USER MOD reduce.3.24.130724 H: found=0, std=0, add=1135, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1137 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 3 ASN : amide:sc= -2.88 K(o=-6.3,f=-2.5) USER MOD Set 1.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 63 ASN : amide:sc= -3.39 K(o=-6.3,f=-2.5) USER MOD Set 2.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 86 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 21 MET CE :methyl -141:sc= -4.38 (180deg=-8.39!) USER MOD Set 3.2: A 28 CYS SG : rot 141:sc= -0.942 USER MOD Set 4.1: A 5 LYS NZ :NH3+ -163:sc= 1.15 (180deg=0) USER MOD Set 4.2: A 46 GLN : amide:sc= -5.67! C(o=-4.5!,f=-18!) USER MOD Single : A 6 HIS : no HD1:sc= -0.708 X(o=-0.71,f=-0.49) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -5.63! K(o=-5.6!,f=-3) USER MOD Single : A 15 HIS : no HD1:sc= -3.81! C(o=-3.8!,f=-6.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -29:sc= -3.22 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot -45:sc= -6.62! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -6.09! C(o=-6.1!,f=-10!) USER MOD Single : A 33 HIS : no HD1:sc= -0.185 X(o=-0.18,f=-0.002) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -110:sc= -1.37 (180deg=-4.62!) USER MOD Single : A 55 SER OG : rot 36:sc= -0.144 USER MOD Single : A 57 LYS NZ :NH3+ -105:sc= -0.946 (180deg=-2.99!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -150:sc= -4.81! (180deg=-8.05!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -2.75 K(o=-2.7,f=-6.2!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.57 K(o=-1.6,f=-0.77) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -171:sc= -0.155 (180deg=-0.229) USER MOD Single : A 102 ASN : amide:sc= -3.13 K(o=-3.1,f=-1.7!) USER MOD Single : A 104 LYS NZ :NH3+ -145:sc= -0.105 (180deg=-0.935) USER MOD Single : A 106 SER OG : rot -104:sc= 0.76 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= -0.44 USER MOD Single : A 117 GLN : amide:sc= -6.54! C(o=-6.5!,f=-3!) USER MOD Single : A 120 GLN : amide:sc= -4.38! C(o=-4.4!,f=-9.9!) USER MOD Single : A 122 MET CE :methyl 156:sc= -7.47! (180deg=-10.6!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -8.41! C(o=-8.4!,f=-20!) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= -0.024 X(o=-0.024,f=0) USER MOD Single : A 138 GLN : amide:sc= -1.54 K(o=-1.5,f=-0.24) USER MOD Single : A 139 GLN : amide:sc=-0.00671 X(o=-0.0067,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -18.212 -0.342 -5.486 1.00 0.00 N ATOM 21 CA GLU A 2 -17.798 -1.175 -6.609 1.00 0.00 C ATOM 22 C GLU A 2 -16.290 -1.402 -6.594 1.00 0.00 C ATOM 23 O GLU A 2 -15.814 -2.492 -6.913 1.00 0.00 O ATOM 24 CB GLU A 2 -18.214 -0.527 -7.931 1.00 0.00 C ATOM 25 CG GLU A 2 -19.715 -0.330 -8.068 1.00 0.00 C ATOM 26 CD GLU A 2 -20.345 -1.307 -9.042 1.00 0.00 C ATOM 27 OE1 GLU A 2 -20.250 -1.072 -10.264 1.00 0.00 O ATOM 28 OE2 GLU A 2 -20.936 -2.307 -8.580 1.00 0.00 O ATOM 0 HA GLU A 2 -18.293 -2.142 -6.513 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -17.719 0.440 -8.023 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -17.861 -1.146 -8.756 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -20.183 -0.444 -7.090 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -19.915 0.689 -8.400 1.00 0.00 H new ATOM 35 N ASN A 3 -15.542 -0.368 -6.224 1.00 0.00 N ATOM 36 CA ASN A 3 -14.090 -0.453 -6.168 1.00 0.00 C ATOM 37 C ASN A 3 -13.626 -1.019 -4.830 1.00 0.00 C ATOM 38 O ASN A 3 -12.532 -1.574 -4.727 1.00 0.00 O ATOM 39 CB ASN A 3 -13.480 0.930 -6.369 1.00 0.00 C ATOM 40 CG ASN A 3 -14.083 1.674 -7.539 1.00 0.00 C ATOM 41 OD1 ASN A 3 -14.768 1.091 -8.381 1.00 0.00 O ATOM 42 ND2 ASN A 3 -13.826 2.973 -7.597 1.00 0.00 N ATOM 0 H ASN A 3 -15.920 0.541 -5.958 1.00 0.00 H new ATOM 0 HA ASN A 3 -13.760 -1.121 -6.963 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.617 1.518 -5.461 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -12.406 0.829 -6.524 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -14.201 3.533 -8.362 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -13.253 3.412 -6.876 1.00 0.00 H new ATOM 49 N LEU A 4 -14.461 -0.870 -3.805 1.00 0.00 N ATOM 50 CA LEU A 4 -14.131 -1.361 -2.473 1.00 0.00 C ATOM 51 C LEU A 4 -13.750 -2.833 -2.523 1.00 0.00 C ATOM 52 O LEU A 4 -12.732 -3.241 -1.972 1.00 0.00 O ATOM 53 CB LEU A 4 -15.312 -1.154 -1.521 1.00 0.00 C ATOM 54 CG LEU A 4 -15.148 0.000 -0.531 1.00 0.00 C ATOM 55 CD1 LEU A 4 -16.506 0.477 -0.038 1.00 0.00 C ATOM 56 CD2 LEU A 4 -14.271 -0.420 0.640 1.00 0.00 C ATOM 0 H LEU A 4 -15.370 -0.413 -3.873 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.277 -0.795 -2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -16.211 -0.980 -2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.473 -2.074 -0.960 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.659 0.827 -1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -16.370 1.298 0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -17.101 0.819 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -17.022 -0.345 0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.166 0.414 1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.731 -1.264 1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.287 -0.712 0.272 1.00 0.00 H new ATOM 68 N LYS A 5 -14.571 -3.625 -3.195 1.00 0.00 N ATOM 69 CA LYS A 5 -14.306 -5.052 -3.318 1.00 0.00 C ATOM 70 C LYS A 5 -13.028 -5.297 -4.111 1.00 0.00 C ATOM 71 O LYS A 5 -12.407 -6.353 -3.996 1.00 0.00 O ATOM 72 CB LYS A 5 -15.485 -5.765 -3.984 1.00 0.00 C ATOM 73 CG LYS A 5 -16.836 -5.387 -3.399 1.00 0.00 C ATOM 74 CD LYS A 5 -16.887 -5.643 -1.902 1.00 0.00 C ATOM 75 CE LYS A 5 -18.297 -5.479 -1.358 1.00 0.00 C ATOM 76 NZ LYS A 5 -18.452 -6.109 -0.017 1.00 0.00 N ATOM 0 H LYS A 5 -15.421 -3.308 -3.661 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.175 -5.458 -2.315 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.483 -5.535 -5.049 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.347 -6.842 -3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -17.037 -4.334 -3.596 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.621 -5.959 -3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.529 -6.651 -1.692 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -16.216 -4.953 -1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.539 -4.418 -1.291 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -19.008 -5.925 -2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.463 -6.234 0.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.980 -7.036 -0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.021 -5.498 0.706 1.00 0.00 H new ATOM 90 N HIS A 6 -12.628 -4.306 -4.900 1.00 0.00 N ATOM 91 CA HIS A 6 -11.410 -4.408 -5.691 1.00 0.00 C ATOM 92 C HIS A 6 -10.221 -3.938 -4.863 1.00 0.00 C ATOM 93 O HIS A 6 -9.097 -4.406 -5.042 1.00 0.00 O ATOM 94 CB HIS A 6 -11.525 -3.578 -6.971 1.00 0.00 C ATOM 95 CG HIS A 6 -11.049 -4.300 -8.194 1.00 0.00 C ATOM 96 ND1 HIS A 6 -11.299 -5.636 -8.424 1.00 0.00 N ATOM 97 CD2 HIS A 6 -10.333 -3.865 -9.258 1.00 0.00 C ATOM 98 CE1 HIS A 6 -10.756 -5.993 -9.575 1.00 0.00 C ATOM 99 NE2 HIS A 6 -10.164 -4.936 -10.101 1.00 0.00 N ATOM 0 H HIS A 6 -13.130 -3.424 -5.008 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.262 -5.450 -5.974 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -12.565 -3.285 -7.113 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -10.949 -2.660 -6.853 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.964 -2.862 -9.415 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.791 -6.981 -10.011 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -9.663 -4.918 -10.989 1.00 0.00 H new ATOM 108 N ILE A 7 -10.491 -3.019 -3.942 1.00 0.00 N ATOM 109 CA ILE A 7 -9.466 -2.485 -3.062 1.00 0.00 C ATOM 110 C ILE A 7 -9.238 -3.428 -1.886 1.00 0.00 C ATOM 111 O ILE A 7 -8.101 -3.748 -1.546 1.00 0.00 O ATOM 112 CB ILE A 7 -9.863 -1.088 -2.538 1.00 0.00 C ATOM 113 CG1 ILE A 7 -9.709 -0.055 -3.658 1.00 0.00 C ATOM 114 CG2 ILE A 7 -9.021 -0.691 -1.329 1.00 0.00 C ATOM 115 CD1 ILE A 7 -11.001 0.614 -4.077 1.00 0.00 C ATOM 0 H ILE A 7 -11.420 -2.628 -3.788 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.543 -2.393 -3.635 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.905 -1.122 -2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.006 0.712 -3.333 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.269 -0.543 -4.527 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.324 0.297 -0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.168 -1.416 -0.529 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.968 -0.670 -1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.798 1.330 -4.874 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.701 -0.140 -4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.435 1.135 -3.223 1.00 0.00 H new ATOM 127 N ILE A 8 -10.330 -3.872 -1.272 1.00 0.00 N ATOM 128 CA ILE A 8 -10.250 -4.784 -0.142 1.00 0.00 C ATOM 129 C ILE A 8 -9.603 -6.087 -0.572 1.00 0.00 C ATOM 130 O ILE A 8 -8.653 -6.563 0.049 1.00 0.00 O ATOM 131 CB ILE A 8 -11.643 -5.088 0.428 1.00 0.00 C ATOM 132 CG1 ILE A 8 -12.378 -3.794 0.771 1.00 0.00 C ATOM 133 CG2 ILE A 8 -11.539 -5.988 1.650 1.00 0.00 C ATOM 134 CD1 ILE A 8 -13.881 -3.954 0.843 1.00 0.00 C ATOM 0 H ILE A 8 -11.280 -3.614 -1.540 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.650 -4.303 0.630 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.217 -5.615 -0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.014 -3.422 1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -12.136 -3.039 0.023 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.537 -6.191 2.038 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.060 -6.927 1.371 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.945 -5.492 2.418 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.337 -2.996 1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.257 -4.297 -0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.133 -4.685 1.611 1.00 0.00 H new ATOM 146 N THR A 9 -10.125 -6.651 -1.653 1.00 0.00 N ATOM 147 CA THR A 9 -9.595 -7.896 -2.189 1.00 0.00 C ATOM 148 C THR A 9 -8.132 -7.708 -2.558 1.00 0.00 C ATOM 149 O THR A 9 -7.279 -8.526 -2.210 1.00 0.00 O ATOM 150 CB THR A 9 -10.401 -8.346 -3.411 1.00 0.00 C ATOM 151 OG1 THR A 9 -10.195 -9.724 -3.668 1.00 0.00 O ATOM 152 CG2 THR A 9 -10.051 -7.586 -4.671 1.00 0.00 C ATOM 0 H THR A 9 -10.913 -6.267 -2.174 1.00 0.00 H new ATOM 0 HA THR A 9 -9.676 -8.672 -1.428 1.00 0.00 H new ATOM 0 HB THR A 9 -11.442 -8.143 -3.161 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.719 -9.993 -4.451 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.658 -7.954 -5.498 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.247 -6.524 -4.522 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.996 -7.731 -4.902 1.00 0.00 H new ATOM 160 N LEU A 10 -7.845 -6.604 -3.245 1.00 0.00 N ATOM 161 CA LEU A 10 -6.482 -6.296 -3.632 1.00 0.00 C ATOM 162 C LEU A 10 -5.651 -6.046 -2.390 1.00 0.00 C ATOM 163 O LEU A 10 -4.464 -6.371 -2.347 1.00 0.00 O ATOM 164 CB LEU A 10 -6.425 -5.084 -4.561 1.00 0.00 C ATOM 165 CG LEU A 10 -5.030 -4.748 -5.095 1.00 0.00 C ATOM 166 CD1 LEU A 10 -4.248 -6.021 -5.401 1.00 0.00 C ATOM 167 CD2 LEU A 10 -5.132 -3.873 -6.335 1.00 0.00 C ATOM 0 H LEU A 10 -8.537 -5.916 -3.541 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.077 -7.148 -4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.089 -5.261 -5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.813 -4.216 -4.027 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.493 -4.195 -4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.260 -5.759 -5.779 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.143 -6.611 -4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.781 -6.604 -6.152 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.132 -3.643 -6.702 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.690 -4.401 -7.108 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.648 -2.946 -6.085 1.00 0.00 H new ATOM 179 N GLY A 11 -6.291 -5.498 -1.360 1.00 0.00 N ATOM 180 CA GLY A 11 -5.589 -5.262 -0.122 1.00 0.00 C ATOM 181 C GLY A 11 -5.101 -6.570 0.454 1.00 0.00 C ATOM 182 O GLY A 11 -4.065 -6.624 1.114 1.00 0.00 O ATOM 0 H GLY A 11 -7.272 -5.218 -1.365 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.745 -4.594 -0.295 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.248 -4.765 0.590 1.00 0.00 H new ATOM 186 N GLN A 12 -5.853 -7.636 0.171 1.00 0.00 N ATOM 187 CA GLN A 12 -5.500 -8.970 0.633 1.00 0.00 C ATOM 188 C GLN A 12 -4.407 -9.563 -0.246 1.00 0.00 C ATOM 189 O GLN A 12 -3.506 -10.243 0.244 1.00 0.00 O ATOM 190 CB GLN A 12 -6.729 -9.884 0.624 1.00 0.00 C ATOM 191 CG GLN A 12 -7.809 -9.467 1.607 1.00 0.00 C ATOM 192 CD GLN A 12 -7.271 -9.235 3.004 1.00 0.00 C ATOM 193 OE1 GLN A 12 -6.346 -9.915 3.447 1.00 0.00 O ATOM 194 NE2 GLN A 12 -7.851 -8.271 3.706 1.00 0.00 N ATOM 0 H GLN A 12 -6.712 -7.596 -0.378 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.129 -8.891 1.655 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.151 -9.900 -0.381 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.415 -10.902 0.854 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.287 -8.555 1.250 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.579 -10.237 1.642 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.615 -7.732 3.298 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.533 -8.068 4.654 1.00 0.00 H new ATOM 203 N VAL A 13 -4.478 -9.284 -1.544 1.00 0.00 N ATOM 204 CA VAL A 13 -3.477 -9.776 -2.475 1.00 0.00 C ATOM 205 C VAL A 13 -2.167 -9.064 -2.220 1.00 0.00 C ATOM 206 O VAL A 13 -1.163 -9.685 -1.886 1.00 0.00 O ATOM 207 CB VAL A 13 -3.912 -9.557 -3.931 1.00 0.00 C ATOM 208 CG1 VAL A 13 -2.739 -9.722 -4.888 1.00 0.00 C ATOM 209 CG2 VAL A 13 -5.038 -10.510 -4.283 1.00 0.00 C ATOM 0 H VAL A 13 -5.215 -8.723 -1.970 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.357 -10.848 -2.319 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.274 -8.534 -4.033 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.079 -9.561 -5.911 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.965 -8.994 -4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.332 -10.729 -4.795 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.341 -10.349 -5.317 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.696 -11.538 -4.161 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.887 -10.329 -3.624 1.00 0.00 H new ATOM 219 N ILE A 14 -2.198 -7.744 -2.342 1.00 0.00 N ATOM 220 CA ILE A 14 -1.024 -6.928 -2.082 1.00 0.00 C ATOM 221 C ILE A 14 -0.364 -7.390 -0.783 1.00 0.00 C ATOM 222 O ILE A 14 0.854 -7.313 -0.621 1.00 0.00 O ATOM 223 CB ILE A 14 -1.417 -5.434 -1.979 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.938 -4.666 -3.208 1.00 0.00 C ATOM 225 CG2 ILE A 14 -0.874 -4.799 -0.709 1.00 0.00 C ATOM 226 CD1 ILE A 14 -1.764 -3.434 -3.488 1.00 0.00 C ATOM 0 H ILE A 14 -3.026 -7.216 -2.620 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.320 -7.041 -2.906 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.505 -5.382 -1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.103 -4.375 -3.066 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.969 -5.324 -4.077 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.170 -3.751 -0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.276 -5.321 0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.214 -4.870 -0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.376 -2.929 -4.373 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.801 -3.723 -3.660 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.712 -2.759 -2.634 1.00 0.00 H new ATOM 238 N HIS A 15 -1.197 -7.880 0.135 1.00 0.00 N ATOM 239 CA HIS A 15 -0.733 -8.371 1.418 1.00 0.00 C ATOM 240 C HIS A 15 -0.255 -9.819 1.305 1.00 0.00 C ATOM 241 O HIS A 15 0.733 -10.203 1.929 1.00 0.00 O ATOM 242 CB HIS A 15 -1.860 -8.235 2.449 1.00 0.00 C ATOM 243 CG HIS A 15 -1.985 -9.384 3.397 1.00 0.00 C ATOM 244 ND1 HIS A 15 -2.975 -10.333 3.285 1.00 0.00 N ATOM 245 CD2 HIS A 15 -1.250 -9.732 4.478 1.00 0.00 C ATOM 246 CE1 HIS A 15 -2.848 -11.213 4.255 1.00 0.00 C ATOM 247 NE2 HIS A 15 -1.807 -10.875 4.994 1.00 0.00 N ATOM 0 H HIS A 15 -2.207 -7.945 0.005 1.00 0.00 H new ATOM 0 HA HIS A 15 0.118 -7.775 1.747 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.699 -7.323 3.024 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.805 -8.115 1.919 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -0.387 -9.209 4.863 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.487 -12.068 4.419 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.472 -11.381 5.814 1.00 0.00 H new ATOM 256 N LYS A 16 -0.957 -10.621 0.504 1.00 0.00 N ATOM 257 CA LYS A 16 -0.581 -12.020 0.325 1.00 0.00 C ATOM 258 C LYS A 16 0.663 -12.136 -0.553 1.00 0.00 C ATOM 259 O LYS A 16 1.556 -12.939 -0.280 1.00 0.00 O ATOM 260 CB LYS A 16 -1.747 -12.826 -0.267 1.00 0.00 C ATOM 261 CG LYS A 16 -1.832 -12.791 -1.786 1.00 0.00 C ATOM 262 CD LYS A 16 -3.196 -13.247 -2.272 1.00 0.00 C ATOM 263 CE LYS A 16 -3.299 -14.763 -2.308 1.00 0.00 C ATOM 264 NZ LYS A 16 -3.092 -15.302 -3.681 1.00 0.00 N ATOM 0 H LYS A 16 -1.779 -10.329 -0.025 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.345 -12.438 1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.656 -13.863 0.055 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.681 -12.445 0.145 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.637 -11.779 -2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.059 -13.432 -2.211 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.969 -12.845 -1.618 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.381 -12.845 -3.268 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.558 -15.193 -1.634 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.279 -15.069 -1.