USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 970 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 46 HIS HD1 : A 46 HIS ND1 : A 121 CU1CU :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 121 CU1CU :(H bumps) USER MOD Set 1.1: A 1 GLY N :NH3+ -166:sc= 0.487 (180deg=0) USER MOD Set 1.2: A 2 SER OG : rot -134:sc= 0.374 USER MOD Single : A 4 THR OG1 : rot 60:sc= 0.344 USER MOD Single : A 11 SER OG : rot 155:sc= 1.22 USER MOD Single : A 15 ASN : amide:sc= -0.95 K(o=-0.95,f=-0.0071) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 145:sc= 0.683 USER MOD Single : A 24 ASN : amide:sc= 0.136 K(o=0.14,f=-3.4!) USER MOD Single : A 37 THR OG1 : rot 94:sc= 0.185 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0233 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -146:sc= -0.0402 (180deg=-1.67!) USER MOD Single : A 57 LYS NZ :NH3+ 153:sc= 0.532 (180deg=-0.781) USER MOD Single : A 59 MET CE :methyl 157:sc= -0.0576 (180deg=-0.572) USER MOD Single : A 61 MET CE :methyl -170:sc= -0.0222 (180deg=-0.207) USER MOD Single : A 72 LYS NZ :NH3+ 171:sc= 1.25 (180deg=1.09) USER MOD Single : A 78 LYS NZ :NH3+ 141:sc= 0.626 (180deg=-3.82!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -151:sc= 0 (180deg=-0.111) USER MOD Single : A 90 LYS NZ :NH3+ -177:sc= 1.67 (180deg=1.66) USER MOD Single : A 94 LYS NZ :NH3+ 174:sc=-0.00652 (180deg=-0.0818) USER MOD Single : A 109 LYS NZ :NH3+ -140:sc= 1.1 (180deg=0.0194) USER MOD Single : A 112 LYS NZ :NH3+ -177:sc= 1.1 (180deg=0.952) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.003 -9.286 11.869 1.00 12.54 N ATOM 2 CA GLY A 1 14.641 -8.877 13.235 1.00 11.90 C ATOM 3 C GLY A 1 14.083 -7.494 13.084 1.00 10.89 C ATOM 4 O GLY A 1 14.836 -6.615 12.699 1.00 11.16 O ATOM 0 H1 GLY A 1 15.176 -10.311 11.848 1.00 12.54 H new ATOM 0 H2 GLY A 1 14.225 -9.053 11.219 1.00 12.54 H new ATOM 0 H3 GLY A 1 15.864 -8.784 11.573 1.00 12.54 H new ATOM 0 HA2 GLY A 1 13.906 -9.555 13.670 1.00 11.90 H new ATOM 0 HA3 GLY A 1 15.510 -8.884 13.893 1.00 11.90 H new ATOM 10 N SER A 2 12.766 -7.376 13.172 1.00 10.06 N ATOM 11 CA SER A 2 11.980 -6.498 12.299 1.00 9.32 C ATOM 12 C SER A 2 10.485 -6.813 12.471 1.00 8.16 C ATOM 13 O SER A 2 10.161 -7.881 13.007 1.00 8.48 O ATOM 14 CB SER A 2 12.415 -6.654 10.823 1.00 10.40 C ATOM 15 OG SER A 2 12.769 -7.995 10.445 1.00 11.65 O ATOM 0 H SER A 2 12.204 -7.887 