0.059 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.715 -4.273 1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.334 -4.653 0.625 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.907 -4.913 -1.084 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.733 -6.196 -0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.039 -6.320 1.457 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.360 -6.701 1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.643 -6.744 -0.225 1.00 0.00 H new ATOM 165 N THR A 14 4.327 -5.869 -4.091 1.00 0.00 N ATOM 166 CA THR A 14 3.354 -5.762 -5.171 1.00 0.00 C ATOM 167 C THR A 14 2.132 -6.631 -4.898 1.00 0.00 C ATOM 168 O THR A 14 2.209 -7.860 -4.941 1.00 0.00 O ATOM 169 CB THR A 14 3.968 -6.171 -6.523 1.00 0.00 C ATOM 170 OG1 THR A 14 5.380 -5.932 -6.512 1.00 0.00 O ATOM 171 CG2 THR A 14 3.328 -5.395 -7.665 1.00 0.00 C ATOM 0 H THR A 14 4.937 -6.684 -4.153 1.00 0.00 H new ATOM 0 HA THR A 14 3.050 -4.716 -5.220 1.00 0.00 H new ATOM 0 HB THR A 14 3.780 -7.234 -6.675 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.590 -5.185 -7.110 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.778 -5.701 -8.610 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.258 -5.600 -7.689 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.490 -4.328 -7.515 1.00 0.00 H new ATOM 179 N LEU A 15 1.005 -5.987 -4.617 1.00 0.00 N ATOM 180 CA LEU A 15 -0.236 -6.702 -4.337 1.00 0.00 C ATOM 181 C LEU A 15 -1.320 -6.326 -5.342 1.00 0.00 C ATOM 182 O LEU A 15 -1.655 -5.152 -5.500 1.00 0.00 O ATOM 183 CB LEU A 15 -0.714 -6.398 -2.917 1.00 0.00 C ATOM 184 CG LEU A 15 0.301 -6.645 -1.800 1.00 0.00 C ATOM 185 CD1 LEU A 15 0.037 -5.718 -0.624 1.00 0.00 C ATOM 186 CD2 LEU A 15 0.259 -8.100 -1.354 1.00 0.00 C ATOM 0 H LEU A 15 0.924 -4.971 -4.577 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.038 -7.770 -4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.024 -5.354 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.599 -7.001 -2.716 1.00 0.00 H new ATOM 0 HG LEU A 15 1.297 -6.432 -2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.769 -5.908 0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.118 -4.682 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.966 -5.898 -0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.988 -8.258 -0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.738 -8.339 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.498 -8.746 -2.198 1.00 0.00 H new ATOM 198 N LYS A 16 -1.866 -7.330 -6.019 1.00 0.00 N ATOM 199 CA LYS A 16 -2.916 -7.107 -7.007 1.00 0.00 C ATOM 200 C LYS A 16 -4.223 -7.760 -6.569 1.00 0.00 C ATOM 201 O LYS A 16 -4.382 -8.976 -6.667 1.00 0.00 O ATOM 202 CB LYS A 16 -2.488 -7.658 -8.369 1.00 0.00 C ATOM 203 CG LYS A 16 -1.420 -6.824 -9.054 1.00 0.00 C ATOM 204 CD LYS A 16 -0.023 -7.293 -8.683 1.00 0.00 C ATOM 205 CE LYS A 16 0.392 -8.509 -9.498 1.00 0.00 C ATOM 206 NZ LYS A 16 -0.137 -9.773 -8.914 1.00 0.00 N ATOM 0 H LYS A 16 -1.599 -8.307 -5.902 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.079 -6.033 -7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.116 -8.674 -8.240 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.362 -7.718 -9.018 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.549 -6.882 -10.135 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.540 -5.777 -8.775 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.689 -6.484 -8.847 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.010 -7.537 -7.621 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.030 -8.402 -10.521 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.480 -8.559 -9.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.588 -10.516 -8.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.385 -9.617 -7.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.984 -10.070 -9.439 1.00 0.00 H new ATOM 220 N GLU A 17 -5.155 -6.944 -6.088 1.00 0.00 N ATOM 221 CA GLU A 17 -6.448 -7.444 -5.636 1.00 0.00 C ATOM 222 C GLU A 17 -7.585 -6.809 -6.432 1.00 0.00 C ATOM 223 O GLU A 17 -7.533 -5.628 -6.777 1.00 0.00 O ATOM 224 CB GLU A 17 -6.636 -7.164 -4.144 1.00 0.00 C ATOM 225 CG GLU A 17 -7.634 -8.091 -3.471 1.00 0.00 C ATOM 226 CD GLU A 17 -7.248 -9.552 -3.596 1.00 0.00 C ATOM 227 OE1 GLU A 17 -6.036 -9.852 -3.559 1.00 0.00 O ATOM 228 OE2 GLU A 17 -8.159 -10.396 -3.729 1.00 0.00 O ATOM 0 H GLU A 17 -5.039 -5.934 -6.001 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.470 -8.521 -5.801 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.673 -7.255 -3.642 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.966 -6.133 -4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.714 -7.829 -2.416 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.619 -7.940 -3.912 1.00 0.00 H new ATOM 235 N THR A 18 -8.613 -7.601 -6.720 1.00 0.00 N ATOM 236 CA THR A 18 -9.762 -7.119 -7.476 1.00 0.00 C ATOM 237 C THR A 18 -10.877 -6.657 -6.545 1.00 0.00 C ATOM 238 O THR A 18 -11.073 -7.219 -5.468 1.00 0.00 O ATOM 239 CB THR A 18 -10.312 -8.206 -8.418 1.00 0.00 C ATOM 240 OG1 THR A 18 -9.233 -8.845 -9.111 1.00 0.00 O ATOM 241 CG2 THR A 18 -11.284 -7.609 -9.424 1.00 0.00 C ATOM 0 H THR A 18 -8.673 -8.580 -6.441 1.00 0.00 H new ATOM 0 HA THR A 18 -9.416 -6.274 -8.072 1.00 0.00 H new ATOM 0 HB THR A 18 -10.844 -8.943 -7.816 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.591 -9.536 -9.707 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.659 -8.396 -10.078 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.118 -7.149 -8.895 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.772 -6.854 -10.021 1.00 0.00 H new ATOM 249 N PHE A 19 -11.608 -5.631 -6.968 1.00 0.00 N ATOM 250 CA PHE A 19 -12.705 -5.093 -6.172 1.00 0.00 C ATOM 251 C PHE A 19 -14.021 -5.166 -6.940 1.00 0.00 C ATOM 252 O PHE A 19 -14.060 -4.942 -8.150 1.00 0.00 O ATOM 253 CB PHE A 19 -12.413 -3.645 -5.775 1.00 0.00 C ATOM 254 CG PHE A 19 -11.337 -3.513 -4.735 1.00 0.00 C ATOM 255 CD1 PHE A 19 -10.000 -3.499 -5.100 1.00 0.00 C ATOM 256 CD2 PHE A 19 -11.662 -3.404 -3.393 1.00 0.00 C ATOM 257 CE1 PHE A 19 -9.008 -3.379 -4.145 1.00 0.00 C ATOM 258 CE2 PHE A 19 -10.674 -3.283 -2.433 1.00 0.00 C ATOM 259 CZ PHE A 19 -9.346 -3.270 -2.810 1.00 0.00 C ATOM 0 H PHE A 19 -11.460 -5.155 -7.858 1.00 0.00 H new ATOM 0 HA PHE A 19 -12.797 -5.698 -5.270 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.119 -3.086 -6.663 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -13.328 -3.188 -5.399 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.730 -3.583 -6.142 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.699 -3.414 -3.093 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.970 -3.370 -4.442 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.941 -3.199 -1.390 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.572 -3.175 -2.062 1.00 0.00 H new ATOM 269 N LEU A 20 -15.097 -5.482 -6.228 1.00 0.00 N ATOM 270 CA LEU A 20 -16.417 -5.586 -6.842 1.00 0.00 C ATOM 271 C LEU A 20 -17.053 -4.209 -7.002 1.00 0.00 C ATOM 272 O LEU A 20 -18.258 -4.043 -6.814 1.00 0.00 O ATOM 273 CB LEU A 20 -17.324 -6.484 -5.998 1.00 0.00 C ATOM 274 CG LEU A 20 -17.047 -7.985 -6.082 1.00 0.00 C ATOM 275 CD1 LEU A 20 -17.387 -8.514 -7.467 1.00 0.00 C ATOM 276 CD2 LEU A 20 -15.595 -8.280 -5.738 1.00 0.00 C ATOM 0 H LEU A 20 -15.082 -5.671 -5.226 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.297 -6.028 -7.831 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.238 -6.177 -4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.357 -6.308 -6.298 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.681 -8.493 -5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.183 -9.584 -7.508 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.442 -8.337 -7.675 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.779 -8.000 -8.212 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -15.416 -9.353 -5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.942 -7.760 -6.439 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.384 -7.938 -4.725 1.00 0.00 H new ATOM 288 N THR A 21 -16.234 -3.222 -7.353 1.00 0.00 N ATOM 289 CA THR A 21 -16.716 -1.859 -7.540 1.00 0.00 C ATOM 290 C THR A 21 -15.950 -1.154 -8.654 1.00 0.00 C ATOM 291 O THR A 21 -14.893 -1.616 -9.083 1.00 0.00 O ATOM 292 CB THR A 21 -16.589 -1.036 -6.245 1.00 0.00 C ATOM 293 OG1 THR A 21 -17.332 0.183 -6.365 1.00 0.00 O ATOM 294 CG2 THR A 21 -15.132 -0.720 -5.944 1.00 0.00 C ATOM 0 H THR A 21 -15.234 -3.341 -7.513 1.00 0.00 H new ATOM 0 HA THR A 21 -17.768 -1.930 -7.814 1.00 0.00 H new ATOM 0 HB THR A 21 -16.992 -1.628 -5.424 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.158 0.115 -5.843 1.00 0.00 H new ATOM 0 HG21 THR A 21 -15.068 -0.138 -5.025 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.575 -1.649 -5.824 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.707 -0.146 -6.767 1.00 0.00 H new ATOM 302 N SER A 22 -16.491 -0.032 -9.118 1.00 0.00 N ATOM 303 CA SER A 22 -15.860 0.736 -10.185 1.00 0.00 C ATOM 304 C SER A 22 -14.690 1.555 -9.647 1.00 0.00 C ATOM 305 O SER A 22 -14.641 1.916 -8.471 1.00 0.00 O ATOM 306 CB SER A 22 -16.881 1.662 -10.849 1.00 0.00 C ATOM 307 OG SER A 22 -17.832 0.920 -11.594 1.00 0.00 O ATOM 0 H SER A 22 -17.364 0.365 -8.772 1.00 0.00 H new ATOM 0 HA SER A 22 -15.480 0.034 -10.927 1.00 0.00 H new ATOM 0 HB2 SER A 22 -17.391 2.252 -10.088 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.367 2.364 -11.506 1.00 0.00 H new ATOM 0 HG SER A 22 -18.475 1.534 -12.007 1.00 0.00 H new ATOM 313 N PRO A 23 -13.724 1.855 -10.527 1.00 0.00 N ATOM 314 CA PRO A 23 -12.537 2.634 -10.165 1.00 0.00 C ATOM 315 C PRO A 23 -12.888 3.897 -9.386 1.00 0.00 C ATOM 316 O PRO A 23 -12.427 4.092 -8.262 1.00 0.00 O ATOM 317 CB PRO A 23 -11.922 2.995 -11.519 1.00 0.00 C ATOM 318 CG PRO A 23 -12.382 1.920 -12.442 1.00 0.00 C ATOM 319 CD PRO A 23 -13.717 1.457 -11.945 1.00 0.00 C ATOM 0 HA PRO A 23 -11.866 2.075 -9.513 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.256 3.976 -11.856 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.834 3.030 -11.463 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.459 2.295 -13.463 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.670 1.095 -12.459 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -14.533 1.925 -12.496 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -13.834 0.379 -12.058 1.00 0.00 H new ATOM 327 N GLU A 24 -13.706 4.752 -9.991 1.00 0.00 N ATOM 328 CA GLU A 24 -14.118 5.997 -9.353 1.00 0.00 C ATOM 329 C GLU A 24 -14.512 5.758 -7.898 1.00 0.00 C ATOM 330 O GLU A 24 -14.212 6.569 -7.023 1.00 0.00 O ATOM 331 CB GLU A 24 -15.289 6.623 -10.113 1.00 0.00 C ATOM 332 CG GLU A 24 -16.642 6.051 -9.725 1.00 0.00 C ATOM 333 CD GLU A 24 -17.717 6.348 -10.752 1.00 0.00 C ATOM 334 OE1 GLU A 24 -18.350 7.420 -10.655 1.00 0.00 O ATOM 335 OE2 GLU A 24 -17.927 5.508 -11.652 1.00 0.00 O ATOM 0 H GLU A 24 -14.097 4.606 -10.922 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.272 6.684 -9.375 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.294 7.698 -9.934 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.136 6.478 -11.182 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.553 4.972 -9.599 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.943 6.461 -8.761 1.00 0.00 H new ATOM 342 N GLU A 25 -15.185 4.639 -7.649 1.00 0.00 N ATOM 343 CA GLU A 25 -15.621 4.294 -6.301 1.00 0.00 C ATOM 344 C GLU A 25 -14.424 4.125 -5.369 1.00 0.00 C ATOM 345 O GLU A 25 -14.192 4.947 -4.482 1.00 0.00 O ATOM 346 CB GLU A 25 -16.451 3.009 -6.323 1.00 0.00 C ATOM 347 CG GLU A 25 -17.503 2.946 -5.229 1.00 0.00 C ATOM 348 CD GLU A 25 -18.828 3.546 -5.658 1.00 0.00 C ATOM 349 OE1 GLU A 25 -18.844 4.736 -6.037 1.00 0.00 O ATOM 350 OE2 GLU A 25 -19.847 2.826 -5.616 1.00 0.00 O ATOM 0 H GLU A 25 -15.440 3.956 -8.363 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.239 5.110 -5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -16.941 2.919 -7.292 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.783 2.153 -6.223 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -17.656 1.907 -4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -17.138 3.474 -4.348 1.00 0.00 H new ATOM 357 N LEU A 26 -13.668 3.052 -5.576 1.00 0.00 N ATOM 358 CA LEU A 26 -12.495 2.773 -4.755 1.00 0.00 C ATOM 359 C LEU A 26 -11.517 3.943 -4.788 1.00 0.00 C ATOM 360 O LEU A 26 -10.699 4.106 -3.882 1.00 0.00 O ATOM 361 CB LEU A 26 -11.801 1.499 -5.239 1.00 0.00 C ATOM 362 CG LEU A 26 -10.771 0.892 -4.286 1.00 0.00 C ATOM 363 CD1 LEU A 26 -11.462 0.236 -3.101 1.00 0.00 C ATOM 364 CD2 LEU A 26 -9.894 -0.113 -5.018 1.00 0.00 C ATOM 0 H LEU A 26 -13.846 2.361 -6.305 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.827 2.630 -3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.565 0.748 -5.443 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.307 1.716 -6.186 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.135 1.694 -3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.713 -0.191 -2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.046 0.982 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.123 -0.554 -3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.167 -0.535 -4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.516 -0.912 -5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.370 0.387 -5.833 1.00 0.00 H new ATOM 376 N TYR A 27 -11.608 4.754 -5.835 1.00 0.00 N ATOM 377 CA TYR A 27 -10.730 5.909 -5.986 1.00 0.00 C ATOM 378 C TYR A 27 -10.932 6.899 -4.843 1.00 0.00 C ATOM 379 O TYR A 27 -10.113 7.794 -4.630 1.00 0.00 O ATOM 380 CB TYR A 27 -10.989 6.601 -7.326 1.00 0.00 C ATOM 381 CG TYR A 27 -10.041 7.744 -7.609 1.00 0.00 C ATOM 382 CD1 TYR A 27 -8.681 7.627 -7.348 1.00 0.00 C ATOM 383 CD2 TYR A 27 -10.505 8.942 -8.138 1.00 0.00 C ATOM 384 CE1 TYR A 27 -7.812 8.669 -7.604 1.00 0.00 C ATOM 385 CE2 TYR A 27 -9.643 9.989 -8.400 1.00 0.00 C ATOM 386 CZ TYR A 27 -8.297 9.848 -8.131 1.00 0.00 C ATOM 387 OH TYR A 27 -7.435 10.889 -8.388 1.00 0.00 O ATOM 0 H TYR A 27 -12.281 4.634 -6.592 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.699 5.556 -5.960 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.908 5.866 -8.127 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.012 6.976 -7.340 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.297 6.705 -6.938 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.558 9.057 -8.348 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.758 8.562 -7.393 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.020 10.913 -8.813 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.779 10.612 -9.061 1.00 0.00 H new ATOM 397 N ARG A 28 -12.027 6.731 -4.109 1.00 0.00 N ATOM 398 CA ARG A 28 -12.337 7.609 -2.988 1.00 0.00 C ATOM 399 C ARG A 28 -11.908 6.977 -1.667 1.00 0.00 C ATOM 400 O ARG A 28 -11.226 7.606 -0.858 1.00 0.00 O ATOM 401 CB ARG A 28 -13.835 