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.170 -16.339 -3.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.814 -14.912 -4.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.147 -15.032 -4.021 1.00 0.00 H new ATOM 278 N ARG A 17 0.719 -11.319 -1.600 1.00 0.00 N ATOM 279 CA ARG A 17 1.857 -11.317 -2.510 1.00 0.00 C ATOM 280 C ARG A 17 3.105 -10.816 -1.793 1.00 0.00 C ATOM 281 O ARG A 17 4.187 -11.385 -1.936 1.00 0.00 O ATOM 282 CB ARG A 17 1.562 -10.442 -3.731 1.00 0.00 C ATOM 283 CG ARG A 17 1.244 -11.238 -4.986 1.00 0.00 C ATOM 284 CD ARG A 17 1.443 -10.402 -6.240 1.00 0.00 C ATOM 285 NE ARG A 17 2.777 -10.578 -6.810 1.00 0.00 N ATOM 286 CZ ARG A 17 3.132 -11.617 -7.562 1.00 0.00 C ATOM 287 NH1 ARG A 17 2.255 -12.575 -7.839 1.00 0.00 N ATOM 288 NH2 ARG A 17 4.366 -11.700 -8.039 1.00 0.00 N ATOM 0 H ARG A 17 -0.012 -10.649 -1.839 1.00 0.00 H new ATOM 0 HA ARG A 17 2.033 -12.338 -2.848 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.721 -9.787 -3.504 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.422 -9.801 -3.925 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.883 -12.120 -5.030 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.214 -11.592 -4.943 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.693 -10.677 -6.982 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.286 -9.350 -6.003 1.00 0.00 H new ATOM 0 HE ARG A 17 3.478 -9.862 -6.620 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.304 -12.517 -7.475 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.532 -13.369 -8.416 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.044 -10.967 -7.830 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.637 -12.497 -8.615 1.00 0.00 H new ATOM 302 N CYS A 18 2.945 -9.751 -1.012 1.00 0.00 N ATOM 303 CA CYS A 18 4.058 -9.183 -0.263 1.00 0.00 C ATOM 304 C CYS A 18 4.462 -10.121 0.868 1.00 0.00 C ATOM 305 O CYS A 18 5.638 -10.236 1.207 1.00 0.00 O ATOM 306 CB CYS A 18 3.688 -7.803 0.291 1.00 0.00 C ATOM 307 SG CYS A 18 2.686 -7.838 1.796 1.00 0.00 S ATOM 0 H CYS A 18 2.057 -9.266 -0.883 1.00 0.00 H new ATOM 0 HA CYS A 18 4.905 -9.063 -0.938 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.605 -7.250 0.494 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.146 -7.251 -0.477 1.00 0.00 H new ATOM 0 HG CYS A 18 1.969 -8.922 1.815 1.00 0.00 H new ATOM 313 N GLU A 19 3.477 -10.805 1.438 1.00 0.00 N ATOM 314 CA GLU A 19 3.735 -11.746 2.515 1.00 0.00 C ATOM 315 C GLU A 19 4.591 -12.896 2.000 1.00 0.00 C ATOM 316 O GLU A 19 5.378 -13.483 2.742 1.00 0.00 O ATOM 317 CB GLU A 19 2.419 -12.284 3.085 1.00 0.00 C ATOM 318 CG GLU A 19 1.946 -11.546 4.326 1.00 0.00 C ATOM 319 CD GLU A 19 1.188 -12.444 5.284 1.00 0.00 C ATOM 320 OE1 GLU A 19 1.333 -13.680 5.183 1.00 0.00 O ATOM 321 OE2 GLU A 19 0.447 -11.910 6.138 1.00 0.00 O ATOM 0 H GLU A 19 2.496 -10.724 1.172 1.00 0.00 H new ATOM 0 HA GLU A 19 4.270 -11.229 3.312 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.647 -12.219 2.318 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.542 -13.340 3.325 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.807 -11.117 4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.306 -10.715 4.029 1.00 0.00 H new ATOM 328 N GLU A 20 4.429 -13.208 0.717 1.00 0.00 N ATOM 329 CA GLU A 20 5.186 -14.286 0.089 1.00 0.00 C ATOM 330 C GLU A 20 6.430 -13.758 -0.632 1.00 0.00 C ATOM 331 O GLU A 20 7.172 -14.529 -1.242 1.00 0.00 O ATOM 332 CB GLU A 20 4.301 -15.049 -0.898 1.00 0.00 C ATOM 333 CG GLU A 20 3.835 -14.207 -2.074 1.00 0.00 C ATOM 334 CD GLU A 20 3.013 -15.000 -3.070 1.00 0.00 C ATOM 335 OE1 GLU A 20 2.317 -15.946 -2.644 1.00 0.00 O ATOM 336 OE2 GLU A 20 3.064 -14.676 -4.274 1.00 0.00 O ATOM 0 H GLU A 20 3.780 -12.729 0.092 1.00 0.00 H new ATOM 0 HA GLU A 20 5.515 -14.960 0.880 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.851 -15.911 -1.275 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.429 -15.433 -0.369 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.243 -13.370 -1.704 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.703 -13.784 -2.580 1.00 0.00 H new ATOM 343 N MET A 21 6.659 -12.446 -0.563 1.00 0.00 N ATOM 344 CA MET A 21 7.817 -11.837 -1.215 1.00 0.00 C ATOM 345 C MET A 21 9.114 -12.480 -0.744 1.00 0.00 C ATOM 346 O MET A 21 9.326 -12.678 0.452 1.00 0.00 O ATOM 347 CB MET A 21 7.858 -10.331 -0.942 1.00 0.00 C ATOM 348 CG MET A 21 7.293 -9.493 -2.076 1.00 0.00 C ATOM 349 SD MET A 21 8.244 -9.664 -3.597 1.00 0.00 S ATOM 350 CE MET A 21 8.584 -7.951 -3.998 1.00 0.00 C ATOM 0 H MET A 21 6.060 -11.788 -0.064 1.00 0.00 H new ATOM 0 HA MET A 21 7.718 -12.003 -2.288 1.00 0.00 H new ATOM 0 HB2 MET A 21 7.298 -10.120 -0.031 1.00 0.00 H new ATOM 0 HB3 MET A 21 8.890 -10.031 -0.759 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.260 -9.787 -2.262 1.00 0.00 H new ATOM 0 HG3 MET A 21 7.277 -8.445 -1.777 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.506 -7.807 -5.076 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.862 -7.309 -3.493 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.591 -7.693 -3.670 1.00 0.00 H new ATOM 360 N LYS A 22 9.985 -12.796 -1.696 1.00 0.00 N ATOM 361 CA LYS A 22 11.269 -13.405 -1.384 1.00 0.00 C ATOM 362 C LYS A 22 12.355 -12.340 -1.243 1.00 0.00 C ATOM 363 O LYS A 22 13.511 -12.655 -0.958 1.00 0.00 O ATOM 364 CB LYS A 22 11.659 -14.407 -2.471 1.00 0.00 C ATOM 365 CG LYS A 22 12.337 -15.657 -1.932 1.00 0.00 C ATOM 366 CD LYS A 22 11.598 -16.919 -2.348 1.00 0.00 C ATOM 367 CE LYS A 22 11.555 -17.937 -1.219 1.00 0.00 C ATOM 368 NZ LYS A 22 10.305 -18.746 -1.246 1.00 0.00 N ATOM 0 H LYS A 22 9.823 -12.640 -2.691 1.00 0.00 H new ATOM 0 HA LYS A 22 11.174 -13.930 -0.434 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.765 -14.698 -3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.327 -13.919 -3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.364 -15.700 -2.295 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.385 -15.605 -0.844 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.582 -16.664 -2.649 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.087 -17.359 -3.217 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.417 -18.599 -1.295 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.632 -17.421 -0.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.315 -19.427 -0.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.482 -18.117 -1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.243 -19.259 -2.148 1.00 0.00 H new ATOM 382 N TYR A 23 11.980 -11.076 -1.444 1.00 0.00 N ATOM 383 CA TYR A 23 12.931 -9.975 -1.338 1.00 0.00 C ATOM 384 C TYR A 23 12.297 -8.763 -0.663 1.00 0.00 C ATOM 385 O TYR A 23 11.083 -8.572 -0.719 1.00 0.00 O ATOM 386 CB TYR A 23 13.450 -9.589 -2.725 1.00 0.00 C ATOM 387 CG TYR A 23 14.798 -10.191 -3.053 1.00 0.00 C ATOM 388 CD1 TYR A 23 14.899 -11.476 -3.569 1.00 0.00 C ATOM 389 CD2 TYR A 23 15.969 -9.472 -2.845 1.00 0.00 C ATOM 390 CE1 TYR A 23 16.130 -12.030 -3.867 1.00 0.00 C ATOM 391 CE2 TYR A 23 17.203 -10.020 -3.141 1.00 0.00 C ATOM 392 CZ TYR A 23 17.278 -11.297 -3.652 1.00 0.00 C ATOM 393 OH TYR A 23 18.505 -11.846 -3.949 1.00 0.00 O ATOM 0 H TYR A 23 11.029 -10.793 -1.680 1.00 0.00 H new ATOM 0 HA TYR A 23 13.766 -10.310 -0.723 1.00 0.00 H new ATOM 0 HB2 TYR A 23 12.727 -9.906 -3.476 1.00 0.00 H new ATOM 0 HB3 TYR A 23 13.520 -8.503 -2.789 1.00 0.00 H new ATOM 0 HD1 TYR A 23 14.002 -12.052 -3.740 1.00 0.00 H new ATOM 0 HD2 TYR A 23 15.914 -8.470 -2.446 1.00 0.00 H new ATOM 0 HE1 TYR A 23 16.192 -13.032 -4.266 1.00 0.00 H new ATOM 0 HE2 TYR A 23 18.104 -9.449 -2.972 1.00 0.00 H new ATOM 0 HH TYR A 23 19.212 -11.200 -3.741 1.00 0.00 H new ATOM 403 N CYS A 24 13.137 -7.943 -0.029 1.00 0.00 N ATOM 404 CA CYS A 24 12.679 -6.738 0.661 1.00 0.00 C ATOM 405 C CYS A 24 11.384 -6.990 1.431 1.00 0.00 C ATOM 406 O CYS A 24 10.487 -6.146 1.447 1.00 0.00 O ATOM 407 CB CYS A 24 12.475 -5.604 -0.344 1.00 0.00 C ATOM 408 SG CYS A 24 13.957 -5.179 -1.288 1.00 0.00 S ATOM 0 H CYS A 24 14.145 -8.094 0.020 1.00 0.00 H new ATOM 0 HA CYS A 24 13.447 -6.453 1.380 1.00 0.00 H new ATOM 0 HB2 CYS A 24 11.684 -5.886 -1.038 1.00 0.00 H new ATOM 0 HB3 CYS A 24 12.130 -4.718 0.189 1.00 0.00 H new ATOM 0 HG CYS A 24 14.977 -5.106 -0.485 1.00 0.00 H new ATOM 414 N LYS A 25 11.288 -8.156 2.066 1.00 0.00 N ATOM 415 CA LYS A 25 10.094 -8.509 2.829 1.00 0.00 C ATOM 416 C LYS A 25 9.755 -7.438 3.855 1.00 0.00 C ATOM 417 O LYS A 25 8.594 -7.079 4.019 1.00 0.00 O ATOM 418 CB LYS A 25 10.272 -9.846 3.537 1.00 0.00 C ATOM 419 CG LYS A 25 10.634 -10.991 2.605 1.00 0.00 C ATOM 420 CD LYS A 25 11.395 -12.088 3.336 1.00 0.00 C ATOM 421 CE LYS A 25 12.741 -12.364 2.683 1.00 0.00 C ATOM 422 NZ LYS A 25 13.430 -13.529 3.305 1.00 0.00 N ATOM 0 H LYS A 25 12.018 -8.868 2.068 1.00 0.00 H new ATOM 0 HA LYS A 25 9.272 -8.588 2.117 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.051 -9.745 4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.349 -10.095 4.061 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.726 -11.406 2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.240 -10.613 1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.547 -11.796 4.375 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.800 -13.001 3.345 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.597 -12.553 1.619 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.374 -11.480 2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.343 -13.685 2.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.590 -13.339 4.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.838 -14.378 3.202 1.00 0.00 H new ATOM 436 N LYS A 26 10.771 -6.928 4.547 1.00 0.00 N ATOM 437 CA LYS A 26 10.562 -5.893 5.556 1.00 0.00 C ATOM 438 C LYS A 26 9.594 -4.835 5.036 1.00 0.00 C ATOM 439 O LYS A 26 8.531 -4.605 5.615 1.00 0.00 O ATOM 440 CB LYS A 26 11.893 -5.244 5.938 1.00 0.00 C ATOM 441 CG LYS A 26 12.868 -6.203 6.604 1.00 0.00 C ATOM 442 CD LYS A 26 14.287 -5.653 6.595 1.00 0.00 C ATOM 443 CE LYS A 26 15.187 -6.433 5.650 1.00 0.00 C ATOM 444 NZ LYS A 26 16.383 -6.981 6.348 1.00 0.00 N ATOM 0 H LYS A 26 11.743 -7.213 4.428 1.00 0.00 H new ATOM 0 HA LYS A 26 10.132 -6.357 6.443 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.357 -4.831 5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.701 -4.409 6.611 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.555 -6.386 7.632 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.846 -7.163 6.088 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.269 -4.605 6.298 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.698 -5.691 7.604 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.622 -7.250 5.202 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.508 -5.784 4.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.971 -7.506 5.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.937 -6.200 6.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.078 -7.621 7.109 1.00 0.00 H new ATOM 458 N GLN A 27 9.962 -4.214 3.923 1.00 0.00 N ATOM 459 CA GLN A 27 9.123 -3.200 3.306 1.00 0.00 C ATOM 460 C GLN A 27 7.919 -3.847 2.631 1.00 0.00 C ATOM 461 O GLN A 27 6.782 -3.424 2.833 1.00 0.00 O ATOM 462 CB GLN A 27 9.929 -2.395 2.285 1.00 0.00 C ATOM 463 CG GLN A 27 11.248 -1.876 2.829 1.00 0.00 C ATOM 464 CD GLN A 27 12.359 -1.909 1.798 1.00 0.00 C ATOM 465 OE1 GLN A 27 12.828 -2.978 1.408 1.00 0.00 O ATOM 466 NE2 GLN A 27 12.787 -0.734 1.353 1.00 0.00 N ATOM 0 H GLN A 27 10.836 -4.396 3.430 1.00 0.00 H new ATOM 0 HA GLN A 27 8.767 -2.524 4.084 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.125 -3.020 1.414 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.329 -1.552 1.943 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.114 -0.853 3.180 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.541 -2.474 3.692 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.369 0.127 1.704 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.534 -0.693 0.660 1.00 0.00 H new ATOM 475 N CYS A 28 8.173 -4.879 1.829 1.00 0.00 N ATOM 476 CA CYS A 28 7.101 -5.580 1.130 1.00 0.00 C ATOM 477 C CYS A 28 5.982 -5.960 2.096 1.00 0.00 C ATOM 478 O CYS A 28 4.842 -5.522 1.939 1.00 0.00 O ATOM 479 CB CYS A 28 7.642 -6.828 0.432 1.00 0.00 C ATOM 480 SG CYS A 28 8.810 -6.475 -0.904 1.00 0.00 S ATOM 0 H CYS A 28 9.107 -5.246 1.648 1.00 0.00 H new ATOM 0 HA CYS A 28 6.692 -4.907 0.376 1.00 0.00 H new ATOM 0 HB2 CYS A 28 8.132 -7.462 1.171 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.805 -7.398 0.028 1.00 0.00 H new ATOM 0 HG CYS A 28 9.776 -7.345 -0.877 1.00 0.00 H new ATOM 486 N ARG A 29 6.311 -6.769 3.103 1.00 0.00 N ATOM 487 CA ARG A 29 5.325 -7.188 4.093 1.00 0.00 C ATOM 488 C ARG A 29 4.573 -5.983 4.658 1.00 0.00 C ATOM 489 O ARG A 29 3.381 -6.065 4.951 1.00 0.00 O ATOM 490 CB ARG A 29 6.002 -7.976 5.225 1.00 0.00 C ATOM 491 CG ARG A 29 6.661 -7.106 6.289 1.00 0.00 C ATOM 492 CD ARG A 29 7.099 -7.931 7.488 1.00 0.00 C ATOM 493 NE ARG A 29 8.291 -8.726 7.202 1.00 0.00 N ATOM 494 CZ ARG A 29 8.888 -9.514 8.092 1.00 0.00 C ATOM 495 NH1 ARG A 29 8.409 -9.614 9.327 1.00 0.00 N ATOM 496 NH2 ARG A 29 9.968 -10.203 7.750 1.00 0.00 N ATOM 0 H ARG A 29 7.248 -7.144 3.253 1.00 0.00 H new ATOM 0 HA ARG A 29 4.603 -7.838 3.599 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.258 -8.613 5.703 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.756 -8.634 4.793 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.525 -6.597 5.861 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.963 -6.333 6.612 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.299 -7.268 8.330 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.286 -8.592 7.789 1.00 0.00 H new ATOM 0 HE ARG A 29 8.689 -8.674 6.264 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.580 -9.085 9.597 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.871 -10.220 10.006 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.342 -10.129 6.804 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.425 -10.807 8.433 1.00 0.00 H new ATOM 510 N ARG A 30 5.282 -4.865 4.812 1.00 0.00 N ATOM 511 CA ARG A 30 4.682 -3.646 5.347 1.00 0.00 C ATOM 512 C ARG A 30 3.609 -3.095 4.414 1.00 0.00 C ATOM 513 O ARG A 30 2.477 -2.873 4.831 1.00 0.00 O ATOM 514 CB ARG A 30 5.749 -2.578 5.579 1.00 0.00 C ATOM 515 CG ARG A 30 6.292 -2.558 6.999 1.00 0.00 C ATOM 516 CD ARG A 30 7.315 -1.450 7.189 1.00 0.00 C ATOM 517 NE ARG A 30 7.831 -1.410 8.555 1.00 0.00 N ATOM 518 CZ ARG A 30 8.668 -2.314 9.059 1.00 0.00 C ATOM 519 NH1 ARG A 30 9.087 -3.328 8.313 1.00 0.00 N ATOM 520 NH2 ARG A 30 9.089 -2.203 10.312 1.00 0.00 N ATOM 0 H ARG A 30 6.270 -4.779 4.574 1.00 0.00 H new ATOM 0 HA ARG A 30 4.215 -3.906 6.297 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.574 -2.744 4.886 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.329 -1.600 5.346 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.470 -2.420 7.702 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.750 -3.520 7.228 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.141 -1.596 6.493 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.859 -0.490 6.945 1.00 0.00 H new ATOM 0 HE ARG A 30 7.532 -0.644 9.158 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.768 -3.418 7.348 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.728 -4.018 8.704 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.771 -1.425 10.890 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.730 -2.896 10.698 1.00 0.00 H new ATOM 534 N LEU A 31 3.973 -2.863 3.152 1.00 0.00 N ATOM 535 CA LEU A 31 3.032 -2.323 2.170 1.00 0.00 C ATOM 536 C LEU A 31 1.681 -3.018 2.270 1.00 0.00 C ATOM 537 O LEU A 31 0.640 -2.367 2.360 1.00 0.00 O ATOM 538 CB LEU A 31 3.584 -2.478 0.751 1.00 0.00 C ATOM 539 CG LEU A 31 2.679 -1.947 -0.371 1.00 0.00 C ATOM 540 CD1 LEU A 31 2.112 -0.575 -0.016 1.00 0.00 C ATOM 541 CD2 LEU A 31 3.448 -1.884 -1.685 1.00 0.00 C ATOM 0 H LEU A 31 4.909 -3.040 2.787 1.00 0.00 H new ATOM 0 HA LEU A 31 2.899 -1.263 2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.543 -1.964 0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.778 -3.535 0.568 1.00 0.00 H new ATOM 0 HG LEU A 31 1.842 -2.636 -0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.475 -0.223 -0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.525 -0.650 0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.930 0.129 0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.795 -1.506 -2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.304 -1.219 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.796 -2.882 -1.951 1.00 0.00 H new ATOM 553 N GLY A 32 1.707 -4.343 2.260 1.00 0.00 N ATOM 554 CA GLY A 32 0.482 -5.106 2.354 1.00 0.00 C ATOM 555 C GLY A 32 -0.175 -4.980 3.711 1.00 0.00 C ATOM 556 O GLY A 32 -1.350 -4.627 3.806 1.00 0.00 O ATOM 0 H GLY A 32 2.557 -4.903 2.188 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.213 -4.769 1.585 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.695 -6.156 2.153 1.00 0.00 H new ATOM 560 N HIS A 33 0.582 -5.264 4.765 1.00 0.00 N ATOM 561 CA HIS A 33 0.055 -5.174 6.120 1.00 0.00 C ATOM 562 C HIS A 33 -0.458 -3.766 6.399 1.00 0.00 C ATOM 563 O HIS A 33 -1.426 -3.584 7.139 1.00 0.00 O ATOM 564 CB HIS A 33 1.129 -5.558 7.141 1.00 0.00 C ATOM 565 CG HIS A 33 0.617 -6.423 8.252 1.00 0.00 C ATOM 566 ND1 HIS A 33 0.909 -6.194 9.580 1.00 0.00 N ATOM 567 CD2 HIS A 33 -0.176 -7.521 8.226 1.00 0.00 C ATOM 568 CE1 HIS A 33 0.320 -7.115 10.323 1.00 0.00 C ATOM 569 NE2 HIS A 33 -0.344 -7.931 9.526 1.00 0.00 N ATOM 0 H HIS A 33 1.557 -5.557 4.707 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.776 -5.873 6.212 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.937 -6.080 6.628 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.556 -4.650 7.566 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.597 -7.987 7.347 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.373 -7.187 11.399 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.893 -8.736 9.827 1.00 0.00 H new ATOM 578 N ARG A 34 0.176 -2.773 5.782 1.00 0.00 N ATOM 579 CA ARG A 34 -0.243 -1.392 5.946 1.00 0.00 C ATOM 580 C ARG A 34 -1.451 -1.143 5.063 1.00 0.00 C ATOM 581 O ARG A 34 -2.442 -0.548 5.488 1.00 0.00 O ATOM 582 CB ARG A 34 0.895 -0.434 5.592 1.00 0.00 C ATOM 583 CG ARG A 34 1.899 -0.250 6.720 1.00 0.00 C ATOM 584 CD ARG A 34 3.329 -0.401 6.226 1.00 0.00 C ATOM 585 NE ARG A 34 4.247 0.498 6.923 1.00 0.00 N ATOM 586 CZ ARG A 34 4.674 0.302 8.168 1.00 0.00 C ATOM 587 NH1 ARG A 34 4.269 -0.758 8.858 1.00 0.00 N ATOM 588 NH2 ARG A 34 5.509 1.168 8.727 1.00 0.00 N ATOM 0 H ARG A 34 0.979 -2.902 5.166 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.509 -1.212 6.988 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.415 -0.808 4.710 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.475 0.536 5.327 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.770 0.736 7.166 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.705 -0.982 7.504 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.654 -1.432 6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.366 -0.198 5.156 1.00 0.00 H new ATOM 0 HE ARG A 34 4.580 1.324 6.426 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.627 -1.428 8.434 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.600 -0.902 9.812 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.824 1.984 8.203 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.836 1.018 9.681 1.00 0.00 H new ATOM 602 N VAL A 35 -1.370 -1.646 3.834 1.00 0.00 N ATOM 603 CA VAL A 35 -2.471 -1.525 2.890 1.00 0.00 C ATOM 604 C VAL A 35 -3.733 -2.113 3.512 1.00 0.00 C ATOM 605 O VAL A 35 -4.802 -1.506 3.476 1.00 0.00 O ATOM 606 CB VAL A 35 -2.153 -2.256 1.564 1.00 0.00 C ATOM 607 CG1 VAL A 35 -3.427 -2.639 0.822 1.00 0.00 C ATOM 608 CG2 VAL A 35 -1.257 -1.398 0.683 1.00 0.00 C ATOM 0 H VAL A 35 -0.554 -2.140 3.472 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.622 -0.469 2.666 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.622 -3.176 1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.168 -3.151 -0.105 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.027 -3.301 1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.999 -1.740 0.593 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.044 -1.928 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.761 -0.459 0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.323 -1.192 1.206 1.00 0.00 H new ATOM 618 N LEU A 36 -3.584 -3.297 4.105 1.00 0.00 N ATOM 619 CA LEU A 36 -4.695 -3.970 4.763 1.00 0.00 C ATOM 620 C LEU A 36 -5.341 -3.035 5.776 1.00 0.00 C ATOM 621 O LEU A 36 -6.564 -2.946 5.865 1.00 0.00 O ATOM 622 CB LEU A 36 -4.210 -5.237 5.477 1.00 0.00 C ATOM 623 CG LEU A 36 -3.951 -6.446 4.575 1.00 0.00 C ATOM 624 CD1 LEU A 36 -3.723 -7.693 5.414 1.00 0.00 C ATOM 625 CD2 LEU A 36 -5.111 -6.659 3.620 1.00 0.00 C ATOM 0 H LEU A 36 -2.702 -3.808 4.141 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.426 -4.249 4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.290 -5.001 6.012 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.951 -5.517 6.226 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.053 -6.250 3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.540 -8.544 4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.860 -7.542 6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.605 -7.888 6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.908 -7.523 2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.024 -6.833 4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.236 -5.774 2.996 1.00 0.00 H new ATOM 637 N GLY A 37 -4.500 -2.336 6.530 1.00 0.00 N ATOM 638 CA GLY A 37 -4.992 -1.404 7.527 1.00 0.00 C ATOM 639 C GLY A 37 -5.891 -0.346 6.925 1.00 0.00 C ATOM 640 O GLY A 37 -6.786 0.171 7.592 1.00 0.00 O ATOM 0 H GLY A 37 -3.484 -2.399 6.468 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.540 -1.951 8.294 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.148 -0.923 8.021 1.00 0.00 H new ATOM 644 N LEU A 38 -5.657 -0.028 5.655 1.00 0.00 N ATOM 645 CA LEU A 38 -6.459 0.968 4.956 1.00 0.00 C ATOM 646 C LEU A 38 -7.826 0.384 4.626 1.00 0.00 C ATOM 647 O LEU A 38 -8.838 1.084 4.631 1.00 0.00 O ATOM 648 CB LEU A 38 -5.759 1.422 3.675 1.00 0.00 C ATOM 649 CG LEU A 38 -4.466 2.211 3.886 1.00 0.00 C ATOM 650 CD1 LEU A 38 -3.888 2.649 2.550 1.00 0.00 C ATOM 651 CD2 LEU A 38 -4.715 3.418 4.782 1.00 0.00 C ATOM 0 H LEU A 38 -4.918 -0.446 5.090 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.583 1.836 5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.535 0.543 3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.451 2.036 3.099 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.743 1.562 4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.968 3.209 2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.672 1.771 1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.609 3.281 2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.783 3.967 4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.454 4.070 4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.085 3.082 5.750 1.00 0.00 H new ATOM 663 N ILE A 39 -7.838 -0.918 4.357 1.00 0.00 N ATOM 664 CA ILE A 39 -9.063 -1.632 4.041 1.00 0.00 C ATOM 665 C ILE A 39 -9.718 -2.144 5.324 1.00 0.00 C ATOM 666 O ILE A 39 -10.893 -2.511 5.334 1.00 0.00 O ATOM 667 CB ILE A 39 -8.792 -2.811 3.062 1.00 0.00 C ATOM 668 CG1 ILE A 39 -8.887 -4.171 3.766 1.00 0.00 C ATOM 669 CG2 ILE A 39 -7.424 -2.663 2.412 1.00 0.00 C ATOM 670 CD1 ILE A 39 -8.511 -5.343 2.877 1.00 0.00 C ATOM 0 H ILE A 39 -7.002 -1.502 4.353 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.743 -0.938 3.547 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.564 -2.774 2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.235 -4.165 4.640 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.905 -4.313 4.129 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.253 -3.497 1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.385 -1.726 1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.653 -2.660 3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.601 -6.271 3.441 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.178 -5.375 2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.483 -5.225 2.535 1.00 0.00 H new ATOM 682 N LYS A 40 -8.936 -2.167 6.402 1.00 0.00 N ATOM 683 CA LYS A 40 -9.420 -2.637 7.700 1.00 0.00 C ATOM 684 C LYS A 40 -10.707 -1.922 8.121 1.00 0.00 C ATOM 685 O LYS A 40 -11.748 -2.558 8.278 1.00 0.00 O ATOM 686 CB LYS A 40 -8.345 -2.444 8.772 1.00 0.00 C ATOM 687 CG LYS A 40 -7.342 -3.586 8.849 1.00 0.00 C ATOM 688 CD LYS A 40 -8.032 -4.929 9.026 1.00 0.00 C ATOM 689 CE LYS A 40 -7.148 -5.917 9.771 1.00 0.00 C ATOM 690 NZ LYS A 40 -7.896 -6.642 10.835 1.00 0.00 N ATOM 0 H LYS A 40 -7.962 -1.865 6.402 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.644 -3.699 7.598 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.810 -1.516 8.573 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.829 -2.332 9.742 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.740 -3.603 7.941 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.659 -3.415 9.681 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.965 -4.790 9.572 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.292 -5.337 8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.733 -6.636 9.065 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.307 -5.386 10.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.257 -7.305 11.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.270 -5.958 11.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.684 -7.170 10.408 1.00 0.00 H new ATOM 704 N PRO A 41 -10.659 -0.590 8.322 1.00 0.00 N ATOM 705 CA PRO A 41 -11.838 0.178 8.736 1.00 0.00 C ATOM 706 C PRO A 41 -12.983 0.054 7.742 1.00 0.00 C ATOM 707 O PRO A 41 -14.153 0.058 8.128 1.00 0.00 O ATOM 708 CB PRO A 41 -11.339 1.627 8.814 1.00 0.00 C ATOM 709 CG PRO A 41 -10.045 1.651 8.071 1.00 0.00 C ATOM 710 CD PRO A 41 -9.470 0.262 8.170 1.00 0.00 C ATOM 0 HA PRO A 41 -12.240 -0.185 9.682 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -12.059 2.313 8.368 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.201 1.938 9.850 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.201 1.933 7.030 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.364 2.385 8.502 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.899 -0.001 7.280 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.796 0.166 9.021 1.00 0.00 H new ATOM 718 N LEU A 42 -12.648 -0.070 6.463 1.00 0.00 N ATOM 719 CA LEU A 42 -13.664 -0.211 5.430 1.00 0.00 C ATOM 720 C LEU A 42 -14.464 -1.483 5.651 1.00 0.00 C ATOM 721 O LEU A 42 -15.685 -1.493 5.513 1.00 0.00 O ATOM 722 CB LEU A 42 -13.028 -0.249 4.045 1.00 0.00 C ATOM 723 CG LEU A 42 -12.030 0.865 3.752 1.00 0.00 C ATOM 724 CD1 LEU A 42 -11.289 0.564 2.462 1.00 0.00 C ATOM 725 CD2 LEU A 42 -12.736 2.210 3.668 1.00 0.00 C ATOM 0 H LEU A 42 -11.688 -0.076 6.119 1.00 0.00 H new ATOM 0 HA LEU A 42 -14.327 0.652 5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.523 -1.207 3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.821 -0.208 3.299 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.309 0.917 4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.577 1.363 2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.755 -0.381 2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.002 0.494 1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.006 2.992 3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -13.478 2.182 2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.231 2.421 4.616 1.00 0.00 H new ATOM 737 N GLU A 43 -13.766 -2.558 6.003 1.00 0.00 N ATOM 738 CA GLU A 43 -14.412 -3.837 6.250 1.00 0.00 C ATOM 739 C GLU A 43 -15.568 -3.666 7.231 1.00 0.00 C ATOM 740 O GLU A 43 -16.555 -4.392 7.177 1.00 0.00 O ATOM 741 CB GLU A 43 -13.406 -4.853 6.791 1.00 0.00 C ATOM 742 CG GLU A 43 -12.535 -5.481 5.715 1.00 0.00 C ATOM 743 CD GLU A 43 -12.832 -6.953 5.508 1.00 0.00 C ATOM 744 OE1 GLU A 43 -14.025 -7.319 5.475 1.00 0.00 O ATOM 745 OE2 GLU A 43 -11.871 -7.740 5.379 1.00 0.00 O ATOM 0 H GLU A 43 -12.753 -2.566 6.123 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.806 -4.211 5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.766 -4.362 7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.945 -5.642 7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.685 -4.949 4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.486 -5.361 5.986 1.00 0.00 H new ATOM 752 N MET A 44 -15.439 -2.689 8.122 1.00 0.00 N ATOM 753 CA MET A 44 -16.483 -2.414 9.100 1.00 0.00 C ATOM 754 C MET A 44 -17.538 -1.484 8.509 1.00 0.00 C ATOM 755 O MET A 44 -18.677 -1.443 8.973 1.00 0.00 O ATOM 756 CB MET A 44 -15.878 -1.784 10.357 1.00 0.00 C ATOM 757 CG MET A 44 -15.127 -2.774 11.234 1.00 0.00 C ATOM 758 SD MET A 44 -14.142 -1.963 12.508 1.00 0.00 S ATOM 759 CE MET A 44 -12.587 -1.746 11.649 1.00 0.00 C ATOM 0 H MET A 44 -14.625 -2.077 8.187 1.00 0.00 H new ATOM 0 HA MET A 44 -16.959 -3.357 9.369 1.00 0.00 H new ATOM 0 HB2 MET A 44 -15.198 -0.985 10.061 1.00 0.00 H new ATOM 0 HB3 MET A 44 -16.675 -1.325 10.942 1.00 0.00 H new ATOM 0 HG2 MET A 44 -15.840 -3.449 11.706 1.00 0.00 H new ATOM 0 HG3 MET A 44 -14.475 -3.385 10.610 1.00 0.00 H new ATOM 0 HE1 MET A 44 -11.838 -2.411 12.079 1.00 0.00 H new ATOM 0 HE2 MET A 44 -12.719 -1.982 10.593 1.00 0.00 H new ATOM 0 HE3 MET A 44 -12.256 -0.712 11.751 1.00 0.00 H new ATOM 769 N LEU A 45 -17.142 -0.726 7.490 1.00 0.00 N ATOM 770 CA LEU A 45 -18.038 0.219 6.834 1.00 0.00 C ATOM 771 C LEU A 45 -18.776 -0.406 5.646 1.00 0.00 C ATOM 772 O LEU A 45 -20.006 -0.421 5.609 1.00 0.00 O ATOM 773 CB LEU A 45 -17.245 1.440 6.362 1.00 0.00 C ATOM 774 CG LEU A 45 -17.547 2.741 7.106 1.00 0.00 C ATOM 775 CD1 LEU A 45 -16.653 2.875 8.329 1.00 0.00 C ATOM 776 CD2 LEU A 45 -17.371 3.934 6.180 1.00 0.00 C ATOM 0 H LEU A 45 -16.200 -0.749 7.099 1.00 0.00 H new ATOM 0 HA LEU A 45 -18.789 0.517 7.566 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.181 1.223 6.461 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -17.442 1.593 5.301 1.00 0.00 H new ATOM 0 HG LEU A 45 -18.584 2.716 7.441 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -16.882 3.807 8.846 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -16.827 2.035 9.001 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -15.609 2.880 8.017 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -17.590 4.853 6.724 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -16.344 3.964 5.816 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -18.053 3.842 5.335 1.00 0.00 H new ATOM 788 N GLN A 46 -18.018 -0.882 4.658 1.00 0.00 N ATOM 789 CA GLN A 46 -18.604 -1.461 3.449 1.00 0.00 C ATOM 790 C GLN A 46 -19.158 -2.873 3.660 1.00 0.00 C ATOM 791 O GLN A 46 -20.277 -3.167 3.237 1.00 0.00 O ATOM 792 CB GLN A 46 -17.575 -1.469 2.316 1.00 0.00 C ATOM 793 CG GLN A 46 -16.417 -2.428 2.540 1.00 0.00 C ATOM 794 CD GLN A 46 -16.702 -3.822 2.016 1.00 0.00 C ATOM 795 OE1 GLN A 46 -17.216 -3.988 0.910 1.00 0.00 O ATOM 796 NE2 GLN A 46 -16.370 -4.833 2.811 1.00 0.00 N ATOM 0 H GLN A 46 -16.998 -0.878 4.671 1.00 0.00 H new ATOM 0 HA GLN A 46 -19.451 -0.828 3.182 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -18.077 -1.733 1.385 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -17.180 -0.461 2.191 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -15.526 -2.035 2.051 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -16.197 -2.483 3.606 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.946 -4.649 3.720 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -16.539 -5.793 2.512 1.00 0.00 H new ATOM 805 N ASP A 47 -18.377 -3.753 4.280 1.00 0.00 N ATOM 806 CA ASP A 47 -18.814 -5.135 4.497 1.00 0.00 C ATOM 807 C ASP A 47 -20.235 -5.205 5.058 1.00 0.00 C ATOM 808 O ASP A 47 -21.166 -5.598 4.355 1.00 0.00 O ATOM 809 CB ASP A 47 -17.849 -5.872 5.425 1.00 0.00 C ATOM 810 CG ASP A 47 -17.813 -7.364 5.156 1.00 0.00 C ATOM 811 OD1 ASP A 47 -18.659 -8.089 5.719 1.00 0.00 O ATOM 812 OD2 ASP A 47 -16.940 -7.806 4.378 1.00 0.00 O ATOM 0 H ASP A 47 -17.446 -3.540 4.639 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.815 -5.624 3.523 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.847 -5.460 5.304 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -18.142 -5.699 6.461 1.00 0.00 H new ATOM 928 N SER A 55 -21.026 8.011 -4.432 1.00 0.00 N ATOM 929 CA SER A 55 -20.920 9.369 -4.958 1.00 0.00 C ATOM 930 C SER A 55 -19.798 9.472 -5.987 1.00 0.00 C ATOM 931 O SER A 55 -18.934 8.599 -6.067 1.00 0.00 O ATOM 932 CB SER A 55 -20.672 10.360 -3.818 1.00 0.00 C ATOM 933 OG SER A 55 -21.893 10.879 -3.320 1.00 0.00 O ATOM 0 HA SER A 55 -21.861 9.615 -5.450 1.00 0.00 H new ATOM 0 HB2 SER A 55 -20.128 9.865 -3.013 1.00 0.00 H new ATOM 0 HB3 SER A 55 -20.043 11.177 -4.172 1.00 0.00 H new ATOM 0 HG SER A 55 -22.579 10.180 -3.343 1.00 0.00 H new ATOM 939 N GLU A 56 -19.820 10.543 -6.773 1.00 0.00 N ATOM 940 CA GLU A 56 -18.807 10.759 -7.798 1.00 0.00 C ATOM 941 C GLU A 56 -17.437 10.993 -7.169 1.00 0.00 C ATOM 942 O GLU A 56 -16.411 10.645 -7.751 1.00 0.00 O ATOM 943 CB GLU A 56 -19.188 11.951 -8.678 1.00 0.00 C ATOM 944 CG GLU A 56 -18.186 12.236 -9.785 1.00 0.00 C ATOM 945 CD GLU A 56 -17.463 13.556 -9.594 1.00 0.00 C ATOM 946 OE1 GLU A 56 -18.146 14.584 -9.406 1.00 0.00 O ATOM 947 OE2 GLU A 56 -16.215 13.561 -9.635 1.00 0.00 O ATOM 0 H GLU A 56 -20.529 11.275 -6.719 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.754 9.863 -8.416 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -20.165 11.765 -9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.286 12.838 -8.052 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.455 11.428 -9.825 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.703 12.245 -10.744 1.00 0.00 H new ATOM 954 N LYS A 57 -17.429 11.584 -5.978 1.00 0.00 N ATOM 955 CA LYS A 57 -16.185 11.865 -5.273 1.00 0.00 C ATOM 956 C LYS A 57 -15.656 10.617 -4.574 1.00 0.00 C ATOM 957 O LYS A 57 -14.470 10.303 -4.659 1.00 0.00 O ATOM 958 CB LYS A 57 -16.395 12.981 -4.249 1.00 0.00 C ATOM 959 CG LYS A 57 -16.516 14.363 -4.870 1.00 0.00 C ATOM 960 CD LYS A 57 -15.991 15.440 -3.935 1.00 0.00 C ATOM 961 CE LYS A 57 -14.489 15.617 -4.076 1.00 0.00 C ATOM 962 NZ LYS A 57 -13.901 16.331 -2.908 1.00 0.00 N ATOM 0 H LYS A 57 -18.271 11.877 -5.482 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.449 12.187 -6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.297 12.770 -3.674 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.562 12.979 -3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.961 14.392 -5.808 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -17.560 14.565 -5.110 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.491 16.384 -4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.232 15.178 -2.905 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.017 14.640 -4.180 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.273 16.174 -4.