13.853 1.00 10.06 H new ATOM 0 HA SER A 2 12.158 -5.461 12.583 1.00 9.32 H new ATOM 0 HB2 SER A 2 11.604 -6.311 10.180 1.00 10.40 H new ATOM 0 HB3 SER A 2 13.267 -6.001 10.638 1.00 10.40 H new ATOM 0 HG SER A 2 13.606 -7.981 9.935 1.00 11.65 H new ATOM 21 N PHE A 3 9.587 -5.917 12.031 1.00 7.19 N ATOM 22 CA PHE A 3 8.144 -5.973 12.303 1.00 6.19 C ATOM 23 C PHE A 3 7.286 -5.166 11.303 1.00 5.30 C ATOM 24 O PHE A 3 7.670 -4.110 10.809 1.00 5.62 O ATOM 25 CB PHE A 3 7.849 -5.566 13.761 1.00 6.27 C ATOM 26 CG PHE A 3 7.862 -4.075 14.084 1.00 6.32 C ATOM 27 CD1 PHE A 3 9.004 -3.286 13.833 1.00 7.14 C ATOM 28 CD2 PHE A 3 6.728 -3.475 14.671 1.00 6.32 C ATOM 29 CE1 PHE A 3 9.006 -1.916 14.147 1.00 7.90 C ATOM 30 CE2 PHE A 3 6.734 -2.107 14.996 1.00 7.02 C ATOM 31 CZ PHE A 3 7.870 -1.327 14.728 1.00 7.79 C ATOM 0 H PHE A 3 9.853 -5.113 11.462 1.00 7.19 H new ATOM 0 HA PHE A 3 7.847 -7.012 12.160 1.00 6.19 H new ATOM 0 HB2 PHE A 3 6.870 -5.962 14.031 1.00 6.27 H new ATOM 0 HB3 PHE A 3 8.580 -6.057 14.404 1.00 6.27 H new ATOM 0 HD1 PHE A 3 9.883 -3.738 13.397 1.00 7.14 H new ATOM 0 HD2 PHE A 3 5.850 -4.070 14.872 1.00 6.32 H new ATOM 0 HE1 PHE A 3 9.880 -1.316 13.942 1.00 7.90 H new ATOM 0 HE2 PHE A 3 5.865 -1.656 15.452 1.00 7.02 H new ATOM 0 HZ PHE A 3 7.871 -0.274 14.968 1.00 7.79 H new ATOM 41 N THR A 4 6.085 -5.688 11.018 1.00 4.76 N ATOM 42 CA THR A 4 5.231 -5.288 9.886 1.00 4.53 C ATOM 43 C THR A 4 4.053 -4.425 10.337 1.00 2.97 C ATOM 44 O THR A 4 2.896 -4.838 10.226 1.00 3.79 O ATOM 45 CB THR A 4 4.778 -6.537 9.120 1.00 6.23 C ATOM 46 OG1 THR A 4 4.041 -7.370 9.985 1.00 6.88 O ATOM 47 CG2 THR A 4 5.958 -7.338 8.570 1.00 7.52 C ATOM 0 H THR A 4 5.666 -6.424 11.586 1.00 4.76 H new ATOM 0 HA THR A 4 5.814 -4.663 9.210 1.00 4.53 H new ATOM 0 HB THR A 4 4.171 -6.201 8.279 1.00 6.23 H new ATOM 0 HG1 THR A 4 3.257 -6.885 10.318 1.00 6.88 H new ATOM 0 HG21 THR A 4 5.587 -8.213 8.036 1.00 7.52 H new ATOM 0 HG22 THR A 4 6.535 -6.714 7.888 1.00 7.52 H new ATOM 0 HG23 THR A 4 6.595 -7.660 9.394 1.00 7.52 H new ATOM 55 N GLU A 5 4.346 -3.245 10.889 1.00 1.63 N ATOM 56 CA GLU A 5 3.348 -2.338 11.484 1.00 1.28 C ATOM 57 C GLU A 5 2.565 -1.554 10.411 1.00 1.06 C ATOM 58 O GLU A 5 2.798 -0.375 10.135 1.00 1.39 O ATOM 59 CB GLU A 5 4.018 -1.446 12.548 1.00 2.60 C ATOM 60 CG GLU A 5 3.004 -0.587 13.326 1.00 4.16 C ATOM 61 CD GLU A 5 3.489 -0.253 