USER MOD reduce.3.24.130724 H: found=0, std=0, add=1065, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1052 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 9 MET CE :methyl -178:sc= -0.204 (180deg=-0.238) USER MOD Set 1.2: A 131 MET CE :methyl -122:sc=-0.000316 (180deg=-0.433) USER MOD Set 2.1: A 73 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 91 HIS :FLIP no HE2:sc= -0.297 F(o=0.62,f=1.2) USER MOD Set 2.3: A 116 THR OG1 : rot -77:sc= 1.47 USER MOD Set 3.1: A 108 GLN : amide:sc= 1.46 X(o=1.7,f=1.5) USER MOD Set 3.2: A 110 HIS : no HD1:sc= 0.198 K(o=1.7,f=-4.8!) USER MOD Set 4.1: A 82 HIS : no HE2:sc= 0.881 K(o=2.2,f=-3.3) USER MOD Set 4.2: A 88 SER OG : rot -155:sc= 1.27 USER MOD Set 5.1: A 46 HIS : no HD1:sc= -1.16 K(o=-0.28,f=-3!) USER MOD Set 5.2: A 58 CYS SG : rot -88:sc= 0.134 USER MOD Set 5.3: A 100 GLN : amide:sc= 0.753 K(o=-0.28,f=-1.7) USER MOD Single : A 3 LYS NZ :NH3+ 176:sc= 1.82 (180deg=1.8) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot -21:sc= 0.745 USER MOD Single : A 11 ASN : amide:sc= 0.876 K(o=0.88,f=-9e-05) USER MOD Single : A 14 LYS NZ :NH3+ -167:sc=-0.00744 (180deg=-0.157) USER MOD Single : A 22 ASN : amide:sc= -0.0585 K(o=-0.058,f=-1.6!) USER MOD Single : A 27 THR OG1 : rot -170:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0556 K(o=-0.056,f=-1.6!) USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= 1.03 (180deg=0.843) USER MOD Single : A 36 ASN : amide:sc= 1.51 K(o=1.5,f=-5.6!) USER MOD Single : A 40 TYR OH : rot 12:sc= 0.872 USER MOD Single : A 41 ASN : amide:sc= -1.46! C(o=-1.5!,f=-7.2!) USER MOD Single : A 44 THR OG1 : rot -44:sc= 0.107 USER MOD Single : A 54 SER OG : rot 170:sc= 0.512 USER MOD Single : A 55 GLN : amide:sc= -0.632 X(o=-0.63,f=-0.96) USER MOD Single : A 62 ASN : amide:sc= -0.0403 K(o=-0.04,f=-1.3!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 165:sc= -0.118 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0105 X(o=-0.01,f=-0.32) USER MOD Single : A 78 ASN : amide:sc= -0.0339 K(o=-0.034,f=-1.3!) USER MOD Single : A 80 HIS : no HE2:sc= -0.314 K(o=-0.31,f=-2.7!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0447 USER MOD Single : A 87 MET CE :methyl 164:sc= -0.0588 (180deg=-0.405) USER MOD Single : A 89 MET CE :methyl 161:sc= -0.071 (180deg=-0.546) USER MOD Single : A 96 THR OG1 : rot -76:sc= 1.74 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0104 USER MOD Single : A 99 CYS SG : rot 87:sc= 0.802 USER MOD Single : A 105 HIS : no HD1:sc= 0.803 K(o=0.8,f=-7.1!) USER MOD Single : A 115 HIS : no HD1:sc= 0.819 K(o=0.82,f=-5.8!) USER MOD Single : A 120 GLN : amide:sc= 0.794 K(o=0.79,f=-0.94) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 125 MET CE :methyl -136:sc= -0.101 (180deg=-0.689) USER MOD Single : A 130 THR OG1 : rot -98:sc= 1.23 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= 0.637 K(o=0.64,f=-4.7!) USER MOD Single : A 137 MET CE :methyl -120:sc= -0.427 (180deg=-0.791) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 168:sc= 0.757 (180deg=0.48) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -6.362 1.485 -11.898 1.00 0.00 N ATOM 19 CA ALA A 2 -5.742 0.957 -10.689 1.00 0.00 C ATOM 20 C ALA A 2 -4.238 1.200 -10.691 1.00 0.00 C ATOM 21 O ALA A 2 -3.653 1.526 -11.724 1.00 0.00 O ATOM 22 CB ALA A 2 -6.037 -0.529 -10.546 1.00 0.00 C ATOM 0 HA ALA A 2 -6.168 1.484 -9.835 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.567 -0.908 -9.638 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.115 -0.682 -10.487 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.641 -1.063 -11.410 1.00 0.00 H new ATOM 28 N LYS A 3 -3.616 1.040 -9.528 1.00 0.00 N ATOM 29 CA LYS A 3 -2.181 1.255 -9.390 1.00 0.00 C ATOM 30 C LYS A 3 -1.510 0.078 -8.693 1.00 0.00 C ATOM 31 O LYS A 3 -2.152 -0.664 -7.950 1.00 0.00 O ATOM 32 CB LYS A 3 -1.905 2.547 -8.619 1.00 0.00 C ATOM 33 CG LYS A 3 -2.406 3.810 -9.308 1.00 0.00 C ATOM 34 CD LYS A 3 -2.207 5.036 -8.429 1.00 0.00 C ATOM 35 CE LYS A 3 -2.930 6.249 -8.998 1.00 0.00 C ATOM 36 NZ LYS A 3 -2.114 6.953 -10.022 1.00 0.00 N ATOM 0 H LYS A 3 -4.085 0.762 -8.666 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.761 1.342 -10.392 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.370 2.475 -7.636 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.831 2.637 -8.458 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.877 3.946 -10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.463 3.700 -9.549 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.575 4.829 -7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.143 5.253 -8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.875 5.933 -9.441 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.172 6.939 -8.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.668 7.732 -10.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.255 7.336 -9.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.847 6.285 -10.773 1.00 0.00 H new ATOM 50 N LYS A 4 -0.215 -0.089 -8.939 1.00 0.00 N ATOM 51 CA LYS A 4 0.554 -1.154 -8.306 1.00 0.00 C ATOM 52 C LYS A 4 1.926 -0.657 -7.871 1.00 0.00 C ATOM 53 O LYS A 4 2.572 0.115 -8.580 1.00 0.00 O ATOM 54 CB LYS A 4 0.700 -2.345 -9.254 1.00 0.00 C ATOM 55 CG LYS A 4 1.430 -3.539 -8.654 1.00 0.00 C ATOM 56 CD LYS A 4 1.476 -4.706 -9.630 1.00 0.00 C ATOM 57 CE LYS A 4 2.209 -5.899 -9.034 1.00 0.00 C ATOM 58 NZ LYS A 4 2.249 -7.053 -9.972 1.00 0.00 N ATOM 0 H LYS A 4 0.325 0.500 -9.573 1.00 0.00 H new ATOM 0 HA LYS A 4 0.011 -1.476 -7.417 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.292 -2.664 -9.573 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.233 -2.020 -10.147 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.445 -3.249 -8.383 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.931 -3.849 -7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.461 -4.998 -9.899 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.972 -4.394 -10.549 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.227 -5.607 -8.775 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.718 -6.201 -8.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.757 -7.844 -9.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.278 -7.349 -10.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.740 -6.774 -10.845 1.00 0.00 H new ATOM 72 N GLY A 5 2.369 -1.106 -6.701 1.00 0.00 N ATOM 73 CA GLY A 5 3.659 -0.694 -6.161 1.00 0.00 C ATOM 74 C GLY A 5 4.366 -1.857 -5.477 1.00 0.00 C ATOM 75 O GLY A 5 3.842 -2.969 -5.422 1.00 0.00 O ATOM 0 H GLY A 5 1.853 -1.756 -6.108 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.285 -0.306 -6.964 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.515 0.118 -5.448 1.00 0.00 H new ATOM 79 N TYR A 6 5.560 -1.593 -4.956 1.00 0.00 N ATOM 80 CA TYR A 6 6.334 -2.613 -4.259 1.00 0.00 C ATOM 81 C TYR A 6 7.199 -1.996 -3.167 1.00 0.00 C ATOM 82 O TYR A 6 7.633 -0.850 -3.278 1.00 0.00 O ATOM 83 CB TYR A 6 7.202 -3.395 -5.246 1.00 0.00 C ATOM 84 CG TYR A 6 8.250 -2.551 -5.939 1.00 0.00 C ATOM 85 CD1 TYR A 6 9.483 -2.346 -5.337 1.00 0.00 C ATOM 86 CD2 TYR A 6 7.977 -1.983 -7.173 1.00 0.00 C ATOM 87 CE1 TYR A 6 10.440 -1.576 -5.970 1.00 0.00 C ATOM 88 CE2 TYR A 6 8.934 -1.213 -7.806 1.00 0.00 C ATOM 89 CZ TYR A 6 10.161 -1.009 -7.209 1.00 0.00 C ATOM 90 OH TYR A 6 11.114 -0.242 -7.838 1.00 0.00 O ATOM 0 H TYR A 6 6.013 -0.680 -5.004 1.00 0.00 H new ATOM 0 HA TYR A 6 5.633 -3.301 -3.787 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.697 -4.208 -4.715 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.559 -3.850 -5.999 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.695 -2.788 -4.375 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.016 -2.142 -7.640 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.401 -1.415 -5.504 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.721 -0.771 -8.768 1.00 0.00 H new ATOM 0 HH TYR A 6 11.759 0.086 -7.177 1.00 0.00 H new ATOM 100 N ILE A 7 7.449 -2.765 -2.112 1.00 0.00 N ATOM 101 CA ILE A 7 8.390 -2.361 -1.075 1.00 0.00 C ATOM 102 C ILE A 7 9.579 -3.311 -1.008 1.00 0.00 C ATOM 103 O ILE A 7 9.430 -4.481 -0.658 1.00 0.00 O ATOM 104 CB ILE A 7 7.700 -2.302 0.301 1.00 0.00 C ATOM 105 CG1 ILE A 7 6.556 -1.286 0.282 1.00 0.00 C ATOM 106 CG2 ILE A 7 8.707 -1.955 1.386 1.00 0.00 C ATOM 107 CD1 ILE A 7 5.760 -1.240 1.565 1.00 0.00 C ATOM 0 H ILE A 7 7.012 -3.673 -1.953 1.00 0.00 H new ATOM 0 HA ILE A 7 8.751 -1.366 -1.335 1.00 0.00 H new ATOM 0 HB ILE A 7 7.283 -3.284 0.522 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.965 -0.295 0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.885 -1.524 -0.543 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.203 -1.917 2.352 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.488 -2.715 1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.153 -0.984 1.171 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.968 -0.497 1.475 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.320 -2.219 1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.418 -0.971 2.392 1.00 0.00 H new ATOM 119 N LEU A 8 10.758 -2.801 -1.347 1.00 0.00 N ATOM 120 CA LEU A 8 12.002 -3.523 -1.110 1.00 0.00 C ATOM 121 C LEU A 8 12.579 -3.192 0.261 1.00 0.00 C ATOM 122 O LEU A 8 12.844 -2.031 0.569 1.00 0.00 O ATOM 123 CB LEU A 8 13.027 -3.184 -2.198 1.00 0.00 C ATOM 124 CG LEU A 8 14.409 -3.829 -2.035 1.00 0.00 C ATOM 125 CD1 LEU A 8 14.285 -5.340 -2.178 1.00 0.00 C ATOM 126 CD2 LEU A 8 15.363 -3.259 -3.074 1.00 0.00 C ATOM 0 H LEU A 8 10.878 -1.889 -1.787 1.00 0.00 H new ATOM 0 HA LEU A 8 11.780 -4.590 -1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.618 -3.484 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.153 -2.102 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 8 14.807 -3.608 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.267 -5.798 -2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.613 -5.724 -1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.886 -5.581 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.345 -3.718 -2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.981 -3.469 -4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.448 -2.181 -2.937 1.00 0.00 H new ATOM 138 N MET A 9 12.769 -4.220 1.081 1.00 0.00 N ATOM 139 CA MET A 9 13.298 -4.038 2.426 1.00 0.00 C ATOM 140 C MET A 9 14.819 -4.126 2.438 1.00 0.00 C ATOM 141 O MET A 9 15.418 -4.806 1.604 1.00 0.00 O ATOM 142 CB MET A 9 12.698 -5.075 3.374 1.00 0.00 C ATOM 143 CG MET A 9 11.178 -5.141 3.354 1.00 0.00 C ATOM 144 SD MET A 9 10.407 -3.559 3.751 1.00 0.00 S ATOM 145 CE MET A 9 10.789 -3.427 5.495 1.00 0.00 C ATOM 0 H MET A 9 12.564 -5.189 0.836 1.00 0.00 H new ATOM 0 HA MET A 9 13.018 -3.041 2.767 1.00 0.00 H new ATOM 0 HB2 MET A 9 13.095 -6.057 3.117 1.00 0.00 H new ATOM 0 HB3 MET A 9 13.026 -4.854 4.390 1.00 0.00 H new ATOM 0 HG2 MET A 9 10.845 -5.465 2.368 1.00 0.00 H new ATOM 0 HG3 MET A 9 10.842 -5.894 4.067 1.00 0.00 H new ATOM 0 HE1 MET A 9 10.347 -2.515 5.896 1.00 0.00 H new ATOM 0 HE2 MET A 9 10.382 -4.290 6.023 1.00 0.00 H new ATOM 0 HE3 MET A 9 11.870 -3.396 5.629 1.00 0.00 H new ATOM 155 N GLU A 10 15.440 -3.433 3.387 1.00 0.00 N ATOM 156 CA GLU A 10 16.890 -3.455 3.527 1.00 0.00 C ATOM 157 C GLU A 10 17.398 -4.868 3.786 1.00 0.00 C ATOM 158 O GLU A 10 18.540 -5.196 3.465 1.00 0.00 O ATOM 159 CB GLU A 10 17.332 -2.529 4.663 1.00 0.00 C ATOM 160 CG GLU A 10 17.276 -1.046 4.323 1.00 0.00 C ATOM 161 CD GLU A 10 18.367 -0.622 3.380 1.00 0.00 C ATOM 162 OE1 GLU A 10 19.219 -1.425 3.087 1.00 0.00 O ATOM 163 OE2 GLU A 10 18.348 0.508 2.952 1.00 0.00 O ATOM 0 H GLU A 10 14.960 -2.848 4.071 1.00 0.00 H new ATOM 0 HA GLU A 10 17.319 -3.102 2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.701 -2.714 5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.352 -2.786 4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.308 -0.817 3.878 1.00 0.00 H new ATOM 0 HG3 GLU A 10 17.350 -0.464 5.242 1.00 0.00 H new ATOM 170 N ASN A 11 16.542 -5.702 4.368 1.00 0.00 N ATOM 171 CA ASN A 11 16.919 -7.066 4.718 1.00 0.00 C ATOM 172 C ASN A 11 16.566 -8.039 3.602 1.00 0.00 C ATOM 173 O ASN A 11 16.548 -9.253 3.805 1.00 0.00 O ATOM 174 CB ASN A 11 16.260 -7.484 6.020 1.00 0.00 C ATOM 175 CG ASN A 11 16.854 -6.795 7.217 1.00 0.00 C ATOM 176 OD1 ASN A 11 18.002 -7.057 7.592 1.00 0.00 O ATOM 177 ND2 ASN A 11 16.095 -5.918 7.822 1.00 0.00 N ATOM 0 H ASN A 11 15.581 -5.456 4.607 1.00 0.00 H new ATOM 0 HA ASN A 11 18.000 -7.091 4.853 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.194 -7.263 5.970 1.00 0.00 H new ATOM 0 HB3 ASN A 11 16.357 -8.563 6.142 1.00 0.00 H new ATOM 0 HD21 ASN A 11 16.445 -5.418 8.639 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.153 -5.734 7.477 1.00 0.00 H new ATOM 184 N GLY A 12 16.286 -7.499 2.420 1.00 0.00 N ATOM 185 CA GLY A 12 16.130 -8.316 1.223 1.00 0.00 C ATOM 186 C GLY A 12 14.689 -8.778 1.054 1.00 0.00 C ATOM 187 O GLY A 12 14.376 -9.554 0.151 1.00 0.00 O ATOM 0 H GLY A 12 16.163 -6.498 2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.436 -7.744 0.347 1.00 0.00 H new ATOM 0 HA3 GLY A 12 16.788 -9.183 1.283 1.00 0.00 H new ATOM 191 N GLY A 13 13.812 -8.297 1.930 1.00 0.00 N ATOM 192 CA GLY A 13 12.393 -8.623 1.852 1.00 0.00 C ATOM 193 C GLY A 13 11.735 -7.936 0.662 1.00 0.00 C ATOM 194 O GLY A 13 12.169 -6.868 0.231 1.00 0.00 O ATOM 0 H GLY A 13 14.060 -7.679 2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 13 12.269 -9.703 1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.896 -8.317 2.773 1.00 0.00 H new ATOM 198 N LYS A 14 10.683 -8.554 0.136 1.00 0.00 N ATOM 199 CA LYS A 14 9.948 -7.992 -0.990 1.00 0.00 C ATOM 200 C LYS A 14 8.443 -8.082 -0.767 1.00 0.00 C ATOM 201 O LYS A 14 7.893 -9.172 -0.610 1.00 0.00 O ATOM 202 CB LYS A 14 10.331 -8.704 -2.289 1.00 0.00 C ATOM 203 CG LYS A 14 9.694 -8.115 -3.540 1.00 0.00 C ATOM 204 CD LYS A 14 10.247 -6.729 -3.841 1.00 0.00 C ATOM 205 CE LYS A 14 9.714 -6.195 -5.163 1.00 0.00 C ATOM 206 NZ LYS A 14 10.235 -6.965 -6.325 1.00 0.00 N ATOM 0 H LYS A 14 10.320 -9.446 0.473 1.00 0.00 H new ATOM 0 HA LYS A 14 10.217 -6.939 -1.071 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.415 -8.674 -2.399 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.047 -9.754 -2.211 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.877 -8.774 -4.389 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.614 -8.057 -3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.978 -6.045 -3.036 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.336 -6.769 -3.875 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.625 -6.238 -5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.992 -5.146 -5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.033 -6.447 -7.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.263 -7.091 -6.