USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 711 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 53 ASN : amide:sc= -1.07! K(o=-2.2!,f=-4) USER MOD Set 1.2: A 73 ASN : amide:sc= -1.14! C(o=-2.2!,f=-11!) USER MOD Single : A 3 GLN : amide:sc= -0.567 X(o=-0.57,f=-0.44) USER MOD Single : A 5 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.048) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 179:sc= -2.6 (180deg=-2.73) USER MOD Single : A 13 LYS NZ :NH3+ -122:sc= -1.07 (180deg=-2.61!) USER MOD Single : A 14 HIS : no HD1:sc= -2.16 K(o=-2.2,f=-3!) USER MOD Single : A 15 TYR OH : rot -91:sc= 0.128 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 119:sc= 0.738 USER MOD Single : A 22 HIS : no HD1:sc= -2.08 K(o=-2.1,f=-4.3!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= -0.21 (180deg=-1.08) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.864! C(o=-1.9!,f=-0.86!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.597 X(o=-0.6,f=-0.099) USER MOD Single : A 37 ASN : amide:sc= -0.431 K(o=-0.43,f=-3.8!) USER MOD Single : A 45 ASN : amide:sc= -7.69! C(o=-7.7!,f=-7.6!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.9! C(o=-1.9!,f=-1.6!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-2.6!) USER MOD Single : A 64 SER OG : rot -86:sc= -0.0312! USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.517) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.0723 K(o=-0.072,f=-1.9) USER MOD Single : A 78 GLN : amide:sc= -0.0129 X(o=-0.013,f=-0.013) USER MOD Single : A 83 ASN : amide:sc= -0.574! K(o=-0.57!,f=-1.6) USER MOD Single : A 86 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.155) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -11.281 12.644 -5.372 1.00 0.00 N ATOM 19 CA GLU A 2 -11.233 11.576 -4.378 1.00 0.00 C ATOM 20 C GLU A 2 -10.148 10.563 -4.727 1.00 0.00 C ATOM 21 O GLU A 2 -10.135 9.450 -4.208 1.00 0.00 O ATOM 22 CB GLU A 2 -12.585 10.869 -4.314 1.00 0.00 C ATOM 23 CG GLU A 2 -13.685 11.896 -4.035 1.00 0.00 C ATOM 24 CD GLU A 2 -15.006 11.184 -3.767 1.00 0.00 C ATOM 25 OE1 GLU A 2 -15.336 10.284 -4.520 1.00 0.00 O ATOM 26 OE2 GLU A 2 -15.670 11.552 -2.811 1.00 0.00 O ATOM 0 HA GLU A 2 -11.002 12.018 -3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.783 10.354 -5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.574 10.110 -3.531 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -13.412 12.509 -3.176 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.791 12.568 -4.886 1.00 0.00 H new ATOM 33 N GLN A 3 -9.247 10.960 -5.616 1.00 0.00 N ATOM 34 CA GLN A 3 -8.157 10.092 -6.047 1.00 0.00 C ATOM 35 C GLN A 3 -7.576 9.319 -4.878 1.00 0.00 C ATOM 36 O GLN A 3 -7.908 8.153 -4.666 1.00 0.00 O ATOM 37 CB GLN A 3 -7.060 10.936 -6.697 1.00 0.00 C ATOM 38 CG GLN A 3 -5.992 10.017 -7.293 1.00 0.00 C ATOM 39 CD GLN A 3 -4.992 10.838 -8.101 1.00 0.00 C ATOM 40 OE1 GLN A 3 -5.386 11.625 -8.962 1.00 0.00 O ATOM 41 NE2 GLN A 3 -3.714 10.703 -7.873 1.00 0.00 N ATOM 0 H GLN A 3 -9.249 11.881 -6.055 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.553 9.376 -6.767 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.487 11.568 -7.476 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.612 11.600 -5.958 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.476 9.481 -6.497 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.460 9.267 -7.931 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.389 10.051 -7.159 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.040 11.250 -8.408 1.00 0.00 H new ATOM 50 N PHE A 4 -6.706 9.970 -4.118 1.00 0.00 N ATOM 51 CA PHE A 4 -6.095 9.313 -2.971 1.00 0.00 C ATOM 52 C PHE A 4 -7.179 8.653 -2.134 1.00 0.00 C ATOM 53 O PHE A 4 -7.012 7.527 -1.672 1.00 0.00 O ATOM 54 CB PHE A 4 -5.301 10.312 -2.129 1.00 0.00 C ATOM 55 CG PHE A 4 -6.169 11.508 -1.817 1.00 0.00 C ATOM 56 CD1 PHE A 4 -6.831 11.592 -0.587 1.00 0.00 C ATOM 57 CD2 PHE A 4 -6.310 12.534 -2.759 1.00 0.00 C ATOM 58 CE1 PHE A 4 -7.635 12.701 -0.299 1.00 0.00 C ATOM 59 CE2 PHE A 4 -7.114 13.644 -2.471 1.00 0.00 C ATOM 60 CZ PHE A 4 -7.777 13.728 -1.241 1.00 0.00 C ATOM 0 H PHE A 4 -6.411 10.935 -4.270 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.400 8.553 -3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.967 9.841 -1.205 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.407 10.628 -2.667 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.722 10.801 0.140 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.799 12.470 -3.708 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.146 12.765 0.650 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.222 14.435 -3.198 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.397 14.584 -1.019 1.00 0.00 H new ATOM 70 N ASN A 5 -8.297 9.339 -1.961 1.00 0.00 N ATOM 71 CA ASN A 5 -9.398 8.772 -1.199 1.00 0.00 C ATOM 72 C ASN A 5 -9.860 7.474 -1.863 1.00 0.00 C ATOM 73 O ASN A 5 -10.425 6.597 -1.211 1.00 0.00 O ATOM 74 CB ASN A 5 -10.559 9.776 -1.126 1.00 0.00 C ATOM 75 CG ASN A 5 -10.823 10.182 0.322 1.00 0.00 C ATOM 76 OD1 ASN A 5 -10.941 11.370 0.622 1.00 0.00 O ATOM 77 ND2 ASN A 5 -10.923 9.262 1.241 1.00 0.00 N ATOM 0 H ASN A 5 -8.466 10.274 -2.331 1.00 0.00 H new ATOM 0 HA ASN A 5 -9.063 8.555 -0.185 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.322 10.659 -1.720 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -11.458 9.334 -1.556 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -11.099 9.526 2.210 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.825 8.278 0.990 1.00 0.00 H new ATOM 84 N ALA A 6 -9.614 7.364 -3.171 1.00 0.00 N ATOM 85 CA ALA A 6 -10.009 6.176 -3.921 1.00 0.00 C ATOM 86 C ALA A 6 -9.104 4.991 -3.586 1.00 0.00 C ATOM 87 O ALA A 6 -9.568 3.957 -3.098 1.00 0.00 O ATOM 88 CB ALA A 6 -9.940 6.467 -5.423 1.00 0.00 C ATOM 0 H ALA A 6 -9.146 8.080 -3.727 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.031 5.919 -3.642 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.236 5.578 -5.980 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.614 7.288 -5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.921 6.743 -5.694 1.00 0.00 H new ATOM 94 N PHE A 7 -7.809 5.153 -3.836 1.00 0.00 N ATOM 95 CA PHE A 7 -6.853 4.092 -3.545 1.00 0.00 C ATOM 96 C PHE A 7 -6.838 3.819 -2.045 1.00 0.00 C ATOM 97 O PHE A 7 -6.818 2.668 -1.610 1.00 0.00 O ATOM 98 CB PHE A 7 -5.455 4.495 -4.045 1.00 0.00 C ATOM 99 CG PHE A 7 -4.402 4.138 -3.018 1.00 0.00 C ATOM 100 CD1 PHE A 7 -3.685 5.148 -2.364 1.00 0.00 C ATOM 101 CD2 PHE A 7 -4.145 2.794 -2.721 1.00 0.00 C ATOM 102 CE1 PHE A 7 -2.711 4.814 -1.416 1.00 0.00 C ATOM 103 CE2 PHE A 7 -3.171 2.460 -1.772 1.00 0.00 C ATOM 104 CZ PHE A 7 -2.454 3.471 -1.120 1.00 0.00 C ATOM 0 H PHE A 7 -7.401 5.999 -4.235 1.00 0.00 H new ATOM 0 HA PHE A 7 -7.149 3.179 -4.062 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.239 3.990 -4.986 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.428 5.566 -4.245 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.884 6.185 -2.591 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.698 2.015 -3.224 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.158 5.593 -0.913 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.973 1.423 -1.543 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.702 3.214 -0.388 1.00 0.00 H new ATOM 114 N LYS A 8 -6.860 4.891 -1.262 1.00 0.00 N ATOM 115 CA LYS A 8 -6.863 4.775 0.189 1.00 0.00 C ATOM 116 C LYS A 8 -8.073 3.982 0.666 1.00 0.00 C ATOM 117 O LYS A 8 -7.940 3.016 1.423 1.00 0.00 O ATOM 118 CB LYS A 8 -6.893 6.166 0.824 1.00 0.00 C ATOM 119 CG LYS A 8 -6.542 6.048 2.309 1.00 0.00 C ATOM 120 CD LYS A 8 -6.668 7.420 2.981 1.00 0.00 C ATOM 121 CE LYS A 8 -5.737 8.424 2.295 1.00 0.00 C ATOM 122 NZ LYS A 8 -5.395 9.515 3.251 1.00 0.00 N ATOM 0 H LYS A 8 -6.876 5.850 -1.609 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.955 4.251 0.489 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.184 6.824 0.321 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.881 6.612 0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.206 5.333 2.794 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.527 5.668 2.423 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.699 7.769 2.924 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.416 7.341 4.039 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.829 7.923 1.958 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.220 8.839 1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.763 10.198 2.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.265 9.998 3.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.918 9.111 4.082 1.00 0.00 H new ATOM 136 N SER A 9 -9.263 4.390 0.236 1.00 0.00 N ATOM 137 CA SER A 9 -10.459 3.685 0.661 1.00 0.00 C ATOM 138 C SER A 9 -10.301 2.207 0.341 1.00 0.00 C ATOM 139 O SER A 9 -10.856 1.347 1.024 1.00 0.00 O ATOM 140 CB SER A 9 -11.706 4.251 -0.017 1.00 0.00 C ATOM 141 OG SER A 9 -12.857 3.584 0.485 1.00 0.00 O ATOM 0 H SER A 9 -9.420 5.182 -0.388 1.00 0.00 H new ATOM 0 HA SER A 9 -10.586 3.817 1.736 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.781 5.322 0.170 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.638 4.120 -1.097 1.00 0.00 H new ATOM 0 HG SER A 9 -13.659 3.946 0.053 1.00 0.00 H new ATOM 147 N LEU A 10 -9.509 1.915 -0.690 1.00 0.00 N ATOM 148 CA LEU A 10 -9.255 0.534 -1.070 1.00 0.00 C ATOM 149 C LEU A 10 -8.580 -0.188 0.093 1.00 0.00 C ATOM 150 O LEU A 10 -8.916 -1.328 0.409 1.00 0.00 O ATOM 151 CB LEU A 10 -8.351 0.484 -2.311 1.00 0.00 C ATOM 152 CG LEU A 10 -8.699 -0.737 -3.175 1.00 0.00 C ATOM 153 CD1 LEU A 10 -7.675 -0.877 -4.311 1.00 0.00 C ATOM 154 CD2 LEU A 10 -8.679 -2.003 -2.310 1.00 0.00 C ATOM 0 H LEU A 10 -9.039 2.611 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.199 0.044 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.472 1.397 -2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.306 0.436 -2.006 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.694 -0.603 -3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.925 -1.744 -4.922 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.693 0.020 -4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.678 -1.006 -3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.926 -2.868 -2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.686 -2.135 -1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.411 -1.907 -1.508 1.00 0.00 H new ATOM 166 N LEU A 11 -7.635 0.495 0.741 1.00 0.00 N ATOM 167 CA LEU A 11 -6.939 -0.094 1.879 1.00 0.00 C ATOM 168 C LEU A 11 -7.956 -0.494 2.938 1.00 0.00 C ATOM 169 O LEU A 11 -7.887 -1.591 3.487 1.00 0.00 O ATOM 170 CB LEU A 11 -5.927 0.895 2.476 1.00 0.00 C ATOM 171 CG LEU A 11 -4.594 0.812 1.719 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.864 2.157 1.819 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.723 -0.289 2.335 1.00 0.00 C ATOM 0 H LEU A 11 -7.340 1.441 0.500 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.394 -0.974 1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.323 1.909 2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.769 0.672 3.531 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.786 0.580 0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.918 2.098 1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.482 2.940 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.673 2.390 2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.777 -0.348 1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.531 -0.058 3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.241 -1.245 2.263 1.00 0.00 H new ATOM 185 N LYS A 12 -8.912 0.395 3.211 1.00 0.00 N ATOM 186 CA LYS A 12 -9.945 0.095 4.202 1.00 0.00 C ATOM 187 C LYS A 12 -10.355 -1.372 4.089 1.00 0.00 C ATOM 188 O LYS A 12 -10.257 -2.135 5.051 1.00 0.00 O ATOM 189 CB LYS A 12 -11.167 0.988 3.980 1.00 0.00 C ATOM 190 CG LYS A 12 -12.118 0.861 5.174 1.00 0.00 C ATOM 191 CD LYS A 12 -13.235 1.911 5.065 1.00 0.00 C ATOM 192 CE LYS A 12 -12.850 3.165 5.858 1.00 0.00 C ATOM 193 NZ LYS A 12 -11.397 3.445 5.678 1.00 0.00 N ATOM 0 H LYS A 12 -8.993 1.311 2.770 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.544 0.285 5.198 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.855 2.025 3.859 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.679 0.700 3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.549 -0.140 5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.568 0.998 6.105 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.403 2.169 4.019 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.170 1.501 5.447 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.439 4.017 5.519 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.075 3.022 6.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.142 4.306 6.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.842 2.643 6.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.193 3.582 4.668 1.00 0.00 H new ATOM 207 N LYS A 13 -10.783 -1.761 2.893 1.00 0.00 N ATOM 208 CA LYS A 13 -11.175 -3.142 2.635 1.00 0.00 C ATOM 209 C LYS A 13 -10.055 -4.086 3.065 1.00 0.00 C ATOM 210 O LYS A 13 -10.299 -5.134 3.662 1.00 0.00 O ATOM 211 CB LYS A 13 -11.447 -3.321 1.136 1.00 0.00 C ATOM 212 CG LYS A 13 -12.865 -2.837 0.791 1.00 0.00 C ATOM 213 CD LYS A 13 -13.927 -3.819 1.314 1.00 0.00 C ATOM 214 CE LYS A 13 -13.677 -5.226 0.759 1.00 0.00 C ATOM 215 NZ LYS A 13 -12.820 -5.993 1.707 1.00 0.00 N ATOM 0 H LYS A 13 -10.867 -1.141 2.088 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.077 -3.373 3.202 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.713 -2.761 0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.336 -4.370 0.862 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.032 -1.851 1.225 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.964 -2.731 -0.289 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.904 -3.842 2.404 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.921 -3.478 1.023 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.625 -5.743 0.610 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.192 -5.163 -0.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.957 -6.307 1.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.561 -5.385 2.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.343 -6.822 2.054 1.00 0.00 H new ATOM 229 N HIS A 14 -8.827 -3.692 2.753 1.00 0.00 N ATOM 230 CA HIS A 14 -7.652 -4.484 3.099 1.00 0.00 C ATOM 231 C HIS A 14 -7.436 -4.528 4.609 1.00 0.00 C ATOM 232 O HIS A 14 -7.569 -5.578 5.237 1.00 0.00 O ATOM 233 CB HIS A 14 -6.413 -3.867 2.444 1.00 0.00 C ATOM 234 CG HIS A 14 -5.317 -4.896 2.375 1.00 0.00 C ATOM 235 ND1 HIS A 14 -5.460 -6.078 1.665 1.00 0.00 N ATOM 236 CD2 HIS A 14 -4.056 -4.933 2.916 1.00 0.00 C ATOM 237 CE1 HIS A 14 -4.313 -6.769 1.795 1.00 0.00 C ATOM 238 NE2 HIS A 14 -3.423 -6.117 2.547 1.00 0.00 N ATOM 0 H HIS A 14 -8.618 -2.825 2.259 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.813 -5.500 2.739 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.657 -3.512 1.443 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -6.079 -3.002 3.016 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.621 -4.161 3.534 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -4.134 -7.734 1.345 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.482 -6.421 2.797 1.00 0.00 H new ATOM 247 N TYR A 15 -7.082 -3.380 5.176 1.00 0.00 N ATOM 248 CA TYR A 15 -6.823 -3.280 6.605 1.00 0.00 C ATOM 249 C TYR A 15 -8.120 -3.333 7.407 1.00 0.00 C ATOM 250 O TYR A 15 -8.161 -2.902 8.560 1.00 0.00 O ATOM 251 CB TYR A 15 -6.087 -1.962 6.895 1.00 0.00 C ATOM 252 CG TYR A 15 -4.603 -2.218 7.029 1.00 0.00 C ATOM 253 CD1 TYR A 15 -4.132 -3.038 8.061 1.00 0.00 C ATOM 254 CD2 TYR A 15 -3.700 -1.638 6.129 1.00 0.00 C ATOM 255 CE1 TYR A 15 -2.761 -3.279 8.194 1.00 0.00 C ATOM 256 CE2 TYR A 15 -2.328 -1.880 6.262 1.00 0.00 C ATOM 257 CZ TYR A 15 -1.858 -2.699 7.295 1.00 0.00 C ATOM 258 OH TYR A 15 -0.504 -2.938 7.426 1.00 0.00 O ATOM 0 H TYR A 15 -6.968 -2.504 4.665 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.206 -4.127 6.905 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.270 -1.249 6.091 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.472 -1.515 7.812 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.828 -3.485 8.755 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.062 -1.004 5.333 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.399 -3.912 8.990 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.632 -1.435 5.567 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.103 -2.247 7.994 1.00 0.00 H new ATOM 268 N GLU A 16 -9.176 -3.865 6.804 1.00 0.00 N ATOM 269 CA GLU A 16 -10.455 -3.961 7.496 1.00 0.00 C ATOM 270 C GLU A 16 -10.296 -4.742 8.797 1.00 0.00 C ATOM 271 O GLU A 16 -11.092 -4.592 9.725 1.00 0.00 O ATOM 272 CB GLU A 16 -11.490 -4.647 6.598 1.00 0.00 C ATOM 273 CG GLU A 16 -11.058 -6.092 6.310 1.00 0.00 C ATOM 274 CD GLU A 16 -11.690 -7.044 7.321 1.00 0.00 C ATOM 275 OE1 GLU A 16 -12.091 -6.578 8.375 1.00 0.00 O ATOM 276 OE2 GLU A 16 -11.763 -8.226 7.027 1.00 0.00 O ATOM 0 H GLU A 16 -9.174 -4.231 5.852 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.800 -2.954 7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.466 -4.640 7.083 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.595 -4.097 5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.355 -6.373 5.300 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.972 -6.170 6.356 1.00 0.00 H new ATOM 283 N LYS A 17 -9.256 -5.571 8.861 1.00 0.00 N ATOM 284 CA LYS A 17 -8.993 -6.367 10.056 1.00 0.00 C ATOM 285 C LYS A 17 -8.149 -5.568 11.045 1.00 0.00 C ATOM 286 O LYS A 17 -8.611 -5.218 12.132 1.00 0.00 O ATOM 287 CB LYS A 17 -8.256 -7.659 9.677 1.00 0.00 C ATOM 288 CG LYS A 17 -9.270 -8.750 9.317 1.00 0.00 C ATOM 289 CD LYS A 17 -8.533 -10.044 8.947 1.00 0.00 C ATOM 290 CE LYS A 17 -8.146 -10.013 7.465 1.00 0.00 C ATOM 291 NZ LYS A 17 -7.475 -11.294 7.101 1.00 0.00 N ATOM 0 H LYS A 17 -8.586 -5.708 8.104 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.945 -6.621 10.522 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.591 -7.475 8.833 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.632 -7.989 10.508 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.939 -8.930 10.159 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.889 -8.422 8.482 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.641 -10.155 9.563 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.169 -10.906 9.149 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.033 -9.867 6.849 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.480 -9.173 7.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.212 -11.274 6.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.620 -11.415 7.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.125 -12.087 7.273 1.00 0.00 H new ATOM 305 N THR A 18 -6.909 -5.282 10.660 1.00 0.00 N ATOM 306 CA THR A 18 -6.005 -4.524 11.519 1.00 0.00 C ATOM 307 C THR A 18 -6.317 -3.029 11.431 1.00 0.00 C ATOM 308 O THR A 18 -5.413 -2.194 11.416 1.00 0.00 O ATOM 309 CB THR A 18 -4.547 -4.791 11.100 1.00 0.00 C ATOM 310 OG1 THR A 18 -4.538 -5.605 9.936 1.00 0.00 O ATOM 311 CG2 THR A 18 -3.803 -5.512 12.228 1.00 0.00 C ATOM 0 H THR A 18 -6.509 -5.562 9.764 1.00 0.00 H new ATOM 0 HA THR A 18 -6.143 -4.844 12.552 1.00 0.00 H new ATOM 0 HB THR A 18 -4.052 -3.842 10.894 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.097 -5.125 9.204 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.773 -5.697 11.924 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.811 -4.891 13.124 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.295 -6.461 12.440 1.00 0.00 H new ATOM 319 N ILE A 19 -7.604 -2.696 11.378 1.00 0.00 N ATOM 320 CA ILE A 19 -8.016 -1.298 11.293 1.00 0.00 C ATOM 321 C ILE A 19 -7.164 -0.432 12.217 1.00 0.00 C ATOM 322 O ILE A 19 -6.410 0.419 11.750 1.00 0.00 O ATOM 323 CB ILE A 19 -9.499 -1.158 11.659 1.00 0.00 C ATOM 324 CG1 ILE A 19 -9.885 0.324 11.647 1.00 0.00 C ATOM 325 CG2 ILE A 19 -9.759 -1.748 13.053 1.00 0.00 C ATOM 326 CD1 ILE A 19 -11.409 0.458 11.650 1.00 0.00 C ATOM 0 H ILE A 19 -8.372 -3.367 11.392 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.872 -0.958 10.267 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.101 -1.701 10.930 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.464 0.827 12.518 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -9.469 0.811 10.765 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.815 -1.643 13.301 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.489 -2.804 13.057 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.158 -1.217 13.791 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.681 1.513 11.641 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.819 -0.030 10.766 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.814 -0.014 12.545 1.00 0.00 H new ATOM 338 N GLY A 20 -7.291 -0.649 13.528 1.00 0.00 N ATOM 339 CA GLY A 20 -6.527 0.123 14.508 1.00 0.00 C ATOM 340 C GLY A 20 -5.212 0.623 13.918 1.00 0.00 C ATOM 341 O GLY A 20 -4.943 1.824 13.908 1.00 0.00 O ATOM 0 H GLY A 20 -7.912 -1.349 13.933 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.121 0.971 14.848 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.324 -0.495 15.382 1.00 0.00 H new ATOM 345 N PHE A 21 -4.400 -0.304 13.415 1.00 0.00 N ATOM 346 CA PHE A 21 -3.122 0.064 12.815 1.00 0.00 C ATOM 347 C PHE A 21 -3.297 1.302 11.944 1.00 0.00 C ATOM 348 O PHE A 21 -2.527 2.258 12.040 1.00 0.00 O ATOM 349 CB PHE A 21 -2.588 -1.094 11.968 1.00 0.00 C ATOM 350 CG PHE A 21 -1.238 -0.726 11.396 1.00 