14.740 1.00 5.35 C ATOM 62 OE1 GLU A 5 3.258 -1.104 15.630 1.00 5.71 O ATOM 63 OE2 GLU A 5 4.080 0.835 14.924 1.00 6.37 O ATOM 0 H GLU A 5 5.298 -2.882 10.938 1.00 1.63 H new ATOM 0 HA GLU A 5 2.590 -2.930 11.997 1.00 1.28 H new ATOM 0 HB2 GLU A 5 4.569 -2.074 13.248 1.00 2.60 H new ATOM 0 HB3 GLU A 5 4.745 -0.794 12.064 1.00 2.60 H new ATOM 0 HG2 GLU A 5 2.820 0.338 12.780 1.00 4.16 H new ATOM 0 HG3 GLU A 5 2.053 -1.116 13.386 1.00 4.16 H new ATOM 70 N GLY A 6 1.623 -2.245 9.758 1.00 1.00 N ATOM 71 CA GLY A 6 0.687 -1.655 8.800 1.00 0.89 C ATOM 72 C GLY A 6 -0.684 -2.310 8.888 1.00 0.67 C ATOM 73 O GLY A 6 -0.888 -3.250 9.655 1.00 0.75 O ATOM 0 H GLY A 6 1.489 -3.248 9.885 1.00 1.00 H new ATOM 0 HA2 GLY A 6 0.594 -0.586 8.991 1.00 0.89 H new ATOM 0 HA3 GLY A 6 1.080 -1.765 7.789 1.00 0.89 H new ATOM 77 N TRP A 7 -1.628 -1.838 8.072 1.00 0.58 N ATOM 78 CA TRP A 7 -2.986 -2.386 7.993 1.00 0.53 C ATOM 79 C TRP A 7 -3.582 -2.245 6.590 1.00 0.51 C ATOM 80 O TRP A 7 -3.171 -1.385 5.811 1.00 0.55 O ATOM 81 CB TRP A 7 -3.902 -1.761 9.059 1.00 0.66 C ATOM 82 CG TRP A 7 -4.368 -0.348 8.848 1.00 0.66 C ATOM 83 CD1 TRP A 7 -5.614 0.016 8.462 1.00 0.78 C ATOM 84 CD2 TRP A 7 -3.653 0.903 9.095 1.00 0.91 C ATOM 85 NE1 TRP A 7 -5.734 1.389 8.494 1.00 1.08 N ATOM 86 CE2 TRP A 7 -4.553 1.991 8.877 1.00 1.21 C ATOM 87 CE3 TRP A 7 -2.347 1.228 9.521 1.00 1.09 C ATOM 88 CZ2 TRP A 7 -4.177 3.328 9.084 1.00 1.64 C ATOM 89 CZ3 TRP A 7 -1.957 2.566 9.721 1.00 1.51 C ATOM 90 CH2 TRP A 7 -2.870 3.614 9.514 1.00 1.78 C ATOM 0 H TRP A 7 -1.470 -1.054 7.439 1.00 0.58 H new ATOM 0 HA TRP A 7 -2.914 -3.454 8.201 1.00 0.53 H new ATOM 0 HB2 TRP A 7 -4.785 -2.393 9.153 1.00 0.66 H new ATOM 0 HB3 TRP A 7 -3.378 -1.801 10.014 1.00 0.66 H new ATOM 0 HD1 TRP A 7 -6.398 -0.668 8.172 1.00 0.78 H new ATOM 0 HE1 TRP A 7 -6.588 1.896 8.264 1.00 1.08 H new ATOM 0 HE3 TRP A 7 -1.634 0.436 9.697 1.00 1.09 H new ATOM 0 HZ2 TRP A 7 -4.884 4.127 8.915 1.00 1.64 H new ATOM 0 HZ3 TRP A 7 -0.948 2.789 10.036 1.00 1.51 H new ATOM 0 HH2 TRP A 7 -2.568 4.637 9.685 1.00 1.78 H new ATOM 101 N VAL A 8 -4.563 -3.078 6.253 1.00 0.68 N ATOM 102 CA VAL A 8 -5.324 -2.980 4.996 1.00 0.81 C ATOM 103 C VAL A 8 -6.627 -2.235 5.299 1.00 0.87 C ATOM 104 O VAL A 8 -7.170 -2.373 6.391 1.00 0.88 O ATOM 105 CB VAL A 8 -5.557 -4.370 4.362 1.00 1.00 C ATOM 106 CG1 VAL A 8 -6.290 -4.277 3.015 1.00 