USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 748 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 Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= 0.297 K(o=0.3,f=-1) USER MOD Single : A 11 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.51) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -1.4 K(o=-1.4,f=-2.3) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.187 K(o=-0.19,f=-1.4) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 62 HIS : no HD1:sc= -3.34 K(o=-3.3,f=-8.5!) USER MOD Single : A 63 CYS SG : rot 180:sc= -0.322 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 70 SER OG : rot 180:sc= -0.31 USER MOD Single : A 71 ASN : amide:sc= -0.0236 X(o=-0.024,f=-0.38) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 165:sc=-0.000436 (180deg=-0.0604) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 10.236 -6.206 -5.535 1.00 0.00 N ATOM 12 CA LEU A 2 8.990 -5.680 -6.093 1.00 0.00 C ATOM 13 C LEU A 2 8.369 -6.640 -7.107 1.00 0.00 C ATOM 14 O LEU A 2 8.820 -6.767 -8.245 1.00 0.00 O ATOM 15 CB LEU A 2 9.216 -4.284 -6.696 1.00 0.00 C ATOM 16 CG LEU A 2 9.225 -3.199 -5.600 1.00 0.00 C ATOM 17 CD1 LEU A 2 10.602 -2.594 -5.367 1.00 0.00 C ATOM 18 CD2 LEU A 2 8.226 -2.082 -5.899 1.00 0.00 C ATOM 0 HA LEU A 2 8.274 -5.584 -5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 2 10.163 -4.267 -7.236 1.00 0.00 H new ATOM 0 HB3 LEU A 2 8.431 -4.066 -7.421 1.00 0.00 H new ATOM 0 HG LEU A 2 8.928 -3.714 -4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 2 10.540 -1.838 -4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 2 11.296 -3.377 -5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 2 10.958 -2.134 -6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 2 8.263 -1.338 -5.103 1.00 0.00 H new ATOM 0 HD22 LEU A 2 8.480 -1.611 -6.849 1.00 0.00 H new ATOM 0 HD23 LEU A 2 7.221 -2.499 -5.959 1.00 0.00 H new ATOM 30 N THR A 3 7.293 -7.290 -6.679 1.00 0.00 N ATOM 31 CA THR A 3 6.538 -8.262 -7.446 1.00 0.00 C ATOM 32 C THR A 3 5.050 -8.015 -7.190 1.00 0.00 C ATOM 33 O THR A 3 4.693 -7.536 -6.111 1.00 0.00 O ATOM 34 CB THR A 3 6.985 -9.651 -6.957 1.00 0.00 C ATOM 35 OG1 THR A 3 8.393 -9.789 -7.020 1.00 0.00 O ATOM 36 CG2 THR A 3 6.342 -10.782 -7.746 1.00 0.00 C ATOM 0 H THR A 3 6.909 -7.144 -5.745 1.00 0.00 H new ATOM 0 HA THR A 3 6.709 -8.187 -8.520 1.00 0.00 H new ATOM 0 HB THR A 3 6.654 -9.724 -5.921 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.649 -10.680 -6.702 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.692 -11.740 -7.360 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.258 -10.725 -7.647 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.615 -10.693 -8.798 1.00 0.00 H new ATOM 44 N THR A 4 4.187 -8.287 -8.166 1.00 0.00 N ATOM 45 CA THR A 4 2.748 -8.110 -8.020 1.00 0.00 C ATOM 46 C THR A 4 2.160 -9.423 -7.481 1.00 0.00 C ATOM 47 O THR A 4 2.682 -10.501 -7.789 1.00 0.00 O ATOM 48 CB THR A 4 2.139 -7.730 -9.386 1.00 0.00 C ATOM 49 OG1 THR A 4 2.876 -6.684 -10.009 1.00 0.00 O ATOM 50 CG2 THR A 4 0.688 -7.254 -9.279 1.00 0.00 C ATOM 0 H THR A 4 4.469 -8.637 -9.082 1.00 0.00 H new ATOM 0 HA THR A 4 2.517 -7.306 -7.321 1.00 0.00 H new ATOM 0 HB THR A 4 2.179 -8.645 -9.978 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.468 -6.466 -10.873 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.314 -7.001 -10.271 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.075 -8.048 -8.852 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.640 -6.374 -8.638 1.00 0.00 H new ATOM 58 N ILE A 5 1.117 -9.352 -6.650 1.00 0.00 N ATOM 59 CA ILE A 5 0.428 -10.519 -6.090 1.00 0.00 C ATOM 60 C ILE A 5 -1.059 -10.390 -6.437 1.00 0.00 C ATOM 61 O ILE A 5 -1.492 -9.328 -6.891 1.00 0.00 O ATOM 62 CB ILE A 5 0.736 -10.781 -4.592 1.00 0.00 C ATOM 63 CG1 ILE A 5 -0.029 -9.930 -3.556 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.250 -10.753 -4.315 1.00 0.00 C ATOM 65 CD1 ILE A 5 0.180 -8.424 -3.679 1.00 0.00 C ATOM 0 H ILE A 5 0.720 -8.465 -6.341 1.00 0.00 H new ATOM 0 HA ILE A 5 0.815 -11.430 -6.547 1.00 0.00 H new ATOM 0 HB ILE A 5 0.342 -11.785 -4.436 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.094 -10.143 -3.649 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.273 -10.243 -2.557 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.430 -10.940 -3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.743 -11.523 -4.908 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.651 -9.776 -4.584 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.398 -7.912 -2.909 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.238 -8.192 -3.554 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.151 -8.090 -4.662 1.00 0.00 H new ATOM 77 N SER A 6 -1.853 -11.443 -6.242 1.00 0.00 N ATOM 78 CA SER A 6 -3.281 -11.401 -6.553 1.00 0.00 C ATOM 79 C SER A 6 -4.008 -10.417 -5.606 1.00 0.00 C ATOM 80 O SER A 6 -3.511 -10.138 -4.510 1.00 0.00 O ATOM 81 CB SER A 6 -3.827 -12.829 -6.502 1.00 0.00 C ATOM 82 OG SER A 6 -2.978 -13.715 -7.214 1.00 0.00 O ATOM 0 H SER A 6 -1.531 -12.336 -5.870 1.00 0.00 H new ATOM 0 HA SER A 6 -3.457 -11.019 -7.559 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.913 -13.154 -5.465 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.830 -12.856 -6.929 1.00 0.00 H new ATOM 0 HG SER A 6 -3.342 -14.624 -7.169 1.00 0.00 H new ATOM 88 N PRO A 7 -5.193 -9.889 -5.958 1.00 0.00 N ATOM 89 CA PRO A 7 -5.902 -8.924 -5.118 1.00 0.00 C ATOM 90 C PRO A 7 -6.228 -9.424 -3.707 1.00 0.00 C ATOM 91 O PRO A 7 -5.904 -8.739 -2.736 1.00 0.00 O ATOM 92 CB PRO A 7 -7.128 -8.477 -5.921 1.00 0.00 C ATOM 93 CG PRO A 7 -7.318 -9.574 -6.961 1.00 0.00 C ATOM 94 CD PRO A 7 -5.910 -10.108 -7.204 1.00 0.00 C ATOM 0 HA PRO A 7 -5.255 -8.074 -4.901 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -8.006 -8.377 -5.283 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.964 -7.507 -6.391 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.983 -10.357 -6.597 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.759 -9.182 -7.878 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.931 -11.166 -7.464 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.429 -9.586 -8.031 1.00 0.00 H new ATOM 102 N HIS A 8 -6.855 -10.591 -3.550 1.00 0.00 N ATOM 103 CA HIS A 8 -7.202 -11.097 -2.221 1.00 0.00 C ATOM 104 C HIS A 8 -5.968 -11.624 -1.467 1.00 0.00 C ATOM 105 O HIS A 8 -5.986 -11.727 -0.238 1.00 0.00 O ATOM 106 CB HIS A 8 -8.298 -12.158 -2.374 1.00 0.00 C ATOM 107 CG HIS A 8 -9.183 -12.378 -1.170 1.00 0.00 C ATOM 108 ND1 HIS A 8 -8.777 -12.533 0.139 1.00 0.00 N ATOM 109 CD2 HIS A 8 -10.542 -12.553 -1.204 1.00 0.00 C ATOM 110 CE1 HIS A 8 -9.868 -12.798 0.876 1.00 0.00 C ATOM 111 NE2 HIS A 8 -10.963 -12.834 0.098 1.00 0.00 N ATOM 0 H HIS A 8 -7.131 -11.200 -4.320 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.585 -10.281 -1.608 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.930 -11.880 -3.218 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.824 -13.106 -2.629 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -7.820 -12.460 0.485 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -11.173 -12.486 -2.078 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -9.866 -12.959 1.944 1.00 0.00 H new ATOM 119 N ASP A 9 -4.881 -11.944 -2.172 1.00 0.00 N ATOM 120 CA ASP A 9 -3.633 -12.450 -1.590 1.00 0.00 C ATOM 121 C ASP A 9 -2.974 -11.369 -0.736 1.00 0.00 C ATOM 122 O ASP A 9 -2.376 -11.670 0.292 1.00 0.00 O ATOM 123 CB ASP A 9 -2.648 -12.909 -2.668 1.00 0.00 C ATOM 124 CG ASP A 9 -2.972 -14.264 -3.295 1.00 0.00 C ATOM 125 OD1 ASP A 9 -2.155 -14.739 -4.112 1.00 0.00 O ATOM 126 OD2 ASP A 9 -4.076 -14.812 -3.073 1.00 0.00 O ATOM 0 H ASP A 9 -4.842 -11.857 -3.188 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.889 -13.310 -0.971 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.618 -12.157 -3.457 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.650 -12.955 -2.233 1.00 0.00 H new ATOM 131 N ALA A 10 -3.120 -10.101 -1.128 1.00 0.00 N ATOM 132 CA ALA A 10 -2.588 -8.938 -0.427 1.00 0.00 C ATOM 133 C ALA A 10 -2.947 -9.027 1.065 1.00 0.00 C ATOM 134 O ALA A 10 -2.083 -8.922 1.935 1.00 0.00 O ATOM 135 CB ALA A 10 -3.206 -7.709 -1.109 1.00 0.00 C ATOM 0 H ALA A 10 -3.632 -9.851 -1.974 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.501 -8.878 -0.477 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.843 -6.803 -0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.923 -7.696 -2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.292 -7.754 -1.026 1.00 0.00 H new ATOM 141 N GLN A 11 -4.228 -9.270 1.345 1.00 0.00 N ATOM 142 CA GLN A 11 -4.806 -9.401 2.669 1.00 0.00 C ATOM 143 C GLN A 11 -4.209 -10.575 3.440 1.00 0.00 C ATOM 144 O GLN A 11 -3.948 -10.462 4.636 1.00 0.00 O ATOM 145 CB GLN A 11 -6.316 -9.627 2.521 1.00 0.00 C ATOM 146 CG GLN A 11 -7.062 -9.125 3.763 1.00 0.00 C ATOM 147 CD GLN A 11 -8.086 -10.106 4.329 1.00 0.00 C ATOM 148 OE1 GLN A 11 -8.632 -10.970 3.651 1.00 0.00 O ATOM 149 NE2 GLN A 11 -8.376 -10.005 5.611 1.00 0.00 N ATOM 0 H GLN A 11 -4.923 -9.386 0.608 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.591 -8.489 3.225 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.682 -9.107 1.636 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.517 -10.688 2.373 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.333 -8.893 4.539 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.570 -8.193 3.514 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.926 -9.289 6.181 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.051 -10.643 6.033 1.00 0.00 H new ATOM 158 N GLU A 12 -4.031 -11.706 2.760 1.00 0.00 N ATOM 159 CA GLU A 12 -3.475 -12.938 3.301 1.00 0.00 C ATOM 160 C GLU A 12 -2.067 -12.680 3.828 1.00 0.00 C ATOM 161 O GLU A 12 -1.696 -13.211 4.870 1.00 0.00 O ATOM 162 CB GLU A 12 -3.492 -14.001 2.190 1.00 0.00 C ATOM 163 CG GLU A 12 -3.234 -15.431 2.663 1.00 0.00 C ATOM 164 CD GLU A 12 -4.252 -15.987 3.664 1.00 0.00 C ATOM 165 OE1 GLU A 12 -5.378 -15.450 3.778 1.00 0.00 O ATOM 166 OE2 GLU A 12 -3.896 -16.980 4.335 1.00 0.00 O ATOM 0 H GLU A 12 -4.282 -11.789 1.775 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.069 -13.301 4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.460 -13.968 1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.740 -13.739 1.445 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.212 -16.085 1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.244 -15.472 3.117 1.00 0.00 H new ATOM 173 N LEU A 13 -1.275 -11.848 3.147 1.00 0.00 N ATOM 174 CA LEU A 13 0.080 -11.551 3.590 1.00 0.00 C ATOM 175 C LEU A 13 0.005 -10.818 4.927 1.00 0.00 C ATOM 176 O LEU A 13 0.672 -11.214 5.885 1.00 0.00 O ATOM 177 CB LEU A 13 0.840 -10.753 2.516 1.00 0.00 C ATOM 178 CG LEU A 13 1.049 -11.511 1.187 1.00 0.00 C ATOM 179 CD1 LEU A 13 1.637 -10.571 0.129 1.00 0.00 C ATOM 180 CD2 LEU A 13 1.961 -12.731 1.352 1.00 0.00 C ATOM 0 H LEU A 13 -1.552 -11.371 2.289 1.00 0.00 H new ATOM 0 HA LEU A 13 0.643 -12.473 3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.295 -9.831 2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.814 -10.467 2.914 1.00 0.00 H new ATOM 0 HG LEU A 13 0.071 -11.868 0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.780 -11.117 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.953 -9.739 -0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.597 -10.188 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.078 -13.231 0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.937 -12.409 1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.518 -13.422 2.069 1.00 0.00 H new ATOM 192 N ILE A 14 -0.818 -9.769 5.018 1.00 0.00 N ATOM 193 CA ILE A 14 -1.003 -8.973 6.233 1.00 0.00 C ATOM 194 C ILE A 14 -1.582 -9.856 7.347 1.00 0.00 C ATOM 195 O ILE A 14 -1.154 -9.747 8.499 1.00 0.00 O ATOM 196 CB ILE A 14 -1.880 -7.743 5.912 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.152 -6.782 4.947 1.00 0.00 C ATOM 198 CG2 ILE A 14 -2.269 -6.921 7.149 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.126 -6.207 3.916 1.00 0.00 C ATOM 0 H ILE A 14 -1.384 -9.444 4.234 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.047 -8.597 6.597 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.783 -8.158 5.465 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.693 -5.971 5.512 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.347 -7.312 4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.884 -6.074 6.844 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.832 -7.548 7.840 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.368 -6.556 7.642 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.591 -5.533 3.247 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.565 -7.020 3.337 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.916 -5.658 4.428 1.00 0.00 H new ATOM 211 N ALA A 15 -2.514 -10.758 7.024 1.00 0.00 N ATOM 212 CA ALA A 15 -3.136 -11.667 7.982 1.00 0.00 C ATOM 213 C ALA A 15 -2.098 -12.632 8.565 1.00 0.00 C ATOM 214 O ALA A 15 -2.228 -13.049 9.717 1.00 0.00 O ATOM 215 CB ALA A 15 -4.256 -12.461 7.302 1.00 0.00 C ATOM 0 H ALA A 15 -2.861 -10.876 6.072 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.556 -11.074 8.794 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.714 -13.136 8.025 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.010 -11.773 6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.842 -13.040 6.476 1.00 0.00 H new ATOM 221 N ARG A 16 -1.063 -12.967 7.791 1.00 0.00 N ATOM 222 CA ARG A 16 0.011 -13.869 8.193 1.00 0.00 C ATOM 223 C ARG A 16 1.156 -13.154 8.899 1.00 0.00 C ATOM 224 O ARG A 16 1.909 -13.827 9.600 1.00 0.00 O ATOM 225 CB ARG A 16 0.510 -14.626 6.956 1.00 0.00 C ATOM 226 CG ARG A 16 -0.569 -15.603 6.480 1.00 0.00 C ATOM 227 CD ARG A 16 -0.254 -16.143 5.090 1.00 0.00 C ATOM 228 NE ARG A 16 -1.170 -17.246 4.782 1.00 0.00 N ATOM 229 CZ ARG A 16 -0.984 -18.538 5.044 1.00 0.00 C ATOM 230 NH1 ARG A 16 0.218 -18.994 5.375 1.00 0.00 N ATOM 231 NH2 ARG A 16 -2.022 -19.358 4.984 1.00 0.00 N ATOM 0 H ARG A 16 -0.949 -12.607 6.843 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.392 -14.571 8.924 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.754 -13.922 6.160 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.426 -15.168 7.194 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.649 -16.431 7.184 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.537 -15.101 6.467 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.356 -15.352 4.348 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.779 -16.489 5.047 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.043 -16.997 4.317 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.009 -18.353 5.430 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.350 -19.986 5.574 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.944 -18.996 4.740 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.899 -20.351 5.181 1.00 0.00 H new ATOM 245 N GLY A 17 1.319 -11.842 8.723 1.00 0.00 N ATOM 246 CA GLY A 17 2.384 -11.090 9.386 1.00 0.00 C ATOM 247 C GLY A 17 2.999 -9.940 8.591 1.00 0.00 C ATOM 248 O GLY A 17 3.956 -9.337 9.088 1.00 0.00 O ATOM 0 H GLY A 17 0.721 -11.275 8.122 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.989 -10.688 10.319 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.180 -11.786 9.651 1.00 0.00 H new ATOM 252 N ALA A 18 2.526 -9.648 7.375 1.00 0.00 N ATOM 253 CA ALA A 18 3.044 -8.555 6.552 1.00 0.00 C ATOM 254 C ALA A 18 2.466 -7.209 7.018 1.00 0.00 C ATOM 255 O ALA A 18 1.598 -7.163 7.894 1.00 0.00 O ATOM 256 CB ALA A 18 2.726 -8.817 5.072 1.00 0.00 C ATOM 0 H ALA A 18 1.768 -10.168 6.933 1.00 0.00 H new ATOM 0 HA ALA A 18 4.127 -8.506 6.665 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.115 -7.999 4.466 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.191 -9.752 4.760 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.646 -8.886 4.939 1.00 0.00 H new ATOM 262 N LYS A 19 2.918 -6.102 6.426 1.00 0.00 N ATOM 263 CA LYS A 19 2.474 -4.739 6.737 1.00 0.00 C ATOM 264 C LYS A 19 1.930 -4.084 5.477 1.00 0.00 C ATOM 265 O LYS A 19 2.176 -4.578 4.376 1.00 0.00 O ATOM 266 CB LYS A 19 3.640 -3.923 7.342 1.00 0.00 C ATOM 267 CG LYS A 19 3.276 -3.050 8.555 1.00 0.00 C ATOM 268 CD LYS A 19 2.625 -3.852 9.694 1.00 0.00 C ATOM 269 CE LYS A 19 2.573 -3.037 10.985 1.00 0.00 C ATOM 270 NZ LYS A 19 1.734 -3.708 11.996 1.00 0.00 N ATOM 0 H LYS A 19 3.626 -6.129 5.693 1.00 0.00 H new ATOM 0 HA LYS A 19 1.676 -4.772 7.479 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.430 -4.614 7.637 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.053 -3.280 6.564 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.176 -2.562 8.929 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.595 -2.261 8.237 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.616 -4.145 9.405 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.187 -4.770 9.863 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.582 -2.901 11.375 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.175 -2.044 10.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.713 -3.136 12.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.767 -3.815 11.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.130 -4.646 12.208 1.00 0.00 H new ATOM 284 N LEU A 20 1.240 -2.949 5.616 1.00 0.00 N ATOM 285 CA LEU A 20 0.677 -2.262 4.467 1.00 0.00 C ATOM 286 C LEU A 20 0.939 -0.774 4.498 1.00 0.00 C ATOM 287 O LEU A 20 0.579 -0.073 5.446 1.00 0.00 O ATOM 288 CB LEU A 20 -0.825 -2.527 4.369 1.00 0.00 C ATOM 289 CG LEU A 20 -1.450 -2.015 3.061 1.00 0.00 C ATOM 290 CD1 LEU A 20 -0.642 -2.451 1.843 1.00 0.00 C ATOM 291 CD2 LEU A 20 -2.901 -2.509 2.958 1.00 0.00 C ATOM 0 H LEU A 20 1.062 -2.494 6.511 1.00 0.00 H new ATOM 0 HA LEU A 20 1.175 -2.662 3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.004 -3.599 4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.326 -2.053 5.213 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.440 -0.925 3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.115 -2.070 0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.371 -2.055 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.604 -3.540 1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.344 -2.146 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.916 -3.599 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.474 -2.133 3.805 1.00 0.00 H new ATOM 303 N ILE A 21 1.567 -0.290 3.437 1.00 0.00 N ATOM 304 CA ILE A 21 1.903 1.095 3.245 1.00 0.00 C ATOM 305 C ILE A 21 1.194 1.492 1.950 1.00 0.00 C ATOM 306 O ILE A 21 1.174 0.752 0.962 1.00 0.00 O ATOM 307 CB ILE A 21 3.442 1.245 3.227 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.116 1.199 4.619 1.00 0.00 C ATOM 309 CG2 ILE A 21 3.818 2.593 2.607 1.00 0.00 C ATOM 310 CD1 ILE A 21 3.918 -0.088 5.423 1.00 0.00 C ATOM 0 H ILE A 21 1.864 -0.882 2.661 1.00 0.00 H new ATOM 0 HA ILE A 21 1.575 1.762 4.043 1.00 0.00 H new ATOM 0 HB ILE A 21 3.798 0.390 2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.186 1.359 4.487 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.739 2.034 5.210 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.903 2.698 2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.437 2.643 1.587 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.382 3.399 3.197 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.435 -0.003 6.379 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.854 -0.247 5.599 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.324 -0.932 4.865 1.00 0.00 H new ATOM 322 N ASP A 22 0.574 2.664 1.962 1.00 0.00 N ATOM 323 CA ASP A 22 -0.141 3.228 0.837 1.00 0.00 C ATOM 324 C ASP A 22 0.682 4.446 0.434 1.00 0.00 C ATOM 325 O ASP A 22 0.910 5.341 1.245 1.00 0.00 O ATOM 326 CB ASP A 22 -1.618 3.428 1.190 1.00 0.00 C ATOM 327 CG ASP A 22 -2.011 4.669 1.979 1.00 0.00 C ATOM 328 OD1 ASP A 22 -2.195 5.728 1.345 1.00 0.00 O ATOM 329 OD2 ASP A 22 -2.294 4.514 3.184 1.00 0.00 O ATOM 0 H ASP A 22 0.557 3.265 2.786 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.223 2.589 -0.042 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.184 3.433 0.259 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.945 2.556 1.757 1.00 0.00 H new ATOM 334 N ILE A 23 1.219 4.422 -0.789 1.00 0.00 N ATOM 335 CA ILE A 23 2.089 5.467 -1.334 1.00 0.00 C ATOM 336 C ILE A 23 1.415 6.480 -2.267 1.00 0.00 C ATOM 337 O ILE A 23 2.078 6.998 -3.172 1.00 0.00 O ATOM 338 CB ILE A 23 3.380 4.852 -1.933 1.00 0.00 C ATOM 339 CG1 ILE A 23 3.049 3.945 -3.135 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.190 4.044 -0.899 1.00 0.00 C ATOM 341 CD1 ILE A 23 4.278 3.539 -3.944 1.00 0.00 C ATOM 0 H ILE A 23 1.057 3.656 -1.443 1.00 0.00 H new ATOM 0 HA ILE A 23 2.365 6.084 -0.479 1.00 0.00 H new ATOM 0 HB ILE A 23 3.993 5.692 -2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.547 3.047 -2.776 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.347 4.463 -3.789 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.083 3.637 -1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.482 4.696 -0.076 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.578 3.227 -0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.973 2.902 -4.774 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.769 4.431 -4.333 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.971 2.994 -3.304 1.00 0.00 H new ATOM 353 N ARG A 24 0.099 6.704 -2.160 1.00 0.00 N ATOM 354 CA ARG A 24 -0.577 7.698 -2.990 1.00 0.00 C ATOM 355 C ARG A 24 -0.229 9.068 -2.392 1.00 0.00 C ATOM 356 O ARG A 24 0.856 9.259 -1.836 1.00 0.00 O ATOM 357 CB ARG A 24 -2.097 7.465 -2.978 1.00 0.00 C ATOM 358 CG ARG A 24 -2.531 6.055 -3.385 1.00 0.00 C ATOM 359 CD ARG A 24 -2.688 4.995 -2.290 1.00 0.00 C ATOM 360 NE ARG A 24 -3.347 5.501 -1.080 1.00 0.00 N ATOM 361 CZ ARG A 24 -4.633 5.548 -0.731 1.00 0.00 C ATOM 362 NH1 ARG A 24 -5.597 5.301 -1.605 1.00 0.00 N ATOM 363 NH2 ARG A 24 -4.926 5.853 0.528 1.00 0.00 N ATOM 0 H ARG A 24 -0.512 6.211 -1.509 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.255 7.633 -4.029 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.475 7.672 -1.977 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.566 8.183 -3.650 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.485 6.139 -3.905 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.806 5.680 -4.108 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.263 4.158 -2.685 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.704 4.609 -2.024 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.708 5.884 -0.383 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.363 5.068 -2.570 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.573 