USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 815 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 122 THR OG1 : rot 180:sc= -1.1 USER MOD Set 1.2: A 131 THR OG1 : rot 180:sc= -1.36 USER MOD Set 2.1: A 108 SER OG : rot 180:sc= 0.984 USER MOD Set 2.2: A 124 THR OG1 : rot -120:sc= 1.2 USER MOD Set 3.1: A 95 CYS SG : rot -169:sc= -1.89 USER MOD Set 3.2: A 97 GLN : amide:sc= -1.51 K(o=-3.4,f=-5.1!) USER MOD Set 4.1: A 44 LYS NZ :NH3+ -148:sc= 1.13 (180deg=-0.931!) USER MOD Set 4.2: A 51 TYR OH : rot -149:sc= -2.72! USER MOD Single : A 4 SER OG : rot -1:sc= 1.05 USER MOD Single : A 6 ASN : amide:sc= -2.67 K(o=-2.7,f=-5.3!) USER MOD Single : A 8 LYS NZ :NH3+ -177:sc= -2.72 (180deg=-2.77) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -2.27 X(o=-2.3,f=-2.3) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -4.15! C(o=-4.2!,f=-6.3!) USER MOD Single : A 49 THR OG1 : rot 160:sc= -1.06 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN :FLIP amide:sc= 0.0418 F(o=-1.6!,f=0.042) USER MOD Single : A 66 LYS NZ :NH3+ 163:sc=-0.00633 (180deg=-0.1) USER MOD Single : A 81 CYS SG : rot -29:sc= -0.0397 USER MOD Single : A 82 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.746) USER MOD Single : A 83 SER OG : rot 122:sc= 0.598 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 131:sc= -4.39 USER MOD Single : A 91 ASN : amide:sc= -1.41 K(o=-1.4,f=-7.7!) USER MOD Single : A 92 LYS NZ :NH3+ 162:sc= -1.88 (180deg=-2.57!) USER MOD Single : A 93 MET CE :methyl 168:sc= -4.6! (180deg=-4.64!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -140:sc= -1.16 (180deg=-2.39!) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.021 USER MOD Single : A 110 THR OG1 : rot 8:sc= 0.741! USER MOD Single : A 123 MET CE :methyl -165:sc= -0.432 (180deg=-1.02) USER MOD Single : A 130 CYS SG : rot 180:sc= -0.0918 USER MOD Single : A 134 TYR OH : rot 180:sc= -1.04 USER MOD ----------------------------------------------------------------- ATOM 31 N PHE A 3 -12.897 3.660 5.993 1.00 0.00 N ATOM 32 CA PHE A 3 -12.150 3.322 4.721 1.00 0.00 C ATOM 33 C PHE A 3 -12.933 3.785 3.475 1.00 0.00 C ATOM 34 O PHE A 3 -12.370 4.385 2.579 1.00 0.00 O ATOM 35 CB PHE A 3 -11.873 1.816 4.565 1.00 0.00 C ATOM 36 CG PHE A 3 -11.042 1.283 5.706 1.00 0.00 C ATOM 37 CD1 PHE A 3 -11.658 0.841 6.881 1.00 0.00 C ATOM 38 CD2 PHE A 3 -9.651 1.182 5.571 1.00 0.00 C ATOM 39 CE1 PHE A 3 -10.907 0.302 7.905 1.00 0.00 C ATOM 40 CE2 PHE A 3 -8.892 0.646 6.612 1.00 0.00 C ATOM 41 CZ PHE A 3 -9.529 0.197 7.783 1.00 0.00 C ATOM 0 HA PHE A 3 -11.199 3.849 4.800 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -12.818 1.275 4.518 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.356 1.636 3.622 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -12.730 0.922 6.988 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -9.168 1.518 4.665 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -11.394 -0.040 8.806 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -7.818 0.576 6.519 1.00 0.00 H new ATOM 0 HZ PHE A 3 -8.946 -0.229 8.586 1.00 0.00 H new ATOM 51 N SER A 4 -14.212 3.486 3.389 1.00 0.00 N ATOM 52 CA SER A 4 -15.019 3.873 2.188 1.00 0.00 C ATOM 53 C SER A 4 -14.848 5.363 1.861 1.00 0.00 C ATOM 54 O SER A 4 -15.262 6.220 2.621 1.00 0.00 O ATOM 55 CB SER A 4 -16.498 3.596 2.464 1.00 0.00 C ATOM 56 OG SER A 4 -17.023 4.608 3.315 1.00 0.00 O ATOM 0 H SER A 4 -14.733 2.985 4.109 1.00 0.00 H new ATOM 0 HA SER A 4 -14.669 3.286 1.338 1.00 0.00 H new ATOM 0 HB2 SER A 4 -17.054 3.570 1.527 1.00 0.00 H new ATOM 0 HB3 SER A 4 -16.614 2.618 2.931 1.00 0.00 H new ATOM 0 HG SER A 4 -16.315 5.247 3.539 1.00 0.00 H new ATOM 62 N GLY A 5 -14.260 5.676 0.733 1.00 0.00 N ATOM 63 CA GLY A 5 -14.086 7.110 0.356 1.00 0.00 C ATOM 64 C GLY A 5 -12.821 7.282 -0.468 1.00 0.00 C ATOM 65 O GLY A 5 -11.887 6.513 -0.365 1.00 0.00 O ATOM 0 H GLY A 5 -13.895 5.002 0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -14.950 7.452 -0.214 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.032 7.726 1.253 1.00 0.00 H new ATOM 69 N ASN A 6 -12.782 8.311 -1.263 1.00 0.00 N ATOM 70 CA ASN A 6 -11.576 8.583 -2.084 1.00 0.00 C ATOM 71 C ASN A 6 -10.530 9.160 -1.152 1.00 0.00 C ATOM 72 O ASN A 6 -10.871 9.665 -0.096 1.00 0.00 O ATOM 73 CB ASN A 6 -11.906 9.587 -3.192 1.00 0.00 C ATOM 74 CG ASN A 6 -10.683 9.776 -4.091 1.00 0.00 C ATOM 75 OD1 ASN A 6 -9.734 10.435 -3.715 1.00 0.00 O ATOM 76 ND2 ASN A 6 -10.664 9.221 -5.272 1.00 0.00 N ATOM 0 H ASN A 6 -13.542 8.981 -1.379 1.00 0.00 H new ATOM 0 HA ASN A 6 -11.215 7.671 -2.559 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -12.751 9.230 -3.780 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -12.201 10.542 -2.756 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -9.853 9.341 -5.879 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -11.460 8.668 -5.588 1.00 0.00 H new ATOM 83 N TRP A 7 -9.267 9.064 -1.484 1.00 0.00 N ATOM 84 CA TRP A 7 -8.244 9.592 -0.533 1.00 0.00 C ATOM 85 C TRP A 7 -7.181 10.439 -1.210 1.00 0.00 C ATOM 86 O TRP A 7 -6.596 10.058 -2.205 1.00 0.00 O ATOM 87 CB TRP A 7 -7.568 8.425 0.150 1.00 0.00 C ATOM 88 CG TRP A 7 -8.585 7.622 0.868 1.00 0.00 C ATOM 89 CD1 TRP A 7 -9.170 6.504 0.400 1.00 0.00 C ATOM 90 CD2 TRP A 7 -9.165 7.884 2.162 1.00 0.00 C ATOM 91 NE1 TRP A 7 -10.037 6.024 1.362 1.00 0.00 N ATOM 92 CE2 TRP A 7 -10.078 6.853 2.468 1.00 0.00 C ATOM 93 CE3 TRP A 7 -8.970 8.906 3.094 1.00 0.00 C ATOM 94 CZ2 TRP A 7 -10.780 6.840 3.675 1.00 0.00 C ATOM 95 CZ3 TRP A 7 -9.675 8.915 4.295 1.00 0.00 C ATOM 96 CH2 TRP A 7 -10.582 7.882 4.594 1.00 0.00 C ATOM 0 H TRP A 7 -8.908 8.655 -2.347 1.00 0.00 H new ATOM 0 HA TRP A 7 -8.765 10.232 0.179 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -7.053 7.807 -0.585 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -6.813 8.785 0.849 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -8.991 6.057 -0.567 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -10.579 5.165 1.268 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -8.266 9.697 2.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -11.467 6.037 3.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -9.525 9.719 5.000 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -11.124 7.891 5.528 1.00 0.00 H new ATOM 107 N LYS A 8 -6.909 11.580 -0.634 1.00 0.00 N ATOM 108 CA LYS A 8 -5.858 12.470 -1.183 1.00 0.00 C ATOM 109 C LYS A 8 -4.560 12.166 -0.433 1.00 0.00 C ATOM 110 O LYS A 8 -4.590 11.666 0.677 1.00 0.00 O ATOM 111 CB LYS A 8 -6.222 13.954 -0.967 1.00 0.00 C ATOM 112 CG LYS A 8 -7.747 14.159 -0.913 1.00 0.00 C ATOM 113 CD LYS A 8 -8.187 14.306 0.544 1.00 0.00 C ATOM 114 CE LYS A 8 -8.184 15.787 0.934 1.00 0.00 C ATOM 115 NZ LYS A 8 -6.838 16.371 0.671 1.00 0.00 N ATOM 0 H LYS A 8 -7.377 11.932 0.201 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.755 12.296 -2.254 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.773 14.308 -0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.802 14.554 -1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.026 15.047 -1.480 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.256 13.313 -1.375 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -9.184 13.886 0.678 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.516 13.746 1.195 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.942 16.325 0.365 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.439 15.896 1.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.823 17.363 0.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.118 15.832 1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.633 16.326 -0.348 1.00 0.00 H new ATOM 129 N ILE A 9 -3.426 12.460 -1.017 1.00 0.00 N ATOM 130 CA ILE A 9 -2.139 12.181 -0.317 1.00 0.00 C ATOM 131 C ILE A 9 -1.916 13.255 0.758 1.00 0.00 C ATOM 132 O ILE A 9 -2.233 14.415 0.573 1.00 0.00 O ATOM 133 CB ILE A 9 -0.986 12.119 -1.359 1.00 0.00 C ATOM 134 CG1 ILE A 9 -0.040 10.961 -1.007 1.00 0.00 C ATOM 135 CG2 ILE A 9 -0.181 13.428 -1.427 1.00 0.00 C ATOM 136 CD1 ILE A 9 0.587 11.186 0.374 1.00 0.00 C ATOM 0 H ILE A 9 -3.337 12.879 -1.943 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.166 11.214 0.185 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.441 11.962 -2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.589 10.019 -1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.743 10.881 -1.761 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.611 13.330 -2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.842 14.248 -1.708 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.260 13.635 -0.452 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.255 10.357 0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.152 12.118 0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.200 11.243 1.126 1.00 0.00 H new ATOM 148 N ILE A 10 -1.378 12.860 1.873 1.00 0.00 N ATOM 149 CA ILE A 10 -1.128 13.810 2.983 1.00 0.00 C ATOM 150 C ILE A 10 0.075 13.290 3.785 1.00 0.00 C ATOM 151 O ILE A 10 0.003 12.268 4.431 1.00 0.00 O ATOM 152 CB ILE A 10 -2.408 13.892 3.845 1.00 0.00 C ATOM 153 CG1 ILE A 10 -3.447 14.763 3.120 1.00 0.00 C ATOM 154 CG2 ILE A 10 -2.125 14.502 5.225 1.00 0.00 C ATOM 155 CD1 ILE A 10 -4.425 13.879 2.337 1.00 0.00 C ATOM 0 H ILE A 10 -1.096 11.899 2.064 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.896 14.813 2.625 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.783 12.879 3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.992 15.369 3.843 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.945 15.452 2.441 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.049 14.543 5.801 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.396 13.887 5.752 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.729 15.510 5.103 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.156 14.507 1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.876 13.292 1.601 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.940 13.208 3.025 1.00 0.00 H new ATOM 167 N ARG A 11 1.177 13.988 3.719 1.00 0.00 N ATOM 168 CA ARG A 11 2.412 13.565 4.450 1.00 0.00 C ATOM 169 C ARG A 11 2.880 12.201 3.940 1.00 0.00 C ATOM 170 O ARG A 11 2.203 11.204 4.093 1.00 0.00 O ATOM 171 CB ARG A 11 2.130 13.491 5.956 1.00 0.00 C ATOM 172 CG ARG A 11 2.195 14.898 6.557 1.00 0.00 C ATOM 173 CD ARG A 11 1.081 15.761 5.961 1.00 0.00 C ATOM 174 NE ARG A 11 0.828 16.931 6.849 1.00 0.00 N ATOM 175 CZ ARG A 11 0.237 17.994 6.374 1.00 0.00 C ATOM 176 NH1 ARG A 11 0.700 18.572 5.300 1.00 0.00 N ATOM 177 NH2 ARG A 11 -0.816 18.477 6.974 1.00 0.00 N ATOM 0 H ARG A 11 1.277 14.849 3.181 1.00 0.00 H new ATOM 0 HA ARG A 11 3.198 14.299 4.272 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.147 13.054 6.132 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.859 12.842 6.442 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.089 14.847 7.641 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.167 15.348 6.352 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.364 16.102 4.965 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.171 15.172 5.850 1.00 0.00 H new ATOM 0 HE ARG A 11 1.116 16.901 7.827 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.523 18.193 4.832 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.239 19.402 4.929 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.177 18.024 7.814 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.278 19.307 6.603 1.00 0.00 H new ATOM 191 N SER A 12 4.039 12.154 3.332 1.00 0.00 N ATOM 192 CA SER A 12 4.558 10.859 2.806 1.00 0.00 C ATOM 193 C SER A 12 5.990 10.626 3.316 1.00 0.00 C ATOM 194 O SER A 12 6.187 9.996 4.338 1.00 0.00 O ATOM 195 CB SER A 12 4.525 10.884 1.273 1.00 0.00 C ATOM 196 OG SER A 12 5.110 9.689 0.771 1.00 0.00 O ATOM 0 H SER A 12 4.647 12.958 3.178 1.00 0.00 H new ATOM 0 HA SER A 12 3.931 10.040 3.158 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.497 10.975 0.921 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.068 11.753 0.900 1.00 0.00 H new ATOM 0 HG SER A 12 5.089 9.701 -0.209 1.00 0.00 H new ATOM 202 N GLU A 13 6.996 11.119 2.620 1.00 0.00 N ATOM 203 CA GLU A 13 8.409 10.913 3.076 1.00 0.00 C ATOM 204 C GLU A 13 8.670 9.419 3.306 1.00 0.00 C ATOM 205 O GLU A 13 8.561 8.930 4.414 1.00 0.00 O ATOM 206 CB GLU A 13 8.638 11.677 4.382 1.00 0.00 C ATOM 207 CG GLU A 13 10.140 11.809 4.642 1.00 0.00 C ATOM 208 CD GLU A 13 10.376 12.799 