USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 528 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 NoAdj-H: A 54 HIS HE2 : A 54 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 15 HIS : no HE2:sc= -6.43! C(o=-6.4!,f=-13!) USER MOD Set 1.2: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 13 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0355 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= -0.0801 USER MOD Single : A 23 HIS : no HD1:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 24 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-0.51) USER MOD Single : A 26 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.001) USER MOD Single : A 27 GLN : amide:sc= -0.749 K(o=-0.75,f=-1.3!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -2.72! C(o=-2.7!,f=-3.6!) USER MOD Single : A 39 SER OG : rot 180:sc=0.000585 USER MOD Single : A 45 ASN : amide:sc= 0.667 K(o=0.67,f=-8.3!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00363 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.0747) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 160:sc= -0.0273 (180deg=-0.534) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= -0.147 (180deg=-0.147) USER MOD Single : A 68 HIS : no HD1:sc= -0.15 K(o=-0.15,f=-0.69) USER MOD Single : A 70 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.75) USER MOD Single : A 71 SER OG : rot -56:sc= 0.21 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.123 -18.917 7.687 1.00 0.00 N ATOM 2 CA GLY A 1 2.616 -17.666 8.220 1.00 0.00 C ATOM 3 C GLY A 1 2.814 -17.552 9.719 1.00 0.00 C ATOM 4 O GLY A 1 1.872 -17.724 10.492 1.00 0.00 O ATOM 0 H1 GLY A 1 2.964 -18.946 6.660 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.142 -18.990 7.882 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.627 -19.713 8.137 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.118 -16.834 7.726 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.554 -17.580 7.989 1.00 0.00 H new ATOM 8 N SER A 2 4.044 -17.263 10.131 1.00 0.00 N ATOM 9 CA SER A 2 4.365 -17.131 11.547 1.00 0.00 C ATOM 10 C SER A 2 5.220 -15.893 11.798 1.00 0.00 C ATOM 11 O SER A 2 5.911 -15.410 10.901 1.00 0.00 O ATOM 12 CB SER A 2 5.097 -18.380 12.044 1.00 0.00 C ATOM 13 OG SER A 2 6.377 -18.492 11.447 1.00 0.00 O ATOM 0 H SER A 2 4.835 -17.116 9.504 1.00 0.00 H new ATOM 0 HA SER A 2 3.430 -17.023 12.097 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.200 -18.337 13.128 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.506 -19.267 11.815 1.00 0.00 H new ATOM 0 HG SER A 2 6.825 -19.297 11.782 1.00 0.00 H new ATOM 19 N SER A 3 5.169 -15.384 13.025 1.00 0.00 N ATOM 20 CA SER A 3 5.935 -14.200 13.394 1.00 0.00 C ATOM 21 C SER A 3 7.359 -14.284 12.854 1.00 0.00 C ATOM 22 O SER A 3 7.796 -15.334 12.384 1.00 0.00 O ATOM 23 CB SER A 3 5.963 -14.039 14.915 1.00 0.00 C ATOM 24 OG SER A 3 6.465 -12.766 15.284 1.00 0.00 O ATOM 0 H SER A 3 4.605 -15.773 13.780 1.00 0.00 H new ATOM 0 HA SER A 3 5.448 -13.330 12.952 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.958 -14.167 15.316 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.583 -14.820 15.355 1.00 0.00 H new ATOM 0 HG SER A 3 6.471 -12.687 16.261 1.00 0.00 H new ATOM 30 N GLY A 4 8.080 -13.169 12.924 1.00 0.00 N ATOM 31 CA GLY A 4 9.447 -13.137 12.439 1.00 0.00 C ATOM 32 C GLY A 4 9.690 -12.000 11.465 1.00 0.00 C ATOM 33 O GLY A 4 10.741 -11.361 11.497 1.00 0.00 O ATOM 0 H GLY A 4 7.741 -12.287 13.308 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.127 -13.038 13.285 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.679 -14.084 11.952 1.00 0.00 H new ATOM 37 N SER A 5 8.716 -11.749 10.596 1.00 0.00 N ATOM 38 CA SER A 5 8.831 -10.686 9.605 1.00 0.00 C ATOM 39 C SER A 5 9.583 -9.488 10.179 1.00 0.00 C ATOM 40 O SER A 5 9.350 -9.082 11.317 1.00 0.00 O ATOM 41 CB SER A 5 7.444 -10.251 9.129 1.00 0.00 C ATOM 42 OG SER A 5 7.528 -9.118 8.281 1.00 0.00 O ATOM 0 H SER A 5 7.838 -12.267 10.558 1.00 0.00 H new ATOM 0 HA SER A 5 9.393 -11.074 8.756 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.964 -11.073 8.597 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.817 -10.019 9.990 1.00 0.00 H new ATOM 0 HG SER A 5 6.629 -8.861 7.989 1.00 0.00 H new ATOM 48 N SER A 6 10.485 -8.926 9.381 1.00 0.00 N ATOM 49 CA SER A 6 11.274 -7.777 9.808 1.00 0.00 C ATOM 50 C SER A 6 10.610 -6.472 9.382 1.00 0.00 C ATOM 51 O SER A 6 9.717 -6.465 8.535 1.00 0.00 O ATOM 52 CB SER A 6 12.687 -7.857 9.227 1.00 0.00 C ATOM 53 OG SER A 6 12.654 -7.912 7.811 1.00 0.00 O ATOM 0 H SER A 6 10.688 -9.248 8.435 1.00 0.00 H new ATOM 0 HA SER A 6 11.335 -7.794 10.896 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.265 -6.990 9.547 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.194 -8.740 9.617 1.00 0.00 H new ATOM 0 HG SER A 6 13.569 -7.961 7.464 1.00 0.00 H new ATOM 59 N GLY A 7 11.052 -5.368 9.976 1.00 0.00 N ATOM 60 CA GLY A 7 10.490 -4.072 9.645 1.00 0.00 C ATOM 61 C GLY A 7 9.043 -3.940 10.079 1.00 0.00 C ATOM 62 O GLY A 7 8.757 -3.437 11.165 1.00 0.00 O ATOM 0 H GLY A 7 11.789 -5.348 10.681 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.082 -3.290 10.121 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.559 -3.913 8.569 1.00 0.00 H new ATOM 66 N SER A 8 8.128 -4.390 9.226 1.00 0.00 N ATOM 67 CA SER A 8 6.703 -4.315 9.525 1.00 0.00 C ATOM 68 C SER A 8 6.366 -3.013 10.244 1.00 0.00 C ATOM 69 O SER A 8 5.525 -2.987 11.141 1.00 0.00 O ATOM 70 CB SER A 8 6.276 -5.509 10.380 1.00 0.00 C ATOM 71 OG SER A 8 6.994 -5.545 11.601 1.00 0.00 O ATOM 0 H SER A 8 8.348 -4.810 8.323 1.00 0.00 H new ATOM 0 HA SER A 8 6.158 -4.340 8.582 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.207 -5.450 10.585 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.444 -6.434 9.828 1.00 0.00 H new ATOM 0 HG SER A 8 6.702 -6.316 12.130 1.00 0.00 H new ATOM 77 N GLU A 9 7.031 -1.934 9.844 1.00 0.00 N ATOM 78 CA GLU A 9 6.804 -0.628 10.451 1.00 0.00 C ATOM 79 C GLU A 9 5.867 0.216 9.592 1.00 0.00 C ATOM 80 O GLU A 9 5.107 1.037 10.105 1.00 0.00 O ATOM 81 CB GLU A 9 8.132 0.106 10.648 1.00 0.00 C ATOM 82 CG GLU A 9 8.117 1.091 11.806 1.00 0.00 C ATOM 83 CD GLU A 9 8.375 0.423 13.143 1.00 0.00 C ATOM 84 OE1 GLU A 9 7.552 -0.421 13.554 1.00 0.00 O ATOM 85 OE2 GLU A 9 9.401 0.746 13.778 1.00 0.00 O ATOM 0 H GLU A 9 7.731 -1.938 9.102 1.00 0.00 H new ATOM 0 HA GLU A 9 6.336 -0.785 11.423 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.921 -0.627 10.816 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.382 0.640 9.731 1.00 0.00 H new ATOM 0 HG2 GLU A 9 8.872 1.858 11.635 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.151 1.596 11.836 1.00 0.00 H new ATOM 92 N ALA A 10 5.927 0.008 8.280 1.00 0.00 N ATOM 93 CA ALA A 10 5.084 0.747 7.349 1.00 0.00 C ATOM 94 C ALA A 10 3.615 0.657 7.749 1.00 0.00 C ATOM 95 O ALA A 10 2.817 1.532 7.414 1.00 0.00 O ATOM 96 CB ALA A 10 5.281 0.229 5.933 1.00 0.00 C ATOM 0 H ALA A 10 6.551 -0.667 7.838 1.00 0.00 H new ATOM 0 HA ALA A 10 5.379 1.796 7.384 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.645 0.790 5.248 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.324 0.352 5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.015 -0.827 5.892 1.00 0.00 H new ATOM 102 N TRP A 11 3.266 -0.406 8.464 1.00 0.00 N ATOM 103 CA TRP A 11 1.892 -0.611 8.908 1.00 0.00 C ATOM 104 C TRP A 11 1.370 0.617 9.648 1.00 0.00 C ATOM 105 O TRP A 11 0.180 0.924 9.595 1.00 0.00 O ATOM 106 CB TRP A 11 1.804 -1.842 9.811 1.00 0.00 C ATOM 107 CG TRP A 11 1.578 -3.117 9.057 1.00 0.00 C ATOM 108 CD1 TRP A 11 2.385 -4.219 9.051 1.00 0.00 C ATOM 109 CD2 TRP A 11 0.473 -3.421 8.199 1.00 0.00 C ATOM 110 NE1 TRP A 11 1.848 -5.190 8.239 1.00 0.00 N ATOM 111 CE2 TRP A 11 0.675 -4.725 7.706 1.00 0.00 C ATOM 112 CE3 TRP A 11 -0.668 -2.719 7.800 1.00 0.00 C ATOM 113 CZ2 TRP A 11 -0.222 -5.338 6.835 1.00 0.00 C ATOM 114 CZ3 TRP A 11 -1.556 -3.329 6.935 1.00 0.00 C ATOM 115 CH2 TRP A 11 -1.330 -4.628 6.461 1.00 0.00 C ATOM 0 H TRP A 11 3.915 -1.139 8.749 1.00 0.00 H new ATOM 0 HA TRP A 11 1.272 -0.772 8.026 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.725 -1.928 10.387 1.00 0.00 H new ATOM 0 HB3 TRP A 11 0.993 -1.702 10.526 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.309 -4.314 9.603 1.00 0.00 H new ATOM 0 HE1 TRP A 11 2.257 -6.108 8.062 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.852 -1.718 8.