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.774 -7.897 -6.359 1.00 0.00 H new ATOM 220 N ILE A 15 7.782 -6.930 -0.754 1.00 0.00 N ATOM 221 CA ILE A 15 6.336 -6.878 -0.578 1.00 0.00 C ATOM 222 C ILE A 15 5.669 -6.121 -1.720 1.00 0.00 C ATOM 223 O ILE A 15 5.699 -4.892 -1.763 1.00 0.00 O ATOM 224 CB ILE A 15 5.968 -6.216 0.762 1.00 0.00 C ATOM 225 CG1 ILE A 15 6.591 -6.988 1.927 1.00 0.00 C ATOM 226 CG2 ILE A 15 4.457 -6.137 0.918 1.00 0.00 C ATOM 227 CD1 ILE A 15 6.474 -6.282 3.259 1.00 0.00 C ATOM 0 H ILE A 15 8.226 -6.018 -0.863 1.00 0.00 H new ATOM 0 HA ILE A 15 5.972 -7.906 -0.578 1.00 0.00 H new ATOM 0 HB ILE A 15 6.367 -5.202 0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.113 -7.965 2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.645 -7.165 1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.214 -5.666 1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.038 -5.546 0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.035 -7.142 0.892 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.938 -6.890 4.035 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.978 -5.317 3.205 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.422 -6.129 3.499 1.00 0.00 H new ATOM 239 N GLU A 16 5.068 -6.863 -2.644 1.00 0.00 N ATOM 240 CA GLU A 16 4.330 -6.263 -3.748 1.00 0.00 C ATOM 241 C GLU A 16 2.859 -6.082 -3.393 1.00 0.00 C ATOM 242 O GLU A 16 2.244 -6.960 -2.789 1.00 0.00 O ATOM 243 CB GLU A 16 4.458 -7.123 -5.007 1.00 0.00 C ATOM 244 CG GLU A 16 5.880 -7.256 -5.535 1.00 0.00 C ATOM 245 CD GLU A 16 5.963 -8.078 -6.790 1.00 0.00 C ATOM 246 OE1 GLU A 16 4.947 -8.559 -7.231 1.00 0.00 O ATOM 247 OE2 GLU A 16 7.045 -8.226 -7.309 1.00 0.00 O ATOM 0 H GLU A 16 5.078 -7.883 -2.650 1.00 0.00 H new ATOM 0 HA GLU A 16 4.761 -5.281 -3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.068 -8.118 -4.794 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.831 -6.696 -5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.284 -6.263 -5.730 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.506 -7.710 -4.767 1.00 0.00 H new ATOM 254 N PHE A 17 2.301 -4.937 -3.774 1.00 0.00 N ATOM 255 CA PHE A 17 0.956 -4.564 -3.352 1.00 0.00 C ATOM 256 C PHE A 17 0.223 -3.808 -4.454 1.00 0.00 C ATOM 257 O PHE A 17 0.846 -3.247 -5.355 1.00 0.00 O ATOM 258 CB PHE A 17 1.011 -3.706 -2.087 1.00 0.00 C ATOM 259 CG PHE A 17 1.725 -2.398 -2.273 1.00 0.00 C ATOM 260 CD1 PHE A 17 1.034 -1.266 -2.681 1.00 0.00 C ATOM 261 CD2 PHE A 17 3.088 -2.295 -2.042 1.00 0.00 C ATOM 262 CE1 PHE A 17 1.689 -0.061 -2.853 1.00 0.00 C ATOM 263 CE2 PHE A 17 3.747 -1.092 -2.213 1.00 0.00 C ATOM 264 CZ PHE A 17 3.046 0.025 -2.618 1.00 0.00 C ATOM 0 H PHE A 17 2.760 -4.252 -4.374 1.00 0.00 H new ATOM 0 HA PHE A 17 0.409 -5.482 -3.140 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.006 -3.509 -1.748 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.506 -4.271 -1.297 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.028 -1.327 -2.866 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.642 -3.166 -1.724 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.139 0.812 -3.171 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.809 -1.027 -2.030 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.559 0.966 -2.751 1.00 0.00 H new ATOM 274 N GLU A 18 -1.103 -3.797 -4.374 1.00 0.00 N ATOM 275 CA GLU A 18 -1.922 -3.073 -5.339 1.00 0.00 C ATOM 276 C GLU A 18 -2.738 -1.981 -4.660 1.00 0.00 C ATOM 277 O GLU A 18 -3.313 -2.196 -3.592 1.00 0.00 O ATOM 278 CB GLU A 18 -2.855 -4.036 -6.077 1.00 0.00 C ATOM 279 CG GLU A 18 -3.748 -3.373 -7.116 1.00 0.00 C ATOM 280 CD GLU A 18 -4.607 -4.356 -7.862 1.00 0.00 C ATOM 281 OE1 GLU A 18 -4.562 -5.519 -7.539 1.00 0.00 O ATOM 282 OE2 GLU A 18 -5.309 -3.943 -8.755 1.00 0.00 O ATOM 0 H GLU A 18 -1.634 -4.282 -3.650 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.251 -2.603 -6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.253 -4.801 -6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.484 -4.545 -5.347 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.387 -2.640 -6.624 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.127 -2.828 -7.827 1.00 0.00 H new ATOM 289 N LEU A 19 -2.785 -0.808 -5.283 1.00 0.00 N ATOM 290 CA LEU A 19 -3.539 0.317 -4.745 1.00 0.00 C ATOM 291 C LEU A 19 -4.837 0.528 -5.514 1.00 0.00 C ATOM 292 O LEU A 19 -4.891 0.325 -6.727 1.00 0.00 O ATOM 293 CB LEU A 19 -2.694 1.595 -4.796 1.00 0.00 C ATOM 294 CG LEU A 19 -1.375 1.552 -4.014 1.00 0.00 C ATOM 295 CD1 LEU A 19 -0.658 2.888 -4.153 1.00 0.00 C ATOM 296 CD2 LEU A 19 -1.659 1.232 -2.555 1.00 0.00 C ATOM 0 H LEU A 19 -2.308 -0.612 -6.163 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.786 0.088 -3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.470 1.819 -5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.294 2.421 -4.415 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.729 0.772 -4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.279 2.857 -3.597 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.450 3.081 -5.205 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.289 3.683 -3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.721 1.202 -2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.306 2.001 -2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.154 0.263 -2.485 1.00 0.00 H new ATOM 308 N PHE A 20 -5.882 0.936 -4.801 1.00 0.00 N ATOM 309 CA PHE A 20 -7.211 1.052 -5.387 1.00 0.00 C ATOM 310 C PHE A 20 -7.758 2.466 -5.238 1.00 0.00 C ATOM 311 O PHE A 20 -8.337 2.811 -4.208 1.00 0.00 O ATOM 312 CB PHE A 20 -8.173 0.056 -4.735 1.00 0.00 C ATOM 313 CG PHE A 20 -7.724 -1.374 -4.836 1.00 0.00 C ATOM 314 CD1 PHE A 20 -8.042 -2.139 -5.948 1.00 0.00 C ATOM 315 CD2 PHE A 20 -6.983 -1.957 -3.819 1.00 0.00 C ATOM 316 CE1 PHE A 20 -7.631 -3.454 -6.042 1.00 0.00 C ATOM 317 CE2 PHE A 20 -6.570 -3.273 -3.911 1.00 0.00 C ATOM 318 CZ PHE A 20 -6.894 -4.022 -5.023 1.00 0.00 C ATOM 0 H PHE A 20 -5.833 1.192 -3.815 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.124 0.825 -6.450 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.293 0.316 -3.683 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.153 0.153 -5.201 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.618 -1.701 -6.750 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.726 -1.376 -2.945 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.887 -4.038 -6.914 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.993 -3.715 -3.112 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.572 -5.050 -5.096 1.00 0.00 H new ATOM 328 N PRO A 21 -7.571 3.279 -6.272 1.00 0.00 N ATOM 329 CA PRO A 21 -8.056 4.654 -6.262 1.00 0.00 C ATOM 330 C PRO A 21 -9.545 4.710 -5.946 1.00 0.00 C ATOM 331 O PRO A 21 -10.030 5.680 -5.363 1.00 0.00 O ATOM 332 CB PRO A 21 -7.764 5.133 -7.687 1.00 0.00 C ATOM 333 CG PRO A 21 -6.581 4.328 -8.107 1.00 0.00 C ATOM 334 CD PRO A 21 -6.823 2.968 -7.509 1.00 0.00 C ATOM 0 HA PRO A 21 -7.582 5.273 -5.500 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.615 4.964 -8.346 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.548 6.201 -7.712 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.501 4.276 -9.193 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.652 4.764 -7.739 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.398 2.329 -8.179 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.889 2.448 -7.296 1.00 0.00 H new ATOM 342 N ASN A 22 -10.268 3.663 -6.334 1.00 0.00 N ATOM 343 CA ASN A 22 -11.700 3.583 -6.074 1.00 0.00 C ATOM 344 C ASN A 22 -11.991 3.589 -4.579 1.00 0.00 C ATOM 345 O ASN A 22 -12.980 4.168 -4.131 1.00 0.00 O ATOM 346 CB ASN A 22 -12.292 2.348 -6.729 1.00 0.00 C ATOM 347 CG ASN A 22 -12.395 2.478 -8.222 1.00 0.00 C ATOM 348 OD1 ASN A 22 -12.389 3.591 -8.762 1.00 0.00 O ATOM 349 ND2 ASN A 22 -12.489 1.364 -8.902 1.00 0.00 N ATOM 0 H ASN A 22 -9.884 2.858 -6.830 1.00 0.00 H new ATOM 0 HA ASN A 22 -12.169 4.465 -6.509 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.677 1.482 -6.485 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -13.283 2.162 -6.315 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.561 1.392 -9.919 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.490 0.468 -8.415 1.00 0.00 H new ATOM 356 N GLU A 23 -11.122 2.941 -3.810 1.00 0.00 N ATOM 357 CA GLU A 23 -11.281 2.874 -2.362 1.00 0.00 C ATOM 358 C GLU A 23 -11.001 4.224 -1.714 1.00 0.00 C ATOM 359 O GLU A 23 -11.732 4.660 -0.824 1.00 0.00 O ATOM 360 CB GLU A 23 -10.351 1.812 -1.771 1.00 0.00 C ATOM 361 CG GLU A 23 -10.752 0.379 -2.091 1.00 0.00 C ATOM 362 CD GLU A 23 -9.769 -0.634 -1.571 1.00 0.00 C ATOM 363 OE1 GLU A 23 -8.754 -0.235 -1.053 1.00 0.00 O ATOM 364 OE2 GLU A 23 -10.035 -1.807 -1.690 1.00 0.00 O ATOM 0 H GLU A 23 -10.299 2.454 -4.166 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.315 2.600 -2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.340 1.985 -2.140 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.320 1.935 -0.688 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.734 0.178 -1.663 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.846 0.266 -3.171 1.00 0.00 H new ATOM 371 N ALA A 24 -9.939 4.882 -2.166 1.00 0.00 N ATOM 372 CA ALA A 24 -9.578 6.198 -1.651 1.00 0.00 C ATOM 373 C ALA A 24 -8.693 6.951 -2.637 1.00 0.00 C ATOM 374 O ALA A 24 -7.471 6.802 -2.628 1.00 0.00 O ATOM 375 CB ALA A 24 -8.878 6.067 -0.306 1.00 0.00 C ATOM 0 H ALA A 24 -9.313 4.526 -2.888 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.496 6.770 -1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.615 7.057 0.065 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.544 5.578 0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.973 5.471 -0.423 1.00 0.00 H new ATOM 381 N PRO A 25 -9.318 7.759 -3.487 1.00 0.00 N ATOM 382 CA PRO A 25 -8.593 8.501 -4.511 1.00 0.00 C ATOM 383 C PRO A 25 -7.477 9.338 -3.900 1.00 0.00 C ATOM 384 O PRO A 25 -6.343 9.324 -4.380 1.00 0.00 O ATOM 385 CB PRO A 25 -9.681 9.382 -5.133 1.00 0.00 C ATOM 386 CG PRO A 25 -10.934 8.591 -4.961 1.00 0.00 C ATOM 387 CD PRO A 25 -10.787 7.949 -3.607 1.00 0.00 C ATOM 0 HA PRO A 25 -8.098 7.859 -5.239 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.747 10.347 -4.631 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.478 9.583 -6.185 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.816 9.229 -5.005 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.043 7.843 -5.746 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.178 8.586 -2.813 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.323 7.002 -3.549 1.00 0.00 H new ATOM 395 N VAL A 26 -7.804 10.065 -2.837 1.00 0.00 N ATOM 396 CA VAL A 26 -6.867 11.007 -2.235 1.00 0.00 C ATOM 397 C VAL A 26 -5.726 10.278 -1.537 1.00 0.00 C ATOM 398 O VAL A 26 -4.557 10.619 -1.715 1.00 0.00 O ATOM 399 CB VAL A 26 -7.594 11.910 -1.221 1.00 0.00 C ATOM 400 CG1 VAL A 26 -6.596 12.783 -0.475 1.00 0.00 C ATOM 401 CG2 VAL A 26 -8.629 12.764 -1.937 1.00 0.00 C ATOM 0 H VAL A 26 -8.712 10.020 -2.374 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.451 11.619 -3.036 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.105 11.283 -0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.127 13.415 0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.887 12.150 0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.059 13.410 -1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.139 13.400 -1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.134 13.387 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.356 12.118 -2.429 1.00 0.00 H new ATOM 411 N THR A 27 -6.073 9.274 -0.739 1.00 0.00 N ATOM 412 CA THR A 27 -5.083 8.535 0.037 1.00 0.00 C ATOM 413 C THR A 27 -4.094 7.818 -0.872 1.00 0.00 C ATOM 414 O THR A 27 -2.886 7.849 -0.637 1.00 0.00 O ATOM 415 CB THR A 27 -5.762 7.515 0.971 1.00 0.00 C ATOM 416 OG1 THR A 27 -6.643 8.200 1.871 1.00 0.00 O ATOM 417 CG2 THR A 27 -4.719 6.752 1.773 1.00 0.00 C ATOM 0 H THR A 27 -7.033 8.953 -0.612 1.00 0.00 H new ATOM 0 HA THR A 27 -4.539 9.260 0.642 1.00 0.00 H new ATOM 0 HB THR A 27 -6.328 6.809 0.364 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.952 7.578 2.563 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.216 6.036 2.428 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.054 6.221 1.092 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.139 7.452 2.375 1.00 0.00 H new ATOM 425 N VAL A 28 -4.613 7.172 -1.910 1.00 0.00 N ATOM 426 CA VAL A 28 -3.773 6.484 -2.882 1.00 0.00 C ATOM 427 C VAL A 28 -2.850 7.458 -3.602 1.00 0.00 C ATOM 428 O VAL A 28 -1.658 7.200 -3.757 1.00 0.00 O ATOM 429 CB VAL A 28 -4.645 5.747 -3.916 1.00 0.00 C ATOM 430 CG1 VAL A 28 -3.792 5.245 -5.071 1.00 0.00 C ATOM 431 CG2 VAL A 28 -5.381 4.595 -3.248 1.00 0.00 C ATOM 0 H VAL A 28 -5.613 7.111 -2.100 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.162 5.763 -2.339 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.381 6.444 -4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.424 4.727 -5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.304 6.090 -5.557 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.035 4.558 -4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.995 4.079 -3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.658 3.897 -2.826 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.018 4.982 -2.453 1.00 0.00 H new ATOM 441 N ALA A 29 -3.411 8.580 -4.041 1.00 0.00 N ATOM 442 CA ALA A 29 -2.639 9.599 -4.742 1.00 0.00 C ATOM 443 C ALA A 29 -1.486 10.104 -3.884 1.00 0.00 C ATOM 444 O ALA A 29 -0.352 10.214 -4.352 1.00 0.00 O ATOM 445 CB ALA A 29 -3.537 10.756 -5.154 1.00 0.00 C ATOM 0 H ALA A 29 -4.399 8.807 -3.923 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.218 9.143 -5.638 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.945 11.508 -5.676 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.323 10.389 -5.815 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.988 11.201 -4.267 1.00 0.00 H new ATOM 451 N ASN A 30 -1.781 10.411 -2.626 1.00 0.00 N ATOM 452 CA ASN A 30 -0.778 10.937 -1.709 1.00 0.00 C ATOM 453 C ASN A 30 0.303 9.904 -1.422 1.00 0.00 C ATOM 454 O ASN A 30 1.493 10.221 -1.413 1.00 0.00 O ATOM 455 CB ASN A 30 -1.426 11.406 -0.418 1.00 0.00 C ATOM 456 CG ASN A 30 -2.204 12.680 -0.592 1.00 0.00 C ATOM 457 OD1 ASN A 30 -2.023 13.404 -1.578 1.00 0.00 O ATOM 458 ND2 ASN A 30 -3.068 12.969 0.347 1.00 0.00 N ATOM 0 H ASN A 30 -2.709 10.304 -2.217 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.304 11.793 -2.189 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.091 10.627 -0.045 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.655 11.556 0.338 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.625 13.821 0.283 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.185 12.342 1.143 1.00 0.00 H new ATOM 465 N PHE A 31 -0.117 8.665 -1.187 1.00 0.00 N ATOM 466 CA PHE A 31 0.817 7.575 -0.931 1.00 0.00 C ATOM 467 C PHE A 31 1.787 7.396 -2.091 1.00 0.00 C ATOM 468 O PHE A 31 2.998 7.304 -1.892 1.00 0.00 O ATOM 469 CB PHE A 31 0.059 6.269 -0.687 1.00 0.00 C ATOM 470 CG PHE A 31 0.944 5.116 -0.306 1.00 0.00 C ATOM 471 CD1 PHE A 31 1.266 4.881 1.021 1.00 0.00 C ATOM 472 CD2 PHE A 31 1.457 4.267 -1.276 1.00 0.00 C ATOM 473 CE1 PHE A 31 2.080 3.820 1.373 1.00 0.00 C ATOM 474 CE2 PHE A 31 2.270 3.206 -0.927 1.00 0.00 C ATOM 475 CZ PHE A 31 2.582 2.983 0.400 1.00 0.00 C ATOM 0 H PHE A 31 -1.099 8.391 -1.169 1.00 0.00 H new ATOM 0 HA PHE A 31 1.389 7.832 -0.039 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.675 6.428 0.103 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.495 6.007 -1.589 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.877 5.534 1.789 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.218 4.437 -2.315 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.323 3.647 2.411 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.661 2.551 -1.691 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.218 2.154 0.674 1.00 0.00 H new ATOM 485 N GLU A 32 1.248 7.348 -3.305 1.00 0.00 N ATOM 486 CA GLU A 32 2.069 7.232 -4.504 1.00 0.00 C ATOM 487 C GLU A 32 3.046 8.396 -4.619 1.00 0.00 C ATOM 488 O GLU A 32 4.242 8.196 -4.828 1.00 0.00 O ATOM 489 CB GLU A 32 1.185 7.170 -5.752 1.00 0.00 C ATOM 490 CG GLU A 32 1.950 7.217 -7.067 1.00 0.00 C ATOM 491 CD GLU A 32 1.063 7.034 -8.266 1.00 0.00 C ATOM 492 OE1 GLU A 32 0.143 7.799 -8.424 1.00 0.00 O ATOM 493 OE2 GLU A 32 1.306 6.126 -9.027 1.00 0.00 O ATOM 0 H GLU A 32 0.245 7.388 -3.484 1.00 0.00 H new ATOM 0 HA GLU A 32 2.643 6.309 -4.425 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.597 6.253 -5.720 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.481 8.002 -5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.467 8.173 -7.147 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.714 6.440 -7.065 1.00 0.00 H new ATOM 500 N LYS A 33 2.528 9.612 -4.480 1.00 0.00 N ATOM 501 CA LYS A 33 3.357 10.809 -4.549 1.00 0.00 C ATOM 502 C LYS A 33 4.560 10.700 -3.621 1.00 0.00 C ATOM 503 O LYS A 33 5.702 10.867 -4.047 1.00 0.00 O ATOM 504 CB LYS A 33 2.534 12.050 -4.201 1.00 0.00 C ATOM 505 CG LYS A 33 3.361 13.311 -3.982 1.00 0.00 C ATOM 506 CD LYS A 33 4.029 13.764 -5.271 1.00 0.00 C ATOM 507 CE LYS A 33 4.653 15.143 -5.117 1.00 0.00 C ATOM 508 NZ LYS A 33 5.381 15.565 -6.345 1.00 0.00 N ATOM 0 H LYS A 33 1.537 9.794 -4.319 1.00 0.00 H new ATOM 0 HA LYS A 33 3.724 10.903 -5.571 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.819 12.234 -5.003 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.957 11.847 -3.299 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.721 14.107 -3.602 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.120 13.123 -3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.797 13.045 -5.557 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.295 13.783 -6.076 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.874 15.870 -4.889 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.341 15.138 -4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.555 16.590 -6.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.289 15.061 -6.