5.783 1.00 0.00 C ATOM 209 OE1 GLU A 13 10.142 12.428 6.922 1.00 0.00 O ATOM 210 OE2 GLU A 13 10.785 13.913 5.500 1.00 0.00 O ATOM 0 H GLU A 13 6.896 11.654 1.757 1.00 0.00 H new ATOM 0 HA GLU A 13 9.091 11.282 2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.181 12.665 4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.160 11.154 5.210 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.562 10.837 4.897 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.647 12.150 3.740 1.00 0.00 H new ATOM 217 N ASN A 14 9.005 8.696 2.266 1.00 0.00 N ATOM 218 CA ASN A 14 9.262 7.230 2.423 1.00 0.00 C ATOM 219 C ASN A 14 9.850 6.642 1.135 1.00 0.00 C ATOM 220 O ASN A 14 10.651 5.736 1.191 1.00 0.00 O ATOM 221 CB ASN A 14 7.947 6.515 2.751 1.00 0.00 C ATOM 222 CG ASN A 14 7.840 6.295 4.262 1.00 0.00 C ATOM 223 OD1 ASN A 14 8.598 5.536 4.833 1.00 0.00 O ATOM 224 ND2 ASN A 14 6.923 6.933 4.939 1.00 0.00 N ATOM 0 H ASN A 14 9.112 9.056 1.318 1.00 0.00 H new ATOM 0 HA ASN A 14 9.978 7.087 3.232 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.102 7.108 2.400 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.903 5.558 2.231 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.844 6.794 5.946 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.286 7.570 4.460 1.00 0.00 H new ATOM 231 N PHE A 15 9.446 7.136 -0.021 1.00 0.00 N ATOM 232 CA PHE A 15 9.964 6.594 -1.332 1.00 0.00 C ATOM 233 C PHE A 15 11.486 6.399 -1.290 1.00 0.00 C ATOM 234 O PHE A 15 11.985 5.346 -1.640 1.00 0.00 O ATOM 235 CB PHE A 15 9.614 7.570 -2.470 1.00 0.00 C ATOM 236 CG PHE A 15 9.635 6.851 -3.811 1.00 0.00 C ATOM 237 CD1 PHE A 15 10.789 6.181 -4.239 1.00 0.00 C ATOM 238 CD2 PHE A 15 8.497 6.855 -4.628 1.00 0.00 C ATOM 239 CE1 PHE A 15 10.807 5.519 -5.467 1.00 0.00 C ATOM 240 CE2 PHE A 15 8.516 6.187 -5.860 1.00 0.00 C ATOM 241 CZ PHE A 15 9.674 5.516 -6.276 1.00 0.00 C ATOM 0 H PHE A 15 8.774 7.898 -0.114 1.00 0.00 H new ATOM 0 HA PHE A 15 9.493 5.626 -1.507 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.628 8.002 -2.297 1.00 0.00 H new ATOM 0 HB3 PHE A 15 10.326 8.395 -2.482 1.00 0.00 H new ATOM 0 HD1 PHE A 15 11.670 6.177 -3.614 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.605 7.373 -4.308 1.00 0.00 H new ATOM 0 HE1 PHE A 15 11.702 5.008 -5.791 1.00 0.00 H new ATOM 0 HE2 PHE A 15 7.638 6.189 -6.489 1.00 0.00 H new ATOM 0 HZ PHE A 15 9.687 4.997 -7.223 1.00 0.00 H new ATOM 251 N GLU A 16 12.224 7.389 -0.882 1.00 0.00 N ATOM 252 CA GLU A 16 13.706 7.232 -0.839 1.00 0.00 C ATOM 253 C GLU A 16 14.058 6.248 0.263 1.00 0.00 C ATOM 254 O GLU A 16 14.974 5.459 0.130 1.00 0.00 O ATOM 255 CB GLU A 16 14.383 8.584 -0.580 1.00 0.00 C ATOM 256 CG GLU A 16 13.796 9.653 -1.512 1.00 0.00 C ATOM 257 CD GLU A 16 12.786 10.510 -0.745 1.00 0.00 C ATOM 258 OE1 GLU A 16 13.181 11.120 0.236 1.00 0.00 O ATOM 259 OE2 GLU A 16 11.636 10.542 -1.151 1.00 0.00 O ATOM 0 H GLU A 16 11.871 8.296 -0.577 1.00 0.00 H new ATOM 0 HA GLU A 16 14.062 6.857 -1.798 1.00 0.00 H new ATOM 0 HB2 GLU A 16 14.240 8.878 0.460 1.00 0.00 H new ATOM 0 HB3 GLU A 16 15.457 8.499 -0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.594 10.281 -1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.311 9.179 -2.365 1.00 0.00 H new ATOM 266 N GLU A 17 13.311 6.259 1.335 1.00 0.00 N ATOM 267 CA GLU A 17 13.568 5.287 2.435 1.00 0.00 C ATOM 268 C GLU A 17 13.405 3.861 1.880 1.00 0.00 C ATOM 269 O GLU A 17 13.926 2.910 2.427 1.00 0.00 O ATOM 270 CB GLU A 17 12.557 5.519 3.556 1.00 0.00 C ATOM 271 CG GLU A 17 12.931 4.668 4.768 1.00 0.00 C ATOM 272 CD GLU A 17 12.495 5.382 6.049 1.00 0.00 C ATOM 273 OE1 GLU A 17 11.299 5.493 6.263 1.00 0.00 O ATOM 274 OE2 GLU A 17 13.363 5.804 6.794 1.00 0.00 O ATOM 0 H GLU A 17 12.534 6.900 1.496 1.00 0.00 H new ATOM 0 HA GLU A 17 14.577 5.418 2.826 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.539 6.574 3.831 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.554 5.262 3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.451 3.692 4.702 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.007 4.493 4.785 1.00 0.00 H new ATOM 281 N LEU A 18 12.687 3.720 0.787 1.00 0.00 N ATOM 282 CA LEU A 18 12.478 2.385 0.171 1.00 0.00 C ATOM 283 C LEU A 18 13.731 1.967 -0.567 1.00 0.00 C ATOM 284 O LEU A 18 14.219 0.867 -0.401 1.00 0.00 O ATOM 285 CB LEU A 18 11.331 2.443 -0.847 1.00 0.00 C ATOM 286 CG LEU A 18 10.165 3.323 -0.386 1.00 0.00 C ATOM 287 CD1 LEU A 18 8.977 3.050 -1.296 1.00 0.00 C ATOM 288 CD2 LEU A 18 9.753 3.032 1.053 1.00 0.00 C ATOM 0 H LEU A 18 12.234 4.491 0.295 1.00 0.00 H new ATOM 0 HA LEU A 18 12.240 1.675 0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.713 2.823 -1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.966 1.433 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 18 10.485 4.364 -0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.133 3.666 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.244 3.290 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.702 1.997 -1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.923 3.681 1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.444 1.990 1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.597 3.216 1.717 1.00 0.00 H new ATOM 300 N LEU A 19 14.254 2.834 -1.387 1.00 0.00 N ATOM 301 CA LEU A 19 15.482 2.477 -2.134 1.00 0.00 C ATOM 302 C LEU A 19 16.714 2.672 -1.230 1.00 0.00 C ATOM 303 O LEU A 19 17.832 2.399 -1.622 1.00 0.00 O ATOM 304 CB LEU A 19 15.600 3.337 -3.405 1.00 0.00 C ATOM 305 CG LEU A 19 14.283 3.343 -4.233 1.00 0.00 C ATOM 306 CD1 LEU A 19 13.480 2.037 -4.074 1.00 0.00 C ATOM 307 CD2 LEU A 19 13.418 4.528 -3.800 1.00 0.00 C ATOM 0 H LEU A 19 13.885 3.767 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 19 15.429 1.430 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.858 4.359 -3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.414 2.959 -4.023 1.00 0.00 H new ATOM 0 HG LEU A 19 14.558 3.431 -5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.571 2.094 -4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 19 14.084 1.195 -4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.216 1.897 -3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.494 4.535 -4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.181 4.438 -2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.961 5.457 -3.973 1.00 0.00 H new ATOM 319 N LYS A 20 16.508 3.127 -0.014 1.00 0.00 N ATOM 320 CA LYS A 20 17.629 3.329 0.937 1.00 0.00 C ATOM 321 C LYS A 20 17.693 2.138 1.902 1.00 0.00 C ATOM 322 O LYS A 20 18.723 1.849 2.480 1.00 0.00 O ATOM 323 CB LYS A 20 17.357 4.599 1.742 1.00 0.00 C ATOM 324 CG LYS A 20 17.990 5.800 1.043 1.00 0.00 C ATOM 325 CD LYS A 20 18.086 6.973 2.022 1.00 0.00 C ATOM 326 CE LYS A 20 19.474 6.992 2.665 1.00 0.00 C ATOM 327 NZ LYS A 20 19.707 8.319 3.302 1.00 0.00 N ATOM 0 H LYS A 20 15.589 3.369 0.357 1.00 0.00 H new ATOM 0 HA LYS A 20 18.570 3.415 0.394 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.283 4.752 1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 20 17.763 4.497 2.748 1.00 0.00 H new ATOM 0 HG2 LYS A 20 18.982 5.538 0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 20 17.394 6.085 0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.903 7.912 1.499 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.319 6.882 2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.553 6.200 3.410 1.00 0.00 H new ATOM 0 HE3 LYS A 20 20.238 6.799 1.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.650 8.333 3.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 19.649 9.066 2.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 18.985 8.486 4.031 1.00 0.00 H new ATOM 341 N VAL A 21 16.587 1.459 2.086 1.00 0.00 N ATOM 342 CA VAL A 21 16.547 0.303 3.014 1.00 0.00 C ATOM 343 C VAL A 21 16.723 -0.994 2.230 1.00 0.00 C ATOM 344 O VAL A 21 17.328 -1.933 2.714 1.00 0.00 O ATOM 345 CB VAL A 21 15.211 0.299 3.757 1.00 0.00 C ATOM 346 CG1 VAL A 21 15.076 1.589 4.565 1.00 0.00 C ATOM 347 CG2 VAL A 21 14.049 0.197 2.762 1.00 0.00 C ATOM 0 H VAL A 21 15.702 1.665 1.623 1.00 0.00 H new ATOM 0 HA VAL A 21 17.358 0.384 3.738 1.00 0.00 H new ATOM 0 HB VAL A 21 15.180 -0.561 4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.124 1.588 5.096 1.00 0.00 H new ATOM 0 HG12 VAL A 21 15.892 1.655 5.284 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.116 2.446 3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.104 0.195 3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.076 1.049 2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.140 -0.726 2.190 1.00 0.00 H new ATOM 357 N LEU A 22 16.240 -1.048 1.007 1.00 0.00 N ATOM 358 CA LEU A 22 16.436 -2.284 0.190 1.00 0.00 C ATOM 359 C LEU A 22 17.945 -2.524 0.048 1.00 0.00 C ATOM 360 O LEU A 22 18.393 -3.628 -0.195 1.00 0.00 O ATOM 361 CB LEU A 22 15.770 -2.136 -1.201 1.00 0.00 C ATOM 362 CG LEU A 22 16.262 -0.914 -1.988 1.00 0.00 C ATOM 363 CD1 LEU A 22 17.712 -1.091 -2.466 1.00 0.00 C ATOM 364 CD2 LEU A 22 15.360 -0.775 -3.215 1.00 0.00 C ATOM 0 H LEU A 22 15.725 -0.297 0.547 1.00 0.00 H new ATOM 0 HA LEU A 22 15.967 -3.135 0.683 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.963 -3.036 -1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.690 -2.065 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 22 16.227 -0.035 -1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 22 18.024 -0.205 -3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 22 18.365 -1.229 -1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.777 -1.965 -3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 22 15.677 0.086 -3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 22 15.431 -1.677 -3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.328 -0.634 -2.894 1.00 0.00 H new ATOM 643 N VAL A 41 -5.786 7.835 -4.779 1.00 0.00 N ATOM 644 CA VAL A 41 -6.426 6.490 -4.687 1.00 0.00 C ATOM 645 C VAL A 41 -7.937 6.657 -4.502 1.00 0.00 C ATOM 646 O VAL A 41 -8.430 7.755 -4.321 1.00 0.00 O ATOM 647 CB VAL A 41 -5.803 5.706 -3.501 1.00 0.00 C ATOM 648 CG1 VAL A 41 -6.474 6.064 -2.167 1.00 0.00 C ATOM 649 CG2 VAL A 41 -5.943 4.197 -3.747 1.00 0.00 C ATOM 0 HA VAL A 41 -6.252 5.927 -5.604 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.751 5.983 -3.438 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.010 5.494 -1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.354 7.130 -1.974 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.536 5.822 -2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.504 3.650 -2.912 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.998 3.939 -3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.426 3.929 -4.668 1.00 0.00 H new ATOM 659 N GLU A 42 -8.660 5.572 -4.512 1.00 0.00 N ATOM 660 CA GLU A 42 -10.125 5.657 -4.298 1.00 0.00 C ATOM 661 C GLU A 42 -10.628 4.340 -3.716 1.00 0.00 C ATOM 662 O GLU A 42 -10.565 3.304 -4.351 1.00 0.00 O ATOM 663 CB GLU A 42 -10.835 5.966 -5.614 1.00 0.00 C ATOM 664 CG GLU A 42 -10.483 4.902 -6.651 1.00 0.00 C ATOM 665 CD GLU A 42 -10.806 5.427 -8.051 1.00 0.00 C ATOM 666 OE1 GLU A 42 -9.990 6.155 -8.592 1.00 0.00 O ATOM 667 OE2 GLU A 42 -11.864 5.092 -8.558 1.00 0.00 O ATOM 0 H GLU A 42 -8.296 4.631 -4.660 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.342 6.463 -3.597 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.914 5.993 -5.459 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.540 6.951 -5.975 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.425 4.647 -6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.044 3.988 -6.455 1.00 0.00 H new ATOM 674 N ILE A 43 -11.114 4.376 -2.502 1.00 0.00 N ATOM 675 CA ILE A 43 -11.609 3.132 -1.855 1.00 0.00 C ATOM 676 C ILE A 43 -13.118 3.008 -2.039 1.00 0.00 C ATOM 677 O ILE A 43 -13.840 3.983 -2.115 1.00 0.00 O ATOM 678 CB ILE A 43 -11.272 3.161 -0.360 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.752 3.278 -0.178 1.00 0.00 C ATOM 680 CG2 ILE A 43 -11.778 1.882 0.325 1.00 0.00 C ATOM 681 CD1 ILE A 43 -9.050 2.058 -0.780 1.00 0.00 C ATOM 0 H ILE A 43 -11.188 5.218 -1.932 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.125 2.273 -2.320 1.00 0.00 H new ATOM 0 HB ILE A 43 -11.761 4.021 0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.390 4.188 -0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.511 3.359 0.882 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.532 1.916 1.386 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -12.859 1.808 0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -11.303 1.013 -0.130 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.973 2.154 -0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.400 1.154 -0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.277 1.996 -1.844 1.00 0.00 H new ATOM 693 N LYS A 44 -13.580 1.796 -2.098 1.00 0.00 N ATOM 694 CA LYS A 44 -15.029 1.524 -2.266 1.00 0.00 C ATOM 695 C LYS A 44 -15.321 0.243 -1.492 1.00 0.00 C ATOM 696 O LYS A 44 -14.751 -0.789 -1.776 1.00 0.00 O ATOM 697 CB LYS A 44 -15.321 1.340 -3.761 1.00 0.00 C ATOM 698 CG LYS A 44 -14.786 2.552 -4.533 1.00 0.00 C ATOM 699 CD LYS A 44 -15.499 2.689 -5.879 1.00 0.00 C ATOM 700 CE LYS A 44 -15.333 1.418 -6.723 1.00 0.00 C ATOM 701 NZ LYS A 44 -14.695 1.769 -8.023 1.00 0.00 N ATOM 0 H LYS A 44 -12.998 0.960 -2.035 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.652 2.338 -1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.852 0.426 -4.125 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.394 1.235 -3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.931 3.458 -3.944 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.713 2.444 -4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.559 2.885 -5.715 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.097 3.545 -6.422 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.721 0.691 -6.189 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.304 0.953 -6.