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -0.049 -6.339 6.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.440 -2.795 6.619 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.044 -5.078 5.787 1.00 0.00 H new ATOM 126 N GLU A 12 2.269 1.314 10.336 1.00 0.00 N ATOM 127 CA GLU A 12 1.897 2.507 11.086 1.00 0.00 C ATOM 128 C GLU A 12 1.236 3.538 10.176 1.00 0.00 C ATOM 129 O GLU A 12 0.546 4.444 10.644 1.00 0.00 O ATOM 130 CB GLU A 12 3.129 3.119 11.757 1.00 0.00 C ATOM 131 CG GLU A 12 3.805 2.190 12.751 1.00 0.00 C ATOM 132 CD GLU A 12 2.837 1.622 13.771 1.00 0.00 C ATOM 133 OE1 GLU A 12 1.806 2.275 14.037 1.00 0.00 O ATOM 134 OE2 GLU A 12 3.109 0.526 14.303 1.00 0.00 O ATOM 0 H GLU A 12 3.259 1.073 10.389 1.00 0.00 H new ATOM 0 HA GLU A 12 1.181 2.214 11.854 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.849 3.401 10.988 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.836 4.035 12.270 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.280 1.371 12.212 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.596 2.732 13.269 1.00 0.00 H new ATOM 141 N TYR A 13 1.452 3.394 8.873 1.00 0.00 N ATOM 142 CA TYR A 13 0.880 4.313 7.897 1.00 0.00 C ATOM 143 C TYR A 13 -0.299 3.673 7.171 1.00 0.00 C ATOM 144 O TYR A 13 -0.719 4.139 6.112 1.00 0.00 O ATOM 145 CB TYR A 13 1.944 4.742 6.885 1.00 0.00 C ATOM 146 CG TYR A 13 3.195 5.303 7.523 1.00 0.00 C ATOM 147 CD1 TYR A 13 4.240 4.469 7.900 1.00 0.00 C ATOM 148 CD2 TYR A 13 3.332 6.667 7.747 1.00 0.00 C ATOM 149 CE1 TYR A 13 5.385 4.977 8.483 1.00 0.00 C ATOM 150 CE2 TYR A 13 4.474 7.185 8.328 1.00 0.00 C ATOM 151 CZ TYR A 13 5.497 6.336 8.695 1.00 0.00 C ATOM 152 OH TYR A 13 6.636 6.846 9.275 1.00 0.00 O ATOM 0 H TYR A 13 2.019 2.649 8.469 1.00 0.00 H new ATOM 0 HA TYR A 13 0.520 5.192 8.431 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.214 3.885 6.269 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.518 5.492 6.219 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.156 3.405 7.735 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.532 7.334 7.462 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.188 4.314 8.771 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.565 8.248 8.494 1.00 0.00 H new ATOM 0 HH TYR A 13 7.401 6.278 9.047 1.00 0.00 H new ATOM 162 N PHE A 14 -0.830 2.602 7.750 1.00 0.00 N ATOM 163 CA PHE A 14 -1.962 1.896 7.160 1.00 0.00 C ATOM 164 C PHE A 14 -2.821 1.245 8.241 1.00 0.00 C ATOM 165 O PHE A 14 -2.348 0.973 9.345 1.00 0.00 O ATOM 166 CB PHE A 14 -1.470 0.833 6.175 1.00 0.00 C ATOM 167 CG PHE A 14 -0.732 1.403 4.998 1.00 0.00 C ATOM 168 CD1 PHE A 14 0.633 1.633 5.063 1.00 0.00 C ATOM 169 CD2 PHE A 14 -1.403 1.709 3.825 1.00 0.00 C ATOM 170 CE1 PHE A 14 1.315 2.157 3.981 1.00 0.00 C ATOM 171 CE2 PHE A 14 -0.727 2.233 2.740 1.00 0.00 C ATOM 172 CZ PHE A 14 0.634 2.458 2.818 1.00 0.00 C ATOM 0 H PHE A 14 -0.495 2.203 8.627 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.572 2.623 6.625 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.817 0.136 6.701 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -2.324 0.259 5.815 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.171 1.400 5.970 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.467 1.536 3.758 1.00 0.00 H new ATOM 0 HE1 PHE A 14 2.379 2.331 4.045 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.262 2.467 1.831 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.164 2.868 1.971 1.00 0.00 H new ATOM 182 N HIS A 15 -4.085 0.998 7.914 1.00 0.00 N ATOM 183 CA HIS A 15 -5.011 0.380 8.856 1.00 0.00 C ATOM 184 C HIS A 15 -5.945 -0.592 8.141 1.00 0.00 C ATOM 185 O HIS A 15 -6.546 -0.255 7.120 1.00 0.00 O ATOM 186 CB HIS A 15 -5.828 1.451 9.579 1.00 0.00 C ATOM 187 CG HIS A 15 -7.128 1.768 8.907 1.00 0.00 C ATOM 188 ND1 HIS A 15 -8.123 0.833 8.714 1.00 0.00 N ATOM 189 CD2 HIS A 15 -7.595 2.926 8.384 1.00 0.00 C ATOM 190 CE1 HIS A 15 -9.145 1.402 8.099 1.00 0.00 C ATOM 191 NE2 HIS A 15 -8.850 2.672 7.887 1.00 0.00 N ATOM 0 H HIS A 15 -4.492 1.216 7.004 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.427 -0.177 9.589 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.027 1.118 10.598 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.234 2.362 9.651 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -8.077 -0.145 9.001 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.077 3.873 8.362 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.065 0.912 7.817 1.00 0.00 H new ATOM 199 N LEU A 16 -6.062 -1.800 8.683 1.00 0.00 N ATOM 200 CA LEU A 16 -6.922 -2.822 8.096 1.00 0.00 C ATOM 201 C LEU A 16 -8.392 -2.438 8.230 1.00 0.00 C ATOM 202 O LEU A 16 -8.800 -1.839 9.224 1.00 0.00 O ATOM 203 CB LEU A 16 -6.673 -4.173 8.769 1.00 0.00 C ATOM 204 CG LEU A 16 -5.330 -4.838 8.462 1.00 0.00 C ATOM 205 CD1 LEU A 16 -5.114 -6.044 9.363 1.00 0.00 C ATOM 206 CD2 LEU A 16 -5.258 -5.243 6.997 1.00 0.00 C ATOM 0 H LEU A 16 -5.572 -2.095 9.528 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.681 -2.901 7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.751 -4.039 9.848 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.470 -4.856 8.474 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.536 -4.118 8.658 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.154 -6.505 9.131 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.121 -5.725 10.405 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.912 -6.768 9.200 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.296 -5.714 6.797 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.060 -5.947 6.774 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.366 -4.359 6.369 1.00 0.00 H new ATOM 218 N ALA A 17 -9.184 -2.789 7.222 1.00 0.00 N ATOM 219 CA ALA A 17 -10.609 -2.486 7.228 1.00 0.00 C ATOM 220 C ALA A 17 -11.413 -3.636 7.824 1.00 0.00 C ATOM 221 O ALA A 17 -11.009 -4.798 7.775 1.00 0.00 O ATOM 222 CB ALA A 17 -11.090 -2.178 5.818 1.00 0.00 C ATOM 0 H ALA A 17 -8.862 -3.284 6.390 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.765 -1.607 7.853 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.156 -1.954 5.838 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.546 -1.318 5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.913 -3.041 5.177 1.00 0.00 H new ATOM 228 N PRO A 18 -12.579 -3.309 8.401 1.00 0.00 N ATOM 229 CA PRO A 18 -13.463 -4.302 9.018 1.00 0.00 C ATOM 230 C PRO A 18 -14.118 -5.214 7.987 1.00 0.00 C ATOM 231 O PRO A 18 -14.605 -4.752 6.955 1.00 0.00 O ATOM 232 CB PRO A 18 -14.519 -3.447 9.722 1.00 0.00 C ATOM 233 CG PRO A 18 -14.534 -2.163 8.966 1.00 0.00 C ATOM 234 CD PRO A 18 -13.123 -1.944 8.496 1.00 0.00 C ATOM 0 HA PRO A 18 -12.921 -4.971 9.686 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.496 -3.929 9.702 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.264 -3.286 10.770 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -15.223 -2.214 8.123 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.867 -1.341 9.600 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -13.095 -1.432 7.534 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.556 -1.333 9.198 1.00 0.00 H new ATOM 242 N ALA A 19 -14.127 -6.512 8.273 1.00 0.00 N ATOM 243 CA ALA A 19 -14.725 -7.489 7.371 1.00 0.00 C ATOM 244 C ALA A 19 -16.032 -8.031 7.938 1.00 0.00 C ATOM 245 O ALA A 19 -16.172 -8.201 9.149 1.00 0.00 O ATOM 246 CB ALA A 19 -13.750 -8.627 7.105 1.00 0.00 C ATOM 0 H ALA A 19 -13.727 -6.911 9.122 1.00 0.00 H new ATOM 0 HA ALA A 19 -14.948 -6.989 6.429 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -14.209 -9.349 6.430 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -12.843 -8.230 6.649 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.498 -9.118 8.045 1.00 0.00 H new ATOM 252 N ARG A 20 -16.988 -8.300 7.054 1.00 0.00 N ATOM 253 CA ARG A 20 -18.286 -8.821 7.468 1.00 0.00 C ATOM 254 C ARG A 20 -18.329 -10.340 7.335 1.00 0.00 C ATOM 255 O ARG A 20 -18.659 -11.047 8.287 1.00 0.00 O ATOM 256 CB ARG A 20 -19.401 -8.193 6.630 1.00 0.00 C ATOM 257 CG ARG A 20 -19.745 -6.771 7.040 1.00 0.00 C ATOM 258 CD ARG A 20 -20.907 -6.222 6.227 1.00 0.00 C