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.808 15.340 -7.183 1.00 0.00 H new ATOM 522 N LEU A 34 4.296 10.418 -2.349 1.00 0.00 N ATOM 523 CA LEU A 34 5.354 10.321 -1.351 1.00 0.00 C ATOM 524 C LEU A 34 6.375 9.256 -1.730 1.00 0.00 C ATOM 525 O LEU A 34 7.579 9.507 -1.722 1.00 0.00 O ATOM 526 CB LEU A 34 4.757 9.998 0.025 1.00 0.00 C ATOM 527 CG LEU A 34 3.919 11.112 0.666 1.00 0.00 C ATOM 528 CD1 LEU A 34 3.212 10.571 1.901 1.00 0.00 C ATOM 529 CD2 LEU A 34 4.822 12.284 1.022 1.00 0.00 C ATOM 0 H LEU A 34 3.357 10.253 -1.985 1.00 0.00 H new ATOM 0 HA LEU A 34 5.862 11.284 -1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.134 9.109 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.572 9.745 0.704 1.00 0.00 H new ATOM 0 HG LEU A 34 3.162 11.461 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.617 11.363 2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.560 9.746 1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.952 10.216 2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.228 13.076 1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.586 11.954 1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.300 12.663 0.118 1.00 0.00 H new ATOM 541 N ALA A 35 5.885 8.067 -2.065 1.00 0.00 N ATOM 542 CA ALA A 35 6.756 6.948 -2.405 1.00 0.00 C ATOM 543 C ALA A 35 7.682 7.304 -3.561 1.00 0.00 C ATOM 544 O ALA A 35 8.881 7.028 -3.517 1.00 0.00 O ATOM 545 CB ALA A 35 5.928 5.719 -2.751 1.00 0.00 C ATOM 0 H ALA A 35 4.889 7.853 -2.108 1.00 0.00 H new ATOM 0 HA ALA A 35 7.373 6.724 -1.535 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.592 4.892 -3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.312 5.442 -1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.286 5.941 -3.603 1.00 0.00 H new ATOM 551 N ASN A 36 7.120 7.920 -4.596 1.00 0.00 N ATOM 552 CA ASN A 36 7.862 8.194 -5.820 1.00 0.00 C ATOM 553 C ASN A 36 8.753 9.420 -5.662 1.00 0.00 C ATOM 554 O ASN A 36 9.513 9.768 -6.566 1.00 0.00 O ATOM 555 CB ASN A 36 6.914 8.371 -6.991 1.00 0.00 C ATOM 556 CG ASN A 36 6.279 7.078 -7.421 1.00 0.00 C ATOM 557 OD1 ASN A 36 6.772 5.992 -7.097 1.00 0.00 O ATOM 558 ND2 ASN A 36 5.192 7.173 -8.144 1.00 0.00 N ATOM 0 H ASN A 36 6.151 8.239 -4.611 1.00 0.00 H new ATOM 0 HA ASN A 36 8.504 7.337 -6.021 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.134 9.082 -6.718 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.457 8.802 -7.832 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.717 6.329 -8.463 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.820 8.091 -8.388 1.00 0.00 H new ATOM 565 N GLU A 37 8.654 10.071 -4.508 1.00 0.00 N ATOM 566 CA GLU A 37 9.562 11.159 -4.162 1.00 0.00 C ATOM 567 C GLU A 37 10.653 10.684 -3.211 1.00 0.00 C ATOM 568 O GLU A 37 11.517 11.463 -2.805 1.00 0.00 O ATOM 569 CB GLU A 37 8.788 12.318 -3.529 1.00 0.00 C ATOM 570 CG GLU A 37 7.831 13.027 -4.476 1.00 0.00 C ATOM 571 CD GLU A 37 8.541 13.805 -5.550 1.00 0.00 C ATOM 572 OE1 GLU A 37 9.720 14.024 -5.418 1.00 0.00 O ATOM 573 OE2 GLU A 37 7.902 14.181 -6.504 1.00 0.00 O ATOM 0 H GLU A 37 7.954 9.864 -3.796 1.00 0.00 H new ATOM 0 HA GLU A 37 10.035 11.504 -5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.223 11.939 -2.677 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.501 13.045 -3.140 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.175 12.291 -4.941 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.196 13.703 -3.904 1.00 0.00 H new ATOM 580 N GLY A 38 10.609 9.404 -2.859 1.00 0.00 N ATOM 581 CA GLY A 38 11.634 8.808 -2.009 1.00 0.00 C ATOM 582 C GLY A 38 11.371 9.105 -0.539 1.00 0.00 C ATOM 583 O GLY A 38 12.277 9.032 0.291 1.00 0.00 O ATOM 0 H GLY A 38 9.874 8.759 -3.149 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.659 7.730 -2.166 1.00 0.00 H new ATOM 0 HA3 GLY A 38 12.614 9.194 -2.291 1.00 0.00 H new ATOM 587 N PHE A 39 10.125 9.443 -0.221 1.00 0.00 N ATOM 588 CA PHE A 39 9.735 9.727 1.154 1.00 0.00 C ATOM 589 C PHE A 39 9.743 8.462 2.002 1.00 0.00 C ATOM 590 O PHE A 39 10.379 8.413 3.054 1.00 0.00 O ATOM 591 CB PHE A 39 8.345 10.366 1.194 1.00 0.00 C ATOM 592 CG PHE A 39 7.828 10.605 2.584 1.00 0.00 C ATOM 593 CD1 PHE A 39 8.246 11.708 3.314 1.00 0.00 C ATOM 594 CD2 PHE A 39 6.924 9.729 3.164 1.00 0.00 C ATOM 595 CE1 PHE A 39 7.772 11.929 4.593 1.00 0.00 C ATOM 596 CE2 PHE A 39 6.446 9.948 4.441 1.00 0.00 C ATOM 597 CZ PHE A 39 6.872 11.050 5.157 1.00 0.00 C ATOM 0 H PHE A 39 9.368 9.527 -0.899 1.00 0.00 H new ATOM 0 HA PHE A 39 10.464 10.424 1.568 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.376 11.316 0.660 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.644 9.723 0.661 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.950 12.402 2.878 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.589 8.864 2.610 1.00 0.00 H new ATOM 0 HE1 PHE A 39 8.107 12.791 5.151 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.740 9.258 4.879 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.501 11.223 6.156 1.00 0.00 H new ATOM 607 N TYR A 40 9.032 7.440 1.536 1.00 0.00 N ATOM 608 CA TYR A 40 8.926 6.184 2.269 1.00 0.00 C ATOM 609 C TYR A 40 10.241 5.418 2.241 1.00 0.00 C ATOM 610 O TYR A 40 10.499 4.574 3.101 1.00 0.00 O ATOM 611 CB TYR A 40 7.797 5.324 1.697 1.00 0.00 C ATOM 612 CG TYR A 40 6.419 5.740 2.157 1.00 0.00 C ATOM 613 CD1 TYR A 40 6.021 5.501 3.463 1.00 0.00 C ATOM 614 CD2 TYR A 40 5.550 6.363 1.270 1.00 0.00 C ATOM 615 CE1 TYR A 40 4.761 5.881 3.883 1.00 0.00 C ATOM 616 CE2 TYR A 40 4.290 6.743 1.691 1.00 0.00 C ATOM 617 CZ TYR A 40 3.898 6.500 3.002 1.00 0.00 C ATOM 618 OH TYR A 40 2.644 6.879 3.420 1.00 0.00 O ATOM 0 H TYR A 40 8.521 7.457 0.654 1.00 0.00 H new ATOM 0 HA TYR A 40 8.695 6.421 3.308 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.835 5.368 0.609 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.966 4.285 1.980 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.697 5.017 4.153 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.859 6.550 0.252 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.451 5.694 4.901 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.612 7.227 1.004 1.00 0.00 H new ATOM 0 HH TYR A 40 2.590 6.812 4.396 1.00 0.00 H new ATOM 628 N ASN A 41 11.072 5.714 1.248 1.00 0.00 N ATOM 629 CA ASN A 41 12.441 5.210 1.217 1.00 0.00 C ATOM 630 C ASN A 41 13.240 5.710 2.414 1.00 0.00 C ATOM 631 O ASN A 41 13.563 6.894 2.506 1.00 0.00 O ATOM 632 CB ASN A 41 13.123 5.599 -0.081 1.00 0.00 C ATOM 633 CG ASN A 41 14.516 5.042 -0.191 1.00 0.00 C ATOM 634 OD1 ASN A 41 15.164 4.754 0.822 1.00 0.00 O ATOM 635 ND2 ASN A 41 14.987 4.886 -1.401 1.00 0.00 N ATOM 0 H ASN A 41 10.822 6.301 0.452 1.00 0.00 H new ATOM 0 HA ASN A 41 12.399 4.122 1.274 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.526 5.244 -0.921 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.163 6.686 -0.155 1.00 0.00 H new ATOM 0 HD21 ASN A 41 15.926 4.513 -1.538 1.00 0.00 H new ATOM 0 HD22 ASN A 41 14.415 5.138 -2.207 1.00 0.00 H new ATOM 642 N GLY A 42 13.555 4.800 3.330 1.00 0.00 N ATOM 643 CA GLY A 42 14.346 5.140 4.505 1.00 0.00 C ATOM 644 C GLY A 42 13.502 5.089 5.772 1.00 0.00 C ATOM 645 O GLY A 42 14.022 5.201 6.882 1.00 0.00 O ATOM 0 H GLY A 42 13.274 3.821 3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.184 4.448 4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.768 6.138 4.386 1.00 0.00 H new ATOM 649 N LEU A 43 12.195 4.921 5.600 1.00 0.00 N ATOM 650 CA LEU A 43 11.281 4.811 6.730 1.00 0.00 C ATOM 651 C LEU A 43 11.118 3.362 7.169 1.00 0.00 C ATOM 652 O LEU A 43 11.400 2.438 6.408 1.00 0.00 O ATOM 653 CB LEU A 43 9.912 5.398 6.363 1.00 0.00 C ATOM 654 CG LEU A 43 9.931 6.818 5.781 1.00 0.00 C ATOM 655 CD1 LEU A 43 8.510 7.362 5.722 1.00 0.00 C ATOM 656 CD2 LEU A 43 10.821 7.705 6.637 1.00 0.00 C ATOM 0 H LEU A 43 11.745 4.858 4.687 1.00 0.00 H new ATOM 0 HA LEU A 43 11.707 5.375 7.560 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.435 4.736 5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.287 5.399 7.256 1.00 0.00 H new ATOM 0 HG LEU A 43 10.335 6.801 4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.523 8.371 5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.900 6.718 5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.088 7.387 6.727 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.835 8.714 6.224 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.433 7.735 7.655 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.834 7.303 6.646 1.00 0.00 H new ATOM 668 N THR A 44 10.661 3.171 8.402 1.00 0.00 N ATOM 669 CA THR A 44 10.652 1.849 9.018 1.00 0.00 C ATOM 670 C THR A 44 9.238 1.426 9.395 1.00 0.00 C ATOM 671 O THR A 44 8.318 2.243 9.407 1.00 0.00 O ATOM 672 CB THR A 44 11.552 1.816 10.268 1.00 0.00 C ATOM 673 OG1 THR A 44 10.967 2.617 11.303 1.00 0.00 O ATOM 674 CG2 THR A 44 12.938 2.348 9.942 1.00 0.00 C ATOM 0 H THR A 44 10.292 3.915 8.994 1.00 0.00 H new ATOM 0 HA THR A 44 11.043 1.147 8.282 1.00 0.00 H new ATOM 0 HB THR A 44 11.641 0.783 10.605 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.640 3.458 10.921 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.559 2.317 10.837 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.390 1.732 9.165 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.859 3.377 9.590 1.00 0.00 H new ATOM 682 N PHE A 45 9.071 0.144 9.702 1.00 0.00 N ATOM 683 CA PHE A 45 7.848 -0.340 10.331 1.00 0.00 C ATOM 684 C PHE A 45 7.997 -0.406 11.846 1.00 0.00 C ATOM 685 O PHE A 45 8.529 -1.376 12.386 1.00 0.00 O ATOM 686 CB PHE A 45 7.481 -1.724 9.790 1.00 0.00 C ATOM 687 CG PHE A 45 7.016 -1.711 8.362 1.00 0.00 C ATOM 688 CD1 PHE A 45 5.674 -1.541 8.055 1.00 0.00 C ATOM 689 CD2 PHE A 45 7.920 -1.867 7.321 1.00 0.00 C ATOM 690 CE1 PHE A 45 5.245 -1.531 6.742 1.00 0.00 C ATOM 691 CE2 PHE A 45 7.493 -1.856 6.007 1.00 0.00 C ATOM 692 CZ PHE A 45 6.156 -1.688 5.717 1.00 0.00 C ATOM 0 H PHE A 45 9.768 -0.579 9.525 1.00 0.00 H new ATOM 0 HA PHE A 45 7.051 0.364 10.092 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.348 -2.379 9.874 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.697 -2.152 10.414 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.956 -1.415 8.852 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.969 -1.999 7.540 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.197 -1.400 6.517 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.207 -1.979 5.206 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.822 -1.679 4.690 1.00 0.00 H new ATOM 702 N HIS A 46 7.523 0.632 12.527 1.00 0.00 N ATOM 703 CA HIS A 46 7.866 0.850 13.927 1.00 0.00 C ATOM 704 C HIS A 46 7.031 -0.036 14.843 1.00 0.00 C ATOM 705 O HIS A 46 7.350 -0.203 16.020 1.00 0.00 O ATOM 706 CB HIS A 46 7.666 2.321 14.310 1.00 0.00 C ATOM 707 CG HIS A 46 6.245 2.780 14.212 1.00 0.00 C ATOM 708 ND1 HIS A 46 5.549 2.798 13.020 1.00 0.00 N ATOM 709 CD2 HIS A 46 5.388 3.240 15.154 1.00 0.00 C ATOM 710 CE1 HIS A 46 4.325 3.248 13.236 1.00 0.00 C ATOM 711 NE2 HIS A 46 4.203 3.523 14.521 1.00 0.00 N ATOM 0 H HIS A 46 6.900 1.336 12.131 1.00 0.00 H new ATOM 0 HA HIS A 46 8.916 0.587 14.053 1.00 0.00 H new ATOM 0 HB2 HIS A 46 8.018 2.473 15.330 1.00 0.00 H new ATOM 0 HB3 HIS A 46 8.285 2.943 13.663 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.597 3.362 16.207 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.556 3.370 12.488 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.363 3.887 14.971 1.00 0.00 H new ATOM 718 N ARG A 47 5.962 -0.604 14.295 1.00 0.00 N ATOM 719 CA ARG A 47 5.117 -1.527 15.043 1.00 0.00 C ATOM 720 C ARG A 47 4.719 -2.725 14.191 1.00 0.00 C ATOM 721 O ARG A 47 3.613 -2.777 13.653 1.00 0.00 O ATOM 722 CB ARG A 47 3.862 -0.822 15.538 1.00 0.00 C ATOM 723 CG ARG A 47 4.105 0.260 16.578 1.00 0.00 C ATOM 724 CD ARG A 47 4.578 -0.311 17.864 1.00 0.00 C ATOM 725 NE ARG A 47 4.666 0.698 18.907 1.00 0.00 N ATOM 726 CZ ARG A 47 5.737 1.487 19.120 1.00 0.00 C ATOM 727 NH1 ARG A 47 6.800 1.371 18.357 1.00 0.00 N ATOM 728 NH2 ARG A 47 5.718 2.377 20.097 1.00 0.00 N ATOM 0 H ARG A 47 5.660 -0.441 13.334 1.00 0.00 H new ATOM 0 HA ARG A 47 5.695 -1.881 15.897 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.352 -0.377 14.684 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.187 -1.566 15.960 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.843 0.968 16.201 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.184 0.818 16.745 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.899 -1.102 18.181 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.556 -0.770 17.719 1.00 0.00 H new ATOM 0 HE ARG A 47 3.860 0.817 19.521 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.814 0.684 17.603 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.611 1.968 18.518 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.893 2.466 20.690 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.529 2.974 20.258 1.00 0.00 H new ATOM 742 N VAL A 48 5.628 -3.687 14.070 1.00 0.00 N ATOM 743 CA VAL A 48 5.338 -4.932 13.370 1.00 0.00 C ATOM 744 C VAL A 48 4.669 -5.940 14.293 1.00 0.00 C ATOM 745 O VAL A 48 5.213 -6.299 15.338 1.00 0.00 O ATOM 746 CB VAL A 48 6.634 -5.540 12.803 1.00 0.00 C ATOM 747 CG1 VAL A 48 6.350 -6.883 12.146 1.00 0.00 C ATOM 748 CG2 VAL A 48 7.269 -4.577 11.811 1.00 0.00 C ATOM 0 H VAL A 48 6.573 -3.627 14.449 1.00 0.00 H new ATOM 0 HA VAL A 48 4.655 -4.701 12.553 1.00 0.00 H new ATOM 0 HB VAL A 48 7.333 -5.706 13.622 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.277 -7.298 11.751 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.931 -7.568 12.884 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.638 -6.747 11.332 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.185 -5.015 11.415 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.574 -4.387 10.993 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.503 -3.639 12.314 1.00 0.00 H new ATOM 758 N ILE A 49 3.483 -6.397 13.903 1.00 0.00 N ATOM 759 CA ILE A 49 2.678 -7.264 14.754 1.00 0.00 C ATOM 760 C ILE A 49 2.170 -8.476 13.983 1.00 0.00 C ATOM 761 O ILE A 49 1.064 -8.462 13.443 1.00 0.00 O ATOM 762 CB ILE A 49 1.482 -6.495 15.346 1.00 0.00 C ATOM 763 CG1 ILE A 49 1.956 -5.198 16.008 1.00 0.00 C ATOM 764 CG2 ILE A 49 0.734 -7.363 16.346 1.00 0.00 C ATOM 765 CD1 ILE A 49 0.834 -4.340 16.544 1.00 0.00 C ATOM 0 H ILE A 49 3.058 -6.180 13.001 1.00 0.00 H new ATOM 0 HA ILE A 49 3.319 -7.608 15.566 1.00 0.00 H new ATOM 0 HB ILE A 49 0.799 -6.239 14.536 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.634 -5.445 16.825 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.528 -4.619 15.283 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.108 -6.804 16.755 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.366 -8.259 15.846 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.407 -7.648 17.155 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.249 -3.440 16.998 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.168 -4.061 15.728 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.275 -4.899 17.294 1.00 0.00 H new ATOM 777 N PRO A 50 2.985 -9.524 13.935 1.00 0.00 N ATOM 778 CA PRO A 50 2.602 -10.764 13.271 1.00 0.00 C ATOM 779 C PRO A 50 1.368 -11.378 13.919 1.00 0.00 C ATOM 780 O PRO A 50 1.248 -11.407 15.144 1.00 0.00 O ATOM 781 CB PRO A 50 3.837 -11.651 13.456 1.00 0.00 C ATOM 782 CG PRO A 50 4.953 -10.684 13.667 1.00 0.00 C ATOM 783 CD PRO A 50 4.338 -9.576 14.480 1.00 0.00 C ATOM 0 HA PRO A 50 2.332 -10.626 12.224 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.723 -12.320 14.309 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.012 -12.277 12.581 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.787 -11.148 14.194 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.342 -10.313 12.719 1.00 0.00 H new ATOM 0 HD2 PRO A 50 4.341 -9.801 15.547 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.867 -8.632 14.352 1.00 0.00 H new ATOM 791 N GLY A 51 0.451 -11.866 13.090 1.00 0.00 N ATOM 792 CA GLY A 51 -0.764 -12.502 13.582 1.00 0.00 C ATOM 793 C GLY A 51 -1.919 -11.511 13.644 1.00 0.00 C ATOM 794 O GLY A 51 -3.071 -11.895 13.848 1.00 0.00 O ATOM 0 H GLY A 51 0.527 -11.833 12.073 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.031 -13.335 12.931 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.584 -12.917 14.574 1.00 0.00 H new ATOM 798 N PHE A 52 -1.603 -10.233 13.466 1.00 0.00 N ATOM 799 CA PHE A 52 -2.615 -9.182 13.499 1.00 0.00 C ATOM 800 C PHE A 52 -2.386 -8.162 12.392 1.00 0.00 C ATOM 801 O PHE A 52 -2.525 -8.474 11.209 1.00 0.00 O ATOM 802 CB PHE A 52 -2.610 -8.479 14.858 1.00 0.00 C ATOM 803 CG PHE A 52 -2.970 -9.376 16.007 1.00 0.00 C ATOM 804 CD1 PHE A 52 -4.297 -9.643 16.310 1.00 0.00 C ATOM 805 CD2 PHE A 52 -1.982 -9.957 16.787 1.00 0.00 C ATOM 806 CE1 PHE A 52 -4.630 -10.468 17.367 1.00 0.00 C ATOM 807 CE2 PHE A 52 -2.312 -10.785 17.845 1.00 0.00 C ATOM 808 CZ PHE A 52 -3.636 -11.039 18.135 1.00 0.00 C ATOM 0 H PHE A 52 -0.654 -9.899 13.297 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.586 -9.651 13.340 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.620 -8.058 15.035 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.311 -7.645 14.827 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.080 -9.200 15.712 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.943 -9.761 16.566 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.668 -10.666 17.592 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.533 -11.233 18.444 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.895 -11.684 18.962 1.00 0.00 H new ATOM 818 N VAL A 53 -2.034 -6.942 12.783 1.00 0.00 N ATOM 819 CA VAL A 53 -1.807 -5.867 11.825 1.00 0.00 C ATOM 820 C VAL A 53 -0.537 -5.093 12.156 1.00 0.00 C ATOM 821 O VAL A 53 -0.363 -4.619 13.279 1.00 0.00 O ATOM 822 CB VAL A 53 -3.006 -4.899 11.812 1.00 0.00 C ATOM 823 CG1 VAL A 53 -2.787 -3.793 10.791 1.00 0.00 C ATOM 824 CG2 VAL A 53 -4.285 -5.664 11.513 1.00 0.00 C ATOM 0 H VAL A 53 -1.900 -6.673 13.758 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.693 -6.320 10.840 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.098 -4.437 12.795 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.644 -3.119 10.796 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.885 -3.236 11.046 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.675 -4.231 9.799 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.129 -4.974 11.505 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.202 -6.146 10.539 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.443 -6.422 12.280 1.00 0.00 H new ATOM 834 N SER A 54 0.347 -4.968 11.173 1.00 0.00 N ATOM 835 CA SER A 54 1.577 -4.202 11.340 1.00 0.00 C ATOM 836 C SER A 54 1.384 -2.752 10.917 1.00 0.00 C ATOM 837 O SER A 54 0.512 -2.443 10.104 1.00 0.00 O ATOM 838 CB SER A 54 2.697 -4.829 10.533 1.00 0.00 C ATOM 839 OG SER A 54 3.000 -6.112 11.008 1.00 0.00 O ATOM 0 H SER A 54 0.235 -5.388 10.250 1.00 0.00 H new ATOM 0 HA SER A 54 1.842 -4.217 12.397 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.407 -4.885 9.484 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.585 -4.199 10.585 1.00 0.00 H new ATOM 0 HG SER A 54 3.606 -6.559 10.380 1.00 0.00 H new ATOM 845 N GLN A 55 2.201 -1.864 11.473 1.00 0.00 N ATOM 846 CA GLN A 55 2.117 -0.443 11.159 1.00 0.00 C ATOM 847 C GLN A 55 3.502 0.158 10.951 1.00 0.00 C ATOM 848 O GLN A 55 4.434 -0.135 11.699 1.00 0.00 O ATOM 849 CB GLN A 55 1.382 0.309 12.271 1.00 0.00 C ATOM 850 CG GLN A 55 1.133 1.778 11.970 1.00 0.00 C ATOM 851 CD GLN A 55 0.460 2.498 13.123 1.00 0.00 C ATOM 852 OE1 GLN A 55 0.259 1.927 14.198 1.00 0.00 O ATOM 853 NE2 GLN A 55 0.108 3.760 12.906 1.00 0.00 N ATOM 0 H GLN A 55 2.930 -2.104 12.145 1.00 0.00 H new ATOM 0 HA GLN A 55 1.556 -0.340 10.230 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.425 -0.180 12.454 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.961 0.231 13.191 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.081 2.266 11.744 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.511 1.863 11.079 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.294 4.193 12.001 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.348 4.296 13.644 1.00 0.00 H new ATOM 862 N GLY A 56 3.629 1.000 9.932 1.00 0.00 N ATOM 863 CA GLY A 56 4.916 1.588 9.579 1.00 0.00 C ATOM 864 C GLY A 56 4.735 2.894 8.817 1.00 0.00 C ATOM 865 O GLY A 56 3.614 3.374 8.645 1.00 0.00 O ATOM 0 H GLY A 56 2.855 1.291 9.335 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.496 1.769 10.484 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.485 0.885 8.971 1.00 0.00 H new ATOM 869 N GLY A 57 5.844 3.466 8.362 1.00 0.00 N ATOM 870 CA GLY A 57 5.813 4.739 7.651 1.00 0.00 C ATOM 871 C GLY A 57 6.443 5.849 8.481 1.00 0.00 C ATOM 872 O GLY A 57 6.170 7.030 8.266 1.00 0.00 O ATOM 0 H GLY A 57 6.777 3.068 8.473 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.345 4.643 6.704 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.782 5.000 7.412 1.00 0.00 H new ATOM 876 N CYS A 58 7.287 5.463 9.432 1.00 0.00 N ATOM 877 CA CYS A 58 7.870 6.415 10.371 1.00 0.00 C ATOM 878 C CYS A 58 9.384 6.487 10.213 1.00 0.00 C ATOM 879 O CYS A 58 10.062 5.462 10.158 1.00 0.00 O ATOM 880 CB CYS A 58 7.531 6.026 11.810 1.00 0.00 C ATOM 881 SG CYS A 58 5.762 6.047 12.184 1.00 0.00 S ATOM 0 H CYS A 58 7.583 4.497 9.573 1.00 0.00 H new ATOM 0 HA CYS A 58 7.446 7.395 10.150 1.00 0.00 H new ATOM 0 HB2 CYS A 58 7.921 5.027 12.006 1.00 0.00 H new ATOM 0 HB3 CYS A 58 8.043 6.707 12.489 1.00 0.00 H new ATOM 0 HG CYS A 58 5.416 7.236 12.581 1.00 0.00 H new ATOM 887 N PRO A 59 9.908 7.706 10.143 1.00 0.00 N ATOM 888 CA PRO A 59 11.347 7.917 10.046 1.00 0.00 C ATOM 889 C PRO A 59 12.078 7.266 11.213 1.00 0.00 C ATOM 890 O PRO A 59 12.030 7.756 12.341 1.00 0.00 O ATOM 891 CB PRO A 59 11.475 9.443 10.081 1.00 0.00 C ATOM 892 CG PRO A 59 10.171 9.932 9.550 1.00 0.00 C ATOM 893 CD PRO A 59 9.155 8.974 10.115 1.00 0.00 C ATOM 0 HA PRO A 59 11.789 7.475 9.153 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.653 9.804 11.094 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.308 9.787 9.468 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.971 10.956 9.867 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.159 9.927 8.460 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.822 9.272 11.109 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.266 8.906 9.488 1.00 0.00 H new ATOM 901 N ARG A 60 12.755 6.157 10.936 1.00 0.00 N ATOM 902 CA ARG A 60 13.505 5.439 11.960 1.00 0.00 C ATOM 903 C ARG A 60 12.640 5.166 13.184 1.00 0.00 C ATOM 904 O ARG A 60 13.140 5.092 14.306 1.00 0.00 O ATOM 905 CB ARG A 60 14.734 6.232 12.379 1.00 0.00 C ATOM 906 CG ARG A 60 15.736 6.492 11.267 1.00 0.00 C ATOM 907 CD ARG A 60 16.869 7.332 11.733 1.00 0.00 C ATOM 908 NE ARG A 60 17.715 7.764 10.631 1.00 0.00 N ATOM 909 CZ ARG A 60 18.773 8.588 10.756 1.00 0.00 C ATOM 910 NH1 ARG A 60 19.102 9.062 11.938 1.00 0.00 N ATOM 911 NH2 ARG A 60 19.480 8.922 9.691 1.00 0.00 N ATOM 0 H ARG A 60 12.800 5.735 10.009 1.00 0.00 H new ATOM 0 HA ARG A 60 13.818 4.487 11.530 1.00 0.00 H new ATOM 0 HB2 ARG A 60 14.409 7.189 12.787 1.00 0.00 H new ATOM 0 HB3 ARG A 60 15.237 5.696 13.184 1.00 0.00 H new ATOM 0 HG2 ARG A 60 16.117 5.542 10.892 1.00 0.00 H new ATOM 0 HG3 ARG A 60 15.235 6.986 10.434 1.00 0.00 H new ATOM 0 HD2 ARG A 60 16.481 8.206 12.257 1.00 0.00 H new ATOM 0 HD3 ARG A 60 17.467 6.769 12.450 1.00 0.00 H new ATOM 0 HE ARG A 60 17.491 7.418 9.698 1.00 0.00 H new ATOM 0 HH11 ARG A 60 18.556 8.806 12.760 1.00 0.00 H new ATOM 0 HH12 ARG A 60 19.903 9.686 12.032 1.00 0.00 H new ATOM 0 HH21 ARG A 60 19.225 8.556 8.774 1.00 0.00 H new ATOM 0 HH22 ARG A 60 20.281 9.546 9.786 1.00 0.00 H new ATOM 925 N GLY A 61 11.338 5.015 12.961 1.00 0.00 N ATOM 926 CA GLY A 61 10.403 4.736 14.043 1.00 0.00 C ATOM 927 C GLY A 61 10.327 5.902 15.020 1.00 0.00 C ATOM 928 O GLY A 61 10.220 5.705 16.231 1.00 0.00 O ATOM 0 H GLY A 61 10.907 5.082 12.039 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.414 4.539 13.630 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.713 3.835 14.572 1.00 0.00 H new ATOM 932 N ASN A 62 10.383 7.119 14.488 1.00 0.00 N ATOM 933 CA ASN A 62 10.257 8.319 15.304 1.00 0.00 C ATOM 934 C ASN A 62 8.816 8.810 15.344 1.00 0.00 C ATOM 935 O ASN A 62 8.530 9.884 15.873 1.00 0.00 O ATOM 936 CB ASN A 62 11.179 9.411 14.794 1.00 0.00 C ATOM 937 CG ASN A 62 12.630 9.112 15.056 1.00 0.00 C ATOM 938 OD1 ASN A 62 12.966 8.397 16.007 1.00 0.00 O ATOM 939 ND2 ASN A 62 13.494 9.646 14.231 1.00 0.00 N ATOM 0 H ASN A 62 10.515 7.299 13.493 1.00 0.00 H new ATOM 0 HA ASN A 62 10.552 8.064 16.322 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.026 9.539 13.722 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.915 10.356 15.269 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.492 9.479 14.359 1.00 0.00 H new ATOM 0 HD22 ASN A 62 13.169 10.230 13.460 1.00 0.00 H new ATOM 946 N GLY A 63 7.910 8.016 14.782 1.00 0.00 N ATOM 947 CA GLY A 63 6.485 8.319 14.840 1.00 0.00 C ATOM 948 C GLY A 63 6.104 9.375 13.811 1.00 0.00 C ATOM 949 O GLY A 63 5.529 9.062 12.769 1.00 0.00 O ATOM 0 H GLY A 63 8.138 7.157 14.281 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.910 7.410 14.662 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.226 8.670 15.839 1.00 0.00 H new ATOM 953 N THR A 64 6.426 10.629 14.111 1.00 0.00 N ATOM 954 CA THR A 64 5.998 11.749 13.281 1.00 0.00 C ATOM 955 C THR A 64 6.949 11.962 12.110 1.00 0.00 C ATOM 956 O THR A 64 8.150 12.154 12.300 1.00 0.00 O ATOM 957 CB THR A 64 5.897 13.045 14.108 1.00 0.00 C ATOM 958 OG1 THR A 64 4.936 12.872 15.157 1.00 0.00 O ATOM 959 CG2 THR A 64 5.474 14.209 13.225 1.00 0.00 C ATOM 0 H THR A 64 6.982 10.895 14.923 1.00 0.00 H new ATOM 0 HA THR A 64 5.011 11.502 12.890 1.00 0.00 H new ATOM 0 HB THR A 64 6.876 13.263 14.535 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.874 13.696 15.683 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.408 15.116 13.826 1.00 0.00 H new ATOM 0 HG22 THR A 64 6.209 14.351 12.433 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.501 13.995 12.782 1.00 0.00 H new ATOM 967 N GLY A 65 6.404 11.928 10.899 1.00 0.00 N ATOM 968 CA GLY A 65 7.189 12.190 9.698 1.00 0.00 C ATOM 969 C GLY A 65 6.949 13.603 9.181 1.00 0.00 C ATOM 970 O GLY A 65 6.460 14.466 9.910 1.00 0.00 O ATOM 0 H GLY A 65 5.421 11.721 10.723 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.248 12.055 9.916 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.928 11.468 8.925 1.00 0.00 H new ATOM 974 N ASP A 66 7.297 13.832 7.919 1.00 0.00 N ATOM 975 CA ASP A 66 7.099 15.135 7.295 1.00 0.00 C ATOM 976 C ASP A 66 6.543 14.991 5.884 1.00 0.00 C ATOM 977 O ASP A 66 7.149 15.455 4.918 1.00 0.00 O ATOM 978 CB ASP A 66 8.415 15.916 7.256 1.00 0.00 C ATOM 979 CG ASP A 66 8.227 17.370 6.845 1.00 0.00 C ATOM 980 OD1 ASP A 66 7.113 17.836 6.868 1.00 0.00 O ATOM 981 OD2 ASP A 66 9.202 18.002 6.512 1.00 0.00 O ATOM 0 H ASP A 66 7.718 13.132 7.308 1.00 0.00 H new ATOM 0 HA ASP A 66 6.375 15.684 7.897 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.883 15.879 8.240 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.099 15.432 6.559 1.00 0.00 H new ATOM 986 N ALA A 67 5.388 14.346 5.771 1.00 0.00 N ATOM 987 CA ALA A 67 4.745 14.146 4.478 1.00 0.00 C ATOM 988 C ALA A 67 4.200 15.456 3.925 1.00 0.00 C ATOM 989 O ALA A 67 4.297 15.723 2.726 1.00 0.00 O ATOM 990 CB ALA A 67 3.629 13.117 4.594 1.00 0.00 C ATOM 0 H ALA A 67 4.877 13.952 6.561 1.00 0.00 H new ATOM 0 HA ALA A 67 5.498 13.774 3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.159 12.979 3.620 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.043 12.168 4.935 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.885 13.466 5.310 1.00 0.00 H new ATOM 996 N GLY A 68 3.627 16.271 4.804 1.00 0.00 N ATOM 997 CA GLY A 68 3.002 17.522 4.394 1.00 0.00 C ATOM 998 C GLY A 68 1.560 17.301 3.956 1.00 0.00 C ATOM 999 O GLY A 68 0.929 18.193 3.389 1.00 0.00 O ATOM 0 H GLY A 68 3.583 16.087 5.806 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.029 18.233 5.220 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.570 17.964 3.575 1.00 0.00 H new ATOM 1003 N TYR A 69 1.044 16.105 4.222 1.00 0.00 N ATOM 1004 CA TYR A 69 -0.322 15.761 3.846 1.00 0.00 C ATOM 1005 C TYR A 69 -1.149 15.378 5.066 1.00 0.00 C ATOM 1006 O TYR A 69 -0.798 14.454 5.801 1.00 0.00 O ATOM 1007 CB TYR A 69 -0.325 14.621 2.824 1.00 0.00 C ATOM 1008 CG TYR A 69 0.339 14.976 1.512 1.00 0.00 C ATOM 1009 CD1 TYR A 69 -0.349 15.720 0.566 1.00 0.00 C ATOM 1010 CD2 TYR A 69 1.636 14.557 1.256 1.00 0.00 C ATOM 1011 CE1 TYR A 69 0.256 16.043 -0.632 1.00 0.00 C ATOM 1012 CE2 TYR A 69 2.243 14.880 0.057 1.00 0.00 C ATOM 1013 CZ TYR A 69 1.546 15.627 -0.888 1.00 0.00 C ATOM 1014 OH TYR A 69 2.150 15.949 -2.082 1.00 0.00 O ATOM 0 H TYR A 69 1.552 15.358 4.696 1.00 0.00 H new ATOM 0 HA TYR A 69 -0.776 16.642 3.392 1.00 0.00 H new ATOM 0 HB2 TYR A 69 0.182 13.758 3.255 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.355 14.322 2.630 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -1.359 16.047 0.766 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.172 13.978 1.994 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.281 16.622 -1.369 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.253 14.554 -0.145 1.00 0.00 H new ATOM 0 HH TYR A 69 3.115 15.796 -2.012 1.00 0.00 H new ATOM 1024 N THR A 70 -2.249 16.093 5.278 1.00 0.00 N ATOM 1025 CA THR A 70 -3.174 15.774 6.358 1.00 0.00 C ATOM 1026 C THR A 70 -4.618 15.797 5.872 1.00 0.00 C ATOM 1027 O THR A 70 -5.146 16.850 5.516 1.00 0.00 O ATOM 1028 CB THR A 70 -3.010 16.752 7.537 1.00 0.00 C ATOM 1029 OG1 THR A 70 -1.663 16.696 8.022 1.00 0.00 O ATOM 1030 CG2 THR A 70 -3.966 16.395 8.664 1.00 0.00 C ATOM 0 H THR A 70 -2.521 16.899 4.715 1.00 0.00 H new ATOM 0 HA THR A 70 -2.935 14.767 6.700 1.00 0.00 H new ATOM 0 HB THR A 70 -3.237 17.759 7.188 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.559 17.319 8.771 1.00 0.00 H new ATOM 0 HG21 THR A 70 -3.836 17.097 9.488 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.992 16.448 8.301 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.756 15.384 9.012 1.00 0.00 H new ATOM 1038 N ILE A 71 -5.250 14.629 5.859 1.00 0.00 N ATOM 1039 CA ILE A 71 -6.597 14.494 5.317 1.00 0.00 C ATOM 1040 C ILE A 71 -7.517 13.782 6.300 1.00 0.00 C ATOM 1041 O ILE A 71 -7.057 13.059 7.184 1.00 0.00 O ATOM 1042 CB ILE A 71 -6.578 13.726 3.983 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -6.017 12.316 4.185 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -5.764 14.483 2.945 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -6.140 11.428 2.968 1.00 0.00 C ATOM 0 H ILE A 71 -4.851 13.761 6.218 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.979 15.500 5.144 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.602 13.639 3.619 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.966 12.390 4.464 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.536 11.845 5.020 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.761 13.926 2.008 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.206 15.466 2.782 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.740 14.601 3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.721 10.447 3.190 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -7.191 11.321 2.700 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.597 11.875 2.135 1.00 0.00 H new ATOM 1057 N PRO A 72 -8.820 13.991 6.142 1.00 0.00 N ATOM 1058 CA PRO A 72 -9.809 13.349 6.999 1.00 0.00 C ATOM 1059 C PRO A 72 -10.004 11.887 6.617 1.00 0.00 C ATOM 1060 O PRO A 72 -9.752 11.494 5.477 1.00 0.00 O ATOM 1061 CB PRO A 72 -11.075 14.173 6.741 1.00 0.00 C ATOM 1062 CG PRO A 72 -10.938 14.622 5.327 1.00 0.00 C ATOM 1063 CD PRO A 72 -9.469 14.915 5.168 1.00 0.00 C ATOM 0 HA PRO A 72 -9.521 13.330 8.050 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -11.975 13.575 6.883 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.144 15.021 7.423 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -11.267 13.850 4.631 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.543 15.507 5.131 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.130 14.726 4.149 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.242 15.957 5.391 1.00 0.00 H new ATOM 1071 N CYS A 73 -10.452 11.084 7.577 1.00 0.00 N ATOM 1072 CA CYS A 73 -10.793 9.692 7.313 1.00 0.00 C ATOM 1073 C CYS A 73 -11.744 9.572 6.129 1.00 0.00 C ATOM 1074 O CYS A 73 -12.831 10.152 6.132 1.00 0.00 O ATOM 1075 CB CYS A 73 -11.436 9.054 8.544 1.00 0.00 C ATOM 1076 SG CYS A 73 -11.907 7.321 8.319 1.00 0.00 S ATOM 0 H CYS A 73 -10.587 11.375 8.545 1.00 0.00 H new ATOM 0 HA CYS A 73 -9.867 9.168 7.074 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -10.741 9.125 9.381 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -12.322 9.628 8.816 1.00 0.00 H new ATOM 0 HG CYS A 73 -12.440 6.870 9.416 1.00 0.00 H new ATOM 1082 N GLU A 74 -11.330 8.816 5.118 