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.045 1.130 -8.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.931 2.751 -8.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.663 1.671 -7.941 1.00 0.00 H new ATOM 715 N GLN A 45 -16.143 0.302 -0.475 1.00 0.00 N ATOM 716 CA GLN A 45 -16.370 -0.930 0.336 1.00 0.00 C ATOM 717 C GLN A 45 -17.813 -1.068 0.820 1.00 0.00 C ATOM 718 O GLN A 45 -18.502 -0.103 1.085 1.00 0.00 O ATOM 719 CB GLN A 45 -15.442 -0.871 1.550 1.00 0.00 C ATOM 720 CG GLN A 45 -15.701 0.414 2.339 1.00 0.00 C ATOM 721 CD GLN A 45 -16.825 0.178 3.353 1.00 0.00 C ATOM 722 OE1 GLN A 45 -17.853 0.823 3.299 1.00 0.00 O ATOM 723 NE2 GLN A 45 -16.675 -0.728 4.280 1.00 0.00 N ATOM 0 H GLN A 45 -16.656 1.131 -0.176 1.00 0.00 H new ATOM 0 HA GLN A 45 -16.163 -1.793 -0.297 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.607 -1.739 2.188 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.402 -0.906 1.226 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -14.792 0.725 2.854 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -15.975 1.221 1.659 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -15.813 -1.271 4.328 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -17.420 -0.893 4.957 1.00 0.00 H new ATOM 732 N GLU A 46 -18.244 -2.292 0.961 1.00 0.00 N ATOM 733 CA GLU A 46 -19.607 -2.585 1.456 1.00 0.00 C ATOM 734 C GLU A 46 -19.487 -3.645 2.559 1.00 0.00 C ATOM 735 O GLU A 46 -19.613 -4.830 2.309 1.00 0.00 O ATOM 736 CB GLU A 46 -20.448 -3.134 0.306 1.00 0.00 C ATOM 737 CG GLU A 46 -21.933 -2.990 0.641 1.00 0.00 C ATOM 738 CD GLU A 46 -22.515 -1.782 -0.098 1.00 0.00 C ATOM 739 OE1 GLU A 46 -21.833 -0.774 -0.174 1.00 0.00 O ATOM 740 OE2 GLU A 46 -23.633 -1.888 -0.575 1.00 0.00 O ATOM 0 H GLU A 46 -17.688 -3.119 0.746 1.00 0.00 H new ATOM 0 HA GLU A 46 -20.081 -1.684 1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -20.219 -2.596 -0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -20.204 -4.182 0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -22.469 -3.895 0.356 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -22.063 -2.868 1.716 1.00 0.00 H new ATOM 747 N GLY A 47 -19.216 -3.228 3.772 1.00 0.00 N ATOM 748 CA GLY A 47 -19.061 -4.209 4.891 1.00 0.00 C ATOM 749 C GLY A 47 -17.653 -4.812 4.838 1.00 0.00 C ATOM 750 O GLY A 47 -16.674 -4.102 4.713 1.00 0.00 O ATOM 0 H GLY A 47 -19.095 -2.250 4.035 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.223 -3.715 5.849 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.810 -4.996 4.808 1.00 0.00 H new ATOM 754 N ASP A 48 -17.546 -6.117 4.920 1.00 0.00 N ATOM 755 CA ASP A 48 -16.206 -6.770 4.860 1.00 0.00 C ATOM 756 C ASP A 48 -15.693 -6.810 3.416 1.00 0.00 C ATOM 757 O ASP A 48 -14.588 -7.251 3.168 1.00 0.00 O ATOM 758 CB ASP A 48 -16.311 -8.188 5.402 1.00 0.00 C ATOM 759 CG ASP A 48 -17.387 -8.959 4.633 1.00 0.00 C ATOM 760 OD1 ASP A 48 -17.227 -9.124 3.435 1.00 0.00 O ATOM 761 OD2 ASP A 48 -18.352 -9.370 5.255 1.00 0.00 O ATOM 0 H ASP A 48 -18.333 -6.757 5.026 1.00 0.00 H new ATOM 0 HA ASP A 48 -15.505 -6.194 5.464 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -15.351 -8.695 5.308 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -16.557 -8.164 6.464 1.00 0.00 H new ATOM 766 N THR A 49 -16.464 -6.337 2.465 1.00 0.00 N ATOM 767 CA THR A 49 -15.989 -6.333 1.057 1.00 0.00 C ATOM 768 C THR A 49 -15.287 -5.002 0.801 1.00 0.00 C ATOM 769 O THR A 49 -15.755 -3.964 1.222 1.00 0.00 O ATOM 770 CB THR A 49 -17.187 -6.474 0.116 1.00 0.00 C ATOM 771 OG1 THR A 49 -17.903 -7.658 0.437 1.00 0.00 O ATOM 772 CG2 THR A 49 -16.701 -6.546 -1.331 1.00 0.00 C ATOM 0 H THR A 49 -17.399 -5.956 2.609 1.00 0.00 H new ATOM 0 HA THR A 49 -15.303 -7.162 0.881 1.00 0.00 H new ATOM 0 HB THR A 49 -17.841 -5.610 0.232 1.00 0.00 H new ATOM 0 HG1 THR A 49 -18.814 -7.596 0.080 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.557 -6.646 -1.998 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.154 -5.636 -1.577 1.00 0.00 H new ATOM 0 HG23 THR A 49 -16.044 -7.407 -1.452 1.00 0.00 H new ATOM 780 N PHE A 50 -14.164 -5.018 0.134 1.00 0.00 N ATOM 781 CA PHE A 50 -13.448 -3.736 -0.125 1.00 0.00 C ATOM 782 C PHE A 50 -12.909 -3.685 -1.553 1.00 0.00 C ATOM 783 O PHE A 50 -12.717 -4.688 -2.213 1.00 0.00 O ATOM 784 CB PHE A 50 -12.284 -3.582 0.856 1.00 0.00 C ATOM 785 CG PHE A 50 -12.828 -3.604 2.256 1.00 0.00 C ATOM 786 CD1 PHE A 50 -13.047 -4.824 2.886 1.00 0.00 C ATOM 787 CD2 PHE A 50 -13.143 -2.409 2.910 1.00 0.00 C ATOM 788 CE1 PHE A 50 -13.587 -4.860 4.169 1.00 0.00 C ATOM 789 CE2 PHE A 50 -13.676 -2.442 4.204 1.00 0.00 C ATOM 790 CZ PHE A 50 -13.902 -3.674 4.830 1.00 0.00 C ATOM 0 H PHE A 50 -13.715 -5.854 -0.239 1.00 0.00 H new ATOM 0 HA PHE A 50 -14.159 -2.921 0.010 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.564 -4.389 0.718 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -11.755 -2.647 0.671 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.798 -5.745 2.380 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.975 -1.462 2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -13.762 -5.809 4.653 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.912 -1.521 4.717 1.00 0.00 H new ATOM 0 HZ PHE A 50 -14.320 -3.705 5.825 1.00 0.00 H new ATOM 800 N TYR A 51 -12.643 -2.497 -2.004 1.00 0.00 N ATOM 801 CA TYR A 51 -12.085 -2.275 -3.360 1.00 0.00 C ATOM 802 C TYR A 51 -11.024 -1.192 -3.174 1.00 0.00 C ATOM 803 O TYR A 51 -11.175 -0.319 -2.337 1.00 0.00 O ATOM 804 CB TYR A 51 -13.234 -1.854 -4.309 1.00 0.00 C ATOM 805 CG TYR A 51 -12.781 -0.942 -5.437 1.00 0.00 C ATOM 806 CD1 TYR A 51 -12.499 0.402 -5.178 1.00 0.00 C ATOM 807 CD2 TYR A 51 -12.698 -1.431 -6.744 1.00 0.00 C ATOM 808 CE1 TYR A 51 -12.140 1.256 -6.215 1.00 0.00 C ATOM 809 CE2 TYR A 51 -12.325 -0.572 -7.787 1.00 0.00 C ATOM 810 CZ TYR A 51 -12.050 0.773 -7.522 1.00 0.00 C ATOM 811 OH TYR A 51 -11.705 1.623 -8.552 1.00 0.00 O ATOM 0 H TYR A 51 -12.795 -1.642 -1.470 1.00 0.00 H new ATOM 0 HA TYR A 51 -11.634 -3.159 -3.810 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -13.689 -2.748 -4.735 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -14.006 -1.348 -3.730 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -12.560 0.779 -4.168 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -12.921 -2.468 -6.950 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -11.930 2.295 -6.009 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -12.250 -0.949 -8.796 1.00 0.00 H new ATOM 0 HH TYR A 51 -12.134 1.324 -9.381 1.00 0.00 H new ATOM 821 N ILE A 52 -9.944 -1.258 -3.895 1.00 0.00 N ATOM 822 CA ILE A 52 -8.867 -0.245 -3.694 1.00 0.00 C ATOM 823 C ILE A 52 -8.191 0.061 -5.028 1.00 0.00 C ATOM 824 O ILE A 52 -7.437 -0.741 -5.543 1.00 0.00 O ATOM 825 CB ILE A 52 -7.827 -0.797 -2.696 1.00 0.00 C ATOM 826 CG1 ILE A 52 -8.548 -1.528 -1.543 1.00 0.00 C ATOM 827 CG2 ILE A 52 -6.984 0.355 -2.132 1.00 0.00 C ATOM 828 CD1 ILE A 52 -7.534 -2.068 -0.530 1.00 0.00 C ATOM 0 H ILE A 52 -9.757 -1.961 -4.610 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.300 0.673 -3.297 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.173 -1.499 -3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -9.237 -0.845 -1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.144 -2.349 -1.942 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.252 -0.041 -1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.467 0.861 -2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.634 1.064 -1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.061 -2.580 0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.862 -2.768 -1.026 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.956 -1.241 -0.117 1.00 0.00 H new ATOM 840 N LYS A 53 -8.456 1.211 -5.595 1.00 0.00 N ATOM 841 CA LYS A 53 -7.825 1.552 -6.903 1.00 0.00 C ATOM 842 C LYS A 53 -6.815 2.685 -6.734 1.00 0.00 C ATOM 843 O LYS A 53 -7.161 3.852 -6.783 1.00 0.00 O ATOM 844 CB LYS A 53 -8.902 1.963 -7.907 1.00 0.00 C ATOM 845 CG LYS A 53 -8.271 2.185 -9.288 1.00 0.00 C ATOM 846 CD LYS A 53 -8.880 3.427 -9.943 1.00 0.00 C ATOM 847 CE LYS A 53 -10.273 3.093 -10.483 1.00 0.00 C ATOM 848 NZ LYS A 53 -10.500 3.828 -11.759 1.00 0.00 N ATOM 0 H LYS A 53 -9.078 1.923 -5.211 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.300 0.672 -7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.669 1.191 -7.968 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.395 2.876 -7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.192 2.306 -9.190 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.437 1.312 -9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.945 4.238 -9.218 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.239 3.775 -10.753 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.363 2.019 -10.648 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.034 3.368 -9.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.446 3.602 -12.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.431 4.851 -11.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.781 3.545 -12.455 1.00 0.00 H new ATOM 983 N GLU A 62 -6.275 -2.366 -9.375 1.00 0.00 N ATOM 984 CA GLU A 62 -7.024 -2.166 -8.100 1.00 0.00 C ATOM 985 C GLU A 62 -7.429 -3.530 -7.532 1.00 0.00 C ATOM 986 O GLU A 62 -7.730 -4.446 -8.276 1.00 0.00 O ATOM 987 CB GLU A 62 -8.276 -1.312 -8.367 1.00 0.00 C ATOM 988 CG GLU A 62 -9.226 -2.021 -9.342 1.00 0.00 C ATOM 989 CD GLU A 62 -8.696 -1.884 -10.771 1.00 0.00 C ATOM 990 OE1 GLU A 62 -8.584 -0.762 -11.235 1.00 0.00 O ATOM 991 OE2 GLU A 62 -8.411 -2.904 -11.376 1.00 0.00 O ATOM 0 HA GLU A 62 -6.391 -1.650 -7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.793 -1.115 -7.428 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.981 -0.346 -8.778 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.315 -3.074 -9.076 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.224 -1.589 -9.271 1.00 0.00 H new ATOM 998 N ILE A 63 -7.449 -3.675 -6.228 1.00 0.00 N ATOM 999 CA ILE A 63 -7.850 -4.986 -5.640 1.00 0.00 C ATOM 1000 C ILE A 63 -9.319 -4.949 -5.235 1.00 0.00 C ATOM 1001 O ILE A 63 -9.685 -4.415 -4.207 1.00 0.00 O ATOM 1002 CB ILE A 63 -6.980 -5.370 -4.427 1.00 0.00 C ATOM 1003 CG1 ILE A 63 -6.672 -4.148 -3.548 1.00 0.00 C ATOM 1004 CG2 ILE A 63 -5.677 -5.985 -4.928 1.00 0.00 C ATOM 1005 CD1 ILE A 63 -5.851 -4.581 -2.328 1.00 0.00 C ATOM 0 H ILE A 63 -7.207 -2.949 -5.554 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.698 -5.747 -6.406 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.529 -6.088 -3.818 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.121 -3.404 -4.123 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.601 -3.677 -3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.054 -6.260 -4.077 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.898 -6.874 -5.519 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.147 -5.261 -5.547 