ATOM 259 NE ARG A 20 -22.109 -7.038 6.370 1.00 0.00 N ATOM 260 CZ ARG A 20 -23.332 -6.601 6.091 1.00 0.00 C ATOM 261 NH1 ARG A 20 -23.513 -5.362 5.656 1.00 0.00 N ATOM 262 NH2 ARG A 20 -24.377 -7.404 6.246 1.00 0.00 N ATOM 0 H ARG A 20 -16.888 -8.166 6.048 1.00 0.00 H new ATOM 0 HA ARG A 20 -18.437 -8.561 8.516 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -19.102 -8.197 5.582 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -20.295 -8.811 6.709 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -19.998 -6.748 8.100 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -18.872 -6.132 6.907 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -21.122 -5.202 6.545 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -20.624 -6.175 5.176 1.00 0.00 H new ATOM 0 HE ARG A 20 -22.004 -7.997 6.702 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -22.712 -4.742 5.535 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -24.453 -5.029 5.442 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -24.242 -8.358 6.580 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -25.315 -7.067 6.031 1.00 0.00 H new ATOM 276 N ALA A 21 -17.993 -10.835 6.148 1.00 0.00 N ATOM 277 CA ALA A 21 -17.992 -12.270 5.892 1.00 0.00 C ATOM 278 C ALA A 21 -16.696 -12.913 6.374 1.00 0.00 C ATOM 279 O ALA A 21 -15.764 -12.222 6.782 1.00 0.00 O ATOM 280 CB ALA A 21 -18.198 -12.541 4.409 1.00 0.00 C ATOM 0 H ALA A 21 -17.718 -10.264 5.349 1.00 0.00 H new ATOM 0 HA ALA A 21 -18.816 -12.714 6.450 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -18.195 -13.617 4.232 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -19.154 -12.124 4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -17.393 -12.077 3.839 1.00 0.00 H new ATOM 286 N GLY A 22 -16.645 -14.241 6.324 1.00 0.00 N ATOM 287 CA GLY A 22 -15.459 -14.954 6.759 1.00 0.00 C ATOM 288 C GLY A 22 -14.178 -14.277 6.314 1.00 0.00 C ATOM 289 O GLY A 22 -13.193 -14.248 7.052 1.00 0.00 O ATOM 0 H GLY A 22 -17.404 -14.835 5.990 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -15.465 -15.034 7.846 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.485 -15.970 6.365 1.00 0.00 H new ATOM 293 N HIS A 23 -14.190 -13.731 5.102 1.00 0.00 N ATOM 294 CA HIS A 23 -13.020 -13.051 4.558 1.00 0.00 C ATOM 295 C HIS A 23 -12.286 -12.276 5.648 1.00 0.00 C ATOM 296 O HIS A 23 -12.779 -11.261 6.142 1.00 0.00 O ATOM 297 CB HIS A 23 -13.432 -12.102 3.432 1.00 0.00 C ATOM 298 CG HIS A 23 -13.848 -12.807 2.177 1.00 0.00 C ATOM 299 ND1 HIS A 23 -13.791 -12.221 0.930 1.00 0.00 N ATOM 300 CD2 HIS A 23 -14.328 -14.057 1.982 1.00 0.00 C ATOM 301 CE1 HIS A 23 -14.219 -13.080 0.023 1.00 0.00 C ATOM 302 NE2 HIS A 23 -14.551 -14.202 0.635 1.00 0.00 N ATOM 0 H HIS A 23 -14.997 -13.746 4.478 1.00 0.00 H new ATOM 0 HA HIS A 23 -12.346 -13.808 4.157 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -14.255 -11.477 3.778 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.599 -11.436 3.206 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -14.503 -14.802 2.744 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -14.286 -12.896 -1.039 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -14.914 -15.040 0.181 1.00 0.00 H new ATOM 310 N HIS A 24 -11.106 -12.762 6.021 1.00 0.00 N ATOM 311 CA HIS A 24 -10.304 -12.115 7.053 1.00 0.00 C ATOM 312 C HIS A 24 -10.159 -10.622 6.773 1.00 0.00 C ATOM 313 O HIS A 24 -10.256 -10.167 5.633 1.00 0.00 O ATOM 314 CB HIS A 24 -8.923 -12.765 7.139 1.00 0.00 C ATOM 315 CG HIS A 24 -8.236 -12.890 5.814 1.00 0.00 C ATOM 316 ND1 HIS A 24 -6.953 -13.375 5.674 1.00 0.00 N ATOM 317 CD2 HIS A 24 -8.662 -12.592 4.564 1.00 0.00 C ATOM 318 CE1 HIS A 24 -6.619 -13.368 4.396 1.00 0.00 C ATOM 319 NE2 HIS A 24 -7.639 -12.897 3.702 1.00 0.00 N ATOM 0 H HIS A 24 -10.684 -13.602 5.624 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.816 -12.240 8.007 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.296 -12.178 7.810 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.024 -13.756 7.582 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -9.627 -12.189 4.295 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -5.673 -13.692 3.988 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.663 -12.779 2.689 1.00 0.00 H new ATOM 327 N PRO A 25 -9.923 -9.840 7.836 1.00 0.00 N ATOM 328 CA PRO A 25 -9.760 -8.387 7.730 1.00 0.00 C ATOM 329 C PRO A 25 -8.461 -7.998 7.032 1.00 0.00 C ATOM 330 O PRO A 25 -8.139 -6.817 6.912 1.00 0.00 O ATOM 331 CB PRO A 25 -9.743 -7.924 9.189 1.00 0.00 C ATOM 332 CG PRO A 25 -9.270 -9.109 9.957 1.00 0.00 C ATOM 333 CD PRO A 25 -9.796 -10.313 9.225 1.00 0.00 C ATOM 0 HA PRO A 25 -10.550 -7.931 7.133 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.077 -7.072 9.326 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.734 -7.610 9.516 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.182 -9.130 10.011 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.640 -9.083 10.982 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.113 -11.159 9.300 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.755 -10.641 9.627 1.00 0.00 H new ATOM 341 N ASN A 26 -7.718 -9.001 6.575 1.00 0.00 N ATOM 342 CA ASN A 26 -6.453 -8.763 5.889 1.00 0.00 C ATOM 343 C ASN A 26 -6.664 -8.653 4.382 1.00 0.00 C ATOM 344 O ASN A 26 -5.872 -9.171 3.596 1.00 0.00 O ATOM 345 CB ASN A 26 -5.464 -9.890 6.195 1.00 0.00 C ATOM 346 CG ASN A 26 -4.022 -9.420 6.156 1.00 0.00 C ATOM 347 OD1 ASN A 26 -3.221 -9.905 5.357 1.00 0.00 O ATOM 348 ND2 ASN A 26 -3.686 -8.470 7.020 1.00 0.00 N ATOM 0 H ASN A 26 -7.970 -9.985 6.667 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.043 -7.820 6.251 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.682 -10.304 7.180 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.600 -10.695 5.473 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.731 -8.113 7.040 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.383 -8.097 7.664 1.00 0.00 H new ATOM 355 N GLN A 27 -7.736 -7.973 3.988 1.00 0.00 N ATOM 356 CA GLN A 27 -8.050 -7.794 2.575 1.00 0.00 C ATOM 357 C GLN A 27 -7.294 -6.603 1.996 1.00 0.00 C ATOM 358 O GLN A 27 -6.376 -6.769 1.193 1.00 0.00 O ATOM 359 CB GLN A 27 -9.555 -7.598 2.387 1.00 0.00 C ATOM 360 CG GLN A 27 -10.044 -7.945 0.990 1.00 0.00 C ATOM 361 CD GLN A 27 -9.496 -9.268 0.492 1.00 0.00 C ATOM 362 OE1 GLN A 27 -8.399 -9.330 -0.063 1.00 0.00 O ATOM 363 NE2 GLN A 27 -10.259 -10.337 0.689 1.00 0.00 N ATOM 0 H GLN A 27 -8.401 -7.537 4.627 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.738 -8.692 2.042 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.087 -8.214 3.112 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.808 -6.560 2.604 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.133 -7.984 0.990 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.753 -7.153 0.300 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.162 -10.241 1.154 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.942 -11.255 0.376 1.00 0.00 H new ATOM 372 N TYR A 28 -7.686 -5.403 2.408 1.00 0.00 N ATOM 373 CA TYR A 28 -7.047 -4.183 1.927 1.00 0.00 C ATOM 374 C TYR A 28 -6.582 -3.316 3.093 1.00 0.00 C ATOM 375 O TYR A 28 -7.210 -3.289 4.151 1.00 0.00 O ATOM 376 CB TYR A 28 -8.012 -3.392 1.042 1.00 0.00 C ATOM 377 CG TYR A 28 -8.169 -3.967 -0.347 1.00 0.00 C ATOM 378 CD1 TYR A 28 -7.125 -3.917 -1.263 1.00 0.00 C ATOM 379 CD2 TYR A 28 -9.361 -4.561 -0.744 1.00 0.00 C ATOM 380 CE1 TYR A 28 -7.264 -4.440 -2.534 1.00 0.00 C ATOM 381 CE2 TYR A 28 -9.508 -5.088 -2.012 1.00 0.00 C ATOM 382 CZ TYR A 28 -8.458 -5.026 -2.904 1.00 0.00 C ATOM 383 OH TYR A 28 -8.601 -5.549 -4.168 1.00 0.00 O ATOM 0 H TYR A 28 -8.443 -5.248 3.074 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.175 -4.467 1.338 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.989 -3.358 1.524 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.659 -2.364 0.963 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.189 -3.461 -0.976 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -10.186 -4.611 -0.049 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.443 -4.391 -3.234 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -10.441 -5.547 -2.304 1.00 0.00 H new ATOM 0 HH TYR A 28 -9.501 -5.925 -4.267 1.00 0.00 H new ATOM 393 N