5.343 -1.313 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.177 6.043 1.194 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.900 5.898 0.829 1.00 0.00 H new ATOM 377 N ASP A 25 -1.057 10.077 -2.624 1.00 0.00 N ATOM 378 CA ASP A 25 -0.849 11.394 -2.041 1.00 0.00 C ATOM 379 C ASP A 25 -1.598 11.316 -0.710 1.00 0.00 C ATOM 380 O ASP A 25 -2.650 10.670 -0.653 1.00 0.00 O ATOM 381 CB ASP A 25 -1.405 12.505 -2.943 1.00 0.00 C ATOM 382 CG ASP A 25 -0.293 13.080 -3.822 1.00 0.00 C ATOM 383 OD1 ASP A 25 0.270 14.137 -3.449 1.00 0.00 O ATOM 384 OD2 ASP A 25 0.055 12.452 -4.851 1.00 0.00 O ATOM 0 H ASP A 25 -1.885 10.007 -3.216 1.00 0.00 H new ATOM 0 HA ASP A 25 0.205 11.640 -1.916 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.205 12.109 -3.569 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.840 13.295 -2.332 1.00 0.00 H new ATOM 389 N ALA A 26 -1.101 11.950 0.358 1.00 0.00 N ATOM 390 CA ALA A 26 -1.784 11.913 1.657 1.00 0.00 C ATOM 391 C ALA A 26 -3.212 12.458 1.532 1.00 0.00 C ATOM 392 O ALA A 26 -4.106 12.061 2.273 1.00 0.00 O ATOM 393 CB ALA A 26 -1.004 12.696 2.712 1.00 0.00 C ATOM 0 H ALA A 26 -0.236 12.491 0.350 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.836 10.873 1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.534 12.651 3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.011 12.261 2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.910 13.735 2.398 1.00 0.00 H new ATOM 399 N ASP A 27 -3.432 13.338 0.558 1.00 0.00 N ATOM 400 CA ASP A 27 -4.709 13.961 0.255 1.00 0.00 C ATOM 401 C ASP A 27 -5.767 12.900 -0.077 1.00 0.00 C ATOM 402 O ASP A 27 -6.956 13.161 0.098 1.00 0.00 O ATOM 403 CB ASP A 27 -4.532 14.941 -0.907 1.00 0.00 C ATOM 404 CG ASP A 27 -3.859 16.264 -0.523 1.00 0.00 C ATOM 405 OD1 ASP A 27 -4.272 17.305 -1.084 1.00 0.00 O ATOM 406 OD2 ASP A 27 -2.895 16.297 0.278 1.00 0.00 O ATOM 0 H ASP A 27 -2.688 13.647 -0.067 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.057 14.509 1.131 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.941 14.459 -1.686 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.510 15.156 -1.337 1.00 0.00 H new ATOM 411 N GLU A 28 -5.393 11.724 -0.597 1.00 0.00 N ATOM 412 CA GLU A 28 -6.338 10.654 -0.900 1.00 0.00 C ATOM 413 C GLU A 28 -6.779 10.017 0.414 1.00 0.00 C ATOM 414 O GLU A 28 -7.974 9.817 0.630 1.00 0.00 O ATOM 415 CB GLU A 28 -5.673 9.600 -1.793 1.00 0.00 C ATOM 416 CG GLU A 28 -5.594 10.085 -3.240 1.00 0.00 C ATOM 417 CD GLU A 28 -6.965 9.967 -3.913 1.00 0.00 C ATOM 418 OE1 GLU A 28 -7.688 10.987 -4.020 1.00 0.00 O ATOM 419 OE2 GLU A 28 -7.362 8.831 -4.274 1.00 0.00 O ATOM 0 H GLU A 28 -4.425 11.492 -0.818 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.200 11.059 -1.430 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.671 9.383 -1.422 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.238 8.669 -1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.256 11.121 -3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.859 9.496 -3.789 1.00 0.00 H new ATOM 426 N TYR A 29 -5.804 9.714 1.277 1.00 0.00 N ATOM 427 CA TYR A 29 -5.995 9.107 2.584 1.00 0.00 C ATOM 428 C TYR A 29 -6.965 9.929 3.441 1.00 0.00 C ATOM 429 O TYR A 29 -7.774 9.338 4.157 1.00 0.00 O ATOM 430 CB TYR A 29 -4.615 8.880 3.230 1.00 0.00 C ATOM 431 CG TYR A 29 -4.617 8.605 4.717 1.00 0.00 C ATOM 432 CD1 TYR A 29 -4.707 9.669 5.636 1.00 0.00 C ATOM 433 CD2 TYR A 29 -4.402 7.300 5.185 1.00 0.00 C ATOM 434 CE1 TYR A 29 -4.564 9.425 7.011 1.00 0.00 C ATOM 435 CE2 TYR A 29 -4.300 7.051 6.561 1.00 0.00 C ATOM 436 CZ TYR A 29 -4.365 8.112 7.482 1.00 0.00 C ATOM 437 OH TYR A 29 -4.194 7.880 8.811 1.00 0.00 O ATOM 0 H TYR A 29 -4.822 9.895 1.069 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.472 8.132 2.488 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.133 8.042 2.726 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.000 9.760 3.044 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.886 10.674 5.282 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.315 6.484 4.483 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -4.607 10.247 7.710 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.171 6.039 6.916 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.071 6.920 8.962 1.00 0.00 H new ATOM 447 N LEU A 30 -6.943 11.270 3.341 1.00 0.00 N ATOM 448 CA LEU A 30 -7.853 12.128 4.109 1.00 0.00 C ATOM 449 C LEU A 30 -9.311 11.742 3.825 1.00 0.00 C ATOM 450 O LEU A 30 -10.162 11.849 4.722 1.00 0.00 O ATOM 451 CB LEU A 30 -7.644 13.626 3.805 1.00 0.00 C ATOM 452 CG LEU A 30 -6.659 14.335 4.755 1.00 0.00 C ATOM 453 CD1 LEU A 30 -5.198 14.082 4.388 1.00 0.00 C ATOM 454 CD2 LEU A 30 -6.914 15.843 4.740 1.00 0.00 C ATOM 0 H LEU A 30 -6.302 11.781 2.734 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.626 11.971 5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.282 13.730 2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.608 14.133 3.856 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.832 13.922 5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.550 14.606 5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.992 13.013 4.432 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.008 14.447 3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.214 16.337 5.414 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.776 16.225 3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.934 16.043 5.067 1.00 0.00 H new ATOM 466 N ARG A 31 -9.640 11.378 2.579 1.00 0.00 N ATOM 467 CA ARG A 31 -10.989 10.963 2.227 1.00 0.00 C ATOM 468 C ARG A 31 -11.159 9.518 2.640 1.00 0.00 C ATOM 469 O ARG A 31 -12.031 9.215 3.455 1.00 0.00 O ATOM 470 CB ARG A 31 -11.265 11.045 0.719 1.00 0.00 C ATOM 471 CG ARG A 31 -11.425 12.475 0.211 1.00 0.00 C ATOM 472 CD ARG A 31 -12.327 12.421 -1.025 1.00 0.00 C ATOM 473 NE ARG A 31 -12.601 13.734 -1.623 1.00 0.00 N ATOM 474 CZ ARG A 31 -13.374 13.896 -2.704 1.00 0.00 C ATOM 475 NH1 ARG A 31 -14.005 12.863 -3.256 1.00 0.00 N ATOM 476 NH2 ARG A 31 -13.513 15.096 -3.243 1.00 0.00 N ATOM 0 H ARG A 31 -8.982 11.365 1.800 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.681 11.634 2.736 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.448 10.565 0.181 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.171 10.483 0.491 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.865 13.109 0.981 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.455 12.905 -0.040 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.860 11.782 -1.775 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -13.273 11.953 -0.752 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.183 14.560 -1.195 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -13.904 11.930 -2.856 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -14.590 13.004 -4.079 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.031 15.897 -2.835 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -14.102 15.220 -4.067 1.00 0.00 H new ATOM 490 N GLU A 32 -10.355 8.630 2.060 1.00 0.00 N ATOM 491 CA GLU A 32 -10.440 7.211 2.337 1.00 0.00 C ATOM 492 C GLU A 32 -9.132 6.472 2.092 1.00 0.00 C ATOM 493 O GLU A 32 -8.350 6.806 1.197 1.00 0.00 O ATOM 494 CB GLU A 32 -11.575 6.615 1.488 1.00 0.00 C ATOM 495 CG GLU A 32 -11.525 6.878 -0.035 1.00 0.00 C ATOM 496 CD GLU A 32 -12.938 7.069 -0.599 1.00 0.00 C ATOM 497 OE1 GLU A 32 -13.233 8.151 -1.153 1.00 0.00 O ATOM 498 OE2 GLU A 32 -13.796 6.173 -0.392 1.00 0.00 O ATOM 0 H GLU A 32 -9.630 8.880 1.387 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.651 7.086 3.399 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.585 5.536 1.645 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.521 7.001 1.868 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.925 7.765 -0.236 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.037 6.043 -0.537 1.00 0.00 H new ATOM 505 N HIS A 33 -8.917 5.419 2.875 1.00 0.00 N ATOM 506 CA HIS A 33 -7.752 4.546 2.831 1.00 0.00 C ATOM 507 C HIS A 33 -8.190 3.146 3.277 1.00 0.00 C ATOM 508 O HIS A 33 -9.365 2.791 3.109 1.00 0.00 O ATOM 509 CB HIS A 33 -6.618 5.156 3.672 1.00 0.00 C ATOM 510 CG HIS A 33 -6.898 5.283 5.150 1.00 0.00 C ATOM 511 ND1 HIS A 33 -6.321 4.514 6.134 1.00 0.00 N ATOM 512 CD2 HIS A 33 -7.658 6.245 5.766 1.00 0.00 C ATOM 513 CE1 HIS A 33 -6.729 4.995 7.316 1.00 0.00 C ATOM 514 NE2 HIS A 33 -7.566 6.037 7.150 1.00 0.00 N ATOM 0 H HIS A 33 -9.585 5.139 3.593 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.348 4.450 1.823 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -5.724 4.546 3.541 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.389 6.146 3.277 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -5.696 3.721 5.990 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.225 7.022 5.274 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.427 4.600 8.275 1.00 0.00 H new ATOM 522 N ILE A 34 -7.264 2.331 3.785 1.00 0.00 N ATOM 523 CA ILE A 34 -7.490 0.980 4.279 1.00 0.00 C ATOM 524 C ILE A 34 -7.055 0.990 5.756 1.00 0.00 C ATOM 525 O ILE A 34 -6.019 1.571 6.071 1.00 0.00 O ATOM 526 CB ILE A 34 -6.700 -0.025 3.421 1.00 0.00 C ATOM 527 CG1 ILE A 34 -7.216 0.020 1.964 1.00 0.00 C ATOM 528 CG2 ILE A 34 -6.795 -1.469 3.940 1.00 0.00 C ATOM 529 CD1 ILE A 34 -6.154 0.532 1.005 1.00 0.00 C ATOM 0 H ILE A 34 -6.287 2.614 3.865 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.533 0.671 4.210 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.653 0.272 3.476 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.531 -0.978 1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.095 0.662 1.909 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.217 -2.127 3.292 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.398 -1.518 4.954 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.838 -1.787 3.943 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.556 0.548 -0.008 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.858 1.540 1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.285 -0.125 1.040 1.00 0.00 H new ATOM 541 N PRO A 35 -7.802 0.341 6.662 1.00 0.00 N ATOM 542 CA PRO A 35 -7.491 0.307 8.094 1.00 0.00 C ATOM 543 C PRO A 35 -6.243 -0.512 8.414 1.00 0.00 C ATOM 544 O PRO A 35 -5.512 -0.240 9.362 1.00 0.00 O ATOM 545 CB PRO A 35 -8.711 -0.349 8.742 1.00 0.00 C ATOM 546 CG PRO A 35 -9.346 -1.178 7.628 1.00 0.00 C ATOM 547 CD PRO A 35 -9.027 -0.380 6.378 1.00 0.00 C ATOM 0 HA PRO A 35 -7.286 1.313 8.461 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.422 -0.976 9.586 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.406 0.399 9.124 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.925 -2.182 7.583 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.421 -1.289 7.771 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.902 -1.037 5.518 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.837 0.308 6.138 1.00 0.00 H new ATOM 555 N GLU A 36 -5.990 -1.535 7.606 1.00 0.00 N ATOM 556 CA GLU A 36 -4.851 -2.417 7.772 1.00 0.00 C ATOM 557 C GLU A 36 -3.538 -1.761 7.326 1.00 0.00 C ATOM 558 O GLU A 36 -2.504 -2.431 7.377 1.00 0.00 O ATOM 559 CB GLU A 36 -5.107 -3.733 7.021 1.00 0.00 C ATOM 560 CG GLU A 36 -6.345 -4.446 7.585 1.00 0.00 C ATOM 561 CD GLU A 36 -6.181 -4.911 9.034 1.00 0.00 C ATOM 562 OE1 GLU A 36 -5.030 -5.045 9.511 1.00 0.00 O ATOM 563 OE2 GLU