7.918 -2.954 1.00 0.00 C ATOM 402 CG ARG A 28 -14.455 8.082 -4.332 1.00 0.00 C ATOM 403 CD ARG A 28 -15.916 7.661 -4.340 1.00 0.00 C ATOM 404 NE ARG A 28 -16.799 8.744 -3.915 1.00 0.00 N ATOM 405 CZ ARG A 28 -18.125 8.665 -3.942 1.00 0.00 C ATOM 406 NH1 ARG A 28 -18.717 7.558 -4.370 1.00 0.00 N ATOM 407 NH2 ARG A 28 -18.861 9.693 -3.539 1.00 0.00 N ATOM 0 H ARG A 28 -12.714 5.995 -4.271 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.784 8.538 -3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.351 7.116 -2.426 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.996 8.831 -2.382 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.373 9.122 -4.647 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.899 7.485 -5.055 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.195 7.338 -5.343 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -16.050 6.804 -3.680 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.374 9.608 -3.579 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -18.154 6.765 -4.679 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -19.735 7.499 -4.390 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -18.409 10.545 -3.208 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -19.879 9.631 -3.560 1.00 0.00 H new ATOM 421 N VAL A 29 -12.311 5.728 -1.456 1.00 0.00 N ATOM 422 CA VAL A 29 -11.967 5.010 -0.234 1.00 0.00 C ATOM 423 C VAL A 29 -10.484 5.152 0.088 1.00 0.00 C ATOM 424 O VAL A 29 -10.066 4.968 1.232 1.00 0.00 O ATOM 425 CB VAL A 29 -12.316 3.514 -0.346 1.00 0.00 C ATOM 426 CG1 VAL A 29 -12.127 2.820 0.995 1.00 0.00 C ATOM 427 CG2 VAL A 29 -13.739 3.335 -0.852 1.00 0.00 C ATOM 0 H VAL A 29 -12.876 5.192 -2.115 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.554 5.454 0.570 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.639 3.054 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.378 1.764 0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.089 2.918 1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.778 3.280 1.738 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.968 2.272 -0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -14.434 3.809 -0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.836 3.795 -1.835 1.00 0.00 H new ATOM 437 N PHE A 30 -9.693 5.482 -0.927 1.00 0.00 N ATOM 438 CA PHE A 30 -8.255 5.649 -0.752 1.00 0.00 C ATOM 439 C PHE A 30 -7.879 7.128 -0.716 1.00 0.00 C ATOM 440 O PHE A 30 -6.820 7.500 -0.210 1.00 0.00 O ATOM 441 CB PHE A 30 -7.497 4.947 -1.880 1.00 0.00 C ATOM 442 CG PHE A 30 -7.365 3.464 -1.681 1.00 0.00 C ATOM 443 CD1 PHE A 30 -8.403 2.611 -2.019 1.00 0.00 C ATOM 444 CD2 PHE A 30 -6.202 2.923 -1.155 1.00 0.00 C ATOM 445 CE1 PHE A 30 -8.284 1.245 -1.838 1.00 0.00 C ATOM 446 CE2 PHE A 30 -6.078 1.559 -0.972 1.00 0.00 C ATOM 447 CZ PHE A 30 -7.120 0.719 -1.312 1.00 0.00 C ATOM 0 H PHE A 30 -10.023 5.639 -1.879 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.976 5.197 0.200 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.010 5.135 -2.823 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.502 5.384 -1.965 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.316 3.017 -2.429 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.384 3.575 -0.885 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.100 0.591 -2.107 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.166 1.150 -0.563 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.025 -0.347 -1.167 1.00 0.00 H new ATOM 457 N THR A 31 -8.756 7.968 -1.257 1.00 0.00 N ATOM 458 CA THR A 31 -8.517 9.406 -1.289 1.00 0.00 C ATOM 459 C THR A 31 -9.578 10.157 -0.492 1.00 0.00 C ATOM 460 O THR A 31 -9.841 11.333 -0.742 1.00 0.00 O ATOM 461 CB THR A 31 -8.502 9.941 -2.733 1.00 0.00 C ATOM 462 OG1 THR A 31 -9.808 9.830 -3.310 1.00 0.00 O ATOM 463 CG2 THR A 31 -7.501 9.174 -3.584 1.00 0.00 C ATOM 0 H THR A 31 -9.638 7.677 -1.679 1.00 0.00 H new ATOM 0 HA THR A 31 -7.539 9.574 -0.837 1.00 0.00 H new ATOM 0 HB THR A 31 -8.204 10.989 -2.705 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.753 9.329 -4.151 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.508 9.570 -4.600 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.503 9.283 -3.159 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.773 8.119 -3.604 1.00 0.00 H new ATOM 471 N THR A 32 -10.185 9.470 0.471 1.00 0.00 N ATOM 472 CA THR A 32 -11.217 10.072 1.305 1.00 0.00 C ATOM 473 C THR A 32 -11.080 9.627 2.757 1.00 0.00 C ATOM 474 O THR A 32 -11.417 8.495 3.102 1.00 0.00 O ATOM 475 CB THR A 32 -12.627 9.713 0.801 1.00 0.00 C ATOM 476 OG1 THR A 32 -12.728 9.978 -0.603 1.00 0.00 O ATOM 477 CG2 THR A 32 -13.688 10.506 1.549 1.00 0.00 C ATOM 0 H THR A 32 -9.979 8.496 0.692 1.00 0.00 H new ATOM 0 HA THR A 32 -11.082 11.152 1.245 1.00 0.00 H new ATOM 0 HB THR A 32 -12.794 8.651 0.983 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.606 10.366 -0.800 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.675 10.235 1.175 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.628 10.280 2.614 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.522 11.572 1.395 1.00 0.00 H new ATOM 485 N GLN A 33 -10.586 10.525 3.602 1.00 0.00 N ATOM 486 CA GLN A 33 -10.405 10.223 5.017 1.00 0.00 C ATOM 487 C GLN A 33 -11.604 9.459 5.568 1.00 0.00 C ATOM 488 O GLN A 33 -11.480 8.308 5.984 1.00 0.00 O ATOM 489 CB GLN A 33 -10.197 11.513 5.813 1.00 0.00 C ATOM 490 CG GLN A 33 -10.057 11.288 7.310 1.00 0.00 C ATOM 491 CD GLN A 33 -9.696 12.556 8.059 1.00 0.00 C ATOM 492 OE1 GLN A 33 -9.411 13.589 7.453 1.00 0.00 O ATOM 493 NE2 GLN A 33 -9.706 12.483 9.385 1.00 0.00 N ATOM 0 H GLN A 33 -10.304 11.467 3.332 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.520 9.595 5.118 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.304 12.017 5.445 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.038 12.182 5.632 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.993 10.892 7.703 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.291 10.533 7.490 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.948 11.606 9.846 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.471 13.304 9.943 1.00 0.00 H new ATOM 502 N GLU A 34 -12.764 10.109 5.569 1.00 0.00 N ATOM 503 CA GLU A 34 -13.986 9.490 6.070 1.00 0.00 C ATOM 504 C GLU A 34 -14.058 8.021 5.663 1.00 0.00 C ATOM 505 O GLU A 34 -14.123 7.132 6.513 1.00 0.00 O ATOM 506 CB GLU A 34 -15.214 10.237 5.547 1.00 0.00 C ATOM 507 CG GLU A 34 -16.529 9.546 5.869 1.00 0.00 C ATOM 508 CD GLU A 34 -17.711 10.496 5.835 1.00 0.00 C ATOM 509 OE1 GLU A 34 -18.062 10.964 4.731 1.00 0.00 O ATOM 510 OE2 GLU A 34 -18.283 10.772 6.909 1.00 0.00 O ATOM 0 H GLU A 34 -12.883 11.063 5.229 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.972 9.547 7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.227 11.241 5.972 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.127 10.350 4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.695 8.739 5.155 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.463 9.089 6.857 1.00 0.00 H new ATOM 517 N LEU A 35 -14.047 7.774 4.358 1.00 0.00 N ATOM 518 CA LEU A 35 -14.111 6.413 3.836 1.00 0.00 C ATOM 519 C LEU A 35 -13.043 5.533 4.477 1.00 0.00 C ATOM 520 O LEU A 35 -13.264 4.346 4.716 1.00 0.00 O ATOM 521 CB LEU A 35 -13.939 6.420 2.316 1.00 0.00 C ATOM 522 CG LEU A 35 -14.917 7.297 1.533 1.00 0.00 C ATOM 523 CD1 LEU A 35 -14.759 7.069 0.038 1.00 0.00 C ATOM 524 CD2 LEU A 35 -16.348 7.019 1.969 1.00 0.00 C ATOM 0 H LEU A 35 -13.994 8.498 3.642 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.090 6.001 4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.925 6.748 2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -14.032 5.396 1.955 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.690 8.342 1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.463 7.701 -0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.742 7.319 -0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.959 6.023 -0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.031 7.652 1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.587 5.971 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.453 7.234 3.032 1.00 0.00 H new ATOM 536 N VAL A 36 -11.885 6.124 4.754 1.00 0.00 N ATOM 537 CA VAL A 36 -10.783 5.394 5.370 1.00 0.00 C ATOM 538 C VAL A 36 -11.130 4.975 6.794 1.00 0.00 C ATOM 539 O VAL A 36 -10.899 3.832 7.188 1.00 0.00 O ATOM 540 CB VAL A 36 -9.495 6.239 5.394 1.00 0.00 C ATOM 541 CG1 VAL A 36 -8.332 5.423 5.937 1.00 0.00 C ATOM 542 CG2 VAL A 36 -9.181 6.771 4.004 1.00 0.00 C ATOM 0 H VAL A 36 -11.686 7.106 4.562 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.614 4.504 4.764 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.651 7.090 6.057 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.431 6.036 5.947 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.559 5.096 6.952 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.171 4.551 5.302 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.268 7.366 4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.044 5.936 3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -10.006 7.393 3.658 1.00 0.00 H new ATOM 552 N GLN A 37 -11.686 5.908 7.561 1.00 0.00 N ATOM 553 CA GLN A 37 -12.064 5.635 8.942 1.00 0.00 C ATOM 554 C GLN A 37 -13.236 4.660 9.003 1.00 0.00 C ATOM 555 O GLN A 37 -13.657 4.247 10.083 1.00 0.00 O ATOM 556 CB GLN A 37 -12.429 6.935 9.660 1.00 0.00 C ATOM 557 CG GLN A 37 -11.252 7.595 10.359 1.00 0.00 C ATOM 558 CD GLN A 37 -11.597 8.960 10.921 1.00 0.00 C ATOM 559 OE1 GLN A 37 -11.688 9.955 10.047 1.00 0.00 O flip ATOM 560 NE2 GLN A 37 -11.780 9.118 12.129 1.00 0.00 N flip ATOM 0 H GLN A 37 -11.884 6.859 7.249 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.210 5.180 9.443 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.850 7.634 8.937 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.208 6.728 10.394 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.906 6.950 11.167 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.426 7.694 9.655 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.700 8.325 12.765 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.012 10.042 12.493 1.00 0.00 H new ATOM 569 N ALA A 38 -13.759 4.298 7.836 1.00 0.00 N ATOM 570 CA ALA A 38 -14.882 3.371 7.756 1.00 0.00 C ATOM 571 C ALA A 38 -14.398 1.926 7.715 1.00 0.00 C ATOM 572 O ALA A 38 -14.966 1.051 8.369 1.00 0.00 O ATOM 573 CB ALA A 38 -15.735 3.680 6.535 1.00 0.00 C ATOM 0 H ALA A 38 -13.423 4.632 6.933 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.491 3.497 8.651 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.570 2.980 6.488 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.118 4.698 6.607 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.129 3.583 5.634 1.00 0.00 H new ATOM 579 N PHE A 39 -13.346 1.681 6.941 1.00 0.00 N ATOM 580 CA PHE A 39 -12.787 0.340 6.812 1.00 0.00 C ATOM 581 C PHE A 39 -11.615 0.145 7.770 1.00 0.00 C ATOM 582 O PHE A 39 -11.107 -0.965 7.931 1.00 0.00 O ATOM 583 CB PHE A 39 -12.330 0.091 5.373 1.00 0.00 C ATOM 584 CG PHE A 39 -11.029 0.759 5.033 1.00 0.00 C ATOM 585 CD1 PHE A 39 -9.833 0.270 5.532 1.00 0.00 C ATOM 586 CD2 PHE A 39 -11.003 1.876 4.213 1.00 0.00 C ATOM 587 CE1 PHE A 39 -8.634 0.884 5.220 1.00 0.00 C ATOM 588 CE2 PHE A 39 -9.807 2.494 3.898 1.00 0.00 C ATOM 589 CZ PHE A 39 -8.621 1.996 4.402 1.00 0.00 C ATOM 0 H PHE A 39 -12.863 2.393 6.394 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.567 -0.378 7.068 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.231 -0.983 5.212 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.101 0.446 4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.837 -0.600 6.172 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -11.927 2.268 3.816 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.708 0.494 5.616 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.800 3.365 3.259 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.685 2.476 4.156 1.00 0.00 H new ATOM 599 N THR A 40 -11.191 1.233 8.406 1.00 0.00 N ATOM 600 CA THR A 40 -10.079 1.184 9.346 1.00 0.00 C ATOM 601 C THR A 40 -10.571 1.282 10.786 1.00 0.00 C ATOM 602 O THR A 40 -9.842 0.963 11.725 1.00 0.00 O ATOM 603 CB THR A 40 -9.069 2.317 9.083 1.00 0.00 C ATOM 604 OG1 THR A 40 -9.679 3.586 9.344 1.00 0.00 O ATOM 605 CG2 THR A 40 -8.570 2.274 7.647 1.00 0.00 C ATOM 0 H THR A 40 -11.602 2.159 8.287 1.00 0.00 H new ATOM 0 HA THR A 40 -9.584 0.224 9.198 1.00 0.00 H new ATOM 0 HB THR A 40 -8.218 2.179 9.750 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.517 3.656 8.841 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.858 3.083 7.485 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.081 1.318 7.460 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.413 2.390 6.965 1.00 0.00 H new ATOM 613 N HIS A 41 -11.814 1.724 10.952 1.00 0.00 N ATOM 614 CA HIS A 41 -12.405 1.863 12.279 1.00 0.00 C ATOM 615 C HIS A 41 -11.378 2.386 13.279 1.00 0.00 C ATOM 616 O HIS A 41 -11.314 1.922 14.417 1.00 0.00 O ATOM 617 CB HIS A 41 -12.961 0.521 12.755 1.00 0.00 C ATOM 618 CG HIS A 41 -13.787 -0.185 11.725 1.00 0.00 C ATOM 619 ND1 HIS A 41 -15.160 -0.074 11.655 1.00 0.00 N ATOM 620 CD2 HIS A 41 -13.426 -1.014 10.717 1.00 0.00 C ATOM 621 CE1 HIS A 41 -15.608 -0.806 10.650 1.00 0.00 C ATOM 622 NE2 HIS A 41 -14.576 -1.386 10.065 1.00 0.00 N ATOM 0 H HIS A 41 -12.431 1.992 10.185 1.00 0.00 H new ATOM 0 HA HIS A 41 -13.221 2.583 12.213 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -12.132 -0.123 13.047 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -13.568 0.684 13.646 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.421 -1.325 10.472 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -16.642 -0.912 10.357 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -14.625 -2.009 9.259 1.00 0.00 H new ATOM 631 N ALA A 42 -10.576 3.353 12.845 1.00 0.00 N ATOM 632 CA ALA A 42 -9.553 3.939 13.703 1.00 0.00 C ATOM 633 C ALA A 42 -9.225 5.364 13.270 1.00 0.00 C ATOM 634 O ALA A 42 -9.368 5.733 12.104 1.00 0.00 O ATOM 635 CB ALA A 42 -8.298 3.079 13.691 1.00 0.00 C ATOM 0 H ALA A 42 -10.615 3.747 11.905 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.944 3.977 14.720 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.543 3.528 14.336 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.538 2.080 14.055 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.913 3.012 12.674 1.00 0.00 H new ATOM 641 N PRO A 43 -8.774 6.185 14.229 1.00 0.00 N ATOM 642 CA PRO A 43 -8.416 7.583 13.971 1.00 0.00 C ATOM 643 C PRO A 43 -7.520 7.735 12.746 1.00 0.00 C ATOM 644 O PRO A 43 -6.296 7.660 12.848 1.00 0.00 O ATOM 645 CB PRO A 43 -7.664 7.997 15.238 1.00 0.00 C ATOM 646 CG PRO A 43 -8.194 7.100 16.303 1.00 0.00 C ATOM 647 CD PRO A 43 -8.578 5.813 15.641 1.00 0.00 C ATOM 0 HA PRO A 43 -9.292 8.196 13.760 