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.635 -3.711 -1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.418 -5.309 -1.748 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.916 -5.031 -2.660 1.00 0.00 H new ATOM 1017 N ASN A 64 -10.154 -5.556 -6.035 1.00 0.00 N ATOM 1018 CA ASN A 64 -11.608 -5.627 -5.695 1.00 0.00 C ATOM 1019 C ASN A 64 -11.801 -6.956 -4.974 1.00 0.00 C ATOM 1020 O ASN A 64 -12.232 -7.944 -5.537 1.00 0.00 O ATOM 1021 CB ASN A 64 -12.516 -5.552 -6.945 1.00 0.00 C ATOM 1022 CG ASN A 64 -11.864 -6.182 -8.193 1.00 0.00 C ATOM 1023 OD1 ASN A 64 -11.112 -7.246 -8.088 1.00 0.00 O flip ATOM 1024 ND2 ASN A 64 -12.047 -5.688 -9.288 1.00 0.00 N flip ATOM 0 H ASN A 64 -9.893 -6.007 -6.912 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.892 -4.775 -5.077 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -13.457 -6.060 -6.736 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.756 -4.509 -7.153 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.632 -4.858 -9.382 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.616 -6.104 -10.114 1.00 0.00 H new ATOM 1031 N PHE A 65 -11.405 -6.987 -3.739 1.00 0.00 N ATOM 1032 CA PHE A 65 -11.448 -8.250 -2.955 1.00 0.00 C ATOM 1033 C PHE A 65 -12.422 -8.157 -1.772 1.00 0.00 C ATOM 1034 O PHE A 65 -13.249 -7.278 -1.688 1.00 0.00 O ATOM 1035 CB PHE A 65 -10.013 -8.491 -2.428 1.00 0.00 C ATOM 1036 CG PHE A 65 -9.661 -7.440 -1.373 1.00 0.00 C ATOM 1037 CD1 PHE A 65 -9.238 -6.166 -1.765 1.00 0.00 C ATOM 1038 CD2 PHE A 65 -9.813 -7.728 -0.012 1.00 0.00 C ATOM 1039 CE1 PHE A 65 -8.963 -5.186 -0.811 1.00 0.00 C ATOM 1040 CE2 PHE A 65 -9.547 -6.744 0.949 1.00 0.00 C ATOM 1041 CZ PHE A 65 -9.122 -5.470 0.549 1.00 0.00 C ATOM 0 H PHE A 65 -11.047 -6.179 -3.229 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.796 -9.067 -3.587 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.937 -9.490 -1.998 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -9.301 -8.444 -3.252 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.123 -5.939 -2.815 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.136 -8.711 0.298 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.627 -4.208 -1.123 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.670 -6.967 1.999 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.918 -4.710 1.289 1.00 0.00 H new ATOM 1051 N LYS A 66 -12.266 -9.064 -0.847 1.00 0.00 N ATOM 1052 CA LYS A 66 -13.076 -9.095 0.389 1.00 0.00 C ATOM 1053 C LYS A 66 -12.085 -9.450 1.490 1.00 0.00 C ATOM 1054 O LYS A 66 -11.370 -10.425 1.376 1.00 0.00 O ATOM 1055 CB LYS A 66 -14.151 -10.175 0.282 1.00 0.00 C ATOM 1056 CG LYS A 66 -15.501 -9.536 -0.048 1.00 0.00 C ATOM 1057 CD LYS A 66 -16.482 -10.622 -0.500 1.00 0.00 C ATOM 1058 CE LYS A 66 -17.405 -10.061 -1.583 1.00 0.00 C ATOM 1059 NZ LYS A 66 -16.661 -9.973 -2.872 1.00 0.00 N ATOM 0 H LYS A 66 -11.578 -9.814 -0.908 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.585 -8.150 0.578 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.881 -10.894 -0.491 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.219 -10.726 1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.894 -9.017 0.827 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.380 -8.790 -0.833 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.935 -11.483 -0.884 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.070 -10.971 0.349 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.279 -10.701 -1.698 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -17.768 -9.075 -1.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -17.336 -9.873 -3.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -16.029 -9.147 -2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.098 -10.837 -3.008 1.00 0.00 H new ATOM 1073 N VAL A 67 -11.980 -8.646 2.516 1.00 0.00 N ATOM 1074 CA VAL A 67 -10.972 -8.903 3.599 1.00 0.00 C ATOM 1075 C VAL A 67 -10.913 -10.388 4.013 1.00 0.00 C ATOM 1076 O VAL A 67 -9.903 -10.839 4.523 1.00 0.00 O ATOM 1077 CB VAL A 67 -11.291 -8.008 4.800 1.00 0.00 C ATOM 1078 CG1 VAL A 67 -10.426 -8.408 6.001 1.00 0.00 C ATOM 1079 CG2 VAL A 67 -10.963 -6.572 4.421 1.00 0.00 C ATOM 0 H VAL A 67 -12.553 -7.814 2.655 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.983 -8.660 3.210 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.343 -8.113 5.066 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.661 -7.765 6.849 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.628 -9.446 6.265 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.373 -8.298 5.743 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.182 -5.914 5.262 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.906 -6.495 4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.565 -6.276 3.562 1.00 0.00 H new ATOM 1089 N GLY A 68 -11.953 -11.147 3.796 1.00 0.00 N ATOM 1090 CA GLY A 68 -11.907 -12.588 4.176 1.00 0.00 C ATOM 1091 C GLY A 68 -11.277 -13.419 3.049 1.00 0.00 C ATOM 1092 O GLY A 68 -11.731 -14.512 2.765 1.00 0.00 O ATOM 0 H GLY A 68 -12.828 -10.834 3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.330 -12.711 5.093 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.915 -12.949 4.383 1.00 0.00 H new ATOM 1096 N GLU A 69 -10.235 -12.927 2.405 1.00 0.00 N ATOM 1097 CA GLU A 69 -9.604 -13.733 1.307 1.00 0.00 C ATOM 1098 C GLU A 69 -8.244 -13.155 0.868 1.00 0.00 C ATOM 1099 O GLU A 69 -7.816 -12.093 1.295 1.00 0.00 O ATOM 1100 CB GLU A 69 -10.550 -13.791 0.100 1.00 0.00 C ATOM 1101 CG GLU A 69 -10.807 -12.380 -0.441 1.00 0.00 C ATOM 1102 CD GLU A 69 -10.765 -12.397 -1.971 1.00 0.00 C ATOM 1103 OE1 GLU A 69 -9.703 -12.657 -2.512 1.00 0.00 O ATOM 1104 OE2 GLU A 69 -11.796 -12.151 -2.575 1.00 0.00 O ATOM 0 H GLU A 69 -9.804 -12.021 2.589 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.427 -14.735 1.697 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.116 -14.414 -0.682 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.493 -14.254 0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.777 -12.020 -0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.057 -11.690 -0.055 1.00 0.00 H new ATOM 1111 N GLU A 70 -7.567 -13.889 0.016 1.00 0.00 N ATOM 1112 CA GLU A 70 -6.220 -13.469 -0.494 1.00 0.00 C ATOM 1113 C GLU A 70 -6.279 -13.111 -1.975 1.00 0.00 C ATOM 1114 O GLU A 70 -7.253 -13.363 -2.656 1.00 0.00 O ATOM 1115 CB GLU A 70 -5.222 -14.635 -0.378 1.00 0.00 C ATOM 1116 CG GLU A 70 -5.873 -15.946 -0.831 1.00 0.00 C ATOM 1117 CD GLU A 70 -6.410 -16.700 0.387 1.00 0.00 C ATOM 1118 OE1 GLU A 70 -5.604 -17.136 1.192 1.00 0.00 O ATOM 1119 OE2 GLU A 70 -7.619 -16.828 0.494 1.00 0.00 O ATOM 0 H GLU A 70 -7.898 -14.780 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.912 -12.610 0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.342 -14.430 -0.987 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.881 -14.729 0.653 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.684 -15.739 -1.530 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.145 -16.561 -1.360 1.00 0.00 H new ATOM 1126 N PHE A 71 -5.191 -12.585 -2.484 1.00 0.00 N ATOM 1127 CA PHE A 71 -5.103 -12.270 -3.935 1.00 0.00 C ATOM 1128 C PHE A 71 -3.898 -13.028 -4.468 1.00 0.00 C ATOM 1129 O PHE A 71 -3.271 -13.787 -3.755 1.00 0.00 O ATOM 1130 CB PHE A 71 -4.874 -10.768 -4.223 1.00 0.00 C ATOM 1131 CG PHE A 71 -5.477 -9.856 -3.177 1.00 0.00 C ATOM 1132 CD1 PHE A 71 -6.706 -10.149 -2.577 1.00 0.00 C ATOM 1133 CD2 PHE A 71 -4.797 -8.680 -2.833 1.00 0.00 C ATOM 1134 CE1 PHE A 71 -7.244 -9.269 -1.631 1.00 0.00 C ATOM 1135 CE2 PHE A 71 -5.343 -7.801 -1.897 1.00 0.00 C ATOM 1136 CZ PHE A 71 -6.560 -8.095 -1.297 1.00 0.00 C ATOM 0 H PHE A 71 -4.354 -12.360 -1.946 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.046 -12.549 -4.404 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -3.803 -10.577 -4.286 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.300 -10.523 -5.196 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.238 -11.051 -2.843 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.847 -8.453 -3.294 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -8.188 -9.496 -1.158 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.819 -6.892 -1.639 1.00 0.00 H new ATOM 0 HZ PHE A 71 -6.980 -7.415 -0.570 1.00 0.00 H new ATOM 1146 N GLU A 72 -3.554 -12.804 -5.697 1.00 0.00 N ATOM 1147 CA GLU A 72 -2.363 -13.480 -6.274 1.00 0.00 C ATOM 1148 C GLU A 72 -1.520 -12.448 -7.001 1.00 0.00 C ATOM 1149 O GLU A 72 -2.006 -11.407 -7.402 1.00 0.00 O ATOM 1150 CB GLU A 72 -2.779 -14.564 -7.257 1.00 0.00 C ATOM 1151 CG GLU A 72 -3.779 -15.499 -6.586 1.00 0.00 C ATOM 1152 CD GLU A 72 -4.532 -16.296 -7.652 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -3.882 -17.006 -8.402 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -5.746 -16.183 -7.701 1.00 0.00 O ATOM 0 H GLU A 72 -4.048 -12.178 -6.334 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.794 -13.942 -5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.224 -14.114 -8.145 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.905 -15.125 -7.588 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.260 -16.178 -5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.482 -14.924 -5.983 1.00 0.00 H new ATOM 1161 N GLU A 73 -0.265 -12.731 -7.170 1.00 0.00 N ATOM 1162 CA GLU A 73 0.627 -11.765 -7.874 1.00 0.00 C ATOM 1163 C GLU A 73 1.974 -12.415 -8.179 1.00 0.00 C ATOM 1164 O GLU A 73 2.178 -13.589 -7.952 1.00 0.00 O ATOM 1165 CB GLU A 73 0.838 -10.531 -6.984 1.00 0.00 C ATOM 1166 CG GLU A 73 0.055 -9.341 -7.549 1.00 0.00 C ATOM 1167 CD GLU A 73 0.983 -8.477 -8.408 1.00 0.00 C ATOM 1168 OE1 GLU A 73 1.930 -7.936 -7.861 1.00 0.00 O ATOM 1169 OE2 GLU A 73 0.730 -8.372 -9.596 1.00 0.00 O ATOM 0 H GLU A 73 0.187 -13.589 -6.853 1.00 0.00 H new ATOM 0 HA GLU A 73 0.162 -11.467 -8.814 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.509 -10.745 -5.967 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.899 -10.287 -6.931 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.785 -9.696 -8.147 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.361 -8.747 -6.735 1.00 0.00 H new ATOM 1280 N CYS A 81 4.253 -14.644 -5.889 1.00 0.00 N ATOM 1281 CA CYS A 81 3.862 -14.097 -4.556 1.00 0.00 C ATOM 1282 C CYS A 81 2.378 -13.738 -4.537 1.00 0.00 C ATOM 1283 O CYS A 81 1.831 -13.230 -5.496 1.00 0.00 O ATOM 1284 CB CYS A 81 4.688 -12.839 -4.259 1.00 0.00 C ATOM 1285 SG CYS A 81 4.483 -11.635 -5.595 1.00 0.00 S ATOM 0 HA CYS A 81 4.051 -14.857 -3.798 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.372 -12.401 -3.312 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.741 -13.102 -4.153 1.00 0.00 H new ATOM 0 HG CYS A 81 4.243 -12.260 -6.709 1.00 0.00 H new ATOM 1291 N LYS A 82 1.741 -13.989 -3.431 1.00 0.00 N ATOM 1292 CA LYS A 82 0.298 -13.667 -3.281 1.00 0.00 C ATOM 1293 C LYS A 82 0.137 -12.683 -2.127 1.00 0.00 C ATOM 1294 O LYS A 82 1.106 -12.182 -1.586 1.00 0.00 O ATOM 1295 CB LYS A 82 -0.473 -14.945 -2.966 1.00 0.00 C ATOM 1296 CG LYS A 82 0.124 -15.628 -1.721 1.00 0.00 C ATOM 1297 CD LYS A 82 -0.568 -16.980 -1.457 1.00 0.00 C ATOM 1298 CE LYS A 82 -2.089 -16.854 -1.610 1.00 0.00 C ATOM 1299 NZ LYS A 82 -2.770 -17.786 -0.667 1.00 0.00 N ATOM 0 H LYS A 82 2.169 -14.413 -2.608 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.087 -13.230 -4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.524 -14.712 -2.794 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.432 -15.624 -3.818 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.194 -15.783 -1.863 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.008 -14.979 -0.853 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.189 -17.729 -2.152 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.327 -17.327 -0.452 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.400 -15.829 -1.410 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.381 -17.082 -2.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.662 -18.115 -1.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.154 -18.602 -0.