A 36 -7.213 -5.150 9.702 1.00 0.00 O ATOM 0 H GLU A 36 -6.580 -1.774 6.809 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.737 -2.630 8.835 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.250 -3.530 5.960 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.236 -4.382 7.107 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.200 -3.773 7.523 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.573 -5.309 6.959 1.00 0.00 H new ATOM 570 N ALA A 37 -3.570 -0.505 6.860 1.00 0.00 N ATOM 571 CA ALA A 37 -2.418 0.244 6.388 1.00 0.00 C ATOM 572 C ALA A 37 -2.153 1.487 7.220 1.00 0.00 C ATOM 573 O ALA A 37 -3.006 1.905 8.003 1.00 0.00 O ATOM 574 CB ALA A 37 -2.673 0.669 4.937 1.00 0.00 C ATOM 0 H ALA A 37 -4.437 0.030 6.803 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.544 -0.402 6.470 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.817 1.233 4.567 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.819 -0.217 4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.565 1.293 4.892 1.00 0.00 H new ATOM 580 N ASP A 38 -0.962 2.069 7.031 1.00 0.00 N ATOM 581 CA ASP A 38 -0.586 3.292 7.750 1.00 0.00 C ATOM 582 C ASP A 38 -0.848 4.527 6.895 1.00 0.00 C ATOM 583 O ASP A 38 -1.807 5.237 7.190 1.00 0.00 O ATOM 584 CB ASP A 38 0.854 3.298 8.270 1.00 0.00 C ATOM 585 CG ASP A 38 1.126 4.601 9.043 1.00 0.00 C ATOM 586 OD1 ASP A 38 2.215 5.198 8.904 1.00 0.00 O ATOM 587 OD2 ASP A 38 0.274 5.025 9.854 1.00 0.00 O ATOM 0 H ASP A 38 -0.249 1.717 6.393 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.223 3.316 8.634 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.019 2.438 8.919 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.551 3.207 7.437 1.00 0.00 H new ATOM 592 N LEU A 39 -0.040 4.719 5.841 1.00 0.00 N ATOM 593 CA LEU A 39 0.058 5.767 4.808 1.00 0.00 C ATOM 594 C LEU A 39 1.518 6.200 4.761 1.00 0.00 C ATOM 595 O LEU A 39 2.157 6.289 5.807 1.00 0.00 O ATOM 596 CB LEU A 39 -0.793 7.004 5.153 1.00 0.00 C ATOM 597 CG LEU A 39 -0.449 8.309 4.402 1.00 0.00 C ATOM 598 CD1 LEU A 39 -0.760 8.232 2.905 1.00 0.00 C ATOM 599 CD2 LEU A 39 -1.146 9.524 5.015 1.00 0.00 C ATOM 0 H LEU A 39 0.683 4.021 5.666 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.302 5.367 3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.838 6.764 4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.703 7.192 6.223 1.00 0.00 H new ATOM 0 HG LEU A 39 0.628 8.432 4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.498 9.177 2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.181 7.426 2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.823 8.038 2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.876 10.419 4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.226 9.383 4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.834 9.637 6.053 1.00 0.00 H new ATOM 611 N ALA A 40 2.068 6.467 3.581 1.00 0.00 N ATOM 612 CA ALA A 40 3.445 6.927 3.415 1.00 0.00 C ATOM 613 C ALA A 40 3.560 7.516 2.005 1.00 0.00 C ATOM 614 O ALA A 40 3.980 6.806 1.092 1.00 0.00 O ATOM 615 CB ALA A 40 4.453 5.796 3.656 1.00 0.00 C ATOM 0 H ALA A 40 1.564 6.369 2.700 1.00 0.00 H new ATOM 0 HA ALA A 40 3.685 7.689 4.156 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.466 6.177 3.523 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.338 5.416 4.671 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.272 4.990 2.945 1.00 0.00 H new ATOM 621 N PRO A 41 3.169 8.778 1.780 1.00 0.00 N ATOM 622 CA PRO A 41 3.232 9.366 0.456 1.00 0.00 C ATOM 623 C PRO A 41 4.679 9.460 -0.008 1.00 0.00 C ATOM 624 O PRO A 41 5.587 9.741 0.781 1.00 0.00 O ATOM 625 CB PRO A 41 2.549 10.734 0.568 1.00 0.00 C ATOM 626 CG PRO A 41 2.705 11.087 2.042 1.00 0.00 C ATOM 627 CD PRO A 41 2.674 9.734 2.749 1.00 0.00 C ATOM 0 HA PRO A 41 2.723 8.761 -0.295 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.025 11.474 -0.075 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.500 10.685 0.275 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.640 11.614 2.230 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.899 11.736 2.385 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.297 9.744 3.643 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.663 9.481 3.068 1.00 0.00 H new ATOM 635 N LEU A 42 4.888 9.293 -1.315 1.00 0.00 N ATOM 636 CA LEU A 42 6.215 9.357 -1.917 1.00 0.00 C ATOM 637 C LEU A 42 6.891 10.694 -1.585 1.00 0.00 C ATOM 638 O LEU A 42 8.107 10.749 -1.457 1.00 0.00 O ATOM 639 CB LEU A 42 6.123 9.117 -3.431 1.00 0.00 C ATOM 640 CG LEU A 42 7.253 8.319 -4.125 1.00 0.00 C ATOM 641 CD1 LEU A 42 8.562 8.157 -3.354 1.00 0.00 C ATOM 642 CD2 LEU A 42 6.745 6.920 -4.467 1.00 0.00 C ATOM 0 H LEU A 42 4.140 9.110 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 42 6.838 8.567 -1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.184 8.600 -3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.059 10.090 -3.917 1.00 0.00 H new ATOM 0 HG LEU A 42 7.499 8.925 -4.997 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.267 7.579 -3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.984 9.140 -3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.370 7.636 -2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.538 6.354 -4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.445 6.408 -3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.889 6.998 -5.137 1.00 0.00 H new ATOM 654 N SER A 43 6.138 11.784 -1.416 1.00 0.00 N ATOM 655 CA SER A 43 6.696 13.089 -1.075 1.00 0.00 C ATOM 656 C SER A 43 7.387 13.065 0.300 1.00 0.00 C ATOM 657 O SER A 43 8.282 13.874 0.533 1.00 0.00 O ATOM 658 CB SER A 43 5.582 14.146 -1.149 1.00 0.00 C ATOM 659 OG SER A 43 6.050 15.478 -1.103 1.00 0.00 O ATOM 0 H SER A 43 5.123 11.783 -1.513 1.00 0.00 H new ATOM 0 HA SER A 43 7.471 13.351 -1.795 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.019 14.001 -2.071 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.889 13.987 -0.323 1.00 0.00 H new ATOM 0 HG SER A 43 5.290 16.094 -1.156 1.00 0.00 H new ATOM 665 N VAL A 44 7.006 12.171 1.219 1.00 0.00 N ATOM 666 CA VAL A 44 7.635 12.097 2.541 1.00 0.00 C ATOM 667 C VAL A 44 8.802 11.118 2.447 1.00 0.00 C ATOM 668 O VAL A 44 9.856 11.340 3.039 1.00 0.00 O ATOM 669 CB VAL A 44 6.586 11.703 3.604 1.00 0.00 C ATOM 670 CG1 VAL A 44 7.204 11.399 4.978 1.00 0.00 C ATOM 671 CG2 VAL A 44 5.579 12.849 3.785 1.00 0.00 C ATOM 0 H VAL A 44 6.264 11.488 1.070 1.00 0.00 H new ATOM 0 HA VAL A 44 8.028 13.064 2.856 1.00 0.00 H new ATOM 0 HB VAL A 44 6.105 10.796 3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.415 11.129 5.680 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.907 10.571 4.886 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.729 12.281 5.344 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.840 12.569 4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.104 13.747 4.111 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.077 13.046 2.837 1.00 0.00 H new ATOM 681 N LEU A 45 8.642 10.052 1.667 1.00 0.00 N ATOM 682 CA LEU A 45 9.642 9.019 1.453 1.00 0.00 C ATOM 683 C LEU A 45 10.879 9.590 0.780 1.00 0.00 C ATOM 684 O LEU A 45 11.988 9.458 1.287 1.00 0.00 O ATOM 685 CB LEU A 45 9.013 7.931 0.597 1.00 0.00 C ATOM 686 CG LEU A 45 7.939 7.136 1.360 1.00 0.00 C ATOM 687 CD1 LEU A 45 7.297 6.167 0.383 1.00 0.00 C ATOM 688 CD2 LEU A 45 8.500 6.385 2.571 1.00 0.00 C ATOM 0 H LEU A 45 7.780 9.881 1.150 1.00 0.00 H new ATOM 0 HA LEU A 45 9.962 8.606 2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.567 8.382 -0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.790 7.249 0.251 1.00 0.00 H new ATOM 0 HG LEU A 45 7.205 7.836 1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.529 5.588 0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.844 6.724 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.056 5.493 -0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.695 5.843 3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.262 5.679 2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.943 7.097 3.268 1.00 0.00 H new ATOM 700 N GLU A 46 10.693 10.269 -0.342 1.00 0.00 N ATOM 701 CA GLU A 46 11.776 10.904 -1.085 1.00 0.00 C ATOM 702 C GLU A 46 12.574 11.865 -0.193 1.00 0.00 C ATOM 703 O GLU A 46 13.747 12.106 -0.474 1.00 0.00 O ATOM 704 CB GLU A 46 11.206 11.638 -2.304 1.00 0.00 C ATOM 705 CG GLU A 46 11.134 10.693 -3.512 1.00 0.00 C ATOM 706 CD GLU A 46 12.271 10.972 -4.491 1.00 0.00 C ATOM 707 OE1 GLU A 46 13.428 10.620 -4.171 1.00 0.00 O ATOM 708 OE2 GLU A 46 11.992 11.526 -5.581 1.00 0.00 O ATOM 0 H GLU A 46 9.776 10.397 -0.769 1.00 0.00 H new ATOM 0 HA GLU A 46 12.463 10.130 -1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.212 12.021 -2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.831 12.498 -2.544 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.187 9.658 -3.173 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.176 10.815 -4.017 1.00 0.00 H new ATOM 715 N GLN A 47 11.961 12.437 0.849 1.00 0.00 N ATOM 716 CA GLN A 47 12.606 13.339 1.790 1.00 0.00 C ATOM 717 C GLN A 47 13.187 12.528 2.960 1.00 0.00 C ATOM 718 O GLN A 47 14.390 12.265 3.009 1.00 0.00 O ATOM 719 CB GLN A 47 11.608 14.394 2.308 1.00 0.00 C ATOM 720 CG GLN A 47 11.199 15.461 1.287 1.00 0.00 C ATOM 721 CD GLN A 47 10.269 16.467 1.968 1.00 0.00 C ATOM 722 OE1 GLN A 47 10.716 17.399 2.634 1.00 0.00 O ATOM 723 NE2 GLN A 47 8.967 16.247 1.914 1.00 0.00 N ATOM 0 H GLN A 47 10.976 12.277 1.061 1.00 0.00 H new ATOM 0 HA GLN A 47 13.414 13.864 1.280 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.710 13.882 2.655 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.046 14.891 3.174 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.082 15.968 0.897 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.696 14.998 0.438 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.603 15.472 1.359 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.326 16.852 2.427 1.00 0.00 H new ATOM 732 N SER A 48 12.331 12.157 3.912 1.00 0.00 N ATOM 733 CA SER A 48 12.607 11.427 5.135 1.00 0.00 C ATOM 734 C SER A 48 12.807 9.917 4.989 1.00 0.00 C ATOM 735 O SER A 48 13.592 9.340 5.748 1.00 0.00 O ATOM 736 CB SER A 48 11.428 11.697 6.074 1.00 0.00 C ATOM 737 OG SER A 48 11.759 11.316 7.390 1.00 0.00 O ATOM 0 H SER A 48 11.340 12.383 3.833 1.00 0.00 H new ATOM 0 HA SER A 48 13.566 11.782 5.511 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.168 12.755 6.048 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.551 11.145 5.737 1.00 0.00 H new ATOM 0 HG SER A 48 10.999 11.494 7.983 1.00 0.00 H new ATOM 743 N GLY A 49 12.131 9.256 4.054 1.00 0.00 N ATOM 744 CA GLY A 49 12.268 7.817 3.882 1.00 0.00 C ATOM 745 C GLY A 49 11.302 7.076 4.798 1.00 0.00 C ATOM 746 O GLY A 49 10.625 7.676 5.634 1.00 0.00 O ATOM 0 H GLY A 49 11.481 9.697 3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.072 7.549 2.844 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.292 7.514 4.102 1.00 0.00 H new ATOM 750 N LEU A 50 11.222 5.756 4.631 1.00 0.00 N ATOM 751 CA LEU A 50 10.335 4.914 5.428 1.00 0.00 C ATOM 752 C LEU A 50 10.757 4.979 6.907 1.00 0.00 C ATOM 753 O LEU A 50 11.960 4.912 7.188 1.00 0.00 O ATOM 754 CB LEU A 50 10.387 3.477 4.887 1.00 0.00 C ATOM 755 CG LEU A 50 9.324 2.549 5.499 1.00 0.00 C ATOM 756 CD1 LEU A 50 7.924 2.791 4.921 1.00 0.00 C ATOM 757 CD2 LEU A 50 9.702 1.101 5.206 