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.673 17.309 -3.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.586 16.339 -2.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.034 15.844 -2.604 1.00 0.00 H new ATOM 976 N LEU A 58 -16.543 9.907 -3.883 1.00 0.00 N ATOM 977 CA LEU A 58 -16.157 8.694 -3.173 1.00 0.00 C ATOM 978 C LEU A 58 -15.571 7.670 -4.135 1.00 0.00 C ATOM 979 O LEU A 58 -14.480 7.144 -3.910 1.00 0.00 O ATOM 980 CB LEU A 58 -17.362 8.095 -2.444 1.00 0.00 C ATOM 981 CG LEU A 58 -17.096 6.770 -1.723 1.00 0.00 C ATOM 982 CD1 LEU A 58 -15.832 6.861 -0.881 1.00 0.00 C ATOM 983 CD2 LEU A 58 -18.287 6.386 -0.858 1.00 0.00 C ATOM 0 H LEU A 58 -17.530 10.150 -3.800 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.395 8.959 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -17.723 8.821 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -18.164 7.943 -3.166 1.00 0.00 H new ATOM 0 HG LEU A 58 -16.951 5.994 -2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.661 5.910 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -14.982 7.089 -1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -15.946 7.650 -0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -18.081 5.442 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -18.463 7.164 -0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -19.172 6.276 -1.485 1.00 0.00 H new ATOM 995 N THR A 59 -16.299 7.393 -5.212 1.00 0.00 N ATOM 996 CA THR A 59 -15.846 6.435 -6.212 1.00 0.00 C ATOM 997 C THR A 59 -14.491 6.849 -6.779 1.00 0.00 C ATOM 998 O THR A 59 -13.622 6.009 -7.005 1.00 0.00 O ATOM 999 CB THR A 59 -16.876 6.317 -7.340 1.00 0.00 C ATOM 1000 OG1 THR A 59 -16.625 5.167 -8.128 1.00 0.00 O ATOM 1001 CG2 THR A 59 -16.894 7.513 -8.269 1.00 0.00 C ATOM 0 H THR A 59 -17.204 7.818 -5.414 1.00 0.00 H new ATOM 0 HA THR A 59 -15.737 5.463 -5.731 1.00 0.00 H new ATOM 0 HB THR A 59 -17.842 6.254 -6.840 1.00 0.00 H new ATOM 0 HG1 THR A 59 -17.293 5.108 -8.842 1.00 0.00 H new ATOM 0 HG21 THR A 59 -17.646 7.361 -9.043 1.00 0.00 H new ATOM 0 HG22 THR A 59 -17.134 8.412 -7.701 1.00 0.00 H new ATOM 0 HG23 THR A 59 -15.914 7.628 -8.733 1.00 0.00 H new ATOM 1009 N THR A 60 -14.316 8.151 -7.001 1.00 0.00 N ATOM 1010 CA THR A 60 -13.062 8.670 -7.535 1.00 0.00 C ATOM 1011 C THR A 60 -11.911 8.357 -6.584 1.00 0.00 C ATOM 1012 O THR A 60 -10.799 8.055 -7.016 1.00 0.00 O ATOM 1013 CB THR A 60 -13.174 10.181 -7.793 1.00 0.00 C ATOM 1014 OG1 THR A 60 -12.652 10.509 -9.067 1.00 0.00 O ATOM 1015 CG2 THR A 60 -12.455 11.042 -6.774 1.00 0.00 C ATOM 0 H THR A 60 -15.025 8.862 -6.820 1.00 0.00 H new ATOM 0 HA THR A 60 -12.856 8.181 -8.487 1.00 0.00 H new ATOM 0 HB THR A 60 -14.241 10.394 -7.723 1.00 0.00 H new ATOM 0 HG1 THR A 60 -12.733 11.474 -9.215 1.00 0.00 H new ATOM 0 HG21 THR A 60 -12.584 12.094 -7.030 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.870 10.856 -5.783 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.393 10.796 -6.775 1.00 0.00 H new ATOM 1023 N ALA A 61 -12.197 8.404 -5.286 1.00 0.00 N ATOM 1024 CA ALA A 61 -11.194 8.097 -4.277 1.00 0.00 C ATOM 1025 C ALA A 61 -10.922 6.608 -4.291 1.00 0.00 C ATOM 1026 O ALA A 61 -9.777 6.165 -4.373 1.00 0.00 O ATOM 1027 CB ALA A 61 -11.665 8.531 -2.901 1.00 0.00 C ATOM 0 H ALA A 61 -13.113 8.651 -4.911 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.278 8.641 -4.505 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.900 8.292 -2.162 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.846 9.606 -2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.588 8.007 -2.650 1.00 0.00 H new ATOM 1033 N MET A 62 -12.004 5.844 -4.247 1.00 0.00 N ATOM 1034 CA MET A 62 -11.930 4.403 -4.293 1.00 0.00 C ATOM 1035 C MET A 62 -11.257 3.981 -5.592 1.00 0.00 C ATOM 1036 O MET A 62 -10.557 2.970 -5.647 1.00 0.00 O ATOM 1037 CB MET A 62 -13.338 3.829 -4.204 1.00 0.00 C ATOM 1038 CG MET A 62 -14.200 4.495 -3.142 1.00 0.00 C ATOM 1039 SD MET A 62 -14.874 3.326 -1.949 1.00 0.00 S ATOM 1040 CE MET A 62 -15.403 2.025 -3.053 1.00 0.00 C ATOM 0 H MET A 62 -12.953 6.211 -4.179 1.00 0.00 H new ATOM 0 HA MET A 62 -11.344 4.025 -3.455 1.00 0.00 H new ATOM 0 HB2 MET A 62 -13.826 3.932 -5.173 1.00 0.00 H new ATOM 0 HB3 MET A 62 -13.274 2.762 -3.992 1.00 0.00 H new ATOM 0 HG2 MET A 62 -13.606 5.242 -2.615 1.00 0.00 H new ATOM 0 HG3 MET A 62 -15.020 5.025 -3.627 1.00 0.00 H new ATOM 0 HE1 MET A 62 -16.263 1.511 -2.624 1.00 0.00 H new ATOM 0 HE2 MET A 62 -15.680 2.455 -4.016 1.00 0.00 H new ATOM 0 HE3 MET A 62 -14.589 1.314 -3.194 1.00 0.00 H new ATOM 1050 N ASN A 63 -11.455 4.792 -6.631 1.00 0.00 N ATOM 1051 CA ASN A 63 -10.847 4.531 -7.926 1.00 0.00 C ATOM 1052 C ASN A 63 -9.346 4.716 -7.805 1.00 0.00 C ATOM 1053 O ASN A 63 -8.566 3.828 -8.148 1.00 0.00 O ATOM 1054 CB ASN A 63 -11.412 5.473 -8.992 1.00 0.00 C ATOM 1055 CG ASN A 63 -12.678 4.937 -9.630 1.00 0.00 C ATOM 1056 OD1 ASN A 63 -12.694 3.832 -10.174 1.00 0.00 O ATOM 1057 ND2 ASN A 63 -13.749 5.720 -9.568 1.00 0.00 N ATOM 0 H ASN A 63 -12.032 5.633 -6.597 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.072 3.509 -8.231 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -11.619 6.444 -8.541 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -10.660 5.634 -9.765 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -14.630 5.413 -9.981 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.691 6.628 -9.107 1.00 0.00 H new ATOM 1064 N ARG A 64 -8.953 5.865 -7.266 1.00 0.00 N ATOM 1065 CA ARG A 64 -7.549 6.159 -7.042 1.00 0.00 C ATOM 1066 C ARG A 64 -6.973 5.114 -6.100 1.00 0.00 C ATOM 1067 O ARG A 64 -5.810 4.735 -6.200 1.00 0.00 O ATOM 1068 CB ARG A 64 -7.385 7.552 -6.431 1.00 0.00 C ATOM 1069 CG ARG A 64 -7.025 8.626 -7.439 1.00 0.00 C ATOM 1070 CD ARG A 64 -8.268 9.281 -8.020 1.00 0.00 C ATOM 1071 NE ARG A 64 -7.955 10.140 -9.159 1.00 0.00 N ATOM 1072 CZ ARG A 64 -7.479 11.377 -9.044 1.00 0.00 C ATOM 1073 NH1 ARG A 64 -7.252 11.901 -7.846 1.00 0.00 N ATOM 1074 NH2 ARG A 64 -7.226 12.093 -10.132 1.00 0.00 N ATOM 0 H ARG A 64 -9.591 6.607 -6.977 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.019 6.136 -7.994 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.314 7.831 -5.933 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.611 7.513 -5.664 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.403 9.383 -6.960 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.433 8.189 -8.243 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.972 8.509 -8.331 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.762 9.870 -7.247 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.110 9.770 -10.097 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.443 11.355 -7.006 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.887 12.850 -7.765 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.396 11.695 -11.056 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.861 13.041 -10.045 1.00 0.00 H new ATOM 1088 N PHE A 65 -7.821 4.657 -5.180 1.00 0.00 N ATOM 1089 CA PHE A 65 -7.444 3.651 -4.199 1.00 0.00 C ATOM 1090 C PHE A 65 -7.173 2.320 -4.883 1.00 0.00 C ATOM 1091 O PHE A 65 -6.060 1.795 -4.832 1.00 0.00 O ATOM 1092 CB PHE A 65 -8.575 3.504 -3.185 1.00 0.00 C ATOM 1093 CG PHE A 65 -8.181 2.899 -1.868 1.00 0.00 C ATOM 1094 CD1 PHE A 65 -6.858 2.864 -1.437 1.00 0.00 C ATOM 1095 CD2 PHE A 65 -9.161 2.370 -1.051 1.00 0.00 C ATOM 1096 CE1 PHE A 65 -6.534 2.305 -0.215 1.00 0.00 C ATOM 1097 CE2 PHE A 65 -8.844 1.815 0.168 1.00 0.00 C ATOM 1098 CZ PHE A 65 -7.528 1.779 0.588 1.00 0.00 C ATOM 0 H PHE A 65 -8.786 4.976 -5.097 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.532 3.962 -3.689 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.005 4.488 -3.000 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -9.360 2.891 -3.627 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.079 3.276 -2.062 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.191 2.392 -1.374 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.505 2.279 0.112 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.623 1.408 0.796 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.277 1.340 1.542 1.00 0.00 H new ATOM 1108 N LYS A 66 -8.198 1.790 -5.536 1.00 0.00 N ATOM 1109 CA LYS A 66 -8.087 0.529 -6.249 1.00 0.00 C ATOM 1110 C LYS A 66 -6.937 0.585 -7.254 1.00 0.00 C ATOM 1111 O LYS A 66 -6.226 -0.399 -7.456 1.00 0.00 O ATOM 1112 CB LYS A 66 -9.432 0.220 -6.925 1.00 0.00 C ATOM 1113 CG LYS A 66 -9.341 -0.502 -8.253 1.00 0.00 C ATOM 1114 CD LYS A 66 -9.514 0.456 -9.422 1.00 0.00 C ATOM 1115 CE LYS A 66 -8.259 0.532 -10.278 1.00 0.00 C ATOM 1116 NZ LYS A 66 -8.575 0.484 -11.732 1.00 0.00 N ATOM 0 H LYS A 66 -9.122 2.219 -5.585 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.859 -0.278 -5.553 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.032 -0.383 -6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.967 1.157 -7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.376 -1.002 -8.331 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.106 -1.277 -8.300 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.354 0.132 -10.036 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.758 1.449 -9.045 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.722 1.453 -10.054 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.595 -0.294 -10.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.693 0.538 -12.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.065 -0.407 -11.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.188 1.287 -11.981 1.00 0.00 H new ATOM 1130 N ALA A 67 -6.745 1.752 -7.859 1.00 0.00 N ATOM 1131 CA ALA A 67 -5.664 1.943 -8.817 1.00 0.00 C ATOM 1132 C ALA A 67 -4.332 2.088 -8.088 1.00 0.00 C ATOM 1133 O ALA A 67 -3.334 1.466 -8.456 1.00 0.00 O ATOM 1134 CB ALA A 67 -5.933 3.160 -9.689 1.00 0.00 C ATOM 0 H ALA A 67 -7.323 2.578 -7.703 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.612 1.066 -9.462 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.115 3.287 -10.398 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.867 3.018 -10.233 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.010 4.048 -9.061 1.00 0.00 H new ATOM 1140 N ALA A 68 -4.329 2.905 -7.038 1.00 0.00 N ATOM 1141 CA ALA A 68 -3.129 3.122 -6.242 1.00 0.00 C ATOM 1142 C ALA A 68 -2.582 1.790 -5.751 1.00 0.00 C ATOM 1143 O ALA A 68 -1.371 1.596 -5.658 1.00 0.00 O ATOM 1144 CB ALA A 68 -3.425 4.046 -5.069 1.00 0.00 C ATOM 0 H ALA A 68 -5.146 3.427 -6.720 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.375 3.600 -6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.516 4.196 -4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.779 5.007 -5.443 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.192 3.598 -4.437 1.00 0.00 H new ATOM 1150 N LEU A 69 -3.492 0.868 -5.458 1.00 0.00 N ATOM 1151 CA LEU A 69 -3.110 -0.458 -5.002 1.00 0.00 C ATOM 1152 C LEU A 69 -2.322 -1.168 -6.086 1.00 0.00 C ATOM 1153 O LEU A 69 -1.231 -1.680 -5.840 1.00 0.00 O ATOM 1154 CB LEU A 69 -4.347 -1.269 -4.634 1.00 0.00 C ATOM 1155 CG LEU A 69 -4.899 -0.980 -3.245 1.00 0.00 C ATOM 1156 CD1 LEU A 69 -6.407 -1.179 -3.213 1.00 0.00 C ATOM 1157 CD2 LEU A 69 -4.213 -1.858 -2.215 1.00 0.00 C ATOM 0 H LEU A 69 -4.499 1.017 -5.529 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.485 -0.359 -4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.127 -1.073 -5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.104 -2.330 -4.702 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.695 0.062 -2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.781 -0.967 -2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.878 -0.503 -3.927 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.644 -2.209 -3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.617 -1.642 -1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.387 -2.906 -2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.142 -1.657 -2.222 1.00 0.00 H new ATOM 1169 N GLU A 70 -2.875 -1.175 -7.298 1.00 0.00 N ATOM 1170 CA GLU A 70 -2.211 -1.802 -8.434 1.00 0.00 C ATOM 1171 C GLU A 70 -0.742 -1.409 -8.449 1.00 0.00 C ATOM 1172 O GLU A 70 0.119 -2.193 -8.845 1.00 0.00 O ATOM 1173 CB GLU A 70 -2.883 -1.395 -9.747 1.00 0.00 C ATOM 1174 CG GLU A 70 -4.121 -2.214 -10.077 1.00 0.00 C ATOM 1175 CD GLU A 70 -4.868 -1.679 -11.283 1.00 0.00 C ATOM 1176 OE1 GLU A 70 -4.695 -0.486 -11.608 1.00 0.00 O ATOM 1177 OE2 GLU A 70 -5.626 -2.454 -11.903 1.00 0.00 O ATOM 0 H GLU A 70 -3.778 -0.754 -7.516 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.292 -2.884 -8.334 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.158 -0.342 -9.693 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.164 -1.496 -10.560 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.830 -3.248 -10.264 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.788 -2.222 -9.215 1.00 0.00 H new ATOM 1184 N GLU A 71 -0.461 -0.194 -7.980 1.00 0.00 N ATOM 1185 CA GLU A 71 0.910 0.282 -7.905 1.00 0.00 C ATOM 1186 C GLU A 71 1.683 -0.568 -6.906 1.00 0.00 C ATOM 1187 O GLU A 71 2.721 -1.135 -7.236 1.00 0.00 O ATOM 1188 CB GLU A 71 0.960 1.752 -7.497 1.00 0.00 C ATOM 1189 CG GLU A 71 2.339 2.367 -7.652 1.00 0.00 C ATOM 1190 CD GLU A 71 2.657 2.732 -9.089 1.00 0.00 C ATOM 1191 OE1 GLU A 71 1.738 3.190 -9.802 1.00 0.00 O ATOM 1192 OE2 GLU A 71 3.823 2.559 -9.501 1.00 0.00 O ATOM 0 H GLU A 71 -1.161 0.470 -7.650 1.00 0.00 H new ATOM 0 HA GLU A 71 1.366 0.195 -8.891 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.248 2.315 -8.101 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.642 1.846 -6.459 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.406 3.260 -7.031 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.089 1.666 -7.285 1.00 0.00 H new ATOM 1199 N ALA A 72 1.152 -0.677 -5.686 1.00 0.00 N ATOM 1200 CA ALA A 72 1.784 -1.490 -4.658 1.00 0.00 C ATOM 1201 C ALA A 72 1.870 -2.937 -5.127 1.00 0.00 C ATOM 1202 O ALA A 72 2.941 -3.543 -5.115 1.00 0.00 O ATOM 1203 CB ALA A 72 1.008 -1.396 -3.354 1.00 0.00 C ATOM 0 H ALA A 72 0.292 -0.214 -5.392 1.00 0.00 H new ATOM 0 HA ALA A 72 2.792 -1.116 -4.480 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.494 -2.010 -2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.983 -0.359 -3.020 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.010 -1.752 -3.510 1.00 0.00 H new ATOM 1209 N ASN A 73 0.732 -3.479 -5.559 1.00 0.00 N ATOM 1210 CA ASN A 73 0.681 -4.849 -6.057 1.00 0.00 C ATOM 1211 C ASN A 73 1.638 -5.014 -7.231 1.00 0.00 C ATOM 1212 O ASN A 73 2.243 -6.071 -7.414 1.00 0.00 O ATOM 1213 CB ASN A 73 -0.740 -5.212 -6.493 1.00 0.00 C ATOM 1214 CG ASN A 73 -1.031 -6.691 -6.337 1.00 0.00 C ATOM 1215 OD1 ASN A 73 -0.464 -7.360 -5.473 1.00 0.00 O ATOM 1216 ND2 ASN A 73 -1.920 -7.211 -7.175 1.00 0.00 N ATOM 0 H ASN A 73 -0.163 -2.991 -5.573 1.00 0.00 H new ATOM 0 HA ASN A 73 0.981 -5.519 -5.251 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.456 -4.639 -5.903 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.882 -4.924 -7.535 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.157 -8.202 -7.117 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.366 -6.620 -7.876 1.00 0.00 H new ATOM 1223 N GLY A 74 1.775 -3.952 -8.019 