0.00 C ATOM 351 CD1 PHE A 21 -1.091 -0.521 10.019 1.00 0.00 C ATOM 352 CD2 PHE A 21 -0.132 -0.595 12.245 1.00 0.00 C ATOM 353 CE1 PHE A 21 0.161 -0.183 9.491 1.00 0.00 C ATOM 354 CE2 PHE A 21 1.120 -0.257 11.717 1.00 0.00 C ATOM 355 CZ PHE A 21 1.266 -0.052 10.340 1.00 0.00 C ATOM 0 H PHE A 21 -4.602 -1.304 13.411 1.00 0.00 H new ATOM 0 HA PHE A 21 -2.408 0.282 13.609 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.503 -1.994 12.577 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.286 -1.320 11.162 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.943 -0.624 9.364 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.245 -0.755 13.307 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.274 -0.023 8.429 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.973 -0.155 12.372 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.232 0.207 9.932 1.00 0.00 H new ATOM 365 N HIS A 22 -4.323 1.277 11.100 1.00 0.00 N ATOM 366 CA HIS A 22 -4.608 2.401 10.218 1.00 0.00 C ATOM 367 C HIS A 22 -4.946 3.646 11.034 1.00 0.00 C ATOM 368 O HIS A 22 -4.390 4.716 10.783 1.00 0.00 O ATOM 369 CB HIS A 22 -5.759 2.054 9.269 1.00 0.00 C ATOM 370 CG HIS A 22 -5.794 3.032 8.126 1.00 0.00 C ATOM 371 ND1 HIS A 22 -5.913 4.399 8.324 1.00 0.00 N ATOM 372 CD2 HIS A 22 -5.730 2.854 6.766 1.00 0.00 C ATOM 373 CE1 HIS A 22 -5.919 4.984 7.113 1.00 0.00 C ATOM 374 NE2 HIS A 22 -5.809 4.089 6.129 1.00 0.00 N ATOM 0 H HIS A 22 -4.969 0.493 11.009 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.719 2.610 9.623 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.634 1.040 8.888 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.706 2.078 9.808 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.633 1.901 6.267 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.003 6.049 6.956 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -5.787 4.271 5.126 1.00 0.00 H new ATOM 383 N ASP A 23 -5.825 3.521 12.018 1.00 0.00 N ATOM 384 CA ASP A 23 -6.164 4.673 12.847 1.00 0.00 C ATOM 385 C ASP A 23 -4.940 5.093 13.657 1.00 0.00 C ATOM 386 O ASP A 23 -4.997 6.018 14.468 1.00 0.00 O ATOM 387 CB ASP A 23 -7.320 4.323 13.791 1.00 0.00 C ATOM 388 CG ASP A 23 -8.003 5.597 14.278 1.00 0.00 C ATOM 389 OD1 ASP A 23 -9.210 5.697 14.122 1.00 0.00 O ATOM 390 OD2 ASP A 23 -7.310 6.455 14.800 1.00 0.00 O ATOM 0 H ASP A 23 -6.308 2.656 12.260 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.475 5.497 12.205 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.041 3.689 13.276 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.945 3.754 14.642 1.00 0.00 H new ATOM 395 N LYS A 24 -3.836 4.386 13.428 1.00 0.00 N ATOM 396 CA LYS A 24 -2.585 4.652 14.130 1.00 0.00 C ATOM 397 C LYS A 24 -1.634 5.511 13.295 1.00 0.00 C ATOM 398 O LYS A 24 -1.193 6.565 13.755 1.00 0.00 O ATOM 399 CB LYS A 24 -1.907 3.320 14.489 1.00 0.00 C ATOM 400 CG LYS A 24 -1.376 3.370 15.927 1.00 0.00 C ATOM 401 CD LYS A 24 -2.530 3.159 16.917 1.00 0.00 C ATOM 402 CE LYS A 24 -2.745 1.660 17.158 1.00 0.00 C ATOM 403 NZ LYS A 24 -4.134 1.435 17.650 1.00 0.00 N ATOM 0 H LYS A 24 -3.784 3.620 12.757 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.820 5.209 15.037 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.618 2.501 14.384 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.088 3.122 13.797 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.617 2.601 16.071 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.896 4.331 16.114 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.308 3.659 17.860 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.443 3.608 16.525 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.579 1.104 16.235 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.024 1.290 17.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.284 0.419 17.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.276 1.955 18.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.813 1.774 16.939 1.00 0.00 H new ATOM 417 N TYR A 25 -1.296 5.067 12.083 1.00 0.00 N ATOM 418 CA TYR A 25 -0.370 5.837 11.244 1.00 0.00 C ATOM 419 C TYR A 25 -0.943 6.106 9.855 1.00 0.00 C ATOM 420 O TYR A 25 -1.113 7.262 9.465 1.00 0.00 O ATOM 421 CB TYR A 25 0.959 5.092 11.114 1.00 0.00 C ATOM 422 CG TYR A 25 1.449 4.697 12.486 1.00 0.00 C ATOM 423 CD1 TYR A 25 1.468 3.348 12.864 1.00 0.00 C ATOM 424 CD2 TYR A 25 1.883 5.680 13.383 1.00 0.00 C ATOM 425 CE1 TYR A 25 1.922 2.985 14.137 1.00 0.00 C ATOM 426 CE2 TYR A 25 2.338 5.316 14.655 1.00 0.00 C ATOM 427 CZ TYR A 25 2.356 3.968 15.033 1.00 0.00 C ATOM 428 OH TYR A 25 2.804 3.609 16.288 1.00 0.00 O ATOM 0 H TYR A 25 -1.638 4.201 11.666 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.212 6.799 11.731 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.832 4.206 10.492 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.697 5.725 10.621 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.132 2.589 12.173 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.867 6.720 13.093 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.937 1.945 14.428 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.675 6.075 15.345 1.00 0.00 H new ATOM 0 HH TYR A 25 3.069 4.412 16.783 1.00 0.00 H new ATOM 438 N ILE A 26 -1.223 5.045 9.104 1.00 0.00 N ATOM 439 CA ILE A 26 -1.761 5.199 7.753 1.00 0.00 C ATOM 440 C ILE A 26 -2.755 6.356 7.692 1.00 0.00 C ATOM 441 O ILE A 26 -2.994 6.926 6.628 1.00 0.00 O ATOM 442 CB ILE A 26 -2.450 3.909 7.305 1.00 0.00 C ATOM 443 CG1 ILE A 26 -1.592 2.701 7.702 1.00 0.00 C ATOM 444 CG2 ILE A 26 -2.633 3.926 5.787 1.00 0.00 C ATOM 445 CD1 ILE A 26 -0.152 2.910 7.228 1.00 0.00 C ATOM 0 H ILE A 26 -1.089 4.079 9.402 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.929 5.415 7.083 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.424 3.836 7.788 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.613 2.568 8.784 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.001 1.792 7.261 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.124 3.006 5.469 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.247 4.781 5.504 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.659 4.003 5.304 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.453 2.049 7.512 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.138 3.021 6.144 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.256 3.809 7.690 1.00 0.00 H new ATOM 457 N LYS A 27 -3.327 6.700 8.843 1.00 0.00 N ATOM 458 CA LYS A 27 -4.289 7.796 8.910 1.00 0.00 C ATOM 459 C LYS A 27 -3.565 9.137 8.990 1.00 0.00 C ATOM 460 O LYS A 27 -3.765 10.012 8.147 1.00 0.00 O ATOM 461 CB LYS A 27 -5.188 7.626 10.138 1.00 0.00 C ATOM 462 CG LYS A 27 -6.335 8.640 10.080 1.00 0.00 C ATOM 463 CD LYS A 27 -7.050 8.680 11.432 1.00 0.00 C ATOM 464 CE LYS A 27 -8.153 9.741 11.395 1.00 0.00 C ATOM 465 NZ LYS A 27 -7.577 11.039 10.944 1.00 0.00 N ATOM 0 H LYS A 27 -3.143 6.240 9.735 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.899 7.777 8.007 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.587 6.612 10.172 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.607 7.770 11.049 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.948 9.628 9.832 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.038 8.366 9.293 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.478 7.703 11.658 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.338 8.908 12.225 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.950 9.430 10.719 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.599 9.852 12.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.229 11.812 11.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.663 11.196 11.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.436 11.017 9.914 1.00 0.00 H new ATOM 479 N ASP A 28 -2.727 9.289 10.009 1.00 0.00 N ATOM 480 CA ASP A 28 -1.980 10.528 10.193 1.00 0.00 C ATOM 481 C ASP A 28 -0.890 10.664 9.134 1.00 0.00 C ATOM 482 O ASP A 28 0.243 10.230 9.335 1.00 0.00 O ATOM 483 CB ASP A 28 -1.345 10.554 11.585 1.00 0.00 C ATOM 484 CG ASP A 28 -0.543 11.838 11.767 1.00 0.00 C ATOM 485 OD1 ASP A 28 -1.005 12.871 11.311 1.00 0.00 O ATOM 486 OD2 ASP A 28 0.522 11.769 12.357 1.00 0.00 O ATOM 0 H ASP A 28 -2.548 8.576 10.716 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.673 11.363 10.093 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -2.120 10.488 12.349 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.696 9.688 11.714 1.00 0.00 H new ATOM 491 N ILE A 29 -1.244 11.274 8.008 1.00 0.00 N ATOM 492 CA ILE A 29 -0.289 11.468 6.922 1.00 0.00 C ATOM 493 C ILE A 29 -0.748 12.609 6.017 1.00 0.00 C ATOM 494 O ILE A 29 -1.918 12.992 6.035 1.00 0.00 O ATOM 495 CB ILE A 29 -0.141 10.171 6.113 1.00 0.00 C ATOM 496 CG1 ILE A 29 1.265 10.102 5.498 1.00 0.00 C ATOM 497 CG2 ILE A 29 -1.187 10.131 4.994 1.00 0.00 C ATOM 498 CD1 ILE A 29 2.277 9.635 6.553 1.00 0.00 C ATOM 0 H ILE A 29 -2.178 11.640 7.824 1.00 0.00 H new ATOM 0 HA ILE A 29 0.681 11.728 7.346 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.291 9.320 6.777 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.267 9.416 4.651 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.552 11.081 5.115 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.076 9.208 4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.186 10.171 5.428 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.044 10.985 4.332 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.271 9.589 6.108 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.284 10.338 7.386 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.995 8.646 6.915 1.00 0.00 H new ATOM 510 N ASN A 30 0.175 13.150 5.229 1.00 0.00 N ATOM 511 CA ASN A 30 -0.163 14.247 4.331 1.00 0.00 C ATOM 512 C ASN A 30 0.932 14.472 3.291 1.00 0.00 C ATOM 513 O ASN A 30 1.011 15.542 2.689 1.00 0.00 O ATOM 514 CB ASN A 30 -0.367 15.530 5.141 1.00 0.00 C ATOM 515 CG ASN A 30 -1.108 16.568 4.304 1.00 0.00 C ATOM 516 OD1 ASN A 30 -2.366 16.813 4.547 1.00 0.00 O flip ATOM 517 ND2 ASN A 30 -0.523 17.175 3.406 1.00 0.00 N flip ATOM 0 H ASN A 30 1.150 12.852 5.194 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.083 13.985 3.808 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.933 15.311 6.047 1.00 0.00 H new ATOM 0 HB3 ASN A 30 0.598 15.927 5.456 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.461 16.982 3.217 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.022 17.870 2.851 1.00 0.00 H new ATOM 524 N ARG A 31 1.779 13.466 3.081 1.00 0.00 N ATOM 525 CA ARG A 31 2.861 13.593 2.106 1.00 0.00 C ATOM 526 C ARG A 31 3.030 12.309 1.296 1.00 0.00 C ATOM 527 O ARG A 31 3.496 11.288 1.804 1.00 0.00 O ATOM 528 CB ARG A 31 4.172 13.939 2.815 1.00 0.00 C ATOM 529 CG ARG A 31 5.169 14.531 1.809 1.00 0.00 C ATOM 530 CD ARG A 31 4.947 16.043 1.683 1.00 0.00 C ATOM 531 NE ARG A 31 