1.00 0.00 C ATOM 0 H LEU A 50 11.770 5.243 3.940 1.00 0.00 H new ATOM 0 HA LEU A 50 9.307 5.269 5.358 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.257 3.500 3.805 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.376 3.060 5.081 1.00 0.00 H new ATOM 0 HG LEU A 50 9.295 2.757 6.568 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.214 2.109 5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.622 3.820 5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.939 2.617 3.845 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.954 0.435 5.636 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.747 0.948 4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.676 0.883 5.644 1.00 0.00 H new ATOM 769 N PRO A 51 9.824 5.106 7.865 1.00 0.00 N ATOM 770 CA PRO A 51 10.144 5.173 9.282 1.00 0.00 C ATOM 771 C PRO A 51 10.485 3.796 9.847 1.00 0.00 C ATOM 772 O PRO A 51 10.012 2.763 9.369 1.00 0.00 O ATOM 773 CB PRO A 51 8.873 5.688 9.960 1.00 0.00 C ATOM 774 CG PRO A 51 7.752 5.220 9.045 1.00 0.00 C ATOM 775 CD PRO A 51 8.390 5.205 7.661 1.00 0.00 C ATOM 0 HA PRO A 51 11.010 5.813 9.451 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.764 5.281 10.965 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.883 6.774 10.055 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.391 4.232 9.329 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.897 5.895 9.083 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.023 4.363 7.075 1.00 0.00 H new ATOM 0 HD3 PRO A 51 8.139 6.111 7.109 1.00 0.00 H new ATOM 783 N ALA A 52 11.192 3.793 10.977 1.00 0.00 N ATOM 784 CA ALA A 52 11.607 2.593 11.696 1.00 0.00 C ATOM 785 C ALA A 52 10.428 1.788 12.289 1.00 0.00 C ATOM 786 O ALA A 52 10.651 0.774 12.950 1.00 0.00 O ATOM 787 CB ALA A 52 12.593 3.006 12.789 1.00 0.00 C ATOM 0 H ALA A 52 11.500 4.654 11.430 1.00 0.00 H new ATOM 0 HA ALA A 52 12.081 1.919 10.982 1.00 0.00 H new ATOM 0 HB1 ALA A 52 12.917 2.123 13.340 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.459 3.488 12.335 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.108 3.702 13.473 1.00 0.00 H new ATOM 793 N LYS A 53 9.185 2.239 12.097 1.00 0.00 N ATOM 794 CA LYS A 53 7.934 1.636 12.555 1.00 0.00 C ATOM 795 C LYS A 53 7.200 0.886 11.453 1.00 0.00 C ATOM 796 O LYS A 53 6.420 -0.016 11.755 1.00 0.00 O ATOM 797 CB LYS A 53 6.996 2.761 13.031 1.00 0.00 C ATOM 798 CG LYS A 53 7.610 3.650 14.113 1.00 0.00 C ATOM 799 CD LYS A 53 7.959 2.809 15.341 1.00 0.00 C ATOM 800 CE LYS A 53 8.433 3.652 16.522 1.00 0.00 C ATOM 801 NZ LYS A 53 9.822 4.125 16.357 1.00 0.00 N ATOM 0 H LYS A 53 9.017 3.101 11.578 1.00 0.00 H new ATOM 0 HA LYS A 53 8.190 0.931 13.346 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.721 3.380 12.177 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.076 2.319 13.414 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.506 4.139 13.729 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.910 4.439 14.389 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.084 2.232 15.641 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.737 2.093 15.076 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.772 4.510 16.640 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.359 3.064 17.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.096 4.692 17.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.459 3.308 16.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.890 4.709 15.499 1.00 0.00 H new ATOM 815 N LEU A 54 7.430 1.258 10.194 1.00 0.00 N ATOM 816 CA LEU A 54 6.761 0.628 9.048 1.00 0.00 C ATOM 817 C LEU A 54 7.665 -0.295 8.233 1.00 0.00 C ATOM 818 O LEU A 54 7.242 -0.787 7.193 1.00 0.00 O ATOM 819 CB LEU A 54 6.225 1.733 8.126 1.00 0.00 C ATOM 820 CG LEU A 54 5.173 2.655 8.755 1.00 0.00 C ATOM 821 CD1 LEU A 54 4.841 3.762 7.752 1.00 0.00 C ATOM 822 CD2 LEU A 54 3.907 1.912 9.184 1.00 0.00 C ATOM 0 H LEU A 54 8.081 2.000 9.937 1.00 0.00 H new ATOM 0 HA LEU A 54 5.963 0.006 9.452 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.064 2.342 7.789 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.794 1.267 7.240 1.00 0.00 H new ATOM 0 HG LEU A 54 5.591 3.078 9.669 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.093 4.429 8.181 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.744 4.328 7.523 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.449 3.318 6.837 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.201 2.618 9.621 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.452 1.436 8.315 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.164 1.152 9.922 1.00 0.00 H new ATOM 834 N ARG A 55 8.909 -0.498 8.653 1.00 0.00 N ATOM 835 CA ARG A 55 9.906 -1.320 7.973 1.00 0.00 C ATOM 836 C ARG A 55 9.838 -2.805 8.317 1.00 0.00 C ATOM 837 O ARG A 55 10.883 -3.453 8.432 1.00 0.00 O ATOM 838 CB ARG A 55 11.306 -0.743 8.230 1.00 0.00 C ATOM 839 CG ARG A 55 11.769 -0.870 9.688 1.00 0.00 C ATOM 840 CD ARG A 55 13.281 -1.004 9.738 1.00 0.00 C ATOM 841 NE ARG A 55 13.965 0.147 9.144 1.00 0.00 N ATOM 842 CZ ARG A 55 15.275 0.208 8.911 1.00 0.00 C ATOM 843 NH1 ARG A 55 16.086 -0.816 9.147 1.00 0.00 N ATOM 844 NH2 ARG A 55 15.777 1.350 8.482 1.00 0.00 N ATOM 0 H ARG A 55 9.266 -0.078 9.511 1.00 0.00 H new ATOM 0 HA ARG A 55 9.678 -1.277 6.908 1.00 0.00 H new ATOM 0 HB2 ARG A 55 12.023 -1.252 7.585 1.00 0.00 H new ATOM 0 HB3 ARG A 55 11.313 0.309 7.946 1.00 0.00 H new ATOM 0 HG2 ARG A 55 11.453 0.005 10.257 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.302 -1.738 10.153 1.00 0.00 H new ATOM 0 HD2 ARG A 55 13.599 -1.116 10.775 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.580 -1.911 9.213 1.00 0.00 H new ATOM 0 HE ARG A 55 13.399 0.957 8.891 1.00 0.00 H new ATOM 0 HH11 ARG A 55 15.711 -1.688 9.520 1.00 0.00 H new ATOM 0 HH12 ARG A 55 17.084 -0.731 8.956 1.00 0.00 H new ATOM 0 HH21 ARG A 55 15.166 2.154 8.338 1.00 0.00 H new ATOM 0 HH22 ARG A 55 16.776 1.429 8.294 1.00 0.00 H new ATOM 858 N HIS A 56 8.640 -3.325 8.583 1.00 0.00 N ATOM 859 CA HIS A 56 8.525 -4.740 8.917 1.00 0.00 C ATOM 860 C HIS A 56 9.135 -5.587 7.787 1.00 0.00 C ATOM 861 O HIS A 56 9.205 -5.149 6.638 1.00 0.00 O ATOM 862 CB HIS A 56 7.099 -5.155 9.314 1.00 0.00 C ATOM 863 CG HIS A 56 7.066 -6.336 10.265 1.00 0.00 C ATOM 864 ND1 HIS A 56 8.126 -6.830 11.002 1.00 0.00 N ATOM 865 CD2 HIS A 56 5.975 -7.114 10.553 1.00 0.00 C ATOM 866 CE1 HIS A 56 7.697 -7.909 11.668 1.00 0.00 C ATOM 867 NE2 HIS A 56 6.388 -8.112 11.450 1.00 0.00 N ATOM 0 H HIS A 56 7.762 -2.806 8.574 1.00 0.00 H new ATOM 0 HA HIS A 56 9.104 -4.932 9.820 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.597 -4.307 9.780 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.536 -5.405 8.415 1.00 0.00 H new ATOM 0 HD2 HIS A 56 4.977 -6.983 10.161 1.00 0.00 H new ATOM 0 HE1 HIS A 56 8.319 -8.531 12.295 1.00 0.00 H new ATOM 0 HE2 HIS A 56 5.808 -8.846 11.856 1.00 0.00 H new ATOM 875 N GLU A 57 9.526 -6.820 8.107 1.00 0.00 N ATOM 876 CA GLU A 57 10.177 -7.756 7.195 1.00 0.00 C ATOM 877 C GLU A 57 9.504 -7.918 5.838 1.00 0.00 C ATOM 878 O GLU A 57 10.209 -8.195 4.867 1.00 0.00 O ATOM 879 CB GLU A 57 10.365 -9.124 7.864 1.00 0.00 C ATOM 880 CG GLU A 57 11.122 -9.070 9.196 1.00 0.00 C ATOM 881 CD GLU A 57 12.452 -8.325 9.072 1.00 0.00 C ATOM 882 OE1 GLU A 57 13.482 -8.962 8.761 1.00 0.00 O ATOM 883 OE2 GLU A 57 12.487 -7.101 9.335 1.00 0.00 O ATOM 0 H GLU A 57 9.393 -7.207 9.041 1.00 0.00 H new ATOM 0 HA GLU A 57 11.145 -7.304 6.980 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.386 -9.572 8.033 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.902 -9.781 7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.501 -8.580 9.946 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.307 -10.085 9.549 1.00 0.00 H new ATOM 890 N GLN A 58 8.180 -7.774 5.736 1.00 0.00 N ATOM 891 CA GLN A 58 7.458 -7.894 4.478 1.00 0.00 C ATOM 892 C GLN A 58 6.316 -6.907 4.500 1.00 0.00 C ATOM 893 O GLN A 58 5.496 -6.919 5.420 1.00 0.00 O ATOM 894 CB GLN A 58 6.950 -9.323 4.220 1.00 0.00 C ATOM 895 CG GLN A 58 8.017 -10.379 4.520 1.00 0.00 C ATOM 896 CD GLN A 58 7.707 -11.792 4.069 1.00 0.00 C ATOM 897 OE1 GLN A 58 6.648 -12.102 3.531 1.00 0.00 O ATOM 898 NE2 GLN A 58 8.679 -12.673 4.248 1.00 0.00 N ATOM 0 H GLN A 58 7.579 -7.569 6.534 1.00 0.00 H new ATOM 0 HA GLN A 58 8.140 -7.672 3.657 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.071 -9.511 4.837 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.635 -9.413 3.180 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.950 -10.067 4.050 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.191 -10.394 5.596 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.549 -12.388 4.698 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.558 -13.636 3.936 1.00 0.00 H new ATOM 907 N ILE A 59 6.281 -6.018 3.513 1.00 0.00 N ATOM 908 CA ILE A 59 5.248 -5.011 3.404 1.00 0.00 C ATOM 909 C ILE A 59 4.787 -4.937 1.950 1.00 0.00 C ATOM 910 O ILE A 59 5.452 -5.433 1.037 1.00 0.00 O ATOM 911 CB ILE A 59 5.713 -3.661 4.011 1.00 0.00 C ATOM 912 CG1 ILE A 59 6.415 -2.746 2.983 1.00 0.00 C ATOM 913 CG2 ILE A 59 6.552 -3.840 5.298 1.00 0.00 C ATOM 914 CD1 ILE A 59 6.997 -1.464 3.587 1.00 0.00 C ATOM 0 H ILE A 59 6.975 -5.981 2.766 1.00 0.00 H new ATOM 0 HA ILE A 59 4.376 -5.284 3.999 1.00 0.00 H new ATOM 0 HB ILE A 59 4.799 -3.145 4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.217 -3.306 2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.702 -2.477 2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.849 -2.862 5.677 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.957 -4.356 6.051 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.442 -4.428 5.073 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.473 -0.876 2.802 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.197 -0.881 4.043 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.736 -1.722 4.346 1.00 0.00 H new ATOM 926 N ILE A 60 3.655 -4.290 1.715 1.00 0.00 N ATOM 927 CA ILE A 60 3.083 -4.120 0.388 1.00 0.00 C ATOM 928 C ILE A 60 2.920 -2.595 0.185 1.00 0.00 C ATOM 929 O ILE A 60 2.730 -1.861 1.159 1.00 0.00 O ATOM 930 CB ILE A 60 1.837 -5.041 0.308 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.182 -6.546 0.499 1.00 0.00 C ATOM 932 CG2 ILE A 60 1.108 -4.903 -1.022 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.543 -7.157 1.748 1.00 0.00 C ATOM 0 H ILE A 60 3.099 -3.861 2.454 1.00 0.00 H new ATOM 0 HA ILE A 60 3.684 -4.441 -0.463 1.00 0.00 H new ATOM 0 HB ILE A 60 1.198 -4.710 1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.852 -7.102 -0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.264 -6.659 0.560 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.243 -5.566 -1.033 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.777 -3.872 -1.150 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.782 -5.172 -1.836 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.823 -8.208 1.823 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.892 -6.625 2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.458 -7.074 1.679 1.00 0.00 H new ATOM 945 N PHE A 61 3.027 -2.111 -1.063 1.00 0.00 N ATOM 946 CA PHE A 61 2.941 -0.699 -1.464 1.00 0.00 C ATOM 947 C PHE A 61 1.765 -0.413 -2.391 1.00 0.00 C ATOM 948 O PHE A 61 1.910 -0.528 -3.613 1.00 0.00 O ATOM 949 CB PHE A 61 4.252 -0.304 -2.174 1.00 0.00 C ATOM 950 