1.00 0.00 N ATOM 1224 CA GLY A 74 2.667 -3.985 -9.161 1.00 0.00 C ATOM 1225 C GLY A 74 4.114 -3.864 -8.739 1.00 0.00 C ATOM 1226 O GLY A 74 4.987 -4.547 -9.274 1.00 0.00 O ATOM 0 H GLY A 74 1.283 -3.069 -7.886 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.524 -4.916 -9.709 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.417 -3.172 -9.843 1.00 0.00 H new ATOM 1230 N GLU A 75 4.363 -3.000 -7.760 1.00 0.00 N ATOM 1231 CA GLU A 75 5.706 -2.797 -7.244 1.00 0.00 C ATOM 1232 C GLU A 75 6.178 -4.063 -6.540 1.00 0.00 C ATOM 1233 O GLU A 75 7.325 -4.484 -6.690 1.00 0.00 O ATOM 1234 CB GLU A 75 5.734 -1.603 -6.281 1.00 0.00 C ATOM 1235 CG GLU A 75 5.623 -0.257 -6.979 1.00 0.00 C ATOM 1236 CD GLU A 75 6.960 0.253 -7.477 1.00 0.00 C ATOM 1237 OE1 GLU A 75 7.759 -0.565 -7.979 1.00 0.00 O ATOM 1238 OE2 GLU A 75 7.209 1.472 -7.364 1.00 0.00 O ATOM 0 H GLU A 75 3.648 -2.429 -7.309 1.00 0.00 H new ATOM 0 HA GLU A 75 6.379 -2.580 -8.073 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.915 -1.702 -5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.661 -1.631 -5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.935 -0.344 -7.820 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.194 0.471 -6.290 1.00 0.00 H new ATOM 1245 N ILE A 76 5.270 -4.676 -5.789 1.00 0.00 N ATOM 1246 CA ILE A 76 5.568 -5.907 -5.074 1.00 0.00 C ATOM 1247 C ILE A 76 5.664 -7.077 -6.050 1.00 0.00 C ATOM 1248 O ILE A 76 6.416 -8.025 -5.828 1.00 0.00 O ATOM 1249 CB ILE A 76 4.485 -6.211 -4.016 1.00 0.00 C ATOM 1250 CG1 ILE A 76 4.422 -5.085 -2.983 1.00 0.00 C ATOM 1251 CG2 ILE A 76 4.759 -7.547 -3.336 1.00 0.00 C ATOM 1252 CD1 ILE A 76 3.094 -5.004 -2.262 1.00 0.00 C ATOM 0 H ILE A 76 4.317 -4.337 -5.661 1.00 0.00 H new ATOM 0 HA ILE A 76 6.525 -5.774 -4.568 1.00 0.00 H new ATOM 0 HB ILE A 76 3.520 -6.276 -4.518 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.216 -5.229 -2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.616 -4.135 -3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.985 -7.743 -2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.757 -8.342 -4.082 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.732 -7.513 -2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.119 -4.184 -1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.297 -4.829 -2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.908 -5.941 -1.736 1.00 0.00 H new ATOM 1264 N GLU A 77 4.896 -6.997 -7.132 1.00 0.00 N ATOM 1265 CA GLU A 77 4.892 -8.042 -8.148 1.00 0.00 C ATOM 1266 C GLU A 77 6.120 -7.926 -9.044 1.00 0.00 C ATOM 1267 O GLU A 77 6.753 -8.928 -9.378 1.00 0.00 O ATOM 1268 CB GLU A 77 3.618 -7.956 -8.991 1.00 0.00 C ATOM 1269 CG GLU A 77 3.559 -8.980 -10.113 1.00 0.00 C ATOM 1270 CD GLU A 77 2.479 -8.668 -11.130 1.00 0.00 C ATOM 1271 OE1 GLU A 77 1.292 -8.918 -10.831 1.00 0.00 O ATOM 1272 OE2 GLU A 77 2.819 -8.176 -12.227 1.00 0.00 O ATOM 0 H GLU A 77 4.268 -6.218 -7.327 1.00 0.00 H new ATOM 0 HA GLU A 77 4.920 -9.009 -7.645 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.753 -8.091 -8.342 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.542 -6.956 -9.419 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.526 -9.019 -10.615 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.379 -9.968 -9.689 1.00 0.00 H new ATOM 1279 N LYS A 78 6.454 -6.698 -9.429 1.00 0.00 N ATOM 1280 CA LYS A 78 7.610 -6.455 -10.283 1.00 0.00 C ATOM 1281 C LYS A 78 8.911 -6.671 -9.516 1.00 0.00 C ATOM 1282 O LYS A 78 9.970 -6.860 -10.114 1.00 0.00 O ATOM 1283 CB LYS A 78 7.566 -5.033 -10.846 1.00 0.00 C ATOM 1284 CG LYS A 78 8.615 -4.771 -11.916 1.00 0.00 C ATOM 1285 CD LYS A 78 8.898 -3.285 -12.065 1.00 0.00 C ATOM 1286 CE LYS A 78 9.828 -2.782 -10.973 1.00 0.00 C ATOM 1287 NZ LYS A 78 11.231 -2.652 -11.454 1.00 0.00 N ATOM 0 H LYS A 78 5.941 -5.857 -9.163 1.00 0.00 H new ATOM 0 HA LYS A 78 7.575 -7.166 -11.108 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.577 -4.847 -11.265 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.705 -4.323 -10.030 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.536 -5.294 -11.660 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.273 -5.175 -12.869 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.345 -3.095 -13.041 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.961 -2.730 -12.030 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.476 -1.815 -10.614 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.797 -3.467 -10.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.833 -2.306 -10.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.576 -3.580 -11.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.266 -1.979 -12.246 1.00 0.00 H new ATOM 1301 N PHE A 79 8.826 -6.641 -8.189 1.00 0.00 N ATOM 1302 CA PHE A 79 9.998 -6.833 -7.344 1.00 0.00 C ATOM 1303 C PHE A 79 10.118 -8.283 -6.877 1.00 0.00 C ATOM 1304 O PHE A 79 11.053 -8.632 -6.156 1.00 0.00 O ATOM 1305 CB PHE A 79 9.928 -5.903 -6.132 1.00 0.00 C ATOM 1306 CG PHE A 79 10.423 -4.512 -6.411 1.00 0.00 C ATOM 1307 CD1 PHE A 79 11.586 -4.306 -7.136 1.00 0.00 C ATOM 1308 CD2 PHE A 79 9.724 -3.410 -5.945 1.00 0.00 C ATOM 1309 CE1 PHE A 79 12.042 -3.026 -7.390 1.00 0.00 C ATOM 1310 CE2 PHE A 79 10.175 -2.130 -6.197 1.00 0.00 C ATOM 1311 CZ PHE A 79 11.335 -1.937 -6.919 1.00 0.00 C ATOM 0 H PHE A 79 7.958 -6.486 -7.677 1.00 0.00 H new ATOM 0 HA PHE A 79 10.881 -6.594 -7.937 1.00 0.00 H new ATOM 0 HB2 PHE A 79 8.896 -5.850 -5.785 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.515 -6.333 -5.321 1.00 0.00 H new ATOM 0 HD1 PHE A 79 12.142 -5.155 -7.506 1.00 0.00 H new ATOM 0 HD2 PHE A 79 8.816 -3.554 -5.378 1.00 0.00 H new ATOM 0 HE1 PHE A 79 12.950 -2.878 -7.956 1.00 0.00 H new ATOM 0 HE2 PHE A 79 9.620 -1.280 -5.829 1.00 0.00 H new ATOM 0 HZ PHE A 79 11.690 -0.936 -7.115 1.00 0.00 H new ATOM 1321 N SER A 80 9.170 -9.122 -7.284 1.00 0.00 N ATOM 1322 CA SER A 80 9.181 -10.526 -6.896 1.00 0.00 C ATOM 1323 C SER A 80 10.434 -11.227 -7.407 1.00 0.00 C ATOM 1324 O SER A 80 10.970 -12.119 -6.751 1.00 0.00 O ATOM 1325 CB SER A 80 7.932 -11.235 -7.424 1.00 0.00 C ATOM 1326 OG SER A 80 7.445 -12.180 -6.486 1.00 0.00 O ATOM 0 H SER A 80 8.387 -8.854 -7.881 1.00 0.00 H new ATOM 0 HA SER A 80 9.183 -10.573 -5.807 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.157 -10.500 -7.640 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.165 -11.737 -8.363 1.00 0.00 H new ATOM 0 HG SER A 80 6.646 -12.617 -6.847 1.00 0.00 H new ATOM 1332 N ASN A 81 10.896 -10.817 -8.583 1.00 0.00 N ATOM 1333 CA ASN A 81 12.088 -11.407 -9.179 1.00 0.00 C ATOM 1334 C ASN A 81 13.347 -10.741 -8.638 1.00 0.00 C ATOM 1335 O ASN A 81 13.531 -9.532 -8.778 1.00 0.00 O ATOM 1336 CB ASN A 81 12.043 -11.275 -10.702 1.00 0.00 C ATOM 1337 CG ASN A 81 11.018 -12.197 -11.333 1.00 0.00 C ATOM 1338 OD1 ASN A 81 10.166 -12.760 -10.646 1.00 0.00 O ATOM 1339 ND2 ASN A 81 11.098 -12.357 -12.648 1.00 0.00 N ATOM 0 H ASN A 81 10.464 -10.080 -9.141 1.00 0.00 H new ATOM 0 HA ASN A 81 12.112 -12.464 -8.915 1.00 0.00 H new ATOM 0 HB2 ASN A 81 11.812 -10.243 -10.968 1.00 0.00 H new ATOM 0 HB3 ASN A 81 13.028 -11.497 -11.112 1.00 0.00 H new ATOM 0 HD21 ASN A 81 10.437 -12.967 -13.129 1.00 0.00 H new ATOM 0 HD22 ASN A 81 11.821 -11.870 -13.178 1.00 0.00 H new ATOM 1346 N ARG A 82 14.215 -11.537 -8.019 1.00 0.00 N ATOM 1347 CA ARG A 82 15.460 -11.022 -7.458 1.00 0.00 C ATOM 1348 C ARG A 82 16.224 -10.204 -8.496 1.00 0.00 C ATOM 1349 O ARG A 82 16.963 -9.281 -8.152 1.00 0.00 O ATOM 1350 CB ARG A 82 16.332 -12.172 -6.951 1.00 0.00 C ATOM 1351 CG ARG A 82 16.771 -13.132 -8.046 1.00 0.00 C ATOM 1352 CD ARG A 82 18.227 -13.540 -7.883 1.00 0.00 C ATOM 1353 NE ARG A 82 18.360 -14.890 -7.338 1.00 0.00 N ATOM 1354 CZ ARG A 82 19.497 -15.385 -6.852 1.00 0.00 C ATOM 1355 NH1 ARG A 82 20.598 -14.645 -6.839 1.00 0.00 N ATOM 1356 NH2 ARG A 82 19.531 -16.622 -6.378 1.00 0.00 N ATOM 0 H ARG A 82 14.079 -12.540 -7.893 1.00 0.00 H new ATOM 0 HA ARG A 82 15.211 -10.371 -6.620 1.00 0.00 H new ATOM 0 HB2 ARG A 82 17.216 -11.759 -6.465 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.781 -12.727 -6.192 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.139 -14.020 -8.027 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.631 -12.663 -9.020 1.00 0.00 H new ATOM 0 HD2 ARG A 82 18.728 -13.488 -8.849 1.00 0.00 H new ATOM 0 HD3 ARG A 82 18.730 -12.832 -7.225 1.00 0.00 H new ATOM 0 HE ARG A 82 17.534 -15.488 -7.329 1.00 0.00 H new ATOM 0 HH11 ARG A 82 20.576 -13.692 -7.202 1.00 0.00 H new ATOM 0 HH12 ARG A 82 21.466 -15.029 -6.466 1.00 0.00 H new ATOM 0 HH21 ARG A 82 18.687 -17.194 -6.386 1.00 0.00 H new ATOM 0 HH22 ARG A 82 20.401 -17.002 -6.006 1.00 0.00 H new ATOM 1370 N SER A 83 16.035 -10.545 -9.767 1.00 0.00 N ATOM 1371 CA SER A 83 16.701 -9.837 -10.853 1.00 0.00 C ATOM 1372 C SER A 83 16.298 -8.366 -10.856 1.00 0.00 C ATOM 1373 O SER A 83 17.078 -7.499 -11.249 1.00 0.00 O ATOM 1374 CB SER A 83 16.352 -10.478 -12.198 1.00 0.00 C ATOM 1375 OG SER A 83 17.170 -9.964 -13.236 1.00 0.00 O ATOM 0 H SER A 83 15.427 -11.306 -10.069 1.00 0.00 H new ATOM 0 HA SER A 83 17.778 -9.905 -10.699 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.478 -11.559 -12.133 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.304 -10.293 -12.431 1.00 0.00 H new ATOM 0 HG SER A 83 16.928 -10.391 -14.085 1.00 0.00 H new ATOM 1381 N ASN A 84 15.076 -8.095 -10.407 1.00 0.00 N ATOM 1382 CA ASN A 84 14.569 -6.730 -10.350 1.00 0.00 C ATOM 1383 C ASN A 84 15.057 -6.030 -9.087 1.00 0.00 C ATOM 1384 O ASN A 84 15.490 -4.878 -9.131 1.00 0.00 O ATOM 1385 CB ASN A 84 13.040 -6.728 -10.389 1.00 0.00 C ATOM 1386 CG ASN A 84 12.497 -6.946 -11.788 1.00 0.00 C ATOM 1387 OD1 ASN A 84 12.926 -6.296 -12.742 1.00 0.00 O ATOM 1388 ND2 ASN A 84 11.547 -7.865 -11.917 1.00 0.00 N ATOM 0 H ASN A 84 14.420 -8.803 -10.078 1.00 0.00 H new ATOM 0 HA ASN A 84 14.946 -6.189 -11.218 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.661 -7.509 -9.730 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.671 -5.778 -10.003 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.143 -8.056 -12.834 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.221 -8.380 -11.099 1.00 0.00 H new ATOM 1395 N ILE A 85 14.990 -6.735 -7.962 1.00 0.00 N ATOM 1396 CA ILE A 85 15.430 -6.182 -6.687 1.00 0.00 C ATOM 1397 C ILE A 85 16.913 -5.828 -6.736 1.00 0.00 C ATOM 1398 O ILE A 85 17.286 -4.657 -6.665 1.00 0.00 O ATOM 1399 CB ILE A 85 15.183 -7.177 -5.531 1.00 0.00 C ATOM 1400 CG1 ILE A 85 13.679 -7.420 -5.351 1.00 0.00 C ATOM 1401 CG2 ILE A 85 15.816 -6.679 -4.234 1.00 0.00 C ATOM 1402 CD1 ILE A 85 12.952 -6.318 -4.606 1.00 0.00 C ATOM 0 H ILE A 85 14.635 -7.690 -7.908 1.00 0.00 H new ATOM 0 HA ILE A 85 14.847 -5.279 -6.506 1.00 0.00 H new ATOM 0 HB ILE A 85 15.657 -8.125 -5.786 1.00 0.00 H new ATOM 0 HG12 ILE A 85 13.222 -7.540 -6.333 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.536 -8.359 -4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 85 15.627 -7.398 -3.437 1.00 0.00 H new ATOM 0 HG22 ILE A 85 16.891 -6.567 -4.374 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.383 -5.716 -3.964 1.00 0.00 H new ATOM 0 HD11 ILE A 85 11.895 -6.571 -4.524 1.00 0.00 H new ATOM 0 HD12 ILE A 85 13.378 -6.211 -3.609 1.00 0.00 H new ATOM 0 HD13 ILE A 85 13.059 -5.379 -5.149 1.00 0.00 H new ATOM 1414 N CYS A 86 17.753 -6.851 -6.865 1.00 0.00 N ATOM 1415 CA CYS A 86 19.200 -6.659 -6.929 1.00 0.00 C ATOM 1416 C CYS A 86 19.562 -5.532 -7.891 1.00 0.00 C ATOM 1417 O CYS A 86 20.554 -4.831 -7.696 1.00 0.00 O ATOM 1418 CB CYS A 86 19.888 -7.955 -7.362 1.00 0.00 C ATOM 1419 SG CYS A 86 20.362 -9.032 -5.988 1.00 0.00 S ATOM 0 H CYS A 86 17.456 -7.825 -6.928 1.00 0.00 H new ATOM 0 HA CYS A 86 19.547 -6.385 -5.933 1.00 0.00 H new ATOM 0 HB2 CYS A 86 19.221 -8.504 -8.027 1.00 0.00 H new ATOM 0 HB3 CYS A 86 20.779 -7.706 -7.939 1.00 0.00 H new ATOM 0 HG CYS A 86 20.934 -10.103 -6.453 1.00 0.00 H new ATOM 1425 N ARG A 87 18.746 -5.362 -8.925 1.00 0.00 N ATOM 1426 CA ARG A 87 18.977 -4.319 -9.913 1.00 0.00 C ATOM 1427 C ARG A 87 18.490 -2.968 -9.402 1.00 0.00 C ATOM 1428 O ARG A 87 19.211 -1.974 -9.474 1.00 0.00 O ATOM 1429 CB ARG A 87 18.274 -4.663 -11.226 1.00 0.00 C ATOM 1430 CG ARG A 87 19.175 -5.364 -12.227 1.00 0.00 C ATOM 1431 CD ARG A 87 19.781 -4.380 -13.215 1.00 0.00 C ATOM 1432 NE ARG A 87 20.696 -5.033 -14.147 1.00 0.00 N ATOM 1433 CZ ARG A 87 21.918 -5.446 -13.818 1.00 0.00 C ATOM 1434 NH1 ARG A 87 22.377 -5.270 -12.585 1.00 0.00 N ATOM 1435 NH2 ARG A 87 22.684 -6.036 -14.725 1.00 0.00 N ATOM 0 H ARG A 87 17.919 -5.934 -9.099 1.00 0.00 H new ATOM 0 HA ARG A 87 20.051 -4.255 -10.091 1.00 0.00 H new ATOM 0 HB2 ARG A 87 17.415 -5.300 -11.014 1.00 0.00 H new ATOM 0 HB3 ARG A 87 17.889 -3.747 -11.674 1.00 0.00 H new ATOM 0 HG2 ARG A 87 19.971 -5.887 -11.698 1.00 0.00 H new ATOM 0 HG3 ARG A 87 18.603 -6.118 -12.767 1.00 0.00 H new ATOM 0 HD2 ARG A 87 18.984 -3.890 -13.774 1.00 0.00 H new ATOM 0 HD3 ARG A 87 20.314 -3.601 -12.670 1.00 0.00 H new ATOM 0 HE ARG A 87 20.381 -5.181 -15.106 1.00 0.00 H new ATOM 0 HH11 ARG A 87 21.792 -4.816 -11.883 1.00 0.00 H new ATOM 0 HH12 ARG A 87 23.314 -5.589 -12.339 1.00 0.00 H new ATOM 0 HH21 ARG A 87 22.337 -6.173 -15.674 1.00 0.00 H new ATOM 0 HH22 ARG A 87 23.620 -6.353 -14.474 1.00 0.00 H new ATOM 1449 N PHE A 88 17.265 -2.935 -8.888 1.00 0.00 N ATOM 1450 CA PHE A 88 16.694 -1.699 -8.375 1.00 0.00 C ATOM 1451 C PHE A 88 17.519 -1.162 -7.206 1.00 0.00 C ATOM 1452 O PHE A 88 17.637 0.049 -7.029 1.00 0.00 O ATOM 1453 CB PHE A 88 15.235 -1.922 -7.950 1.00 0.00 C ATOM 1454 CG PHE A 88 14.943 -1.500 -6.537 1.00 0.00 C ATOM 1455 CD1 PHE A 88 14.935 -0.158 -6.190 1.00 0.00 C ATOM 1456 CD2 PHE A 88 14.701 -2.443 -5.555 1.00 0.00 C ATOM 1457 CE1 PHE A 88 14.687 0.233 -4.891 1.00 0.00 C ATOM 1458 CE2 PHE A 88 14.456 -2.061 -4.258 1.00 0.00 C ATOM 1459 CZ PHE A 88 14.449 -0.719 -3.923 1.00 0.00 C ATOM 0 H PHE A 88 16.652 -3.747 -8.817 1.00 0.00 H new ATOM 0 HA PHE A 88 16.714 -0.955 -9.172 1.00 0.00 H new ATOM 0 HB2 PHE A 88 14.581 -1.371 -8.626 1.00 0.00 H new ATOM 0 HB3 PHE A 88 14.991 -2.979 -8.061 1.00 0.00 H new ATOM 0 HD1 PHE A 88 15.125 0.590 -6.946 1.00 0.00 H new ATOM 0 HD2 PHE A 88 14.705 -3.492 -5.811 1.00 0.00 H new ATOM 0 HE1 PHE A 88 14.679 1.282 -4.633 1.00 0.00 H new ATOM 0 HE2 PHE A 88 14.269 -2.808 -3.501 1.00 0.00 H new ATOM 0 HZ PHE A 88 14.257 -0.417 -2.904 1.00 0.00 H new ATOM 1469 N LEU A 89 18.079 -2.063 -6.405 1.00 0.00 N ATOM 1470 CA LEU A 89 18.881 -1.655 -5.256 1.00 0.00 C ATOM 1471 C LEU A 89 20.148 -0.938 -5.709 1.00 0.00 C ATOM 1472 O LEU A 89 20.340 0.244 -5.423 1.00 0.00 O ATOM 1473 CB LEU A 89 19.252 -2.862 -4.389 1.00 0.00 C ATOM 1474 CG LEU A 89 18.080 -3.665 -3.810 1.00 0.00 C ATOM 1475 CD1 LEU A 89 18.587 -4.673 -2.792 1.00 0.00 C ATOM 1476 CD2 LEU A 89 17.045 -2.747 -3.172 1.00 0.00 C ATOM 0 H LEU A 89 17.994 -3.072 -6.528 1.00 0.00 H new ATOM 0 HA LEU A 89 18.279 -0.969 -4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 89 19.868 -3.536 -4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 89 19.870 -2.513 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 89 17.598 -4.198 -4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 89 17.746 -5.237 -2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 89 19.285 -5.358 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 89 19.094 -4.149 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.227 -3.345 -2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 89 17.510 -2.180 -2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 89 16.657 -2.059 -3.923 1.00 0.00 H new ATOM 1488 N THR A 90 21.011 -1.659 -6.417 1.00 0.00 N ATOM 1489 CA THR A 90 22.260 -1.089 -6.910 1.00 0.00 C ATOM 1490 C THR A 90 21.986 0.055 -7.880 1.00 0.00 C ATOM 1491 O THR A 90 22.599 1.120 -7.791 1.00 0.00 O ATOM 1492 CB THR A 90 23.100 -2.166 -7.599 1.00 0.00 C ATOM 1493 OG1 THR A 90 24.304 -1.617 -8.102 1.00 0.00 O ATOM 1494 CG2 THR A 90 22.383 -2.837 -8.750 1.00 0.00 C ATOM 0 H THR A 90 20.869 -2.639 -6.662 1.00 0.00 H new ATOM 0 HA THR A 90 22.814 -0.697 -6.057 1.00 0.00 H new ATOM 0 HB THR A 90 23.299 -2.914 -6.831 1.00 0.00 H new ATOM 0 HG1 THR A 90 24.828 -2.321 -8.538 1.00 0.00 H new ATOM 0 HG21 THR A 90 23.034 -3.590 -9.195 1.00 0.00 H new ATOM 0 HG22 THR A 90 21.474 -3.314 -8.384 1.00 0.00 H new ATOM 0 HG23 THR A 90 22.124 -2.091 -9.502 1.00 0.00 H new ATOM 1502 N ALA A 91 21.060 -0.173 -8.805 1.00 0.00 N ATOM 1503 CA ALA A 91 20.699 0.836 -9.792 1.00 0.00 C ATOM 1504 C ALA A 91 19.951 1.995 -9.145 1.00 0.00 C ATOM 1505 O ALA A 91 20.035 3.135 -9.601 1.00 0.00 O ATOM 1506 CB ALA A 91 19.850 0.211 -10.887 1.00 0.00 C ATOM 0 H ALA A 91 20.545 -1.049 -8.891 1.00 0.00 H new ATOM 0 HA ALA A 91 21.617 1.229 -10.229 1.00 0.00 H new ATOM 0 HB1 ALA A 91 19.584 0.972 -11.621 1.00 0.00 H new ATOM 0 HB2 ALA A 91 20.414 -0.583 -11.376 1.00 0.00 H new ATOM 0 HB3 ALA A 91 18.942 -0.205 -10.451 1.00 0.00 H new ATOM 1512 N SER A 92 19.215 1.692 -8.081 1.00 0.00 N ATOM 1513 CA SER A 92 18.443 2.701 -7.368 1.00 