ALA A 29 -5.475 -2.609 2.891 1.00 0.00 N ATOM 394 CA ALA A 29 -4.925 -1.738 3.923 1.00 0.00 C ATOM 395 C ALA A 29 -5.209 -0.272 3.613 1.00 0.00 C ATOM 396 O ALA A 29 -4.887 0.218 2.530 1.00 0.00 O ATOM 397 CB ALA A 29 -3.428 -1.969 4.066 1.00 0.00 C ATOM 0 H ALA A 29 -4.941 -2.622 2.022 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.411 -1.983 4.867 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.031 -1.312 4.840 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.245 -3.007 4.342 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.934 -1.753 3.118 1.00 0.00 H new ATOM 403 N THR A 30 -5.815 0.424 4.570 1.00 0.00 N ATOM 404 CA THR A 30 -6.143 1.833 4.398 1.00 0.00 C ATOM 405 C THR A 30 -5.008 2.726 4.885 1.00 0.00 C ATOM 406 O THR A 30 -4.737 2.805 6.084 1.00 0.00 O ATOM 407 CB THR A 30 -7.433 2.205 5.153 1.00 0.00 C ATOM 408 OG1 THR A 30 -8.491 1.313 4.786 1.00 0.00 O ATOM 409 CG2 THR A 30 -7.844 3.638 4.850 1.00 0.00 C ATOM 0 H THR A 30 -6.088 0.034 5.472 1.00 0.00 H new ATOM 0 HA THR A 30 -6.295 1.994 3.331 1.00 0.00 H new ATOM 0 HB THR A 30 -7.239 2.117 6.222 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.307 1.556 5.272 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.757 3.877 5.394 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.049 4.317 5.158 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.020 3.747 3.780 1.00 0.00 H new ATOM 417 N CYS A 31 -4.346 3.398 3.949 1.00 0.00 N ATOM 418 CA CYS A 31 -3.239 4.286 4.282 1.00 0.00 C ATOM 419 C CYS A 31 -3.703 5.412 5.201 1.00 0.00 C ATOM 420 O CYS A 31 -4.668 6.115 4.900 1.00 0.00 O ATOM 421 CB CYS A 31 -2.626 4.872 3.008 1.00 0.00 C ATOM 422 SG CYS A 31 -0.982 5.617 3.249 1.00 0.00 S ATOM 0 H CYS A 31 -4.558 3.344 2.953 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.482 3.702 4.805 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.550 4.084 2.259 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.301 5.629 2.608 1.00 0.00 H new ATOM 427 N ARG A 32 -3.009 5.578 6.322 1.00 0.00 N ATOM 428 CA ARG A 32 -3.350 6.617 7.286 1.00 0.00 C ATOM 429 C ARG A 32 -2.674 7.936 6.924 1.00 0.00 C ATOM 430 O ARG A 32 -2.825 8.937 7.626 1.00 0.00 O ATOM 431 CB ARG A 32 -2.939 6.191 8.696 1.00 0.00 C ATOM 432 CG ARG A 32 -3.601 4.904 9.160 1.00 0.00 C ATOM 433 CD ARG A 32 -2.828 4.259 10.300 1.00 0.00 C ATOM 434 NE ARG A 32 -3.056 4.942 11.571 1.00 0.00 N ATOM 435 CZ ARG A 32 -2.787 4.402 12.754 1.00 0.00 C ATOM 436 NH1 ARG A 32 -2.283 3.178 12.829 1.00 0.00 N ATOM 437 NH2 ARG A 32 -3.022 5.087 13.866 1.00 0.00 N ATOM 0 H ARG A 32 -2.207 5.006 6.585 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.430 6.762 7.259 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.857 6.065 8.727 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.187 6.990 9.395 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.620 5.114 9.483 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.669 4.207 8.325 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.123 3.214 10.392 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.763 4.271 10.068 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.443 5.885 11.549 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.101 2.648 11.977 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.077 2.766 13.739 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.410 6.029 13.812 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.815 4.672 14.774 1.00 0.00 H new ATOM 451 N LEU A 33 -1.927 7.931 5.826 1.00 0.00 N ATOM 452 CA LEU A 33 -1.226 9.126 5.370 1.00 0.00 C ATOM 453 C LEU A 33 -2.069 9.901 4.363 1.00 0.00 C ATOM 454 O LEU A 33 -2.247 11.113 4.488 1.00 0.00 O ATOM 455 CB LEU A 33 0.117 8.747 4.744 1.00 0.00 C ATOM 456 CG LEU A 33 1.220 8.335 5.720 1.00 0.00 C ATOM 457 CD1 LEU A 33 2.445 7.843 4.964 1.00 0.00 C ATOM 458 CD2 LEU A 33 1.586 9.497 6.633 1.00 0.00 C ATOM 0 H LEU A 33 -1.791 7.112 5.234 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.048 9.765 6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.049 7.926 4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.475 9.595 4.159 1.00 0.00 H new ATOM 0 HG LEU A 33 0.846 7.518 6.337 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.219 7.554 5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.174 6.982 4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.821 8.640 4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.372 9.186 7.321 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.940 10.334 6.032 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.708 9.804 7.201 1.00 0.00 H new ATOM 470 N CYS A 34 -2.588 9.193 3.365 1.00 0.00 N ATOM 471 CA CYS A 34 -3.414 9.813 2.336 1.00 0.00 C ATOM 472 C CYS A 34 -4.836 9.260 2.373 1.00 0.00 C ATOM 473 O CYS A 34 -5.804 9.994 2.181 1.00 0.00 O ATOM 474 CB CYS A 34 -2.801 9.582 0.953 1.00 0.00 C ATOM 475 SG CYS A 34 -2.607 7.826 0.509 1.00 0.00 S ATOM 0 H CYS A 34 -2.451 8.189 3.247 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.454 10.884 2.534 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.427 10.068 0.204 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.825 10.065 0.915 1.00 0.00 H new ATOM 480 N GLY A 35 -4.952 7.959 2.624 1.00 0.00 N ATOM 481 CA GLY A 35 -6.258 7.329 2.682 1.00 0.00 C ATOM 482 C GLY A 35 -6.539 6.464 1.470 1.00 0.00 C ATOM 483 O GLY A 35 -7.687 6.333 1.045 1.00 0.00 O ATOM 0 H GLY A 35 -4.165 7.331 2.788 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.324 6.719 3.583 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.026 8.099 2.761 1.00 0.00 H new ATOM 487 N ARG A 36 -5.489 5.872 0.911 1.00 0.00 N ATOM 488 CA ARG A 36 -5.628 5.017 -0.262 1.00 0.00 C ATOM 489 C ARG A 36 -5.541 3.544 0.126 1.00 0.00 C ATOM 490 O ARG A 36 -4.728 3.161 0.966 1.00 0.00 O ATOM 491 CB ARG A 36 -4.548 5.349 -1.293 1.00 0.00 C ATOM 492 CG ARG A 36 -4.928 6.483 -2.230 1.00 0.00 C ATOM 493 CD ARG A 36 -4.172 6.395 -3.547 1.00 0.00 C ATOM 494 NE ARG A 36 -4.333 7.603 -4.352 1.00 0.00 N ATOM 495 CZ ARG A 36 -3.694 7.813 -5.498 1.00 0.00 C ATOM 496 NH1 ARG A 36 -2.857 6.900 -5.970 1.00 0.00 N ATOM 497 NH2 ARG A 36 -3.893 8.938 -6.173 1.00 0.00 N ATOM 0 H ARG A 36 -4.532 5.969 1.251 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.608 5.202 -0.701 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.628 5.613 -0.771 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.335 4.458 -1.883 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.001 6.454 -2.422 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.716 7.439 -1.751 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.113 6.231 -3.347 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.527 5.533 -4.112 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.971 8.325 -4.016 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.702 6.034 -5.453 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.368 7.063 -6.850 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.537 9.642 -5.812 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.402 9.099 -7.053 1.00 0.00 H new ATOM 511 N GLN A 37 -6.385 2.724 -0.492 1.00 0.00 N ATOM 512 CA GLN A 37 -6.404 1.293 -0.210 1.00 0.00 C ATOM 513 C GLN A 37 -5.249 0.585 -0.911 1.00 0.00 C ATOM 514 O GLN A 37 -5.055 0.736 -2.117 1.00 0.00 O ATOM 515 CB GLN A 37 -7.735 0.682 -0.651 1.00 0.00 C ATOM 516 CG GLN A 37 -8.947 1.333 -0.005 1.00 0.00 C ATOM 517 CD GLN A 37 -9.090 2.797 -0.373 1.00 0.00 C ATOM 518 OE1 GLN A 37 -9.097 3.154 -1.551 1.00 0.00 O ATOM 519 NE2 GLN A 37 -9.205 3.653 0.635 1.00 0.00 N ATOM 0 H GLN A 37 -7.064 3.026 -1.191 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.290 1.159 0.866 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.822 0.765 -1.734 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.734 -0.382 -0.412 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.847 0.797 -0.307 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.870 1.241 1.078 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.194 3.313 1.597 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.304 4.651 0.448 1.00 0.00 H new ATOM 528 N VAL A 38 -4.483 -0.187 -0.146 1.00 0.00 N ATOM 529 CA VAL A 38 -3.347 -0.919 -0.693 1.00 0.00 C ATOM 530 C VAL A 38 -3.314 -2.351 -0.172 1.00 0.00 C ATOM 531 O