1.00 0.00 N ATOM 1083 CA GLU A 74 -12.127 8.653 3.908 1.00 0.00 C ATOM 1084 C GLU A 74 -12.979 7.392 3.975 1.00 0.00 C ATOM 1085 O GLU A 74 -12.536 6.358 4.475 1.00 0.00 O ATOM 1086 CB GLU A 74 -11.220 8.602 2.676 1.00 0.00 C ATOM 1087 CG GLU A 74 -11.964 8.507 1.352 1.00 0.00 C ATOM 1088 CD GLU A 74 -12.931 9.639 1.140 1.00 0.00 C ATOM 1089 OE1 GLU A 74 -12.488 10.743 0.938 1.00 0.00 O ATOM 1090 OE2 GLU A 74 -14.114 9.397 1.182 1.00 0.00 O ATOM 0 H GLU A 74 -10.447 8.306 5.113 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.792 9.513 3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.594 9.494 2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.553 7.745 2.766 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.242 8.495 0.536 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.505 7.562 1.312 1.00 0.00 H new ATOM 1097 N THR A 75 -14.204 7.484 3.468 1.00 0.00 N ATOM 1098 CA THR A 75 -15.149 6.376 3.542 1.00 0.00 C ATOM 1099 C THR A 75 -15.617 5.959 2.154 1.00 0.00 C ATOM 1100 O THR A 75 -16.179 4.877 1.977 1.00 0.00 O ATOM 1101 CB THR A 75 -16.366 6.743 4.411 1.00 0.00 C ATOM 1102 OG1 THR A 75 -17.055 7.856 3.827 1.00 0.00 O ATOM 1103 CG2 THR A 75 -15.926 7.108 5.820 1.00 0.00 C ATOM 0 H THR A 75 -14.566 8.316 3.001 1.00 0.00 H new ATOM 0 HA THR A 75 -14.628 5.537 4.003 1.00 0.00 H new ATOM 0 HB THR A 75 -17.030 5.880 4.461 1.00 0.00 H new ATOM 0 HG1 THR A 75 -17.830 8.088 4.380 1.00 0.00 H new ATOM 0 HG21 THR A 75 -16.800 7.364 6.419 1.00 0.00 H new ATOM 0 HG22 THR A 75 -15.412 6.260 6.272 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.250 7.962 5.780 1.00 0.00 H new ATOM 1111 N ASP A 76 -15.384 6.822 1.172 1.00 0.00 N ATOM 1112 CA ASP A 76 -15.824 6.566 -0.194 1.00 0.00 C ATOM 1113 C ASP A 76 -14.644 6.248 -1.104 1.00 0.00 C ATOM 1114 O ASP A 76 -13.533 6.730 -0.885 1.00 0.00 O ATOM 1115 CB ASP A 76 -16.590 7.770 -0.746 1.00 0.00 C ATOM 1116 CG ASP A 76 -17.904 8.022 -0.018 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -18.656 7.091 0.148 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -18.142 9.142 0.366 1.00 0.00 O ATOM 0 H ASP A 76 -14.892 7.707 1.297 1.00 0.00 H new ATOM 0 HA ASP A 76 -16.485 5.700 -0.170 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -15.963 8.658 -0.671 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -16.792 7.611 -1.805 1.00 0.00 H new ATOM 1123 N ASN A 77 -14.892 5.433 -2.123 1.00 0.00 N ATOM 1124 CA ASN A 77 -16.244 4.983 -2.433 1.00 0.00 C ATOM 1125 C ASN A 77 -16.495 3.580 -1.896 1.00 0.00 C ATOM 1126 O ASN A 77 -17.623 3.230 -1.550 1.00 0.00 O ATOM 1127 CB ASN A 77 -16.494 5.035 -3.929 1.00 0.00 C ATOM 1128 CG ASN A 77 -16.575 6.442 -4.453 1.00 0.00 C ATOM 1129 OD1 ASN A 77 -17.543 7.162 -4.184 1.00 0.00 O ATOM 1130 ND2 ASN A 77 -15.577 6.846 -5.197 1.00 0.00 N ATOM 0 H ASN A 77 -14.173 5.070 -2.749 1.00 0.00 H new ATOM 0 HA ASN A 77 -16.943 5.659 -1.941 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -15.695 4.504 -4.446 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -17.423 4.512 -4.157 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -15.577 7.791 -5.581 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -14.799 6.216 -5.392 1.00 0.00 H new ATOM 1137 N ASN A 78 -15.436 2.779 -1.830 1.00 0.00 N ATOM 1138 CA ASN A 78 -15.559 1.377 -1.451 1.00 0.00 C ATOM 1139 C ASN A 78 -15.398 1.197 0.053 1.00 0.00 C ATOM 1140 O ASN A 78 -14.699 1.968 0.709 1.00 0.00 O ATOM 1141 CB ASN A 78 -14.547 0.531 -2.201 1.00 0.00 C ATOM 1142 CG ASN A 78 -14.862 0.418 -3.667 1.00 0.00 C ATOM 1143 OD1 ASN A 78 -16.015 0.582 -4.081 1.00 0.00 O ATOM 1144 ND2 ASN A 78 -13.858 0.141 -4.460 1.00 0.00 N ATOM 0 H ASN A 78 -14.482 3.078 -2.034 1.00 0.00 H new ATOM 0 HA ASN A 78 -16.560 1.043 -1.723 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.554 0.965 -2.079 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.516 -0.466 -1.762 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -14.011 0.052 -5.465 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.923 0.014 -4.073 1.00 0.00 H new ATOM 1151 N PRO A 79 -16.051 0.173 0.594 1.00 0.00 N ATOM 1152 CA PRO A 79 -15.912 -0.165 2.005 1.00 0.00 C ATOM 1153 C PRO A 79 -14.450 -0.374 2.379 1.00 0.00 C ATOM 1154 O PRO A 79 -13.623 -0.708 1.530 1.00 0.00 O ATOM 1155 CB PRO A 79 -16.718 -1.461 2.131 1.00 0.00 C ATOM 1156 CG PRO A 79 -17.717 -1.379 1.028 1.00 0.00 C ATOM 1157 CD PRO A 79 -16.968 -0.736 -0.109 1.00 0.00 C ATOM 0 HA PRO A 79 -16.265 0.620 2.674 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -16.080 -2.339 2.026 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -17.204 -1.535 3.104 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -18.086 -2.367 0.752 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -18.583 -0.785 1.320 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -16.431 -1.471 -0.709 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -17.635 -0.199 -0.783 1.00 0.00 H new ATOM 1165 N HIS A 80 -14.136 -0.178 3.656 1.00 0.00 N ATOM 1166 CA HIS A 80 -12.763 -0.283 4.132 1.00 0.00 C ATOM 1167 C HIS A 80 -12.631 -1.364 5.198 1.00 0.00 C ATOM 1168 O HIS A 80 -12.417 -1.067 6.373 1.00 0.00 O ATOM 1169 CB HIS A 80 -12.281 1.058 4.696 1.00 0.00 C ATOM 1170 CG HIS A 80 -12.375 2.190 3.720 1.00 0.00 C ATOM 1171 ND1 HIS A 80 -11.446 2.389 2.720 1.00 0.00 N ATOM 1172 CD2 HIS A 80 -13.288 3.182 3.589 1.00 0.00 C ATOM 1173 CE1 HIS A 80 -11.784 3.456 2.017 1.00 0.00 C ATOM 1174 NE2 HIS A 80 -12.897 3.954 2.524 1.00 0.00 N ATOM 0 H HIS A 80 -14.816 0.055 4.380 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.141 -0.556 3.280 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.869 1.303 5.580 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -11.246 0.955 5.020 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -10.627 1.805 2.550 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -14.160 3.336 4.207 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -11.242 3.853 1.171 1.00 0.00 H new ATOM 1181 N ARG A 81 -12.761 -2.619 4.779 1.00 0.00 N ATOM 1182 CA ARG A 81 -12.587 -3.749 5.683 1.00 0.00 C ATOM 1183 C ARG A 81 -11.137 -4.215 5.710 1.00 0.00 C ATOM 1184 O ARG A 81 -10.504 -4.367 4.665 1.00 0.00 O ATOM 1185 CB ARG A 81 -13.481 -4.908 5.269 1.00 0.00 C ATOM 1186 CG ARG A 81 -13.487 -6.087 6.229 1.00 0.00 C ATOM 1187 CD ARG A 81 -14.501 -7.102 5.847 1.00 0.00 C ATOM 1188 NE ARG A 81 -15.855 -6.582 5.955 1.00 0.00 N ATOM 1189 CZ ARG A 81 -16.951 -7.193 5.464 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -16.837 -8.341 4.834 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -18.140 -6.637 5.613 1.00 0.00 N ATOM 0 H ARG A 81 -12.986 -2.878 3.819 1.00 0.00 H new ATOM 0 HA ARG A 81 -12.867 -3.415 6.682 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.501 -4.540 5.162 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -13.164 -5.259 4.287 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -12.499 -6.548 6.245 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.690 -5.732 7.239 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.319 -7.430 4.824 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.396 -7.978 6.487 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.984 -5.692 6.436 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -15.919 -8.769 4.717 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.667 -8.803 4.462 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -18.229 -5.745 6.100 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -18.970 -7.100 5.241 1.00 0.00 H new ATOM 1205 N HIS A 82 -10.614 -4.440 6.910 1.00 0.00 N ATOM 1206 CA HIS A 82 -9.224 -4.845 7.079 1.00 0.00 C ATOM 1207 C HIS A 82 -9.064 -6.350 6.903 1.00 0.00 C ATOM 1208 O HIS A 82 -8.831 -7.076 7.870 1.00 0.00 O ATOM 1209 CB HIS A 82 -8.701 -4.427 8.457 1.00 0.00 C ATOM 1210 CG HIS A 82 -8.439 -2.959 8.581 1.00 0.00 C ATOM 1211 ND1 HIS A 82 -9.437 -2.013 8.466 1.00 0.00 N ATOM 1212 CD2 HIS A 82 -7.295 -2.273 8.807 1.00 0.00 C ATOM 1213 CE1 HIS A 82 -8.915 -0.808 8.619 1.00 0.00 C ATOM 1214 NE2 HIS A 82 -7.618 -0.939 8.827 1.00 0.00 N ATOM 0 H HIS A 82 -11.134 -4.348 7.783 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.639 -4.341 6.309 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -9.425 -4.723 9.216 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.780 -4.970 8.666 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -10.422 -2.212 8.291 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.311 -2.696 8.946 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -9.458 0.125 8.580 1.00 0.00 H new ATOM 1221 N VAL A 83 -9.191 -6.813 5.664 1.00 0.00 N ATOM 1222 CA VAL A 83 -9.024 -8.228 5.354 1.00 0.00 C ATOM 1223 C VAL A 83 -7.553 -8.586 5.188 1.00 0.00 C ATOM 1224 O VAL A 83 -6.676 -7.738 5.350 1.00 0.00 O ATOM 1225 CB VAL A 83 -9.785 -8.585 4.064 1.00 0.00 C ATOM 1226 CG1 VAL A 83 -11.270 -8.295 4.223 1.00 0.00 C ATOM 1227 CG2 VAL A 83 -9.206 -7.810 2.890 1.00 0.00 C ATOM 0 H VAL A 83 -9.409 -6.228 4.857 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.430 -8.800 6.188 1.00 0.00 H new ATOM 0 HB VAL A 83 -9.669 -9.651 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -11.792 -8.553 3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.670 -8.888 5.045 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -11.413 -7.236 4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.749 -8.067 1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.300 -6.740 3.078 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.153 -8.066 2.769 1.00 0.00 H new ATOM 1237 N THR A 84 -7.289 -9.847 4.864 1.00 0.00 N ATOM 1238 CA THR A 84 -5.922 -10.326 4.698 1.00 0.00 C ATOM 1239 C THR A 84 -5.174 -9.506 3.654 1.00 0.00 C ATOM 1240 O THR A 84 -5.560 -9.470 2.486 1.00 0.00 O ATOM 1241 CB THR A 84 -5.899 -11.814 4.300 1.00 0.00 C ATOM 1242 OG1 THR A 84 -6.580 -12.587 5.297 1.00 0.00 O ATOM 1243 CG2 THR A 84 -4.468 -12.309 4.169 1.00 0.00 C ATOM 0 H THR A 84 -8.005 -10.557 4.711 1.00 0.00 H new ATOM 0 HA THR A 84 -5.422 -10.211 5.659 1.00 0.00 H new ATOM 0 HB THR A 84 -6.400 -11.926 3.338 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.567 -13.533 5.043 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.472 -13.362 3.887 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.951 -11.730 3.403 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.953 -12.190 5.122 1.00 0.00 H new ATOM 1251 N GLY A 85 -4.102 -8.849 4.083 1.00 0.00 N ATOM 1252 CA GLY A 85 -3.222 -8.138 3.163 1.00 0.00 C ATOM 1253 C GLY A 85 -3.598 -6.664 3.069 1.00 0.00 C ATOM 1254 O GLY A 85 -2.855 -5.859 2.510 1.00 0.00 O ATOM 0 H GLY A 85 -3.821 -8.794 5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.189 -8.232 3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.279 -8.594 2.175 1.00 0.00 H new ATOM 1258 N ALA A 86 -4.757 -6.318 3.620 1.00 0.00 N ATOM 1259 CA ALA A 86 -5.303 -4.974 3.476 1.00 0.00 C ATOM 1260 C ALA A 86 -4.312 -3.923 3.956 1.00 0.00 C ATOM 1261 O ALA A 86 -3.585 -4.138 4.927 1.00 0.00 O ATOM 1262 CB ALA A 86 -6.616 -4.852 4.236 1.00 0.00 C ATOM 0 H ALA A 86 -5.337 -6.951 4.171 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.492 -4.799 2.417 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.012 -3.843 4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.333 -5.571 3.841 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.445 -5.054 5.293 1.00 0.00 H new ATOM 1268 N MET A 87 -4.286 -2.783 3.274 1.00 0.00 N ATOM 1269 CA MET A 87 -3.430 -1.672 3.667 1.00 0.00 C ATOM 1270 C MET A 87 -4.234 -0.389 3.836 1.00 0.00 C ATOM 1271 O MET A 87 -4.837 0.106 2.885 1.00 0.00 O ATOM 1272 CB MET A 87 -2.318 -1.472 2.638 1.00 0.00 C ATOM 1273 CG MET A 87 -1.360 -2.648 2.511 1.00 0.00 C ATOM 1274 SD MET A 87 -0.139 -2.411 1.204 1.00 0.00 S ATOM 1275 CE MET A 87 0.779 -1.016 1.850 1.00 0.00 C ATOM 0 H MET A 87 -4.851 -2.605 2.443 1.00 0.00 H new ATOM 0 HA MET A 87 -2.981 -1.915 4.630 1.00 0.00 H new ATOM 0 HB2 MET A 87 -2.770 -1.281 1.665 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.748 -0.582 2.905 1.00 0.00 H new ATOM 0 HG2 MET A 87 -0.846 -2.797 3.461 1.00 0.00 H new ATOM 0 HG3 MET A 87 -1.929 -3.556 2.311 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.726 -0.925 1.317 1.00 0.00 H new ATOM 0 HE2 MET A 87 0.198 -0.104 1.715 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.973 -1.169 2.912 1.00 0.00 H new ATOM 1285 N SER A 88 -4.239 0.144 5.054 1.00 0.00 N ATOM 1286 CA SER A 88 -5.051 1.312 5.375 1.00 0.00 C ATOM 1287 C SER A 88 -4.189 2.454 5.898 1.00 0.00 C ATOM 1288 O SER A 88 -3.119 2.229 6.463 1.00 0.00 O ATOM 1289 CB SER A 88 -6.103 0.948 6.404 1.00 0.00 C ATOM 1290 OG SER A 88 -5.510 0.565 7.615 1.00 0.00 O ATOM 0 H SER A 88 -3.690 -0.215 5.835 1.00 0.00 H new ATOM 0 HA SER A 88 -5.540 1.645 4.460 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.763 1.799 6.571 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.722 0.135 6.025 1.00 0.00 H new ATOM 0 HG SER A 88 -6.122 -0.021 8.108 1.00 0.00 H new ATOM 1296 N MET A 89 -4.663 3.681 5.705 1.00 0.00 N ATOM 1297 CA MET A 89 -4.013 4.851 6.282 1.00 0.00 C ATOM 1298 C MET A 89 -4.576 5.169 7.662 1.00 0.00 C ATOM 1299 O MET A 89 -5.791 5.171 7.862 1.00 0.00 O ATOM 1300 CB MET A 89 -4.170 6.053 5.353 1.00 0.00 C ATOM 1301 CG MET A 89 -3.410 7.296 5.798 1.00 0.00 C ATOM 1302 SD MET A 89 -1.622 7.059 5.785 1.00 0.00 S ATOM 1303 CE MET A 89 -1.319 6.864 4.031 1.00 0.00 C ATOM 0 H MET A 89 -5.495 3.890 5.153 1.00 0.00 H new ATOM 0 HA MET A 89 -2.952 4.628 6.396 1.00 0.00 H new ATOM 0 HB2 MET A 89 -3.831 5.773 4.356 1.00 0.00 H new ATOM 0 HB3 MET A 89 -5.229 6.299 5.273 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.667 8.128 5.143 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.729 7.572 6.803 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.265 7.045 3.822 1.00 0.00 H new ATOM 0 HE2 MET A 89 -1.580 5.850 3.727 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.927 7.578 3.475 1.00 0.00 H new ATOM 1313 N ALA A 90 -3.686 5.437 8.611 1.00 0.00 N ATOM 1314 CA ALA A 90 -4.090 5.706 9.986 1.00 0.00 C ATOM 1315 C ALA A 90 -4.952 6.959 10.072 1.00 0.00 C ATOM 1316 O ALA A 90 -4.531 8.042 9.664 1.00 0.00 O ATOM 1317 CB ALA A 90 -2.867 5.843 10.881 1.00 0.00 C ATOM 0 H ALA A 90 -2.679 5.474 8.453 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.687 4.862 10.332 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.185 6.044 11.904 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.292 4.918 10.855 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.247 6.666 10.526 1.00 0.00 H new ATOM 1323 N HIS A 91 -6.158 6.806 10.606 1.00 0.00 N ATOM 1324 CA HIS A 91 -7.033 7.944 10.863 1.00 0.00 C ATOM 1325 C HIS A 91 -7.666 7.851 12.246 1.00 0.00 C ATOM 1326 O HIS A 91 -7.932 6.757 12.744 1.00 0.00 O ATOM 1327 CB HIS A 91 -8.131 8.036 9.799 1.00 0.00 C ATOM 1328 CG HIS A 91 -7.610 8.299 8.419 1.00 0.00 C ATOM 1329 ND1 HIS A 91 -7.514 7.494 7.335 1.00 0.00 N flip ATOM 1330 CD2 HIS A 91 -7.108 9.525 8.035 1.00 0.00 C flip ATOM 1331 CE1 HIS A 91 -6.961 8.242 6.324 1.00 0.00 C flip ATOM 1332 NE2 HIS A 91 -6.725 9.462 6.771 1.00 0.00 N flip ATOM 0 H HIS A 91 -6.553 5.903 10.870 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.420 8.844 10.821 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -8.698 7.105 9.793 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -8.825 8.830 10.073 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -7.799 6.516 7.279 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.039 10.398 8.667 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -6.753 7.889 5.325 1.00 0.00 H new ATOM 1339 N ARG A 92 -7.904 9.004 12.861 1.00 0.00 N ATOM 1340 CA ARG A 92 -8.642 9.064 14.117 1.00 0.00 C ATOM 1341 C ARG A 92 -9.901 9.908 13.976 1.00 0.00 C ATOM 1342 O ARG A 92 -10.742 9.942 14.875 1.00 0.00 O ATOM 1343 CB ARG A 92 -7.770 9.640 15.223 1.00 0.00 C ATOM 1344 CG ARG A 92 -6.555 8.800 15.582 1.00 0.00 C ATOM 1345 CD ARG A 92 -5.772 9.410 16.688 1.00 0.00 C ATOM 1346 NE ARG A 92 -4.625 8.595 17.054 1.00 0.00 N ATOM 1347 CZ ARG A 92 -3.454 8.579 16.388 1.00 0.00 C ATOM 1348 NH1 ARG A 92 -3.293 9.336 15.326 1.00 0.00 N ATOM 1349 NH2 ARG A 92 -2.469 7.801 16.803 1.00 0.00 N ATOM 0 H ARG A 92 -7.596 9.911 12.510 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.930 8.045 14.377 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.432 10.631 14.920 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.380 9.770 16.117 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -6.877 