CG PHE A 61 5.456 -0.038 -1.295 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.307 0.465 0.013 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.747 -0.249 -1.818 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.434 0.714 0.803 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.877 0.034 -1.035 1.00 0.00 C ATOM 955 CZ PHE A 61 7.714 0.496 0.280 1.00 0.00 C ATOM 0 H PHE A 61 3.184 -2.727 -1.861 1.00 0.00 H new ATOM 0 HA PHE A 61 2.785 -0.112 -0.559 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.512 -1.099 -2.873 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.060 0.591 -2.766 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.320 0.659 0.406 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.867 -0.629 -2.822 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.317 1.074 1.815 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.868 -0.103 -1.443 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.583 0.685 0.893 1.00 0.00 H new ATOM 965 N HIS A 62 0.593 -0.082 -1.853 1.00 0.00 N ATOM 966 CA HIS A 62 -0.595 0.196 -2.664 1.00 0.00 C ATOM 967 C HIS A 62 -0.562 1.601 -3.280 1.00 0.00 C ATOM 968 O HIS A 62 -0.001 2.534 -2.696 1.00 0.00 O ATOM 969 CB HIS A 62 -1.855 0.007 -1.803 1.00 0.00 C ATOM 970 CG HIS A 62 -2.123 -1.426 -1.400 1.00 0.00 C ATOM 971 ND1 HIS A 62 -1.433 -2.537 -1.827 1.00 0.00 N ATOM 972 CD2 HIS A 62 -3.117 -1.876 -0.569 1.00 0.00 C ATOM 973 CE1 HIS A 62 -2.006 -3.621 -1.290 1.00 0.00 C ATOM 974 NE2 HIS A 62 -3.026 -3.267 -0.502 1.00 0.00 N ATOM 0 H HIS A 62 0.438 0.001 -0.848 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.610 -0.508 -3.496 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.760 0.614 -0.903 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.717 0.385 -2.353 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.843 -1.262 -0.057 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.689 -4.638 -1.468 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -3.621 -3.891 0.042 1.00 0.00 H new ATOM 982 N CYS A 63 -1.163 1.753 -4.466 1.00 0.00 N ATOM 983 CA CYS A 63 -1.279 3.003 -5.218 1.00 0.00 C ATOM 984 C CYS A 63 -2.754 3.262 -5.546 1.00 0.00 C ATOM 985 O CYS A 63 -3.616 2.431 -5.268 1.00 0.00 O ATOM 986 CB CYS A 63 -0.442 2.993 -6.501 1.00 0.00 C ATOM 987 SG CYS A 63 1.292 3.339 -6.116 1.00 0.00 S ATOM 0 H CYS A 63 -1.602 0.969 -4.948 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.888 3.806 -4.594 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.527 2.024 -6.992 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.823 3.738 -7.199 1.00 0.00 H new ATOM 0 HG CYS A 63 1.991 3.325 -7.212 1.00 0.00 H new ATOM 993 N GLN A 64 -3.034 4.419 -6.143 1.00 0.00 N ATOM 994 CA GLN A 64 -4.362 4.863 -6.519 1.00 0.00 C ATOM 995 C GLN A 64 -4.982 3.972 -7.586 1.00 0.00 C ATOM 996 O GLN A 64 -5.981 3.316 -7.301 1.00 0.00 O ATOM 997 CB GLN A 64 -4.289 6.330 -6.971 1.00 0.00 C ATOM 998 CG GLN A 64 -5.627 6.944 -7.397 1.00 0.00 C ATOM 999 CD GLN A 64 -5.437 8.399 -7.789 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -5.507 9.300 -6.961 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -5.164 8.680 -9.049 1.00 0.00 N ATOM 0 H GLN A 64 -2.309 5.095 -6.385 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.018 4.789 -5.651 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.876 6.925 -6.157 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.591 6.403 -7.805 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.041 6.385 -8.236 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.345 6.871 -6.580 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.106 7.930 -9.738 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.011 9.647 -9.334 1.00 0.00 H new ATOM 1087 N SER A 70 5.335 0.028 -9.012 1.00 0.00 N ATOM 1088 CA SER A 70 6.528 -0.496 -9.690 1.00 0.00 C ATOM 1089 C SER A 70 7.352 0.578 -10.418 1.00 0.00 C ATOM 1090 O SER A 70 8.575 0.478 -10.459 1.00 0.00 O ATOM 1091 CB SER A 70 6.186 -1.618 -10.670 1.00 0.00 C ATOM 1092 OG SER A 70 5.251 -2.524 -10.130 1.00 0.00 O ATOM 0 HA SER A 70 7.145 -0.893 -8.884 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.786 -1.188 -11.588 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.096 -2.154 -10.940 1.00 0.00 H new ATOM 0 HG SER A 70 5.057 -3.225 -10.787 1.00 0.00 H new ATOM 1098 N ASN A 71 6.735 1.644 -10.926 1.00 0.00 N ATOM 1099 CA ASN A 71 7.420 2.725 -11.650 1.00 0.00 C ATOM 1100 C ASN A 71 8.505 3.444 -10.838 1.00 0.00 C ATOM 1101 O ASN A 71 9.358 4.106 -11.433 1.00 0.00 O ATOM 1102 CB ASN A 71 6.403 3.733 -12.207 1.00 0.00 C ATOM 1103 CG ASN A 71 5.983 3.423 -13.645 1.00 0.00 C ATOM 1104 OD1 ASN A 71 6.079 2.296 -14.129 1.00 0.00 O ATOM 1105 ND2 ASN A 71 5.536 4.431 -14.380 1.00 0.00 N ATOM 0 H ASN A 71 5.728 1.787 -10.847 1.00 0.00 H new ATOM 0 HA ASN A 71 7.945 2.239 -12.472 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.519 3.740 -11.569 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.832 4.734 -12.167 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.270 4.275 -15.352 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.458 5.363 -13.974 1.00 0.00 H new ATOM 1112 N ASN A 72 8.511 3.326 -9.509 1.00 0.00 N ATOM 1113 CA ASN A 72 9.493 3.935 -8.609 1.00 0.00 C ATOM 1114 C ASN A 72 10.303 2.844 -7.886 1.00 0.00 C ATOM 1115 O ASN A 72 11.069 3.187 -6.986 1.00 0.00 O ATOM 1116 CB ASN A 72 8.830 4.899 -7.598 1.00 0.00 C ATOM 1117 CG ASN A 72 8.296 6.189 -8.214 1.00 0.00 C ATOM 1118 OD1 ASN A 72 7.328 6.189 -8.970 1.00 0.00 O ATOM 1119 ND2 ASN A 72 8.883 7.327 -7.877 1.00 0.00 N ATOM 0 H ASN A 72 7.806 2.783 -9.011 1.00 0.00 H new ATOM 0 HA ASN A 72 10.175 4.532 -9.215 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.009 4.380 -7.104 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.557 5.153 -6.826 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.532 8.211 -8.246 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.686 7.320 -7.249 1.00 0.00 H new ATOM 1126 N ALA A 73 10.142 1.559 -8.255 1.00 0.00 N ATOM 1127 CA ALA A 73 10.797 0.362 -7.714 1.00 0.00 C ATOM 1128 C ALA A 73 12.267 0.600 -7.410 1.00 0.00 C ATOM 1129 O ALA A 73 12.744 0.187 -6.359 1.00 0.00 O ATOM 1130 CB ALA A 73 10.681 -0.793 -8.719 1.00 0.00 C ATOM 0 H ALA A 73 9.494 1.315 -9.004 1.00 0.00 H new ATOM 0 HA ALA A 73 10.292 0.113 -6.781 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.169 -1.679 -8.313 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.629 -1.010 -8.904 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.163 -0.511 -9.655 1.00 0.00 H new ATOM 1136 N ASP A 74 12.923 1.295 -8.334 1.00 0.00 N ATOM 1137 CA ASP A 74 14.318 1.699 -8.360 1.00 0.00 C ATOM 1138 C ASP A 74 14.787 2.154 -6.982 1.00 0.00 C ATOM 1139 O ASP A 74 15.818 1.689 -6.501 1.00 0.00 O ATOM 1140 CB ASP A 74 14.412 2.796 -9.427 1.00 0.00 C ATOM 1141 CG ASP A 74 15.826 3.093 -9.897 1.00 0.00 C ATOM 1142 OD1 ASP A 74 16.091 4.263 -10.244 1.00 0.00 O ATOM 1143 OD2 ASP A 74 16.549 2.124 -10.215 1.00 0.00 O ATOM 0 H ASP A 74 12.436 1.621 -9.169 1.00 0.00 H new ATOM 0 HA ASP A 74 14.982 0.873 -8.613 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.810 2.502 -10.287 1.00 0.00 H new ATOM 0 HB3 ASP A 74 13.974 3.712 -9.029 1.00 0.00 H new ATOM 1148 N LYS A 75 14.002 3.026 -6.338 1.00 0.00 N ATOM 1149 CA LYS A 75 14.298 3.535 -4.996 1.00 0.00 C ATOM 1150 C LYS A 75 13.361 2.906 -3.994 1.00 0.00 C ATOM 1151 O LYS A 75 13.812 2.594 -2.902 1.00 0.00 O ATOM 1152 CB LYS A 75 14.200 5.055 -4.836 1.00 0.00 C ATOM 1153 CG LYS A 75 14.778 5.840 -6.010 1.00 0.00 C ATOM 1154 CD LYS A 75 13.712 6.028 -7.103 1.00 0.00 C ATOM 1155 CE LYS A 75 13.523 7.518 -7.417 1.00 0.00 C ATOM 1156 NZ LYS A 75 14.745 8.111 -8.003 1.00 0.00 N ATOM 0 H LYS A 75 13.140 3.399 -6.736 1.00 0.00 H new ATOM 0 HA LYS A 75 15.340 3.267 -4.823 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.153 5.330 -4.708 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.720 5.349 -3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.132 6.812 -5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.640 5.313 -6.420 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.010 5.495 -8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.766 5.596 -6.775 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.690 7.642 -8.109 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.261 8.052 -6.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.514 9.029 -8.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.457 8.247 -7.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.125 7.474 -8.732 1.00 0.00 H new ATOM 1170 N LEU A 76 12.087 2.684 -4.353 1.00 0.00 N ATOM 1171 CA LEU A 76 11.119 2.066 -3.427 1.00 0.00 C ATOM 1172 C LEU A 76 11.703 0.816 -2.758 1.00 0.00 C ATOM 1173 O LEU A 76 11.481 0.607 -1.564 1.00 0.00 O ATOM 1174 CB LEU A 76 9.786 1.683 -4.089 1.00 0.00 C ATOM 1175 CG LEU A 76 8.801 2.810 -4.433 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.568 2.155 -5.062 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.303 3.617 -3.238 1.00 0.00 C ATOM 0 H LEU A 76 11.704 2.920 -5.268 1.00 0.00 H new ATOM 0 HA LEU A 76 10.916 2.837 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.013 1.145 -5.010 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.275 0.983 -3.429 1.00 0.00 H new ATOM 0 HG LEU A 76 9.336 3.501 -5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.840 2.924 -5.322 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.862 1.614 -5.962 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.122 1.460 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.614 4.388 -3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.789 2.955 -2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.150 4.085 -2.737 1.00 0.00 H new ATOM 1189 N ALA A 77 12.428 -0.012 -3.521 1.00 0.00 N ATOM 1190 CA ALA A 77 13.071 -1.218 -3.011 1.00 0.00 C ATOM 1191 C ALA A 77 14.054 -0.822 -1.901 1.00 0.00 C ATOM 1192 O ALA A 77 13.964 -1.340 -0.797 1.00 0.00 O ATOM 1193 CB ALA A 77 13.846 -1.920 -4.138 1.00 0.00 C ATOM 0 H ALA A 77 12.583 0.142 -4.517 1.00 0.00 H new ATOM 0 HA ALA A 77 12.311 -1.896 -2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.322 -2.819 -3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.158 -2.193 -4.938 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.608 -1.247 -4.529 1.00 0.00 H new ATOM 1199 N ALA A 78 15.002 0.074 -2.199 1.00 0.00 N ATOM 1200 CA ALA A 78 16.029 0.556 -1.274 1.00 0.00 C ATOM 1201 C ALA A 78 15.442 1.247 -0.040 1.00 0.00 C ATOM 1202 O ALA A 78 15.947 1.058 1.063 1.00 0.00 O ATOM 1203 CB ALA A 78 16.968 1.518 -2.011 1.00 0.00 C ATOM 0 H ALA A 78 15.076 0.497 -3.124 1.00 0.00 H new ATOM 0 HA ALA A 78 16.578 -0.315 -0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.733 1.878 -1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.443 0.997 -2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.396 2.364 -2.392 1.00 0.00 H new ATOM 1209 N ILE A 79 14.378 2.035 -0.216 1.00 0.00 N ATOM 1210 CA ILE A 79 13.696 2.762 0.849 1.00 0.00 C ATOM 1211 C ILE A 79 13.174 1.767 1.903 1.00 0.00 C ATOM 1212 O ILE A 79 13.176 2.083 3.095 1.00 0.00 O ATOM 1213 CB ILE A 79 12.575 3.641 0.231 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.131 4.858 -0.541 1.00 0.00 C ATOM 1215 CG2 ILE A 79 11.591 4.164 1.293 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.103 