VAL A 38 -3.193 -2.582 1.031 1.00 0.00 O ATOM 532 CB VAL A 38 -2.015 -0.227 -0.348 1.00 0.00 C ATOM 533 CG1 VAL A 38 -0.844 -1.005 -0.928 1.00 0.00 C ATOM 534 CG2 VAL A 38 -2.014 1.208 -0.853 1.00 0.00 C ATOM 0 H VAL A 38 -4.629 -0.321 0.855 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.470 -0.933 -1.776 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.906 -0.207 0.736 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.089 -0.501 -0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.836 -2.013 -0.514 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.944 -1.059 -2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.065 1.682 -0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.146 1.213 -1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.830 1.759 -0.386 1.00 0.00 H new ATOM 544 N SER A 39 -3.421 -3.310 -1.086 1.00 0.00 N ATOM 545 CA SER A 39 -3.406 -4.721 -0.719 1.00 0.00 C ATOM 546 C SER A 39 -1.975 -5.238 -0.604 1.00 0.00 C ATOM 547 O SER A 39 -1.032 -4.590 -1.058 1.00 0.00 O ATOM 548 CB SER A 39 -4.178 -5.547 -1.750 1.00 0.00 C ATOM 549 OG SER A 39 -3.707 -5.293 -3.062 1.00 0.00 O ATOM 0 H SER A 39 -3.519 -3.135 -2.086 1.00 0.00 H new ATOM 0 HA SER A 39 -3.889 -4.823 0.253 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.075 -6.608 -1.522 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.240 -5.310 -1.689 1.00 0.00 H new ATOM 0 HG SER A 39 -4.215 -5.834 -3.702 1.00 0.00 H new ATOM 555 N ARG A 40 -1.823 -6.409 0.006 1.00 0.00 N ATOM 556 CA ARG A 40 -0.508 -7.013 0.182 1.00 0.00 C ATOM 557 C ARG A 40 -0.104 -7.806 -1.058 1.00 0.00 C ATOM 558 O ARG A 40 1.016 -7.679 -1.551 1.00 0.00 O ATOM 559 CB ARG A 40 -0.502 -7.926 1.409 1.00 0.00 C ATOM 560 CG ARG A 40 -1.114 -7.288 2.645 1.00 0.00 C ATOM 561 CD ARG A 40 -0.188 -6.244 3.250 1.00 0.00 C ATOM 562 NE ARG A 40 0.039 -5.123 2.342 1.00 0.00 N ATOM 563 CZ ARG A 40 -0.866 -4.183 2.095 1.00 0.00 C ATOM 564 NH1 ARG A 40 -2.053 -4.229 2.685 1.00 0.00 N ATOM 565 NH2 ARG A 40 -0.585 -3.194 1.256 1.00 0.00 N ATOM 0 H ARG A 40 -2.594 -6.958 0.386 1.00 0.00 H new ATOM 0 HA ARG A 40 0.215 -6.211 0.331 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.048 -8.840 1.174 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.525 -8.216 1.631 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.065 -6.824 2.383 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.328 -8.059 3.385 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.617 -5.875 4.182 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.766 -6.707 3.500 1.00 0.00 H new ATOM 0 HE ARG A 40 0.942 -5.058 1.872 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.273 -4.988 3.330 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.746 -3.506 2.493 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.327 -3.155 0.800 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.281 -2.472 1.067 1.00 0.00 H new ATOM 579 N GLY A 41 -1.024 -8.626 -1.556 1.00 0.00 N ATOM 580 CA GLY A 41 -0.745 -9.429 -2.732 1.00 0.00 C ATOM 581 C GLY A 41 0.135 -10.623 -2.424 1.00 0.00 C ATOM 582 O GLY A 41 0.592 -10.810 -1.296 1.00 0.00 O ATOM 0 H GLY A 41 -1.958 -8.749 -1.166 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.684 -9.776 -3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.259 -8.808 -3.485 1.00 0.00 H new ATOM 586 N PRO A 42 0.384 -11.459 -3.443 1.00 0.00 N ATOM 587 CA PRO A 42 1.215 -12.658 -3.299 1.00 0.00 C ATOM 588 C PRO A 42 2.687 -12.319 -3.089 1.00 0.00 C ATOM 589 O PRO A 42 3.387 -11.939 -4.027 1.00 0.00 O ATOM 590 CB PRO A 42 1.019 -13.388 -4.630 1.00 0.00 C ATOM 591 CG PRO A 42 0.652 -12.317 -5.599 1.00 0.00 C ATOM 592 CD PRO A 42 -0.128 -11.299 -4.814 1.00 0.00 C ATOM 0 HA PRO A 42 0.931 -13.249 -2.428 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.929 -13.904 -4.936 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.235 -14.141 -4.557 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.542 -11.870 -6.042 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.056 -12.719 -6.418 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.038 -10.289 -5.189 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.200 -11.487 -4.867 1.00 0.00 H new ATOM 600 N GLY A 43 3.152 -12.461 -1.851 1.00 0.00 N ATOM 601 CA GLY A 43 4.539 -12.167 -1.541 1.00 0.00 C ATOM 602 C GLY A 43 4.727 -10.763 -1.001 1.00 0.00 C ATOM 603 O GLY A 43 5.242 -9.887 -1.695 1.00 0.00 O ATOM 0 H GLY A 43 2.593 -12.774 -1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.905 -12.887 -0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.143 -12.291 -2.440 1.00 0.00 H new ATOM 607 N VAL A 44 4.307 -10.549 0.242 1.00 0.00 N ATOM 608 CA VAL A 44 4.431 -9.241 0.876 1.00 0.00 C ATOM 609 C VAL A 44 5.355 -9.303 2.087 1.00 0.00 C ATOM 610 O VAL A 44 5.689 -8.277 2.678 1.00 0.00 O ATOM 611 CB VAL A 44 3.059 -8.699 1.318 1.00 0.00 C ATOM 612 CG1 VAL A 44 2.309 -9.743 2.130 1.00 0.00 C ATOM 613 CG2 VAL A 44 3.226 -7.412 2.112 1.00 0.00 C ATOM 0 H VAL A 44 3.878 -11.264 0.830 1.00 0.00 H new ATOM 0 HA VAL A 44 4.856 -8.568 0.132 1.00 0.00 H new ATOM 0 HB VAL A 44 2.471 -8.476 0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.342 -9.342 2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.157 -10.636 1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.889 -10.001 3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.247 -7.043 2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.832 -7.607 2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.719 -6.663 1.492 1.00 0.00 H new ATOM 623 N ASN A 45 5.765 -10.514 2.450 1.00 0.00 N ATOM 624 CA ASN A 45 6.651 -10.710 3.592 1.00 0.00 C ATOM 625 C ASN A 45 8.089 -10.935 3.132 1.00 0.00 C ATOM 626 O ASN A 45 9.038 -10.552 3.817 1.00 0.00 O ATOM 627 CB ASN A 45 6.180 -11.899 4.431 1.00 0.00 C ATOM 628 CG ASN A 45 5.544 -12.987 3.587 1.00 0.00 C ATOM 629 OD1 ASN A 45 5.791 -13.079 2.385 1.00 0.00 O ATOM 630 ND2 ASN A 45 4.719 -13.816 4.216 1.00 0.00 N ATOM 0 H ASN A 45 5.498 -11.374 1.970 1.00 0.00 H new ATOM 0 HA ASN A 45 6.621 -9.808 4.203 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.028 -12.314 4.975 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.462 -11.554 5.175 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.260 -14.567 3.701 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.544 -13.701 5.214 1.00 0.00 H new ATOM 637 N VAL A 46 8.241 -11.559 1.968 1.00 0.00 N ATOM 638 CA VAL A 46 9.562 -11.834 1.416 1.00 0.00 C ATOM 639 C VAL A 46 10.527 -10.689 1.703 1.00 0.00 C ATOM 640 O VAL A 46 11.725 -10.904 1.887 1.00 0.00 O ATOM 641 CB VAL A 46 9.497 -12.066 -0.105 1.00 0.00 C ATOM 642 CG1 VAL A 46 8.937 -10.839 -0.809 1.00 0.00 C ATOM 643 CG2 VAL A 46 10.873 -12.421 -0.649 1.00 0.00 C ATOM 0 H VAL A 46 7.466 -11.883 1.390 1.00 0.00 H new ATOM 0 HA VAL A 46 9.925 -12.741 1.900 1.00 0.00 H new ATOM 0 HB VAL A 46 8.827 -12.904 -0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.899 -11.022 -1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.932 -10.634 -0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.579 -9.981 -0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.808 -12.582 -1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.567 -11.605 -0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.231 -13.331 -0.167 1.00 0.00 H new ATOM 653 N GLY A 47 9.997 -9.471 1.742 1.00 0.00 N ATOM 654 CA GLY A 47 10.826 -8.309 2.008 1.00 0.00 C ATOM 655 C GLY A 47 10.027 -7.021 2.037 1.00 0.00 C ATOM 656 O GLY A 47 8.945 -6.966 2.624 1.00 0.00 O ATOM 0 H GLY A 47 9.009 -9.267 1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.333 -8.440 2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.600 -8.236 1.244 1.00 0.00 H new ATOM 660 N THR A 48 10.560 -5.981 1.404 1.00 0.00 N ATOM 661 CA THR A 48 9.891 -4.687 1.363 1.00 0.00 C ATOM 662 C THR A 48 8.376 -4.852 1.321 1.00 0.00 C ATOM 663 O THR A 48 7.808 -5.213 0.290 1.00 0.00 O ATOM 664 CB THR A 48 10.340 -3.862 0.142 1.00 0.00 C ATOM 665 OG1 THR A 48 11.770 -3.825 0.074 1.00 0.00 O ATOM 666 CG2 THR A 48 9.795 -2.443 0.218 1.00 0.00 C ATOM 0 H THR A 48 11.453 -6.010 0.913 1.00 0.00 H new ATOM 0 HA THR A 48 10.171 -4.157 2.274 1.00 0.00 H new ATOM 0 HB THR A 48 9.946 -4.339 -0.755 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.047 -3.300 -0.706 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.125 -1.879 -0.655 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.706 -2.472 0.240 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.164 -1.960 1.123 1.00 0.00 H new ATOM 674 N THR A 49 7.725 -4.585 2.449 1.00 0.00 N ATOM 675 CA THR A 49 6.276 -4.705 2.542 1.00 0.00 C ATOM 676 C THR A 49 5.584 -3.798 1.531 1.00 0.00 C ATOM 677 O THR A 49 5.840 -2.595 1.485 1.00 0.00 O ATOM 678 CB THR A 49 5.772 -4.357 3.955 1.00 0.00 C ATOM 679 OG1 THR A 49 6.671 -4.882 4.938 1.00 0.00 O ATOM 680 CG2 THR A 49 4.377 -4.917 4.186 1.00 0.00 C ATOM 0 H THR A 49 8.179 -4.284 3.311 1.00 0.00 H new ATOM 0 HA THR A 49 6.031 -5.744 2.323 1.00 0.00 H new ATOM 0 HB THR A 49 5.729 -3.272 4.044 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.345 -4.655 5.834 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.043 -4.658 5.191 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.689 -4.493 3.454 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.398 -6.002 4.079 1.00 0.00 H new ATOM 688 N ALA A 50 4.705 -4.382 0.722 1.00 0.00 N ATOM 689 CA ALA A 50 3.974 -3.625 -0.286 1.00 0.00 C ATOM 690 C ALA A 50 3.652 -2.219 0.209 1.00 0.00 C ATOM 691 O ALA A 50 3.615 -1.268 -0.573 1.00 0.00 O ATOM 692 CB ALA A 50 2.697 -4.357 -0.672 1.00 0.00 C ATOM 0 H ALA A 50 4.482 -5.377 0.746 1.00 0.00 H new ATOM 0 HA ALA A 50 4.608 -3.534 -1.168 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.161 -3.780 -1.426 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.948 -5.338 -1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.066 -4.478 0.209 1.00 0.00 H new ATOM 698 N LEU A 51 3.418 -2.095 1.510 1.00 0.00 N ATOM 699 CA LEU A 51 3.097 -0.804 2.110 1.00 0.00 C ATOM 700 C LEU A 51 4.191 0.218 1.819 1.00 0.00 C ATOM 701 O LEU A 51 3.911 1.334 1.381 1.00 0.00 O ATOM 702 CB LEU A 51 2.912 -0.954 3.621 1.00 0.00 C ATOM 703 CG LEU A 51 1.947 -2.050 4.074 1.00 0.00 C ATOM 704 CD1 LEU A 51 2.176 -2.392 5.538 1.00 0.00 C ATOM 705 CD2 LEU A 51 0.506 -1.621 3.844 1.00 0.00 C ATOM 0 H LEU A 51 3.444 -2.872 2.170 1.00 0.00 H new ATOM 0 HA LEU A 51 2.166 -0.447 1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.887 -1.148 4.069 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.562 -0.002 4.020 1.00 0.00 H new ATOM 0 HG LEU A 51 2.138 -2.943 3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.480 -3.174 5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.199 -2.744 5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.014 -1.504 6.149 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.166 -2.414 4.172 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.302 -0.713 4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.349 -1.428 2.783 1.00 0.00 H new ATOM 717 N TRP A 52 5.437 -0.171 2.064 1.00 0.00 N ATOM 718 CA TRP A 52 6.574 0.711 1.826 1.00 0.00 C ATOM 719 C TRP A 52 6.563 1.240 0.396 1.00 0.00 C ATOM 720 O TRP A 52 6.620 2.449 0.170 1.00 0.00 O ATOM 721 CB TRP A 52 7.885 -0.027 2.100 1.00 0.00 C ATOM 722 CG TRP A 52 8.138 -0.269 3.557 1.00 0.00 C ATOM 723 CD1 TRP A 52 7.938 -1.434 4.242 1.00 0.00 C ATOM 724 CD2 TRP A 52 8.636 0.678 4.509 1.00 0.00 C ATOM 725 NE1 TRP A 52 8.282 -1.268 5.562 1.00 0.00 N ATOM 726 CE2 TRP A 52 8.713 0.018 5.751 1.00 0.00 C ATOM 727 CE3 TRP A 52 9.025 2.017 4.433 1.00 0.00 C ATOM 728 CZ2 TRP A 52 9.163 0.654 6.905 1.00 0.00 C ATOM 729 CZ3 TRP A 52 9.471 2.648 5.579 1.00 0.00 C ATOM 730 CH2 TRP A 52 9.538 1.966 6.801 1.00 0.00 C ATOM 0 H TRP A 52 5.686 -1.091 2.427 1.00 0.00 H new ATOM 0 HA TRP A 52 6.493 1.558 2.507 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.871 -0.983 1.577 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.712 0.550 1.686 1.00 0.00 H new ATOM 0 HD1 TRP A 52 7.565 -2.351 3.810 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.225 -1.986 6.284 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.978 2.550 3.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.214 0.131 7.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 9.773 3.684 5.532 1.00 0.00 H new ATOM 0 HH2 TRP A 52 9.893 2.486 7.679 1.00 0.00 H new ATOM 741 N LYS A 53 6.488 0.328 -0.567 1.00 0.00 N ATOM 742 CA LYS A 53 6.468 0.702 -1.976 1.00 0.00 C ATOM 743 C LYS A 53 5.608 1.943 -2.197 1.00 0.00 C ATOM 744 O LYS A 53 5.979 2.840 -2.954 1.00 0.00 O ATOM 745 CB LYS A 53 5.938 -0.456 -2.824 1.00 0.00 C ATOM 746 CG LYS A 53 6.979 -1.524 -3.114 1.00 0.00 C ATOM 747 CD LYS A 53 6.399 -2.659 -3.941 1.00 0.00 C ATOM 748 CE LYS A 53 7.465 -3.327 -4.796 1.00 0.00 C ATOM 749 NZ LYS A 53 6.870 -4.085 -5.932 1.00 0.00 N ATOM 0 H LYS A 53 6.440 -0.677 -0.397 1.00 0.00 H new ATOM 0 HA LYS A 53 7.489 0.930 -2.281 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.093 -0.914 -2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.562 -0.062 -3.768 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.820 -1.079 -3.645 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.368 -1.919 -2.175 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.946 -3.398 -3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.605 -2.275 -4.582 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.148 -2.570 -5.182 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.055 -4.003 -4.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.629 -4.525 -6.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.238 -4.824 -5.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.327 -3.435 -6.536 1.00 0.00 H new ATOM 763 N HIS A 54 4.459 1.988 -1.530 1.00 0.00 N ATOM 764 CA HIS A 54 3.548 3.120 -1.653 1.00 0.00 C ATOM 765 C HIS A 54 4.108 4.347 -0.939 1.00 0.00 C ATOM 766 O HIS A 54 4.080 5.456 -1.475 1.00 0.00 O ATOM 767 CB HIS A 54 2.177 2.763 -1.078 1.00 0.00 C ATOM 768 CG HIS A 54 1.203 3.901 -1.102 1.00 0.00 C ATOM 769 ND1 HIS A 54 0.625 4.373 -2.262 1.00 0.00 N ATOM 770 CD2 HIS A 54 0.704 4.660 -0.099 1.00 0.00 C ATOM 771 CE1 HIS A 54 -0.185 5.374 -1.971 1.00 0.00 C ATOM 772 NE2 HIS A 54 -0.156 5.568 -0.665 1.00 0.00 N ATOM 0 H HIS A 54 4.137 1.254 -0.899 1.00 0.00 H new ATOM 0 HA HIS A 54 3.440 3.355 -2.712 1.00 0.00 H new ATOM 0 HB2 HIS A 54 1.762 1.928 -1.642 1.00 0.00 H new ATOM 0 HB3 HIS A 54 2.301 2.423 -0.050 1.00 0.00 H new ATOM 0 HD1 HIS A 54 0.797 4.006 -3.198 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.939 4.568 0.951 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -0.772 5.938 -2.681 1.00 0.00 H new ATOM 780 N LEU A 55 4.615 4.142 0.271 1.00 0.00 N ATOM 781 CA LEU A 55 5.180 5.232 1.059 1.00 0.00 C ATOM 782 C LEU A 55 6.316 5.916 0.305 1.00 0.00 C ATOM 783 O LEU A 55 6.392 7.144 0.255 1.00 0.00 O ATOM 784 CB LEU A 55 5.689 4.706 2.402 1.00 0.00 C ATOM 785 CG LEU A 55 4.663 3.976 3.270 1.00 0.00 C ATOM 786 CD1 LEU A 55 5.342 3.316 4.460 1.00 0.00 C ATOM 787 CD2 LEU A 55 3.580 4.938 3.737 1.00 0.00 C ATOM 0 H LEU A 55 4.647 3.231 0.728 1.00 0.00 H new ATOM 0 HA LEU A 55 4.393 5.965 1.237 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.522 4.029 2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.085 5.546 2.972 1.00 0.00 H new ATOM 0 HG LEU A 55 4.195 3.197 2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.596 2.802 5.066 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.080 2.596 4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.838 4.076 5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.858 4.402 4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.032 5.739 4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.073 5.363 2.871 1.00 0.00 H new ATOM 799 N LYS A 56 7.197 5.114 -0.283 1.00 0.00 N ATOM 800 CA LYS A 56 8.327 5.640 -1.039 1.00 0.00 C ATOM 801 C LYS A 56 7.890 6.088 -2.430 1.00 0.00 C ATOM 802 O LYS A 56 8.656 6.718 -3.159 1.00 0.00 O ATOM 803 CB LYS A 56 9.427 4.583 -1.153 1.00 0.00 C ATOM 804 CG LYS A 56 9.849 3.997 0.183 1.00 0.00 C ATOM 805 CD LYS A 56 10.297 2.552 0.041 1.00 0.00 C ATOM 806 CE LYS A 56 11.073 2.086 1.264 1.00 0.00 C ATOM 807 NZ LYS A 56 12.444 2.664 1.304 1.00 0.00 N ATOM 0 H LYS A 56 7.150 4.096 -0.250 1.00 0.00 H new ATOM 0 HA LYS A 56 8.718 6.506 -0.505 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.079 3.777 -1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.297 5.027 -1.636 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.661 4.591 0.602 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.017 4.054 0.885 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.426 1.913 -0.104 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.920 2.449 -0.848 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.533 2.370 2.167 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.138 0.998 1.