1.30 C ATOM 107 CG2 VAL A 8 -4.209 -5.080 4.135 1.00 1.07 C ATOM 0 H VAL A 8 -4.861 -3.852 6.847 1.00 0.68 H new ATOM 0 HA VAL A 8 -4.759 -2.422 4.249 1.00 0.81 H new ATOM 0 HB VAL A 8 -6.178 -4.935 5.057 1.00 1.00 H new ATOM 0 HG11 VAL A 8 -6.431 -5.278 2.608 1.00 1.30 H new ATOM 0 HG12 VAL A 8 -7.261 -3.804 3.161 1.00 1.30 H new ATOM 0 HG13 VAL A 8 -5.698 -3.682 2.319 1.00 1.30 H new ATOM 0 HG21 VAL A 8 -4.384 -6.059 3.688 1.00 1.07 H new ATOM 0 HG22 VAL A 8 -3.590 -4.481 3.467 1.00 1.07 H new ATOM 0 HG23 VAL A 8 -3.697 -5.203 5.090 1.00 1.07 H new ATOM 117 N ARG A 9 -7.116 -1.399 4.378 1.00 0.93 N ATOM 118 CA ARG A 9 -8.331 -0.611 4.597 1.00 1.04 C ATOM 119 C ARG A 9 -9.577 -1.498 4.516 1.00 1.20 C ATOM 120 O ARG A 9 -9.835 -2.111 3.480 1.00 2.27 O ATOM 121 CB ARG A 9 -8.453 0.542 3.580 1.00 1.21 C ATOM 122 CG ARG A 9 -9.560 1.550 3.972 1.00 1.41 C ATOM 123 CD ARG A 9 -10.441 1.961 2.785 1.00 2.23 C ATOM 124 NE ARG A 9 -11.679 2.619 3.242 1.00 2.69 N ATOM 125 CZ ARG A 9 -12.875 2.585 2.672 1.00 3.86 C ATOM 126 NH1 ARG A 9 -13.115 1.927 1.556 1.00 4.78 N ATOM 127 NH2 ARG A 9 -13.857 3.228 3.257 1.00 4.60 N ATOM 0 H ARG A 9 -6.684 -1.251 3.466 1.00 0.93 H new ATOM 0 HA ARG A 9 -8.258 -0.182 5.597 1.00 1.04 H new ATOM 0 HB2 ARG A 9 -7.498 1.063 3.507 1.00 1.21 H new ATOM 0 HB3 ARG A 9 -8.669 0.133 2.593 1.00 1.21 H new ATOM 0 HG2 ARG A 9 -10.187 1.110 4.748 1.00 1.41 H new ATOM 0 HG3 ARG A 9 -9.099 2.440 4.401 1.00 1.41 H new ATOM 0 HD2 ARG A 9 -9.886 2.636 2.134 1.00 2.23 H new ATOM 0 HD3 ARG A 9 -10.691 1.081 2.193 1.00 2.23 H new ATOM 0 HE ARG A 9 -11.606 3.166 4.100 1.00 2.69 H new ATOM 0 HH11 ARG A 9 -12.363 1.415 1.094 1.00 4.78 H new ATOM 0 HH12 ARG A 9 -14.052 1.929 1.154 1.00 4.78 H new ATOM 0 HH21 ARG A 9 -13.688 3.735 4.126 1.00 4.60 H new ATOM 0 HH22 ARG A 9 -14.789 3.221 2.843 1.00 4.60 H new ATOM 141 N PHE A 10 -10.396 -1.412 5.560 1.00 0.70 N ATOM 142 CA PHE A 10 -11.825 -1.714 5.575 1.00 0.66 C ATOM 143 C PHE A 10 -12.545 -1.319 4.274 1.00 0.81 C ATOM 144 O PHE A 10 -12.255 -0.283 3.681 1.00 1.25 O ATOM 145 CB PHE A 10 -12.424 -0.912 6.743 1.00 1.10 C ATOM 146 CG PHE A 10 -13.930 -0.719 6.703 1.00 1.33 C ATOM 147 CD1 PHE A 10 -14.786 -1.653 7.305 1.00 1.49 C ATOM 148 CD2 PHE A 10 -14.475 0.373 5.997 1.00 2.31 C ATOM 149 CE1 PHE A 10 -16.181 -1.522 7.178 1.00 1.71 C ATOM 150 CE2 PHE A 10 -15.865 0.493 5.850 1.00 