0.00 C ATOM 1514 C SER A 92 17.341 3.267 -8.259 1.00 0.00 C ATOM 1515 O SER A 92 17.412 4.415 -8.699 1.00 0.00 O ATOM 1516 CB SER A 92 19.360 3.827 -6.877 1.00 0.00 C ATOM 1517 OG SER A 92 19.510 3.785 -5.469 1.00 0.00 O ATOM 0 H SER A 92 19.137 0.752 -7.693 1.00 0.00 H new ATOM 0 HA SER A 92 17.977 2.227 -6.504 1.00 0.00 H new ATOM 0 HB2 SER A 92 20.337 3.738 -7.353 1.00 0.00 H new ATOM 0 HB3 SER A 92 18.948 4.791 -7.173 1.00 0.00 H new ATOM 0 HG SER A 92 20.101 4.512 -5.181 1.00 0.00 H new ATOM 1523 N GLN A 93 16.321 2.454 -8.524 1.00 0.00 N ATOM 1524 CA GLN A 93 15.209 2.879 -9.366 1.00 0.00 C ATOM 1525 C GLN A 93 14.560 4.140 -8.805 1.00 0.00 C ATOM 1526 O GLN A 93 14.413 5.138 -9.511 1.00 0.00 O ATOM 1527 CB GLN A 93 14.168 1.762 -9.477 1.00 0.00 C ATOM 1528 CG GLN A 93 12.972 2.127 -10.342 1.00 0.00 C ATOM 1529 CD GLN A 93 13.008 1.456 -11.701 1.00 0.00 C ATOM 1530 OE1 GLN A 93 14.058 1.374 -12.338 1.00 0.00 O ATOM 1531 NE2 GLN A 93 11.857 0.971 -12.153 1.00 0.00 N ATOM 0 H GLN A 93 16.243 1.501 -8.169 1.00 0.00 H new ATOM 0 HA GLN A 93 15.599 3.100 -10.359 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.645 0.872 -9.888 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.817 1.503 -8.478 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.055 1.844 -9.825 1.00 0.00 H new ATOM 0 HG3 GLN A 93 12.942 3.208 -10.476 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.010 1.061 -11.592 1.00 0.00 H new ATOM 0 HE22 GLN A 93 11.820 0.509 -13.061 1.00 0.00 H new ATOM 1540 N ASP A 94 14.177 4.093 -7.533 1.00 0.00 N ATOM 1541 CA ASP A 94 13.553 5.237 -6.886 1.00 0.00 C ATOM 1542 C ASP A 94 14.071 5.414 -5.460 1.00 0.00 C ATOM 1543 O ASP A 94 13.520 6.201 -4.689 1.00 0.00 O ATOM 1544 CB ASP A 94 12.038 5.050 -6.868 1.00 0.00 C ATOM 1545 CG ASP A 94 11.350 5.782 -8.004 1.00 0.00 C ATOM 1546 OD1 ASP A 94 11.845 6.856 -8.404 1.00 0.00 O ATOM 1547 OD2 ASP A 94 10.315 5.282 -8.492 1.00 0.00 O ATOM 0 H ASP A 94 14.288 3.276 -6.933 1.00 0.00 H new ATOM 0 HA ASP A 94 13.807 6.133 -7.452 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.805 3.987 -6.931 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.642 5.407 -5.917 1.00 0.00 H new ATOM 1552 N LYS A 95 15.117 4.662 -5.104 1.00 0.00 N ATOM 1553 CA LYS A 95 15.695 4.717 -3.766 1.00 0.00 C ATOM 1554 C LYS A 95 14.873 3.873 -2.796 1.00 0.00 C ATOM 1555 O LYS A 95 15.309 3.600 -1.680 1.00 0.00 O ATOM 1556 CB LYS A 95 15.783 6.163 -3.263 1.00 0.00 C ATOM 1557 CG LYS A 95 17.087 6.481 -2.549 1.00 0.00 C ATOM 1558 CD LYS A 95 16.844 6.951 -1.124 1.00 0.00 C ATOM 1559 CE LYS A 95 16.736 8.465 -1.045 1.00 0.00 C ATOM 1560 NZ LYS A 95 17.417 9.009 0.162 1.00 0.00 N ATOM 0 H LYS A 95 15.580 4.005 -5.732 1.00 0.00 H new ATOM 0 HA LYS A 95 16.705 4.312 -3.819 1.00 0.00 H new ATOM 0 HB2 LYS A 95 15.667 6.841 -4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.951 6.354 -2.585 1.00 0.00 H new ATOM 0 HG2 LYS A 95 17.722 5.595 -2.537 1.00 0.00 H new ATOM 0 HG3 LYS A 95 17.626 7.252 -3.100 1.00 0.00 H new ATOM 0 HD2 LYS A 95 15.928 6.500 -0.743 1.00 0.00 H new ATOM 0 HD3 LYS A 95 17.658 6.610 -0.484 1.00 0.00 H new ATOM 0 HE2 LYS A 95 17.175 8.907 -1.939 1.00 0.00 H new ATOM 0 HE3 LYS A 95 15.685 8.753 -1.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 17.320 10.044 0.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 16.982 8.607 1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 18.425 8.756 0.135 1.00 0.00 H new ATOM 1574 N ILE A 96 13.682 3.462 -3.231 1.00 0.00 N ATOM 1575 CA ILE A 96 12.794 2.652 -2.409 1.00 0.00 C ATOM 1576 C ILE A 96 11.808 1.877 -3.281 1.00 0.00 C ATOM 1577 O ILE A 96 11.228 2.423 -4.219 1.00 0.00 O ATOM 1578 CB ILE A 96 11.998 3.518 -1.418 1.00 0.00 C ATOM 1579 CG1 ILE A 96 12.908 4.539 -0.730 1.00 0.00 C ATOM 1580 CG2 ILE A 96 11.287 2.640 -0.396 1.00 0.00 C ATOM 1581 CD1 ILE A 96 12.199 5.380 0.303 1.00 0.00 C ATOM 0 H ILE A 96 13.311 3.681 -4.156 1.00 0.00 H new ATOM 0 HA ILE A 96 13.422 1.957 -1.851 1.00 0.00 H new ATOM 0 HB ILE A 96 11.242 4.071 -1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 96 13.735 4.013 -0.253 1.00 0.00 H new ATOM 0 HG13 ILE A 96 13.341 5.195 -1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.728 3.268 0.298 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.600 1.967 -0.909 1.00 0.00 H new ATOM 0 HG23 ILE A 96 12.023 2.055 0.156 1.00 0.00 H new ATOM 0 HD11 ILE A 96 12.905 6.080 0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.389 5.934 -0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.790 4.734 1.080 1.00 0.00 H new ATOM 1593 N LEU A 97 11.639 0.601 -2.968 1.00 0.00 N ATOM 1594 CA LEU A 97 10.741 -0.280 -3.711 1.00 0.00 C ATOM 1595 C LEU A 97 9.379 0.363 -4.000 1.00 0.00 C ATOM 1596 O LEU A 97 9.110 0.768 -5.131 1.00 0.00 O ATOM 1597 CB LEU A 97 10.563 -1.587 -2.937 1.00 0.00 C ATOM 1598 CG LEU A 97 11.873 -2.327 -2.660 1.00 0.00 C ATOM 1599 CD1 LEU A 97 12.201 -2.323 -1.180 1.00 0.00 C ATOM 1600 CD2 LEU A 97 11.844 -3.751 -3.193 1.00 0.00 C ATOM 0 H LEU A 97 12.119 0.144 -2.193 1.00 0.00 H new ATOM 0 HA LEU A 97 11.199 -0.477 -4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.071 -1.372 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.898 -2.243 -3.499 1.00 0.00 H new ATOM 0 HG LEU A 97 12.659 -1.790 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 97 13.137 -2.856 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 97 12.302 -1.295 -0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 97 11.400 -2.815 -0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 97 12.793 -4.240 -2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 97 11.034 -4.302 -2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.684 -3.733 -4.271 1.00 0.00 H new ATOM 1612 N PHE A 98 8.512 0.434 -2.991 1.00 0.00 N ATOM 1613 CA PHE A 98 7.174 1.002 -3.174 1.00 0.00 C ATOM 1614 C PHE A 98 7.016 2.358 -2.485 1.00 0.00 C ATOM 1615 O PHE A 98 5.985 2.629 -1.867 1.00 0.00 O ATOM 1616 CB PHE A 98 6.116 0.032 -2.653 1.00 0.00 C ATOM 1617 CG PHE A 98 6.319 -0.342 -1.218 1.00 0.00 C ATOM 1618 CD1 PHE A 98 7.185 -1.362 -0.875 1.00 0.00 C ATOM 1619 CD2 PHE A 98 5.649 0.334 -0.214 1.00 0.00 C ATOM 1620 CE1 PHE A 98 7.383 -1.704 0.446 1.00 0.00 C ATOM 1621 CE2 PHE A 98 5.842 0.000 1.111 1.00 0.00 C ATOM 1622 CZ PHE A 98 6.711 -1.021 1.443 1.00 0.00 C ATOM 0 H PHE A 98 8.708 0.108 -2.045 1.00 0.00 H new ATOM 0 HA PHE A 98 7.037 1.161 -4.244 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.130 0.482 -2.769 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.128 -0.871 -3.263 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.713 -1.898 -1.650 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.968 1.132 -0.470 1.00 0.00 H new ATOM 0 HE1 PHE A 98 8.062 -2.504 0.702 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.315 0.536 1.887 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.865 -1.285 2.479 1.00 0.00 H new ATOM 1632 N LYS A 99 8.024 3.214 -2.606 1.00 0.00 N ATOM 1633 CA LYS A 99 7.967 4.540 -2.007 1.00 0.00 C ATOM 1634 C LYS A 99 6.889 5.378 -2.687 1.00 0.00 C ATOM 1635 O LYS A 99 6.057 5.999 -2.027 1.00 0.00 O ATOM 1636 CB LYS A 99 9.336 5.221 -2.125 1.00 0.00 C ATOM 1637 CG LYS A 99 9.288 6.695 -2.496 1.00 0.00 C ATOM 1638 CD LYS A 99 8.656 7.530 -1.394 1.00 0.00 C ATOM 1639 CE LYS A 99 9.445 8.806 -1.141 1.00 0.00 C ATOM 1640 NZ LYS A 99 10.791 8.523 -0.569 1.00 0.00 N ATOM 0 H LYS A 99 8.887 3.014 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 99 7.713 4.446 -0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.860 5.117 -1.175 1.00 0.00 H new ATOM 0 HB3 LYS A 99 9.925 4.692 -2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.298 7.054 -2.691 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.721 6.820 -3.418 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.632 7.782 -1.669 1.00 0.00 H new ATOM 0 HD3 LYS A 99 8.605 6.944 -0.476 1.00 0.00 H new ATOM 0 HE2 LYS A 99 9.556 9.355 -2.076 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.888 9.448 -0.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 11.236 9.414 -0.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 10.694 7.892 0.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 11.385 8.065 -1.289 1.00 0.00 H new ATOM 1654 N ASP A 100 6.915 5.385 -4.017 1.00 0.00 N ATOM 1655 CA ASP A 100 5.945 6.141 -4.801 1.00 0.00 C ATOM 1656 C ASP A 100 4.524 5.758 -4.413 1.00 0.00 C ATOM 1657 O ASP A 100 3.613 6.585 -4.452 1.00 0.00 O ATOM 1658 CB ASP A 100 6.164 5.898 -6.295 1.00 0.00 C ATOM 1659 CG ASP A 100 5.952 7.151 -7.121 1.00 0.00 C ATOM 1660 OD1 ASP A 100 6.653 8.153 -6.870 1.00 0.00 O ATOM 1661 OD2 ASP A 100 5.085 7.129 -8.020 1.00 0.00 O ATOM 0 H ASP A 100 7.599 4.874 -4.575 1.00 0.00 H new ATOM 0 HA ASP A 100 6.088 7.201 -4.591 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.176 5.527 -6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.482 5.120 -6.638 1.00 0.00 H new ATOM 1666 N VAL A 101 4.341 4.497 -4.033 1.00 0.00 N ATOM 1667 CA VAL A 101 3.031 4.009 -3.632 1.00 0.00 C ATOM 1668 C VAL A 101 2.643 4.574 -2.281 1.00 0.00 C ATOM 1669 O VAL A 101 1.630 5.247 -2.160 1.00 0.00 O ATOM 1670 CB VAL A 101 2.988 2.477 -3.598 1.00 0.00 C ATOM 1671 CG1 VAL A 101 1.581 1.983 -3.307 1.00 0.00 C ATOM 1672 CG2 VAL A 101 3.482 1.939 -4.922 1.00 0.00 C ATOM 0 H VAL A 101 5.083 3.798 -3.995 1.00 0.00 H new ATOM 0 HA VAL A 101 2.311 4.348 -4.377 1.00 0.00 H new ATOM 0 HB VAL A 101 3.635 2.116 -2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.575 0.893 -3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.254 2.365 -2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.903 2.336 -4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.454 0.849 -4.905 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.843 2.306 -5.725 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.506 2.273 -5.091 1.00 0.00 H new ATOM 1682 N ASN A 102 3.468 4.343 -1.265 1.00 0.00 N ATOM 1683 CA ASN A 102 3.183 4.894 0.054 1.00 0.00 C ATOM 1684 C ASN A 102 2.866 6.379 -0.086 1.00 0.00 C ATOM 1685 O ASN A 102 2.128 6.950 0.711 1.00 0.00 O ATOM 1686 CB ASN A 102 4.379 4.719 0.992 1.00 0.00 C ATOM 1687 CG ASN A 102 4.932 3.311 0.986 1.00 0.00 C ATOM 1688 OD1 ASN A 102 4.192 2.340 1.136 1.00 0.00 O ATOM 1689 ND2 ASN A 102 6.244 3.198 0.821 1.00 0.00 N ATOM 0 H ASN A 102 4.323 3.789 -1.326 1.00 0.00 H new ATOM 0 HA ASN A 102 2.332 4.361 0.478 1.00 0.00 H new ATOM 0 HB2 ASN A 102 5.167 5.414 0.702 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.080 4.982 2.007 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.680 2.276 0.815 1.00 0.00 H new ATOM 0 HD22 ASN A 102 6.817 4.033 0.700 1.00 0.00 H new ATOM 1696 N ARG A 103 3.433 6.989 -1.126 1.00 0.00 N ATOM 1697 CA ARG A 103 3.221 8.397 -1.402 1.00 0.00 C ATOM 1698 C ARG A 103 1.924 8.615 -2.172 1.00 0.00 C ATOM 1699 O ARG A 103 1.132 9.488 -1.816 1.00 0.00 O ATOM 1700 CB ARG A 103 4.393 8.965 -2.196 1.00 0.00 C ATOM 1701 CG ARG A 103 5.539 9.447 -1.324 1.00 0.00 C ATOM 1702 CD ARG A 103 6.559 10.243 -2.125 1.00 0.00 C ATOM 1703 NE ARG A 103 6.110 11.611 -2.381 1.00 0.00 N ATOM 1704 CZ ARG A 103 5.487 11.996 -3.495 1.00 0.00 C ATOM 1705 NH1 ARG A 103 5.221 11.121 -4.457 1.00 0.00 N ATOM 1706 NH2 ARG A 103 5.124 13.263 -3.644 1.00 0.00 N ATOM 0 H ARG A 103 4.046 6.520 -1.792 1.00 0.00 H new ATOM 0 HA ARG A 103 3.148 8.917 -0.447 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.763 8.200 -2.879 1.00 0.00 H new ATOM 0 HB3 ARG A 103 4.039 9.795 -2.808 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.147 10.066 -0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.029 8.591 -0.860 1.00 0.00 H new ATOM 0 HD2 ARG A 103 7.505 10.268 -1.584 1.00 0.00 H new ATOM 0 HD3 ARG A 103 6.747 9.740 -3.074 1.00 0.00 H new ATOM 0 HE ARG A 103 6.284 12.314 -1.663 1.00 0.00 H new ATOM 0 HH11 ARG A 103 5.494 10.144 -4.348 1.00 0.00 H new ATOM 0 HH12 ARG A 103 4.744 11.425 -5.306 1.00 0.00 H new ATOM 0 HH21 ARG A 103 5.322 13.940 -2.907 1.00 0.00 H new ATOM 0 HH22 ARG A 103 4.647 13.560 -4.495 1.00 0.00 H new ATOM 1720 N LYS A 104 1.689 7.821 -3.224 1.00 0.00 N ATOM 1721 CA LYS A 104 0.465 7.974 -3.995 1.00 0.00 C ATOM 1722 C LYS A 104 -0.678 7.279 -3.268 1.00 0.00 C ATOM 1723 O LYS A 104 -1.754 7.843 -3.093 1.00 0.00 O ATOM 1724 CB LYS A 104 0.675 7.437 -5.422 1.00 0.00 C ATOM 1725 CG LYS A 104 -0.300 6.354 -5.882 1.00 0.00 C ATOM 1726 CD LYS A 104 0.432 5.180 -6.515 1.00 0.00 C ATOM 1727 CE LYS A 104 1.480 5.644 -7.517 1.00 0.00 C ATOM 1728 NZ LYS A 104 0.951 6.693 -8.431 1.00 0.00 N ATOM 0 H LYS A 104 2.317 7.086 -3.549 1.00 0.00 H new ATOM 0 HA LYS A 104 0.202 9.028 -4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.611 8.274 -6.117 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.688 7.040 -5.494 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.885 6.004 -5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.003 6.776 -6.600 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.911 4.587 -5.736 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.286 4.530 -7.014 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.346 6.033 -6.982 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.824 4.792 -8.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.371 6.575 -9.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.083 6.605 -8.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.195 7.633 -8.059 1.00 0.00 H new ATOM 1742 N LEU A 105 -0.407 6.056 -2.833 1.00 0.00 N ATOM 1743 CA LEU A 105 -1.368 5.245 -2.100 1.00 0.00 C ATOM 1744 C LEU A 105 -1.876 5.981 -0.856 1.00 0.00 C ATOM 1745 O LEU A 105 -3.053 5.880 -0.501 1.00 0.00 O ATOM 1746 CB LEU A 105 -0.706 3.918 -1.704 1.00 0.00 C ATOM 1747 CG LEU A 105 -1.613 2.894 -1.023 1.00 0.00 C ATOM 1748 CD1 LEU A 105 -0.963 1.522 -1.014 1.00 0.00 C ATOM 1749 CD2 LEU A 105 -1.932 3.336 0.392 1.00 0.00 C ATOM 0 H LEU A 105 0.492 5.596 -2.980 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.228 5.049 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.286 3.462 -2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.128 4.136 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.543 2.828 -1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.626 0.809 -0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.777 1.201 -2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.018 1.570 -0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.579 2.598 0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.007 3.428 0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.439 4.300 0.366 1.00 0.00 H new ATOM 1761 N SER A 106 -0.987 6.724 -0.192 1.00 0.00 N ATOM 1762 CA SER A 106 -1.366 7.463 1.012 1.00 0.00 C ATOM 1763 C SER A 106 -2.357 8.574 0.688 1.00 0.00 C ATOM 1764 O SER A 106 -3.458 8.616 1.236 1.00 0.00 O ATOM 1765 CB SER A 106 -0.134 8.061 1.692 1.00 0.00 C ATOM 1766 OG SER A 106 0.615 8.851 0.786 1.00 0.00 O ATOM 0 H SER A 106 -0.010 6.829 -0.465 1.00 0.00 H new ATOM 0 HA SER A 106 -1.842 6.756 1.691 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.443 8.670 2.541 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.493 7.261 2.086 1.00 0.00 H new ATOM 0 HG SER A 106 1.417 8.360 0.509 1.00 0.00 H new ATOM 1772 N ASP A 107 -1.955 9.475 -0.202 1.00 0.00 N ATOM 1773 CA ASP A 107 -2.803 10.595 -0.602 1.00 0.00 C ATOM 1774 C ASP A 107 -4.217 10.124 -0.913 1.00 0.00 C ATOM 1775 O ASP A 107 -5.191 10.841 -0.683 1.00 0.00 O ATOM 1776 CB ASP A 107 -2.213 11.282 -1.830 1.00 0.00 C ATOM 1777 CG ASP A 107 -2.250 12.795 -1.724 1.00 0.00 C ATOM 1778 OD1 ASP A 107 -3.350 13.372 -1.857 1.00 0.00 O ATOM 1779 OD2 ASP A 107 -1.180 13.402 -1.508 1.00 0.00 O ATOM 0 H ASP A 107 -1.045 9.452 -0.662 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.846 11.301 0.227 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.182 10.956 -1.964 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.764 10.970 -2.717 1.00 0.00 H new ATOM 1784 N VAL A 108 -4.315 8.912 -1.436 1.00 0.00 N ATOM 1785 CA VAL A 108 -5.600 8.330 -1.784 1.00 0.00 C ATOM 1786 C VAL A 108 -6.470 8.178 -0.554 1.00 0.00 C ATOM 1787 O VAL A 108 -7.619 8.613 -0.542 1.00 0.00 O ATOM 1788 CB VAL A 108 -5.446 6.949 -2.437 1.00 0.00 C ATOM 1789 CG1 VAL A 108 -6.678 6.596 -3.243 1.00 0.00 C ATOM 1790 CG2 VAL A 108 -4.209 6.892 -3.311 1.00 0.00 C ATOM 0 H VAL A 108 -3.515 8.310 -1.629 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.066 9.011 -2.496 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.332 6.215 -1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -6.547 5.614 -3.697 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.549 6.580 -2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.826 7.340 -4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.126 5.902 -3.760 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.285 7.642 -4.098 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.325 7.090 -2.704 1.00 0.00 H new ATOM 1800 N TRP A 109 -5.923 7.559 0.489 1.00 0.00 N ATOM 1801 CA TRP A 109 -6.690 7.374 1.714 1.00 0.00 C ATOM 1802 C TRP A 109 -7.053 8.727 2.304 1.00 0.00 C ATOM 1803 O TRP A 109 -8.132 8.902 2.866 1.00 0.00 O ATOM 1804 CB TRP A 109 -5.943 6.536 2.756 1.00 0.00 C ATOM 1805 CG TRP A 109 -6.753 6.349 4.006 1.00 0.00 C ATOM 1806 CD1 TRP A 109 -6.367 6.603 5.289 1.00 0.00 C ATOM 1807 CD2 TRP A 109 -8.107 5.891 4.079 1.00 0.00 C ATOM 1808 NE1 TRP A 109 -7.402 6.336 6.156 1.00 0.00 N ATOM 1809 CE2 TRP A 109 -8.483 5.895 5.434 1.00 0.00 C ATOM 1810 CE3 TRP A 109 -9.038 5.477 3.126 1.00 0.00 C ATOM 1811 CZ2 TRP A 109 -9.756 5.504 5.856 1.00 0.00 C ATOM 1812 CZ3 TRP A 109 -10.296 5.090 3.542 1.00 0.00 C ATOM 1813 CH2 TRP A 109 -10.645 5.107 4.895 1.00 0.00 C ATOM 0 H TRP A 109 -4.974 7.185 0.511 1.00 0.00 H new ATOM 0 HA TRP A 109 -7.594 6.826 1.448 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -5.699 5.562 2.332 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.999 7.021 3.004 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -5.391 6.961 5.582 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.371 6.448 7.169 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -8.778 5.460 2.