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.130 1.916 1.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.674 3.075 0.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.487 3.405 2.032 1.00 0.00 H new ATOM 821 N SER A 57 6.655 5.758 -2.792 1.00 0.00 N ATOM 822 CA SER A 57 6.117 6.124 -4.098 1.00 0.00 C ATOM 823 C SER A 57 5.584 7.553 -4.084 1.00 0.00 C ATOM 824 O SER A 57 5.742 8.295 -5.053 1.00 0.00 O ATOM 825 CB SER A 57 5.004 5.156 -4.504 1.00 0.00 C ATOM 826 OG SER A 57 4.415 5.544 -5.733 1.00 0.00 O ATOM 0 H SER A 57 6.007 5.238 -2.200 1.00 0.00 H new ATOM 0 HA SER A 57 6.925 6.063 -4.827 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.409 4.148 -4.593 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.242 5.126 -3.725 1.00 0.00 H new ATOM 0 HG SER A 57 3.708 4.909 -5.972 1.00 0.00 H new ATOM 832 N MET A 58 4.952 7.932 -2.978 1.00 0.00 N ATOM 833 CA MET A 58 4.396 9.273 -2.837 1.00 0.00 C ATOM 834 C MET A 58 4.855 9.917 -1.533 1.00 0.00 C ATOM 835 O MET A 58 5.098 11.123 -1.477 1.00 0.00 O ATOM 836 CB MET A 58 2.867 9.222 -2.884 1.00 0.00 C ATOM 837 CG MET A 58 2.244 8.551 -1.671 1.00 0.00 C ATOM 838 SD MET A 58 0.495 8.946 -1.481 1.00 0.00 S ATOM 839 CE MET A 58 -0.080 8.756 -3.166 1.00 0.00 C ATOM 0 H MET A 58 4.812 7.330 -2.167 1.00 0.00 H new ATOM 0 HA MET A 58 4.758 9.879 -3.668 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.480 10.238 -2.966 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.557 8.689 -3.783 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.361 7.471 -1.758 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.782 8.859 -0.774 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.161 8.614 -3.168 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.169 9.649 -3.738 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.401 7.889 -3.619 1.00 0.00 H new ATOM 849 N HIS A 59 4.971 9.106 -0.486 1.00 0.00 N ATOM 850 CA HIS A 59 5.401 9.598 0.818 1.00 0.00 C ATOM 851 C HIS A 59 6.918 9.516 0.956 1.00 0.00 C ATOM 852 O HIS A 59 7.453 9.553 2.064 1.00 0.00 O ATOM 853 CB HIS A 59 4.732 8.797 1.935 1.00 0.00 C ATOM 854 CG HIS A 59 3.236 8.812 1.869 1.00 0.00 C ATOM 855 ND1 HIS A 59 2.484 9.950 2.071 1.00 0.00 N ATOM 856 CD2 HIS A 59 2.351 7.818 1.619 1.00 0.00 C ATOM 857 CE1 HIS A 59 1.202 9.656 1.950 1.00 0.00 C ATOM 858 NE2 HIS A 59 1.094 8.369 1.675 1.00 0.00 N ATOM 0 H HIS A 59 4.773 8.106 -0.515 1.00 0.00 H new ATOM 0 HA HIS A 59 5.102 10.643 0.901 1.00 0.00 H new ATOM 0 HB2 HIS A 59 5.079 7.765 1.889 1.00 0.00 H new ATOM 0 HB3 HIS A 59 5.049 9.197 2.898 1.00 0.00 H new ATOM 0 HD1 HIS A 59 2.859 10.875 2.281 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.589 6.785 1.414 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.382 10.350 2.058 1.00 0.00 H new ATOM 866 N ARG A 60 7.606 9.404 -0.176 1.00 0.00 N ATOM 867 CA ARG A 60 9.061 9.315 -0.181 1.00 0.00 C ATOM 868 C ARG A 60 9.675 10.407 0.689 1.00 0.00 C ATOM 869 O ARG A 60 10.684 10.186 1.359 1.00 0.00 O ATOM 870 CB ARG A 60 9.595 9.425 -1.610 1.00 0.00 C ATOM 871 CG ARG A 60 11.048 9.865 -1.685 1.00 0.00 C ATOM 872 CD ARG A 60 11.168 11.379 -1.767 1.00 0.00 C ATOM 873 NE ARG A 60 12.445 11.797 -2.340 1.00 0.00 N ATOM 874 CZ ARG A 60 12.640 12.975 -2.920 1.00 0.00 C ATOM 875 NH1 ARG A 60 11.646 13.849 -3.004 1.00 0.00 N ATOM 876 NH2 ARG A 60 13.831 13.283 -3.417 1.00 0.00 N ATOM 0 H ARG A 60 7.179 9.373 -1.102 1.00 0.00 H new ATOM 0 HA ARG A 60 9.342 8.346 0.231 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.491 8.459 -2.103 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.980 10.134 -2.165 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.585 9.503 -0.808 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.521 9.414 -2.557 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.352 11.775 -2.372 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.061 11.806 -0.770 1.00 0.00 H new ATOM 0 HE ARG A 60 13.230 11.148 -2.292 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.729 13.617 -2.622 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.799 14.753 -3.450 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.598 12.614 -3.354 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.979 14.189 -3.862 1.00 0.00 H new ATOM 890 N GLU A 61 9.060 11.585 0.673 1.00 0.00 N ATOM 891 CA GLU A 61 9.548 12.712 1.460 1.00 0.00 C ATOM 892 C GLU A 61 9.182 12.547 2.932 1.00 0.00 C ATOM 893 O GLU A 61 9.982 12.848 3.818 1.00 0.00 O ATOM 894 CB GLU A 61 8.972 14.024 0.924 1.00 0.00 C ATOM 895 CG GLU A 61 9.574 14.456 -0.403 1.00 0.00 C ATOM 896 CD GLU A 61 8.710 15.465 -1.134 1.00 0.00 C ATOM 897 OE1 GLU A 61 7.469 15.375 -1.025 1.00 0.00 O ATOM 898 OE2 GLU A 61 9.275 16.346 -1.815 1.00 0.00 O ATOM 0 H GLU A 61 8.224 11.784 0.124 1.00 0.00 H new ATOM 0 HA GLU A 61 10.634 12.738 1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.894 13.916 0.806 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.135 14.811 1.661 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.560 14.887 -0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.717 13.580 -1.035 1.00 0.00 H new ATOM 905 N GLU A 62 7.969 12.067 3.184 1.00 0.00 N ATOM 906 CA GLU A 62 7.496 11.863 4.549 1.00 0.00 C ATOM 907 C GLU A 62 8.429 10.928 5.313 1.00 0.00 C ATOM 908 O GLU A 62 8.807 11.205 6.452 1.00 0.00 O ATOM 909 CB GLU A 62 6.077 11.291 4.541 1.00 0.00 C ATOM 910 CG GLU A 62 5.274 11.638 5.783 1.00 0.00 C ATOM 911 CD GLU A 62 3.786 11.727 5.510 1.00 0.00 C ATOM 912 OE1 GLU A 62 3.320 11.082 4.547 1.00 0.00 O ATOM 913 OE2 GLU A 62 3.086 12.442 6.257 1.00 0.00 O ATOM 0 H GLU A 62 7.296 11.812 2.462 1.00 0.00 H new ATOM 0 HA GLU A 62 7.487 12.830 5.052 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.550 11.662 3.662 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.132 10.207 4.445 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.454 10.885 6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.624 12.590 6.183 1.00 0.00 H new ATOM 920 N LEU A 63 8.796 9.820 4.679 1.00 0.00 N ATOM 921 CA LEU A 63 9.685 8.843 5.299 1.00 0.00 C ATOM 922 C LEU A 63 11.018 9.480 5.675 1.00 0.00 C ATOM 923 O LEU A 63 11.459 9.389 6.820 1.00 0.00 O ATOM 924 CB LEU A 63 9.919 7.665 4.352 1.00 0.00 C ATOM 925 CG LEU A 63 8.668 6.912 3.895 1.00 0.00 C ATOM 926 CD1 LEU A 63 9.026 5.871 2.846 1.00 0.00 C ATOM 927 CD2 LEU A 63 7.975 6.260 5.082 1.00 0.00 C ATOM 0 H LEU A 63 8.492 9.575 3.737 1.00 0.00 H new ATOM 0 HA LEU A 63 9.208 8.481 6.209 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.440 8.033 3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.586 6.957 4.843 1.00 0.00 H new ATOM 0 HG LEU A 63 7.979 7.628 3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.124 5.345 2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.477 6.363 1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.734 5.158 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.087 5.729 4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.657 5.556 5.560 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.684 7.027 5.800 1.00 0.00 H new ATOM 939 N GLU A 64 11.653 10.128 4.703 1.00 0.00 N ATOM 940 CA GLU A 64 12.936 10.783 4.934 1.00 0.00 C ATOM 941 C GLU A 64 12.921 11.563 6.245 1.00 0.00 C ATOM 942 O GLU A 64 13.845 11.463 7.052 1.00 0.00 O ATOM 943 CB GLU A 64 13.271 11.721 3.772 1.00 0.00 C ATOM 944 CG GLU A 64 13.655 10.994 2.494 1.00 0.00 C ATOM 945 CD GLU A 64 14.157 11.935 1.417 1.00 0.00 C ATOM 946 OE1 GLU A 64 13.321 12.461 0.652 1.00 0.00 O ATOM 947 OE2 GLU A 64 15.385 12.146 1.338 1.00 0.00 O ATOM 0 H GLU A 64 11.301 10.213 3.750 1.00 0.00 H new ATOM 0 HA GLU A 64 13.703 10.011 5.001 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.411 12.360 3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.091 12.375 4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.427 10.258 2.717 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.791 10.446 2.119 1.00 0.00 H new ATOM 954 N LYS A 65 11.864 12.343 6.450 1.00 0.00 N ATOM 955 CA LYS A 65 11.726 13.141 7.662 1.00 0.00 C ATOM 956 C LYS A 65 11.794 12.260 8.905 1.00 0.00 C ATOM 957 O LYS A 65 12.482 12.586 9.872 1.00 0.00 O ATOM 958 CB LYS A 65 10.403 13.911 7.642 1.00 0.00 C ATOM 959 CG LYS A 65 10.393 15.077 6.667 1.00 0.00 C ATOM 960 CD LYS A 65 9.210 15.998 6.912 1.00 0.00 C ATOM 961 CE LYS A 65 7.899 15.341 6.505 1.00 0.00 C ATOM 962 NZ LYS A 65 7.672 15.420 5.035 1.00 0.00 N ATOM 0 H LYS A 65 11.091 12.439 5.792 1.00 0.00 H new ATOM 0 HA LYS A 65 12.553 13.851 7.696 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.597 13.225 7.383 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.194 14.285 8.645 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.321 15.641 6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.355 14.698 5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.171 16.269 7.967 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.345 16.923 6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.904 14.296 6.816 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.073 15.825 7.