5.504 16.530 0.427 1.00 0.00 N ATOM 532 CZ ARG A 31 5.303 17.782 0.025 1.00 0.00 C ATOM 533 NH1 ARG A 31 4.591 18.596 0.756 1.00 0.00 N ATOM 534 NH2 ARG A 31 5.816 18.197 -1.101 1.00 0.00 N ATOM 0 H ARG A 31 1.740 12.568 3.564 1.00 0.00 H new ATOM 0 HA ARG A 31 2.600 14.397 1.418 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.984 14.653 3.617 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.594 13.045 3.275 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.190 14.330 2.134 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.045 14.054 0.837 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.881 16.266 1.728 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.416 16.558 2.521 1.00 0.00 H new ATOM 0 HE ARG A 31 6.057 15.900 -0.154 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.189 18.272 1.636 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.437 19.556 0.448 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.371 17.561 -1.673 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.661 19.157 -1.409 1.00 0.00 H new ATOM 548 N PHE A 32 2.644 12.387 0.028 1.00 0.00 N ATOM 549 CA PHE A 32 2.736 11.257 -0.891 1.00 0.00 C ATOM 550 C PHE A 32 2.783 11.782 -2.321 1.00 0.00 C ATOM 551 O PHE A 32 2.065 12.723 -2.661 1.00 0.00 O ATOM 552 CB PHE A 32 1.522 10.341 -0.719 1.00 0.00 C ATOM 553 CG PHE A 32 0.258 11.128 -0.976 1.00 0.00 C ATOM 554 CD1 PHE A 32 -0.495 10.887 -2.130 1.00 0.00 C ATOM 555 CD2 PHE A 32 -0.160 12.100 -0.057 1.00 0.00 C ATOM 556 CE1 PHE A 32 -1.666 11.616 -2.369 1.00 0.00 C ATOM 557 CE2 PHE A 32 -1.332 12.829 -0.296 1.00 0.00 C ATOM 558 CZ PHE A 32 -2.084 12.588 -1.452 1.00 0.00 C ATOM 0 H PHE A 32 2.259 13.233 -0.392 1.00 0.00 H new ATOM 0 HA PHE A 32 3.640 10.687 -0.676 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.587 9.500 -1.410 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.506 9.926 0.289 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.173 10.137 -2.838 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.421 12.287 0.834 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.247 11.429 -3.260 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.656 13.578 0.412 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.986 13.152 -1.636 1.00 0.00 H new ATOM 568 N VAL A 33 3.637 11.195 -3.158 1.00 0.00 N ATOM 569 CA VAL A 33 3.752 11.662 -4.538 1.00 0.00 C ATOM 570 C VAL A 33 4.047 10.523 -5.513 1.00 0.00 C ATOM 571 O VAL A 33 4.645 9.505 -5.149 1.00 0.00 O ATOM 572 CB VAL A 33 4.868 12.703 -4.635 1.00 0.00 C ATOM 573 CG1 VAL A 33 4.511 13.918 -3.779 1.00 0.00 C ATOM 574 CG2 VAL A 33 6.178 12.092 -4.132 1.00 0.00 C ATOM 0 H VAL A 33 4.246 10.414 -2.913 1.00 0.00 H new ATOM 0 HA VAL A 33 2.792 12.099 -4.814 1.00 0.00 H new ATOM 0 HB VAL A 33 4.985 13.014 -5.673 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.307 14.659 -3.849 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.578 14.353 -4.136 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.393 13.609 -2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.975 12.833 -4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.060 11.781 -3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.434 11.226 -4.743 1.00 0.00 H new ATOM 584 N PHE A 34 3.630 10.730 -6.763 1.00 0.00 N ATOM 585 CA PHE A 34 3.847 9.758 -7.831 1.00 0.00 C ATOM 586 C PHE A 34 4.277 10.489 -9.104 1.00 0.00 C ATOM 587 O PHE A 34 3.834 11.608 -9.361 1.00 0.00 O ATOM 588 CB PHE A 34 2.563 8.961 -8.103 1.00 0.00 C ATOM 589 CG PHE A 34 1.354 9.791 -7.735 1.00 0.00 C ATOM 590 CD1 PHE A 34 1.030 9.999 -6.389 1.00 0.00 C ATOM 591 CD2 PHE A 34 0.558 10.351 -8.741 1.00 0.00 C ATOM 592 CE1 PHE A 34 -0.089 10.768 -6.050 1.00 0.00 C ATOM 593 CE2 PHE A 34 -0.561 11.119 -8.401 1.00 0.00 C ATOM 594 CZ PHE A 34 -0.885 11.328 -7.056 1.00 0.00 C ATOM 0 H PHE A 34 3.136 11.571 -7.061 1.00 0.00 H new ATOM 0 HA PHE A 34 4.629 9.064 -7.522 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.515 8.680 -9.155 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.569 8.036 -7.526 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.643 9.566 -5.613 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.808 10.190 -9.779 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.339 10.929 -5.012 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.175 11.551 -9.177 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.749 11.921 -6.794 1.00 0.00 H new ATOM 604 N LYS A 35 5.140 9.857 -9.893 1.00 0.00 N ATOM 605 CA LYS A 35 5.615 10.475 -11.129 1.00 0.00 C ATOM 606 C LYS A 35 6.521 9.522 -11.902 1.00 0.00 C ATOM 607 O LYS A 35 6.710 9.676 -13.109 1.00 0.00 O ATOM 608 CB LYS A 35 6.388 11.758 -10.805 1.00 0.00 C ATOM 609 CG LYS A 35 7.499 11.457 -9.783 1.00 0.00 C ATOM 610 CD LYS A 35 7.473 12.495 -8.656 1.00 0.00 C ATOM 611 CE LYS A 35 8.429 12.063 -7.542 1.00 0.00 C ATOM 612 NZ LYS A 35 8.650 13.203 -6.608 1.00 0.00 N ATOM 0 H LYS A 35 5.521 8.930 -9.704 1.00 0.00 H new ATOM 0 HA LYS A 35 4.748 10.711 -11.746 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.822 12.171 -11.716 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.709 12.511 -10.405 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.363 10.457 -9.370 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.471 11.469 -10.277 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.764 13.472 -9.041 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.461 12.595 -8.263 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.014 11.212 -7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.378 11.739 -7.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.300 12.910 -5.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.063 14.003 -7.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.742 13.492 -6.192 1.00 0.00 H new ATOM 626 N ASN A 36 7.079 8.539 -11.200 1.00 0.00 N ATOM 627 CA ASN A 36 7.968 7.566 -11.830 1.00 0.00 C ATOM 628 C ASN A 36 7.401 6.159 -11.682 1.00 0.00 C ATOM 629 O ASN A 36 8.122 5.219 -11.350 1.00 0.00 O ATOM 630 CB ASN A 36 9.352 7.629 -11.180 1.00 0.00 C ATOM 631 CG ASN A 36 10.089 8.880 -11.645 1.00 0.00 C ATOM 632 OD1 ASN A 36 10.513 8.959 -12.797 1.00 0.00 O ATOM 633 ND2 ASN A 36 10.269 9.868 -10.811 1.00 0.00 N ATOM 0 H ASN A 36 6.933 8.395 -10.201 1.00 0.00 H new ATOM 0 HA ASN A 36 8.053 7.806 -12.890 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.253 7.637 -10.095 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.926 6.740 -11.441 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.762 10.708 -11.114 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.916 9.800 -9.856 1.00 0.00 H new ATOM 640 N ASN A 37 6.102 6.024 -11.930 1.00 0.00 N ATOM 641 CA ASN A 37 5.444 4.730 -11.819 1.00 0.00 C ATOM 642 C ASN A 37 5.613 4.167 -10.412 1.00 0.00 C ATOM 643 O ASN A 37 5.191 3.048 -10.126 1.00 0.00 O ATOM 644 CB ASN A 37 6.034 3.752 -12.838 1.00 0.00 C ATOM 645 CG ASN A 37 6.065 4.394 -14.222 1.00 0.00 C ATOM 646 OD1 ASN A 37 6.848 5.312 -14.464 1.00 0.00 O ATOM 647 ND2 ASN A 37 5.256 3.961 -15.150 1.00 0.00 N ATOM 0 H ASN A 37 5.489 6.790 -12.207 1.00 0.00 H new ATOM 0 HA ASN A 37 4.381 4.864 -12.022 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.042 3.466 -12.538 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.439 2.839 -12.865 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.272 4.384 -16.078 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.608 3.200 -14.947 1.00 0.00 H new ATOM 654 N VAL A 38 6.225 4.957 -9.533 1.00 0.00 N ATOM 655 CA VAL A 38 6.440 4.535 -8.151 1.00 0.00 C ATOM 656 C VAL A 38 5.738 5.494 -7.196 1.00 0.00 C ATOM 657 O VAL A 38 5.489 6.650 -7.540 1.00 0.00 O ATOM 658 CB VAL A 38 7.939 4.504 -7.841 1.00 0.00 C ATOM 659 CG1 VAL A 38 8.148 4.243 -6.347 1.00 0.00 C ATOM 660 CG2 VAL A 38 8.607 3.387 -8.649 1.00 0.00 C ATOM 0 H VAL A 38 6.579 5.888 -9.751 1.00 0.00 H new ATOM 0 HA VAL A 38 6.026 3.535 -8.021 1.00 0.00 H new ATOM 0 HB VAL A 38 8.382 5.463 -8.109 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.215 4.221 -6.127 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.675 5.037 -5.769 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.703 3.285 -6.079 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.674 3.366 -8.428 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.162 2.429 -8.382 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.461 3.571 -9.713 1.00 0.00 H new ATOM 670 N LEU A 39 5.420 5.010 -5.998 1.00 0.00 N ATOM 671 CA LEU A 39 4.741 5.837 -5.002 1.00 0.00 C ATOM 672 C LEU A 39 5.533 5.862 -3.698 1.00 0.00 C ATOM 673 O LEU A 39 5.816 4.813 -3.108 1.00 0.00 O ATOM 674 CB LEU A 39 3.329 5.284 -4.733 1.00 0.00 C ATOM 675 CG LEU A 39 2.294 6.029 -5.588 1.00 0.00 C ATOM 676 CD1 LEU A 39 2.360 5.535 -7.035 1.00 0.00 C ATOM 677 CD2 LEU A 39 0.893 5.770 -5.033 1.00 0.00 C ATOM 0 H LEU A 39 5.619 4.057 -5.694 1.00 0.00 H new ATOM 0 HA LEU A 39 4.666 6.853 -5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.299 4.218 -4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.084 5.392 -3.676 1.00 0.00 H new ATOM 0 HG LEU A 39 2.511 7.097 -5.560 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.623 6.068 -7.635 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.356 5.718 -7.437 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.148 4.466 -7.065 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.158 6.299 -5.640 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.683 4.701 -5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.838 6.126 -4.004 1.00 0.00 H new ATOM 689 N LEU A 40 5.889 7.067 -3.251 1.00 0.00 N ATOM 690 CA LEU A 40 6.654 7.221 -2.016 1.00 0.00 C ATOM 691 C LEU A 40 5.808 7.983 -0.997 1.00 0.00 C ATOM 692 O LEU A 40 5.076 8.908 -1.352 1.00 0.00 O ATOM 693 CB LEU A 40 7.956 7.994 -2.313 1.00 0.00 C ATOM 694 CG LEU A 40 9.160 7.345 -1.610 1.00 0.00 C ATOM 695 CD1 LEU A 40 10.447 7.708 -2.359 1.00 0.00 C ATOM 696 CD2 LEU A 40 9.263 7.864 -0.174 1.00 0.00 C ATOM 0 H LEU A 40 5.662 7.943 -3.722 1.00 0.00 H new ATOM 0 HA LEU A 40 6.910 6.242 -1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.130 8.019 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.852 9.027 -1.982 1.00 0.00 H new ATOM 0 HG LEU A 40 9.025 6.263 -1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.300 7.248 -1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.386 7.344 -3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.571 8.791 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.117 7.401 0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.394 8.946 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.351 7.615 0.369 1.00 0.00 H new ATOM 708 N ILE A 41 5.900 7.573 0.265 1.00 0.00 N ATOM 709 CA ILE A 41 5.121 8.214 1.324 1.00 0.00 C ATOM 710 C ILE A 41 5.942 8.358 2.601 1.00 0.00 C ATOM 711 O ILE A 41 6.642 7.433 3.013 1.00 