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -10.028 5.515 6.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -11.022 4.769 2.810 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -11.638 4.800 5.188 1.00 0.00 H new ATOM 1824 N LYS A 110 -6.154 9.691 2.154 1.00 0.00 N ATOM 1825 CA LYS A 110 -6.397 11.033 2.655 1.00 0.00 C ATOM 1826 C LYS A 110 -7.634 11.614 1.981 1.00 0.00 C ATOM 1827 O LYS A 110 -8.403 12.347 2.594 1.00 0.00 O ATOM 1828 CB LYS A 110 -5.184 11.929 2.395 1.00 0.00 C ATOM 1829 CG LYS A 110 -3.900 11.411 3.023 1.00 0.00 C ATOM 1830 CD LYS A 110 -2.740 12.366 2.789 1.00 0.00 C ATOM 1831 CE LYS A 110 -2.679 13.444 3.859 1.00 0.00 C ATOM 1832 NZ LYS A 110 -1.923 14.641 3.400 1.00 0.00 N ATOM 0 H LYS A 110 -5.254 9.567 1.691 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.564 10.984 3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.039 12.027 1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.391 12.927 2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -4.048 11.272 4.094 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.658 10.434 2.605 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.804 11.807 2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.843 12.831 1.809 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.691 13.738 4.136 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.209 13.039 4.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.905 15.352 4.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.949 14.366 3.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.386 15.043 2.560 1.00 0.00 H new ATOM 1846 N GLU A 111 -7.816 11.266 0.711 1.00 0.00 N ATOM 1847 CA GLU A 111 -8.955 11.737 -0.064 1.00 0.00 C ATOM 1848 C GLU A 111 -10.127 10.764 0.025 1.00 0.00 C ATOM 1849 O GLU A 111 -11.283 11.152 -0.132 1.00 0.00 O ATOM 1850 CB GLU A 111 -8.547 11.918 -1.523 1.00 0.00 C ATOM 1851 CG GLU A 111 -8.667 13.354 -2.000 1.00 0.00 C ATOM 1852 CD GLU A 111 -8.635 13.474 -3.511 1.00 0.00 C ATOM 1853 OE1 GLU A 111 -9.676 13.212 -4.149 1.00 0.00 O ATOM 1854 OE2 GLU A 111 -7.570 13.831 -4.056 1.00 0.00 O ATOM 0 H GLU A 111 -7.183 10.655 0.195 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.275 12.693 0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.517 11.584 -1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.169 11.280 -2.150 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.598 13.780 -1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.854 13.943 -1.576 1.00 0.00 H new ATOM 1861 N LEU A 112 -9.818 9.501 0.271 1.00 0.00 N ATOM 1862 CA LEU A 112 -10.841 8.470 0.375 1.00 0.00 C ATOM 1863 C LEU A 112 -11.501 8.518 1.745 1.00 0.00 C ATOM 1864 O LEU A 112 -12.724 8.451 1.863 1.00 0.00 O ATOM 1865 CB LEU A 112 -10.228 7.088 0.126 1.00 0.00 C ATOM 1866 CG LEU A 112 -11.222 5.924 0.086 1.00 0.00 C ATOM 1867 CD1 LEU A 112 -12.399 6.245 -0.812 1.00 0.00 C ATOM 1868 CD2 LEU A 112 -10.544 4.660 -0.400 1.00 0.00 C ATOM 0 H LEU A 112 -8.865 9.163 0.403 1.00 0.00 H new ATOM 0 HA LEU A 112 -11.602 8.655 -0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.688 7.114 -0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.494 6.889 0.907 1.00 0.00 H new ATOM 0 HG LEU A 112 -11.588 5.767 1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -13.089 5.402 -0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.913 7.130 -0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.043 6.435 -1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.267 3.844 -0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.149 4.821 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.727 4.403 0.274 1.00 0.00 H new ATOM 1880 N SER A 113 -10.678 8.643 2.779 1.00 0.00 N ATOM 1881 CA SER A 113 -11.170 8.712 4.145 1.00 0.00 C ATOM 1882 C SER A 113 -11.880 10.038 4.397 1.00 0.00 C ATOM 1883 O SER A 113 -12.974 10.064 4.958 1.00 0.00 O ATOM 1884 CB SER A 113 -10.016 8.532 5.134 1.00 0.00 C ATOM 1885 OG SER A 113 -9.610 9.772 5.691 1.00 0.00 O ATOM 0 H SER A 113 -9.663 8.699 2.694 1.00 0.00 H new ATOM 0 HA SER A 113 -11.888 7.905 4.292 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.322 7.856 5.933 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.171 8.065 4.628 1.00 0.00 H new ATOM 0 HG SER A 113 -8.873 9.623 6.319 1.00 0.00 H new ATOM 1891 N LEU A 114 -11.254 11.139 3.981 1.00 0.00 N ATOM 1892 CA LEU A 114 -11.840 12.460 4.175 1.00 0.00 C ATOM 1893 C LEU A 114 -13.171 12.570 3.428 1.00 0.00 C ATOM 1894 O LEU A 114 -14.074 13.284 3.863 1.00 0.00 O ATOM 1895 CB LEU A 114 -10.831 13.555 3.772 1.00 0.00 C ATOM 1896 CG LEU A 114 -11.160 14.415 2.544 1.00 0.00 C ATOM 1897 CD1 LEU A 114 -11.362 13.552 1.317 1.00 0.00 C ATOM 1898 CD2 LEU A 114 -12.380 15.287 2.795 1.00 0.00 C ATOM 0 H LEU A 114 -10.348 11.141 3.511 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.063 12.609 5.232 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.704 14.223 4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.868 13.075 3.596 1.00 0.00 H new ATOM 0 HG LEU A 114 -10.309 15.072 2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -11.594 14.185 0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -10.451 12.988 1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.186 12.860 1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -12.589 15.885 1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -13.240 14.655 3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.187 15.948 3.640 1.00 0.00 H new ATOM 1910 N LEU A 115 -13.299 11.838 2.321 1.00 0.00 N ATOM 1911 CA LEU A 115 -14.534 11.839 1.546 1.00 0.00 C ATOM 1912 C LEU A 115 -15.566 10.937 2.209 1.00 0.00 C ATOM 1913 O LEU A 115 -16.761 11.231 2.206 1.00 0.00 O ATOM 1914 CB LEU A 115 -14.277 11.350 0.117 1.00 0.00 C ATOM 1915 CG LEU A 115 -13.680 12.388 -0.831 1.00 0.00 C ATOM 1916 CD1 LEU A 115 -13.414 11.774 -2.196 1.00 0.00 C ATOM 1917 CD2 LEU A 115 -14.603 13.592 -0.955 1.00 0.00 C ATOM 0 H LEU A 115 -12.564 11.240 1.944 1.00 0.00 H new ATOM 0 HA LEU A 115 -14.911 12.861 1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.606 10.492 0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -15.219 10.997 -0.304 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.730 12.726 -0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -12.989 12.529 -2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.713 10.946 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -14.349 11.407 -2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -14.161 14.321 -1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -15.569 13.271 -1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -14.741 14.047 0.026 1.00 0.00 H new ATOM 1929 N LEU A 116 -15.090 9.832 2.772 1.00 0.00 N ATOM 1930 CA LEU A 116 -15.960 8.876 3.439 1.00 0.00 C ATOM 1931 C LEU A 116 -16.695 9.526 4.603 1.00 0.00 C ATOM 1932 O LEU A 116 -17.918 9.428 4.706 1.00 0.00 O ATOM 1933 CB LEU A 116 -15.151 7.669 3.911 1.00 0.00 C ATOM 1934 CG LEU A 116 -14.998 6.569 2.862 1.00 0.00 C ATOM 1935 CD1 LEU A 116 -14.066 5.472 3.353 1.00 0.00 C ATOM 1936 CD2 LEU A 116 -16.360 6.001 2.508 1.00 0.00 C ATOM 0 H LEU A 116 -14.102 9.577 2.779 1.00 0.00 H new ATOM 0 HA LEU A 116 -16.709 8.534 2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -14.160 8.006 4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -15.630 7.248 4.795 1.00 0.00 H new ATOM 0 HG LEU A 116 -14.554 7.002 1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -13.975 4.702 2.587 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -13.083 5.895 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -14.471 5.031 4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -16.244 5.217 1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -16.824 5.584 3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -16.992 6.794 2.108 1.00 0.00 H new ATOM 1948 N GLN A 117 -15.953 10.207 5.472 1.00 0.00 N ATOM 1949 CA GLN A 117 -16.561 10.886 6.615 1.00 0.00 C ATOM 1950 C GLN A 117 -17.646 11.853 6.146 1.00 0.00 C ATOM 1951 O GLN A 117 -18.521 12.240 6.920 1.00 0.00 O ATOM 1952 CB GLN A 117 -15.516 11.644 7.444 1.00 0.00 C ATOM 1953 CG GLN A 117 -14.403 12.282 6.629 1.00 0.00 C ATOM 1954 CD GLN A 117 -13.136 12.489 7.432 1.00 0.00 C ATOM 1955 OE1 GLN A 117 -13.000 13.474 8.158 1.00 0.00 O ATOM 1956 NE2 GLN A 117 -12.201 11.556 7.306 1.00 0.00 N ATOM 0 H GLN A 117 -14.940 10.304 5.409 1.00 0.00 H new ATOM 0 HA GLN A 117 -17.008 10.120 7.249 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -16.021 12.422 8.017 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -15.073 10.955 8.163 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -14.183 11.653 5.767 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -14.745 13.242 6.244 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -12.358 10.757 6.692 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -11.326 11.638 7.823 1.00 0.00 H new ATOM 1965 N VAL A 118 -17.581 12.244 4.876 1.00 0.00 N ATOM 1966 CA VAL A 118 -18.558 13.163 4.309 1.00 0.00 C ATOM 1967 C VAL A 118 -19.762 12.416 3.751 1.00 0.00 C ATOM 1968 O VAL A 118 -20.901 12.654 4.152 1.00 0.00 O ATOM 1969 CB VAL A 118 -17.953 13.996 3.165 1.00 0.00 C ATOM 1970 CG1 VAL A 118 -18.846 15.178 2.838 1.00 0.00 C ATOM 1971 CG2 VAL A 118 -16.544 14.450 3.509 1.00 0.00 C ATOM 0 H VAL A 118 -16.861 11.938 4.222 1.00 0.00 H new ATOM 0 HA VAL A 118 -18.867 13.819 5.123 1.00 0.00 H new ATOM 0 HB VAL A 118 -17.889 13.365 2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -18.403 15.756 2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -19.828 14.818 2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -18.950 15.811 3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -16.139 15.037 2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -16.569 15.061 4.411 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -15.912 13.578 3.679 1.00 0.00 H new ATOM 1981 N GLU A 119 -19.495 11.526 2.803 1.00 0.00 N ATOM 1982 CA GLU A 119 -20.551 10.752 2.155 1.00 0.00 C ATOM 1983 C GLU A 119 -21.132 9.684 3.080 1.00 0.00 C ATOM 1984 O GLU A 119 -22.350 9.542 3.185 1.00 0.00 O ATOM 1985 CB GLU A 119 -20.013 10.094 0.883 1.00 0.00 C ATOM 1986 CG GLU A 119 -19.251 11.050 -0.023 1.00 0.00 C ATOM 1987 CD GLU A 119 -20.149 11.732 -1.036 1.00 0.00 C ATOM 1988 OE1 GLU A 119 -21.372 11.801 -0.795 1.00 0.00 O ATOM 1989 OE2 GLU A 119 -19.627 12.200 -2.071 1.00 0.00 O ATOM 0 H GLU A 119 -18.555 11.321 2.464 1.00 0.00 H new ATOM 0 HA GLU A 119 -21.354 11.445 1.903 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -19.357 9.269 1.161 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -20.846 9.665 0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -18.757 11.806 0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -18.468 10.502 -0.547 1.00 0.00 H new ATOM 1996 N GLN A 120 -20.261 8.923 3.735 1.00 0.00 N ATOM 1997 CA GLN A 120 -20.705 7.859 4.630 1.00 0.00 C ATOM 1998 C GLN A 120 -20.905 8.360 6.061 1.00 0.00 C ATOM 1999 O GLN A 120 -21.465 7.650 6.897 1.00 0.00 O ATOM 2000 CB GLN A 120 -19.700 6.707 4.613 1.00 0.00 C ATOM 2001 CG GLN A 120 -19.578 6.038 3.253 1.00 0.00 C ATOM 2002 CD GLN A 120 -19.280 4.556 3.355 1.00 0.00 C ATOM 2003 OE1 GLN A 120 -18.292 4.070 2.805 1.00 0.00 O ATOM 2004 NE2 GLN A 120 -20.137 3.829 4.060 1.00 0.00 N ATOM 0 H GLN A 120 -19.248 9.022 3.664 1.00 0.00 H new ATOM 0 HA GLN A 120 -21.671 7.507 4.268 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -18.722 7.082 4.915 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -19.998 5.963 5.351 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -20.505 6.181 2.698 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -18.787 6.525 2.683 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -20.943 4.274 4.499 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -19.990 2.825 4.163 1.00 0.00 H new ATOM 2013 N ARG A 121 -20.454 9.578 6.341 1.00 0.00 N ATOM 2014 CA ARG A 121 -20.598 10.154 7.674 1.00 0.00 C ATOM 2015 C ARG A 121 -19.870 9.316 8.723 1.00 0.00 C ATOM 2016 O ARG A 121 -20.177 9.395 9.913 1.00 0.00 O ATOM 2017 CB ARG A 121 -22.079 10.271 8.042 1.00 0.00 C ATOM 2018 CG ARG A 121 -22.865 11.183 7.114 1.00 0.00 C ATOM 2019 CD ARG A 121 -23.866 12.032 7.883 1.00 0.00 C ATOM 2020 NE ARG A 121 -23.207 12.987 8.770 1.00 0.00 N ATOM 2021 CZ ARG A 121 -22.663 14.129 8.357 1.00 0.00 C ATOM 2022 NH1 ARG A 121 -22.697 14.462 7.072 1.00 0.00 N ATOM 2023 NH2 ARG A 121 -22.083 14.942 9.230 1.00 0.00 N ATOM 0 H ARG A 121 -19.987 10.184 5.666 1.00 0.00 H new ATOM 0 HA ARG A 121 -20.149 11.147 7.658 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -22.528 9.278 8.028 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -22.163 10.645 9.062 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -22.177 11.832 6.571 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -23.390 10.583 6.371 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -24.501 12.570 7.179 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -24.517 11.383 8.469 1.00 0.00 H new ATOM 0 HE ARG A 121 -23.161 12.766 9.765 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -23.142 13.841 6.396 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -22.278 15.339 6.761 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -22.054 14.692 10.218 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -21.666 15.817 8.913 1.00 0.00 H new ATOM 2037 N MET A 122 -18.909 8.511 8.278 1.00 0.00 N ATOM 2038 CA MET A 122 -18.146 7.662 9.185 1.00 0.00 C ATOM 2039 C MET A 122 -16.986 8.431 9.816 1.00 0.00 C ATOM 2040 O MET A 122 -16.311 9.210 9.142 1.00 0.00 O ATOM 2041 CB MET A 122 -17.623 6.433 8.436 1.00 0.00 C ATOM 2042 CG MET A 122 -16.482 6.732 7.471 1.00 0.00 C ATOM 2043 SD MET A 122 -14.951 5.883 7.912 1.00 0.00 S ATOM 2044 CE MET A 122 -13.864 6.423 6.591 1.00 0.00 C ATOM 0 H MET A 122 -18.641 8.430 7.297 1.00 0.00 H new ATOM 0 HA MET A 122 -18.809 7.337 9.987 1.00 0.00 H new ATOM 0 HB2 MET A 122 -17.286 5.694 9.163 1.00 0.00 H new ATOM 0 HB3 MET A 122 -18.445 5.982 7.881 1.00 0.00 H new ATOM 0 HG2 MET A 122 -16.778 6.438 6.464 1.00 0.00 H new ATOM 0 HG3 MET A 122 -16.303 7.807 7.450 1.00 0.00 H new ATOM 0 HE1 MET A 122 -12.828 6.356 6.922 1.00 0.00 H new ATOM 0 HE2 MET A 122 -14.008 5.786 5.718 1.00 0.00 H new ATOM 0 HE3 MET A 122 -14.095 7.455 6.329 1.00 0.00 H new ATOM 2054 N PRO A 123 -16.731 8.221 11.119 1.00 0.00 N ATOM 2055 CA PRO A 123 -15.641 8.901 11.821 1.00 0.00 C ATOM 2056 C PRO A 123 -14.281 8.344 11.423 1.00 0.00 C ATOM 2057 O PRO A 123 -14.051 7.137 11.486 1.00 0.00 O ATOM 2058 CB PRO A 123 -15.932 8.607 13.293 1.00 0.00 C ATOM 2059 CG PRO A 123 -16.672 7.314 13.278 1.00 0.00 C ATOM 2060 CD PRO A 123 -17.478 7.308 12.006 1.00 0.00 C ATOM 0 HA PRO A 123 -15.598 9.965 11.590 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -15.011 8.530 13.872 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -16.528 9.400 13.745 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -15.983 6.470 13.306 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -17.320 7.226 14.150 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -17.550 6.307 11.582 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -18.497 7.657 12.175 1.00 0.00 H new ATOM 2068 N VAL A 124 -13.390 9.229 10.993 1.00 0.00 N ATOM 2069 CA VAL A 124 -12.060 8.822 10.563 1.00 0.00 C ATOM 2070 C VAL A 124 -10.968 9.505 11.374 1.00 0.00 C ATOM 2071 O VAL A 124 -11.154 10.610 11.884 1.00 0.00 O ATOM 2072 CB VAL A 124 -11.844 9.163 9.080 1.00 0.00 C ATOM 2073 CG1 VAL A 124 -10.720 8.332 8.485 1.00 0.00 C ATOM 2074 CG2 VAL A 124 -13.131 8.973 8.298 1.00 0.00 C ATOM 0 H VAL A 124 -13.565 10.232 10.933 1.00 0.00 H new ATOM 0 HA VAL A 124 -11.997 7.745 10.718 1.00 0.00 H new ATOM 0 HB VAL A 124 -11.553 10.211 9.012 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -10.590 8.595 7.435 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -9.795 8.531 9.026 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -10.968 7.274 8.566 