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.588 7.875 15.117 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.841 9.045 15.479 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.441 6.928 17.072 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.055 7.552 16.795 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.798 5.059 15.751 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.487 5.397 16.074 1.00 0.00 H new ATOM 655 N ALA A 44 -8.138 7.950 11.590 1.00 0.00 N ATOM 656 CA ALA A 44 -7.396 8.115 10.346 1.00 0.00 C ATOM 657 C ALA A 44 -7.583 9.517 9.777 1.00 0.00 C ATOM 658 O ALA A 44 -8.689 10.060 9.785 1.00 0.00 O ATOM 659 CB ALA A 44 -7.829 7.068 9.330 1.00 0.00 C ATOM 0 H ALA A 44 -9.151 8.014 11.489 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.337 7.978 10.563 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.267 7.203 8.406 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.637 6.072 9.729 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.894 7.178 9.126 1.00 0.00 H new ATOM 665 N THR A 45 -6.496 10.101 9.283 1.00 0.00 N ATOM 666 CA THR A 45 -6.540 11.440 8.711 1.00 0.00 C ATOM 667 C THR A 45 -5.972 11.454 7.296 1.00 0.00 C ATOM 668 O THR A 45 -4.755 11.461 7.105 1.00 0.00 O ATOM 669 CB THR A 45 -5.757 12.446 9.576 1.00 0.00 C ATOM 670 OG1 THR A 45 -6.396 12.601 10.848 1.00 0.00 O ATOM 671 CG2 THR A 45 -5.663 13.797 8.883 1.00 0.00 C ATOM 0 H THR A 45 -5.573 9.667 9.268 1.00 0.00 H new ATOM 0 HA THR A 45 -7.589 11.736 8.681 1.00 0.00 H new ATOM 0 HB THR A 45 -4.749 12.058 9.721 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.891 13.241 11.392 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.106 14.491 9.513 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.150 13.681 7.928 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.666 14.188 8.711 1.00 0.00 H new ATOM 679 N LEU A 46 -6.860 11.457 6.308 1.00 0.00 N ATOM 680 CA LEU A 46 -6.447 11.471 4.909 1.00 0.00 C ATOM 681 C LEU A 46 -6.696 12.838 4.281 1.00 0.00 C ATOM 682 O LEU A 46 -7.712 13.478 4.548 1.00 0.00 O ATOM 683 CB LEU A 46 -7.196 10.392 4.125 1.00 0.00 C ATOM 684 CG LEU A 46 -6.511 9.886 2.855 1.00 0.00 C ATOM 685 CD1 LEU A 46 -6.800 8.408 2.645 1.00 0.00 C ATOM 686 CD2 LEU A 46 -6.959 10.696 1.648 1.00 0.00 C ATOM 0 H LEU A 46 -7.870 11.450 6.450 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.378 11.264 4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.364 9.542 4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.176 10.783 3.853 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.435 10.011 2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.304 8.066 1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.428 7.840 3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.875 8.257 2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.461 10.322 0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.038 10.604 1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.699 11.744 1.796 1.00 0.00 H new ATOM 698 N GLU A 47 -5.762 13.278 3.443 1.00 0.00 N ATOM 699 CA GLU A 47 -5.882 14.569 2.776 1.00 0.00 C ATOM 700 C GLU A 47 -5.609 14.436 1.280 1.00 0.00 C ATOM 701 O GLU A 47 -4.458 14.445 0.845 1.00 0.00 O ATOM 702 CB GLU A 47 -4.913 15.580 3.394 1.00 0.00 C ATOM 703 CG GLU A 47 -5.199 15.881 4.856 1.00 0.00 C ATOM 704 CD GLU A 47 -6.228 16.980 5.034 1.00 0.00 C ATOM 705 OE1 GLU A 47 -7.104 17.122 4.155 1.00 0.00 O ATOM 706 OE2 GLU A 47 -6.158 17.699 6.053 1.00 0.00 O ATOM 0 H GLU A 47 -4.915 12.760 3.210 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.903 14.925 2.912 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.896 15.199 3.302 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.958 16.509 2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.552 14.974 5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.273 16.172 5.351 1.00 0.00 H new ATOM 713 N ALA A 48 -6.677 14.313 0.499 1.00 0.00 N ATOM 714 CA ALA A 48 -6.554 14.179 -0.947 1.00 0.00 C ATOM 715 C ALA A 48 -5.908 15.417 -1.560 1.00 0.00 C ATOM 716 O ALA A 48 -6.585 16.407 -1.842 1.00 0.00 O ATOM 717 CB ALA A 48 -7.919 13.929 -1.572 1.00 0.00 C ATOM 0 H ALA A 48 -7.637 14.303 0.843 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.910 13.325 -1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.812 13.831 -2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.343 13.011 -1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.581 14.766 -1.347 1.00 0.00 H new ATOM 723 N ASP A 49 -4.597 15.356 -1.763 1.00 0.00 N ATOM 724 CA ASP A 49 -3.860 16.472 -2.343 1.00 0.00 C ATOM 725 C ASP A 49 -2.403 16.092 -2.589 1.00 0.00 C ATOM 726 O ASP A 49 -1.815 15.321 -1.830 1.00 0.00 O ATOM 727 CB ASP A 49 -3.933 17.692 -1.423 1.00 0.00 C ATOM 728 CG ASP A 49 -5.132 18.571 -1.720 1.00 0.00 C ATOM 729 OD1 ASP A 49 -5.236 19.065 -2.862 1.00 0.00 O ATOM 730 OD2 ASP A 49 -5.965 18.765 -0.811 1.00 0.00 O ATOM 0 H ASP A 49 -4.022 14.545 -1.534 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.319 16.720 -3.300 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.978 17.359 -0.386 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.021 18.279 -1.530 1.00 0.00 H new ATOM 735 N ARG A 50 -1.827 16.637 -3.656 1.00 0.00 N ATOM 736 CA ARG A 50 -0.440 16.353 -4.004 1.00 0.00 C ATOM 737 C ARG A 50 0.500 16.768 -2.875 1.00 0.00 C ATOM 738 O ARG A 50 0.849 17.940 -2.745 1.00 0.00 O ATOM 739 CB ARG A 50 -0.057 17.079 -5.294 1.00 0.00 C ATOM 740 CG ARG A 50 -0.489 16.349 -6.555 1.00 0.00 C ATOM 741 CD ARG A 50 0.189 16.921 -7.790 1.00 0.00 C ATOM 742 NE ARG A 50 -0.498 18.108 -8.292 1.00 0.00 N ATOM 743 CZ ARG A 50 -1.636 18.065 -8.975 1.00 0.00 C ATOM 744 NH1 ARG A 50 -2.213 16.899 -9.235 1.00 0.00 N ATOM 745 NH2 ARG A 50 -2.201 19.188 -9.398 1.00 0.00 N ATOM 0 H ARG A 50 -2.299 17.277 -4.294 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.343 15.278 -4.158 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.505 18.073 -5.288 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.024 17.217 -5.316 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.248 15.290 -6.464 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.571 16.421 -6.666 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.222 17.174 -7.552 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.219 16.162 -8.572 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.081 19.020 -8.108 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.783 16.033 -8.910 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.087 16.868 -9.760 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.761 20.087 -9.199 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.075 19.153 -9.923 1.00 0.00 H new ATOM 759 N GLY A 51 0.904 15.798 -2.061 1.00 0.00 N ATOM 760 CA GLY A 51 1.799 16.083 -0.955 1.00 0.00 C ATOM 761 C GLY A 51 1.105 15.988 0.390 1.00 0.00 C ATOM 762 O GLY A 51 1.740 16.126 1.435 1.00 0.00 O ATOM 0 H GLY A 51 0.628 14.820 -2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.636 15.385 -0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.215 17.083 -1.076 1.00 0.00 H new ATOM 766 N GLY A 52 -0.203 15.754 0.364 1.00 0.00 N ATOM 767 CA GLY A 52 -0.962 15.648 1.597 1.00 0.00 C ATOM 768 C GLY A 52 -0.465 14.527 2.489 1.00 0.00 C ATOM 769 O GLY A 52 0.465 13.805 2.131 1.00 0.00 O ATOM 0 H GLY A 52 -0.751 15.636 -0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.903 16.592 2.138 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.013 15.481 1.360 1.00 0.00 H new ATOM 773 N LYS A 53 -1.085 14.382 3.655 1.00 0.00 N ATOM 774 CA LYS A 53 -0.701 13.342 4.602 1.00 0.00 C ATOM 775 C LYS A 53 -1.881 12.426 4.912 1.00 0.00 C ATOM 776 O LYS A 53 -2.985 12.893 5.195 1.00 0.00 O ATOM 777 CB LYS A 53 -0.176 13.970 5.895 1.00 0.00 C ATOM 778 CG LYS A 53 1.323 14.216 5.886 1.00 0.00 C ATOM 779 CD LYS A 53 1.727 15.153 4.760 1.00 0.00 C ATOM 780 CE LYS A 53 3.078 15.798 5.030 1.00 0.00 C ATOM 781 NZ LYS A 53 3.032 16.708 6.207 1.00 0.00 N ATOM 0 H LYS A 53 -1.856 14.972 3.967 1.00 0.00 H new ATOM 0 HA LYS A 53 0.090 12.745 4.148 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.690 14.916 6.065 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.424 13.318 6.733 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.629 14.641 6.842 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.848 13.267 5.777 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.768 14.600 3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.970 15.928 4.641 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.824 15.021 5.200 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.396 16.358 4.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.792 17.414 6.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.112 17.192 6.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.160 16.155 7.078 1.00 0.00 H new ATOM 795 N PHE A 54 -1.640 11.120 4.858 1.00 0.00 N ATOM 796 CA PHE A 54 -2.683 10.139 5.133 1.00 0.00 C ATOM 797 C PHE A 54 -2.292 9.245 6.307 1.00 0.00 C ATOM 798 O PHE A 54 -1.301 8.515 6.243 1.00 0.00 O ATOM 799 CB PHE A 54 -2.948 9.284 3.893 1.00 0.00 C ATOM 800 CG PHE A 54 -1.928 8.203 3.680 1.00 0.00 C ATOM 801 CD1 PHE A 54 -2.059 6.974 4.306 1.00 0.00 C ATOM 802 CD2 PHE A 54 -0.836 8.416 2.853 1.00 0.00 C ATOM 803 CE1 PHE A 54 -1.122 5.977 4.112 1.00 0.00 C ATOM 804 CE2 PHE A 54 0.104 7.422 2.655 1.00 0.00 C ATOM 805 CZ PHE A 54 -0.038 6.202 3.286 1.00 0.00 C ATOM 0 H PHE A 54 -0.732 10.717 4.626 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.594 10.677 5.396 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.935 8.829 3.980 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.970 9.929 3.015 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.904 6.793 4.954 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.718 9.369 2.358 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.237 5.023 4.605 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.949 7.600 2.007 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.697 5.425 3.134 1.00 0.00 H new ATOM 815 N HIS A 55 -3.077 9.307 7.378 1.00 0.00 N ATOM 816 CA HIS A 55 -2.813 8.504 8.566 1.00 0.00 C ATOM 817 C HIS A 55 -3.967 7.543 8.839 1.00 0.00 C ATOM 818 O HIS A 55 -5.135 7.915 8.731 1.00 0.00 O ATOM 819 CB HIS A 55 -2.589 9.408 9.779 1.00 0.00 C ATOM 820 CG HIS A 55 -1.541 8.898 10.720 1.00 0.00 C ATOM 821 ND1 HIS A 55 -1.020 7.624 10.648 1.00 0.00 N ATOM 822 CD2 HIS A 55 -0.916 9.500 11.759 1.00 0.00 C ATOM 823 CE1 HIS A 55 -0.121 7.463 11.602 1.00 0.00 C ATOM 824 NE2 HIS A 55 -0.038 8.588 12.290 1.00 0.00 N ATOM 0 H HIS A 55 -3.901 9.905 7.447 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.911 7.919 8.387 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.303 10.402 9.434 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.529 9.517 10.320 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -1.287 6.916 9.964 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.078 10.510 12.106 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.449 6.565 11.788 1.00 0.00 H new ATOM 833 N MET A 56 -3.630 6.307 9.192 1.00 0.00 N ATOM 834 CA MET A 56 -4.638 5.293 9.480 1.00 0.00 C ATOM 835 C MET A 56 -4.154 4.339 10.567 1.00 0.00 C ATOM 836 O MET A 56 -3.024 4.447 11.044 1.00 0.00 O ATOM 837 CB MET A 56 -4.981 4.509 8.212 1.00 0.00 C ATOM 838 CG MET A 56 -3.843 4.453 7.206 1.00 0.00 C ATOM 839 SD MET A 56 -3.833 2.923 6.253 1.00 0.00 S ATOM 840 CE MET A 56 -5.472 2.963 5.530 1.00 0.00 C ATOM 0 H MET A 56 -2.667 5.983 9.286 1.00 0.00 H new ATOM 0 HA MET A 56 -5.534 5.799 9.838 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.262 3.492 8.488 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.852 4.963 7.739 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.923 5.300 6.525 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.893 4.555 7.731 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.423 2.614 4.498 1.00 0.00 H new ATOM 0 HE2 MET A 56 -6.137 2.316 6.101 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.854 3.984 5.550 1.00 0.00 H new ATOM 850 N VAL A 57 -5.016 3.404 10.955 1.00 0.00 N ATOM 851 CA VAL A 57 -4.676 2.430 11.985 1.00 0.00 C ATOM 852 C VAL A 57 -4.385 3.116 13.315 1.00 0.00 C ATOM 853 O VAL A 57 -3.388 2.819 13.974 1.00 0.00 O ATOM 854 CB VAL A 57 -3.454 1.586 11.577 1.00 0.00 C ATOM 855 CG1 VAL A 57 -3.302 0.386 12.499 1.00 0.00 C ATOM 856 CG2 VAL A 57 -3.573 1.143 10.127 1.00 0.00 C ATOM 0 H VAL A 57 -5.955 3.301 10.571 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.539 1.775 12.099 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.560 2.203 11.672 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.434 -0.198 12.195 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.167 0.730 13.525 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.196 -0.235 12.439 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.701 0.548 9.856 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.475 0.543 10.003 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.629 2.020 9.482 1.00 0.00 H new ATOM 866 N ASP A 58 -5.262 4.034 13.705 1.00 0.00 N ATOM 867 CA ASP A 58 -5.101 4.762 14.959 1.00 0.00 C ATOM 868 C ASP A 58 -3.813 5.580 14.950 1.00 0.00 C ATOM 869 O ASP A 58 -3.252 5.885 16.002 1.00 0.00 O ATOM 870 CB ASP A 58 -5.095 3.791 16.140 1.00 0.00 C ATOM 871 CG ASP A 58 -5.648 4.415 17.406 1.00 0.00 C ATOM 872 OD1 ASP A 58 -5.043 5.390 17.900 1.00 0.00 O ATOM 873 OD2 ASP A 58 -6.686 3.930 17.902 1.00 0.00 O ATOM 0 H ASP A 58 -6.092 4.292 13.171 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.944 5.445 15.065 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.684 2.910 15.885 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.076 3.451 16.322 1.00 0.00 H new ATOM 878 N GLY A 59 -3.350 5.933 13.755 1.00 0.00 N ATOM 879 CA GLY A 59 -2.131 6.711 13.632 1.00 0.00 C ATOM 880 C GLY A 59 -0.888 5.845 13.627 1.00 0.00 C ATOM 881 O GLY A 59 0.192 6.295 14.007 1.00 0.00 O ATOM 0 H GLY A 59 -3.797 5.694 12.870 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.167 7.294 12.712 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.072 7.421 14.457 1.00 0.00 H new ATOM 885 N ASN A 60 -1.040 4.596 13.197 1.00 0.00 N ATOM 886 CA ASN A 60 0.080 3.663 13.147 1.00 0.00 C ATOM 887 C ASN A 60 0.688 3.617 11.749 1.00 0.00 C ATOM 888 O ASN A 60 1.826 3.183 11.568 1.00 0.00 O ATOM 889 CB ASN A 60 -0.376 2.264 13.564 1.00 0.00 C ATOM 890 CG ASN A 60 -0.240 2.032 15.057 1.00 0.00 C ATOM 891 OD1 ASN A 60 0.855 1.780 15.560 1.00 0.00 O ATOM 892 ND2 ASN A 60 -1.356 2.116 15.772 1.00 0.00 N ATOM 0 H ASN A 60 -1.927 4.207 12.878 1.00 0.00 H new ATOM 0 HA ASN A 60 0.842 4.012 13.844 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.416 2.121 13.270 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.212 1.519 13.028 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.328 1.969 16.781 