0.00 O ATOM 712 CB ILE A 41 3.871 7.383 1.616 1.00 0.00 C ATOM 713 CG1 ILE A 41 3.129 7.104 0.306 1.00 0.00 C ATOM 714 CG2 ILE A 41 2.958 8.154 2.571 1.00 0.00 C ATOM 715 CD1 ILE A 41 1.874 6.275 0.591 1.00 0.00 C ATOM 0 H ILE A 41 6.498 6.809 0.579 1.00 0.00 H new ATOM 0 HA ILE A 41 4.837 9.209 0.983 1.00 0.00 H new ATOM 0 HB ILE A 41 4.159 6.438 2.077 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.855 8.043 -0.175 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.780 6.570 -0.386 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.067 7.562 2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.489 8.351 3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.667 9.099 2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.348 6.078 -0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.159 5.330 1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.220 6.826 1.267 1.00 0.00 H new ATOM 727 N LEU A 42 5.855 9.530 3.218 1.00 0.00 N ATOM 728 CA LEU A 42 6.596 9.802 4.444 1.00 0.00 C ATOM 729 C LEU A 42 6.113 8.914 5.588 1.00 0.00 C ATOM 730 O LEU A 42 4.911 8.727 5.780 1.00 0.00 O ATOM 731 CB LEU A 42 6.420 11.272 4.838 1.00 0.00 C ATOM 732 CG LEU A 42 7.303 12.171 3.959 1.00 0.00 C ATOM 733 CD1 LEU A 42 8.766 12.045 4.389 1.00 0.00 C ATOM 734 CD2 LEU A 42 7.167 11.763 2.487 1.00 0.00 C ATOM 0 H LEU A 42 5.280 10.306 2.891 1.00 0.00 H new ATOM 0 HA LEU A 42 7.648 9.588 4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.375 11.561 4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.682 11.408 5.887 1.00 0.00 H new ATOM 0 HG LEU A 42 6.979 13.205 4.077 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.386 12.685 3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.867 12.351 5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.089 11.009 4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.796 12.406 1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.480 10.726 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.128 11.867 2.175 1.00 0.00 H new ATOM 746 N LEU A 43 7.064 8.381 6.350 1.00 0.00 N ATOM 747 CA LEU A 43 6.737 7.522 7.485 1.00 0.00 C ATOM 748 C LEU A 43 7.909 7.466 8.461 1.00 0.00 C ATOM 749 O LEU A 43 8.860 6.712 8.261 1.00 0.00 O ATOM 750 CB LEU A 43 6.402 6.112 6.991 1.00 0.00 C ATOM 751 CG LEU A 43 6.126 5.186 8.184 1.00 0.00 C ATOM 752 CD1 LEU A 43 4.732 5.469 8.751 1.00 0.00 C ATOM 753 CD2 LEU A 43 6.200 3.731 7.718 1.00 0.00 C ATOM 0 H LEU A 43 8.063 8.527 6.204 1.00 0.00 H new ATOM 0 HA LEU A 43 5.871 7.936 8.001 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.530 6.145 6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.229 5.719 6.400 1.00 0.00 H new ATOM 0 HG LEU A 43 6.870 5.364 8.960 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.542 4.809 9.597 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.677 6.506 9.081 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.983 5.294 7.979 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.005 3.068 8.561 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.455 3.559 6.941 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.193 3.527 7.319 1.00 0.00 H new ATOM 765 N GLU A 44 7.829 8.267 9.521 1.00 0.00 N ATOM 766 CA GLU A 44 8.889 8.298 10.525 1.00 0.00 C ATOM 767 C GLU A 44 8.698 7.175 11.540 1.00 0.00 C ATOM 768 O GLU A 44 9.664 6.680 12.121 1.00 0.00 O ATOM 769 CB GLU A 44 8.883 9.645 11.249 1.00 0.00 C ATOM 770 CG GLU A 44 9.079 10.774 10.235 1.00 0.00 C ATOM 771 CD GLU A 44 9.181 12.113 10.959 1.00 0.00 C ATOM 772 OE1 GLU A 44 8.625 13.077 10.461 1.00 0.00 O ATOM 773 OE2 GLU A 44 9.814 12.153 12.002 1.00 0.00 O ATOM 0 H GLU A 44 7.049 8.898 9.706 1.00 0.00 H new ATOM 0 HA GLU A 44 9.845 8.160 10.020 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.941 9.779 11.780 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.677 9.671 11.996 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.982 10.597 9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.245 10.793 9.534 1.00 0.00 H new ATOM 780 N ASN A 45 7.445 6.780 11.749 1.00 0.00 N ATOM 781 CA ASN A 45 7.137 5.714 12.699 1.00 0.00 C ATOM 782 C ASN A 45 8.121 4.557 12.550 1.00 0.00 C ATOM 783 O ASN A 45 8.135 3.867 11.530 1.00 0.00 O ATOM 784 CB ASN A 45 5.711 5.210 12.469 1.00 0.00 C ATOM 785 CG ASN A 45 4.708 6.289 12.862 1.00 0.00 C ATOM 786 OD1 ASN A 45 3.964 6.784 12.015 1.00 0.00 O ATOM 787 ND2 ASN A 45 4.643 6.687 14.103 1.00 0.00 N ATOM 0 H ASN A 45 6.632 7.178 11.278 1.00 0.00 H new ATOM 0 HA ASN A 45 7.223 6.116 13.708 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.576 4.940 11.422 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.536 4.308 13.055 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.975 7.409 14.373 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.260 6.276 14.803 1.00 0.00 H new ATOM 794 N GLU A 46 8.947 4.358 13.573 1.00 0.00 N ATOM 795 CA GLU A 46 9.939 3.289 13.552 1.00 0.00 C ATOM 796 C GLU A 46 9.267 1.917 13.525 1.00 0.00 C ATOM 797 O GLU A 46 9.625 1.059 12.719 1.00 0.00 O ATOM 798 CB GLU A 46 10.842 3.393 14.783 1.00 0.00 C ATOM 799 CG GLU A 46 11.802 2.203 14.820 1.00 0.00 C ATOM 800 CD GLU A 46 12.925 2.466 15.818 1.00 0.00 C ATOM 801 OE1 GLU A 46 13.206 3.626 16.071 1.00 0.00 O ATOM 802 OE2 GLU A 46 13.487 1.504 16.314 1.00 0.00 O ATOM 0 H GLU A 46 8.949 4.921 14.424 1.00 0.00 H new ATOM 0 HA GLU A 46 10.537 3.399 12.647 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.405 4.326 14.755 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.237 3.413 15.689 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.262 1.298 15.099 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.219 2.032 13.828 1.00 0.00 H new ATOM 809 N PHE A 47 8.294 1.717 14.408 1.00 0.00 N ATOM 810 CA PHE A 47 7.586 0.443 14.468 1.00 0.00 C ATOM 811 C PHE A 47 6.886 0.166 13.144 1.00 0.00 C ATOM 812 O PHE A 47 7.217 -0.791 12.440 1.00 0.00 O ATOM 813 CB PHE A 47 6.555 0.472 15.603 1.00 0.00 C ATOM 814 CG PHE A 47 7.240 0.183 16.921 1.00 0.00 C ATOM 815 CD1 PHE A 47 7.100 -1.074 17.520 1.00 0.00 C ATOM 816 CD2 PHE A 47 8.012 1.172 17.541 1.00 0.00 C ATOM 817 CE1 PHE A 47 7.732 -1.342 18.740 1.00 0.00 C ATOM 818 CE2 PHE A 47 8.644 0.904 18.761 1.00 0.00 C ATOM 819 CZ PHE A 47 8.504 -0.352 19.361 1.00 0.00 C ATOM 0 H PHE A 47 7.980 2.412 15.085 1.00 0.00 H new ATOM 0 HA PHE A 47 8.308 -0.351 14.658 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.069 1.447 15.641 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.775 -0.266 15.418 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.504 -1.837 17.041 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.120 2.142 17.078 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.624 -2.312 19.202 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.240 1.667 19.239 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.991 -0.558 20.303 1.00 0.00 H new ATOM 829 N ALA A 48 5.918 1.008 12.805 1.00 0.00 N ATOM 830 CA ALA A 48 5.181 0.842 11.559 1.00 0.00 C ATOM 831 C ALA A 48 6.133 0.458 10.430 1.00 0.00 C ATOM 832 O ALA A 48 6.155 -0.687 9.982 1.00 0.00 O ATOM 833 CB ALA A 48 4.455 2.145 11.206 1.00 0.00 C ATOM 0 H ALA A 48 5.627 1.806 13.370 1.00 0.00 H new ATOM 0 HA ALA A 48 4.448 0.046 11.688 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.906 2.014 10.274 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.759 2.401 12.004 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.184 2.947 11.089 1.00 0.00 H new ATOM 839 N ARG A 49 6.919 1.433 9.983 1.00 0.00 N ATOM 840 CA ARG A 49 7.880 1.209 8.908 1.00 0.00 C ATOM 841 C ARG A 49 8.498 -0.184 9.015 1.00 0.00 C ATOM 842 O ARG A 49 8.739 -0.845 8.006 1.00 0.00 O ATOM 843 CB ARG A 49 8.983 2.268 8.969 1.00 0.00 C ATOM 844 CG ARG A 49 9.725 2.321 7.631 1.00 0.00 C ATOM 845 CD ARG A 49 10.620 3.562 7.588 1.00 0.00 C ATOM 846 NE ARG A 49 11.709 3.367 6.635 1.00 0.00 N ATOM 847 CZ ARG A 49 12.869 2.835 7.010 1.00 0.00 C ATOM 848 NH1 ARG A 49 13.055 2.475 8.251 1.00 0.00 N ATOM 849 NH2 ARG A 49 13.824 2.672 6.135 1.00 0.00 N ATOM 0 H ARG A 49 6.909 2.385 10.348 1.00 0.00 H new ATOM 0 HA ARG A 49 7.355 1.284 7.956 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.552 3.243 9.195 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.681 2.034 9.773 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.327 1.422 7.502 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.010 2.347 6.808 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.031 4.434 7.304 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.026 3.761 8.580 1.00 0.00 H new ATOM 0 HE ARG A 49 11.578 3.644 5.662 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.310 2.601 8.936 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.946 2.067 8.536 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.680 2.953 5.165 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.714 2.264 6.421 1.00 0.00 H new ATOM 863 N ASN A 50 8.755 -0.619 10.244 1.00 0.00 N ATOM 864 CA ASN A 50 9.348 -1.932 10.469 1.00 0.00 C ATOM 865 C ASN A 50 8.509 -3.015 9.795 1.00 0.00 C ATOM 866 O ASN A 50 9.030 -3.891 9.107 1.00 0.00 O ATOM 867 CB ASN A 50 9.424 -2.211 11.976 1.00 0.00 C ATOM 868 CG ASN A 50 10.592 -3.145 12.280 1.00 0.00 C ATOM 869 OD1 ASN A 50 11.672 -2.688 12.656 1.00 0.00 O ATOM 870 ND2 ASN A 50 10.440 -4.434 12.139 1.00 0.00 N ATOM 0 H ASN A 50 8.564 -0.087 11.093 1.00 0.00 H new ATOM 0 HA ASN A 50 10.351 -1.942 10.042 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.546 -1.275 12.521 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.491 -2.660 12.318 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.216 -5.064 12.340 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.545 -4.811 11.828 1.00 0.00 H new ATOM 877 N SER A 51 7.200 -2.937 10.027 1.00 0.00 N ATOM 878 CA SER A 51 6.246 -3.902 9.479 1.00 0.00 C ATOM 879 C SER A 51 5.784 -3.520 8.071 1.00 0.00 C ATOM 880 O SER A 51 5.764 -4.354 7.165 1.00 0.00 O ATOM 881 CB SER A 51 5.025 -3.965 10.400 1.00 0.00 C ATOM 882 OG SER A 51 4.621 -5.320 10.553 1.00 0.00 O ATOM 0 H SER A 51 6.772 -2.208 10.597 1.00 0.00 H new ATOM 0 HA SER A 51 6.745 -4.869 9.417 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.265 -3.533 11.372 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.209 -3.375 9.982 1.00 0.00 H new ATOM 0 HG SER A 51 3.840 -5.364 11.144 1.00 0.00 H new ATOM 888 N LEU A 52 5.395 -2.263 7.900 1.00 0.00 N ATOM 889 CA LEU A 52 4.910 -1.793 6.607 1.00 0.00 C ATOM 890 C LEU A 52 5.835 -2.237 5.478 1.00 0.00 C ATOM 891 O LEU A 52 5.386 -2.843 4.505 1.00 0.00 O ATOM 892 CB LEU A 52 4.791 -0.262 6.615 1.00 0.00 C ATOM 893 CG LEU A 52 3.370 0.146 7.036 1.00 0.00 C ATOM 894 CD1 LEU A 52 3.385 1.558 7.625 1.00 0.00 C ATOM 895 CD2 LEU A 52 2.445 0.120 5.812 1.00 0.00 C ATOM 0 H LEU A 52 5.405 -1.555 8.634 1.00 0.00 H new ATOM 0 HA LEU A 52 