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.970 -17.292 0.226 1.00 0.00 H new ATOM 1313 N SER A 83 -1.076 -12.406 -1.753 1.00 0.00 N ATOM 1314 CA SER A 83 -1.319 -11.452 -0.632 1.00 0.00 C ATOM 1315 C SER A 83 -2.525 -11.889 0.185 1.00 0.00 C ATOM 1316 O SER A 83 -3.156 -12.877 -0.110 1.00 0.00 O ATOM 1317 CB SER A 83 -1.592 -10.068 -1.211 1.00 0.00 C ATOM 1318 OG SER A 83 -2.628 -10.174 -2.181 1.00 0.00 O ATOM 0 H SER A 83 -1.917 -12.799 -2.175 1.00 0.00 H new ATOM 0 HA SER A 83 -0.440 -11.431 0.013 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.885 -9.379 -0.419 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.688 -9.664 -1.667 1.00 0.00 H new ATOM 0 HG SER A 83 -3.373 -9.590 -1.929 1.00 0.00 H new ATOM 1324 N LEU A 84 -2.855 -11.140 1.204 1.00 0.00 N ATOM 1325 CA LEU A 84 -4.045 -11.497 2.037 1.00 0.00 C ATOM 1326 C LEU A 84 -4.380 -10.354 2.980 1.00 0.00 C ATOM 1327 O LEU A 84 -3.569 -9.954 3.788 1.00 0.00 O ATOM 1328 CB LEU A 84 -3.769 -12.766 2.840 1.00 0.00 C ATOM 1329 CG LEU A 84 -5.031 -13.627 2.854 1.00 0.00 C ATOM 1330 CD1 LEU A 84 -4.642 -15.088 3.046 1.00 0.00 C ATOM 1331 CD2 LEU A 84 -5.950 -13.184 3.989 1.00 0.00 C ATOM 0 H LEU A 84 -2.356 -10.300 1.496 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.893 -11.676 1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.940 -13.319 2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.475 -12.511 3.858 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.558 -13.512 1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.540 -15.705 3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.995 -15.403 2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.112 -15.202 3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.848 -13.802 3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.431 -13.293 4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.229 -12.140 3.845 1.00 0.00 H new ATOM 1343 N VAL A 85 -5.574 -9.826 2.874 1.00 0.00 N ATOM 1344 CA VAL A 85 -5.971 -8.686 3.749 1.00 0.00 C ATOM 1345 C VAL A 85 -6.715 -9.189 4.997 1.00 0.00 C ATOM 1346 O VAL A 85 -7.481 -10.132 4.951 1.00 0.00 O ATOM 1347 CB VAL A 85 -6.861 -7.725 2.934 1.00 0.00 C ATOM 1348 CG1 VAL A 85 -7.543 -6.688 3.845 1.00 0.00 C ATOM 1349 CG2 VAL A 85 -5.995 -6.992 1.908 1.00 0.00 C ATOM 0 H VAL A 85 -6.290 -10.137 2.218 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.079 -8.160 4.090 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.635 -8.311 2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.163 -6.025 3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.166 -7.201 4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.783 -6.102 4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.617 -6.310 1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.220 -6.425 2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.530 -7.717 1.240 1.00 0.00 H new ATOM 1359 N LYS A 86 -6.497 -8.525 6.102 1.00 0.00 N ATOM 1360 CA LYS A 86 -7.176 -8.890 7.373 1.00 0.00 C ATOM 1361 C LYS A 86 -7.419 -7.612 8.178 1.00 0.00 C ATOM 1362 O LYS A 86 -7.412 -6.524 7.638 1.00 0.00 O ATOM 1363 CB LYS A 86 -6.292 -9.857 8.166 1.00 0.00 C ATOM 1364 CG LYS A 86 -7.145 -10.972 8.786 1.00 0.00 C ATOM 1365 CD LYS A 86 -7.875 -11.762 7.687 1.00 0.00 C ATOM 1366 CE LYS A 86 -9.372 -11.428 7.712 1.00 0.00 C ATOM 1367 NZ LYS A 86 -10.115 -12.526 8.393 1.00 0.00 N ATOM 0 H LYS A 86 -5.863 -7.729 6.174 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.128 -9.379 7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.536 -10.290 7.511 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.762 -9.316 8.950 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.512 -11.643 9.366 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.870 -10.542 9.477 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.455 -11.518 6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.729 -12.832 7.838 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.536 -10.485 8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.744 -11.299 6.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.130 -12.300 8.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.967 -13.417 7.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.767 -12.628 9.368 1.00 0.00 H new ATOM 1381 N TRP A 87 -7.661 -7.740 9.452 1.00 0.00 N ATOM 1382 CA TRP A 87 -7.935 -6.538 10.297 1.00 0.00 C ATOM 1383 C TRP A 87 -6.932 -6.408 11.436 1.00 0.00 C ATOM 1384 O TRP A 87 -6.075 -7.245 11.645 1.00 0.00 O ATOM 1385 CB TRP A 87 -9.322 -6.672 10.890 1.00 0.00 C ATOM 1386 CG TRP A 87 -10.285 -6.627 9.782 1.00 0.00 C ATOM 1387 CD1 TRP A 87 -10.854 -7.701 9.219 1.00 0.00 C ATOM 1388 CD2 TRP A 87 -10.768 -5.468 9.062 1.00 0.00 C ATOM 1389 NE1 TRP A 87 -11.695 -7.276 8.220 1.00 0.00 N ATOM 1390 CE2 TRP A 87 -11.670 -5.905 8.077 1.00 0.00 C ATOM 1391 CE3 TRP A 87 -10.520 -4.091 9.176 1.00 0.00 C ATOM 1392 CZ2 TRP A 87 -12.307 -5.012 7.228 1.00 0.00 C ATOM 1393 CZ3 TRP A 87 -11.157 -3.185 8.319 1.00 0.00 C ATOM 1394 CH2 TRP A 87 -12.050 -3.646 7.345 1.00 0.00 C ATOM 0 H TRP A 87 -7.682 -8.630 9.950 1.00 0.00 H new ATOM 0 HA TRP A 87 -7.854 -5.652 9.667 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -9.414 -7.609 11.440 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -9.515 -5.866 11.598 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -10.681 -8.728 9.503 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -12.269 -7.899 7.652 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -9.835 -3.729 9.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -12.998 -5.372 6.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -10.959 -2.127 8.410 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -12.539 -2.945 6.685 1.00 0.00 H new ATOM 1405 N GLU A 88 -7.064 -5.347 12.181 1.00 0.00 N ATOM 1406 CA GLU A 88 -6.168 -5.096 13.340 1.00 0.00 C ATOM 1407 C GLU A 88 -7.048 -4.811 14.552 1.00 0.00 C ATOM 1408 O GLU A 88 -6.884 -5.379 15.615 1.00 0.00 O ATOM 1409 CB GLU A 88 -5.298 -3.866 13.069 1.00 0.00 C ATOM 1410 CG GLU A 88 -4.676 -3.938 11.665 1.00 0.00 C ATOM 1411 CD GLU A 88 -3.151 -4.036 11.773 1.00 0.00 C ATOM 1412 OE1 GLU A 88 -2.683 -4.875 12.525 1.00 0.00 O ATOM 1413 OE2 GLU A 88 -2.480 -3.270 11.102 1.00 0.00 O ATOM 0 H GLU A 88 -7.772 -4.628 12.030 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.525 -5.960 13.510 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.900 -2.962 13.159 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.509 -3.800 13.818 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.067 -4.802 11.129 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.952 -3.054 11.090 1.00 0.00 H new ATOM 1420 N SER A 89 -7.983 -3.920 14.378 1.00 0.00 N ATOM 1421 CA SER A 89 -8.907 -3.546 15.479 1.00 0.00 C ATOM 1422 C SER A 89 -10.346 -3.555 14.963 1.00 0.00 C ATOM 1423 O SER A 89 -11.239 -4.108 15.571 1.00 0.00 O ATOM 1424 CB SER A 89 -8.569 -2.130 15.938 1.00 0.00 C ATOM 1425 OG SER A 89 -8.861 -1.222 14.876 1.00 0.00 O ATOM 0 H SER A 89 -8.147 -3.427 13.500 1.00 0.00 H new ATOM 0 HA SER A 89 -8.804 -4.254 16.301 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.148 -1.872 16.825 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.516 -2.063 16.213 1.00 0.00 H new ATOM 0 HG SER A 89 -9.395 -0.476 15.221 1.00 0.00 H new ATOM 1431 N GLU A 90 -10.557 -2.918 13.842 1.00 0.00 N ATOM 1432 CA GLU A 90 -11.911 -2.811 13.215 1.00 0.00 C ATOM 1433 C GLU A 90 -11.833 -1.695 12.176 1.00 0.00 C ATOM 1434 O GLU A 90 -12.399 -1.779 11.106 1.00 0.00 O ATOM 1435 CB GLU A 90 -12.989 -2.451 14.251 1.00 0.00 C ATOM 1436 CG GLU A 90 -12.539 -1.237 15.071 1.00 0.00 C ATOM 1437 CD GLU A 90 -13.099 -1.342 16.491 1.00 0.00 C ATOM 1438 OE1 GLU A 90 -14.244 -0.965 16.684 1.00 0.00 O ATOM 1439 OE2 GLU A 90 -12.375 -1.797 17.361 1.00 0.00 O ATOM 0 H GLU A 90 -9.820 -2.450 13.315 1.00 0.00 H new ATOM 0 HA GLU A 90 -12.185 -3.769 12.773 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.931 -2.232 13.748 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.170 -3.300 14.911 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.450 -1.189 15.101 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.886 -0.318 14.599 1.00 0.00 H new ATOM 1446 N ASN A 91 -11.086 -0.665 12.486 1.00 0.00 N ATOM 1447 CA ASN A 91 -10.898 0.461 11.527 1.00 0.00 C ATOM 1448 C ASN A 91 -9.479 0.412 10.970 1.00 0.00 C ATOM 1449 O ASN A 91 -9.099 1.261 10.190 1.00 0.00 O ATOM 1450 CB ASN A 91 -11.112 1.799 12.217 1.00 0.00 C ATOM 1451 CG ASN A 91 -12.554 1.920 12.711 1.00 0.00 C ATOM 1452 OD1 ASN A 91 -13.261 0.939 12.824 1.00 0.00 O ATOM 1453 ND2 ASN A 91 -13.023 3.102 13.003 1.00 0.00 N ATOM 0 H ASN A 91 -10.594 -0.557 13.373 1.00 0.00 H new ATOM 0 HA ASN A 91 -11.627 0.359 10.723 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.424 1.896 13.057 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -10.888 2.612 11.526 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.985 3.203 13.327 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.428 3.925 12.907 1.00 0.00 H new ATOM 1460 N LYS A 92 -8.699 -0.589 11.327 1.00 0.00 N ATOM 1461 CA LYS A 92 -7.336 -0.705 10.745 1.00 0.00 C ATOM 1462 C LYS A 92 -7.250 -2.103 10.173 1.00 0.00 C ATOM 1463 O LYS A 92 -7.933 -2.996 10.621 1.00 0.00 O ATOM 1464 CB LYS A 92 -6.206 -0.461 11.762 1.00 0.00 C ATOM 1465 CG LYS A 92 -6.711 -0.571 13.195 1.00 0.00 C ATOM 1466 CD LYS A 92 -7.476 0.705 13.572 1.00 0.00 C ATOM 1467 CE LYS A 92 -7.107 1.126 14.997 1.00 0.00 C ATOM 1468 NZ LYS A 92 -5.999 2.120 14.951 1.00 0.00 N ATOM 0 H LYS A 92 -8.954 -1.320 11.991 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.194 0.067 9.988 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -5.407 -1.185 11.600 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.778 0.528 11.601 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -7.361 -1.440 13.296 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -5.873 -0.719 13.876 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.235 1.505 12.872 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.550 0.531 13.500 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -7.975 1.556 15.497 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -6.804 0.255 15.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.951 2.628 15.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -5.098 1.628 14.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -6.173 2.799 14.182 1.00 0.00 H new ATOM 1482 N MET A 93 -6.452 -2.293 9.175 1.00 0.00 N ATOM 1483 CA MET A 93 -6.358 -3.633 8.540 1.00 0.00 C ATOM 1484 C MET A 93 -4.967 -3.826 7.965 1.00 0.00 C ATOM 1485 O MET A 93 -4.183 -2.901 7.871 1.00 0.00 O ATOM 1486 CB MET A 93 -7.404 -3.808 7.410 1.00 0.00 C ATOM 1487 CG MET A 93 -7.936 -2.459 6.891 1.00 0.00 C ATOM 1488 SD MET A 93 -8.246 -2.561 5.109 1.00 0.00 S ATOM 1489 CE MET A 93 -9.300 -4.031 5.138 1.00 0.00 C ATOM 0 H MET A 93 -5.854 -1.576 8.764 1.00 0.00 H new ATOM 0 HA MET A 93 -6.559 -4.380 9.308 1.00 0.00 H new ATOM 0 HB2 MET A 93 -6.955 -4.361 6.585 1.00 0.00 H new ATOM 0 HB3 MET A 93 -8.237 -4.407 7.779 1.00 0.00 H new ATOM 0 HG2 MET A 93 -8.855 -2.195 7.414 1.00 0.00 H new ATOM 0 HG3 MET A 93 -7.214 -1.670 7.098 1.00 0.00 H new ATOM 0 HE1 MET A 93 -9.781 -4.153 4.168 1.00 0.00 H new ATOM 0 HE2 MET A 93 -8.693 -4.910 5.355 1.00 0.00 H new ATOM 0 HE3 MET A 93 -10.062 -3.917 5.909 1.00 0.00 H new ATOM 1499 N VAL A 94 -4.666 -5.029 7.587 1.00 0.00 N ATOM 1500 CA VAL A 94 -3.329 -5.334 7.018 1.00 0.00 C ATOM 1501 C VAL A 94 -3.483 -6.032 5.677 1.00 0.00 C ATOM 1502 O VAL A 94 -4.572 -6.247 5.185 1.00 0.00 O ATOM 1503 CB VAL A 94 -2.571 -6.272 7.960 1.00 0.00 C ATOM 1504 CG1 VAL A 94 -2.083 -5.498 9.180 1.00 0.00 C ATOM 1505 CG2 VAL A 94 -3.504 -7.397 8.405 1.00 0.00 C ATOM 0 H VAL A 94 -5.298 -5.827 7.648 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.783 -4.399 6.893 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.711 -6.692 7.439 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.544 -6.171 9.847 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.418 -4.696 8.860 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.937 -5.073 9.707 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.969 -8.069 9.077 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.363 -6.973 8.924 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.846 -7.953 7.532 1.00 0.00 H new ATOM 1515 N CYS A 95 -2.381 -6.401 5.106 1.00 0.00 N ATOM 1516 CA CYS A 95 -2.393 -7.118 3.811 1.00 0.00 C ATOM 1517 C CYS A 95 -1.031 -7.767 3.647 1.00 0.00 C ATOM 1518 O CYS A 95 -0.203 -7.306 2.889 1.00 0.00 O ATOM 1519 CB CYS A 95 -2.647 -6.144 2.673 1.00 0.00 C ATOM 1520 SG CYS A 95 -2.849 -7.065 1.127 1.00 0.00 S ATOM 0 H CYS A 95 -1.451 -6.232 5.490 