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.242 2.327 15.312 1.00 0.00 H new ATOM 899 N VAL A 61 -0.079 4.068 10.761 1.00 0.00 N ATOM 900 CA VAL A 61 0.383 4.080 9.378 1.00 0.00 C ATOM 901 C VAL A 61 0.178 5.450 8.742 1.00 0.00 C ATOM 902 O VAL A 61 -0.953 5.910 8.584 1.00 0.00 O ATOM 903 CB VAL A 61 -0.347 3.020 8.533 1.00 0.00 C ATOM 904 CG1 VAL A 61 0.073 3.117 7.074 1.00 0.00 C ATOM 905 CG2 VAL A 61 -0.079 1.626 9.081 1.00 0.00 C ATOM 0 H VAL A 61 -1.023 4.430 10.893 1.00 0.00 H new ATOM 0 HA VAL A 61 1.448 3.847 9.398 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.419 3.210 8.591 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.453 2.360 6.493 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.174 4.107 6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.148 2.954 6.993 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.602 0.889 8.472 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.992 1.424 9.054 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.434 1.565 10.110 1.00 0.00 H new ATOM 915 N SER A 62 1.280 6.099 8.379 1.00 0.00 N ATOM 916 CA SER A 62 1.222 7.419 7.762 1.00 0.00 C ATOM 917 C SER A 62 1.920 7.416 6.406 1.00 0.00 C ATOM 918 O SER A 62 2.466 6.400 5.978 1.00 0.00 O ATOM 919 CB SER A 62 1.866 8.462 8.678 1.00 0.00 C ATOM 920 OG SER A 62 3.273 8.301 8.724 1.00 0.00 O ATOM 0 H SER A 62 2.224 5.732 8.502 1.00 0.00 H new ATOM 0 HA SER A 62 0.174 7.677 7.611 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.623 9.463 8.322 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.453 8.372 9.683 1.00 0.00 H new ATOM 0 HG SER A 62 3.661 8.980 9.314 1.00 0.00 H new ATOM 926 N GLY A 63 1.899 8.564 5.733 1.00 0.00 N ATOM 927 CA GLY A 63 2.532 8.673 4.433 1.00 0.00 C ATOM 928 C GLY A 63 2.346 10.043 3.810 1.00 0.00 C ATOM 929 O GLY A 63 1.995 11.001 4.498 1.00 0.00 O ATOM 0 H GLY A 63 1.455 9.419 6.066 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.597 8.464 4.532 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.119 7.915 3.767 1.00 0.00 H new ATOM 933 N GLU A 64 2.584 10.136 2.506 1.00 0.00 N ATOM 934 CA GLU A 64 2.442 11.400 1.792 1.00 0.00 C ATOM 935 C GLU A 64 2.116 11.161 0.321 1.00 0.00 C ATOM 936 O GLU A 64 2.686 10.275 -0.317 1.00 0.00 O ATOM 937 CB GLU A 64 3.724 12.226 1.915 1.00 0.00 C ATOM 938 CG GLU A 64 4.730 11.956 0.808 1.00 0.00 C ATOM 939 CD GLU A 64 5.939 12.868 0.883 1.00 0.00 C ATOM 940 OE1 GLU A 64 6.400 13.149 2.010 1.00 0.00 O ATOM 941 OE2 GLU A 64 6.424 13.301 -0.183 1.00 0.00 O ATOM 0 H GLU A 64 2.876 9.352 1.922 1.00 0.00 H new ATOM 0 HA GLU A 64 1.617 11.952 2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.466 13.285 1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.190 12.016 2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.058 10.918 0.866 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.243 12.083 -0.159 1.00 0.00 H new ATOM 948 N PHE A 65 1.195 11.956 -0.212 1.00 0.00 N ATOM 949 CA PHE A 65 0.791 11.831 -1.607 1.00 0.00 C ATOM 950 C PHE A 65 1.811 12.492 -2.530 1.00 0.00 C ATOM 951 O PHE A 65 2.116 13.677 -2.390 1.00 0.00 O ATOM 952 CB PHE A 65 -0.588 12.459 -1.820 1.00 0.00 C ATOM 953 CG PHE A 65 -1.719 11.599 -1.333 1.00 0.00 C ATOM 954 CD1 PHE A 65 -1.555 10.772 -0.233 1.00 0.00 C ATOM 955 CD2 PHE A 65 -2.947 11.617 -1.976 1.00 0.00 C ATOM 956 CE1 PHE A 65 -2.594 9.980 0.218 1.00 0.00 C ATOM 957 CE2 PHE A 65 -3.989 10.828 -1.529 1.00 0.00 C ATOM 958 CZ PHE A 65 -3.813 10.007 -0.432 1.00 0.00 C ATOM 0 H PHE A 65 0.714 12.694 0.302 1.00 0.00 H new ATOM 0 HA PHE A 65 0.740 10.770 -1.850 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.625 13.419 -1.306 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.727 12.661 -2.882 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.604 10.746 0.278 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.091 12.255 -2.836 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.453 9.341 1.077 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.942 10.853 -2.037 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.626 9.388 -0.083 1.00 0.00 H new ATOM 968 N THR A 66 2.336 11.717 -3.474 1.00 0.00 N ATOM 969 CA THR A 66 3.322 12.226 -4.419 1.00 0.00 C ATOM 970 C THR A 66 2.693 12.488 -5.783 1.00 0.00 C ATOM 971 O THR A 66 3.019 13.472 -6.448 1.00 0.00 O ATOM 972 CB THR A 66 4.496 11.243 -4.589 1.00 0.00 C ATOM 973 OG1 THR A 66 4.004 9.950 -4.960 1.00 0.00 O ATOM 974 CG2 THR A 66 5.302 11.135 -3.303 1.00 0.00 C ATOM 0 H THR A 66 2.095 10.735 -3.604 1.00 0.00 H new ATOM 0 HA THR A 66 3.698 13.163 -4.009 1.00 0.00 H new ATOM 0 HB THR A 66 5.147 11.623 -5.377 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.025 9.969 -4.991 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.125 10.435 -3.447 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.700 12.115 -3.040 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.659 10.777 -2.499 1.00 0.00 H new ATOM 982 N ASP A 67 1.791 11.604 -6.193 1.00 0.00 N ATOM 983 CA ASP A 67 1.114 11.742 -7.477 1.00 0.00 C ATOM 984 C ASP A 67 -0.357 11.353 -7.361 1.00 0.00 C ATOM 985 O ASP A 67 -0.711 10.438 -6.616 1.00 0.00 O ATOM 986 CB ASP A 67 1.801 10.877 -8.535 1.00 0.00 C ATOM 987 CG ASP A 67 1.679 11.460 -9.929 1.00 0.00 C ATOM 988 OD1 ASP A 67 1.989 12.658 -10.100 1.00 0.00 O ATOM 989 OD2 ASP A 67 1.275 10.719 -10.849 1.00 0.00 O ATOM 0 H ASP A 67 1.511 10.784 -5.655 1.00 0.00 H new ATOM 0 HA ASP A 67 1.172 12.788 -7.780 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.855 10.767 -8.281 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.365 9.878 -8.523 1.00 0.00 H new ATOM 994 N LEU A 68 -1.209 12.054 -8.101 1.00 0.00 N ATOM 995 CA LEU A 68 -2.642 11.783 -8.081 1.00 0.00 C ATOM 996 C LEU A 68 -3.252 11.977 -9.465 1.00 0.00 C ATOM 997 O LEU A 68 -3.336 13.098 -9.967 1.00 0.00 O ATOM 998 CB LEU A 68 -3.339 12.697 -7.071 1.00 0.00 C ATOM 999 CG LEU A 68 -2.952 12.497 -5.606 1.00 0.00 C ATOM 1000 CD1 LEU A 68 -3.477 13.643 -4.754 1.00 0.00 C ATOM 1001 CD2 LEU A 68 -3.476 11.164 -5.092 1.00 0.00 C ATOM 0 H LEU A 68 -0.932 12.814 -8.722 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.787 10.745 -7.783 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.130 13.732 -7.343 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.416 12.554 -7.164 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.864 12.488 -5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.192 13.484 -3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.052 14.583 -5.107 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.564 13.685 -4.830 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.191 11.039 -4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.563 11.143 -5.176 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.051 10.353 -5.684 1.00 0.00 H new ATOM 1013 N VAL A 69 -3.680 10.877 -10.077 1.00 0.00 N ATOM 1014 CA VAL A 69 -4.286 10.925 -11.402 1.00 0.00 C ATOM 1015 C VAL A 69 -5.761 10.547 -11.345 1.00 0.00 C ATOM 1016 O VAL A 69 -6.163 9.619 -10.643 1.00 0.00 O ATOM 1017 CB VAL A 69 -3.563 9.985 -12.385 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -4.036 10.234 -13.808 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -2.056 10.159 -12.277 1.00 0.00 C ATOM 0 H VAL A 69 -3.618 9.941 -9.676 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.190 11.951 -11.757 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.807 8.956 -12.122 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.514 9.561 -14.488 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.109 10.054 -13.872 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.824 11.266 -14.086 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.561 9.487 -12.978 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.791 11.190 -12.513 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.735 9.925 -11.262 1.00 0.00 H new ATOM 1029 N PRO A 70 -6.590 11.281 -12.103 1.00 0.00 N ATOM 1030 CA PRO A 70 -8.035 11.040 -12.157 1.00 0.00 C ATOM 1031 C PRO A 70 -8.370 9.567 -12.366 1.00 0.00 C ATOM 1032 O PRO A 70 -8.113 9.008 -13.432 1.00 0.00 O ATOM 1033 CB PRO A 70 -8.487 11.867 -13.363 1.00 0.00 C ATOM 1034 CG PRO A 70 -7.474 12.953 -13.479 1.00 0.00 C ATOM 1035 CD PRO A 70 -6.180 12.402 -12.965 1.00 0.00 C ATOM 0 HA PRO A 70 -8.529 11.314 -11.225 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.522 11.260 -14.268 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.487 12.273 -13.212 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.371 13.275 -14.515 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.777 13.827 -12.902 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.538 12.066 -13.779 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.620 13.152 -12.406 1.00 0.00 H new ATOM 1043 N GLU A 71 -8.944 8.944 -11.341 1.00 0.00 N ATOM 1044 CA GLU A 71 -9.313 7.536 -11.414 1.00 0.00 C ATOM 1045 C GLU A 71 -8.363 6.771 -12.330 1.00 0.00 C ATOM 1046 O GLU A 71 -8.795 6.005 -13.192 1.00 0.00 O ATOM 1047 CB GLU A 71 -10.752 7.388 -11.914 1.00 0.00 C ATOM 1048 CG GLU A 71 -11.749 8.259 -11.168 1.00 0.00 C ATOM 1049 CD GLU A 71 -13.134 8.218 -11.784 1.00 0.00 C ATOM 1050 OE1 GLU A 71 -13.414 7.276 -12.553 1.00 0.00 O ATOM 1051 OE2 GLU A 71 -13.937 9.130 -11.495 1.00 0.00 O ATOM 0 H GLU A 71 -9.163 9.392 -10.451 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.240 7.115 -10.411 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.787 7.638 -12.974 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.054 6.345 -11.822 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.807 7.931 -10.130 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.390 9.288 -11.158 1.00 0.00 H new ATOM 1058 N LYS A 72 -7.066 6.984 -12.138 1.00 0.00 N ATOM 1059 CA LYS A 72 -6.052 6.315 -12.945 1.00 0.00 C ATOM 1060 C LYS A 72 -5.048 5.583 -12.061 1.00 0.00 C ATOM 1061 O LYS A 72 -4.873 4.370 -12.176 1.00 0.00 O ATOM 1062 CB LYS A 72 -5.324 7.330 -13.830 1.00 0.00 C ATOM 1063 CG LYS A 72 -6.046 7.630 -15.132 1.00 0.00 C ATOM 1064 CD LYS A 72 -5.067 7.926 -16.256 1.00 0.00 C ATOM 1065 CE LYS A 72 -5.556 7.366 -17.583 1.00 0.00 C ATOM 1066 NZ LYS A 72 -5.023 8.136 -18.741 1.00 0.00 N ATOM 0 H LYS A 72 -6.692 7.615 -11.430 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.553 5.583 -13.578 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.195 8.258 -13.273 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.327 6.953 -14.056 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.671 6.780 -15.407 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.710 8.483 -14.993 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.927 9.003 -16.344 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.094 7.497 -16.015 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.253 6.323 -17.670 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.646 7.384 -17.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.379 7.723 -19.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.333 9.126 -18.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.984 8.097 -18.735 1.00 0.00 H new ATOM 1080 N HIS A 73 -4.391 6.328 -11.177 1.00 0.00 N ATOM 1081 CA HIS A 73 -3.405 5.749 -10.272 1.00 0.00 C ATOM 1082 C HIS A 73 -3.056 6.725 -9.152 1.00 0.00 C ATOM 1083 O HIS A 73 -3.326 7.922 -9.253 1.00 0.00 O ATOM 1084 CB HIS A 73 -2.141 5.362 -11.039 1.00 0.00 C ATOM 1085 CG HIS A 73 -1.008 6.323 -10.850 1.00 0.00 C ATOM 1086 ND1 HIS A 73 -0.999 7.672 -10.750 1.00 0.00 N flip ATOM 1087 CD2 HIS A 73 0.308 5.923 -10.743 1.00 0.00 C flip ATOM 1088 CE1 HIS A 73 0.308 8.060 -10.585 1.00 0.00 C flip ATOM 1089 NE2 HIS A 73 1.077 6.985 -10.584 1.00 0.00 N flip ATOM 0 H HIS A 73 -4.524 7.333 -11.069 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.839 4.853 -9.828 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.822 4.370 -10.720 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.377 5.295 -12.101 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.655 4.901 -10.783 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.652 9.078 -10.474 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.091 6.977 -10.478 1.00 0.00 H new ATOM 1098 N ILE A 74 -2.456 6.205 -8.087 1.00 0.00 N ATOM 1099 CA ILE A 74 -2.070 7.031 -6.949 1.00 0.00 C ATOM 1100 C ILE A 74 -0.733 6.581 -6.371 1.00 0.00 C ATOM 1101 O ILE A 74 -0.527 5.398 -6.102 1.00 0.00 O ATOM 1102 CB ILE A 74 -3.136 6.992 -5.838 1.00 0.00 C ATOM 1103 CG1 ILE A 74 -4.502 7.394 -6.397 1.00 0.00 C ATOM 1104 CG2 ILE A 74 -2.738 7.908 -4.690 1.00 0.00 C ATOM 1105 CD1 ILE A 74 -5.651 7.089 -5.462 1.00 0.00 C ATOM 0 H ILE A 74 -2.227 5.216 -7.988 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.978 8.053 -7.318 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.206 5.973 -5.458 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.496 8.462 -6.616 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.666 6.876 -7.342 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.501 7.870 -3.913 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.783 7.581 -4.278 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.644 8.930 -5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.588 7.400 -5.923 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.683 6.018 -5.262 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.511 7.629 -4.525 1.00 0.00 H new ATOM 1117 N VAL A 75 0.174 7.534 -6.182 1.00 0.00 N ATOM 1118 CA VAL A 75 1.492 7.237 -5.633 1.00 0.00 C ATOM 1119 C VAL A 75 1.725 7.988 -4.326 1.00 0.00 C ATOM 1120 O VAL A 75 1.640 9.215 -4.280 1.00 0.00 O ATOM 1121 CB VAL A 75 2.610 7.601 -6.628 1.00 0.00 C ATOM 1122 CG1 VAL A 75 3.945 7.043 -6.160 1.00 0.00 C ATOM 1123 CG2 VAL A 75 2.269 7.094 -8.021 1.00 0.00 C ATOM 0 H VAL A 75 0.020 8.518 -6.401 1.00 0.00 H new ATOM 0 HA VAL A 75 1.521 6.164 -5.442 1.00 0.00 H new ATOM 0 HB VAL A 75 2.694 8.687 -6.672 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.722 7.310 -6.876 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.192 7.460 -5.184 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.879 5.958 -6.084 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.070 7.360 -8.711 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.156 6.010 -7.996 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.336 7.548 -8.355 1.00 0.00 H new ATOM 1133 N MET A 76 2.020 7.242 -3.266 1.00 0.00 N ATOM 1134 CA MET A 76 2.267 7.838 -1.958 1.00 0.00 C ATOM 1135 C MET A 76 3.226 6.977 -1.142 1.00 0.00 C ATOM 1136 O MET A 76 3.544 5.850 -1.523 1.00 0.00 O ATOM 1137 CB MET A 76 0.951 8.017 -1.199 1.00 0.00 C ATOM 1138 CG MET A 76 0.398 6.722 -0.627 1.00 0.00 C ATOM 1139 SD MET A 76 -1.386 6.779 -0.376 1.00 0.00 S ATOM 1140 CE MET A 76 -1.879 5.212 -1.089 1.00 0.00 C ATOM 0 H MET A 76 2.094 6.225 -3.287 1.00 0.00 H new ATOM 0 HA MET A 76 2.725 8.815 -2.111 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.103 8.727 -0.387 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.211 8.454 -1.870 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.640 5.900 -1.300 1.00 0.00 H new ATOM 0 HG3 MET A 76 0.888 6.511 0.323 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.960 5.100 -1.009 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.588 5.182 -2.139 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.390 4.399 -0.553 1.00 0.00 H new ATOM 1150 N LYS A 77 3.685 7.515 -0.017 1.00 0.00 N ATOM 1151 CA LYS A 77 4.607 6.797 0.855 1.00 0.00 C ATOM 1152 C LYS A 77 3.848 5.994 1.906 1.00 0.00 C ATOM 1153 O LYS A 77 2.725 6.340 2.273 1.00 0.00 O ATOM 1154 CB LYS A 77 5.563 7.777 1.538 1.00 0.00 C ATOM 1155 CG LYS A 77 6.671 8.280 0.629 1.00 0.00 C ATOM 1156 CD LYS A 77 7.742 9.021 1.412 1.00 0.00 C ATOM 1157 CE LYS A 77 7.427 10.505 1.519 1.00 0.00 C ATOM 1158 NZ LYS A 77 8.609 11.292 1.969 1.00 0.00 N ATOM 0 H LYS A 77 3.433 8.447 0.312 1.00 0.00 H new ATOM 0 HA LYS A 77 5.184 6.105 0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.993 8.629 1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.009 7.291 2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.121 7.438 0.102 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.250 8.941 -0.128 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.826 8.593 2.411 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.708 8.887 0.926 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.091 10.876 0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.605 10.652 2.