3.927 -2.231 6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.521 0.165 7.302 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.015 0.135 5.625 1.00 0.00 H new ATOM 0 HG LEU A 52 3.007 -0.555 7.788 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.374 1.840 7.921 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.038 1.581 8.497 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.753 2.260 6.877 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.438 0.409 6.111 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.815 0.818 5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.424 -0.886 5.393 1.00 0.00 H new ATOM 907 N ASN A 53 7.122 -1.928 5.599 1.00 0.00 N ATOM 908 CA ASN A 53 8.073 -2.304 4.559 1.00 0.00 C ATOM 909 C ASN A 53 8.361 -3.802 4.603 1.00 0.00 C ATOM 910 O ASN A 53 8.979 -4.347 3.689 1.00 0.00 O ATOM 911 CB ASN A 53 9.373 -1.512 4.712 1.00 0.00 C ATOM 912 CG ASN A 53 10.201 -1.615 3.436 1.00 0.00 C ATOM 913 OD1 ASN A 53 10.386 -0.623 2.733 1.00 0.00 O ATOM 914 ND2 ASN A 53 10.714 -2.766 3.096 1.00 0.00 N ATOM 0 H ASN A 53 7.525 -1.428 6.391 1.00 0.00 H new ATOM 0 HA ASN A 53 7.629 -2.067 3.592 1.00 0.00 H new ATOM 0 HB2 ASN A 53 9.149 -0.467 4.926 1.00 0.00 H new ATOM 0 HB3 ASN A 53 9.944 -1.895 5.558 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.270 -2.845 2.245 1.00 0.00 H new ATOM 0 HD22 ASN A 53 10.558 -3.587 3.682 1.00 0.00 H new ATOM 921 N ASP A 54 7.895 -4.470 5.654 1.00 0.00 N ATOM 922 CA ASP A 54 8.100 -5.910 5.772 1.00 0.00 C ATOM 923 C ASP A 54 7.170 -6.638 4.810 1.00 0.00 C ATOM 924 O ASP A 54 7.478 -7.727 4.325 1.00 0.00 O ATOM 925 CB ASP A 54 7.824 -6.372 7.205 1.00 0.00 C ATOM 926 CG ASP A 54 8.448 -7.743 7.439 1.00 0.00 C ATOM 927 OD1 ASP A 54 9.660 -7.808 7.564 1.00 0.00 O ATOM 928 OD2 ASP A 54 7.705 -8.710 7.491 1.00 0.00 O ATOM 0 H ASP A 54 7.380 -4.045 6.426 1.00 0.00 H new ATOM 0 HA ASP A 54 9.136 -6.140 5.523 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.233 -5.651 7.913 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.749 -6.417 7.381 1.00 0.00 H new ATOM 933 N ASN A 55 6.028 -6.012 4.538 1.00 0.00 N ATOM 934 CA ASN A 55 5.038 -6.578 3.628 1.00 0.00 C ATOM 935 C ASN A 55 4.253 -5.459 2.950 1.00 0.00 C ATOM 936 O ASN A 55 3.036 -5.356 3.108 1.00 0.00 O ATOM 937 CB ASN A 55 4.078 -7.486 4.397 1.00 0.00 C ATOM 938 CG ASN A 55 4.865 -8.428 5.302 1.00 0.00 C ATOM 939 OD1 ASN A 55 5.267 -9.510 4.873 1.00 0.00 O ATOM 940 ND2 ASN A 55 5.109 -8.082 6.536 1.00 0.00 N ATOM 0 H ASN A 55 5.765 -5.110 4.936 1.00 0.00 H new ATOM 0 HA ASN A 55 5.554 -7.165 2.868 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.393 -6.883 4.993 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.471 -8.062 3.699 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.633 -8.708 7.147 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.775 -7.185 6.890 1.00 0.00 H new ATOM 947 N SER A 56 4.963 -4.618 2.205 1.00 0.00 N ATOM 948 CA SER A 56 4.332 -3.499 1.514 1.00 0.00 C ATOM 949 C SER A 56 3.732 -3.947 0.185 1.00 0.00 C ATOM 950 O SER A 56 3.923 -3.297 -0.843 1.00 0.00 O ATOM 951 CB SER A 56 5.359 -2.395 1.264 1.00 0.00 C ATOM 952 OG SER A 56 6.431 -2.918 0.490 1.00 0.00 O ATOM 0 H SER A 56 5.971 -4.689 2.065 1.00 0.00 H new ATOM 0 HA SER A 56 3.530 -3.117 2.146 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.892 -1.559 0.742 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.734 -2.009 2.212 1.00 0.00 H new ATOM 0 HG SER A 56 7.091 -2.212 0.326 1.00 0.00 H new ATOM 958 N GLU A 57 2.998 -5.053 0.216 1.00 0.00 N ATOM 959 CA GLU A 57 2.365 -5.569 -0.993 1.00 0.00 C ATOM 960 C GLU A 57 1.143 -4.726 -1.345 1.00 0.00 C ATOM 961 O GLU A 57 0.161 -5.232 -1.886 1.00 0.00 O ATOM 962 CB GLU A 57 1.945 -7.024 -0.785 1.00 0.00 C ATOM 963 CG GLU A 57 1.005 -7.120 0.417 1.00 0.00 C ATOM 964 CD GLU A 57 0.632 -8.577 0.672 1.00 0.00 C ATOM 965 OE1 GLU A 57 1.517 -9.343 1.016 1.00 0.00 O ATOM 966 OE2 GLU A 57 -0.532 -8.905 0.520 1.00 0.00 O ATOM 0 H GLU A 57 2.827 -5.606 1.056 1.00 0.00 H new ATOM 0 HA GLU A 57 3.082 -5.518 -1.813 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.448 -7.401 -1.679 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.824 -7.647 -0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.486 -6.699 1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.105 -6.532 0.234 1.00 0.00 H new ATOM 973 N ILE A 58 1.215 -3.438 -1.027 1.00 0.00 N ATOM 974 CA ILE A 58 0.112 -2.526 -1.306 1.00 0.00 C ATOM 975 C ILE A 58 -0.176 -2.468 -2.804 1.00 0.00 C ATOM 976 O ILE A 58 -1.146 -1.847 -3.234 1.00 0.00 O ATOM 977 CB ILE A 58 0.451 -1.128 -0.783 1.00 0.00 C ATOM 978 CG1 ILE A 58 0.964 -1.229 0.659 1.00 0.00 C ATOM 979 CG2 ILE A 58 -0.791 -0.237 -0.823 1.00 0.00 C ATOM 980 CD1 ILE A 58 -0.019 -2.038 1.509 1.00 0.00 C ATOM 0 H ILE A 58 2.021 -3.004 -0.578 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.780 -2.894 -0.799 1.00 0.00 H new ATOM 0 HB ILE A 58 1.223 -0.690 -1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.945 -1.704 0.672 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.087 -0.231 1.081 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.539 0.755 -0.449 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.149 -0.158 -1.849 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.572 -0.673 -0.199 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.353 -2.105 2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.991 -1.546 1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.120 -3.041 1.093 1.00 0.00 H new ATOM 992 N ILE A 59 0.659 -3.135 -3.595 1.00 0.00 N ATOM 993 CA ILE A 59 0.462 -3.161 -5.040 1.00 0.00 C ATOM 994 C ILE A 59 -0.620 -4.183 -5.388 1.00 0.00 C ATOM 995 O ILE A 59 -1.130 -4.216 -6.505 1.00 0.00 O ATOM 996 CB ILE A 59 1.773 -3.521 -5.741 1.00 0.00 C ATOM 997 CG1 ILE A 59 1.513 -3.742 -7.233 1.00 0.00 C ATOM 998 CG2 ILE A 59 2.346 -4.799 -5.127 1.00 0.00 C ATOM 999 CD1 ILE A 59 2.844 -3.757 -7.988 1.00 0.00 C ATOM 0 H ILE A 59 1.469 -3.659 -3.265 1.00 0.00 H new ATOM 0 HA ILE A 59 0.146 -2.175 -5.379 1.00 0.00 H new ATOM 0 HB ILE A 59 2.486 -2.707 -5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.986 -4.684 -7.385 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.871 -2.951 -7.622 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.280 -5.056 -5.627 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.534 -4.640 -4.065 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.633 -5.614 -5.251 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.658 -3.914 -9.050 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.354 -2.804 -7.846 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.470 -4.563 -7.606 1.00 0.00 H new ATOM 1011 N HIS A 60 -0.965 -4.999 -4.397 1.00 0.00 N ATOM 1012 CA HIS A 60 -1.997 -6.022 -4.547 1.00 0.00 C ATOM 1013 C HIS A 60 -3.368 -5.389 -4.777 1.00 0.00 C ATOM 1014 O HIS A 60 -4.276 -6.041 -5.293 1.00 0.00 O ATOM 1015 CB HIS A 60 -2.046 -6.881 -3.276 1.00 0.00 C ATOM 1016 CG HIS A 60 -1.016 -7.976 -3.363 1.00 0.00 C ATOM 1017 ND1 HIS A 60 0.283 -7.738 -3.785 1.00 0.00 N ATOM 1018 CD2 HIS A 60 -1.081 -9.320 -3.089 1.00 0.00 C ATOM 1019 CE1 HIS A 60 0.940 -8.912 -3.753 1.00 0.00 C ATOM 1020 NE2 HIS A 60 0.155 -9.909 -3.337 1.00 0.00 N ATOM 0 H HIS A 60 -0.540 -4.971 -3.470 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.750 -6.637 -5.412 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.859 -6.261 -2.399 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.040 -7.312 -3.155 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.958 -9.841 -2.735 1.00 0.00 H new ATOM 0 HE1 HIS A 60 1.977 -9.033 -4.030 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.407 -10.891 -3.225 1.00 0.00 H new ATOM 1029 N LEU A 61 -3.522 -4.125 -4.394 1.00 0.00 N ATOM 1030 CA LEU A 61 -4.800 -3.434 -4.565 1.00 0.00 C ATOM 1031 C LEU A 61 -4.603 -2.133 -5.335 1.00 0.00 C ATOM 1032 O LEU A 61 -5.352 -1.825 -6.263 1.00 0.00 O ATOM 1033 CB LEU A 61 -5.419 -3.136 -3.193 1.00 0.00 C ATOM 1034 CG LEU A 61 -4.706 -3.959 -2.113 1.00 0.00 C ATOM 1035 CD1 LEU A 61 -3.304 -3.384 -1.845 1.00 0.00 C ATOM 1036 CD2 LEU A 61 -5.532 -3.917 -0.827 1.00 0.00 C ATOM 0 H LEU A 61 -2.787 -3.561 -3.967 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.472 -4.079 -5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.334 -2.073 -2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.482 -3.376 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.603 -4.989 -2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.808 -3.977 -1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.716 -3.415 -2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.393 -2.352 -1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.032 -4.500 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.634 -2.884 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.520 -4.337 -1.015 1.00 0.00 H new ATOM 1048 N ALA A 62 -3.588 -1.376 -4.942 1.00 0.00 N ATOM 1049 CA ALA A 62 -3.292 -0.111 -5.597 1.00 0.00 C ATOM 1050 C ALA A 62 -3.157 -0.299 -7.105 1.00 0.00 C ATOM 1051 O ALA A 62 -3.173 0.670 -7.864 1.00 0.00 O ATOM 1052 CB ALA A 62 -1.986 0.462 -5.039 1.00 0.00 C ATOM 0 H ALA A 62 -2.958 -1.615 -4.176 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.114 0.578 -5.403 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.765 1.410 -5.530 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.089 0.625 -3.966 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.173 -0.240 -5.223 1.00 0.00 H new ATOM 1058 N GLU A 63 -3.008 -1.549 -7.532 1.00 0.00 N ATOM 1059 CA GLU A 63 -2.852 -1.836 -8.954 1.00 0.00 C ATOM 1060 C GLU A 63 -4.183 -1.691 -9.686 1.00 0.00 C ATOM 1061 O GLU A 63 -4.454 -2.414 -10.645 1.00 0.00 O ATOM 1062 CB GLU A 63 -2.311 -3.251 -9.144 1.00 0.00 C ATOM 1063 CG GLU A 63 -3.232 -4.238 -8.423 1.00 0.00 C ATOM 1064 CD GLU A 63 -2.755 -5.667 -8.661 1.00 0.00 C ATOM 1065 OE1 GLU A 63 -3.518 -6.439 -9.218 1.00 0.00 O ATOM 1066 OE2 GLU A 63 -1.635 -5.967 -8.282 1.00 0.00 O ATOM 0 H GLU A 63 -2.992 -2.368 -6.925 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.146 -1.119 -9.372 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.256 -3.494 -10.205 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.298 -3.323 -8.748 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.244 -4.023 -7.354 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.255 -4.123 -8.782 1.00 0.00 H new ATOM 1073 N SER A 64 -5.009 -0.754 -9.228 1.00 0.00 N ATOM 1074 CA SER A 64 -6.312 -0.521 -9.848 1.00 0.00 C ATOM 1075 C SER A 64 -6.515 0.965 -10.132 1.00 0.00 C ATOM 1076 O SER A 64 -6.517 1.389 -11.288 1.00 0.00 O ATOM 1077 CB SER A 64 -7.426 -1.025 -8.930 1.00 0.00 C ATOM 1078 OG SER A 64 -7.485 -0.205 -7.771 1.00 0.00 O ATOM 0 H SER A 64 -4.802 -0.147 -8.435 1.00 0.00 H new ATOM 0 HA SER A 64 -6.346 -1.066 -10.791 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.382 -1.004 -9.453 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.240 -2.061 -8.648 1.00 0.00 H new ATOM 0 HG SER A 64 -6.855 -0.541 -7.100 1.00 0.00 H new ATOM 1084 N LEU A 65 -6.690 1.751 -9.071 1.00 0.00 N ATOM 1085 CA LEU A 65 -6.898 3.193 -9.212 1.00 0.00 C ATOM 1086 C LEU A 65 -6.036 3.748 -10.344 1.00 0.00 C ATOM 1087 O LEU A 65 -6.363 4.772 -10.942 1.00 0.00 O ATOM 1088 CB LEU A 65 -6.552 3.888 -7.881 1.00 0.00 C ATOM 1089 CG LEU A 65 -6.957 5.380 -7.884 1.00 0.00 C ATOM 1090 CD1 LEU A 65 -5.990 6.213 -8.744 1.00 0.00 C ATOM 1091 CD2 LEU A 65 -8.389 5.545 -8.411 1.00 0.00 C ATOM 0 H LEU A 65 -6.692 1.416 -8.107 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.943 3.385 -9.458 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.059 3.377 -7.063 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.481 3.803 -7.696 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.908 5.741 -6.857 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.298 7.258 -8.729 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.980 6.126 -8.343 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.006 5.845 -9.770 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.659 6.601 -8.407 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.449 5.159 -9.429 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.078 4.992 -7.772 1.00 0.00 H new ATOM 1103 N TYR A 66 -4.941 3.054 -10.646 1.00 0.00 N ATOM 1104 CA TYR A 66 -4.044 3.478 -11.718 1.00 0.00 C ATOM 1105 C TYR A 66 -3.975 2.402 -12.798 1.00 0.00 C ATOM 1106 O TYR A 66 -4.629 1.365 -12.698 1.00 0.00 O ATOM 1107 CB TYR A 66 -2.638 3.729 -11.165 1.00 0.00 C ATOM 1108 CG TYR A 66 -2.713 4.589 -9.924 1.00 0.00 C ATOM 1109 CD1 TYR A 66 -2.409 5.954 -9.999 1.00 0.00 C ATOM 1110 CD2 TYR A 66 -3.081 4.022 -8.697 1.00 0.00 C ATOM 1111 CE1 TYR A 66 -2.470 6.751 -8.849 1.00 0.00 C ATOM 1112 CE2 TYR A 66 -3.144 4.820 -7.547 1.00 0.00 C ATOM 1113 CZ TYR A 66 -2.838 6.184 -7.624 1.00 0.00 C ATOM 1114 OH TYR A 66 -2.899 6.969 -6.491 1.00 0.00 O ATOM 0 H TYR A 66 -4.655 2.200 -10.167 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.432 4.401 -12.148 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.156 2.780 -10.930 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.024 4.220 -11.920 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.127 6.393 -10.945 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.316 2.970 -8.637 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.233 7.803 -8.908 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.429 4.383 -6.601 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.172 6.420 -5.727 1.00 0.00 H new ATOM 1124 N GLU A 67 -3.181 2.656 -13.835 1.00 0.00 N ATOM 1125 CA GLU A 67 -3.044 1.700 -14.929 1.00 0.00 C ATOM 1126 C GLU A 67 -2.296 0.452 -14.466 1.00 0.00 C ATOM 1127 O GLU A 67 -2.633 -0.665 -14.859 1.00 0.00 O ATOM 1128 CB GLU A 67 -2.298 2.344 -16.102 1.00 0.00 C ATOM 1129 CG GLU A 67 -1.135 3.194 -15.577 1.00 0.00 C ATOM 1130 CD GLU A 67 -1.622 4.599 -15.235 1.00 0.00 C ATOM 1131 OE1 GLU A 67 -2.803 4.748 -14.968 1.00 0.00 O ATOM 1132 OE2 GLU A 67 -0.806 5.506 -15.245 1.00 0.00 O ATOM 0 H GLU A 67 -2.628 3.507 -13.940 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.043 1.408 -15.254 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.922 1.572 -16.773 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.981 2.965 -16.682 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.703 2.726 -14.693 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.346 3.247 -16.327 1.00 0.00 H new ATOM 1139 N GLY A 68 -1.281 0.647 -13.630 1.00 0.00 N ATOM 1140 CA GLY A 68 -0.497 -0.474 -13.124 1.00 0.00 C ATOM 1141 C GLY A 68 0.660 0.016 -12.259 1.00 0.00 C ATOM 1142 O GLY A 68 1.759 0.262 -12.755 1.00 0.00 O ATOM 0 H GLY A 68 -0.984 1.562 -13.291 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.137 -1.136 -12.541 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.110 -1.058 -13.959 1.00 0.00 H new ATOM 1146 N ILE A 69 0.405 0.154 -10.962 1.00 0.00 N ATOM 1147 CA ILE A 69 1.432 0.615 -10.036 1.00 0.00 C ATOM 1148 C ILE A 69 2.638 -0.319 -10.056 1.00 0.00 C ATOM 1149 O ILE A 69 2.490 -1.541 -10.073 1.00 0.00 O ATOM 1150 CB ILE A 69 0.867 0.676 -8.613 1.00 0.00 C ATOM 1151 CG1 ILE A 69 -0.298 1.677 -8.559 1.00 0.00 C ATOM 1152 CG2 ILE A 69 1.970 1.103 -7.641 1.00 0.00 C ATOM 1153 CD1 ILE A 69 0.228 3.103 -8.345 1.00 0.00 C ATOM 0 H ILE A 69 -0.498 -0.045 -10.531 1.00 0.00 H new ATOM 0 HA ILE A 69 1.748 1.610 -10.350 1.00 0.00 H new ATOM 0 HB ILE A 69 0.500 -0.310 -8.327 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.870 1.629 -9.486 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.978 1.409 -7.751 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.567 1.146 -6.629 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.786 0.381 -7.676 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.344 2.087 -7.925 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.610 3.799 -8.309 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.779 3.150 -7.406 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.890 3.374 -9.168 1.00 0.00 H new ATOM 1165 N LYS A 70 3.830 0.267 -10.039 1.00 0.00 N ATOM 1166 CA LYS A 70 5.059 -0.515 -10.038 1.00 0.00 C ATOM 1167 C LYS A 70 5.315 -1.076 -8.642 1.00 0.00 C ATOM 1168 O LYS A 70 5.782 -2.204 -8.488 1.00 0.00 O ATOM 1169 CB LYS A 70 6.236 0.374 -10.464 1.00 0.00 C ATOM 1170 CG LYS A 70 7.294 -0.464 -11.192 1.00 0.00 C ATOM 1171 CD LYS A 70 7.761 -1.614 -10.292 1.00 0.00 C ATOM 1172 CE LYS A 70 9.145 -2.088 -10.742 1.00 0.00 C ATOM 1173 NZ LYS A 70 9.165 -2.226 -12.226 1.00 0.00 N ATOM 0 H LYS A 70 3.970 1.277 -10.026 1.00 0.00 H new ATOM 0 HA LYS A 70 4.959 -1.342 -10.741 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.881 1.172 -11.116 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.677 0.850 -9.589 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.881 -0.861 -12.119 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.143 0.163 -11.465 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.798 -1.285 -9.254 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.050 -2.439 -10.340 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.907 -1.377 -10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.384 -3.043 -10.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.928 -2.876 -12.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.252 -2.603 -12.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.329 -1.295 -12.659 1.00 0.00 H new ATOM 1187 N SER A 71 4.996 -0.277 -7.628 1.00 0.00 N ATOM 1188 CA SER A 71 5.188 -0.697 -6.244 1.00 0.00 C ATOM 1189 C SER A 71 4.790 0.420 -5.281 1.00 0.00 C ATOM 1190 O SER A 71 4.320 1.478 -5.698 1.00 0.00 O ATOM 1191 CB SER A 71 6.652 -1.075 -6.011 1.00 0.00 C ATOM 1192 OG SER A 71 7.490 -0.127 -6.659 1.00 0.00 O ATOM 0 H SER A 71 4.606 0.659 -7.737 1.00 0.00 H new ATOM 0 HA SER A 71 4.554 -1.564 -6.058 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.868 -1.099 -4.943 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.848 -2.075 -6.398 1.00 0.00 H new ATOM 0 HG SER A 71 8.429 -0.365 -6.511 1.00 0.00 H new ATOM 1198 N VAL A 72 4.997 0.172 -3.992 1.00 0.00 N ATOM 1199 CA VAL A 72 4.675 1.147 -2.953 1.00 0.00 C ATOM 1200 C VAL A 72 5.684 1.031 -1.814 1.00 0.00 C ATOM 1201 O VAL A 72 6.138 -0.068 -1.493 1.00 0.00 O ATOM 1202 CB VAL A 72 3.262 0.895 -2.413 1.00 0.00 C ATOM 1203 CG1 VAL A 72 2.761 2.133 -1.662 1.00 0.00 C ATOM 1204 CG2 VAL A 72 2.311 0.589 -3.574 1.00 0.00 C ATOM 0 H VAL A 72 5.389 -0.701 -3.639 1.00 0.00 H new ATOM 0 HA VAL A 72 4.719 2.149 -3.380 1.00 0.00 H new ATOM 0 HB VAL A 72 3.291 0.045 -1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.757 1.946 -1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.430 2.349 -0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.739 2.986 -2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.308 0.411 -3.186 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.289 1.436 -4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.658 -0.298 -4.104 1.00 0.00 H new ATOM 1214 N ASN A 73 6.040 2.161 -1.205 1.00 0.00 N ATOM 1215 CA ASN A 73 7.006 2.127 -0.109 1.00 0.00 C ATOM 1216 C ASN A 73 6.997 3.414 0.713 1.00 0.00 C ATOM 1217 O ASN A 73 6.676 4.496 0.215 1.00 0.00 O ATOM 1218 CB ASN A 73 8.412 1.890 -0.663 1.00 0.00 C ATOM 1219 CG ASN A 73 9.342 1.423 0.454 1.00 0.00 C ATOM 1220 OD1 ASN A 73 8.973 1.466 1.628 1.00 0.00 O ATOM 1221 ND2 ASN A 73 10.532 0.976 0.157 1.00 0.00 N ATOM 0 H ASN A 73 5.686 3.087 -1.443 1.00 0.00 H new ATOM 0 HA ASN A 73 6.716 1.309 0.551 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.378 1.142 -1.456 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.796 2.808 -1.107 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.158 0.661 0.898 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.836 0.941 -0.816 1.00 0.00 H new ATOM 1228 N PHE A 74 7.371 3.269 1.984 1.00 0.00 N ATOM 1229 CA PHE A 74 7.435 4.393 2.912 1.00 0.00 C ATOM 1230 C PHE A 74 8.855 4.524 3.457 1.00 0.00 C ATOM 1231 O PHE A 74 9.592 3.540 3.520 1.00 0.00 O ATOM 1232 CB PHE A 74 6.459 4.173 4.078 1.00 0.00 C ATOM 1233 CG PHE A 74 5.264 3.372 3.612 1.00 0.00 C ATOM 1234 CD1 PHE A 74 4.001 3.974 3.544 1.00 0.00 C ATOM 1235 CD2 PHE A 74 5.416 2.025 3.254 1.00 0.00 C ATOM 1236 CE1 PHE A 74 2.892 3.232 3.117 1.00 0.00 C ATOM 1237 CE2 PHE A 74 4.308 1.285 2.827 1.00 0.00 C ATOM 1238 CZ PHE A 74 3.046 1.888 2.758 1.00 0.00 C ATOM 0 H PHE A 74 7.636 2.374 2.395 1.00 0.00 H new ATOM 0 HA PHE A 74 7.158 5.305 2.383 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.963 3.649 4.890 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.130 5.134 4.474 1.00 0.00 H new ATOM 0 HD1 PHE A 74 3.882 5.011 3.821 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.389 1.558 3.308 1.00 0.00 H new ATOM 0 HE1 PHE A 74 1.919 3.697 3.065 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.426 0.248 2.550 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.192 1.316 2.428 1.00 0.00 H new ATOM 1248 N VAL A 75 9.240 5.736 3.846 1.00 0.00 N ATOM 1249 CA VAL A 75 10.584 5.955 4.375 1.00 0.00 C ATOM 1250 C VAL A 75 10.587 7.045 5.443 1.00 0.00 C ATOM 1251 O VAL A 75 9.553 7.351 6.037 1.00 0.00 O ATOM 1252 CB VAL A 75 11.531 6.348 3.243 1.00 0.00 C ATOM 1253 CG1 VAL A 75 11.424 5.330 2.106 1.00 0.00 C ATOM 1254 CG2 VAL A 75 11.154 7.739 2.726 1.00 0.00 C ATOM 0 H VAL A 75 8.653 6.569 3.807 1.00 0.00 H new ATOM 0 HA VAL A 75 10.921 5.025 4.832 1.00 0.00 H new ATOM 0 HB VAL A 75 12.556 6.364 3.615 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.101 5.613 1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.694 4.341 2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.401 