7.800 15.873 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -5.918 8.687 14.704 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.432 10.401 16.388 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -6.415 9.543 17.558 1.00 0.00 H new ATOM 0 HE ARG A 92 -4.713 7.993 17.873 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.054 9.935 15.007 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -2.407 9.325 14.821 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.596 7.213 17.627 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -1.582 7.788 16.299 1.00 0.00 H new ATOM 1363 N GLY A 93 -10.027 10.590 12.843 1.00 0.00 N ATOM 1364 CA GLY A 93 -11.189 11.431 12.578 1.00 0.00 C ATOM 1365 C GLY A 93 -10.912 12.414 11.448 1.00 0.00 C ATOM 1366 O GLY A 93 -10.329 12.050 10.426 1.00 0.00 O ATOM 0 H GLY A 93 -9.337 10.577 12.092 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.042 10.805 12.318 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -11.459 11.978 13.481 1.00 0.00 H new ATOM 1370 N ARG A 94 -11.334 13.659 11.636 1.00 0.00 N ATOM 1371 CA ARG A 94 -11.154 14.690 10.621 1.00 0.00 C ATOM 1372 C ARG A 94 -9.758 15.297 10.696 1.00 0.00 C ATOM 1373 O ARG A 94 -9.296 15.687 11.768 1.00 0.00 O ATOM 1374 CB ARG A 94 -12.190 15.791 10.788 1.00 0.00 C ATOM 1375 CG ARG A 94 -12.141 16.882 9.728 1.00 0.00 C ATOM 1376 CD ARG A 94 -13.309 17.794 9.825 1.00 0.00 C ATOM 1377 NE ARG A 94 -13.272 18.831 8.807 1.00 0.00 N ATOM 1378 CZ ARG A 94 -12.633 20.011 8.939 1.00 0.00 C ATOM 1379 NH1 ARG A 94 -11.986 20.287 10.050 1.00 0.00 N ATOM 1380 NH2 ARG A 94 -12.659 20.890 7.953 1.00 0.00 N ATOM 0 H ARG A 94 -11.804 13.979 12.483 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.281 14.217 9.647 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.182 15.340 10.779 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.057 16.250 11.768 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -11.221 17.456 9.839 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -12.116 16.427 8.738 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -14.229 17.218 9.724 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -13.329 18.255 10.813 1.00 0.00 H new ATOM 0 HE ARG A 94 -13.764 18.654 7.931 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.968 19.609 10.811 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.502 21.179 10.150 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -13.162 20.676 7.092 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.176 21.783 8.053 1.00 0.00 H new ATOM 1394 N ASP A 95 -9.090 15.373 9.550 1.00 0.00 N ATOM 1395 CA ASP A 95 -7.746 15.935 9.482 1.00 0.00 C ATOM 1396 C ASP A 95 -6.797 15.208 10.427 1.00 0.00 C ATOM 1397 O ASP A 95 -6.082 15.836 11.208 1.00 0.00 O ATOM 1398 CB ASP A 95 -7.770 17.427 9.821 1.00 0.00 C ATOM 1399 CG ASP A 95 -8.491 18.261 8.771 1.00 0.00 C ATOM 1400 OD1 ASP A 95 -8.195 18.104 7.610 1.00 0.00 O ATOM 1401 OD2 ASP A 95 -9.331 19.048 9.139 1.00 0.00 O ATOM 0 H ASP A 95 -9.458 15.052 8.654 1.00 0.00 H new ATOM 0 HA ASP A 95 -7.385 15.806 8.462 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -8.256 17.567 10.786 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -6.747 17.788 9.924 1.00 0.00 H new ATOM 1406 N THR A 96 -6.796 13.882 10.353 1.00 0.00 N ATOM 1407 CA THR A 96 -5.928 13.068 11.195 1.00 0.00 C ATOM 1408 C THR A 96 -5.010 12.190 10.353 1.00 0.00 C ATOM 1409 O THR A 96 -4.140 11.498 10.882 1.00 0.00 O ATOM 1410 CB THR A 96 -6.751 12.188 12.152 1.00 0.00 C ATOM 1411 OG1 THR A 96 -7.655 11.372 11.397 1.00 0.00 O ATOM 1412 CG2 THR A 96 -7.542 13.050 13.123 1.00 0.00 C ATOM 0 H THR A 96 -7.388 13.347 9.717 1.00 0.00 H new ATOM 0 HA THR A 96 -5.316 13.751 11.784 1.00 0.00 H new ATOM 0 HB THR A 96 -6.067 11.556 12.718 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.405 11.919 11.083 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.118 12.410 13.792 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.856 13.662 13.708 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.220 13.696 12.566 1.00 0.00 H new ATOM 1420 N GLY A 97 -5.210 12.222 9.040 1.00 0.00 N ATOM 1421 CA GLY A 97 -4.399 11.430 8.122 1.00 0.00 C ATOM 1422 C GLY A 97 -2.949 11.894 8.128 1.00 0.00 C ATOM 1423 O GLY A 97 -2.656 13.040 8.469 1.00 0.00 O ATOM 0 H GLY A 97 -5.927 12.788 8.587 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.448 10.378 8.404 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.805 11.509 7.113 1.00 0.00 H new ATOM 1427 N SER A 98 -2.045 10.999 7.746 1.00 0.00 N ATOM 1428 CA SER A 98 -0.623 11.318 7.698 1.00 0.00 C ATOM 1429 C SER A 98 0.097 10.472 6.656 1.00 0.00 C ATOM 1430 O SER A 98 -0.321 10.404 5.500 1.00 0.00 O ATOM 1431 CB SER A 98 0.007 11.102 9.061 1.00 0.00 C ATOM 1432 OG SER A 98 0.024 9.741 9.396 1.00 0.00 O ATOM 0 H SER A 98 -2.272 10.045 7.465 1.00 0.00 H new ATOM 0 HA SER A 98 -0.523 12.366 7.415 1.00 0.00 H new ATOM 0 HB2 SER A 98 1.024 11.493 9.062 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.549 11.659 9.815 1.00 0.00 H new ATOM 0 HG SER A 98 0.436 9.626 10.278 1.00 0.00 H new ATOM 1438 N CYS A 99 1.182 9.826 7.072 1.00 0.00 N ATOM 1439 CA CYS A 99 1.893 8.888 6.211 1.00 0.00 C ATOM 1440 C CYS A 99 1.986 7.512 6.856 1.00 0.00 C ATOM 1441 O CYS A 99 2.522 6.574 6.264 1.00 0.00 O ATOM 1442 CB CYS A 99 3.301 9.399 5.906 1.00 0.00 C ATOM 1443 SG CYS A 99 4.395 9.452 7.346 1.00 0.00 S ATOM 0 H CYS A 99 1.588 9.935 8.001 1.00 0.00 H new ATOM 0 HA CYS A 99 1.329 8.804 5.282 1.00 0.00 H new ATOM 0 HB2 CYS A 99 3.750 8.761 5.145 1.00 0.00 H new ATOM 0 HB3 CYS A 99 3.229 10.400 5.481 1.00 0.00 H new ATOM 0 HG CYS A 99 4.980 8.300 7.489 1.00 0.00 H new ATOM 1449 N GLN A 100 1.462 7.396 8.071 1.00 0.00 N ATOM 1450 CA GLN A 100 1.452 6.123 8.783 1.00 0.00 C ATOM 1451 C GLN A 100 0.394 5.184 8.219 1.00 0.00 C ATOM 1452 O GLN A 100 -0.785 5.530 8.153 1.00 0.00 O ATOM 1453 CB GLN A 100 1.208 6.348 10.278 1.00 0.00 C ATOM 1454 CG GLN A 100 2.337 7.073 10.990 1.00 0.00 C ATOM 1455 CD GLN A 100 2.027 7.328 12.453 1.00 0.00 C ATOM 1456 OE1 GLN A 100 0.953 6.973 12.947 1.00 0.00 O ATOM 1457 NE2 GLN A 100 2.968 7.948 13.157 1.00 0.00 N ATOM 0 H GLN A 100 1.038 8.169 8.584 1.00 0.00 H new ATOM 0 HA GLN A 100 2.429 5.658 8.647 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.288 6.920 10.403 1.00 0.00 H new ATOM 0 HB3 GLN A 100 1.051 5.382 10.759 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.250 6.483 10.912 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.527 8.023 10.491 1.00 0.00 H new ATOM 0 HE21 GLN A 100 3.842 8.224 12.709 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.817 8.148 14.146 1.00 0.00 H new ATOM 1466 N PHE A 101 0.823 3.995 7.811 1.00 0.00 N ATOM 1467 CA PHE A 101 -0.061 3.052 7.136 1.00 0.00 C ATOM 1468 C PHE A 101 0.060 1.656 7.736 1.00 0.00 C ATOM 1469 O PHE A 101 1.038 1.346 8.416 1.00 0.00 O ATOM 1470 CB PHE A 101 0.258 2.999 5.641 1.00 0.00 C ATOM 1471 CG PHE A 101 1.597 2.393 5.327 1.00 0.00 C ATOM 1472 CD1 PHE A 101 2.741 3.176 5.309 1.00 0.00 C ATOM 1473 CD2 PHE A 101 1.714 1.039 5.050 1.00 0.00 C ATOM 1474 CE1 PHE A 101 3.973 2.621 5.020 1.00 0.00 C ATOM 1475 CE2 PHE A 101 2.945 0.482 4.761 1.00 0.00 C ATOM 1476 CZ PHE A 101 4.075 1.272 4.746 1.00 0.00 C ATOM 0 H PHE A 101 1.779 3.661 7.936 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.085 3.400 7.274 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.518 2.425 5.134 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.223 4.010 5.236 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.668 4.232 5.523 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.834 0.413 5.060 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.856 3.243 5.009 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.022 -0.574 4.547 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.037 0.836 4.520 1.00 0.00 H new ATOM 1486 N PHE A 102 -0.939 0.819 7.479 1.00 0.00 N ATOM 1487 CA PHE A 102 -0.992 -0.514 8.069 1.00 0.00 C ATOM 1488 C PHE A 102 -0.770 -1.591 7.016 1.00 0.00 C ATOM 1489 O PHE A 102 -1.046 -1.385 5.834 1.00 0.00 O ATOM 1490 CB PHE A 102 -2.339 -0.738 8.759 1.00 0.00 C ATOM 1491 CG PHE A 102 -2.563 0.143 9.954 1.00 0.00 C ATOM 1492 CD1 PHE A 102 -2.117 -0.238 11.210 1.00 0.00 C ATOM 1493 CD2 PHE A 102 -3.219 1.358 9.824 1.00 0.00 C ATOM 1494 CE1 PHE A 102 -2.323 0.571 12.310 1.00 0.00 C ATOM 1495 CE2 PHE A 102 -3.426 2.172 10.923 1.00 0.00 C ATOM 1496 CZ PHE A 102 -2.978 1.778 12.166 1.00 0.00 C ATOM 0 H PHE A 102 -1.724 1.040 6.866 1.00 0.00 H new ATOM 0 HA PHE A 102 -0.193 -0.583 8.807 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -3.139 -0.567 8.038 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -2.408 -1.780 9.070 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -1.602 -1.180 11.330 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -3.572 1.672 8.853 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -1.972 0.260 13.283 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -3.938 3.116 10.807 1.00 0.00 H new ATOM 0 HZ PHE A 102 -3.139 2.412 13.025 1.00 0.00 H new ATOM 1506 N ILE A 103 -0.268 -2.742 7.451 1.00 0.00 N ATOM 1507 CA ILE A 103 -0.339 -3.959 6.652 1.00 0.00 C ATOM 1508 C ILE A 103 -0.981 -5.096 7.437 1.00 0.00 C ATOM 1509 O ILE A 103 -0.407 -5.600 8.402 1.00 0.00 O ATOM 1510 CB ILE A 103 1.062 -4.389 6.180 1.00 0.00 C ATOM 1511 CG1 ILE A 103 1.691 -3.295 5.313 1.00 0.00 C ATOM 1512 CG2 ILE A 103 0.986 -5.702 5.416 1.00 0.00 C ATOM 1513 CD1 ILE A 103 3.100 -3.608 4.865 1.00 0.00 C ATOM 0 H ILE A 103 0.193 -2.857 8.354 1.00 0.00 H new ATOM 0 HA ILE A 103 -0.957 -3.740 5.781 1.00 0.00 H new ATOM 0 HB ILE A 103 1.693 -4.539 7.056 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.067 -3.137 4.434 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.697 -2.359 5.872 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.985 -5.991 5.090 1.00 0.00 H new ATOM 0 HG22 ILE A 103 0.577 -6.477 6.064 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.341 -5.580 4.546 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.479 -2.788 4.255 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.739 -3.736 5.738 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.100 -4.526 4.278 1.00 0.00 H new ATOM 1525 N VAL A 104 -2.178 -5.495 7.018 1.00 0.00 N ATOM 1526 CA VAL A 104 -2.965 -6.469 7.765 1.00 0.00 C ATOM 1527 C VAL A 104 -2.518 -7.892 7.454 1.00 0.00 C ATOM 1528 O VAL A 104 -2.596 -8.343 6.311 1.00 0.00 O ATOM 1529 CB VAL A 104 -4.460 -6.320 7.427 1.00 0.00 C ATOM 1530 CG1 VAL A 104 -5.277 -7.388 8.138 1.00 0.00 C ATOM 1531 CG2 VAL A 104 -4.941 -4.928 7.811 1.00 0.00 C ATOM 0 H VAL A 104 -2.624 -5.158 6.165 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.809 -6.277 8.827 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.594 -6.452 6.353 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -6.331 -7.267 7.887 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.940 -8.375 7.821 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.147 -7.288 9.216 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -5.999 -4.829 7.569 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.797 -4.776 8.881 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.371 -4.181 7.258 1.00 0.00 H new ATOM 1541 N HIS A 105 -2.049 -8.596 8.479 1.00 0.00 N ATOM 1542 CA HIS A 105 -1.717 -10.010 8.350 1.00 0.00 C ATOM 1543 C HIS A 105 -2.967 -10.878 8.430 1.00 0.00 C ATOM 1544 O HIS A 105 -3.267 -11.636 7.507 1.00 0.00 O ATOM 1545 CB HIS A 105 -0.724 -10.435 9.437 1.00 0.00 C ATOM 1546 CG HIS A 105 -0.292 -11.864 9.332 1.00 0.00 C ATOM 1547 ND1 HIS A 105 0.233 -12.563 10.398 1.00 0.00 N ATOM 1548 CD2 HIS A 105 -0.307 -12.726 8.288 1.00 0.00 C ATOM 1549 CE1 HIS A 105 0.522 -13.794 10.014 1.00 0.00 C ATOM 1550 NE2 HIS A 105 0.204 -13.918 8.739 1.00 0.00 N ATOM 0 H HIS A 105 -1.890 -8.210 9.409 1.00 0.00 H new ATOM 0 HA HIS A 105 -1.257 -10.151 7.372 1.00 0.00 H new ATOM 0 HB2 HIS A 105 0.156 -9.794 9.384 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -1.178 -10.273 10.415 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -0.656 -12.515 7.288 1.00 0.00 H new ATOM 0 HE1 HIS A 105 0.946 -14.567 10.637 1.00 0.00 H new ATOM 0 HE2 HIS A 105 0.319 -14.763 8.179 1.00 0.00 H new ATOM 1557 N GLU A 106 -3.692 -10.763 9.536 1.00 0.00 N ATOM 1558 CA GLU A 106 -4.943 -11.491 9.712 1.00 0.00 C ATOM 1559 C GLU A 106 -6.134 -10.542 9.733 1.00 0.00 C ATOM 1560 O GLU A 106 -6.043 -9.426 10.244 1.00 0.00 O ATOM 1561 CB GLU A 106 -4.908 -12.307 11.005 1.00 0.00 C ATOM 1562 CG GLU A 106 -3.841 -13.393 11.035 1.00 0.00 C ATOM 1563 CD GLU A 106 -4.030 -14.428 9.961 1.00 0.00 C ATOM 1564 OE1 GLU A 106 -5.111 -14.955 9.854 1.00 0.00 O ATOM 1565 OE2 GLU A 106 -3.091 -14.692 9.247 1.00 0.00 O ATOM 0 H GLU A 106 -3.435 -10.171 10.326 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.056 -12.167 8.864 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -4.744 -11.630 11.843 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.884 -12.769 11.155 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.859 -12.934 10.921 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.854 -13.881 12.009 1.00 0.00 H new ATOM 1572 N PRO A 107 -7.252 -10.992 9.172 1.00 0.00 N ATOM 1573 CA PRO A 107 -8.441 -10.156 9.054 1.00 0.00 C ATOM 1574 C PRO A 107 -8.863 -9.603 10.409 1.00 0.00 C ATOM 1575 O PRO A 107 -8.861 -10.319 11.411 1.00 0.00 O ATOM 1576 CB PRO A 107 -9.486 -11.122 8.488 1.00 0.00 C ATOM 1577 CG PRO A 107 -8.691 -12.089 7.680 1.00 0.00 C ATOM 1578 CD PRO A 107 -7.430 -12.296 8.477 1.00 0.00 C ATOM 0 HA PRO A 107 -8.291 -9.278 8.426 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -10.035 -11.625 9.284 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -10.220 -10.600 7.875 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -9.230 -13.026 7.538 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -8.474 -11.693 6.688 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -7.531 -13.119 9.184 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.581 -12.530 7.835 1.00 0.00 H new ATOM 1586 N GLN A 108 -9.224 -8.324 10.435 1.00 0.00 N ATOM 1587 CA GLN A 108 -9.705 -7.688 11.655 1.00 0.00 C ATOM 1588 C GLN A 108 -11.048 -7.007 11.429 1.00 0.00 C ATOM 1589 O GLN A 108 -11.105 -5.833 11.063 1.00 0.00 O ATOM 1590 CB GLN A 108 -8.682 -6.671 12.168 1.00 0.00 C ATOM 1591 CG GLN A 108 -7.286 -7.237 12.365 1.00 0.00 C ATOM 1592 CD GLN A 108 -7.249 -8.337 13.409 1.00 0.00 C ATOM 1593 OE1 GLN A 108 -7.796 -8.190 14.505 1.00 0.00 O ATOM 1594 NE2 GLN A 108 -6.602 -9.448 13.073 1.00 0.00 N ATOM 0 H GLN A 108 -9.192 -7.707 9.623 1.00 0.00 H new ATOM 0 HA GLN A 108 -9.839 -8.467 12.405 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -8.629 -5.840 11.465 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -9.034 -6.265 13.116 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -6.918 -7.628 11.416 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -6.610 -6.435 12.662 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -6.164 -9.525 12.155 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -6.543 -10.223 13.733 1.00 0.00 H new ATOM 1603 N PRO A 109 -12.127 -7.750 11.648 1.00 0.00 N ATOM 1604 CA PRO A 109 -13.472 -7.234 11.422 1.00 0.00 C ATOM 1605 C PRO A 109 -13.717 -5.963 12.225 1.00 0.00 C ATOM 1606 O PRO A 109 -14.469 -5.086 11.802 1.00 0.00 O ATOM 1607 CB PRO A 109 -14.367 -8.384 11.896 1.00 0.00 C ATOM 1608 CG PRO A 109 -13.544 -9.606 11.668 1.00 0.00 C ATOM 1609 CD PRO A 109 -12.142 -9.184 12.017 1.00 0.00 C ATOM 0 HA PRO A 109 -13.658 -6.952 10.386 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -14.634 -8.274 12.947 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -15.299 -8.421 11.333 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -13.878 -10.433 12.295 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -13.612 -9.943 10.634 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -11.927 -9.331 13.076 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -11.398 -9.753 11.459 1.00 0.00 H new ATOM 1617 N HIS A 110 -13.077 -5.871 13.386 1.00 0.00 N ATOM 1618 CA HIS A 110 -13.325 -4.773 14.311 1.00 0.00 C ATOM 1619 C HIS A 110 -12.650 -3.491 13.840 1.00 0.00 C ATOM 1620 O HIS A 110 -12.890 -2.414 14.385 1.00 0.00 O ATOM 1621 CB HIS A 110 -12.831 -5.129 15.718 1.00 0.00 C ATOM 1622 CG HIS A 110 -11.361 -5.405 15.788 1.00 0.00 C ATOM 1623 ND1 HIS A 110 -10.440 -4.445 16.151 1.00 0.00 N ATOM 