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.185 -7.867 3.792 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -3.541 -5.554 2.877 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.816 -5.444 2.586 1.00 0.00 H new ATOM 0 HG CYS A 95 -2.828 -6.239 0.124 1.00 0.00 H new ATOM 1526 N GLU A 96 -0.780 -8.811 4.388 1.00 0.00 N ATOM 1527 CA GLU A 96 0.554 -9.462 4.316 1.00 0.00 C ATOM 1528 C GLU A 96 0.783 -10.090 2.944 1.00 0.00 C ATOM 1529 O GLU A 96 0.194 -11.097 2.600 1.00 0.00 O ATOM 1530 CB GLU A 96 0.680 -10.540 5.389 1.00 0.00 C ATOM 1531 CG GLU A 96 2.134 -11.012 5.438 1.00 0.00 C ATOM 1532 CD GLU A 96 2.243 -12.249 6.330 1.00 0.00 C ATOM 1533 OE1 GLU A 96 2.091 -13.344 5.813 1.00 0.00 O ATOM 1534 OE2 GLU A 96 2.477 -12.082 7.515 1.00 0.00 O ATOM 0 H GLU A 96 -1.440 -9.239 5.038 1.00 0.00 H new ATOM 0 HA GLU A 96 1.307 -8.692 4.483 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.377 -10.145 6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.018 -11.376 5.165 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.485 -11.244 4.433 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.772 -10.217 5.823 1.00 0.00 H new ATOM 1541 N GLN A 97 1.662 -9.508 2.175 1.00 0.00 N ATOM 1542 CA GLN A 97 1.980 -10.056 0.838 1.00 0.00 C ATOM 1543 C GLN A 97 3.270 -10.876 0.948 1.00 0.00 C ATOM 1544 O GLN A 97 4.284 -10.373 1.393 1.00 0.00 O ATOM 1545 CB GLN A 97 2.191 -8.896 -0.132 1.00 0.00 C ATOM 1546 CG GLN A 97 0.904 -8.075 -0.243 1.00 0.00 C ATOM 1547 CD GLN A 97 0.711 -7.601 -1.687 1.00 0.00 C ATOM 1548 OE1 GLN A 97 1.629 -7.638 -2.484 1.00 0.00 O ATOM 1549 NE2 GLN A 97 -0.456 -7.149 -2.060 1.00 0.00 N ATOM 0 H GLN A 97 2.177 -8.664 2.425 1.00 0.00 H new ATOM 0 HA GLN A 97 1.168 -10.687 0.477 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.008 -8.264 0.215 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.476 -9.277 -1.113 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.050 -8.677 0.069 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.951 -7.217 0.428 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -1.227 -7.117 -1.393 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.596 -6.828 -3.018 1.00 0.00 H new ATOM 1558 N LYS A 98 3.245 -12.132 0.570 1.00 0.00 N ATOM 1559 CA LYS A 98 4.487 -12.964 0.683 1.00 0.00 C ATOM 1560 C LYS A 98 4.803 -13.632 -0.657 1.00 0.00 C ATOM 1561 O LYS A 98 3.972 -13.686 -1.540 1.00 0.00 O ATOM 1562 CB LYS A 98 4.279 -14.043 1.749 1.00 0.00 C ATOM 1563 CG LYS A 98 3.027 -14.862 1.417 1.00 0.00 C ATOM 1564 CD LYS A 98 1.835 -14.325 2.212 1.00 0.00 C ATOM 1565 CE LYS A 98 0.753 -15.403 2.301 1.00 0.00 C ATOM 1566 NZ LYS A 98 -0.481 -14.820 2.900 1.00 0.00 N ATOM 0 H LYS A 98 2.429 -12.613 0.192 1.00 0.00 H new ATOM 0 HA LYS A 98 5.320 -12.319 0.963 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.151 -14.696 1.795 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.174 -13.582 2.731 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.818 -14.808 0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.193 -15.912 1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.154 -14.032 3.212 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.435 -13.433 1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.536 -15.799 1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.105 -16.238 2.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.217 -15.552 2.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.269 -14.463 3.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.820 -14.038 2.304 1.00 0.00 H new ATOM 1580 N LEU A 99 5.997 -14.157 -0.806 1.00 0.00 N ATOM 1581 CA LEU A 99 6.359 -14.845 -2.090 1.00 0.00 C ATOM 1582 C LEU A 99 6.285 -16.357 -1.892 1.00 0.00 C ATOM 1583 O LEU A 99 7.084 -17.107 -2.419 1.00 0.00 O ATOM 1584 CB LEU A 99 7.760 -14.448 -2.607 1.00 0.00 C ATOM 1585 CG LEU A 99 8.697 -14.081 -1.460 1.00 0.00 C ATOM 1586 CD1 LEU A 99 10.136 -14.439 -1.839 1.00 0.00 C ATOM 1587 CD2 LEU A 99 8.605 -12.577 -1.196 1.00 0.00 C ATOM 0 H LEU A 99 6.733 -14.140 -0.100 1.00 0.00 H new ATOM 0 HA LEU A 99 5.642 -14.525 -2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.186 -15.274 -3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.671 -13.603 -3.290 1.00 0.00 H new ATOM 0 HG LEU A 99 8.409 -14.632 -0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 99 10.804 -14.176 -1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 99 10.205 -15.509 -2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 99 10.425 -13.887 -2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 99 9.273 -12.310 -0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.896 -12.032 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.581 -12.316 -0.929 1.00 0.00 H new ATOM 1599 N LEU A 100 5.308 -16.806 -1.143 1.00 0.00 N ATOM 1600 CA LEU A 100 5.135 -18.271 -0.903 1.00 0.00 C ATOM 1601 C LEU A 100 6.393 -18.877 -0.271 1.00 0.00 C ATOM 1602 O LEU A 100 6.599 -20.075 -0.315 1.00 0.00 O ATOM 1603 CB LEU A 100 4.868 -18.962 -2.232 1.00 0.00 C ATOM 1604 CG LEU A 100 3.644 -18.330 -2.898 1.00 0.00 C ATOM 1605 CD1 LEU A 100 3.644 -18.660 -4.391 1.00 0.00 C ATOM 1606 CD2 LEU A 100 2.370 -18.882 -2.253 1.00 0.00 C ATOM 0 H LEU A 100 4.617 -16.213 -0.683 1.00 0.00 H new ATOM 0 HA LEU A 100 4.298 -18.415 -0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.737 -18.870 -2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.700 -20.027 -2.073 1.00 0.00 H new ATOM 0 HG LEU A 100 3.679 -17.248 -2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.771 -18.209 -4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.550 -18.265 -4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.611 -19.741 -4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.498 -18.432 -2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.336 -19.964 -2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.368 -18.644 -1.189 1.00 0.00 H new ATOM 1618 N LYS A 101 7.229 -18.065 0.315 1.00 0.00 N ATOM 1619 CA LYS A 101 8.475 -18.584 0.955 1.00 0.00 C ATOM 1620 C LYS A 101 9.243 -17.415 1.567 1.00 0.00 C ATOM 1621 O LYS A 101 9.368 -17.302 2.772 1.00 0.00 O ATOM 1622 CB LYS A 101 9.347 -19.277 -0.097 1.00 0.00 C ATOM 1623 CG LYS A 101 10.016 -20.508 0.520 1.00 0.00 C ATOM 1624 CD LYS A 101 11.020 -20.064 1.586 1.00 0.00 C ATOM 1625 CE LYS A 101 12.082 -21.149 1.772 1.00 0.00 C ATOM 1626 NZ LYS A 101 13.261 -20.843 0.913 1.00 0.00 N ATOM 0 H LYS A 101 7.103 -17.055 0.379 1.00 0.00 H new ATOM 0 HA LYS A 101 8.216 -19.303 1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.738 -19.572 -0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.104 -18.587 -0.468 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.263 -21.160 0.963 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.522 -21.086 -0.253 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.491 -19.127 1.289 1.00 0.00 H new ATOM 0 HD3 LYS A 101 10.506 -19.878 2.529 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.384 -21.201 2.818 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.671 -22.124 1.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.983 -21.581 1.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.966 -20.814 -0.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.657 -19.920 1.183 1.00 0.00 H new ATOM 1640 N GLY A 102 9.747 -16.541 0.740 1.00 0.00 N ATOM 1641 CA GLY A 102 10.504 -15.363 1.250 1.00 0.00 C ATOM 1642 C GLY A 102 12.003 -15.651 1.223 1.00 0.00 C ATOM 1643 O GLY A 102 12.451 -16.716 1.605 1.00 0.00 O ATOM 0 H GLY A 102 9.666 -16.593 -0.275 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.283 -14.487 0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.189 -15.131 2.267 1.00 0.00 H new ATOM 1647 N GLU A 103 12.776 -14.695 0.790 1.00 0.00 N ATOM 1648 CA GLU A 103 14.254 -14.873 0.745 1.00 0.00 C ATOM 1649 C GLU A 103 14.873 -14.010 1.843 1.00 0.00 C ATOM 1650 O GLU A 103 15.831 -14.393 2.487 1.00 0.00 O ATOM 1651 CB GLU A 103 14.796 -14.449 -0.626 1.00 0.00 C ATOM 1652 CG GLU A 103 14.251 -13.069 -1.005 1.00 0.00 C ATOM 1653 CD GLU A 103 14.927 -12.590 -2.291 1.00 0.00 C ATOM 1654 OE1 GLU A 103 16.141 -12.688 -2.371 1.00 0.00 O ATOM 1655 OE2 GLU A 103 14.220 -12.134 -3.174 1.00 0.00 O ATOM 0 H GLU A 103 12.443 -13.788 0.462 1.00 0.00 H new ATOM 0 HA GLU A 103 14.509 -15.921 0.903 1.00 0.00 H new ATOM 0 HB2 GLU A 103 15.885 -14.424 -0.603 1.00 0.00 H new ATOM 0 HB3 GLU A 103 14.510 -15.181 -1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.171 -13.119 -1.146 1.00 0.00 H new ATOM 0 HG3 GLU A 103 14.435 -12.359 -0.198 1.00 0.00 H new ATOM 1662 N GLY A 104 14.309 -12.854 2.068 1.00 0.00 N ATOM 1663 CA GLY A 104 14.819 -11.948 3.129 1.00 0.00 C ATOM 1664 C GLY A 104 13.641 -11.110 3.653 1.00 0.00 C ATOM 1665 O GLY A 104 12.984 -11.515 4.591 1.00 0.00 O ATOM 0 H GLY A 104 13.505 -12.497 1.552 1.00 0.00 H new ATOM 0 HA2 GLY A 104 15.265 -12.525 3.939 1.00 0.00 H new ATOM 0 HA3 GLY A 104 15.600 -11.299 2.732 1.00 0.00 H new ATOM 1669 N PRO A 105 13.383 -9.970 3.032 1.00 0.00 N ATOM 1670 CA PRO A 105 12.269 -9.102 3.440 1.00 0.00 C ATOM 1671 C PRO A 105 10.959 -9.582 2.798 1.00 0.00 C ATOM 1672 O PRO A 105 10.850 -10.722 2.386 1.00 0.00 O ATOM 1673 CB PRO A 105 12.677 -7.727 2.914 1.00 0.00 C ATOM 1674 CG PRO A 105 13.686 -7.969 1.765 1.00 0.00 C ATOM 1675 CD PRO A 105 14.166 -9.430 1.894 1.00 0.00 C ATOM 0 HA PRO A 105 12.091 -9.099 4.515 1.00 0.00 H new ATOM 0 HB2 PRO A 105 11.807 -7.177 2.555 1.00 0.00 H new ATOM 0 HB3 PRO A 105 13.129 -7.129 3.705 1.00 0.00 H new ATOM 0 HG2 PRO A 105 13.216 -7.801 0.796 1.00 0.00 H new ATOM 0 HG3 PRO A 105 14.526 -7.278 1.836 1.00 0.00 H new ATOM 0 HD2 PRO A 105 13.980 -9.993 0.979 1.00 0.00 H new ATOM 0 HD3 PRO A 105 15.237 -9.482 2.087 1.00 0.00 H new ATOM 1683 N LYS A 106 9.960 -8.732 2.726 1.00 0.00 N ATOM 1684 CA LYS A 106 8.659 -9.151 2.132 1.00 0.00 C ATOM 1685 C LYS A 106 7.779 -7.928 1.869 1.00 0.00 C ATOM 1686 O LYS A 106 8.095 -6.824 2.270 1.00 0.00 O ATOM 1687 CB LYS A 106 7.958 -10.071 3.122 1.00 0.00 C ATOM 1688 CG LYS A 106 7.322 -11.249 2.380 1.00 0.00 C ATOM 1689 CD LYS A 106 7.251 -12.462 3.309 1.00 0.00 C ATOM 1690 CE LYS A 106 8.551 -13.263 3.211 1.00 0.00 C ATOM 1691 NZ LYS A 106 8.290 -14.685 3.576 1.00 0.00 N ATOM 0 H LYS A 106 9.994 -7.767 3.054 1.00 0.00 H new ATOM 0 HA LYS A 106 8.835 -9.665 1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 106 8.672 -10.438 3.859 1.00 0.00 H new ATOM 0 HB3 LYS A 106 7.193 -9.518 3.667 1.00 0.00 H new ATOM 0 HG2 LYS A 106 6.322 -10.980 2.039 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.907 -11.491 1.493 1.00 0.00 H new ATOM 0 HD2 LYS A 106 7.090 -12.136 4.337 1.00 0.00 H new ATOM 0 HD3 LYS A 106 6.403 -13.091 3.037 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.951 -13.204 2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 106 9.303 -12.838 3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.080 -15.047 4.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 7.409 -14.746 4.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 8.200 -15.255 2.711 1.00 0.00 H new ATOM 1705 N THR A 107 6.668 -8.128 1.207 1.00 0.00 N ATOM 1706 CA THR A 107 5.749 -6.997 0.911 1.00 0.00 C ATOM 1707 C THR A 107 4.520 -7.087 1.816 1.00 0.00 C ATOM 1708 O THR A 107 4.258 -8.108 2.419 1.00 0.00 O ATOM 1709 CB THR A 107 5.311 -7.087 -0.555 1.00 0.00 C ATOM 1710 OG1 THR A 107 5.195 -8.452 -0.937 1.00 0.00 O ATOM 1711 CG2 THR A 107 6.342 -6.406 -1.447 1.00 0.00 C ATOM 0 H THR A 107 6.359 -9.035 0.858 1.00 0.00 H new ATOM 0 HA THR A 107 6.258 -6.050 1.090 1.00 0.00 H new ATOM 0 HB THR A 107 4.347 -6.590 -0.667 1.00 0.00 H new ATOM 0 HG1 THR A 107 4.913 -8.507 -1.874 1.00 0.00 H new ATOM 0 HG21 THR A 107 6.024 -6.474 -2.487 1.00 0.00 H new ATOM 0 HG22 THR A 107 6.433 -5.358 -1.163 1.00 0.00 H new ATOM 0 HG23 THR A 107 7.307 -6.899 -1.329 1.00 0.00 H new ATOM 1719 N SER A 108 3.769 -6.017 1.918 1.00 0.00 N ATOM 1720 CA SER A 108 2.547 -6.014 2.784 1.00 0.00 C ATOM 1721 C SER A 108 1.983 -4.590 2.844 1.00 0.00 C ATOM 1722 O SER A 108 2.622 -3.654 2.408 1.00 0.00 O ATOM 1723 CB SER A 108 2.914 -6.456 4.205 1.00 0.00 C ATOM 1724 OG SER A 108 4.213 -5.973 4.525 1.00 0.00 O ATOM 0 H SER A 108 3.952 -5.138 1.434 1.00 0.00 H new ATOM 0 HA SER A 108 1.809 -6.700 2.367 1.00 0.00 H new ATOM 0 HB2 SER A 108 2.184 -6.072 4.918 1.00 0.00 H new ATOM 0 HB3 SER A 108 2.889 -7.543 4.278 1.00 0.00 H new ATOM 0 HG SER A 108 4.451 -6.252 5.434 1.00 0.00 H new ATOM 1730 N TRP A 109 0.816 -4.410 3.420 1.00 0.00 N ATOM 1731 CA TRP A 109 0.256 -3.028 3.554 1.00 0.00 C ATOM 1732 C TRP A 109 -0.852 -3.013 4.580 1.00 0.00 C ATOM 1733 O TRP A 109 -1.615 -3.953 4.705 1.00 0.00 O ATOM 1734 CB TRP A 109 -0.242 -2.436 2.217 1.00 0.00 C ATOM 1735 CG TRP A 109 -1.447 -3.109 1.630 1.00 0.00 C ATOM 1736 CD1 TRP A 109 -1.433 -3.759 0.448 1.00 0.00 C ATOM 1737 CD2 TRP A 109 -2.841 -3.144 2.101 1.00 0.00 C ATOM 1738 NE1 TRP A 109 -2.709 -4.205 0.158 1.00 0.00 N ATOM 1739 CE2 TRP A 109 -3.612 -3.858 1.142 1.00 0.00 C ATOM 1740 CE3 TRP A 109 -3.514 -2.651 3.248 1.00 0.00 C ATOM 1741 CZ2 TRP A 109 -4.984 -4.068 1.312 1.00 0.00 C ATOM 1742 CZ3 TRP A 109 -4.889 -2.869 3.412 1.00 0.00 C ATOM 1743 CH2 TRP A 109 -5.618 -3.574 2.447 1.00 0.00 C ATOM 0 H TRP A 109 0.232 -5.155 3.800 1.00 0.00 H new ATOM 0 HA TRP A 109 1.076 -2.391 3.885 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -0.472 -1.381 2.368 1.00 0.00 H new ATOM 0 HB3 TRP A 109 0.570 -2.484 1.492 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -0.562 -3.908 -0.174 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -2.954 -4.728 -0.683 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -2.964 -2.104 4.