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.314 12.264 2.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.017 10.851 2.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.322 11.312 1.212 1.00 0.00 H new ATOM 1172 N TRP A 78 4.468 4.923 2.388 1.00 0.00 N ATOM 1173 CA TRP A 78 3.851 4.072 3.399 1.00 0.00 C ATOM 1174 C TRP A 78 4.878 3.621 4.431 1.00 0.00 C ATOM 1175 O TRP A 78 6.024 3.328 4.092 1.00 0.00 O ATOM 1176 CB TRP A 78 3.200 2.854 2.742 1.00 0.00 C ATOM 1177 CG TRP A 78 2.137 2.221 3.586 1.00 0.00 C ATOM 1178 CD1 TRP A 78 0.786 2.381 3.460 1.00 0.00 C ATOM 1179 CD2 TRP A 78 2.335 1.328 4.688 1.00 0.00 C ATOM 1180 NE1 TRP A 78 0.134 1.641 4.417 1.00 0.00 N ATOM 1181 CE2 TRP A 78 1.061 0.986 5.182 1.00 0.00 C ATOM 1182 CE3 TRP A 78 3.465 0.783 5.304 1.00 0.00 C ATOM 1183 CZ2 TRP A 78 0.889 0.125 6.263 1.00 0.00 C ATOM 1184 CZ3 TRP A 78 3.293 -0.071 6.376 1.00 0.00 C ATOM 1185 CH2 TRP A 78 2.013 -0.394 6.847 1.00 0.00 C ATOM 0 H TRP A 78 5.398 4.623 2.095 1.00 0.00 H new ATOM 0 HA TRP A 78 3.083 4.654 3.909 1.00 0.00 H new ATOM 0 HB2 TRP A 78 2.766 3.153 1.788 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.969 2.113 2.524 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.302 2.998 2.718 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -0.877 1.588 4.538 1.00 0.00 H new ATOM 0 HE3 TRP A 78 4.455 1.025 4.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -0.096 -0.124 6.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.160 -0.497 6.860 1.00 0.00 H new ATOM 0 HH2 TRP A 78 1.912 -1.065 7.687 1.00 0.00 H new ATOM 1196 N ARG A 79 4.459 3.567 5.692 1.00 0.00 N ATOM 1197 CA ARG A 79 5.344 3.152 6.773 1.00 0.00 C ATOM 1198 C ARG A 79 4.562 2.947 8.067 1.00 0.00 C ATOM 1199 O ARG A 79 3.397 3.334 8.169 1.00 0.00 O ATOM 1200 CB ARG A 79 6.444 4.193 6.989 1.00 0.00 C ATOM 1201 CG ARG A 79 5.928 5.525 7.508 1.00 0.00 C ATOM 1202 CD ARG A 79 6.962 6.222 8.379 1.00 0.00 C ATOM 1203 NE ARG A 79 7.156 5.535 9.653 1.00 0.00 N ATOM 1204 CZ ARG A 79 7.648 6.123 10.738 1.00 0.00 C ATOM 1205 NH1 ARG A 79 7.993 7.402 10.703 1.00 0.00 N ATOM 1206 NH2 ARG A 79 7.795 5.430 11.860 1.00 0.00 N ATOM 0 H ARG A 79 3.513 3.805 5.989 1.00 0.00 H new ATOM 0 HA ARG A 79 5.801 2.204 6.490 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.175 3.796 7.694 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.967 4.358 6.047 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.666 6.168 6.667 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.016 5.364 8.082 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.911 6.272 7.846 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.647 7.249 8.565 1.00 0.00 H new ATOM 0 HE ARG A 79 6.900 4.550 9.713 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.881 7.937 9.842 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.371 7.851 11.537 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.530 4.445 11.890 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.173 5.882 12.693 1.00 0.00 H new ATOM 1220 N PHE A 80 5.209 2.335 9.054 1.00 0.00 N ATOM 1221 CA PHE A 80 4.574 2.077 10.341 1.00 0.00 C ATOM 1222 C PHE A 80 5.001 3.115 11.375 1.00 0.00 C ATOM 1223 O PHE A 80 5.995 3.817 11.194 1.00 0.00 O ATOM 1224 CB PHE A 80 4.926 0.673 10.835 1.00 0.00 C ATOM 1225 CG PHE A 80 3.925 -0.372 10.433 1.00 0.00 C ATOM 1226 CD1 PHE A 80 2.570 -0.169 10.641 1.00 0.00 C ATOM 1227 CD2 PHE A 80 4.338 -1.558 9.849 1.00 0.00 C ATOM 1228 CE1 PHE A 80 1.646 -1.128 10.273 1.00 0.00 C ATOM 1229 CE2 PHE A 80 3.419 -2.521 9.478 1.00 0.00 C ATOM 1230 CZ PHE A 80 2.071 -2.307 9.691 1.00 0.00 C ATOM 0 H PHE A 80 6.173 2.009 8.987 1.00 0.00 H new ATOM 0 HA PHE A 80 3.495 2.147 10.206 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.906 0.395 10.447 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.007 0.688 11.922 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.232 0.750 11.096 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.391 -1.732 9.682 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.593 -0.956 10.440 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.755 -3.441 9.022 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.351 -3.059 9.403 1.00 0.00 H new ATOM 1240 N LYS A 81 4.241 3.205 12.461 1.00 0.00 N ATOM 1241 CA LYS A 81 4.538 4.155 13.527 1.00 0.00 C ATOM 1242 C LYS A 81 5.711 3.672 14.375 1.00 0.00 C ATOM 1243 O LYS A 81 6.135 4.352 15.309 1.00 0.00 O ATOM 1244 CB LYS A 81 3.307 4.363 14.412 1.00 0.00 C ATOM 1245 CG LYS A 81 3.614 5.058 15.727 1.00 0.00 C ATOM 1246 CD LYS A 81 3.959 4.058 16.818 1.00 0.00 C ATOM 1247 CE LYS A 81 2.711 3.541 17.517 1.00 0.00 C ATOM 1248 NZ LYS A 81 2.181 4.522 18.504 1.00 0.00 N ATOM 0 H LYS A 81 3.414 2.631 12.626 1.00 0.00 H new ATOM 0 HA LYS A 81 4.811 5.105 13.067 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.571 4.950 13.864 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.852 3.395 14.620 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.446 5.749 15.589 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.754 5.652 16.035 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.508 3.221 16.386 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.618 4.528 17.548 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.943 3.322 16.775 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.941 2.604 18.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.331 4.132 18.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.904 4.712 19.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.938 5.408 18.017 1.00 0.00 H new ATOM 1262 N SER A 82 6.231 2.495 14.041 1.00 0.00 N ATOM 1263 CA SER A 82 7.354 1.920 14.773 1.00 0.00 C ATOM 1264 C SER A 82 8.591 1.828 13.886 1.00 0.00 C ATOM 1265 O SER A 82 9.706 1.644 14.374 1.00 0.00 O ATOM 1266 CB SER A 82 6.987 0.533 15.303 1.00 0.00 C ATOM 1267 OG SER A 82 6.963 -0.423 14.256 1.00 0.00 O ATOM 0 H SER A 82 5.893 1.921 13.269 1.00 0.00 H new ATOM 0 HA SER A 82 7.581 2.574 15.615 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.707 0.228 16.062 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.011 0.572 15.787 1.00 0.00 H new ATOM 0 HG SER A 82 6.728 -1.302 14.621 1.00 0.00 H new ATOM 1273 N TRP A 83 8.386 1.957 12.580 1.00 0.00 N ATOM 1274 CA TRP A 83 9.484 1.889 11.623 1.00 0.00 C ATOM 1275 C TRP A 83 10.581 2.885 11.981 1.00 0.00 C ATOM 1276 O TRP A 83 10.368 3.834 12.736 1.00 0.00 O ATOM 1277 CB TRP A 83 8.973 2.161 10.208 1.00 0.00 C ATOM 1278 CG TRP A 83 8.444 0.938 9.522 1.00 0.00 C ATOM 1279 CD1 TRP A 83 8.120 -0.254 10.105 1.00 0.00 C ATOM 1280 CD2 TRP A 83 8.179 0.787 8.123 1.00 0.00 C ATOM 1281 NE1 TRP A 83 7.670 -1.136 9.153 1.00 0.00 N ATOM 1282 CE2 TRP A 83 7.695 -0.522 7.929 1.00 0.00 C ATOM 1283 CE3 TRP A 83 8.300 1.631 7.016 1.00 0.00 C ATOM 1284 CZ2 TRP A 83 7.337 -1.004 6.673 1.00 0.00 C ATOM 1285 CZ3 TRP A 83 7.944 1.150 5.770 1.00 0.00 C ATOM 1286 CH2 TRP A 83 7.466 -0.157 5.607 1.00 0.00 C ATOM 0 H TRP A 83 7.469 2.109 12.160 1.00 0.00 H new ATOM 0 HA TRP A 83 9.905 0.884 11.662 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.185 2.913 10.252 1.00 0.00 H new ATOM 0 HB3 TRP A 83 9.783 2.582 9.612 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.205 -0.471 11.160 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.366 -2.094 9.329 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.665 2.641 7.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 6.970 -2.012 6.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 8.036 1.793 4.907 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.194 -0.502 4.620 1.00 0.00 H new ATOM 1333 N HIS A 87 12.087 6.664 7.350 1.00 0.00 N ATOM 1334 CA HIS A 87 12.088 5.492 6.482 1.00 0.00 C ATOM 1335 C HIS A 87 10.678 5.177 5.992 1.00 0.00 C ATOM 1336 O HIS A 87 9.848 4.666 6.745 1.00 0.00 O ATOM 1337 CB HIS A 87 12.666 4.285 7.220 1.00 0.00 C ATOM 1338 CG HIS A 87 13.039 3.151 6.315 1.00 0.00 C ATOM 1339 ND1 HIS A 87 14.344 2.838 6.000 1.00 0.00 N ATOM 1340 CD2 HIS A 87 12.268 2.252 5.659 1.00 0.00 C ATOM 1341 CE1 HIS A 87 14.360 1.797 5.187 1.00 0.00 C ATOM 1342 NE2 HIS A 87 13.113 1.422 4.964 1.00 0.00 N ATOM 0 HA HIS A 87 12.713 5.712 5.617 1.00 0.00 H new ATOM 0 HB2 HIS A 87 13.548 4.599 7.778 1.00 0.00 H new ATOM 0 HB3 HIS A 87 11.937 3.932 7.949 1.00 0.00 H new ATOM 0 HD2 HIS A 87 11.190 2.198 5.679 1.00 0.00 H new ATOM 0 HE1 HIS A 87 15.243 1.331 4.775 1.00 0.00 H new ATOM 0 HE2 HIS A 87 12.825 0.643 4.372 1.00 0.00 H new ATOM 1351 N PHE A 88 10.413 5.485 4.727 1.00 0.00 N ATOM 1352 CA PHE A 88 9.103 5.236 4.138 1.00 0.00 C ATOM 1353 C PHE A 88 9.223 4.357 2.896 1.00 0.00 C ATOM 1354 O PHE A 88 10.323 4.098 2.410 1.00 0.00 O ATOM 1355 CB PHE A 88 8.423 6.559 3.776 1.00 0.00 C ATOM 1356 CG PHE A 88 8.068 7.397 4.971 1.00 0.00 C ATOM 1357 CD1 PHE A 88 9.054 7.858 5.828 1.00 0.00 C ATOM 1358 CD2 PHE A 88 6.748 7.722 5.238 1.00 0.00 C ATOM 1359 CE1 PHE A 88 8.731 8.629 6.929 1.00 0.00 C ATOM 1360 CE2 PHE A 88 6.419 8.494 6.337 1.00 0.00 C ATOM 1361 CZ PHE A 88 7.411 8.947 7.184 1.00 0.00 C ATOM 0 H PHE A 88 11.088 5.908 4.090 1.00 0.00 H new ATOM 0 HA PHE A 88 8.495 4.712 4.875 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.083 7.131 3.124 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.517 6.349 3.207 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.088 7.612 5.634 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.967 7.369 4.581 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.510 8.982 7.589 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.386 8.743 6.533 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.156 9.549 8.044 1.00 0.00 H new ATOM 1371 N ALA A 89 8.082 3.901 2.389 1.00 0.00 N ATOM 1372 CA ALA A 89 8.058 3.053 1.204 1.00 0.00 C ATOM 1373 C ALA A 89 7.202 3.671 0.103 1.00 0.00 C ATOM 1374 O ALA A 89 6.080 4.114 0.350 1.00 0.00 O ATOM 1375 CB ALA A 89 7.545 1.665 1.559 1.00 0.00 C ATOM 0 H ALA A 89 7.163 4.105 2.781 1.00 0.00 H new ATOM 0 HA ALA A 89 9.078 2.966 0.829 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.532 1.042 0.665 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.200 1.215 2.305 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.535 1.742 1.962 1.00 0.00 H new ATOM 1381 N THR A 90 7.739 3.698 -1.113 1.00 0.00 N ATOM 1382 CA THR A 90 7.025 4.263 -2.251 1.00 0.00 C ATOM 1383 C THR A 90 5.991 3.283 -2.793 1.00 0.00 C ATOM 1384 O THR A 90 6.340 2.218 -3.302 1.00 0.00 O ATOM 1385 CB THR A 90 7.993 4.651 -3.385 1.00 0.00 C ATOM 1386 OG1 THR A 90 9.021 5.509 -2.879 1.00 0.00 O ATOM 1387 CG2 THR A 90 7.251 5.350 -4.514 1.00 0.00 C ATOM 0 H THR A 90 8.666 3.335 -1.335 1.00 0.00 H new ATOM 0 HA THR A 90 6.519 5.159 -1.893 1.00 0.00 H new ATOM 0 HB THR A 90 8.443 3.739 -3.778 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.633 5.750 -3.605 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.955 5.614 -5.303 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.489 4.683 -4.916 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.777 6.254 -4.133 1.00 0.00 H new ATOM 1395 N ILE A 91 4.719 3.650 -2.680 1.00 0.00 N ATOM 1396 CA ILE A 91 3.635 2.803 -3.162 1.00 0.00 C ATOM 1397 C ILE A 91 2.925 3.441 -4.351 1.00 0.00 C ATOM 1398 O ILE A 91 2.708 4.653 -4.382 1.00 0.00 O ATOM 1399 CB ILE A 91 2.604 2.524 -2.052 1.00 0.00 C ATOM 1400 CG1 ILE A 91 3.124 1.444 -1.102 1.00 0.00 C ATOM 1401 CG2 ILE A 91 1.273 2.106 -2.659 1.00 0.00 C ATOM 1402 CD1 ILE A 91 4.429 1.809 -0.429 1.00 0.00 C ATOM 0 H ILE A 91 4.414 4.528 -2.259 1.00 0.00 H new ATOM 0 HA ILE A 91 4.085 1.861 -3.474 1.00 0.00 H new ATOM 0 HB ILE A 91 2.450 3.440 -1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.372 1.251 -0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.258 0.516 -1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.555 1.912 -1.862 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.898 2.905 -3.299 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.411 1.201 -3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.738 0.998 0.230 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.195 1.973 -1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.295 2.720 0.155 1.00 0.00 H new ATOM 1414 N THR A 92 2.563 2.617 -5.329 1.00 0.00 N ATOM 1415 CA THR A 92 1.877 3.100 -6.521 1.00 0.00 C ATOM 1416 C THR A 92 0.678 2.221 -6.859 1.00 0.00 C ATOM 1417 O THR A 92 0.832 1.118 -7.384 1.00 0.00 O ATOM 1418 CB THR A 92 2.824 3.146 -7.735 1.00 0.00 C ATOM 1419 OG1 THR A 92 3.979 3.933 -7.425 1.00 0.00 O ATOM 1420 CG2 THR A 92 2.118 3.728 -8.950 1.00 0.00 C ATOM 0 H THR A 92 2.734 1.611 -5.319 1.00 0.00 H new ATOM 0 HA THR A 92 1.533 4.110 -6.300 1.00 0.00 H new ATOM 0 HB THR A 92 3.131 2.126 -7.968 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.577 3.956 -8.201 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.806 3.750 -9.795 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.256 3.110 -9.201 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.785 4.741 -8.726 1.00 0.00 H new ATOM 1428 N LEU A 93 -0.517 2.716 -6.556 1.00 0.00 N ATOM 1429 CA LEU A 93 -1.744 1.976 -6.828 1.00 0.00 C ATOM 1430 C LEU A 93 -2.283 2.308 -8.216 1.00 0.00 C ATOM 1431 O LEU A 93 -1.958 3.349 -8.788 1.00 0.00 O ATOM 1432 CB LEU A 93 -2.801 2.293 -5.769 1.00 0.00 C ATOM 1433 CG LEU A 93 -2.544 1.721 -4.374 1.00 0.00 C ATOM 1434 CD1 LEU A 93 -3.274 2.539 -3.320 1.00 0.00 C ATOM 