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -12.960 9.219 7.250 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -13.456 7.936 8.379 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -13.903 9.628 8.703 1.00 0.00 H new ATOM 2084 N SER A 125 -9.821 8.845 11.470 1.00 0.00 N ATOM 2085 CA SER A 125 -8.682 9.392 12.198 1.00 0.00 C ATOM 2086 C SER A 125 -7.516 9.621 11.242 1.00 0.00 C ATOM 2087 O SER A 125 -7.514 9.093 10.131 1.00 0.00 O ATOM 2088 CB SER A 125 -8.262 8.444 13.323 1.00 0.00 C ATOM 2089 OG SER A 125 -9.380 8.035 14.092 1.00 0.00 O ATOM 0 H SER A 125 -9.654 7.929 11.053 1.00 0.00 H new ATOM 0 HA SER A 125 -8.973 10.345 12.639 1.00 0.00 H new ATOM 0 HB2 SER A 125 -7.769 7.569 12.900 1.00 0.00 H new ATOM 0 HB3 SER A 125 -7.535 8.939 13.967 1.00 0.00 H new ATOM 0 HG SER A 125 -9.084 7.429 14.803 1.00 0.00 H new ATOM 2095 N PRO A 126 -6.508 10.411 11.654 1.00 0.00 N ATOM 2096 CA PRO A 126 -5.336 10.696 10.816 1.00 0.00 C ATOM 2097 C PRO A 126 -4.630 9.415 10.383 1.00 0.00 C ATOM 2098 O PRO A 126 -3.587 9.053 10.925 1.00 0.00 O ATOM 2099 CB PRO A 126 -4.429 11.527 11.731 1.00 0.00 C ATOM 2100 CG PRO A 126 -5.344 12.104 12.756 1.00 0.00 C ATOM 2101 CD PRO A 126 -6.430 11.085 12.962 1.00 0.00 C ATOM 0 HA PRO A 126 -5.604 11.210 9.893 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -3.659 10.908 12.192 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -3.916 12.311 11.173 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -4.812 12.301 13.687 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -5.759 13.054 12.418 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -6.181 10.387 13.761 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -7.377 11.553 13.231 1.00 0.00 H new ATOM 2109 N ILE A 127 -5.225 8.721 9.414 1.00 0.00 N ATOM 2110 CA ILE A 127 -4.681 7.462 8.914 1.00 0.00 C ATOM 2111 C ILE A 127 -4.220 6.571 10.063 1.00 0.00 C ATOM 2112 O ILE A 127 -3.027 6.316 10.222 1.00 0.00 O ATOM 2113 CB ILE A 127 -3.502 7.675 7.942 1.00 0.00 C ATOM 2114 CG1 ILE A 127 -3.820 8.775 6.927 1.00 0.00 C ATOM 2115 CG2 ILE A 127 -3.172 6.370 7.227 1.00 0.00 C ATOM 2116 CD1 ILE A 127 -2.690 9.035 5.954 1.00 0.00 C ATOM 0 H ILE A 127 -6.089 9.013 8.958 1.00 0.00 H new ATOM 0 HA ILE A 127 -5.491 6.976 8.370 1.00 0.00 H new ATOM 0 HB ILE A 127 -2.633 7.992 8.520 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -4.714 8.498 6.369 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -4.050 9.697 7.461 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -2.339 6.531 6.543 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -2.898 5.612 7.961 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -4.043 6.033 6.665 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -2.980 9.826 5.262 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -1.800 9.342 6.503 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.475 8.124 5.395 1.00 0.00 H new ATOM 2128 N SER A 128 -5.174 6.093 10.861 1.00 0.00 N ATOM 2129 CA SER A 128 -4.860 5.221 11.991 1.00 0.00 C ATOM 2130 C SER A 128 -3.913 4.106 11.554 1.00 0.00 C ATOM 2131 O SER A 128 -3.129 3.588 12.350 1.00 0.00 O ATOM 2132 CB SER A 128 -6.141 4.622 12.575 1.00 0.00 C ATOM 2133 OG SER A 128 -6.606 5.385 13.674 1.00 0.00 O ATOM 0 H SER A 128 -6.167 6.294 10.746 1.00 0.00 H new ATOM 0 HA SER A 128 -4.370 5.817 12.760 1.00 0.00 H new ATOM 0 HB2 SER A 128 -6.911 4.581 11.805 1.00 0.00 H new ATOM 0 HB3 SER A 128 -5.954 3.596 12.893 1.00 0.00 H new ATOM 0 HG SER A 128 -7.426 4.982 14.028 1.00 0.00 H new ATOM 2139 N GLN A 129 -3.992 3.757 10.275 1.00 0.00 N ATOM 2140 CA GLN A 129 -3.148 2.720 9.700 1.00 0.00 C ATOM 2141 C GLN A 129 -1.669 3.055 9.886 1.00 0.00 C ATOM 2142 O GLN A 129 -0.812 2.171 9.839 1.00 0.00 O ATOM 2143 CB GLN A 129 -3.452 2.572 8.206 1.00 0.00 C ATOM 2144 CG GLN A 129 -4.922 2.329 7.893 1.00 0.00 C ATOM 2145 CD GLN A 129 -5.708 3.611 7.684 1.00 0.00 C ATOM 2146 OE1 GLN A 129 -5.206 4.706 7.929 1.00 0.00 O ATOM 2147 NE2 GLN A 129 -6.953 3.478 7.234 1.00 0.00 N ATOM 0 H GLN A 129 -4.639 4.183 9.612 1.00 0.00 H new ATOM 0 HA GLN A 129 -3.361 1.783 10.214 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -3.125 3.474 7.688 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -2.865 1.745 7.807 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -4.999 1.713 6.997 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -5.372 1.763 8.709 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -7.330 2.550 7.044 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -7.530 4.304 7.079 1.00 0.00 H new ATOM 2156 N GLY A 130 -1.374 4.338 10.082 1.00 0.00 N ATOM 2157 CA GLY A 130 0.001 4.769 10.255 1.00 0.00 C ATOM 2158 C GLY A 130 0.642 5.126 8.931 1.00 0.00 C ATOM 2159 O GLY A 130 1.371 4.324 8.354 1.00 0.00 O ATOM 0 H GLY A 130 -2.065 5.087 10.124 1.00 0.00 H new ATOM 0 HA2 GLY A 130 0.032 5.632 10.920 1.00 0.00 H new ATOM 0 HA3 GLY A 130 0.574 3.976 10.736 1.00 0.00 H new ATOM 2163 N ALA A 131 0.357 6.330 8.441 1.00 0.00 N ATOM 2164 CA ALA A 131 0.889 6.797 7.161 1.00 0.00 C ATOM 2165 C ALA A 131 2.401 7.038 7.188 1.00 0.00 C ATOM 2166 O ALA A 131 2.927 7.766 6.346 1.00 0.00 O ATOM 2167 CB ALA A 131 0.167 8.065 6.731 1.00 0.00 C ATOM 0 H ALA A 131 -0.244 7.005 8.914 1.00 0.00 H new ATOM 0 HA ALA A 131 0.712 6.001 6.438 1.00 0.00 H new ATOM 0 HB1 ALA A 131 0.569 8.407 5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -0.898 7.859 6.623 1.00 0.00 H new ATOM 0 HB3 ALA A 131 0.312 8.840 7.484 1.00 0.00 H new ATOM 2173 N SER A 132 3.101 6.428 8.140 1.00 0.00 N ATOM 2174 CA SER A 132 4.547 6.592 8.237 1.00 0.00 C ATOM 2175 C SER A 132 5.280 5.568 7.368 1.00 0.00 C ATOM 2176 O SER A 132 6.492 5.396 7.490 1.00 0.00 O ATOM 2177 CB SER A 132 4.996 6.447 9.689 1.00 0.00 C ATOM 2178 OG SER A 132 4.497 7.507 10.486 1.00 0.00 O ATOM 0 H SER A 132 2.694 5.820 8.850 1.00 0.00 H new ATOM 0 HA SER A 132 4.796 7.590 7.877 1.00 0.00 H new ATOM 0 HB2 SER A 132 4.648 5.494 10.087 1.00 0.00 H new ATOM 0 HB3 SER A 132 6.085 6.434 9.737 1.00 0.00 H new ATOM 0 HG SER A 132 4.797 7.390 11.411 1.00 0.00 H new ATOM 2184 N TRP A 133 4.539 4.885 6.495 1.00 0.00 N ATOM 2185 CA TRP A 133 5.130 3.874 5.614 1.00 0.00 C ATOM 2186 C TRP A 133 6.355 4.421 4.886 1.00 0.00 C ATOM 2187 O TRP A 133 7.385 3.755 4.801 1.00 0.00 O ATOM 2188 CB TRP A 133 4.118 3.371 4.573 1.00 0.00 C ATOM 2189 CG TRP A 133 2.683 3.410 5.012 1.00 0.00 C ATOM 2190 CD1 TRP A 133 2.169 2.976 6.199 1.00 0.00 C ATOM 2191 CD2 TRP A 133 1.574 3.903 4.253 1.00 0.00 C ATOM 2192 NE1 TRP A 133 0.807 3.172 6.221 1.00 0.00 N ATOM 2193 CE2 TRP A 133 0.419 3.740 5.038 1.00 0.00 C ATOM 2194 CE3 TRP A 133 1.448 4.469 2.984 1.00 0.00 C ATOM 2195 CZ2 TRP A 133 -0.844 4.122 4.595 1.00 0.00 C ATOM 2196 CZ3 TRP A 133 0.195 4.847 2.543 1.00 0.00 C ATOM 2197 CH2 TRP A 133 -0.938 4.672 3.346 1.00 0.00 C ATOM 0 H TRP A 133 3.534 5.011 6.378 1.00 0.00 H new ATOM 0 HA TRP A 133 5.429 3.043 6.252 1.00 0.00 H new ATOM 0 HB2 TRP A 133 4.222 3.970 3.668 1.00 0.00 H new ATOM 0 HB3 TRP A 133 4.373 2.345 4.307 1.00 0.00 H new ATOM 0 HD1 TRP A 133 2.746 2.543 7.003 1.00 0.00 H new ATOM 0 HE1 TRP A 133 0.187 2.932 6.994 1.00 0.00 H new ATOM 0 HE3 TRP A 133 2.316 4.609 2.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -1.718 3.989 5.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 0.088 5.285 1.562 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -1.904 4.977 2.973 1.00 0.00 H new ATOM 2208 N ALA A 134 6.229 5.631 4.349 1.00 0.00 N ATOM 2209 CA ALA A 134 7.319 6.262 3.613 1.00 0.00 C ATOM 2210 C ALA A 134 8.574 6.383 4.468 1.00 0.00 C ATOM 2211 O ALA A 134 9.671 6.039 4.030 1.00 0.00 O ATOM 2212 CB ALA A 134 6.889 7.632 3.109 1.00 0.00 C ATOM 0 H ALA A 134 5.381 6.195 4.410 1.00 0.00 H new ATOM 0 HA ALA A 134 7.558 5.627 2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 134 7.711 8.093 2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 134 6.029 7.523 2.448 1.00 0.00 H new ATOM 0 HB3 ALA A 134 6.619 8.263 3.956 1.00 0.00 H new ATOM 2218 N GLN A 135 8.405 6.880 5.686 1.00 0.00 N ATOM 2219 CA GLN A 135 9.526 7.052 6.602 1.00 0.00 C ATOM 2220 C GLN A 135 10.177 5.711 6.930 1.00 0.00 C ATOM 2221 O GLN A 135 11.398 5.615 7.051 1.00 0.00 O ATOM 2222 CB GLN A 135 9.060 7.734 7.889 1.00 0.00 C ATOM 2223 CG GLN A 135 8.152 8.931 7.649 1.00 0.00 C ATOM 2224 CD GLN A 135 8.533 10.131 8.493 1.00 0.00 C ATOM 2225 OE1 GLN A 135 8.709 11.235 7.980 1.00 0.00 O ATOM 2226 NE2 GLN A 135 8.665 9.919 9.798 1.00 0.00 N ATOM 0 H GLN A 135 7.503 7.171 6.063 1.00 0.00 H new ATOM 0 HA GLN A 135 10.267 7.683 6.112 1.00 0.00 H new ATOM 0 HB2 GLN A 135 8.533 7.006 8.506 1.00 0.00 H new ATOM 0 HB3 GLN A 135 9.933 8.058 8.455 1.00 0.00 H new ATOM 0 HG2 GLN A 135 8.191 9.206 6.595 1.00 0.00 H new ATOM 0 HG3 GLN A 135 7.122 8.650 7.868 1.00 0.00 H new ATOM 0 HE21 GLN A 135 8.510 8.987 10.182 1.00 0.00 H new ATOM 0 HE22 GLN A 135 8.922 10.689 10.416 1.00 0.00 H new ATOM 2235 N GLU A 136 9.352 4.680 7.077 1.00 0.00 N ATOM 2236 CA GLU A 136 9.843 3.345 7.400 1.00 0.00 C ATOM 2237 C GLU A 136 10.371 2.629 6.159 1.00 0.00 C ATOM 2238 O GLU A 136 11.246 1.770 6.255 1.00 0.00 O ATOM 2239 CB GLU A 136 8.730 2.514 8.039 1.00 0.00 C ATOM 2240 CG GLU A 136 8.643 2.672 9.548 1.00 0.00 C ATOM 2241 CD GLU A 136 9.515 1.678 10.290 1.00 0.00 C ATOM 2242 OE1 GLU A 136 9.350 0.461 10.065 1.00 0.00 O ATOM 2243 OE2 GLU A 136 10.362 2.118 11.095 1.00 0.00 O ATOM 0 H GLU A 136 8.339 4.743 6.977 1.00 0.00 H new ATOM 0 HA GLU A 136 10.666 3.456 8.106 1.00 0.00 H new ATOM 0 HB2 GLU A 136 7.775 2.799 7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 136 8.891 1.463 7.801 1.00 0.00 H new ATOM 0 HG2 GLU A 136 8.940 3.685 9.821 1.00 0.00 H new ATOM 0 HG3 GLU A 136 7.607 2.547 9.863 1.00 0.00 H new ATOM 2250 N ASP A 137 9.831 2.979 4.996 1.00 0.00 N ATOM 2251 CA ASP A 137 10.248 2.359 3.746 1.00 0.00 C ATOM 2252 C ASP A 137 11.631 2.839 3.328 1.00 0.00 C ATOM 2253 O ASP A 137 12.459 2.050 2.871 1.00 0.00 O ATOM 2254 CB ASP A 137 9.237 2.657 2.638 1.00 0.00 C ATOM 2255 CG ASP A 137 8.425 1.435 2.255 1.00 0.00 C ATOM 2256 OD1 ASP A 137 7.870 0.782 3.164 1.00 0.00 O ATOM 2257 OD2 ASP A 137 8.346 1.131 1.046 1.00 0.00 O ATOM 0 H ASP A 137 9.105 3.688 4.894 1.00 0.00 H new ATOM 0 HA ASP A 137 10.293 1.282 3.908 1.00 0.00 H new ATOM 0 HB2 ASP A 137 8.564 3.449 2.967 1.00 0.00 H new ATOM 0 HB3 ASP A 137 9.764 3.030 1.760 1.00 0.00 H new ATOM 2262 N GLN A 138 11.880 4.135 3.480 1.00 0.00 N ATOM 2263 CA GLN A 138 13.169 4.700 3.108 1.00 0.00 C ATOM 2264 C GLN A 138 14.255 4.250 4.076 1.00 0.00 C ATOM 2265 O GLN A 138 15.395 4.015 3.675 1.00 0.00 O ATOM 2266 CB GLN A 138 13.096 6.228 3.036 1.00 0.00 C ATOM 2267 CG GLN A 138 13.166 6.923 4.383 1.00 0.00 C ATOM 2268 CD GLN A 138 14.456 7.700 4.579 1.00 0.00 C ATOM 2269 OE1 GLN A 138 14.463 8.762 5.201 1.00 0.00 O ATOM 2270 NE2 GLN A 138 15.557 7.174 4.049 1.00 0.00 N ATOM 0 H GLN A 138 11.212 4.808 3.855 1.00 0.00 H new ATOM 0 HA GLN A 138 13.428 4.331 2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 138 13.913 6.590 2.411 1.00 0.00 H new ATOM 0 HB3 GLN A 138 12.167 6.512 2.542 1.00 0.00 H new ATOM 0 HG2 GLN A 138 12.320 7.603 4.480 1.00 0.00 H new ATOM 0 HG3 GLN A 138 13.071 6.180 5.175 1.00 0.00 H new ATOM 0 HE21 GLN A 138 15.507 6.291 3.541 1.00 0.00 H new ATOM 0 HE22 GLN A 138 16.451 7.654 4.151 1.00 0.00 H new ATOM 2279 N GLN A 139 13.894 4.108 5.347 1.00 0.00 N ATOM 2280 CA GLN A 139 14.847 3.658 6.351 1.00 0.00 C ATOM 2281 C GLN A 139 15.292 2.243 6.014 1.00 0.00 C ATOM 2282 O GLN A 139 16.467 1.899 6.132 1.00 0.00 O ATOM 2283 CB GLN A 139 14.221 3.699 7.746 1.00 0.00 C ATOM 2284 CG GLN A 139 14.226 5.084 8.374 1.00 0.00 C ATOM 2285 CD GLN A 139 14.670 5.067 9.824 1.00 0.00 C ATOM 2286 OE1 GLN A 139 15.718 4.513 10.158 1.00 0.00 O ATOM 2287 NE2 GLN A 139 13.872 5.673 10.695 1.00 0.00 N ATOM 0 H GLN A 139 12.957 4.296 5.703 1.00 0.00 H new ATOM 0 HA GLN A 139 15.710 4.323 6.350 1.00 0.00 H new ATOM 0 HB2 GLN A 139 13.193 3.340 7.685 1.00 0.00 H new ATOM 0 HB3 GLN A 139 14.760 3.012 8.398 1.00 0.00 H new ATOM 0 HG2 GLN A 139 14.888 5.735 7.803 1.00 0.00 H new ATOM 0 HG3 GLN A 139 13.225 5.511 8.310 1.00 0.00 H new ATOM 0 HE21 GLN A 139 13.013 6.120 10.374 1.00 0.00 H new ATOM 0 HE22 GLN A 139 14.118 5.692 11.685 1.00 0.00 H new ATOM 2296 N ASP A 140 14.334 1.439 5.567 1.00 0.00 N ATOM 2297 CA ASP A 140 14.602 0.062 5.179 1.00 0.00 C ATOM 2298 C ASP A 140 15.223 0.012 3.786 1.00 0.00 C ATOM 2299 O ASP A 140 15.906 -0.948 3.438 1.00 0.00 O ATOM 2300 CB ASP A 140 13.310 -0.754 5.204 1.00 0.00 C ATOM 2301 CG ASP A 140 13.550 -2.210 5.550 1.00 0.00 C ATOM 2302 OD1 ASP A 140 13.691 -2.519 6.751 1.00 0.00 O ATOM 2303 OD2 ASP A 140 13.597 -3.040 4.619 1.00 0.00 O ATOM 0 H ASP A 140 13.359 1.721 5.464 1.00 0.00 H new ATOM 0 HA ASP A 140 15.306 -0.367 5.892 1.00 0.00 H new ATOM 0 HB2 ASP A 140 12.624 -0.320 5.931 1.00 0.00 H new ATOM 0 HB3 ASP A 140 12.825 -0.690 4.230 1.00 0.00 H new ATOM 2308 N ALA A 141 14.984 1.060 2.999 1.00 0.00 N ATOM 2309 CA ALA A 141 15.525 1.151 1.648 1.00 0.00 C ATOM 2310 C ALA A 141 17.018 1.436 1.702 1.00 0.00 C ATOM 2311 O ALA A 141 17.829 0.655 1.205 1.00 0.00 O ATOM 2312 CB ALA A 141 14.806 2.234 0.851 1.00 0.00 C ATOM 0 H ALA A 141 14.416 1.860 3.278 1.00 0.00 H new ATOM 0 HA ALA A 141 15.366 0.197 1.146 1.00 0.00 H new ATOM 0 HB1 ALA A 141 15.225 2.285 -0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 141 13.744 1.996 0.790 1.00 0.00 H new ATOM 0 HB3 ALA A 141 14.934 3.196 1.347 1.00 0.00 H new ATOM 2318 N ASP A 142 17.375 2.555 2.327 1.00 0.00 N ATOM 2319 CA ASP A 142 18.776 2.934 2.467 1.00 0.00 C ATOM 2320 C ASP A 142 19.558 1.790 3.096 1.00 0.00 C ATOM 2321 O ASP A 142 20.726 1.567 2.777 1.00 0.00 O ATOM 2322 CB ASP A 142 18.907 4.195 3.322 1.00 0.00 C ATOM 2323 CG ASP A 142 18.480 5.445 2.578 1.00 0.00 C ATOM 2324 OD1 ASP A 142 18.639 5.481 1.340 1.00 0.00 O ATOM 2325 OD2 ASP A 142 17.987 6.386 3.234 1.00 0.00 O ATOM 0 H ASP A 142 16.715 3.212 2.743 1.00 0.00 H new ATOM 0 HA ASP A 142 19.184 3.145 1.478 1.00 0.00 H new ATOM 0 HB2 ASP A 142 18.300 4.086 4.221 1.00 0.00 H new ATOM 0 HB3 ASP A 142 19.942 4.304 3.647 1.00 0.00 H new ATOM 2330 N GLU A 143 18.889 1.053 3.980 1.00 0.00 N ATOM 2331 CA GLU A 143 19.495 -0.084 4.646 1.00 0.00 C ATOM 2332 C GLU A 143 19.464 -1.290 3.720 1.00 0.00 C ATOM 2333 O GLU A 143 20.433 -2.037 3.616 1.00 0.00 O ATOM 2334 CB GLU A 143 18.738 -0.368 5.949 1.00 0.00 C ATOM 2335 CG GLU A 143 18.062 -1.730 6.017 1.00 0.00 C ATOM 2336 CD GLU A 143 19.048 -2.870 6.174 1.00 0.00 C ATOM 2337 OE1 GLU A 143 20.113 -2.654 6.793 1.00 0.00 O ATOM 2338 OE2 GLU A 143 18.758 -3.980 5.681 1.00 0.00 O ATOM 0 H GLU A 143 17.921 1.229 4.249 1.00 0.00 H new ATOM 0 HA GLU A 143 20.535 0.133 4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 143 19.435 -0.283 6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 143 17.981 0.404 6.087 1.00 0.00 H new ATOM 0 HG2 GLU A 143 17.364 -1.742 6.854 1.00 0.00 H new ATOM 0 HG3 GLU A 143 17.476 -1.885 5.111 1.00 0.00 H new ATOM 2345 N ASP A 144 18.329 -1.467 3.050 1.00 0.00 N ATOM 2346 CA ASP A 144 18.149 -2.583 2.121 1.00 0.00 C ATOM 2347 C ASP A 144 19.357 -2.736 1.198 1.00 0.00 C ATOM 2348 O ASP A 144 20.038 -3.761 1.214 1.00 0.00 O ATOM 2349 CB ASP A 144 16.882 -2.385 1.282 1.00 0.00 C ATOM 2350 CG ASP A 144 15.784 -3.364 1.650 1.00 0.00 C ATOM 2351 OD1 ASP A 144 15.027 -3.079 2.601 1.00 0.00 O ATOM 2352 OD2 ASP A 144 15.681 -4.417 0.986 1.00 0.00 O ATOM 0 H ASP A 144 17.519 -0.853 3.132 1.00 0.00 H new ATOM 0 HA ASP A 144 18.049 -3.492 2.714 1.00 0.00 H new ATOM 0 HB2 ASP A 144 16.517 -1.367 1.416 1.00 0.00 H new ATOM 0 HB3 ASP A 144 17.128 -2.499 0.226 1.00 0.00 H new ATOM 2357 N ARG A 145 19.609 -1.711 0.392 1.00 0.00 N ATOM 2358 CA ARG A 145 20.731 -1.732 -0.544 1.00 0.00 C ATOM 2359 C ARG A 145 22.063 -1.858 0.194 1.00 0.00 C ATOM 2360 O ARG A 145 22.906 -2.677 -0.169 1.00 0.00 O ATOM 2361 CB ARG A 145 20.736 -0.477 -1.425 1.00 0.00 C ATOM 2362 CG ARG A 145 20.266 0.785 -0.717 1.00 0.00 C ATOM 2363 CD ARG A 145 20.603 2.032 -1.517 1.00 0.00 C ATOM 2364 NE ARG A 145 21.844 2.656 -1.065 1.00 0.00 N ATOM 2365 CZ ARG A 145 22.179 3.917 -1.326 1.00 0.00 C ATOM 2366 NH1 ARG A 145 21.368 4.692 -2.036 1.00 0.00 N ATOM 2367 NH2 ARG A 145 23.326 4.405 -0.876 1.00 0.00 N ATOM 0 H ARG A 145 19.054 -0.856 0.366 1.00 0.00 H new ATOM 0 HA ARG A 145 20.606 -2.606 -1.183 1.00 0.00 H new ATOM 0 HB2 ARG A 145 21.746 -0.314 -1.800 1.00 0.00 H new ATOM 0 HB3 ARG A 145 20.098 -0.653 -2.291 1.00 0.00 H new ATOM 0 HG2 ARG A 145 19.189 0.734 -0.558 1.00 0.00 H new ATOM 0 HG3 ARG A 145 20.731 0.846 0.267 1.00 0.00 H new ATOM 0 HD2 ARG A 145 20.692 1.772 -2.572 1.00 0.00 H new ATOM 0 HD3 ARG A 145 19.786 2.748 -1.432 1.00 0.00 H new ATOM 0 HE ARG A 145 22.493 2.091 -0.516 1.00 0.00 H new ATOM 0 HH11 ARG A 145 20.484 4.321 -2.384 1.00 0.00 H new ATOM 0 HH12 ARG A 145 21.629 5.658 -2.233 1.00 0.00 H new ATOM 0 HH21 ARG A 145 23.952 3.814 -0.329 1.00 0.00 H new ATOM 0 HH22 ARG A 145 23.583 5.372 -1.076 1.00 0.00 H new