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -5.547 -4.610 0.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -5.390 -2.490 4.290 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -6.677 -3.735 2.584 1.00 0.00 H new ATOM 1754 N THR A 110 -0.938 -1.943 5.329 1.00 0.00 N ATOM 1755 CA THR A 110 -2.000 -1.852 6.369 1.00 0.00 C ATOM 1756 C THR A 110 -2.745 -0.522 6.259 1.00 0.00 C ATOM 1757 O THR A 110 -2.198 0.536 6.482 1.00 0.00 O ATOM 1758 CB THR A 110 -1.382 -1.979 7.760 1.00 0.00 C ATOM 1759 OG1 THR A 110 -0.686 -0.783 8.082 1.00 0.00 O ATOM 1760 CG2 THR A 110 -0.416 -3.163 7.796 1.00 0.00 C ATOM 0 H THR A 110 -0.321 -1.134 5.264 1.00 0.00 H new ATOM 0 HA THR A 110 -2.707 -2.666 6.212 1.00 0.00 H new ATOM 0 HB THR A 110 -2.174 -2.145 8.490 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.860 -0.108 7.393 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.020 -3.246 8.791 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.955 -4.080 7.558 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.377 -3.008 7.064 1.00 0.00 H new ATOM 1768 N ARG A 111 -4.004 -0.589 5.937 1.00 0.00 N ATOM 1769 CA ARG A 111 -4.834 0.653 5.818 1.00 0.00 C ATOM 1770 C ARG A 111 -5.455 0.952 7.181 1.00 0.00 C ATOM 1771 O ARG A 111 -6.121 0.122 7.744 1.00 0.00 O ATOM 1772 CB ARG A 111 -5.938 0.422 4.777 1.00 0.00 C ATOM 1773 CG ARG A 111 -5.406 0.733 3.378 1.00 0.00 C ATOM 1774 CD ARG A 111 -6.578 1.023 2.439 1.00 0.00 C ATOM 1775 NE ARG A 111 -7.216 -0.259 2.018 1.00 0.00 N ATOM 1776 CZ ARG A 111 -8.517 -0.403 2.080 1.00 0.00 C ATOM 1777 NH1 ARG A 111 -9.305 0.624 1.896 1.00 0.00 N ATOM 1778 NH2 ARG A 111 -9.030 -1.579 2.318 1.00 0.00 N ATOM 0 H ARG A 111 -4.504 -1.457 5.748 1.00 0.00 H new ATOM 0 HA ARG A 111 -4.219 1.496 5.502 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -6.283 -0.611 4.823 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -6.797 1.055 4.998 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.735 1.591 3.415 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.825 -0.110 3.003 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -7.310 1.657 2.940 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -6.228 1.571 1.564 1.00 0.00 H new ATOM 0 HE ARG A 111 -6.636 -1.027 1.680 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -8.908 1.543 1.703 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -10.317 0.506 1.945 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -8.419 -2.384 2.455 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -10.042 -1.693 2.367 1.00 0.00 H new ATOM 1792 N GLU A 112 -5.234 2.121 7.728 1.00 0.00 N ATOM 1793 CA GLU A 112 -5.810 2.426 9.071 1.00 0.00 C ATOM 1794 C GLU A 112 -6.600 3.733 9.013 1.00 0.00 C ATOM 1795 O GLU A 112 -6.287 4.626 8.262 1.00 0.00 O ATOM 1796 CB GLU A 112 -4.666 2.521 10.095 1.00 0.00 C ATOM 1797 CG GLU A 112 -5.200 2.953 11.466 1.00 0.00 C ATOM 1798 CD GLU A 112 -4.288 2.406 12.566 1.00 0.00 C ATOM 1799 OE1 GLU A 112 -3.857 1.272 12.441 1.00 0.00 O ATOM 1800 OE2 GLU A 112 -4.036 3.131 13.514 1.00 0.00 O ATOM 0 H GLU A 112 -4.685 2.870 7.307 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.493 1.632 9.374 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -4.167 1.556 10.181 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -3.919 3.236 9.748 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.245 4.041 11.524 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.216 2.584 11.605 1.00 0.00 H new ATOM 1807 N LEU A 113 -7.626 3.829 9.811 1.00 0.00 N ATOM 1808 CA LEU A 113 -8.471 5.056 9.844 1.00 0.00 C ATOM 1809 C LEU A 113 -8.208 5.786 11.164 1.00 0.00 C ATOM 1810 O LEU A 113 -7.647 5.218 12.084 1.00 0.00 O ATOM 1811 CB LEU A 113 -9.946 4.628 9.785 1.00 0.00 C ATOM 1812 CG LEU A 113 -10.428 4.385 8.343 1.00 0.00 C ATOM 1813 CD1 LEU A 113 -10.721 5.714 7.662 1.00 0.00 C ATOM 1814 CD2 LEU A 113 -9.396 3.597 7.540 1.00 0.00 C ATOM 0 H LEU A 113 -7.920 3.094 10.454 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.240 5.711 9.004 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -10.081 3.718 10.369 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -10.564 5.398 10.247 1.00 0.00 H new ATOM 0 HG LEU A 113 -11.343 3.794 8.385 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -11.061 5.533 6.642 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -11.497 6.243 8.215 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -9.815 6.319 7.640 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -9.765 3.441 6.526 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -8.460 4.155 7.504 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -9.225 2.631 8.016 1.00 0.00 H new ATOM 1873 N GLU A 118 -8.502 10.644 8.224 1.00 0.00 N ATOM 1874 CA GLU A 118 -7.012 10.640 8.245 1.00 0.00 C ATOM 1875 C GLU A 118 -6.532 9.201 8.023 1.00 0.00 C ATOM 1876 O GLU A 118 -5.814 8.634 8.824 1.00 0.00 O ATOM 1877 CB GLU A 118 -6.514 11.159 9.596 1.00 0.00 C ATOM 1878 CG GLU A 118 -6.297 12.671 9.513 1.00 0.00 C ATOM 1879 CD GLU A 118 -5.168 13.078 10.462 1.00 0.00 C ATOM 1880 OE1 GLU A 118 -4.024 12.795 10.146 1.00 0.00 O ATOM 1881 OE2 GLU A 118 -5.467 13.665 11.489 1.00 0.00 O ATOM 0 HA GLU A 118 -6.620 11.287 7.460 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -7.239 10.927 10.376 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -5.583 10.662 9.868 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -6.048 12.958 8.491 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -7.215 13.196 9.777 1.00 0.00 H new ATOM 1888 N LEU A 119 -6.959 8.607 6.944 1.00 0.00 N ATOM 1889 CA LEU A 119 -6.587 7.194 6.639 1.00 0.00 C ATOM 1890 C LEU A 119 -5.075 7.047 6.419 1.00 0.00 C ATOM 1891 O LEU A 119 -4.562 7.392 5.377 1.00 0.00 O ATOM 1892 CB LEU A 119 -7.326 6.773 5.366 1.00 0.00 C ATOM 1893 CG LEU A 119 -7.352 5.246 5.243 1.00 0.00 C ATOM 1894 CD1 LEU A 119 -8.735 4.789 4.769 1.00 0.00 C ATOM 1895 CD2 LEU A 119 -6.300 4.797 4.229 1.00 0.00 C ATOM 0 H LEU A 119 -7.560 9.047 6.248 1.00 0.00 H new ATOM 0 HA LEU A 119 -6.864 6.563 7.483 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.345 7.160 5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -6.836 7.206 4.494 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.136 4.805 6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.749 3.703 4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.489 5.106 5.489 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.952 5.233 3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.319 3.711 4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.517 5.243 3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.313 5.117 4.563 1.00 0.00 H new ATOM 1907 N ILE A 120 -4.359 6.507 7.378 1.00 0.00 N ATOM 1908 CA ILE A 120 -2.886 6.316 7.188 1.00 0.00 C ATOM 1909 C ILE A 120 -2.649 4.912 6.624 1.00 0.00 C ATOM 1910 O ILE A 120 -2.869 3.921 7.285 1.00 0.00 O ATOM 1911 CB ILE A 120 -2.157 6.514 8.522 1.00 0.00 C ATOM 1912 CG1 ILE A 120 -2.585 5.446 9.534 1.00 0.00 C ATOM 1913 CG2 ILE A 120 -2.517 7.890 9.066 1.00 0.00 C ATOM 1914 CD1 ILE A 120 -1.519 4.349 9.599 1.00 0.00 C ATOM 0 H ILE A 120 -4.727 6.193 8.276 1.00 0.00 H new ATOM 0 HA ILE A 120 -2.492 7.052 6.487 1.00 0.00 H new ATOM 0 HB ILE A 120 -1.082 6.430 8.362 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.720 5.895 10.518 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -3.545 5.019 9.244 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -2.008 8.050 10.016 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -2.207 8.655 8.354 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.595 7.951 9.217 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -1.823 3.589 10.319 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -1.406 3.893 8.615 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -0.569 4.783 9.909 1.00 0.00 H new ATOM 1926 N LEU A 121 -2.243 4.830 5.387 1.00 0.00 N ATOM 1927 CA LEU A 121 -2.044 3.505 4.743 1.00 0.00 C ATOM 1928 C LEU A 121 -0.551 3.253 4.455 1.00 0.00 C ATOM 1929 O LEU A 121 0.084 3.948 3.684 1.00 0.00 O ATOM 1930 CB LEU A 121 -2.903 3.486 3.453 1.00 0.00 C ATOM 1931 CG LEU A 121 -2.585 2.303 2.514 1.00 0.00 C ATOM 1932 CD1 LEU A 121 -1.355 2.626 1.668 1.00 0.00 C ATOM 1933 CD2 LEU A 121 -2.337 1.016 3.304 1.00 0.00 C ATOM 0 H LEU A 121 -2.039 5.632 4.791 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.360 2.698 5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.957 3.446 3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.750 4.420 2.911 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.448 2.148 1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.137 1.787 1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -1.548 3.517 1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -0.501 2.805 2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.116 0.202 2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.492 1.160 3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.226 0.768 3.884 1.00 0.00 H new ATOM 1945 N THR A 122 -0.011 2.235 5.079 1.00 0.00 N ATOM 1946 CA THR A 122 1.416 1.851 4.885 1.00 0.00 C ATOM 1947 C THR A 122 1.492 0.727 3.850 1.00 0.00 C ATOM 1948 O THR A 122 0.525 0.049 3.598 1.00 0.00 O ATOM 1949 CB THR A 122 1.956 1.308 6.203 1.00 0.00 C ATOM 1950 OG1 THR A 122 1.767 2.268 7.231 1.00 0.00 O ATOM 1951 CG2 THR A 122 3.441 0.981 6.064 1.00 0.00 C ATOM 0 H THR A 122 -0.518 1.639 5.733 1.00 0.00 H new ATOM 0 HA THR A 122 1.991 2.716 4.555 1.00 0.00 H new ATOM 0 HB THR A 122 1.416 0.397 6.460 1.00 0.00 H new ATOM 0 HG1 THR A 122 2.114 1.914 8.077 1.00 0.00 H new ATOM 0 HG21 THR A 122 3.818 0.594 7.010 1.00 0.00 H new ATOM 0 HG22 THR A 122 3.577 0.231 5.285 1.00 0.00 H new ATOM 0 HG23 THR A 122 3.989 1.885 5.797 1.00 0.00 H new ATOM 1959 N MET A 123 2.640 0.497 3.284 1.00 0.00 N ATOM 1960 CA MET A 123 2.772 -0.618 2.298 1.00 0.00 C ATOM 1961 C MET A 123 4.240 -1.007 2.175 1.00 0.00 C ATOM 1962 O MET A 123 4.986 -0.430 1.407 1.00 0.00 O ATOM 1963 CB MET A 123 2.227 -0.194 0.936 1.00 0.00 C ATOM 1964 CG MET A 123 2.204 -1.408 -0.004 1.00 0.00 C ATOM 1965 SD MET A 123 3.562 -1.300 -1.199 1.00 0.00 S ATOM 1966 CE MET A 123 3.665 -3.065 -1.586 1.00 0.00 C ATOM 0 H MET A 123 3.493 1.028 3.458 1.00 0.00 H new ATOM 0 HA MET A 123 2.195 -1.474 2.647 1.00 0.00 H new ATOM 0 HB2 MET A 123 1.222 0.215 1.045 1.00 0.00 H new ATOM 0 HB3 MET A 123 2.848 0.596 0.513 1.00 0.00 H new ATOM 0 HG2 MET A 123 2.292 -2.327 0.575 1.00 0.00 H new ATOM 0 HG3 MET A 123 1.250 -1.452 -0.530 1.00 0.00 H new ATOM 0 HE1 MET A 123 4.604 -3.271 -2.100 1.00 0.00 H new ATOM 0 HE2 MET A 123 3.622 -3.643 -0.663 1.00 0.00 H new ATOM 0 HE3 MET A 123 2.831 -3.346 -2.229 1.00 0.00 H new ATOM 1976 N THR A 124 4.657 -1.976 2.944 1.00 0.00 N ATOM 1977 CA THR A 124 6.089 -2.402 2.905 1.00 0.00 C ATOM 1978 C THR A 124 6.386 -3.136 1.609 1.00 0.00 C ATOM 1979 O THR A 124 5.495 -3.497 0.863 1.00 0.00 O ATOM 1980 CB THR A 124 6.464 -3.304 4.112 1.00 0.00 C ATOM 1981 OG1 THR A 124 6.357 -4.679 3.758 1.00 0.00 O ATOM 1982 CG2 THR A 124 5.566 -3.041 5.326 1.00 0.00 C ATOM 0 H THR A 124 4.069 -2.492 3.598 1.00 0.00 H new ATOM 0 HA THR A 