1435 CD2 LEU A 93 -2.971 0.262 -4.308 1.00 0.00 C ATOM 0 H LEU A 93 -0.662 3.627 -6.122 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.512 0.912 -6.793 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.890 3.376 -5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.763 1.921 -6.121 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.474 1.775 -4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.080 2.118 -2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.921 3.570 -3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.345 2.517 -3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.781 -0.128 -3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.035 0.184 -4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.404 -0.316 -5.037 1.00 0.00 H new ATOM 1447 N THR A 94 -3.111 1.417 -8.752 1.00 0.00 N ATOM 1448 CA THR A 94 -3.697 1.615 -10.072 1.00 0.00 C ATOM 1449 C THR A 94 -5.101 1.026 -10.145 1.00 0.00 C ATOM 1450 O THR A 94 -5.323 -0.124 -9.766 1.00 0.00 O ATOM 1451 CB THR A 94 -2.828 0.979 -11.174 1.00 0.00 C ATOM 1452 OG1 THR A 94 -1.451 0.996 -10.782 1.00 0.00 O ATOM 1453 CG2 THR A 94 -2.996 1.721 -12.491 1.00 0.00 C ATOM 0 H THR A 94 -3.391 0.551 -8.292 1.00 0.00 H new ATOM 0 HA THR A 94 -3.749 2.691 -10.236 1.00 0.00 H new ATOM 0 HB THR A 94 -3.153 -0.052 -11.313 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.905 0.589 -11.487 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.373 1.254 -13.254 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.040 1.681 -12.801 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.695 2.761 -12.364 1.00 0.00 H new ATOM 1461 N PHE A 95 -6.047 1.822 -10.634 1.00 0.00 N ATOM 1462 CA PHE A 95 -7.431 1.379 -10.756 1.00 0.00 C ATOM 1463 C PHE A 95 -7.765 1.032 -12.204 1.00 0.00 C ATOM 1464 O PHE A 95 -7.699 1.886 -13.089 1.00 0.00 O ATOM 1465 CB PHE A 95 -8.382 2.463 -10.247 1.00 0.00 C ATOM 1466 CG PHE A 95 -8.065 2.933 -8.856 1.00 0.00 C ATOM 1467 CD1 PHE A 95 -6.943 3.708 -8.611 1.00 0.00 C ATOM 1468 CD2 PHE A 95 -8.890 2.601 -7.793 1.00 0.00 C ATOM 1469 CE1 PHE A 95 -6.649 4.141 -7.332 1.00 0.00 C ATOM 1470 CE2 PHE A 95 -8.601 3.032 -6.512 1.00 0.00 C ATOM 1471 CZ PHE A 95 -7.480 3.804 -6.282 1.00 0.00 C ATOM 0 H PHE A 95 -5.880 2.777 -10.952 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.555 0.483 -10.148 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.347 3.314 -10.927 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.402 2.080 -10.269 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.291 3.977 -9.429 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.769 1.998 -7.968 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.770 4.743 -7.154 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -9.251 2.765 -5.692 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.253 4.144 -5.282 1.00 0.00 H new ATOM 1481 N ILE A 96 -8.124 -0.226 -12.437 1.00 0.00 N ATOM 1482 CA ILE A 96 -8.469 -0.686 -13.777 1.00 0.00 C ATOM 1483 C ILE A 96 -9.963 -0.968 -13.893 1.00 0.00 C ATOM 1484 O ILE A 96 -10.635 -1.230 -12.896 1.00 0.00 O ATOM 1485 CB ILE A 96 -7.687 -1.957 -14.155 1.00 0.00 C ATOM 1486 CG1 ILE A 96 -6.189 -1.748 -13.926 1.00 0.00 C ATOM 1487 CG2 ILE A 96 -7.959 -2.336 -15.603 1.00 0.00 C ATOM 1488 CD1 ILE A 96 -5.391 -3.033 -13.931 1.00 0.00 C ATOM 0 H ILE A 96 -8.184 -0.945 -11.716 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.198 0.115 -14.465 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.022 -2.775 -13.517 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.801 -1.086 -14.700 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.043 -1.243 -12.971 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.399 -3.237 -15.855 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.025 -2.522 -15.736 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.649 -1.521 -16.257 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -4.338 -2.808 -13.763 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.753 -3.689 -13.139 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.507 -3.529 -14.895 1.00 0.00 H new ATOM 1500 N ASP A 97 -10.476 -0.914 -15.117 1.00 0.00 N ATOM 1501 CA ASP A 97 -11.891 -1.167 -15.365 1.00 0.00 C ATOM 1502 C ASP A 97 -12.097 -2.550 -15.977 1.00 0.00 C ATOM 1503 O ASP A 97 -11.421 -2.924 -16.936 1.00 0.00 O ATOM 1504 CB ASP A 97 -12.467 -0.096 -16.292 1.00 0.00 C ATOM 1505 CG ASP A 97 -13.735 -0.553 -16.988 1.00 0.00 C ATOM 1506 OD1 ASP A 97 -14.747 -0.773 -16.291 1.00 0.00 O ATOM 1507 OD2 ASP A 97 -13.713 -0.691 -18.229 1.00 0.00 O ATOM 0 H ASP A 97 -9.933 -0.697 -15.953 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.414 -1.130 -14.409 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.677 0.805 -15.715 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -11.721 0.172 -17.041 1.00 0.00 H new ATOM 1512 N LYS A 98 -13.033 -3.306 -15.414 1.00 0.00 N ATOM 1513 CA LYS A 98 -13.329 -4.648 -15.902 1.00 0.00 C ATOM 1514 C LYS A 98 -14.817 -4.802 -16.200 1.00 0.00 C ATOM 1515 O LYS A 98 -15.323 -5.917 -16.323 1.00 0.00 O ATOM 1516 CB LYS A 98 -12.892 -5.695 -14.875 1.00 0.00 C ATOM 1517 CG LYS A 98 -11.474 -5.495 -14.369 1.00 0.00 C ATOM 1518 CD LYS A 98 -10.468 -6.260 -15.213 1.00 0.00 C ATOM 1519 CE LYS A 98 -9.196 -6.555 -14.433 1.00 0.00 C ATOM 1520 NZ LYS A 98 -8.309 -7.506 -15.158 1.00 0.00 N ATOM 0 H LYS A 98 -13.600 -3.012 -14.619 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.773 -4.802 -16.827 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -13.578 -5.670 -14.028 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -12.973 -6.686 -15.322 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.228 -4.433 -14.382 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.407 -5.825 -13.332 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.913 -7.195 -15.553 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.224 -5.681 -16.104 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.658 -5.625 -14.250 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.455 -6.971 -13.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.453 -7.681 -14.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.813 -8.403 -15.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.041 -7.099 -16.077 1.00 0.00 H new ATOM 1534 N ASN A 99 -15.513 -3.676 -16.315 1.00 0.00 N ATOM 1535 CA ASN A 99 -16.944 -3.687 -16.599 1.00 0.00 C ATOM 1536 C ASN A 99 -17.732 -4.215 -15.404 1.00 0.00 C ATOM 1537 O ASN A 99 -18.567 -5.107 -15.543 1.00 0.00 O ATOM 1538 CB ASN A 99 -17.233 -4.543 -17.833 1.00 0.00 C ATOM 1539 CG ASN A 99 -18.435 -4.045 -18.613 1.00 0.00 C ATOM 1540 OD1 ASN A 99 -18.315 -3.644 -19.771 1.00 0.00 O ATOM 1541 ND2 ASN A 99 -19.602 -4.069 -17.980 1.00 0.00 N ATOM 0 H ASN A 99 -15.110 -2.744 -16.216 1.00 0.00 H new ATOM 0 HA ASN A 99 -17.258 -2.662 -16.794 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -16.358 -4.547 -18.483 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -17.405 -5.574 -17.524 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -20.446 -3.747 -18.454 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -19.655 -4.410 -17.020 1.00 0.00 H new ATOM 1548 N GLY A 100 -17.459 -3.657 -14.228 1.00 0.00 N ATOM 1549 CA GLY A 100 -18.151 -4.084 -13.026 1.00 0.00 C ATOM 1550 C GLY A 100 -17.227 -4.176 -11.828 1.00 0.00 C ATOM 1551 O GLY A 100 -17.641 -3.925 -10.697 1.00 0.00 O ATOM 0 H GLY A 100 -16.771 -2.917 -14.087 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -18.957 -3.384 -12.806 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -18.612 -5.056 -13.201 1.00 0.00 H new ATOM 1555 N GLU A 101 -15.972 -4.539 -12.076 1.00 0.00 N ATOM 1556 CA GLU A 101 -14.989 -4.666 -11.007 1.00 0.00 C ATOM 1557 C GLU A 101 -13.779 -3.776 -11.272 1.00 0.00 C ATOM 1558 O GLU A 101 -13.617 -3.238 -12.368 1.00 0.00 O ATOM 1559 CB GLU A 101 -14.543 -6.123 -10.865 1.00 0.00 C ATOM 1560 CG GLU A 101 -15.685 -7.121 -10.953 1.00 0.00 C ATOM 1561 CD GLU A 101 -15.217 -8.557 -10.820 1.00 0.00 C ATOM 1562 OE1 GLU A 101 -14.086 -8.854 -11.259 1.00 0.00 O ATOM 1563 OE2 GLU A 101 -15.981 -9.383 -10.279 1.00 0.00 O ATOM 0 H GLU A 101 -15.613 -4.750 -13.007 1.00 0.00 H new ATOM 0 HA GLU A 101 -15.458 -4.345 -10.077 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.814 -6.348 -11.643 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.036 -6.247 -9.908 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.412 -6.906 -10.170 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.198 -6.997 -11.907 1.00 0.00 H new ATOM 1570 N THR A 102 -12.930 -3.624 -10.260 1.00 0.00 N ATOM 1571 CA THR A 102 -11.735 -2.798 -10.382 1.00 0.00 C ATOM 1572 C THR A 102 -10.502 -3.536 -9.874 1.00 0.00 C ATOM 1573 O THR A 102 -10.467 -3.988 -8.730 1.00 0.00 O ATOM 1574 CB THR A 102 -11.885 -1.476 -9.606 1.00 0.00 C ATOM 1575 OG1 THR A 102 -12.923 -0.680 -10.188 1.00 0.00 O ATOM 1576 CG2 THR A 102 -10.579 -0.695 -9.609 1.00 0.00 C ATOM 0 H THR A 102 -13.048 -4.062 -9.347 1.00 0.00 H new ATOM 0 HA THR A 102 -11.611 -2.576 -11.442 1.00 0.00 H new ATOM 0 HB THR A 102 -12.146 -1.714 -8.575 1.00 0.00 H new ATOM 0 HG1 THR A 102 -13.796 -1.009 -9.887 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.710 0.235 -9.055 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.797 -1.291 -9.138 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.293 -0.468 -10.636 1.00 0.00 H new ATOM 1584 N GLU A 103 -9.493 -3.653 -10.731 1.00 0.00 N ATOM 1585 CA GLU A 103 -8.258 -4.337 -10.367 1.00 0.00 C ATOM 1586 C GLU A 103 -7.242 -3.355 -9.790 1.00 0.00 C ATOM 1587 O GLU A 103 -6.614 -2.591 -10.525 1.00 0.00 O ATOM 1588 CB GLU A 103 -7.663 -5.047 -11.585 1.00 0.00 C ATOM 1589 CG GLU A 103 -6.621 -6.094 -11.231 1.00 0.00 C ATOM 1590 CD GLU A 103 -6.005 -6.742 -12.455 1.00 0.00 C ATOM 1591 OE1 GLU A 103 -5.841 -6.042 -13.477 1.00 0.00 O ATOM 1592 OE2 GLU A 103 -5.689 -7.948 -12.393 1.00 0.00 O ATOM 0 H GLU A 103 -9.506 -3.283 -11.682 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.495 -5.078 -9.604 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.467 -5.523 -12.146 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.211 -4.305 -12.243 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.834 -5.631 -10.635 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.081 -6.863 -10.610 1.00 0.00 H new ATOM 1599 N LEU A 104 -7.085 -3.381 -8.471 1.00 0.00 N ATOM 1600 CA LEU A 104 -6.146 -2.494 -7.795 1.00 0.00 C ATOM 1601 C LEU A 104 -4.738 -3.081 -7.804 1.00 0.00 C ATOM 1602 O LEU A 104 -4.429 -3.990 -7.033 1.00 0.00 O ATOM 1603 CB LEU A 104 -6.596 -2.244 -6.354 1.00 0.00 C ATOM 1604 CG LEU A 104 -5.779 -1.223 -5.563 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -6.042 0.184 -6.075 1.00 0.00 C ATOM 1606 CD2 LEU A 104 -6.098 -1.320 -4.078 1.00 0.00 C ATOM 0 H LEU A 104 -7.596 -4.007 -7.849 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.129 -1.547 -8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.635 -1.913 -6.371 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.572 -3.193 -5.817 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.721 -1.446 -5.703 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.451 0.897 -5.500 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.763 0.247 -7.127 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.101 0.419 -5.966 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.507 -0.586 -3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.158 -1.123 -3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.857 -2.320 -3.719 1.00 0.00 H new ATOM 1618 N CYS A 105 -3.889 -2.555 -8.681 1.00 0.00 N ATOM 1619 CA CYS A 105 -2.513 -3.027 -8.790 1.00 0.00 C ATOM 1620 C CYS A 105 -1.595 -2.246 -7.855 1.00 0.00 C ATOM 1621 O CYS A 105 -1.087 -1.184 -8.212 1.00 0.00 O ATOM 1622 CB CYS A 105 -2.021 -2.898 -10.232 1.00 0.00 C ATOM 1623 SG CYS A 105 -0.459 -3.748 -10.557 1.00 0.00 S ATOM 0 H CYS A 105 -4.129 -1.802 -9.326 1.00 0.00 H new ATOM 0 HA CYS A 105 -2.491 -4.077 -8.498 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.784 -3.294 -10.902 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.904 -1.841 -10.472 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.126 -3.583 -11.803 1.00 0.00 H new ATOM 1629 N MET A 106 -1.390 -2.779 -6.655 1.00 0.00 N ATOM 1630 CA MET A 106 -0.533 -2.131 -5.668 1.00 0.00 C ATOM 1631 C MET A 106 0.931 -2.491 -5.900 1.00 0.00 C ATOM 1632 O MET A 106 1.266 -3.654 -6.122 1.00 0.00 O ATOM 1633 CB MET A 106 -0.952 -2.536 -4.253 1.00 0.00 C ATOM 1634 CG MET A 106 -0.302 -1.699 -3.164 1.00 0.00 C ATOM 1635 SD MET A 106 1.479 -1.964 -3.054 1.00 0.00 S ATOM 1636 CE MET A 106 1.630 -2.557 -1.371 1.00 0.00 C ATOM 0 H MET A 106 -1.805 -3.657 -6.342 1.00 0.00 H new ATOM 0 HA MET A 106 -0.646 -1.052 -5.778 1.00 0.00 H new ATOM 0 HB2 MET A 106 -2.035 -2.453 -4.166 1.00 0.00 H new ATOM 0 HB3 MET A 106 -0.699 -3.584 -4.094 1.00 0.00 H new ATOM 0 HG2 MET A 106 -0.497 -0.644 -3.357 1.00 0.00 H new ATOM 0 HG3 MET A 106 -0.761 -1.938 -2.205 1.00 0.00 H new ATOM 0 HE1 MET A 106 2.318 -1.916 -0.820 1.00 0.00 H new ATOM 0 HE2 MET A 106 0.652 -2.539 -0.890 1.00 0.00 H new ATOM 0 HE3 MET A 106 2.012 -3.578 -1.378 1.00 0.00 H new ATOM 1646 N GLU A 107 1.798 -1.485 -5.846 1.00 0.00 N ATOM 1647 CA GLU A 107 3.226 -1.696 -6.052 1.00 0.00 C ATOM 1648 C GLU A 107 4.046 -0.891 -5.047 1.00 0.00 C ATOM 1649 O GLU A 107 4.025 0.339 -5.056 1.00 0.00 O ATOM 1650 CB GLU A 107 3.622 -1.307 -7.478 1.00 0.00 C ATOM 1651 CG GLU A 107 3.688 -2.486 -8.434 1.00 0.00 C ATOM 1652 CD GLU A 107 4.122 -2.081 -9.830 1.00 0.00 C ATOM 1653 OE1 GLU A 107 3.734 -0.980 -10.275 1.00 0.00 O ATOM 1654 OE2 GLU A 107 4.848 -2.865 -10.476 1.00 0.00 O ATOM 0 H GLU A 107 1.537 -0.516 -5.661 1.00 0.00 H new ATOM 0 HA GLU A 107 3.436 -2.755 -5.901 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.905 -0.580 -7.860 1.00 0.00 H new ATOM 0 HB3 GLU A 107 4.594 -0.814 -7.455 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.383 -3.228 -8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.709 -2.962 -8.486 1.00 0.00 H new ATOM 1661 N GLY A 108 4.768 -1.596 -4.181 1.00 0.00 N ATOM 1662 CA GLY A 108 5.583 -0.932 -3.181 1.00 0.00 C ATOM 1663 C GLY A 108 7.059 -1.240 -3.339 1.00 0.00 C ATOM 1664 O GLY A 108 7.435 -2.375 -3.634 1.00 0.00 O ATOM 0 H GLY A 108 4.803 -2.615 -4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.430 0.145 -3.249 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.255 -1.238 -2.188 1.00 0.00 H new ATOM 1668 N ARG A 109 7.898 -0.228 -3.142 1.00 0.00 N ATOM 1669 CA ARG A 109 9.341 -0.397 -3.267 1.00 0.00 C ATOM 1670 C ARG A 109 10.075 0.387 -2.183 1.00 0.00 C ATOM 1671 O ARG A 109 10.175 1.611 -2.247 1.00 0.00 O ATOM 1672 CB ARG A 109 9.811 0.061 -4.649 1.00 0.00 C ATOM 1673 CG ARG A 109 9.197 1.377 -5.097 1.00 0.00 C ATOM 1674 CD ARG A 109 9.022 1.425 -6.607 1.00 0.00 C ATOM 1675 NE ARG A 109 10.260 