1624 CD2 HIS A 110 -10.654 -6.532 15.540 1.00 0.00 C ATOM 1625 CE1 HIS A 110 -9.228 -4.971 16.125 1.00 0.00 C ATOM 1626 NE2 HIS A 110 -9.330 -6.235 15.757 1.00 0.00 N ATOM 0 H HIS A 110 -12.382 -6.545 13.708 1.00 0.00 H new ATOM 0 HA HIS A 110 -14.402 -4.607 14.341 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -13.070 -4.310 16.396 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -13.374 -6.005 16.073 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -11.055 -7.486 15.230 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -8.310 -4.455 16.364 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -8.552 -6.886 15.651 1.00 0.00 H new ATOM 1633 N LEU A 111 -11.804 -3.614 12.823 1.00 0.00 N ATOM 1634 CA LEU A 111 -11.158 -2.455 12.219 1.00 0.00 C ATOM 1635 C LEU A 111 -11.882 -2.019 10.951 1.00 0.00 C ATOM 1636 O LEU A 111 -11.501 -1.038 10.313 1.00 0.00 O ATOM 1637 CB LEU A 111 -9.693 -2.772 11.895 1.00 0.00 C ATOM 1638 CG LEU A 111 -8.790 -3.052 13.103 1.00 0.00 C ATOM 1639 CD1 LEU A 111 -7.373 -3.336 12.624 1.00 0.00 C ATOM 1640 CD2 LEU A 111 -8.821 -1.861 14.048 1.00 0.00 C ATOM 0 H LEU A 111 -11.549 -4.506 12.399 1.00 0.00 H new ATOM 0 HA LEU A 111 -11.200 -1.637 12.938 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.665 -3.639 11.235 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.274 -1.934 11.338 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.151 -3.927 13.643 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.732 -3.535 13.483 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.379 -4.205 11.966 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -6.993 -2.472 12.080 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.179 -2.061 14.906 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.464 -0.973 13.526 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.842 -1.694 14.390 1.00 0.00 H new ATOM 1652 N ASP A 112 -12.929 -2.755 10.591 1.00 0.00 N ATOM 1653 CA ASP A 112 -13.701 -2.453 9.392 1.00 0.00 C ATOM 1654 C ASP A 112 -14.364 -1.086 9.493 1.00 0.00 C ATOM 1655 O ASP A 112 -15.312 -0.900 10.257 1.00 0.00 O ATOM 1656 CB ASP A 112 -14.765 -3.527 9.155 1.00 0.00 C ATOM 1657 CG ASP A 112 -15.551 -3.309 7.868 1.00 0.00 C ATOM 1658 OD1 ASP A 112 -15.373 -2.285 7.254 1.00 0.00 O ATOM 1659 OD2 ASP A 112 -16.320 -4.170 7.514 1.00 0.00 O ATOM 0 H ASP A 112 -13.262 -3.565 11.113 1.00 0.00 H new ATOM 0 HA ASP A 112 -13.010 -2.440 8.549 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -14.285 -4.505 9.121 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -15.455 -3.540 9.999 1.00 0.00 H new ATOM 1664 N GLY A 113 -13.862 -0.131 8.719 1.00 0.00 N ATOM 1665 CA GLY A 113 -14.444 1.205 8.674 1.00 0.00 C ATOM 1666 C GLY A 113 -13.735 2.148 9.637 1.00 0.00 C ATOM 1667 O GLY A 113 -14.024 3.344 9.676 1.00 0.00 O ATOM 0 H GLY A 113 -13.051 -0.257 8.113 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -14.378 1.599 7.660 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -15.503 1.152 8.927 1.00 0.00 H new ATOM 1671 N VAL A 114 -12.806 1.603 10.414 1.00 0.00 N ATOM 1672 CA VAL A 114 -12.066 2.390 11.393 1.00 0.00 C ATOM 1673 C VAL A 114 -10.993 3.236 10.721 1.00 0.00 C ATOM 1674 O VAL A 114 -10.885 4.436 10.975 1.00 0.00 O ATOM 1675 CB VAL A 114 -11.410 1.467 12.437 1.00 0.00 C ATOM 1676 CG1 VAL A 114 -10.492 2.265 13.351 1.00 0.00 C ATOM 1677 CG2 VAL A 114 -12.483 0.749 13.241 1.00 0.00 C ATOM 0 H VAL A 114 -12.547 0.617 10.385 1.00 0.00 H new ATOM 0 HA VAL A 114 -12.775 3.054 11.888 1.00 0.00 H new ATOM 0 HB VAL A 114 -10.806 0.721 11.920 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -10.037 1.597 14.083 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -9.711 2.740 12.757 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -11.070 3.031 13.869 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -12.011 0.098 13.977 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -13.107 1.483 13.752 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -13.101 0.151 12.571 1.00 0.00 H new ATOM 1687 N HIS A 115 -10.198 2.604 9.863 1.00 0.00 N ATOM 1688 CA HIS A 115 -9.221 3.321 9.053 1.00 0.00 C ATOM 1689 C HIS A 115 -9.580 3.260 7.574 1.00 0.00 C ATOM 1690 O HIS A 115 -10.493 2.536 7.177 1.00 0.00 O ATOM 1691 CB HIS A 115 -7.817 2.747 9.267 1.00 0.00 C ATOM 1692 CG HIS A 115 -7.336 2.844 10.683 1.00 0.00 C ATOM 1693 ND1 HIS A 115 -6.953 4.037 11.259 1.00 0.00 N ATOM 1694 CD2 HIS A 115 -7.177 1.896 11.636 1.00 0.00 C ATOM 1695 CE1 HIS A 115 -6.579 3.819 12.508 1.00 0.00 C ATOM 1696 NE2 HIS A 115 -6.706 2.529 12.760 1.00 0.00 N ATOM 0 H HIS A 115 -10.212 1.595 9.711 1.00 0.00 H new ATOM 0 HA HIS A 115 -9.233 4.364 9.370 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.811 1.701 8.962 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -7.116 3.272 8.618 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -7.382 0.841 11.532 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -6.229 4.568 13.203 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -6.489 2.075 13.647 1.00 0.00 H new ATOM 1703 N THR A 116 -8.857 4.025 6.763 1.00 0.00 N ATOM 1704 CA THR A 116 -9.128 4.095 5.333 1.00 0.00 C ATOM 1705 C THR A 116 -8.253 3.119 4.557 1.00 0.00 C ATOM 1706 O THR A 116 -7.122 3.439 4.192 1.00 0.00 O ATOM 1707 CB THR A 116 -8.911 5.523 4.797 1.00 0.00 C ATOM 1708 OG1 THR A 116 -9.880 6.405 5.377 1.00 0.00 O ATOM 1709 CG2 THR A 116 -9.048 5.550 3.283 1.00 0.00 C ATOM 0 H THR A 116 -8.078 4.606 7.073 1.00 0.00 H new ATOM 0 HA THR A 116 -10.173 3.819 5.189 1.00 0.00 H new ATOM 0 HB THR A 116 -7.906 5.848 5.066 1.00 0.00 H new ATOM 0 HG1 THR A 116 -10.747 6.273 4.939 1.00 0.00 H new ATOM 0 HG21 THR A 116 -8.892 6.566 2.922 1.00 0.00 H new ATOM 0 HG22 THR A 116 -8.304 4.888 2.839 1.00 0.00 H new ATOM 0 HG23 THR A 116 -10.046 5.215 3.002 1.00 0.00 H new ATOM 1717 N VAL A 117 -8.783 1.927 4.307 1.00 0.00 N ATOM 1718 CA VAL A 117 -8.135 0.971 3.416 1.00 0.00 C ATOM 1719 C VAL A 117 -8.039 1.518 1.998 1.00 0.00 C ATOM 1720 O VAL A 117 -9.053 1.832 1.374 1.00 0.00 O ATOM 1721 CB VAL A 117 -8.915 -0.358 3.400 1.00 0.00 C ATOM 1722 CG1 VAL A 117 -8.298 -1.324 2.399 1.00 0.00 C ATOM 1723 CG2 VAL A 117 -8.933 -0.964 4.794 1.00 0.00 C ATOM 0 H VAL A 117 -9.661 1.599 4.709 1.00 0.00 H new ATOM 0 HA VAL A 117 -7.127 0.798 3.792 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.942 -0.163 3.092 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.861 -2.258 2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -8.328 -0.884 1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.263 -1.524 2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.486 -1.903 4.775 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.911 -1.151 5.123 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.415 -0.273 5.485 1.00 0.00 H new ATOM 1733 N PHE A 118 -6.815 1.629 1.494 1.00 0.00 N ATOM 1734 CA PHE A 118 -6.572 2.270 0.207 1.00 0.00 C ATOM 1735 C PHE A 118 -5.794 1.352 -0.727 1.00 0.00 C ATOM 1736 O PHE A 118 -5.722 1.594 -1.932 1.00 0.00 O ATOM 1737 CB PHE A 118 -5.804 3.580 0.399 1.00 0.00 C ATOM 1738 CG PHE A 118 -4.400 3.391 0.896 1.00 0.00 C ATOM 1739 CD1 PHE A 118 -4.133 3.319 2.256 1.00 0.00 C ATOM 1740 CD2 PHE A 118 -3.341 3.286 0.006 1.00 0.00 C ATOM 1741 CE1 PHE A 118 -2.842 3.147 2.715 1.00 0.00 C ATOM 1742 CE2 PHE A 118 -2.048 3.113 0.463 1.00 0.00 C ATOM 1743 CZ PHE A 118 -1.799 3.044 1.817 1.00 0.00 C ATOM 0 H PHE A 118 -5.975 1.283 1.958 1.00 0.00 H new ATOM 0 HA PHE A 118 -7.541 2.483 -0.245 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -5.775 4.116 -0.550 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -6.348 4.209 1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -4.945 3.398 2.964 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -3.529 3.340 -1.056 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -2.649 3.093 3.776 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -1.233 3.032 -0.241 1.00 0.00 H new ATOM 0 HZ PHE A 118 -0.789 2.909 2.175 1.00 0.00 H new ATOM 1753 N GLY A 119 -5.214 0.298 -0.164 1.00 0.00 N ATOM 1754 CA GLY A 119 -4.460 -0.672 -0.950 1.00 0.00 C ATOM 1755 C GLY A 119 -4.543 -2.063 -0.336 1.00 0.00 C ATOM 1756 O GLY A 119 -5.227 -2.269 0.668 1.00 0.00 O ATOM 0 H GLY A 119 -5.251 0.093 0.835 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -4.847 -0.698 -1.969 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -3.417 -0.361 -1.013 1.00 0.00 H new ATOM 1760 N GLN A 120 -3.845 -3.015 -0.944 1.00 0.00 N ATOM 1761 CA GLN A 120 -3.788 -4.375 -0.422 1.00 0.00 C ATOM 1762 C GLN A 120 -2.572 -5.121 -0.957 1.00 0.00 C ATOM 1763 O GLN A 120 -2.324 -5.139 -2.162 1.00 0.00 O ATOM 1764 CB GLN A 120 -5.066 -5.140 -0.775 1.00 0.00 C ATOM 1765 CG GLN A 120 -5.139 -6.538 -0.185 1.00 0.00 C ATOM 1766 CD GLN A 120 -6.388 -7.283 -0.614 1.00 0.00 C ATOM 1767 OE1 GLN A 120 -7.090 -6.865 -1.540 1.00 0.00 O ATOM 1768 NE2 GLN A 120 -6.672 -8.394 0.055 1.00 0.00 N ATOM 0 H GLN A 120 -3.310 -2.870 -1.800 1.00 0.00 H new ATOM 0 HA GLN A 120 -3.700 -4.310 0.663 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -5.926 -4.567 -0.429 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -5.145 -5.211 -1.860 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -4.259 -7.104 -0.490 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -5.114 -6.472 0.903 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -6.064 -8.702 0.813 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -7.499 -8.939 -0.189 1.00 0.00 H new ATOM 1777 N VAL A 121 -1.815 -5.734 -0.054 1.00 0.00 N ATOM 1778 CA VAL A 121 -0.670 -6.550 -0.440 1.00 0.00 C ATOM 1779 C VAL A 121 -1.101 -7.739 -1.288 1.00 0.00 C ATOM 1780 O VAL A 121 -2.069 -8.428 -0.963 1.00 0.00 O ATOM 1781 CB VAL A 121 0.072 -7.058 0.811 1.00 0.00 C ATOM 1782 CG1 VAL A 121 1.176 -8.027 0.419 1.00 0.00 C ATOM 1783 CG2 VAL A 121 0.638 -5.880 1.590 1.00 0.00 C ATOM 0 H VAL A 121 -1.974 -5.681 0.952 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.002 -5.923 -1.031 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.633 -7.591 1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.689 -8.376 1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.743 -8.879 -0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.888 -7.522 -0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.161 -6.246 2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.334 -5.327 0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.175 -5.222 1.897 1.00 0.00 H new ATOM 1793 N THR A 122 -0.378 -7.976 -2.377 1.00 0.00 N ATOM 1794 CA THR A 122 -0.733 -9.034 -3.317 1.00 0.00 C ATOM 1795 C THR A 122 0.288 -10.164 -3.285 1.00 0.00 C ATOM 1796 O THR A 122 -0.017 -11.299 -3.651 1.00 0.00 O ATOM 1797 CB THR A 122 -0.849 -8.484 -4.751 1.00 0.00 C ATOM 1798 OG1 THR A 122 0.418 -7.961 -5.170 1.00 0.00 O ATOM 1799 CG2 THR A 122 -1.896 -7.381 -4.815 1.00 0.00 C ATOM 0 H THR A 122 0.458 -7.450 -2.631 1.00 0.00 H new ATOM 0 HA THR A 122 -1.702 -9.427 -3.010 1.00 0.00 H new ATOM 0 HB THR A 122 -1.150 -9.296 -5.413 1.00 0.00 H new ATOM 0 HG1 THR A 122 0.342 -7.613 -6.083 1.00 0.00 H new ATOM 0 HG21 THR A 122 -1.965 -7.004 -5.835 1.00 0.00 H new ATOM 0 HG22 THR A 122 -2.863 -7.779 -4.509 1.00 0.00 H new ATOM 0 HG23 THR A 122 -1.610 -6.569 -4.146 1.00 0.00 H new ATOM 1807 N SER A 123 1.500 -9.848 -2.842 1.00 0.00 N ATOM 1808 CA SER A 123 2.553 -10.848 -2.711 1.00 0.00 C ATOM 1809 C SER A 123 3.624 -10.394 -1.728 1.00 0.00 C ATOM 1810 O SER A 123 4.122 -9.272 -1.812 1.00 0.00 O ATOM 1811 CB SER A 123 3.180 -11.126 -4.063 1.00 0.00 C ATOM 1812 OG SER A 123 4.225 -12.053 -3.950 1.00 0.00 O ATOM 0 H SER A 123 1.778 -8.906 -2.567 1.00 0.00 H new ATOM 0 HA SER A 123 2.102 -11.763 -2.327 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.423 -11.508 -4.748 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.557 -10.197 -4.491 1.00 0.00 H new ATOM 0 HG SER A 123 4.613 -12.218 -4.835 1.00 0.00 H new ATOM 1818 N GLY A 124 3.975 -11.274 -0.796 1.00 0.00 N ATOM 1819 CA GLY A 124 4.989 -10.965 0.205 1.00 0.00 C ATOM 1820 C GLY A 124 4.407 -11.015 1.612 1.00 0.00 C ATOM 1821 O GLY A 124 4.976 -10.459 2.551 1.00 0.00 O ATOM 0 H GLY A 124 3.572 -12.207 -0.713 1.00 0.00 H new ATOM 0 HA2 GLY A 124 5.812 -11.675 0.124 1.00 0.00 H new ATOM 0 HA3 GLY A 124 5.402 -9.974 0.014 1.00 0.00 H new ATOM 1825 N MET A 125 3.268 -11.685 1.752 1.00 0.00 N ATOM 1826 CA MET A 125 2.620 -11.833 3.050 1.00 0.00 C ATOM 1827 C MET A 125 3.511 -12.586 4.028 1.00 0.00 C ATOM 1828 O MET A 125 3.458 -12.356 5.236 1.00 0.00 O ATOM 1829 CB MET A 125 1.279 -12.547 2.893 1.00 0.00 C ATOM 1830 CG MET A 125 0.210 -11.729 2.181 1.00 0.00 C ATOM 1831 SD MET A 125 -0.130 -10.161 3.005 1.00 0.00 S ATOM 1832 CE MET A 125 -0.773 -10.737 4.574 1.00 0.00 C ATOM 0 H MET A 125 2.774 -12.135 0.981 1.00 0.00 H new ATOM 0 HA MET A 125 2.444 -10.837 3.456 1.00 0.00 H new ATOM 0 HB2 MET A 125 1.437 -13.474 2.342 1.00 0.00 H new ATOM 0 HB3 MET A 125 0.910 -12.823 3.881 1.00 0.00 H new ATOM 0 HG2 MET A 125 0.529 -11.535 1.157 1.00 0.00 H new ATOM 0 HG3 MET A 125 -0.709 -12.312 2.124 1.00 0.00 H new ATOM 0 HE1 MET A 125 -1.655 -10.155 4.841 1.00 0.00 H new ATOM 0 HE2 MET A 125 -1.044 -11.790 4.492 1.00 0.00 H new ATOM 0 HE3 MET A 125 -0.012 -10.617 5.345 1.00 0.00 H new ATOM 1842 N ASP A 126 4.332 -13.487 3.499 1.00 0.00 N ATOM 1843 CA ASP A 126 5.335 -14.176 4.303 1.00 0.00 C ATOM 1844 C ASP A 126 6.377 -13.200 4.838 1.00 0.00 C ATOM 1845 O ASP A 126 6.754 -13.259 6.007 1.00 0.00 O ATOM 1846 CB ASP A 126 6.024 -15.268 3.482 1.00 0.00 C ATOM 1847 CG ASP A 126 5.148 -16.497 3.276 1.00 0.00 C ATOM 1848 OD1 ASP A 126 4.164 -16.622 3.966 1.00 0.00 O ATOM 1849 OD2 ASP A 126 5.471 -17.297 2.432 1.00 0.00 O ATOM 0 H ASP A 126 4.322 -13.757 2.516 1.00 0.00 H new ATOM 0 HA ASP A 126 4.823 -14.634 5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 126 6.306 -14.862 2.510 1.00 0.00 H new ATOM 0 HB3 ASP A 126 6.946 -15.565 3.983 1.00 0.00 H new ATOM 1854 N VAL A 127 6.838 -12.303 3.972 1.00 0.00 N ATOM 1855 CA VAL A 127 7.781 -11.267 4.374 1.00 0.00 C ATOM 1856 C VAL A 127 7.200 -10.390 5.475 1.00 0.00 C ATOM 1857 O VAL A 127 7.908 -9.980 6.395 1.00 0.00 O ATOM 1858 CB VAL A 127 8.155 -10.388 3.165 1.00 0.00 C ATOM 1859 CG1 VAL A 127 9.000 -9.203 3.609 1.00 0.00 C ATOM 1860 CG2 VAL A 127 8.894 -11.220 2.128 1.00 0.00 C ATOM 0 H VAL A 127 6.573 -12.273 2.987 1.00 0.00 H new ATOM 0 HA VAL A 127 8.673 -11.762 4.757 1.00 0.00 H new ATOM 0 HB VAL A 127 7.242 -10.001 2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 127 9.255 -8.593 2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 127 8.437 -8.602 4.323 1.00 0.00 H new ATOM 0 HG13 VAL A 127 9.914 -9.564 4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 127 9.155 -10.592 1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 127 9.803 -11.628 2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 127 8.254 -12.037 1.794 1.00 0.00 H new ATOM 1870 N VAL A 128 5.905 -10.104 5.377 1.00 0.00 N ATOM 1871 CA VAL A 128 5.215 -9.316 6.390 1.00 0.00 C ATOM 1872 C VAL A 128 5.220 -10.026 7.737 1.00 0.00 C ATOM 1873 O VAL A 128 5.693 -9.482 8.735 1.00 0.00 O ATOM 1874 CB VAL A 128 3.762 -9.046 5.959 1.00 0.00 C ATOM 1875 CG1 VAL A 128 2.983 -8.391 7.090 1.00 0.00 C ATOM 1876 CG2 VAL A 128 3.743 -8.173 4.714 1.00 0.00 C ATOM 0 H VAL A 128 5.312 -10.407 4.604 1.00 0.00 H new ATOM 0 HA VAL A 128 5.746 -8.370 6.493 1.00 0.00 H new ATOM 0 HB VAL A 128 3.282 -9.996 5.725 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.958 -8.208 6.767 1.00 0.00 H new ATOM 0 HG12 VAL A 128 2.978 -9.051 7.958 1.00 0.00 H new ATOM 0 HG13 VAL A 128 3.454 -7.445 7.356 1.00 0.00 H new ATOM 0 HG21 VAL A 128 2.711 -7.987 4.416 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.236 -7.224 4.927 1.00 0.00 H new ATOM 0 HG23 VAL A 128 4.268 -8.681 3.905 1.00 0.00 H new ATOM 1886 N ARG A 129 4.690 -11.244 7.760 1.00 0.00 N ATOM 1887 CA ARG A 129 4.505 -11.976 9.008 1.00 0.00 C ATOM 1888 C ARG A 129 5.844 -12.327 9.643 1.00 0.00 C ATOM 1889 O ARG A 129 5.932 -12.539 10.853 1.00 0.00 O ATOM 1890 CB ARG A 129 3.711 -13.251 8.768 1.00 0.00 C ATOM 1891 CG ARG A 129 4.442 -14.320 7.971 1.00 0.00 C ATOM 1892 CD ARG A 129 3.555 -15.467 7.647 1.00 0.00 C ATOM 1893 NE ARG A 129 4.252 -16.494 6.890 1.00 0.00 N ATOM 1894 CZ ARG A 129 4.964 -17.499 7.438 1.00 0.00 C ATOM 1895 NH1 ARG A 129 5.062 -17.597 8.746 1.00 0.00 N ATOM 1896 NH2 ARG A 129 5.561 -18.386 6.661 1.00 0.00 N ATOM 0 H ARG A 129 4.381 -11.746 6.928 1.00 