5.559 -1.450 1.00 0.00 C ATOM 0 H ILE A 79 13.957 2.187 -1.133 1.00 0.00 H new ATOM 0 HA ILE A 79 14.384 3.433 1.364 1.00 0.00 H new ATOM 0 HB ILE A 79 12.054 2.980 -0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.517 5.582 0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 79 13.974 4.532 -1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.826 4.773 0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.119 3.321 1.798 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.130 4.768 2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.577 6.401 -1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.734 4.853 -2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.270 5.919 -0.847 1.00 0.00 H new ATOM 1228 N ALA A 80 12.726 0.583 1.483 1.00 0.00 N ATOM 1229 CA ALA A 80 12.195 -0.445 2.370 1.00 0.00 C ATOM 1230 C ALA A 80 13.228 -1.481 2.827 1.00 0.00 C ATOM 1231 O ALA A 80 13.156 -1.955 3.966 1.00 0.00 O ATOM 1232 CB ALA A 80 11.090 -1.167 1.604 1.00 0.00 C ATOM 0 H ALA A 80 12.723 0.310 0.500 1.00 0.00 H new ATOM 0 HA ALA A 80 11.845 0.050 3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.662 -1.948 2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.312 -0.455 1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.506 -1.614 0.701 1.00 0.00 H new ATOM 1238 N ALA A 81 14.151 -1.861 1.946 1.00 0.00 N ATOM 1239 CA ALA A 81 15.173 -2.852 2.225 1.00 0.00 C ATOM 1240 C ALA A 81 16.032 -2.462 3.436 1.00 0.00 C ATOM 1241 O ALA A 81 16.334 -1.277 3.606 1.00 0.00 O ATOM 1242 CB ALA A 81 16.054 -3.050 0.985 1.00 0.00 C ATOM 0 H ALA A 81 14.205 -1.478 1.002 1.00 0.00 H new ATOM 0 HA ALA A 81 14.675 -3.790 2.471 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.820 -3.795 1.198 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.439 -3.391 0.152 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.530 -2.105 0.722 1.00 0.00 H new ATOM 1248 N PRO A 82 16.500 -3.432 4.242 1.00 0.00 N ATOM 1249 CA PRO A 82 16.278 -4.872 4.130 1.00 0.00 C ATOM 1250 C PRO A 82 14.862 -5.234 4.597 1.00 0.00 C ATOM 1251 O PRO A 82 14.524 -4.965 5.748 1.00 0.00 O ATOM 1252 CB PRO A 82 17.336 -5.504 5.038 1.00 0.00 C ATOM 1253 CG PRO A 82 17.571 -4.452 6.120 1.00 0.00 C ATOM 1254 CD PRO A 82 17.393 -3.148 5.349 1.00 0.00 C ATOM 0 HA PRO A 82 16.362 -5.227 3.103 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.986 -6.444 5.465 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.252 -5.724 4.490 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.855 -4.542 6.937 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.566 -4.533 6.557 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.976 -2.373 5.992 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.353 -2.780 4.986 1.00 0.00 H new ATOM 1262 N ALA A 83 14.065 -5.824 3.698 1.00 0.00 N ATOM 1263 CA ALA A 83 12.685 -6.284 3.822 1.00 0.00 C ATOM 1264 C ALA A 83 12.128 -6.473 2.402 1.00 0.00 C ATOM 1265 O ALA A 83 12.718 -6.010 1.417 1.00 0.00 O ATOM 1266 CB ALA A 83 11.824 -5.325 4.645 1.00 0.00 C ATOM 0 H ALA A 83 14.417 -6.010 2.759 1.00 0.00 H new ATOM 0 HA ALA A 83 12.662 -7.229 4.365 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.807 -5.712 4.708 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.240 -5.233 5.648 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.811 -4.346 4.166 1.00 0.00 H new ATOM 1272 N GLU A 84 10.973 -7.126 2.297 1.00 0.00 N ATOM 1273 CA GLU A 84 10.281 -7.426 1.049 1.00 0.00 C ATOM 1274 C GLU A 84 9.187 -6.397 0.777 1.00 0.00 C ATOM 1275 O GLU A 84 8.540 -5.912 1.710 1.00 0.00 O ATOM 1276 CB GLU A 84 9.711 -8.850 1.124 1.00 0.00 C ATOM 1277 CG GLU A 84 10.717 -9.931 0.703 1.00 0.00 C ATOM 1278 CD GLU A 84 12.104 -9.753 1.332 1.00 0.00 C ATOM 1279 OE1 GLU A 84 13.003 -9.226 0.631 1.00 0.00 O ATOM 1280 OE2 GLU A 84 12.277 -10.136 2.506 1.00 0.00 O ATOM 0 H GLU A 84 10.474 -7.475 3.115 1.00 0.00 H new ATOM 0 HA GLU A 84 10.983 -7.372 0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.381 -9.048 2.144 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.830 -8.915 0.485 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.324 -10.909 0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.815 -9.922 -0.383 1.00 0.00 H new ATOM 1287 N ILE A 85 8.962 -6.102 -0.508 1.00 0.00 N ATOM 1288 CA ILE A 85 7.989 -5.152 -1.018 1.00 0.00 C ATOM 1289 C ILE A 85 7.189 -5.771 -2.176 1.00 0.00 C ATOM 1290 O ILE A 85 7.774 -6.446 -3.026 1.00 0.00 O ATOM 1291 CB ILE A 85 8.671 -3.822 -1.393 1.00 0.00 C ATOM 1292 CG1 ILE A 85 10.008 -3.948 -2.156 1.00 0.00 C ATOM 1293 CG2 ILE A 85 8.820 -2.978 -0.123 1.00 0.00 C ATOM 1294 CD1 ILE A 85 11.267 -4.163 -1.308 1.00 0.00 C ATOM 0 H ILE A 85 9.489 -6.551 -1.257 1.00 0.00 H new ATOM 0 HA ILE A 85 7.269 -4.917 -0.234 1.00 0.00 H new ATOM 0 HB ILE A 85 8.021 -3.330 -2.116 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.923 -4.779 -2.856 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.148 -3.044 -2.749 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.301 -2.032 -0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 85 7.835 -2.784 0.303 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.429 -3.517 0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.137 -4.235 -1.960 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.394 -3.323 -0.626 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.166 -5.084 -0.734 1.00 0.00 H new ATOM 1306 N PHE A 86 5.875 -5.521 -2.254 1.00 0.00 N ATOM 1307 CA PHE A 86 4.996 -6.064 -3.308 1.00 0.00 C ATOM 1308 C PHE A 86 3.970 -5.037 -3.814 1.00 0.00 C ATOM 1309 O PHE A 86 3.667 -4.058 -3.121 1.00 0.00 O ATOM 1310 CB PHE A 86 4.250 -7.307 -2.791 1.00 0.00 C ATOM 1311 CG PHE A 86 5.137 -8.463 -2.367 1.00 0.00 C ATOM 1312 CD1 PHE A 86 5.546 -8.572 -1.024 1.00 0.00 C ATOM 1313 CD2 PHE A 86 5.539 -9.439 -3.303 1.00 0.00 C ATOM 1314 CE1 PHE A 86 6.367 -9.637 -0.618 1.00 0.00 C ATOM 1315 CE2 PHE A 86 6.376 -10.494 -2.897 1.00 0.00 C ATOM 1316 CZ PHE A 86 6.792 -10.593 -1.557 1.00 0.00 C ATOM 0 H PHE A 86 5.384 -4.931 -1.582 1.00 0.00 H new ATOM 0 HA PHE A 86 5.642 -6.329 -4.145 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.632 -7.013 -1.942 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.574 -7.656 -3.571 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.227 -7.834 -0.303 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.205 -9.376 -4.328 1.00 0.00 H new ATOM 0 HE1 PHE A 86 6.671 -9.721 0.415 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.700 -11.231 -3.617 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.437 -11.403 -1.250 1.00 0.00 H new ATOM 1326 N LEU A 87 3.396 -5.268 -5.003 1.00 0.00 N ATOM 1327 CA LEU A 87 2.408 -4.429 -5.668 1.00 0.00 C ATOM 1328 C LEU A 87 1.030 -5.088 -5.726 1.00 0.00 C ATOM 1329 O LEU A 87 0.937 -6.304 -5.857 1.00 0.00 O ATOM 1330 CB LEU A 87 2.857 -4.121 -7.091 1.00 0.00 C ATOM 1331 CG LEU A 87 4.174 -3.359 -7.229 1.00 0.00 C ATOM 1332 CD1 LEU A 87 4.484 -2.351 -6.118 1.00 0.00 C ATOM 1333 CD2 LEU A 87 5.399 -4.236 -7.484 1.00 0.00 C ATOM 0 H LEU A 87 3.627 -6.096 -5.553 1.00 0.00 H new ATOM 0 HA LEU A 87 2.327 -3.514 -5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.946 -5.062 -7.634 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.073 -3.543 -7.581 1.00 0.00 H new ATOM 0 HG LEU A 87 3.976 -2.782 -8.132 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.441 -1.870 -6.319 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.699 -1.596 -6.083 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.532 -2.869 -5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.285 -3.607 -7.568 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.526 -4.934 -6.656 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.261 -4.794 -8.410 1.00 0.00 H new ATOM 1345 N LEU A 88 -0.015 -4.258 -5.701 1.00 0.00 N ATOM 1346 CA LEU A 88 -1.424 -4.631 -5.731 1.00 0.00 C ATOM 1347 C LEU A 88 -1.996 -4.460 -7.121 1.00 0.00 C ATOM 1348 O LEU A 88 -1.630 -3.520 -7.836 1.00 0.00 O ATOM 1349 CB LEU A 88 -2.208 -3.747 -4.743 1.00 0.00 C ATOM 1350 CG LEU A 88 -3.752 -3.656 -4.869 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -4.496 -4.945 -4.507 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -4.273 -2.574 -3.921 1.00 0.00 C ATOM 0 H LEU A 88 0.112 -3.247 -5.657 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.512 -5.679 -5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.981 -4.099 -3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.812 -2.735 -4.823 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.941 -3.439 -5.920 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.569 -4.791 -4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.171 -5.750 -5.166 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.278 -5.213 -3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.358 -2.507 -4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.005 -2.829 -2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.828 -1.614 -4.185 1.00 0.00 H new ATOM 1364 N GLU A 89 -2.956 -5.326 -7.416 1.00 0.00 N ATOM 1365 CA GLU A 89 -3.752 -5.487 -8.597 1.00 0.00 C ATOM 1366 C GLU A 89 -4.374 -4.161 -9.012 1.00 0.00 C ATOM 1367 O GLU A 89 -5.446 -3.747 -8.577 1.00 0.00 O ATOM 1368 CB GLU A 89 -4.795 -6.589 -8.381 1.00 0.00 C ATOM 1369 CG GLU A 89 -5.515 -6.942 -9.689 1.00 0.00 C ATOM 1370 CD GLU A 89 -4.557 -7.556 -10.718 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -3.875 -6.806 -11.461 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -4.484 -8.802 -10.785 1.00 0.00 O ATOM 0 H GLU A 89 -3.221 -6.026 -6.723 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.115 -5.803 -9.423 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.309 -7.478 -7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -5.524 -6.262 -7.639 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.323 -7.643 -9.481 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.971 -6.044 -10.107 1.00 0.00 H new ATOM 1379 N ASP A 90 -3.630 -3.515 -9.885 1.00 0.00 N ATOM 1380 CA ASP A 90 -3.853 -2.241 -10.557 1.00 0.00 C ATOM 1381 C ASP A 90 -4.122 -1.008 -9.685 1.00 0.00 C ATOM 1382 O ASP A 90 -4.133 0.089 -10.246 1.00 0.00 O ATOM 1383 CB ASP A 90 -4.914 -2.410 -11.665 1.00 0.00 C ATOM 1384 CG ASP A 90 -4.305 -2.878 -12.984 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -4.857 -3.802 -13.622 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -3.315 -2.252 -13.435 1.00 0.00 O ATOM 0 H ASP A 90 -2.741 -3.918 -10.181 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.881 -1.995 -10.984 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.665 -3.129 -11.339 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.428 -1.461 -11.821 1.00 0.00 H new ATOM 1391 N GLY A 91 -4.273 -1.103 -8.360 1.00 0.00 N ATOM 1392 CA GLY A 91 -4.515 0.035 -7.466 1.00 0.00 C ATOM 1393 C GLY A 91 -5.542 -0.293 -6.389 1.00 0.00 C ATOM 1394 O GLY A 91 -5.949 -1.446 -6.270 1.00 0.00 O ATOM 0 H GLY A 91 -4.229 -1.995 -7.867 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.578 0.332 -6.995 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.862 0.887 -8.050 1.00 0.00 H new ATOM 1398 N ILE A 92 -5.989 0.705 -5.610 1.00 0.00 N ATOM 1399 CA ILE A 92 -6.988 0.520 -4.541 1.00 0.00 C ATOM 1400 C ILE A 92 -8.275 -0.102 -5.074 1.00 0.00 C ATOM 1401 O ILE A 92 -9.001 -0.770 -4.339 1.00 0.00 O ATOM 1402 CB