1.791 -7.290 1.00 0.00 N ATOM 1676 CZ ARG A 109 10.461 1.615 -8.591 1.00 0.00 C ATOM 1677 NH1 ARG A 109 9.511 1.081 -9.346 1.00 0.00 N ATOM 1678 NH2 ARG A 109 11.615 1.974 -9.139 1.00 0.00 N ATOM 0 H ARG A 109 7.604 0.717 -2.895 1.00 0.00 H new ATOM 0 HA ARG A 109 9.570 -1.456 -3.145 1.00 0.00 H new ATOM 0 HB2 ARG A 109 10.896 0.161 -4.639 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.569 -0.711 -5.380 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.230 1.512 -4.613 1.00 0.00 H new ATOM 0 HG3 ARG A 109 9.831 2.203 -4.777 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.685 0.452 -6.964 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.243 2.144 -6.859 1.00 0.00 H new ATOM 0 HE ARG A 109 11.011 2.204 -6.738 1.00 0.00 H new ATOM 0 HH11 ARG A 109 8.623 0.804 -8.928 1.00 0.00 H new ATOM 0 HH12 ARG A 109 9.668 0.947 -10.345 1.00 0.00 H new ATOM 0 HH21 ARG A 109 12.348 2.385 -8.561 1.00 0.00 H new ATOM 0 HH22 ARG A 109 11.769 1.839 -10.138 1.00 0.00 H new ATOM 1692 N GLY A 110 10.588 -0.330 -1.187 1.00 0.00 N ATOM 1693 CA GLY A 110 11.306 0.314 -0.103 1.00 0.00 C ATOM 1694 C GLY A 110 10.942 -0.257 1.253 1.00 0.00 C ATOM 1695 O GLY A 110 11.452 0.193 2.280 1.00 0.00 O ATOM 0 H GLY A 110 10.519 -1.345 -1.112 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.378 0.203 -0.265 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.091 1.383 -0.113 1.00 0.00 H new ATOM 1699 N ILE A 111 10.059 -1.249 1.258 1.00 0.00 N ATOM 1700 CA ILE A 111 9.628 -1.882 2.499 1.00 0.00 C ATOM 1701 C ILE A 111 10.777 -2.635 3.160 1.00 0.00 C ATOM 1702 O ILE A 111 11.343 -3.572 2.596 1.00 0.00 O ATOM 1703 CB ILE A 111 8.460 -2.857 2.257 1.00 0.00 C ATOM 1704 CG1 ILE A 111 7.153 -2.085 2.070 1.00 0.00 C ATOM 1705 CG2 ILE A 111 8.341 -3.837 3.414 1.00 0.00 C ATOM 1706 CD1 ILE A 111 6.854 -1.744 0.627 1.00 0.00 C ATOM 0 H ILE A 111 9.628 -1.632 0.417 1.00 0.00 H new ATOM 0 HA ILE A 111 9.293 -1.084 3.161 1.00 0.00 H new ATOM 0 HB ILE A 111 8.660 -3.422 1.346 1.00 0.00 H new ATOM 0 HG12 ILE A 111 6.331 -2.676 2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 111 7.198 -1.164 2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 111 7.512 -4.519 3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 111 9.266 -4.406 3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 111 8.160 -3.288 4.338 1.00 0.00 H new ATOM 0 HD11 ILE A 111 5.913 -1.197 0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 111 7.657 -1.127 0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 111 6.776 -2.662 0.045 1.00 0.00 H new ATOM 1718 N PRO A 112 11.129 -2.220 4.385 1.00 0.00 N ATOM 1719 CA PRO A 112 12.212 -2.844 5.152 1.00 0.00 C ATOM 1720 C PRO A 112 12.108 -4.365 5.170 1.00 0.00 C ATOM 1721 O PRO A 112 11.102 -4.922 5.609 1.00 0.00 O ATOM 1722 CB PRO A 112 12.022 -2.278 6.561 1.00 0.00 C ATOM 1723 CG PRO A 112 11.331 -0.974 6.355 1.00 0.00 C ATOM 1724 CD PRO A 112 10.497 -1.110 5.118 1.00 0.00 C ATOM 0 HA PRO A 112 13.191 -2.631 4.721 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.426 -2.949 7.180 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.979 -2.144 7.066 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.708 -0.728 7.215 1.00 0.00 H new ATOM 0 HG3 PRO A 112 12.055 -0.167 6.245 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.457 -1.331 5.359 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.499 -0.191 4.532 1.00 0.00 H new ATOM 1732 N ALA A 113 13.153 -5.031 4.691 1.00 0.00 N ATOM 1733 CA ALA A 113 13.179 -6.488 4.655 1.00 0.00 C ATOM 1734 C ALA A 113 12.735 -7.078 5.989 1.00 0.00 C ATOM 1735 O ALA A 113 11.928 -8.007 6.047 1.00 0.00 O ATOM 1736 CB ALA A 113 14.573 -6.982 4.295 1.00 0.00 C ATOM 0 H ALA A 113 13.993 -4.585 4.322 1.00 0.00 H new ATOM 0 HA ALA A 113 12.478 -6.821 3.889 1.00 0.00 H new ATOM 0 HB1 ALA A 113 14.578 -8.072 4.272 1.00 0.00 H new ATOM 0 HB2 ALA A 113 14.854 -6.597 3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 113 15.287 -6.632 5.040 1.00 0.00 H new ATOM 1742 N PRO A 114 13.272 -6.529 7.088 1.00 0.00 N ATOM 1743 CA PRO A 114 12.945 -6.986 8.442 1.00 0.00 C ATOM 1744 C PRO A 114 11.445 -6.958 8.717 1.00 0.00 C ATOM 1745 O PRO A 114 10.924 -7.798 9.450 1.00 0.00 O ATOM 1746 CB PRO A 114 13.672 -5.982 9.341 1.00 0.00 C ATOM 1747 CG PRO A 114 14.791 -5.466 8.504 1.00 0.00 C ATOM 1748 CD PRO A 114 14.240 -5.419 7.094 1.00 0.00 C ATOM 0 HA PRO A 114 13.245 -8.021 8.606 1.00 0.00 H new ATOM 0 HB2 PRO A 114 13.007 -5.177 9.654 1.00 0.00 H new ATOM 0 HB3 PRO A 114 14.043 -6.459 10.248 1.00 0.00 H new ATOM 0 HG2 PRO A 114 15.109 -4.478 8.836 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.662 -6.118 8.565 1.00 0.00 H new ATOM 0 HD2 PRO A 114 13.762 -4.464 6.878 1.00 0.00 H new ATOM 0 HD3 PRO A 114 15.023 -5.560 6.348 1.00 0.00 H new ATOM 1756 N GLU A 115 10.758 -5.986 8.125 1.00 0.00 N ATOM 1757 CA GLU A 115 9.317 -5.850 8.307 1.00 0.00 C ATOM 1758 C GLU A 115 8.572 -6.176 7.016 1.00 0.00 C ATOM 1759 O GLU A 115 7.389 -5.868 6.876 1.00 0.00 O ATOM 1760 CB GLU A 115 8.971 -4.432 8.765 1.00 0.00 C ATOM 1761 CG GLU A 115 9.745 -3.983 9.993 1.00 0.00 C ATOM 1762 CD GLU A 115 9.072 -4.391 11.289 1.00 0.00 C ATOM 1763 OE1 GLU A 115 8.799 -5.597 11.462 1.00 0.00 O ATOM 1764 OE2 GLU A 115 8.818 -3.504 12.130 1.00 0.00 O ATOM 0 H GLU A 115 11.175 -5.282 7.516 1.00 0.00 H new ATOM 0 HA GLU A 115 9.005 -6.558 9.074 1.00 0.00 H new ATOM 0 HB2 GLU A 115 9.167 -3.737 7.948 1.00 0.00 H new ATOM 0 HB3 GLU A 115 7.904 -4.379 8.979 1.00 0.00 H new ATOM 0 HG2 GLU A 115 10.749 -4.407 9.960 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.856 -2.899 9.971 1.00 0.00 H new ATOM 1771 N GLU A 116 9.274 -6.799 6.075 1.00 0.00 N ATOM 1772 CA GLU A 116 8.680 -7.165 4.795 1.00 0.00 C ATOM 1773 C GLU A 116 7.423 -8.006 4.999 1.00 0.00 C ATOM 1774 O GLU A 116 6.384 -7.743 4.395 1.00 0.00 O ATOM 1775 CB GLU A 116 9.688 -7.936 3.941 1.00 0.00 C ATOM 1776 CG GLU A 116 9.101 -8.480 2.649 1.00 0.00 C ATOM 1777 CD GLU A 116 10.058 -9.400 1.916 1.00 0.00 C ATOM 1778 OE1 GLU A 116 11.279 -9.303 2.161 1.00 0.00 O ATOM 1779 OE2 GLU A 116 9.587 -10.217 1.097 1.00 0.00 O ATOM 0 H GLU A 116 10.255 -7.061 6.175 1.00 0.00 H new ATOM 0 HA GLU A 116 8.403 -6.247 4.277 1.00 0.00 H new ATOM 0 HB2 GLU A 116 10.525 -7.281 3.702 1.00 0.00 H new ATOM 0 HB3 GLU A 116 10.088 -8.764 4.526 1.00 0.00 H new ATOM 0 HG2 GLU A 116 8.181 -9.021 2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 116 8.832 -7.648 1.998 1.00 0.00 H new ATOM 1786 N GLU A 117 7.527 -9.017 5.856 1.00 0.00 N ATOM 1787 CA GLU A 117 6.399 -9.897 6.139 1.00 0.00 C ATOM 1788 C GLU A 117 5.310 -9.155 6.908 1.00 0.00 C ATOM 1789 O GLU A 117 4.206 -8.952 6.402 1.00 0.00 O ATOM 1790 CB GLU A 117 6.863 -11.116 6.938 1.00 0.00 C ATOM 1791 CG GLU A 117 5.721 -11.946 7.501 1.00 0.00 C ATOM 1792 CD GLU A 117 4.973 -12.713 6.428 1.00 0.00 C ATOM 1793 OE1 GLU A 117 4.533 -12.082 5.444 1.00 0.00 O ATOM 1794 OE2 GLU A 117 4.828 -13.945 6.572 1.00 0.00 O ATOM 0 H GLU A 117 8.380 -9.247 6.366 1.00 0.00 H new ATOM 0 HA GLU A 117 5.984 -10.231 5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 117 7.478 -11.747 6.297 1.00 0.00 H new ATOM 0 HB3 GLU A 117 7.497 -10.782 7.759 1.00 0.00 H new ATOM 0 HG2 GLU A 117 6.115 -12.648 8.236 1.00 0.00 H new ATOM 0 HG3 GLU A 117 5.025 -11.291 8.026 1.00 0.00 H new ATOM 1801 N ARG A 118 5.629 -8.753 8.134 1.00 0.00 N ATOM 1802 CA ARG A 118 4.678 -8.036 8.975 1.00 0.00 C ATOM 1803 C ARG A 118 3.873 -7.034 8.152 1.00 0.00 C ATOM 1804 O ARG A 118 2.659 -6.911 8.318 1.00 0.00 O ATOM 1805 CB ARG A 118 5.410 -7.311 10.106 1.00 0.00 C ATOM 1806 CG ARG A 118 4.514 -6.395 10.923 1.00 0.00 C ATOM 1807 CD ARG A 118 5.291 -5.217 11.491 1.00 0.00 C ATOM 1808 NE ARG A 118 4.492 -4.439 12.435 1.00 0.00 N ATOM 1809 CZ ARG A 118 4.286 -4.801 13.696 1.00 0.00 C ATOM 1810 NH1 ARG A 118 4.816 -5.923 14.163 1.00 0.00 N ATOM 1811 NH2 ARG A 118 3.547 -4.040 14.493 1.00 0.00 N ATOM 0 H ARG A 118 6.539 -8.912 8.567 1.00 0.00 H new ATOM 0 HA ARG A 118 3.990 -8.764 9.405 1.00 0.00 H new ATOM 0 HB2 ARG A 118 5.860 -8.050 10.769 1.00 0.00 H new ATOM 0 HB3 ARG A 118 6.225 -6.724 9.682 1.00 0.00 H new ATOM 0 HG2 ARG A 118 3.700 -6.028 10.298 1.00 0.00 H new ATOM 0 HG3 ARG A 118 4.060 -6.960 11.737 1.00 0.00 H new ATOM 0 HD2 ARG A 118 6.189 -5.582 11.990 1.00 0.00 H new ATOM 0 HD3 ARG A 118 5.619 -4.572 10.676 1.00 0.00 H new ATOM 0 HE ARG A 118 4.069 -3.570 12.108 1.00 0.00 H new ATOM 0 HH11 ARG A 118 5.384 -6.511 13.553 1.00 0.00 H new ATOM 0 HH12 ARG A 118 4.656 -6.198 15.132 1.00 0.00 H new ATOM 0 HH21 ARG A 118 3.137 -3.177 14.137 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.389 -4.318 15.461 1.00 0.00 H new ATOM 1825 N THR A 119 4.557 -6.319 7.264 1.00 0.00 N ATOM 1826 CA THR A 119 3.907 -5.328 6.417 1.00 0.00 C ATOM 1827 C THR A 119 2.782 -5.954 5.602 1.00 0.00 C ATOM 1828 O THR A 119 1.608 -5.646 5.807 1.00 0.00 O ATOM 1829 CB THR A 119 4.912 -4.663 5.457 1.00 0.00 C ATOM 1830 OG1 THR A 119 5.938 -4.001 6.205 1.00 0.00 O ATOM 1831 CG2 THR A 119 4.213 -3.662 4.550 1.00 0.00 C ATOM 0 H THR A 119 5.562 -6.408 7.113 1.00 0.00 H new ATOM 0 HA THR A 119 3.492 -4.569 7.080 1.00 0.00 H new ATOM 0 HB THR A 119 5.358 -5.441 4.837 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.585 -4.662 6.530 1.00 0.00 H new ATOM 0 HG21 THR A 119 4.943 -3.205 3.881 1.00 0.00 H new ATOM 0 HG22 THR A 119 3.452 -4.174 3.961 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.743 -2.888 5.157 1.00 0.00 H new ATOM 1839 N ARG A 120 3.147 -6.836 4.676 1.00 0.00 N ATOM 1840 CA ARG A 120 2.167 -7.505 3.830 1.00 0.00 C ATOM 1841 C ARG A 120 1.137 -8.249 4.674 1.00 0.00 C ATOM 1842 O ARG A 120 0.082 -8.643 4.178 1.00 0.00 O ATOM 1843 CB ARG A 120 2.864 -8.482 2.880 1.00 0.00 C ATOM 1844 CG ARG A 120 2.176 -8.616 1.532 1.00 0.00 C ATOM 1845 CD ARG A 120 3.084 -9.278 0.507 1.00 0.00 C ATOM 1846 NE ARG A 120 2.913 -10.728 0.481 1.00 0.00 N ATOM 1847 CZ ARG A 120 3.513 -11.554 1.331 1.00 0.00 C ATOM 1848 NH1 ARG A 120 4.318 -11.075 2.270 1.00 0.00 N ATOM 1849 NH2 ARG A 120 3.308 -12.862 1.244 1.00 0.00 N ATOM 0 H ARG A 120 4.114 -7.103 4.493 1.00 0.00 H new ATOM 0 HA ARG A 120 1.651 -6.744 3.245 1.00 0.00 H new ATOM 0 HB2 ARG A 120 3.891 -8.153 2.723 1.00 0.00 H new ATOM 0 HB3 ARG A 120 2.913 -9.463 3.353 1.00 0.00 H new ATOM 0 HG2 ARG A 120 1.264 -9.202 1.644 1.00 0.00 H new ATOM 0 HG3 ARG A 120 1.879 -7.630 1.174 1.00 0.00 H new ATOM 0 HD2 ARG A 120 2.873 -8.870 -0.482 1.00 0.00 H new ATOM 0 HD3 ARG A 120 4.123 -9.039 0.735 1.00 0.00 H new ATOM 0 HE ARG A 120 2.299 -11.128 -0.229 1.00 0.00 H new ATOM 0 HH11 ARG A 120 4.478 -10.070 2.341 1.00 0.00 H new ATOM 0 HH12 ARG A 120 4.777 -11.712 2.921 1.00 0.00 H new ATOM 0 HH21 ARG A 120 2.689 -13.234 0.524 1.00 0.00 H new ATOM 0 HH22 ARG A 120 3.769 -13.495 1.897 1.00 0.00 H new ATOM 1863 N GLN A 121 1.451 -8.437 5.952 1.00 0.00 N ATOM 1864 CA GLN A 121 0.552 -9.134 6.865 1.00 0.00 C ATOM 1865 C GLN A 121 -0.489 -8.179 7.439 1.00 0.00 C ATOM 1866 O GLN A 121 -1.608 -8.581 7.753 1.00 0.00 O ATOM 1867 CB GLN A 121 1.346 -9.783 7.999 1.00 0.00 C ATOM 1868 CG GLN A 121 2.152 -10.996 7.562 1.00 0.00 C ATOM 1869 CD GLN A 121 2.287 -12.033 8.659 1.00 0.00 C ATOM 1870 OE1 GLN A 121 2.056 -11.745 9.834 1.00 0.00 O ATOM 1871 NE2 GLN A 121 2.664 -13.249 8.281 1.00 0.00 N ATOM 0 H GLN A 121 2.320 -8.117 6.378 1.00 0.00 H new ATOM 0 HA GLN A 121 0.034 -9.911 6.302 1.00 0.00 H new ATOM 0 HB2 GLN A 121 2.022 -9.043 8.427 1.00 0.00 H new ATOM 0 HB3 GLN A 121 0.657 -10.081 8.789 1.00 0.00 H new ATOM 0 HG2 GLN A 121 1.675 -11.451 6.694 1.00 0.00 H new ATOM 0 HG3 GLN A 121 3.145 -10.674 7.248 1.00 0.00 H new ATOM 0 HE21 GLN A 121 2.845 -13.444 7.296 1.00 0.00 H new ATOM 0 HE22 GLN A 121 2.772 -13.988 8.975 1.00 0.00 H new ATOM 1880 N GLY A 122 -0.112 -6.911 7.573 1.00 0.00 N ATOM 1881 CA GLY A 122 -1.025 -5.919 8.109 1.00 0.00 C ATOM 1882 C GLY A 122 -1.326 -4.811 7.118 1.00 0.00 C ATOM 1883 O GLY A 122 -1.778 -3.732 7.502 1.00 0.00 O ATOM 0 H GLY A 122 0.809 -6.553 7.320 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -1.956 -6.406 8.399 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.597 -5.487 9.013 1.00 0.00 H new ATOM 1887 N TRP A 123 -1.074 -5.078 5.842 1.00 0.00 N ATOM 1888 CA TRP A 123 -1.319 -4.094 4.793 1.00 0.00 C ATOM 1889 C TRP A 123 -2.713 -4.267 4.201 1.00 0.00 C ATOM 1890 O TRP A 123 -3.579 -3.409 4.371 1.00 0.00 O ATOM 1891 CB TRP A 123 -0.265 -4.219 3.692 1.00 0.00 C ATOM 1892 CG TRP A 123 0.070 -2.911 3.040 1.00 0.00 C ATOM 1893 CD1 TRP A 123 1.019 -2.015 3.441 1.00 0.00 C ATOM 1894 CD2 TRP A 123 -0.544 -2.354 1.873 1.00 0.00 C ATOM 1895 NE1 TRP A 123 1.032 -0.933 2.593 1.00 0.00 N ATOM 1896 CE2 TRP A 123 0.083 -1.118 1.623 1.00 0.00 C ATOM 1897 CE3 TRP A 123 -1.561 -2.779 1.014 1.00 0.00 C ATOM 1898 CZ2 TRP A 123 -0.276 -0.305 0.551 1.00 0.00 C ATOM 1899 CZ3 TRP A 123 -1.917 -1.972 -0.049 1.00 0.00 C ATOM 1900 CH2 TRP A 123 -1.275 -0.746 -0.274 1.00 0.00 C ATOM 0 H TRP A 123 -0.700 -5.967 5.508 1.00 0.00 H new ATOM 0 HA TRP A 123 -1.253 -3.101 5.238 1.00 0.00 H new ATOM 0 HB2 TRP A 123 0.643 -4.649 4.115 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -0.623 -4.914 2.933 1.00 0.00 H new ATOM 0 HD1 TRP A 123 1.664 -2.138 4.298 1.00 0.00 H new ATOM 0 HE1 TRP A 123 1.648 -0.124 2.673 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.060 -3.722 1.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 0.217 0.640 0.