0.00 H new ATOM 0 HA ARG A 129 3.952 -11.329 9.689 1.00 0.00 H new ATOM 0 HB2 ARG A 129 3.424 -13.670 9.732 1.00 0.00 H new ATOM 0 HB3 ARG A 129 2.790 -12.995 8.245 1.00 0.00 H new ATOM 0 HG2 ARG A 129 4.827 -13.886 7.048 1.00 0.00 H new ATOM 0 HG3 ARG A 129 5.302 -14.674 8.540 1.00 0.00 H new ATOM 0 HD2 ARG A 129 3.166 -15.897 8.570 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.698 -15.113 7.074 1.00 0.00 H new ATOM 0 HE ARG A 129 4.199 -16.451 5.872 1.00 0.00 H new ATOM 0 HH11 ARG A 129 4.599 -16.913 9.345 1.00 0.00 H new ATOM 0 HH12 ARG A 129 5.600 -18.357 9.162 1.00 0.00 H new ATOM 0 HH21 ARG A 129 5.483 -18.310 5.647 1.00 0.00 H new ATOM 0 HH22 ARG A 129 6.100 -19.146 7.076 1.00 0.00 H new ATOM 1910 N THR A 130 6.886 -12.388 8.821 1.00 0.00 N ATOM 1911 CA THR A 130 8.229 -12.683 9.306 1.00 0.00 C ATOM 1912 C THR A 130 9.054 -11.410 9.446 1.00 0.00 C ATOM 1913 O THR A 130 10.254 -11.463 9.718 1.00 0.00 O ATOM 1914 CB THR A 130 8.954 -13.668 8.371 1.00 0.00 C ATOM 1915 OG1 THR A 130 9.082 -13.087 7.066 1.00 0.00 O ATOM 1916 CG2 THR A 130 8.177 -14.972 8.266 1.00 0.00 C ATOM 0 H THR A 130 6.826 -12.237 7.814 1.00 0.00 H new ATOM 0 HA THR A 130 8.123 -13.144 10.288 1.00 0.00 H new ATOM 0 HB THR A 130 9.942 -13.876 8.782 1.00 0.00 H new ATOM 0 HG1 THR A 130 8.365 -13.421 6.487 1.00 0.00 H new ATOM 0 HG21 THR A 130 8.704 -15.657 7.601 1.00 0.00 H new ATOM 0 HG22 THR A 130 8.087 -15.423 9.254 1.00 0.00 H new ATOM 0 HG23 THR A 130 7.183 -14.772 7.867 1.00 0.00 H new ATOM 1924 N MET A 131 8.405 -10.266 9.259 1.00 0.00 N ATOM 1925 CA MET A 131 9.083 -8.978 9.342 1.00 0.00 C ATOM 1926 C MET A 131 9.594 -8.715 10.753 1.00 0.00 C ATOM 1927 O MET A 131 8.912 -9.005 11.735 1.00 0.00 O ATOM 1928 CB MET A 131 8.144 -7.858 8.897 1.00 0.00 C ATOM 1929 CG MET A 131 8.802 -6.489 8.793 1.00 0.00 C ATOM 1930 SD MET A 131 7.647 -5.199 8.288 1.00 0.00 S ATOM 1931 CE MET A 131 7.415 -5.611 6.561 1.00 0.00 C ATOM 0 H MET A 131 7.409 -10.205 9.049 1.00 0.00 H new ATOM 0 HA MET A 131 9.944 -9.004 8.674 1.00 0.00 H new ATOM 0 HB2 MET A 131 7.721 -8.119 7.927 1.00 0.00 H new ATOM 0 HB3 MET A 131 7.314 -7.796 9.600 1.00 0.00 H new ATOM 0 HG2 MET A 131 9.237 -6.225 9.757 1.00 0.00 H new ATOM 0 HG3 MET A 131 9.622 -6.538 8.076 1.00 0.00 H new ATOM 0 HE1 MET A 131 7.696 -4.758 5.943 1.00 0.00 H new ATOM 0 HE2 MET A 131 8.039 -6.467 6.304 1.00 0.00 H new ATOM 0 HE3 MET A 131 6.369 -5.859 6.384 1.00 0.00 H new ATOM 1941 N LYS A 132 10.799 -8.162 10.847 1.00 0.00 N ATOM 1942 CA LYS A 132 11.343 -7.721 12.126 1.00 0.00 C ATOM 1943 C LYS A 132 10.820 -6.340 12.498 1.00 0.00 C ATOM 1944 O LYS A 132 10.703 -5.459 11.645 1.00 0.00 O ATOM 1945 CB LYS A 132 12.871 -7.712 12.084 1.00 0.00 C ATOM 1946 CG LYS A 132 13.532 -7.229 13.368 1.00 0.00 C ATOM 1947 CD LYS A 132 15.048 -7.330 13.281 1.00 0.00 C ATOM 1948 CE LYS A 132 15.711 -6.832 14.557 1.00 0.00 C ATOM 1949 NZ LYS A 132 17.192 -6.971 14.505 1.00 0.00 N ATOM 0 H LYS A 132 11.418 -8.009 10.051 1.00 0.00 H new ATOM 0 HA LYS A 132 11.016 -8.427 12.890 1.00 0.00 H new ATOM 0 HB2 LYS A 132 13.222 -8.720 11.866 1.00 0.00 H new ATOM 0 HB3 LYS A 132 13.196 -7.076 11.261 1.00 0.00 H new ATOM 0 HG2 LYS A 132 13.245 -6.195 13.561 1.00 0.00 H new ATOM 0 HG3 LYS A 132 13.174 -7.822 14.209 1.00 0.00 H new ATOM 0 HD2 LYS A 132 15.336 -8.366 13.100 1.00 0.00 H new ATOM 0 HD3 LYS A 132 15.405 -6.747 12.432 1.00 0.00 H new ATOM 0 HE2 LYS A 132 15.450 -5.786 14.717 1.00 0.00 H new ATOM 0 HE3 LYS A 132 15.324 -7.391 15.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 17.605 -6.621 15.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 17.442 -7.972 14.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 17.565 -6.417 13.708 1.00 0.00 H new ATOM 1963 N ASN A 133 10.508 -6.155 13.776 1.00 0.00 N ATOM 1964 CA ASN A 133 10.036 -4.868 14.272 1.00 0.00 C ATOM 1965 C ASN A 133 11.072 -3.775 14.042 1.00 0.00 C ATOM 1966 O ASN A 133 12.187 -3.845 14.559 1.00 0.00 O ATOM 1967 CB ASN A 133 9.676 -4.961 15.744 1.00 0.00 C ATOM 1968 CG ASN A 133 8.840 -3.801 16.209 1.00 0.00 C ATOM 1969 OD1 ASN A 133 8.165 -3.146 15.407 1.00 0.00 O ATOM 1970 ND2 ASN A 133 8.874 -3.534 17.489 1.00 0.00 N ATOM 0 H ASN A 133 10.574 -6.882 14.488 1.00 0.00 H new ATOM 0 HA ASN A 133 9.139 -4.603 13.712 1.00 0.00 H new ATOM 0 HB2 ASN A 133 9.134 -5.890 15.924 1.00 0.00 H new ATOM 0 HB3 ASN A 133 10.590 -5.006 16.336 1.00 0.00 H new ATOM 0 HD21 ASN A 133 8.328 -2.757 17.863 1.00 0.00 H new ATOM 0 HD22 ASN A 133 9.446 -4.102 18.114 1.00 0.00 H new ATOM 1977 N GLY A 134 10.698 -2.766 13.263 1.00 0.00 N ATOM 1978 CA GLY A 134 11.604 -1.670 12.940 1.00 0.00 C ATOM 1979 C GLY A 134 12.389 -1.961 11.668 1.00 0.00 C ATOM 1980 O GLY A 134 13.387 -1.303 11.378 1.00 0.00 O ATOM 0 H GLY A 134 9.772 -2.684 12.843 1.00 0.00 H new ATOM 0 HA2 GLY A 134 11.035 -0.749 12.816 1.00 0.00 H new ATOM 0 HA3 GLY A 134 12.295 -1.510 13.768 1.00 0.00 H new ATOM 1984 N ASP A 135 11.930 -2.952 10.910 1.00 0.00 N ATOM 1985 CA ASP A 135 12.524 -3.263 9.615 1.00 0.00 C ATOM 1986 C ASP A 135 12.504 -2.050 8.694 1.00 0.00 C ATOM 1987 O ASP A 135 11.495 -1.352 8.591 1.00 0.00 O ATOM 1988 CB ASP A 135 11.785 -4.427 8.951 1.00 0.00 C ATOM 1989 CG ASP A 135 12.569 -5.051 7.805 1.00 0.00 C ATOM 1990 OD1 ASP A 135 13.653 -4.593 7.535 1.00 0.00 O ATOM 1991 OD2 ASP A 135 12.075 -5.981 7.211 1.00 0.00 O ATOM 0 H ASP A 135 11.148 -3.553 11.171 1.00 0.00 H new ATOM 0 HA ASP A 135 13.562 -3.549 9.788 1.00 0.00 H new ATOM 0 HB2 ASP A 135 11.575 -5.191 9.699 1.00 0.00 H new ATOM 0 HB3 ASP A 135 10.824 -4.074 8.577 1.00 0.00 H new ATOM 1996 N VAL A 136 13.625 -1.804 8.024 1.00 0.00 N ATOM 1997 CA VAL A 136 13.796 -0.588 7.237 1.00 0.00 C ATOM 1998 C VAL A 136 13.375 -0.805 5.790 1.00 0.00 C ATOM 1999 O VAL A 136 13.747 -1.800 5.167 1.00 0.00 O ATOM 2000 CB VAL A 136 15.265 -0.127 7.278 1.00 0.00 C ATOM 2001 CG1 VAL A 136 15.443 1.154 6.478 1.00 0.00 C ATOM 2002 CG2 VAL A 136 15.707 0.070 8.719 1.00 0.00 C ATOM 0 H VAL A 136 14.429 -2.431 8.010 1.00 0.00 H new ATOM 0 HA VAL A 136 13.159 0.181 7.674 1.00 0.00 H new ATOM 0 HB VAL A 136 15.890 -0.897 6.826 1.00 0.00 H new ATOM 0 HG11 VAL A 136 16.487 1.466 6.518 1.00 0.00 H new ATOM 0 HG12 VAL A 136 15.156 0.978 5.441 1.00 0.00 H new ATOM 0 HG13 VAL A 136 14.814 1.937 6.901 1.00 0.00 H new ATOM 0 HG21 VAL A 136 16.747 0.396 8.739 1.00 0.00 H new ATOM 0 HG22 VAL A 136 15.080 0.826 9.192 1.00 0.00 H new ATOM 0 HG23 VAL A 136 15.611 -0.871 9.261 1.00 0.00 H new ATOM 2012 N MET A 137 12.595 0.131 5.259 1.00 0.00 N ATOM 2013 CA MET A 137 12.199 0.093 3.856 1.00 0.00 C ATOM 2014 C MET A 137 13.270 0.708 2.965 1.00 0.00 C ATOM 2015 O MET A 137 13.569 1.898 3.068 1.00 0.00 O ATOM 2016 CB MET A 137 10.866 0.814 3.665 1.00 0.00 C ATOM 2017 CG MET A 137 9.671 0.101 4.282 1.00 0.00 C ATOM 2018 SD MET A 137 8.116 0.967 3.985 1.00 0.00 S ATOM 2019 CE MET A 137 8.128 2.153 5.326 1.00 0.00 C ATOM 0 H MET A 137 12.224 0.926 5.780 1.00 0.00 H new ATOM 0 HA MET A 137 12.081 -0.951 3.564 1.00 0.00 H new ATOM 0 HB2 MET A 137 10.941 1.812 4.098 1.00 0.00 H new ATOM 0 HB3 MET A 137 10.686 0.942 2.598 1.00 0.00 H new ATOM 0 HG2 MET A 137 9.604 -0.908 3.874 1.00 0.00 H new ATOM 0 HG3 MET A 137 9.827 0.001 5.356 1.00 0.00 H new ATOM 0 HE1 MET A 137 7.254 1.996 5.959 1.00 0.00 H new ATOM 0 HE2 MET A 137 9.033 2.023 5.919 1.00 0.00 H new ATOM 0 HE3 MET A 137 8.103 3.164 4.918 1.00 0.00 H new ATOM 2029 N LYS A 138 13.844 -0.108 2.088 1.00 0.00 N ATOM 2030 CA LYS A 138 14.967 0.321 1.264 1.00 0.00 C ATOM 2031 C LYS A 138 14.490 1.102 0.046 1.00 0.00 C ATOM 2032 O LYS A 138 15.079 2.118 -0.323 1.00 0.00 O ATOM 2033 CB LYS A 138 15.799 -0.885 0.821 1.00 0.00 C ATOM 2034 CG LYS A 138 17.011 -0.534 -0.030 1.00 0.00 C ATOM 2035 CD LYS A 138 17.869 -1.761 -0.304 1.00 0.00 C ATOM 2036 CE LYS A 138 19.090 -1.409 -1.139 1.00 0.00 C ATOM 2037 NZ LYS A 138 19.947 -2.597 -1.399 1.00 0.00 N ATOM 0 H LYS A 138 13.549 -1.072 1.930 1.00 0.00 H new ATOM 0 HA LYS A 138 15.591 0.979 1.869 1.00 0.00 H new ATOM 0 HB2 LYS A 138 16.136 -1.424 1.707 1.00 0.00 H new ATOM 0 HB3 LYS A 138 15.160 -1.565 0.258 1.00 0.00 H new ATOM 0 HG2 LYS A 138 16.682 -0.100 -0.974 1.00 0.00 H new ATOM 0 HG3 LYS A 138 17.608 0.223 0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 138 18.187 -2.203 0.640 1.00 0.00 H new ATOM 0 HD3 LYS A 138 17.275 -2.513 -0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 138 18.769 -0.979 -2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 138 19.674 -0.646 -0.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 20.768 -2.314 -1.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 20.275 -2.993 -0.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 19.398 -3.315 -1.913 1.00 0.00 H new ATOM 2051 N GLU A 139 13.419 0.622 -0.576 1.00 0.00 N ATOM 2052 CA GLU A 139 12.866 1.267 -1.761 1.00 0.00 C ATOM 2053 C GLU A 139 11.363 1.041 -1.862 1.00 0.00 C ATOM 2054 O GLU A 139 10.907 -0.083 -2.068 1.00 0.00 O ATOM 2055 CB GLU A 139 13.555 0.744 -3.023 1.00 0.00 C ATOM 2056 CG GLU A 139 13.009 1.319 -4.323 1.00 0.00 C ATOM 2057 CD GLU A 139 13.748 0.828 -5.537 1.00 0.00 C ATOM 2058 OE1 GLU A 139 14.756 0.184 -5.374 1.00 0.00 O ATOM 2059 OE2 GLU A 139 13.303 1.098 -6.627 1.00 0.00 O ATOM 0 H GLU A 139 12.915 -0.214 -0.278 1.00 0.00 H new ATOM 0 HA GLU A 139 13.046 2.338 -1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 139 14.620 0.968 -2.960 1.00 0.00 H new ATOM 0 HB3 GLU A 139 13.459 -0.341 -3.051 1.00 0.00 H new ATOM 0 HG2 GLU A 139 11.955 1.058 -4.415 1.00 0.00 H new ATOM 0 HG3 GLU A 139 13.065 2.407 -4.285 1.00 0.00 H new ATOM 2066 N VAL A 140 10.597 2.117 -1.715 1.00 0.00 N ATOM 2067 CA VAL A 140 9.153 2.061 -1.904 1.00 0.00 C ATOM 2068 C VAL A 140 8.730 2.839 -3.144 1.00 0.00 C ATOM 2069 O VAL A 140 8.881 4.059 -3.206 1.00 0.00 O ATOM 2070 CB VAL A 140 8.429 2.635 -0.671 1.00 0.00 C ATOM 2071 CG1 VAL A 140 6.921 2.560 -0.856 1.00 0.00 C ATOM 2072 CG2 VAL A 140 8.858 1.879 0.578 1.00 0.00 C ATOM 0 H VAL A 140 10.953 3.039 -1.465 1.00 0.00 H new ATOM 0 HA VAL A 140 8.877 1.015 -2.036 1.00 0.00 H new ATOM 0 HB VAL A 140 8.702 3.684 -0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 140 6.426 2.970 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 140 6.633 3.136 -1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.622 1.520 -0.990 1.00 0.00 H new ATOM 0 HG21 VAL A 140 8.343 2.289 1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 140 8.604 0.824 0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 140 9.935 1.981 0.713 1.00 0.00 H new ATOM 2082 N LYS A 141 8.199 2.125 -4.131 1.00 0.00 N ATOM 2083 CA LYS A 141 7.830 2.733 -5.404 1.00 0.00 C ATOM 2084 C LYS A 141 6.402 2.372 -5.793 1.00 0.00 C ATOM 2085 O LYS A 141 5.913 1.292 -5.465 1.00 0.00 O ATOM 2086 CB LYS A 141 8.800 2.301 -6.506 1.00 0.00 C ATOM 2087 CG LYS A 141 10.247 2.710 -6.265 1.00 0.00 C ATOM 2088 CD LYS A 141 10.427 4.214 -6.405 1.00 0.00 C ATOM 2089 CE LYS A 141 11.858 4.632 -6.097 1.00 0.00 C ATOM 2090 NZ LYS A 141 12.837 3.978 -7.007 1.00 0.00 N ATOM 0 H LYS A 141 8.014 1.123 -4.074 1.00 0.00 H new ATOM 0 HA LYS A 141 7.888 3.815 -5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 141 8.754 1.217 -6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 141 8.468 2.726 -7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 141 10.555 2.396 -5.268 1.00 0.00 H new ATOM 0 HG3 LYS A 141 10.895 2.196 -6.975 1.00 0.00 H new ATOM 0 HD2 LYS A 141 10.167 4.521 -7.418 1.00 0.00 H new ATOM 0 HD3 LYS A 141 9.743 4.728 -5.730 1.00 0.00 H new ATOM 0 HE2 LYS A 141 11.947 5.715 -6.186 1.00 0.00 H new ATOM 0 HE3 LYS A 141 12.096 4.377 -5.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 13.766 4.435 -6.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 12.918 2.970 -6.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 12.513 4.071 -7.991 1.00 0.00 H new ATOM 2104 N VAL A 142 5.737 3.284 -6.494 1.00 0.00 N ATOM 2105 CA VAL A 142 4.384 3.040 -6.981 1.00 0.00 C ATOM 2106 C VAL A 142 4.231 3.481 -8.430 1.00 0.00 C ATOM 2107 O VAL A 142 4.789 4.499 -8.842 1.00 0.00 O ATOM 2108 CB VAL A 142 3.360 3.791 -6.108 1.00 0.00 C ATOM 2109 CG1 VAL A 142 1.952 3.589 -6.648 1.00 0.00 C ATOM 2110 CG2 VAL A 142 3.459 3.314 -4.667 1.00 0.00 C ATOM 0 H VAL A 142 6.113 4.200 -6.738 1.00 0.00 H new ATOM 0 HA VAL A 142 4.199 1.967 -6.923 1.00 0.00 H new ATOM 0 HB VAL A 142 3.584 4.857 -6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.241 4.126 -6.020 1.00 0.00 H new ATOM 0 HG12 VAL A 142 1.895 3.970 -7.668 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.710 2.526 -6.644 1.00 0.00 H new ATOM 0 HG21 VAL A 142 2.732 3.849 -4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 142 3.253 2.245 -4.623 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.463 3.506 -4.288 1.00 0.00 H new ATOM 2120 N PHE A 143 3.474 2.709 -9.202 1.00 0.00 N ATOM 2121 CA PHE A 143 3.233 3.026 -10.604 1.00 0.00 C ATOM 2122 C PHE A 143 1.812 2.666 -11.015 1.00 0.00 C ATOM 2123 O PHE A 143 1.085 2.015 -10.264 1.00 0.00 O ATOM 2124 CB PHE A 143 4.231 2.289 -11.498 1.00 0.00 C ATOM 2125 CG PHE A 143 4.230 0.799 -11.307 1.00 0.00 C ATOM 2126 CD1 PHE A 143 5.031 0.207 -10.343 1.00 0.00 C ATOM 2127 CD2 PHE A 143 3.425 -0.015 -12.091 1.00 0.00 C ATOM 2128 CE1 PHE A 143 5.031 -1.163 -10.165 1.00 0.00 C ATOM 2129 CE2 PHE A 143 3.423 -1.385 -11.917 1.00 0.00 C ATOM 2130 CZ PHE A 143 4.226 -1.960 -10.954 1.00 0.00 C ATOM 0 H PHE A 143 3.016 1.857 -8.879 1.00 0.00 H new ATOM 0 HA PHE A 143 3.366 4.101 -10.727 1.00 0.00 H new ATOM 0 HB2 PHE A 143 4.005 2.513 -12.541 1.00 0.00 H new ATOM 0 HB3 PHE A 143 5.233 2.671 -11.300 1.00 0.00 H new ATOM 0 HD1 PHE A 143 5.663 0.825 -9.723 1.00 0.00 H new ATOM 0 HD2 PHE A 143 2.793 0.428 -12.846 1.00 0.00 H new ATOM 0 HE1 PHE A 143 5.660 -1.610 -9.409 1.00 0.00 H new ATOM 0 HE2 PHE A 143 2.792 -2.007 -12.535 1.00 0.00 H new ATOM 0 HZ PHE A 143 4.225 -3.031 -10.818 1.00 0.00 H new ATOM 2140 N ASP A 144 1.421 3.092 -12.211 1.00 0.00 N ATOM 2141 CA ASP A 144 0.080 2.825 -12.718 1.00 0.00 C ATOM 2142 C ASP A 144 -0.024 1.413 -13.279 1.00 0.00 C ATOM 2143 O ASP A 144 0.872 0.944 -13.980 1.00 0.00 O ATOM 2144 CB ASP A 144 -0.295 3.839 -13.802 1.00 0.00 C ATOM 2145 CG ASP A 144 -0.500 5.245 -13.253 1.00 0.00 C ATOM 2146 OD1 ASP A 144 -1.205 5.384 -12.282 1.00 0.00 O ATOM 2147 OD2 ASP A 144 0.049 6.164 -13.809 1.00 0.00 O ATOM 0 H ASP A 144 2.014 3.624 -12.848 1.00 0.00 H new ATOM 0 HA ASP A 144 -0.615 2.919 -11.883 1.00 0.00 H new ATOM 0 HB2 ASP A 144 0.489 3.861 -14.559 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -1.208 3.511 -14.298 1.00 0.00 H new ATOM 2152 N GLU A 145 -1.125 0.737 -12.964 1.00 0.00 N ATOM 2153 CA GLU A 145 -1.318 -0.647 -13.378 1.00 0.00 C ATOM 2154 C GLU A 145 -2.792 -1.034 -13.337 1.00 0.00 C ATOM 2155 O GLU A 145 -3.216 -1.810 -12.482 1.00 0.00 O ATOM 2156 CB GLU A 145 -0.510 -1.589 -12.483 1.00 0.00 C ATOM 2157 CG GLU A 145 -0.602 -3.058 -12.871 1.00 0.00 C ATOM 2158 CD GLU A 145 0.046 -3.355 -14.194 1.00 0.00 C ATOM 2159 OE1 GLU A 145 0.699 -2.489 -14.723 1.00 0.00 O ATOM 2160 OE2 GLU A 145 -0.114 -4.451 -14.679 1.00 0.00 O ATOM 0 H GLU A 145 -1.897 1.126 -12.423 1.00 0.00 H new ATOM 0 HA GLU A 145 -0.967 -0.739 -14.406 1.00 0.00 H new ATOM 0 HB2 GLU A 145 0.536 -1.284 -12.507 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -0.852 -1.475 -11.454 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -0.130 -3.663 -12.097 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -1.651 -3.353 -12.911 1.00 0.00 H new ATOM 2167 N PRO A 146 -3.567 -0.487 -14.268 1.00 0.00 N ATOM 2168 CA PRO A 146 -4.986 -0.809 -14.369 1.00 0.00 C ATOM 2169 C PRO A 146 -5.203 -2.315 -14.459 1.00 0.00 C ATOM 2170 O PRO A 146 -5.747 -2.784 -13.763 1.00 0.00 O ATOM 2171 CB PRO A 146 -5.410 -0.099 -15.658 1.00 0.00 C ATOM 2172 CG PRO A 146 -4.469 1.053 -15.767 1.00 0.00 C ATOM 2173 CD PRO A 146 -3.153 0.509 -15.281 1.00 0.00 C ATOM 2174 OXT PRO A 146 -4.722 -2.937 -15.365 1.00 0.00 O ATOM 0 HA PRO A 146 -5.564 -0.492 -13.501 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -5.332 -0.760 -16.521 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -6.446 0.236 -15.606 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -4.396 1.411 -16.794 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -4.800 1.895 -15.159 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -2.581 0.052 -16.088 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -2.527 1.290 -14.849 1.00 0.00 H new