124 6.694 -1.497 2.963 1.00 0.00 H new ATOM 0 HB THR A 124 7.493 -3.061 4.379 1.00 0.00 H new ATOM 0 HG1 THR A 124 5.698 -5.115 4.337 1.00 0.00 H new ATOM 0 HG21 THR A 124 5.864 -3.694 6.147 1.00 0.00 H new ATOM 0 HG22 THR A 124 5.667 -2.000 5.635 1.00 0.00 H new ATOM 0 HG23 THR A 124 4.528 -3.242 5.061 1.00 0.00 H new ATOM 1990 N ALA A 125 7.647 -3.355 1.345 1.00 0.00 N ATOM 1991 CA ALA A 125 8.025 -4.071 0.092 1.00 0.00 C ATOM 1992 C ALA A 125 9.526 -4.343 0.020 1.00 0.00 C ATOM 1993 O ALA A 125 10.312 -3.475 -0.296 1.00 0.00 O ATOM 1994 CB ALA A 125 7.617 -3.232 -1.112 1.00 0.00 C ATOM 0 H ALA A 125 8.427 -3.071 1.938 1.00 0.00 H new ATOM 0 HA ALA A 125 7.506 -5.030 0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 125 7.892 -3.753 -2.029 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.539 -3.072 -1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.127 -2.270 -1.075 1.00 0.00 H new ATOM 2000 N ASP A 126 9.932 -5.560 0.270 1.00 0.00 N ATOM 2001 CA ASP A 126 11.388 -5.893 0.194 1.00 0.00 C ATOM 2002 C ASP A 126 12.139 -5.132 1.289 1.00 0.00 C ATOM 2003 O ASP A 126 13.285 -4.764 1.121 1.00 0.00 O ATOM 2004 CB ASP A 126 11.946 -5.497 -1.177 1.00 0.00 C ATOM 2005 CG ASP A 126 12.874 -6.597 -1.699 1.00 0.00 C ATOM 2006 OD1 ASP A 126 12.488 -7.752 -1.629 1.00 0.00 O ATOM 2007 OD2 ASP A 126 13.954 -6.265 -2.159 1.00 0.00 O ATOM 0 H ASP A 126 9.321 -6.337 0.523 1.00 0.00 H new ATOM 0 HA ASP A 126 11.518 -6.966 0.335 1.00 0.00 H new ATOM 0 HB2 ASP A 126 11.128 -5.335 -1.879 1.00 0.00 H new ATOM 0 HB3 ASP A 126 12.491 -4.556 -1.100 1.00 0.00 H new ATOM 2012 N ASP A 127 11.475 -4.908 2.404 1.00 0.00 N ATOM 2013 CA ASP A 127 12.060 -4.185 3.592 1.00 0.00 C ATOM 2014 C ASP A 127 11.745 -2.690 3.527 1.00 0.00 C ATOM 2015 O ASP A 127 11.996 -1.969 4.477 1.00 0.00 O ATOM 2016 CB ASP A 127 13.580 -4.385 3.705 1.00 0.00 C ATOM 2017 CG ASP A 127 13.995 -4.342 5.177 1.00 0.00 C ATOM 2018 OD1 ASP A 127 13.428 -5.093 5.954 1.00 0.00 O ATOM 2019 OD2 ASP A 127 14.873 -3.560 5.502 1.00 0.00 O ATOM 0 H ASP A 127 10.511 -5.209 2.546 1.00 0.00 H new ATOM 0 HA ASP A 127 11.597 -4.617 4.479 1.00 0.00 H new ATOM 0 HB2 ASP A 127 13.865 -5.340 3.264 1.00 0.00 H new ATOM 0 HB3 ASP A 127 14.102 -3.608 3.147 1.00 0.00 H new ATOM 2024 N VAL A 128 11.181 -2.212 2.442 1.00 0.00 N ATOM 2025 CA VAL A 128 10.842 -0.772 2.367 1.00 0.00 C ATOM 2026 C VAL A 128 9.496 -0.563 3.055 1.00 0.00 C ATOM 2027 O VAL A 128 8.850 -1.506 3.467 1.00 0.00 O ATOM 2028 CB VAL A 128 10.755 -0.333 0.891 1.00 0.00 C ATOM 2029 CG1 VAL A 128 12.021 -0.759 0.145 1.00 0.00 C ATOM 2030 CG2 VAL A 128 9.540 -0.967 0.209 1.00 0.00 C ATOM 0 H VAL A 128 10.946 -2.760 1.615 1.00 0.00 H new ATOM 0 HA VAL A 128 11.610 -0.176 2.860 1.00 0.00 H new ATOM 0 HB VAL A 128 10.655 0.752 0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 128 11.952 -0.446 -0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 128 12.890 -0.292 0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 128 12.123 -1.843 0.192 1.00 0.00 H new ATOM 0 HG21 VAL A 128 9.497 -0.644 -0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 128 9.626 -2.053 0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 128 8.631 -0.656 0.723 1.00 0.00 H new ATOM 2040 N VAL A 129 9.069 0.656 3.157 1.00 0.00 N ATOM 2041 CA VAL A 129 7.754 0.933 3.780 1.00 0.00 C ATOM 2042 C VAL A 129 7.230 2.278 3.278 1.00 0.00 C ATOM 2043 O VAL A 129 7.828 3.318 3.474 1.00 0.00 O ATOM 2044 CB VAL A 129 7.883 0.855 5.319 1.00 0.00 C ATOM 2045 CG1 VAL A 129 7.011 1.906 6.039 1.00 0.00 C ATOM 2046 CG2 VAL A 129 7.434 -0.539 5.758 1.00 0.00 C ATOM 0 H VAL A 129 9.577 1.479 2.834 1.00 0.00 H new ATOM 0 HA VAL A 129 7.019 0.181 3.492 1.00 0.00 H new ATOM 0 HB VAL A 129 8.921 1.054 5.585 1.00 0.00 H new ATOM 0 HG11 VAL A 129 7.139 1.808 7.117 1.00 0.00 H new ATOM 0 HG12 VAL A 129 7.314 2.906 5.727 1.00 0.00 H new ATOM 0 HG13 VAL A 129 5.964 1.748 5.782 1.00 0.00 H new ATOM 0 HG21 VAL A 129 7.515 -0.623 6.842 1.00 0.00 H new ATOM 0 HG22 VAL A 129 6.398 -0.699 5.458 1.00 0.00 H new ATOM 0 HG23 VAL A 129 8.068 -1.290 5.288 1.00 0.00 H new ATOM 2056 N CYS A 130 6.098 2.234 2.638 1.00 0.00 N ATOM 2057 CA CYS A 130 5.475 3.475 2.107 1.00 0.00 C ATOM 2058 C CYS A 130 4.363 3.903 3.061 1.00 0.00 C ATOM 2059 O CYS A 130 3.220 3.517 2.904 1.00 0.00 O ATOM 2060 CB CYS A 130 4.886 3.202 0.721 1.00 0.00 C ATOM 2061 SG CYS A 130 4.550 4.774 -0.112 1.00 0.00 S ATOM 0 H CYS A 130 5.571 1.380 2.458 1.00 0.00 H new ATOM 0 HA CYS A 130 6.223 4.264 2.025 1.00 0.00 H new ATOM 0 HB2 CYS A 130 5.581 2.606 0.130 1.00 0.00 H new ATOM 0 HB3 CYS A 130 3.967 2.623 0.812 1.00 0.00 H new ATOM 0 HG CYS A 130 4.052 4.543 -1.290 1.00 0.00 H new ATOM 2067 N THR A 131 4.697 4.682 4.057 1.00 0.00 N ATOM 2068 CA THR A 131 3.671 5.131 5.040 1.00 0.00 C ATOM 2069 C THR A 131 3.279 6.576 4.749 1.00 0.00 C ATOM 2070 O THR A 131 4.060 7.490 4.941 1.00 0.00 O ATOM 2071 CB THR A 131 4.249 5.046 6.453 1.00 0.00 C ATOM 2072 OG1 THR A 131 4.894 3.791 6.625 1.00 0.00 O ATOM 2073 CG2 THR A 131 3.122 5.189 7.476 1.00 0.00 C ATOM 0 H THR A 131 5.641 5.027 4.231 1.00 0.00 H new ATOM 0 HA THR A 131 2.793 4.490 4.960 1.00 0.00 H new ATOM 0 HB THR A 131 4.972 5.848 6.599 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.266 3.736 7.530 1.00 0.00 H new ATOM 0 HG21 THR A 131 3.535 5.128 8.483 1.00 0.00 H new ATOM 0 HG22 THR A 131 2.630 6.152 7.343 1.00 0.00 H new ATOM 0 HG23 THR A 131 2.397 4.388 7.332 1.00 0.00 H new ATOM 2081 N ARG A 132 2.072 6.790 4.299 1.00 0.00 N ATOM 2082 CA ARG A 132 1.616 8.183 4.004 1.00 0.00 C ATOM 2083 C ARG A 132 0.194 8.359 4.521 1.00 0.00 C ATOM 2084 O ARG A 132 -0.645 7.492 4.358 1.00 0.00 O ATOM 2085 CB ARG A 132 1.656 8.482 2.491 1.00 0.00 C ATOM 2086 CG ARG A 132 1.451 7.209 1.661 1.00 0.00 C ATOM 2087 CD ARG A 132 1.425 7.577 0.178 1.00 0.00 C ATOM 2088 NE ARG A 132 1.756 6.376 -0.639 1.00 0.00 N ATOM 2089 CZ ARG A 132 1.953 6.495 -1.924 1.00 0.00 C ATOM 2090 NH1 ARG A 132 3.132 6.829 -2.374 1.00 0.00 N ATOM 2091 NH2 ARG A 132 0.973 6.280 -2.757 1.00 0.00 N ATOM 0 H ARG A 132 1.380 6.061 4.122 1.00 0.00 H new ATOM 0 HA ARG A 132 2.291 8.880 4.501 1.00 0.00 H new ATOM 0 HB2 ARG A 132 0.882 9.208 2.242 1.00 0.00 H new ATOM 0 HB3 ARG A 132 2.613 8.935 2.234 1.00 0.00 H new ATOM 0 HG2 ARG A 132 2.254 6.498 1.858 1.00 0.00 H new ATOM 0 HG3 ARG A 132 0.518 6.722 1.944 1.00 0.00 H new ATOM 0 HD2 ARG A 132 0.440 7.956 -0.096 1.00 0.00 H new ATOM 0 HD3 ARG A 132 2.141 8.374 -0.022 1.00 0.00 H new ATOM 0 HE ARG A 132 1.829 5.461 -0.194 1.00 0.00 H new ATOM 0 HH11 ARG A 132 3.898 6.997 -1.722 1.00 0.00 H new ATOM 0 HH12 ARG A 132 3.287 6.922 -3.378 1.00 0.00 H new ATOM 0 HH21 ARG A 132 0.052 6.019 -2.405 1.00 0.00 H new ATOM 0 HH22 ARG A 132 1.127 6.373 -3.761 1.00 0.00 H new ATOM 2105 N VAL A 133 -0.083 9.476 5.144 1.00 0.00 N ATOM 2106 CA VAL A 133 -1.451 9.712 5.674 1.00 0.00 C ATOM 2107 C VAL A 133 -2.360 10.105 4.516 1.00 0.00 C ATOM 2108 O VAL A 133 -1.912 10.580 3.495 1.00 0.00 O ATOM 2109 CB VAL A 133 -1.411 10.833 6.729 1.00 0.00 C ATOM 2110 CG1 VAL A 133 -2.835 11.216 7.150 1.00 0.00 C ATOM 2111 CG2 VAL A 133 -0.630 10.348 7.956 1.00 0.00 C ATOM 0 H VAL A 133 0.582 10.232 5.306 1.00 0.00 H new ATOM 0 HA VAL A 133 -1.834 8.807 6.146 1.00 0.00 H new ATOM 0 HB VAL A 133 -0.921 11.707 6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -2.793 12.009 7.896 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -3.390 11.566 6.280 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -3.336 10.346 7.574 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -0.600 11.140 8.705 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -1.121 9.470 8.376 1.00 0.00 H new ATOM 0 HG23 VAL A 133 0.387 10.089 7.661 1.00 0.00 H new ATOM 2121 N TYR A 134 -3.634 9.914 4.683 1.00 0.00 N ATOM 2122 CA TYR A 134 -4.595 10.280 3.617 1.00 0.00 C ATOM 2123 C TYR A 134 -5.781 10.988 4.242 1.00 0.00 C ATOM 2124 O TYR A 134 -6.029 10.868 5.422 1.00 0.00 O ATOM 2125 CB TYR A 134 -5.150 9.038 2.944 1.00 0.00 C ATOM 2126 CG TYR A 134 -4.106 8.371 2.105 1.00 0.00 C ATOM 2127 CD1 TYR A 134 -3.073 7.661 2.715 1.00 0.00 C ATOM 2128 CD2 TYR A 134 -4.186 8.443 0.714 1.00 0.00 C ATOM 2129 CE1 TYR A 134 -2.115 7.020 1.935 1.00 0.00 C ATOM 2130 CE2 TYR A 134 -3.228 7.807 -0.072 1.00 0.00 C ATOM 2131 CZ TYR A 134 -2.188 7.091 0.536 1.00 0.00 C ATOM 2132 OH TYR A 134 -1.239 6.457 -0.240 1.00 0.00 O ATOM 0 H TYR A 134 -4.054 9.515 5.523 1.00 0.00 H new ATOM 0 HA TYR A 134 -4.072 10.907 2.895 1.00 0.00 H new ATOM 0 HB2 TYR A 134 -5.513 8.342 3.700 1.00 0.00 H new ATOM 0 HB3 TYR A 134 -6.004 9.308 2.322 1.00 0.00 H new ATOM 0 HD1 TYR A 134 -3.016 7.608 3.792 1.00 0.00 H new ATOM 0 HD2 TYR A 134 -4.990 8.992 0.247 1.00 0.00 H new ATOM 0 HE1 TYR A 134 -1.316 6.468 2.407 1.00 0.00 H new ATOM 0 HE2 TYR A 134 -3.287 7.866 -1.149 1.00 0.00 H new ATOM 0 HH TYR A 134 -1.439 6.606 -1.188 1.00 0.00 H new ATOM 2142 N VAL A 135 -6.546 11.667 3.445 1.00 0.00 N ATOM 2143 CA VAL A 135 -7.761 12.331 3.959 1.00 0.00 C ATOM 2144 C VAL A 135 -8.878 12.026 2.984 1.00 0.00 C ATOM 2145 O VAL A 135 -8.617 11.623 1.875 1.00 0.00 O ATOM 2146 CB VAL A 135 -7.545 13.821 4.053 1.00 0.00 C ATOM 2147 CG1 VAL A 135 -8.782 14.455 4.671 1.00 0.00 C ATOM 2148 CG2 VAL A 135 -6.336 14.082 4.940 1.00 0.00 C ATOM 0 H VAL A 135 -6.377 11.791 2.447 1.00 0.00 H new ATOM 0 HA VAL A 135 -8.006 11.969 4.958 1.00 0.00 H new ATOM 0 HB VAL A 135 -7.372 14.247 3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -8.640 15.533 4.745 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -9.649 14.246 4.045 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -8.944 14.041 5.666 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -6.167 15.156 5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -6.518 13.670 5.933 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -5.457 13.607 4.505 1.00 0.00 H new ATOM 2158 N ARG A 136 -10.107 12.185 3.366 1.00 0.00 N ATOM 2159 CA ARG A 136 -11.188 11.854 2.397 1.00 0.00 C ATOM 2160 C ARG A 136 -11.399 13.025 1.445 1.00 0.00 C ATOM 2161 O ARG A 136 -11.765 14.115 1.839 1.00 0.00 O ATOM 2162 CB ARG A 136 -12.500 11.500 3.099 1.00 0.00 C ATOM 2163 CG ARG A 136 -12.734 9.988 2.999 1.00 0.00 C ATOM 2164 CD ARG A 136 -13.723 9.533 4.075 1.00 0.00 C ATOM 2165 NE ARG A 136 -13.272 10.022 5.408 1.00 0.00 N ATOM 2166 CZ ARG A 136 -14.144 10.239 6.354 1.00 0.00 C ATOM 2167 NH1 ARG A 136 -14.815 11.358 6.379 1.00 0.00 N ATOM 2168 NH2 ARG A 136 -14.345 9.338 7.277 1.00 0.00 N ATOM 0 H ARG A 136 -10.410 12.520 4.281 1.00 0.00 H new ATOM 0 HA ARG A 136 -10.875 10.974 1.835 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -12.461 11.805 4.145 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -13.329 12.039 2.640 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -13.120 9.737 2.011 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -11.789 9.458 3.116 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -14.719 9.917 3.854 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -13.795 8.445 4.081 1.00 0.00 H new ATOM 0 HE ARG A 136 -12.281 10.187 5.581 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -14.658 12.063 5.659 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -15.497 11.527 7.119 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -13.820 8.464 7.259 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -15.027 9.508 8.016 1.00 0.00 H new ATOM 2182 N GLU A 137 -11.156 12.789 0.188 1.00 0.00 N ATOM 2183 CA GLU A 137 -11.315 13.853 -0.845 1.00 0.00 C ATOM 2184 C GLU A 137 -12.726 14.450 -0.779 1.00 0.00 C ATOM 2185 O GLU A 137 -12.922 15.518 -1.336 1.00 0.00 O ATOM 2186 CB GLU A 137 -11.087 13.244 -2.229 1.00 0.00 C ATOM 2187 CG GLU A 137 -10.620 14.332 -3.198 1.00 0.00 C ATOM 2188 CD GLU A 137 -9.981 13.681 -4.426 1.00 0.00 C ATOM 2189 OE1 GLU A 137 -10.483 12.656 -4.856 1.00 0.00 O ATOM 2190 OE2 GLU A 137 -9.002 14.219 -4.915 1.00 0.00 O ATOM 2191 OXT GLU A 137 -13.583 13.828 -0.174 1.00 0.00 O ATOM 0 H GLU A 137 -10.848 11.887 -0.176 1.00 0.00 H new ATOM 0 HA GLU A 137 -10.588 14.644 -0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -10.342 12.451 -2.170 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -12.008 12.789 -2.594 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -11.464 14.952 -3.500 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -9.902 14.988 -2.706 1.00 0.00 H new