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -2.703 -2.291 -0.718 1.00 0.00 H new ATOM 0 HH2 TRP A 123 -1.575 -0.138 -1.115 1.00 0.00 H new ATOM 1911 N GLN A 124 -2.923 -5.380 3.506 1.00 0.00 N ATOM 1912 CA GLN A 124 -4.213 -5.663 2.888 1.00 0.00 C ATOM 1913 C GLN A 124 -5.281 -5.914 3.948 1.00 0.00 C ATOM 1914 O GLN A 124 -6.440 -5.536 3.778 1.00 0.00 O ATOM 1915 CB GLN A 124 -4.103 -6.874 1.960 1.00 0.00 C ATOM 1916 CG GLN A 124 -3.226 -6.630 0.743 1.00 0.00 C ATOM 1917 CD GLN A 124 -2.449 -7.864 0.327 1.00 0.00 C ATOM 1918 OE1 GLN A 124 -2.444 -8.243 -0.845 1.00 0.00 O ATOM 1919 NE2 GLN A 124 -1.787 -8.499 1.287 1.00 0.00 N ATOM 0 H GLN A 124 -2.217 -6.100 3.357 1.00 0.00 H new ATOM 0 HA GLN A 124 -4.506 -4.792 2.303 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -3.703 -7.717 2.523 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.101 -7.158 1.627 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -3.849 -6.300 -0.089 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -2.528 -5.821 0.959 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -1.819 -8.150 2.245 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -1.247 -9.336 1.066 1.00 0.00 H new ATOM 1928 N ARG A 125 -4.882 -6.556 5.041 1.00 0.00 N ATOM 1929 CA ARG A 125 -5.805 -6.859 6.128 1.00 0.00 C ATOM 1930 C ARG A 125 -6.658 -5.642 6.473 1.00 0.00 C ATOM 1931 O ARG A 125 -7.766 -5.775 6.994 1.00 0.00 O ATOM 1932 CB ARG A 125 -5.035 -7.323 7.366 1.00 0.00 C ATOM 1933 CG ARG A 125 -4.745 -8.815 7.379 1.00 0.00 C ATOM 1934 CD ARG A 125 -4.677 -9.357 8.798 1.00 0.00 C ATOM 1935 NE ARG A 125 -6.003 -9.496 9.394 1.00 0.00 N ATOM 1936 CZ ARG A 125 -6.251 -10.231 10.473 1.00 0.00 C ATOM 1937 NH1 ARG A 125 -5.267 -10.889 11.071 1.00 0.00 N ATOM 1938 NH2 ARG A 125 -7.484 -10.308 10.956 1.00 0.00 N ATOM 0 H ARG A 125 -3.926 -6.876 5.197 1.00 0.00 H new ATOM 0 HA ARG A 125 -6.465 -7.661 5.797 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -4.093 -6.778 7.423 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -5.607 -7.065 8.257 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -5.521 -9.342 6.824 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.801 -9.008 6.869 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -4.178 -10.326 8.792 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -4.071 -8.691 9.412 1.00 0.00 H new ATOM 0 HE ARG A 125 -6.782 -9.002 8.958 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -4.317 -10.832 10.703 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -5.460 -11.453 11.899 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -8.243 -9.803 10.499 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -7.673 -10.873 11.784 1.00 0.00 H new ATOM 1952 N TYR A 126 -6.134 -4.457 6.180 1.00 0.00 N ATOM 1953 CA TYR A 126 -6.845 -3.216 6.461 1.00 0.00 C ATOM 1954 C TYR A 126 -7.153 -2.460 5.173 1.00 0.00 C ATOM 1955 O TYR A 126 -8.210 -1.843 5.038 1.00 0.00 O ATOM 1956 CB TYR A 126 -6.021 -2.333 7.400 1.00 0.00 C ATOM 1957 CG TYR A 126 -5.165 -3.115 8.370 1.00 0.00 C ATOM 1958 CD1 TYR A 126 -5.609 -4.317 8.906 1.00 0.00 C ATOM 1959 CD2 TYR A 126 -3.912 -2.651 8.751 1.00 0.00 C ATOM 1960 CE1 TYR A 126 -4.830 -5.034 9.794 1.00 0.00 C ATOM 1961 CE2 TYR A 126 -3.125 -3.362 9.637 1.00 0.00 C ATOM 1962 CZ TYR A 126 -3.589 -4.552 10.156 1.00 0.00 C ATOM 1963 OH TYR A 126 -2.810 -5.264 11.039 1.00 0.00 O ATOM 0 H TYR A 126 -5.219 -4.330 5.748 1.00 0.00 H new ATOM 0 HA TYR A 126 -7.788 -3.469 6.946 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -5.380 -1.683 6.805 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -6.695 -1.687 7.962 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -6.580 -4.698 8.624 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.547 -1.718 8.348 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -5.191 -5.967 10.202 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -2.153 -2.988 9.921 1.00 0.00 H new ATOM 0 HH TYR A 126 -1.966 -4.788 11.188 1.00 0.00 H new ATOM 1973 N TYR A 127 -6.221 -2.512 4.227 1.00 0.00 N ATOM 1974 CA TYR A 127 -6.390 -1.832 2.949 1.00 0.00 C ATOM 1975 C TYR A 127 -7.583 -2.398 2.184 1.00 0.00 C ATOM 1976 O TYR A 127 -8.583 -1.711 1.974 1.00 0.00 O ATOM 1977 CB TYR A 127 -5.121 -1.962 2.106 1.00 0.00 C ATOM 1978 CG TYR A 127 -4.250 -0.726 2.127 1.00 0.00 C ATOM 1979 CD1 TYR A 127 -3.909 -0.113 3.326 1.00 0.00 C ATOM 1980 CD2 TYR A 127 -3.768 -0.172 0.947 1.00 0.00 C ATOM 1981 CE1 TYR A 127 -3.115 1.017 3.350 1.00 0.00 C ATOM 1982 CE2 TYR A 127 -2.972 0.957 0.962 1.00 0.00 C ATOM 1983 CZ TYR A 127 -2.648 1.548 2.165 1.00 0.00 C ATOM 1984 OH TYR A 127 -1.856 2.673 2.184 1.00 0.00 O ATOM 0 H TYR A 127 -5.341 -3.018 4.322 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.578 -0.777 3.150 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -4.541 -2.811 2.467 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.400 -2.182 1.076 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -4.271 -0.527 4.255 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -4.020 -0.632 0.003 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -2.861 1.482 4.291 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -2.605 1.375 0.036 1.00 0.00 H new ATOM 0 HH TYR A 127 -1.282 2.655 2.978 1.00 0.00 H new ATOM 1994 N PHE A 128 -7.468 -3.655 1.769 1.00 0.00 N ATOM 1995 CA PHE A 128 -8.536 -4.315 1.026 1.00 0.00 C ATOM 1996 C PHE A 128 -9.454 -5.090 1.967 1.00 0.00 C ATOM 1997 O PHE A 128 -10.631 -4.763 2.111 1.00 0.00 O ATOM 1998 CB PHE A 128 -7.947 -5.260 -0.023 1.00 0.00 C ATOM 1999 CG PHE A 128 -6.733 -4.707 -0.714 1.00 0.00 C ATOM 2000 CD1 PHE A 128 -6.554 -3.338 -0.838 1.00 0.00 C ATOM 2001 CD2 PHE A 128 -5.773 -5.555 -1.240 1.00 0.00 C ATOM 2002 CE1 PHE A 128 -5.438 -2.826 -1.473 1.00 0.00 C ATOM 2003 CE2 PHE A 128 -4.655 -5.049 -1.876 1.00 0.00 C ATOM 2004 CZ PHE A 128 -4.488 -3.683 -1.994 1.00 0.00 C ATOM 0 H PHE A 128 -6.647 -4.237 1.934 1.00 0.00 H new ATOM 0 HA PHE A 128 -9.124 -3.547 0.524 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.684 -6.203 0.456 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.710 -5.483 -0.769 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -7.295 -2.664 -0.434 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -5.899 -6.624 -1.152 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -5.309 -1.757 -1.562 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -3.913 -5.721 -2.280 1.00 0.00 H new ATOM 0 HZ PHE A 128 -3.616 -3.286 -2.493 1.00 0.00 H new ATOM 2014 N GLU A 129 -8.905 -6.120 2.605 1.00 0.00 N ATOM 2015 CA GLU A 129 -9.675 -6.942 3.530 1.00 0.00 C ATOM 2016 C GLU A 129 -10.658 -6.090 4.327 1.00 0.00 C ATOM 2017 O GLU A 129 -11.734 -6.553 4.704 1.00 0.00 O ATOM 2018 CB GLU A 129 -8.739 -7.687 4.485 1.00 0.00 C ATOM 2019 CG GLU A 129 -7.742 -8.590 3.779 1.00 0.00 C ATOM 2020 CD GLU A 129 -8.416 -9.677 2.962 1.00 0.00 C ATOM 2021 OE1 GLU A 129 -9.504 -10.135 3.367 1.00 0.00 O ATOM 2022 OE2 GLU A 129 -7.853 -10.068 1.918 1.00 0.00 O ATOM 0 H GLU A 129 -7.931 -6.404 2.498 1.00 0.00 H new ATOM 0 HA GLU A 129 -10.241 -7.668 2.946 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -8.195 -6.960 5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -9.336 -8.287 5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -7.111 -7.988 3.125 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -7.087 -9.050 4.519 1.00 0.00 H new ATOM 2029 N GLY A 130 -10.280 -4.841 4.580 1.00 0.00 N ATOM 2030 CA GLY A 130 -11.139 -3.943 5.331 1.00 0.00 C ATOM 2031 C GLY A 130 -12.277 -3.394 4.494 1.00 0.00 C ATOM 2032 O GLY A 130 -13.436 -3.438 4.906 1.00 0.00 O ATOM 0 H GLY A 130 -9.394 -4.435 4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -11.548 -4.472 6.192 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -10.544 -3.115 5.718 1.00 0.00 H new ATOM 2036 N ILE A 131 -11.946 -2.875 3.316 1.00 0.00 N ATOM 2037 CA ILE A 131 -12.949 -2.314 2.420 1.00 0.00 C ATOM 2038 C ILE A 131 -13.825 -3.410 1.821 1.00 0.00 C ATOM 2039 O ILE A 131 -15.050 -3.372 1.935 1.00 0.00 O ATOM 2040 CB ILE A 131 -12.299 -1.512 1.278 1.00 0.00 C ATOM 2041 CG1 ILE A 131 -11.410 -0.403 1.846 1.00 0.00 C ATOM 2042 CG2 ILE A 131 -13.367 -0.926 0.367 1.00 0.00 C ATOM 2043 CD1 ILE A 131 -10.541 0.268 0.806 1.00 0.00 C ATOM 0 H ILE A 131 -10.991 -2.832 2.960 1.00 0.00 H new ATOM 0 HA ILE A 131 -13.566 -1.644 3.018 1.00 0.00 H new ATOM 0 HB ILE A 131 -11.677 -2.186 0.689 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -12.040 0.349 2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -10.773 -0.823 2.624 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -12.891 -0.362 -0.435 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -13.963 -1.732 -0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -14.013 -0.263 0.943 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -9.939 1.043 1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -9.885 -0.472 0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -11.172 0.718 0.040 1.00 0.00 H new ATOM 2055 N LYS A 132 -13.188 -4.387 1.184 1.00 0.00 N ATOM 2056 CA LYS A 132 -13.907 -5.496 0.570 1.00 0.00 C ATOM 2057 C LYS A 132 -15.116 -5.894 1.411 1.00 0.00 C ATOM 2058 O LYS A 132 -16.173 -6.225 0.876 1.00 0.00 O ATOM 2059 CB LYS A 132 -12.977 -6.698 0.393 1.00 0.00 C ATOM 2060 CG LYS A 132 -12.230 -6.701 -0.929 1.00 0.00 C ATOM 2061 CD LYS A 132 -11.189 -7.807 -0.979 1.00 0.00 C ATOM 2062 CE LYS A 132 -10.961 -8.293 -2.402 1.00 0.00 C ATOM 2063 NZ LYS A 132 -10.291 -9.623 -2.434 1.00 0.00 N ATOM 0 H LYS A 132 -12.174 -4.433 1.080 1.00 0.00 H new ATOM 0 HA LYS A 132 -14.260 -5.170 -0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -12.254 -6.710 1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -13.562 -7.614 0.472 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -12.938 -6.829 -1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -11.744 -5.736 -1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -10.250 -7.443 -0.563 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -11.512 -8.641 -0.356 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -11.917 -8.356 -2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -10.352 -7.567 -2.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -9.768 -9.727 -3.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -9.630 -9.698 -1.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -11.007 -10.374 -2.363 1.00 0.00 H new ATOM 2077 N GLN A 133 -14.952 -5.856 2.729 1.00 0.00 N ATOM 2078 CA GLN A 133 -16.030 -6.213 3.644 1.00 0.00 C ATOM 2079 C GLN A 133 -16.796 -4.972 4.092 1.00 0.00 C ATOM 2080 O GLN A 133 -18.024 -4.924 4.012 1.00 0.00 O ATOM 2081 CB GLN A 133 -15.472 -6.950 4.862 1.00 0.00 C ATOM 2082 CG GLN A 133 -14.747 -8.240 4.513 1.00 0.00 C ATOM 2083 CD GLN A 133 -14.814 -9.267 5.626 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -14.083 -9.178 6.613 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -15.695 -10.249 5.473 1.00 0.00 N ATOM 0 H GLN A 133 -14.083 -5.582 3.187 1.00 0.00 H new ATOM 0 HA GLN A 133 -16.718 -6.872 3.115 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -14.786 -6.290 5.393 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -16.290 -7.176 5.546 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -15.182 -8.663 3.607 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -13.703 -8.017 4.292 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -16.281 -10.283 4.639 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -15.786 -10.969 6.190 1.00 0.00 H new ATOM 2094 N THR A 134 -16.062 -3.969 4.564 1.00 0.00 N ATOM 2095 CA THR A 134 -16.672 -2.728 5.027 1.00 0.00 C ATOM 2096 C THR A 134 -17.593 -2.139 3.965 1.00 0.00 C ATOM 2097 O THR A 134 -18.781 -1.925 4.209 1.00 0.00 O ATOM 2098 CB THR A 134 -15.604 -1.683 5.401 1.00 0.00 C ATOM 2099 OG1 THR A 134 -14.898 -2.103 6.574 1.00 0.00 O ATOM 2100 CG2 THR A 134 -16.240 -0.323 5.646 1.00 0.00 C ATOM 0 H THR A 134 -15.045 -3.992 4.636 1.00 0.00 H new ATOM 0 HA THR A 134 -17.256 -2.974 5.914 1.00 0.00 H new ATOM 0 HB THR A 134 -14.906 -1.595 4.569 1.00 0.00 H new ATOM 0 HG1 THR A 134 -14.087 -2.586 6.312 1.00 0.00 H new ATOM 0 HG21 THR A 134 -15.466 0.398 5.909 1.00 0.00 H new ATOM 0 HG22 THR A 134 -16.752 0.007 4.742 1.00 0.00 H new ATOM 0 HG23 THR A 134 -16.958 -0.399 6.463 1.00 0.00 H new ATOM 2108 N PHE A 135 -17.039 -1.879 2.785 1.00 0.00 N ATOM 2109 CA PHE A 135 -17.811 -1.314 1.686 1.00 0.00 C ATOM 2110 C PHE A 135 -18.510 -2.413 0.891 1.00 0.00 C ATOM 2111 O PHE A 135 -19.500 -2.164 0.204 1.00 0.00 O ATOM 2112 CB PHE A 135 -16.903 -0.500 0.762 1.00 0.00 C ATOM 2113 CG PHE A 135 -16.407 0.776 1.380 1.00 0.00 C ATOM 2114 CD1 PHE A 135 -15.649 0.751 2.539 1.00 0.00 C ATOM 2115 CD2 PHE A 135 -16.700 2.001 0.803 1.00 0.00 C ATOM 2116 CE1 PHE A 135 -15.192 1.923 3.111 1.00 0.00 C ATOM 2117 CE2 PHE A 135 -16.246 3.177 1.369 1.00 0.00 C ATOM 2118 CZ PHE A 135 -15.490 3.138 2.525 1.00 0.00 C ATOM 0 H PHE A 135 -16.058 -2.051 2.566 1.00 0.00 H new ATOM 0 HA PHE A 135 -18.570 -0.656 2.109 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -16.048 -1.112 0.475 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -17.447 -0.264 -0.153 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -15.412 -0.196 3.001 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -17.291 2.037 -0.100 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -14.602 1.889 4.015 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -16.482 4.125 0.909 1.00 0.00 H new ATOM 0 HZ PHE A 135 -15.133 4.055 2.969 1.00 0.00 H new ATOM 2128 N GLY A 136 -17.986 -3.631 0.989 1.00 0.00 N ATOM 2129 CA GLY A 136 -18.571 -4.750 0.274 1.00 0.00 C ATOM 2130 C GLY A 136 -18.069 -4.853 -1.152 1.00 0.00 C ATOM 2131 O GLY A 136 -18.851 -5.063 -2.080 1.00 0.00 O ATOM 0 H GLY A 136 -17.167 -3.863 1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -18.343 -5.675 0.804 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -19.656 -4.646 0.267 1.00 0.00 H new ATOM 2135 N TYR A 137 -16.761 -4.704 -1.329 1.00 0.00 N ATOM 2136 CA TYR A 137 -16.155 -4.778 -2.654 1.00 0.00 C ATOM 2137 C TYR A 137 -15.344 -6.060 -2.811 1.00 0.00 C ATOM 2138 O TYR A 137 -14.409 -6.123 -3.609 1.00 0.00 O ATOM 2139 CB TYR A 137 -15.260 -3.562 -2.897 1.00 0.00 C ATOM 2140 CG TYR A 137 -15.987 -2.241 -2.778 1.00 0.00 C ATOM 2141 CD1 TYR A 137 -17.374 -2.182 -2.838 1.00 0.00 C ATOM 2142 CD2 TYR A 137 -15.287 -1.053 -2.606 1.00 0.00 C ATOM 2143 CE1 TYR A 137 -18.043 -0.977 -2.731 1.00 0.00 C ATOM 2144 CE2 TYR A 137 -15.948 0.155 -2.496 1.00 0.00 C ATOM 2145 CZ TYR A 137 -17.325 0.188 -2.559 1.00 0.00 C ATOM 2146 OH TYR A 137 -17.986 1.390 -2.452 1.00 0.00 O ATOM 0 H TYR A 137 -16.100 -4.531 -0.572 1.00 0.00 H new ATOM 0 HA TYR A 137 -16.957 -4.784 -3.393 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -14.436 -3.579 -2.183 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -14.821 -3.637 -3.892 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -17.939 -3.093 -2.970 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -14.208 -1.074 -2.558 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -19.121 -0.948 -2.782 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -15.389 1.069 -2.361 1.00 0.00 H new ATOM 0 HH TYR A 137 -17.334 2.112 -2.334 1.00 0.00 H new ATOM 2156 N GLY A 138 -15.710 -7.083 -2.044 1.00 0.00 N ATOM 2157 CA GLY A 138 -15.008 -8.351 -2.113 1.00 0.00 C ATOM 2158 C GLY A 138 -15.817 -9.425 -2.812 1.00 0.00 C ATOM 2159 O GLY A 138 -17.020 -9.268 -3.021 1.00 0.00 O ATOM 0 H GLY A 138 -16.480 -7.056 -1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -14.064 -8.212 -2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -14.764 -8.683 -1.104 1.00 0.00 H new ATOM 2163 N ALA A 139 -15.157 -10.519 -3.176 1.00 0.00 N ATOM 2164 CA ALA A 139 -15.823 -11.623 -3.855 1.00 0.00 C ATOM 2165 C ALA A 139 -15.573 -12.943 -3.133 1.00 0.00 C ATOM 2166 O ALA A 139 -14.701 -13.719 -3.521 1.00 0.00 O ATOM 2167 CB ALA A 139 -15.354 -11.714 -5.300 1.00 0.00 C ATOM 0 H ALA A 139 -14.161 -10.664 -3.012 1.00 0.00 H new ATOM 0 HA ALA A 139 -16.896 -11.429 -3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -15.860 -12.543 -5.795 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -15.589 -10.784 -5.818 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.277 -11.880 -5.323 1.00 0.00 H new