ILE A 92 -7.128 1.782 -3.673 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -7.911 1.544 -2.360 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -7.548 3.083 -4.358 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -9.423 1.802 -2.399 1.00 0.00 C ATOM 0 H ILE A 92 -5.667 1.668 -5.703 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.631 -0.228 -3.833 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.083 1.969 -3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.751 0.511 -2.051 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.478 2.178 -1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.604 3.882 -3.619 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.815 3.345 -5.121 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.525 2.950 -4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.852 1.599 -1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.608 2.842 -2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.885 1.149 -3.139 1.00 0.00 H new ATOM 1417 N ASP A 93 -8.511 0.056 -6.372 1.00 0.00 N ATOM 1418 CA ASP A 93 -9.663 -0.550 -7.044 1.00 0.00 C ATOM 1419 C ASP A 93 -9.596 -2.059 -6.768 1.00 0.00 C ATOM 1420 O ASP A 93 -10.583 -2.631 -6.325 1.00 0.00 O ATOM 1421 CB ASP A 93 -9.687 -0.299 -8.554 1.00 0.00 C ATOM 1422 CG ASP A 93 -10.758 -1.177 -9.221 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -11.963 -0.951 -8.965 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -10.379 -2.090 -9.990 1.00 0.00 O ATOM 0 H ASP A 93 -7.913 0.605 -6.989 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.575 -0.097 -6.655 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -9.894 0.753 -8.752 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.709 -0.518 -8.982 1.00 0.00 H new ATOM 1429 N GLY A 94 -8.430 -2.701 -6.927 1.00 0.00 N ATOM 1430 CA GLY A 94 -8.228 -4.127 -6.674 1.00 0.00 C ATOM 1431 C GLY A 94 -8.653 -4.508 -5.254 1.00 0.00 C ATOM 1432 O GLY A 94 -9.205 -5.587 -5.041 1.00 0.00 O ATOM 0 H GLY A 94 -7.583 -2.228 -7.243 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.800 -4.711 -7.395 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.178 -4.379 -6.821 1.00 0.00 H new ATOM 1436 N TRP A 95 -8.420 -3.626 -4.274 1.00 0.00 N ATOM 1437 CA TRP A 95 -8.803 -3.846 -2.880 1.00 0.00 C ATOM 1438 C TRP A 95 -10.335 -3.937 -2.811 1.00 0.00 C ATOM 1439 O TRP A 95 -10.906 -4.802 -2.136 1.00 0.00 O ATOM 1440 CB TRP A 95 -8.226 -2.734 -1.989 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.240 -3.036 -0.526 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.251 -2.754 0.321 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -7.238 -3.737 0.270 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -8.942 -3.235 1.575 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -7.746 -3.919 1.588 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -5.958 -4.258 0.006 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -7.054 -4.649 2.568 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -5.262 -5.010 0.968 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -5.809 -5.215 2.243 1.00 0.00 C ATOM 0 H TRP A 95 -7.955 -2.732 -4.432 1.00 0.00 H new ATOM 0 HA TRP A 95 -8.390 -4.781 -2.502 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -7.199 -2.538 -2.296 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.791 -1.818 -2.163 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.160 -2.233 0.058 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -9.530 -3.100 2.397 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -5.501 -4.076 -0.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.472 -4.774 3.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.299 -5.433 0.724 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.275 -5.806 2.973 1.00 0.00 H new ATOM 1460 N LYS A 96 -11.019 -3.027 -3.516 1.00 0.00 N ATOM 1461 CA LYS A 96 -12.476 -2.984 -3.594 1.00 0.00 C ATOM 1462 C LYS A 96 -12.954 -4.227 -4.353 1.00 0.00 C ATOM 1463 O LYS A 96 -13.960 -4.810 -3.946 1.00 0.00 O ATOM 1464 CB LYS A 96 -12.950 -1.682 -4.266 1.00 0.00 C ATOM 1465 CG LYS A 96 -12.674 -0.430 -3.415 1.00 0.00 C ATOM 1466 CD LYS A 96 -12.727 0.863 -4.247 1.00 0.00 C ATOM 1467 CE LYS A 96 -13.017 2.068 -3.342 1.00 0.00 C ATOM 1468 NZ LYS A 96 -12.935 3.360 -4.052 1.00 0.00 N ATOM 0 H LYS A 96 -10.564 -2.290 -4.055 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.907 -2.990 -2.593 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.453 -1.576 -5.230 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -14.020 -1.751 -4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.406 -0.372 -2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.693 -0.519 -2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.779 1.009 -4.765 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.499 0.780 -5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.012 1.960 -2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.309 2.071 -2.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.140 4.134 -3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.978 3.482 -4.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.628 3.375 -4.827 1.00 0.00 H new ATOM 1482 N LYS A 97 -12.249 -4.679 -5.404 1.00 0.00 N ATOM 1483 CA LYS A 97 -12.607 -5.876 -6.178 1.00 0.00 C ATOM 1484 C LYS A 97 -12.566 -7.086 -5.248 1.00 0.00 C ATOM 1485 O LYS A 97 -13.527 -7.854 -5.228 1.00 0.00 O ATOM 1486 CB LYS A 97 -11.687 -6.101 -7.403 1.00 0.00 C ATOM 1487 CG LYS A 97 -11.589 -4.967 -8.444 1.00 0.00 C ATOM 1488 CD LYS A 97 -12.731 -4.846 -9.455 1.00 0.00 C ATOM 1489 CE LYS A 97 -14.056 -4.580 -8.745 1.00 0.00 C ATOM 1490 NZ LYS A 97 -15.117 -4.127 -9.657 1.00 0.00 N ATOM 0 H LYS A 97 -11.405 -4.217 -5.742 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.611 -5.733 -6.578 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.682 -6.306 -7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -12.027 -7.000 -7.917 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.511 -4.021 -7.907 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -10.659 -5.096 -8.998 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.519 -4.038 -10.155 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -12.804 -5.763 -10.040 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.381 -5.491 -8.242 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.903 -3.827 -7.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -15.991 -3.963 -9.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.824 -3.242 -10.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.287 -4.855 -10.380 1.00 0.00 H new ATOM 1504 N ALA A 98 -11.506 -7.244 -4.443 1.00 0.00 N ATOM 1505 CA ALA A 98 -11.386 -8.353 -3.494 1.00 0.00 C ATOM 1506 C ALA A 98 -12.516 -8.298 -2.450 1.00 0.00 C ATOM 1507 O ALA A 98 -12.810 -9.294 -1.788 1.00 0.00 O ATOM 1508 CB ALA A 98 -10.021 -8.303 -2.797 1.00 0.00 C ATOM 0 H ALA A 98 -10.710 -6.606 -4.433 1.00 0.00 H new ATOM 0 HA ALA A 98 -11.470 -9.290 -4.044 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.941 -9.132 -2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -9.229 -8.382 -3.542 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.921 -7.360 -2.260 1.00 0.00 H new ATOM 1514 N GLY A 99 -13.152 -7.133 -2.287 1.00 0.00 N ATOM 1515 CA GLY A 99 -14.248 -6.925 -1.365 1.00 0.00 C ATOM 1516 C GLY A 99 -13.797 -6.725 0.076 1.00 0.00 C ATOM 1517 O GLY A 99 -14.561 -6.943 1.018 1.00 0.00 O ATOM 0 H GLY A 99 -12.904 -6.294 -2.811 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.820 -6.053 -1.683 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.920 -7.782 -1.412 1.00 0.00 H new ATOM 1521 N LEU A 100 -12.545 -6.321 0.264 1.00 0.00 N ATOM 1522 CA LEU A 100 -11.941 -6.094 1.568 1.00 0.00 C ATOM 1523 C LEU A 100 -12.440 -4.770 2.179 1.00 0.00 C ATOM 1524 O LEU A 100 -12.928 -3.905 1.439 1.00 0.00 O ATOM 1525 CB LEU A 100 -10.422 -6.131 1.367 1.00 0.00 C ATOM 1526 CG LEU A 100 -9.901 -7.492 0.863 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -8.432 -7.354 0.471 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -10.098 -8.603 1.900 1.00 0.00 C ATOM 0 H LEU A 100 -11.906 -6.138 -0.510 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.227 -6.864 2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.139 -5.356 0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.933 -5.891 2.311 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.482 -7.783 -0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.059 -8.314 0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.335 -6.610 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.852 -7.039 1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.717 -9.544 1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.558 -8.349 2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.160 -8.708 2.124 1.00 0.00 H new ATOM 1540 N PRO A 101 -12.327 -4.579 3.509 1.00 0.00 N ATOM 1541 CA PRO A 101 -12.778 -3.365 4.188 1.00 0.00 C ATOM 1542 C PRO A 101 -11.906 -2.152 3.872 1.00 0.00 C ATOM 1543 O PRO A 101 -10.795 -2.272 3.357 1.00 0.00 O ATOM 1544 CB PRO A 101 -12.727 -3.687 5.682 1.00 0.00 C ATOM 1545 CG PRO A 101 -11.641 -4.755 5.786 1.00 0.00 C ATOM 1546 CD PRO A 101 -11.782 -5.525 4.475 1.00 0.00 C ATOM 0 HA PRO A 101 -13.779 -3.095 3.853 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.479 -2.805 6.273 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.687 -4.055 6.045 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.650 -4.313 5.889 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.793 -5.401 6.651 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.818 -5.910 4.143 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.443 -6.383 4.596 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.392 -0.963 4.215 1.00 0.00 N ATOM 1555 CA VAL A 102 -11.726 0.312 3.998 1.00 0.00 C ATOM 1556 C VAL A 102 -11.881 1.207 5.223 1.00 0.00 C ATOM 1557 O VAL A 102 -12.495 0.850 6.231 1.00 0.00 O ATOM 1558 CB VAL A 102 -12.278 1.007 2.732 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -11.622 0.448 1.466 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -13.805 0.952 2.663 1.00 0.00 C ATOM 0 H VAL A 102 -13.299 -0.860 4.671 1.00 0.00 H new ATOM 0 HA VAL A 102 -10.663 0.127 3.843 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.014 2.062 2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -12.029 0.955 0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.545 0.611 1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.824 -0.621 1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -14.147 1.453 1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.131 -0.088 2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -14.227 1.452 3.535 1.00 0.00 H new ATOM 1570 N ALA A 103 -11.253 2.371 5.143 1.00 0.00 N ATOM 1571 CA ALA A 103 -11.246 3.408 6.135 1.00 0.00 C ATOM 1572 C ALA A 103 -11.972 4.585 5.513 1.00 0.00 C ATOM 1573 O ALA A 103 -11.362 5.514 4.990 1.00 0.00 O ATOM 1574 CB ALA A 103 -9.822 3.700 6.581 1.00 0.00 C ATOM 0 H ALA A 103 -10.701 2.622 4.323 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.761 3.129 7.054 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.831 4.488 7.334 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.382 2.798 7.006 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.231 4.023 5.724 1.00 0.00 H new