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.769 14.962 4.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.641 16.417 4.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.447 14.936 4.538 1.00 0.00 H new ATOM 976 N SER A 66 11.077 11.141 8.872 1.00 0.00 N ATOM 977 CA SER A 66 11.054 10.214 9.997 1.00 0.00 C ATOM 978 C SER A 66 12.433 9.603 10.225 1.00 0.00 C ATOM 979 O SER A 66 12.999 9.707 11.313 1.00 0.00 O ATOM 980 CB SER A 66 10.027 9.106 9.751 1.00 0.00 C ATOM 981 OG SER A 66 8.711 9.630 9.713 1.00 0.00 O ATOM 0 H SER A 66 10.504 10.855 8.078 1.00 0.00 H new ATOM 0 HA SER A 66 10.770 10.771 10.890 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.249 8.603 8.810 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.101 8.356 10.539 1.00 0.00 H new ATOM 0 HG SER A 66 8.074 8.903 9.553 1.00 0.00 H new ATOM 987 N GLY A 67 12.970 8.964 9.189 1.00 0.00 N ATOM 988 CA GLY A 67 14.278 8.346 9.296 1.00 0.00 C ATOM 989 C GLY A 67 14.272 6.897 8.851 1.00 0.00 C ATOM 990 O GLY A 67 14.866 6.037 9.502 1.00 0.00 O ATOM 0 H GLY A 67 12.522 8.864 8.278 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.992 8.906 8.691 1.00 0.00 H new ATOM 0 HA3 GLY A 67 14.621 8.404 10.329 1.00 0.00 H new ATOM 994 N HIS A 68 13.598 6.623 7.738 1.00 0.00 N ATOM 995 CA HIS A 68 13.516 5.267 7.207 1.00 0.00 C ATOM 996 C HIS A 68 14.066 5.207 5.785 1.00 0.00 C ATOM 997 O HIS A 68 13.311 5.254 4.815 1.00 0.00 O ATOM 998 CB HIS A 68 12.068 4.775 7.228 1.00 0.00 C ATOM 999 CG HIS A 68 11.534 4.544 8.608 1.00 0.00 C ATOM 1000 ND1 HIS A 68 11.552 3.311 9.225 1.00 0.00 N ATOM 1001 CD2 HIS A 68 10.967 5.398 9.492 1.00 0.00 C ATOM 1002 CE1 HIS A 68 11.017 3.416 10.429 1.00 0.00 C ATOM 1003 NE2 HIS A 68 10.654 4.672 10.616 1.00 0.00 N ATOM 0 H HIS A 68 13.101 7.322 7.187 1.00 0.00 H new ATOM 0 HA HIS A 68 14.121 4.618 7.840 1.00 0.00 H new ATOM 0 HB2 HIS A 68 11.437 5.505 6.721 1.00 0.00 H new ATOM 0 HB3 HIS A 68 12.000 3.847 6.661 1.00 0.00 H new ATOM 0 HD2 HIS A 68 10.793 6.453 9.342 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.897 2.611 11.139 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.213 5.043 11.458 1.00 0.00 H new ATOM 1011 N GLY A 69 15.386 5.102 5.670 1.00 0.00 N ATOM 1012 CA GLY A 69 16.014 5.038 4.364 1.00 0.00 C ATOM 1013 C GLY A 69 15.633 3.786 3.598 1.00 0.00 C ATOM 1014 O GLY A 69 15.176 3.864 2.458 1.00 0.00 O ATOM 0 H GLY A 69 16.032 5.060 6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.729 5.916 3.784 1.00 0.00 H new ATOM 0 HA3 GLY A 69 17.097 5.072 4.483 1.00 0.00 H new ATOM 1018 N GLN A 70 15.823 2.630 4.225 1.00 0.00 N ATOM 1019 CA GLN A 70 15.497 1.357 3.594 1.00 0.00 C ATOM 1020 C GLN A 70 14.655 0.488 4.522 1.00 0.00 C ATOM 1021 O GLN A 70 13.601 -0.013 4.132 1.00 0.00 O ATOM 1022 CB GLN A 70 16.777 0.615 3.205 1.00 0.00 C ATOM 1023 CG GLN A 70 17.343 1.042 1.860 1.00 0.00 C ATOM 1024 CD GLN A 70 17.965 2.424 1.901 1.00 0.00 C ATOM 1025 OE1 GLN A 70 18.917 2.667 2.643 1.00 0.00 O ATOM 1026 NE2 GLN A 70 17.429 3.339 1.101 1.00 0.00 N ATOM 0 H GLN A 70 16.201 2.549 5.169 1.00 0.00 H new ATOM 0 HA GLN A 70 14.917 1.564 2.695 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.530 0.779 3.975 1.00 0.00 H new ATOM 0 HB3 GLN A 70 16.573 -0.456 3.181 1.00 0.00 H new ATOM 0 HG2 GLN A 70 18.094 0.319 1.540 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.548 1.027 1.114 1.00 0.00 H new ATOM 0 HE21 GLN A 70 16.640 3.094 0.502 1.00 0.00 H new ATOM 0 HE22 GLN A 70 17.806 4.287 1.085 1.00 0.00 H new ATOM 1035 N SER A 71 15.127 0.315 5.753 1.00 0.00 N ATOM 1036 CA SER A 71 14.418 -0.496 6.736 1.00 0.00 C ATOM 1037 C SER A 71 14.470 -1.974 6.360 1.00 0.00 C ATOM 1038 O SER A 71 13.474 -2.688 6.462 1.00 0.00 O ATOM 1039 CB SER A 71 12.963 -0.039 6.853 1.00 0.00 C ATOM 1040 OG SER A 71 12.342 -0.600 7.996 1.00 0.00 O ATOM 0 H SER A 71 15.997 0.725 6.093 1.00 0.00 H new ATOM 0 HA SER A 71 14.910 -0.366 7.700 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.924 1.049 6.911 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.414 -0.330 5.957 1.00 0.00 H new ATOM 0 HG SER A 71 12.409 -1.577 7.958 1.00 0.00 H new ATOM 1046 N GLY A 72 15.642 -2.426 5.924 1.00 0.00 N ATOM 1047 CA GLY A 72 15.804 -3.816 5.538 1.00 0.00 C ATOM 1048 C GLY A 72 16.763 -3.988 4.376 1.00 0.00 C ATOM 1049 O GLY A 72 17.950 -3.678 4.472 1.00 0.00 O ATOM 0 H GLY A 72 16.482 -1.855 5.831 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.167 -4.387 6.392 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.833 -4.230 5.268 1.00 0.00 H new ATOM 1053 N PRO A 73 16.245 -4.494 3.247 1.00 0.00 N ATOM 1054 CA PRO A 73 17.046 -4.719 2.041 1.00 0.00 C ATOM 1055 C PRO A 73 17.472 -3.414 1.376 1.00 0.00 C ATOM 1056 O PRO A 73 16.650 -2.530 1.140 1.00 0.00 O ATOM 1057 CB PRO A 73 16.099 -5.500 1.126 1.00 0.00 C ATOM 1058 CG PRO A 73 14.733 -5.116 1.579 1.00 0.00 C ATOM 1059 CD PRO A 73 14.838 -4.886 3.062 1.00 0.00 C ATOM 0 HA PRO A 73 17.976 -5.243 2.262 1.00 0.00 H new ATOM 0 HB2 PRO A 73 16.256 -5.241 0.079 1.00 0.00 H new ATOM 0 HB3 PRO A 73 16.258 -6.575 1.216 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.391 -4.216 1.068 1.00 0.00 H new ATOM 0 HG3 PRO A 73 14.012 -5.903 1.356 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.156 -4.105 3.397 1.00 0.00 H new ATOM 0 HD3 PRO A 73 14.594 -5.786 3.627 1.00 0.00 H new ATOM 1067 N SER A 74 18.763 -3.302 1.076 1.00 0.00 N ATOM 1068 CA SER A 74 19.298 -2.103 0.441 1.00 0.00 C ATOM 1069 C SER A 74 19.567 -2.348 -1.040 1.00 0.00 C ATOM 1070 O SER A 74 19.011 -1.668 -1.904 1.00 0.00 O ATOM 1071 CB SER A 74 20.586 -1.664 1.140 1.00 0.00 C ATOM 1072 OG SER A 74 20.303 -0.888 2.291 1.00 0.00 O ATOM 0 H SER A 74 19.457 -4.026 1.262 1.00 0.00 H new ATOM 0 HA SER A 74 18.556 -1.310 0.531 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.167 -2.542 1.423 1.00 0.00 H new ATOM 0 HB3 SER A 74 21.199 -1.085 0.449 1.00 0.00 H new ATOM 0 HG SER A 74 21.143 -0.621 2.720 1.00 0.00 H new ATOM 1078 N SER A 75 20.424 -3.323 -1.327 1.00 0.00 N ATOM 1079 CA SER A 75 20.771 -3.655 -2.704 1.00 0.00 C ATOM 1080 C SER A 75 19.687 -4.517 -3.344 1.00 0.00 C ATOM 1081 O SER A 75 19.787 -5.743 -3.369 1.00 0.00 O ATOM 1082 CB SER A 75 22.114 -4.386 -2.752 1.00 0.00 C ATOM 1083 OG SER A 75 23.185 -3.503 -2.464 1.00 0.00 O ATOM 0 H SER A 75 20.891 -3.897 -0.624 1.00 0.00 H new ATOM 0 HA SER A 75 20.851 -2.725 -3.267 1.00 0.00 H new ATOM 0 HB2 SER A 75 22.111 -5.206 -2.034 1.00 0.00 H new ATOM 0 HB3 SER A 75 22.257 -4.827 -3.739 1.00 0.00 H new ATOM 0 HG SER A 75 24.032 -3.994 -2.499 1.00 0.00 H new ATOM 1089 N GLY A 76 18.650 -3.865 -3.862 1.00 0.00 N ATOM 1090 CA GLY A 76 17.562 -4.587 -4.495 1.00 0.00 C ATOM 1091 C GLY A 76 16.211 -4.237 -3.902 1.00 0.00 C ATOM 1092 O GLY A 76 15.847 -4.797 -2.870 1.00 0.00 O ATOM 0 H GLY A 76 18.544 -2.851 -3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 76 17.555 -4.365 -5.562 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.733 -5.659 -4.393 1.00 0.00 H new TER 1096 GLY A 76 HETATM 1097 ZN ZN A 201 -0.630 6.846 1.268 1.00 0.00 ZN