5.310 1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 75 11.829 8.022 1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.129 7.724 2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.235 8.463 3.537 1.00 0.00 H new ATOM 1264 N ASN A 76 11.765 7.621 5.692 1.00 0.00 N ATOM 1265 CA ASN A 76 11.903 8.670 6.700 1.00 0.00 C ATOM 1266 C ASN A 76 12.100 10.038 6.048 1.00 0.00 C ATOM 1267 O ASN A 76 12.582 10.144 4.922 1.00 0.00 O ATOM 1268 CB ASN A 76 13.093 8.363 7.620 1.00 0.00 C ATOM 1269 CG ASN A 76 13.423 6.874 7.577 1.00 0.00 C ATOM 1270 OD1 ASN A 76 12.556 6.037 7.833 1.00 0.00 O ATOM 1271 ND2 ASN A 76 14.632 6.493 7.268 1.00 0.00 N ATOM 0 H ASN A 76 12.632 7.379 5.212 1.00 0.00 H new ATOM 0 HA ASN A 76 10.985 8.696 7.287 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.961 8.944 7.310 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.858 8.661 8.642 1.00 0.00 H new ATOM 0 HD21 ASN A 76 14.862 5.500 7.238 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.348 7.189 7.057 1.00 0.00 H new ATOM 1278 N GLU A 77 11.702 11.079 6.771 1.00 0.00 N ATOM 1279 CA GLU A 77 11.806 12.453 6.285 1.00 0.00 C ATOM 1280 C GLU A 77 13.031 12.666 5.393 1.00 0.00 C ATOM 1281 O GLU A 77 12.904 13.168 4.277 1.00 0.00 O ATOM 1282 CB GLU A 77 11.863 13.419 7.475 1.00 0.00 C ATOM 1283 CG GLU A 77 12.631 12.771 8.631 1.00 0.00 C ATOM 1284 CD GLU A 77 12.769 13.761 9.782 1.00 0.00 C ATOM 1285 OE1 GLU A 77 12.055 13.603 10.760 1.00 0.00 O ATOM 1286 OE2 GLU A 77 13.583 14.662 9.670 1.00 0.00 O ATOM 0 H GLU A 77 11.300 10.997 7.705 1.00 0.00 H new ATOM 0 HA GLU A 77 10.922 12.651 5.679 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.350 14.348 7.178 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.853 13.676 7.796 1.00 0.00 H new ATOM 0 HG2 GLU A 77 12.108 11.876 8.970 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.617 12.455 8.292 1.00 0.00 H new ATOM 1293 N GLN A 78 14.212 12.311 5.887 1.00 0.00 N ATOM 1294 CA GLN A 78 15.431 12.507 5.107 1.00 0.00 C ATOM 1295 C GLN A 78 15.436 11.630 3.858 1.00 0.00 C ATOM 1296 O GLN A 78 15.778 12.095 2.770 1.00 0.00 O ATOM 1297 CB GLN A 78 16.664 12.208 5.966 1.00 0.00 C ATOM 1298 CG GLN A 78 17.943 12.342 5.119 1.00 0.00 C ATOM 1299 CD GLN A 78 18.545 10.965 4.853 1.00 0.00 C ATOM 1300 OE1 GLN A 78 18.534 10.489 3.718 1.00 0.00 O ATOM 1301 NE2 GLN A 78 19.074 10.294 5.839 1.00 0.00 N ATOM 0 H GLN A 78 14.352 11.893 6.807 1.00 0.00 H new ATOM 0 HA GLN A 78 15.462 13.549 4.788 1.00 0.00 H new ATOM 0 HB2 GLN A 78 16.704 12.896 6.811 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.595 11.201 6.378 1.00 0.00 H new ATOM 0 HG2 GLN A 78 17.713 12.835 4.175 1.00 0.00 H new ATOM 0 HG3 GLN A 78 18.667 12.970 5.638 1.00 0.00 H new ATOM 0 HE21 GLN A 78 19.082 10.690 6.779 1.00 0.00 H new ATOM 0 HE22 GLN A 78 19.479 9.373 5.670 1.00 0.00 H new ATOM 1310 N ASP A 79 15.058 10.368 4.007 1.00 0.00 N ATOM 1311 CA ASP A 79 15.031 9.460 2.866 1.00 0.00 C ATOM 1312 C ASP A 79 14.220 10.068 1.720 1.00 0.00 C ATOM 1313 O ASP A 79 14.765 10.362 0.651 1.00 0.00 O ATOM 1314 CB ASP A 79 14.431 8.116 3.282 1.00 0.00 C ATOM 1315 CG ASP A 79 15.513 7.221 3.880 1.00 0.00 C ATOM 1316 OD1 ASP A 79 16.166 7.658 4.813 1.00 0.00 O ATOM 1317 OD2 ASP A 79 15.671 6.112 3.395 1.00 0.00 O ATOM 0 H ASP A 79 14.769 9.953 4.893 1.00 0.00 H new ATOM 0 HA ASP A 79 16.053 9.300 2.521 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.635 8.274 4.010 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.980 7.627 2.418 1.00 0.00 H new ATOM 1322 N PHE A 80 12.924 10.275 1.943 1.00 0.00 N ATOM 1323 CA PHE A 80 12.075 10.870 0.915 1.00 0.00 C ATOM 1324 C PHE A 80 12.774 12.086 0.317 1.00 0.00 C ATOM 1325 O PHE A 80 12.702 12.335 -0.886 1.00 0.00 O ATOM 1326 CB PHE A 80 10.738 11.301 1.530 1.00 0.00 C ATOM 1327 CG PHE A 80 10.112 12.400 0.696 1.00 0.00 C ATOM 1328 CD1 PHE A 80 10.300 13.742 1.054 1.00 0.00 C ATOM 1329 CD2 PHE A 80 9.345 12.081 -0.431 1.00 0.00 C ATOM 1330 CE1 PHE A 80 9.721 14.760 0.288 1.00 0.00 C ATOM 1331 CE2 PHE A 80 8.766 13.099 -1.197 1.00 0.00 C ATOM 1332 CZ PHE A 80 8.953 14.439 -0.837 1.00 0.00 C ATOM 0 H PHE A 80 12.445 10.043 2.813 1.00 0.00 H new ATOM 0 HA PHE A 80 11.891 10.134 0.133 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.063 10.447 1.587 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.894 11.652 2.550 1.00 0.00 H new ATOM 0 HD1 PHE A 80 10.892 13.991 1.922 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.200 11.048 -0.710 1.00 0.00 H new ATOM 0 HE1 PHE A 80 9.867 15.794 0.565 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.175 12.851 -2.066 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.505 15.225 -1.427 1.00 0.00 H new ATOM 1342 N PHE A 81 13.448 12.840 1.181 1.00 0.00 N ATOM 1343 CA PHE A 81 14.158 14.035 0.751 1.00 0.00 C ATOM 1344 C PHE A 81 15.268 13.674 -0.230 1.00 0.00 C ATOM 1345 O PHE A 81 15.621 14.472 -1.099 1.00 0.00 O ATOM 1346 CB PHE A 81 14.749 14.759 1.972 1.00 0.00 C ATOM 1347 CG PHE A 81 14.278 16.195 1.994 1.00 0.00 C ATOM 1348 CD1 PHE A 81 15.136 17.221 1.579 1.00 0.00 C ATOM 1349 CD2 PHE A 81 12.983 16.500 2.430 1.00 0.00 C ATOM 1350 CE1 PHE A 81 14.697 18.551 1.599 1.00 0.00 C ATOM 1351 CE2 PHE A 81 12.545 17.830 2.451 1.00 0.00 C ATOM 1352 CZ PHE A 81 13.403 18.856 2.035 1.00 0.00 C ATOM 0 H PHE A 81 13.516 12.643 2.180 1.00 0.00 H new ATOM 0 HA PHE A 81 13.454 14.697 0.248 1.00 0.00 H new ATOM 0 HB2 PHE A 81 14.445 14.253 2.888 1.00 0.00 H new ATOM 0 HB3 PHE A 81 15.838 14.724 1.935 1.00 0.00 H new ATOM 0 HD1 PHE A 81 16.136 16.987 1.244 1.00 0.00 H new ATOM 0 HD2 PHE A 81 12.321 15.709 2.750 1.00 0.00 H new ATOM 0 HE1 PHE A 81 15.358 19.342 1.277 1.00 0.00 H new ATOM 0 HE2 PHE A 81 11.546 18.064 2.788 1.00 0.00 H new ATOM 0 HZ PHE A 81 13.066 19.882 2.051 1.00 0.00 H new ATOM 1362 N PHE A 82 15.813 12.466 -0.099 1.00 0.00 N ATOM 1363 CA PHE A 82 16.871 12.025 -0.996 1.00 0.00 C ATOM 1364 C PHE A 82 16.287 11.701 -2.363 1.00 0.00 C ATOM 1365 O PHE A 82 16.965 11.812 -3.384 1.00 0.00 O ATOM 1366 CB PHE A 82 17.562 10.786 -0.423 1.00 0.00 C ATOM 1367 CG PHE A 82 18.685 10.366 -1.340 1.00 0.00 C ATOM 1368 CD1 PHE A 82 19.848 11.141 -1.420 1.00 0.00 C ATOM 1369 CD2 PHE A 82 18.566 9.202 -2.109 1.00 0.00 C ATOM 1370 CE1 PHE A 82 20.892 10.753 -2.269 1.00 0.00 C ATOM 1371 CE2 PHE A 82 19.610 8.813 -2.958 1.00 0.00 C ATOM 1372 CZ PHE A 82 20.773 9.589 -3.037 1.00 0.00 C ATOM 0 H PHE A 82 15.542 11.785 0.611 1.00 0.00 H new ATOM 0 HA PHE A 82 17.604 12.825 -1.099 1.00 0.00 H new ATOM 0 HB2 PHE A 82 17.952 11.002 0.572 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.844 9.973 -0.315 1.00 0.00 H new ATOM 0 HD1 PHE A 82 19.940 12.039 -0.827 1.00 0.00 H new ATOM 0 HD2 PHE A 82 17.669 8.604 -2.048 1.00 0.00 H new ATOM 0 HE1 PHE A 82 21.789 11.352 -2.331 1.00 0.00 H new ATOM 0 HE2 PHE A 82 19.518 7.915 -3.551 1.00 0.00 H new ATOM 0 HZ PHE A 82 21.579 9.289 -3.691 1.00 0.00 H new ATOM 1382 N ASN A 83 15.012 11.318 -2.375 1.00 0.00 N ATOM 1383 CA ASN A 83 14.327 10.999 -3.625 1.00 0.00 C ATOM 1384 C ASN A 83 13.585 12.232 -4.133 1.00 0.00 C ATOM 1385 O ASN A 83 12.627 12.127 -4.897 1.00 0.00 O ATOM 1386 CB ASN A 83 13.332 9.857 -3.401 1.00 0.00 C ATOM 1387 CG ASN A 83 12.924 9.246 -4.738 1.00 0.00 C ATOM 1388 OD1 ASN A 83 13.392 8.164 -5.095 1.00 0.00 O ATOM 1389 ND2 ASN A 83 12.076 9.877 -5.502 1.00 0.00 N ATOM 0 H ASN A 83 14.436 11.221 -1.539 1.00 0.00 H new ATOM 0 HA ASN A 83 15.065 10.689 -4.365 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.780 9.093 -2.765 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.451 10.230 -2.879 1.00 0.00 H new ATOM 0 HD21 ASN A 83 11.799 9.475 -6.397 1.00 0.00 H new ATOM 0 HD22 ASN A 83 11.690 10.773 -5.204 1.00 0.00 H new ATOM 1396 N LEU A 84 14.051 13.402 -3.705 1.00 0.00 N ATOM 1397 CA LEU A 84 13.448 14.660 -4.118 1.00 0.00 C ATOM 1398 C LEU A 84 14.166 15.191 -5.349 1.00 0.00 C ATOM 1399 O LEU A 84 13.630 15.171 -6.457 1.00 0.00 O ATOM 1400 CB LEU A 84 13.536 15.680 -2.970 1.00 0.00 C ATOM 1401 CG LEU A 84 12.303 16.597 -2.970 1.00 0.00 C ATOM 1402 CD1 LEU A 84 12.115 17.212 -4.360 1.00 0.00 C ATOM 1403 CD2 LEU A 84 11.048 15.796 -2.588 1.00 0.00 C ATOM 0 H LEU A 84 14.845 13.502 -3.072 1.00 0.00 H new ATOM 0 HA LEU A 84 12.399 14.496 -4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 84 13.608 15.158 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 84 14.441 16.278 -3.075 1.00 0.00 H new ATOM 0 HG LEU A 84 12.455 17.391 -2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 84 11.240 17.861 -4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 84 12.998 17.795 -4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 84 11.974 16.418 -5.093 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.180 16.456 -2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.896 14.993 -3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 84 11.177 15.371 -1.593 1.00 0.00 H new ATOM 1415 N ALA A 85 15.384 15.676 -5.137 1.00 0.00 N ATOM 1416 CA ALA A 85 16.178 16.224 -6.222 1.00 0.00 C ATOM 1417 C ALA A 85 16.194 15.278 -7.418 1.00 0.00 C ATOM 1418 O ALA A 85 16.411 15.704 -8.552 1.00 0.00 O ATOM 1419 CB ALA A 85 17.610 16.481 -5.744 1.00 0.00 C ATOM 0 H ALA A 85 15.839 15.699 -4.225 1.00 0.00 H new ATOM 0 HA ALA A 85 15.726 17.165 -6.534 1.00 0.00 H new ATOM 0 HB1 ALA A 85 18.199 16.892 -6.564 1.00 0.00 H new ATOM 0 HB2 ALA A 85 17.596 17.190 -4.916 1.00 0.00 H new ATOM 0 HB3 ALA A 85 18.056 15.544 -5.411 1.00 0.00 H new ATOM 1425 N LYS A 86 15.963 13.994 -7.160 1.00 0.00 N ATOM 1426 CA LYS A 86 15.954 12.999 -8.228 1.00 0.00 C ATOM 1427 C LYS A 86 15.281 13.564 -9.474 1.00 0.00 C ATOM 1428 O LYS A 86 15.756 13.372 -10.592 1.00 0.00 O ATOM 1429 CB LYS A 86 15.212 11.743 -7.762 1.00 0.00 C ATOM 1430 CG LYS A 86 15.072 10.754 -8.926 1.00 0.00 C ATOM 1431 CD LYS A 86 16.450 10.465 -9.532 1.00 0.00 C ATOM 1432 CE LYS A 86 16.418 9.122 -10.267 1.00 0.00 C ATOM 1433 NZ LYS A 86 15.396 9.173 -11.351 1.00 0.00 N ATOM 0 H LYS A 86 15.781 13.620 -6.229 1.00 0.00 H new ATOM 0 HA LYS A 86 16.984 12.739 -8.473 1.00 0.00 H new ATOM 0 HB2 LYS A 86 15.753 11.275 -6.940 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.226 12.013 -7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.618 9.827 -8.575 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.409 11.166 -9.687 1.00 0.00 H new ATOM 0 HD2 LYS A 86 16.729 11.262 -10.222 1.00 0.00 H new ATOM 0 HD3 LYS A 86 17.206 10.443 -8.747 1.00 0.00 H new ATOM 0 HE2 LYS A 86 17.399 8.902 -10.688 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.183 8.319 -9.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 15.553 8.387 -12.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.446 9.092 -10.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.475 10.076 -11.861 1.00 0.00 H new