2.52 C ATOM 151 CZ PHE A 10 -16.721 -0.452 6.440 1.00 1.88 C ATOM 0 H PHE A 10 -10.060 -1.111 6.475 1.00 0.70 H new ATOM 0 HA PHE A 10 -11.957 -2.791 5.681 1.00 0.66 H new ATOM 0 HB2 PHE A 10 -12.165 -1.414 7.675 1.00 1.10 H new ATOM 0 HB3 PHE A 10 -11.950 0.069 6.767 1.00 1.10 H new ATOM 0 HD1 PHE A 10 -14.372 -2.476 7.868 1.00 1.49 H new ATOM 0 HD2 PHE A 10 -13.821 1.118 5.569 1.00 2.31 H new ATOM 0 HE1 PHE A 10 -16.837 -2.241 7.646 1.00 1.71 H new ATOM 0 HE2 PHE A 10 -16.278 1.314 5.282 1.00 2.52 H new ATOM 0 HZ PHE A 10 -17.791 -0.358 6.328 1.00 1.88 H new ATOM 161 N SER A 11 -13.587 -2.055 3.894 1.00 0.77 N ATOM 162 CA SER A 11 -14.516 -1.631 2.855 1.00 1.00 C ATOM 163 C SER A 11 -15.857 -2.377 2.931 1.00 1.10 C ATOM 164 O SER A 11 -15.876 -3.555 3.298 1.00 1.51 O ATOM 165 CB SER A 11 -13.878 -1.839 1.475 1.00 1.58 C ATOM 166 OG SER A 11 -14.480 -0.975 0.535 1.00 2.31 O ATOM 0 H SER A 11 -13.809 -2.964 4.300 1.00 0.77 H new ATOM 0 HA SER A 11 -14.726 -0.573 3.013 1.00 1.00 H new ATOM 0 HB2 SER A 11 -12.807 -1.645 1.527 1.00 1.58 H new ATOM 0 HB3 SER A 11 -14.000 -2.875 1.160 1.00 1.58 H new ATOM 0 HG SER A 11 -13.856 -0.808 -0.202 1.00 2.31 H new ATOM 172 N PRO A 12 -16.987 -1.728 2.576 1.00 1.24 N ATOM 173 CA PRO A 12 -18.274 -2.395 2.417 1.00 1.55 C ATOM 174 C PRO A 12 -18.463 -2.994 1.011 1.00 1.42 C ATOM 175 O PRO A 12 -19.472 -3.656 0.784 1.00 2.00 O ATOM 176 CB PRO A 12 -19.302 -1.289 2.679 1.00 1.99 C ATOM 177 CG PRO A 12 -18.627 -0.057 2.080 1.00 1.94 C ATOM 178 CD PRO A 12 -17.147 -0.290 2.392 1.00 1.56 C ATOM 0 HA PRO A 12 -18.369 -3.242 3.096 1.00 1.55 H new ATOM 0 HB2 PRO A 12 -20.257 -1.502 2.199 1.00 1.99 H new ATOM 0 HB3 PRO A 12 -19.501 -1.165 3.743 1.00 1.99 H new ATOM 0 HG2 PRO A 12 -18.806 0.020 1.008 1.00 1.94 H new ATOM 0 HG3 PRO A 12 -18.995 0.864 2.532 1.00 1.94 H new ATOM 0 HD2 PRO A 12 -16.517 0.070 1.578 1.00 1.56 H new ATOM 0 HD3 PRO A 12 -16.849 0.252 3.290 1.00 1.56 H new ATOM 186 N GLY A 13 -17.542 -2.739 0.063 1.00 1.00 N ATOM 187 CA GLY A 13 -17.674 -3.107 -1.351 1.00 1.12 C ATOM 188 C GLY A 13 -16.394 -3.679 -1.981 1.00 0.90 C ATOM 189 O GLY A 13 -15.388 -3.842 -1.290 1.00 1.07 O ATOM 0 H GLY A 13 -16.666 -2.259 0.269 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -18.473 -3.842 -1.449 1.00 1.12 H new ATOM 0 HA3 GLY A 13 -17.980 -2.226 -1.916 1.00 1.12 H new ATOM 193 N PRO A 14 -16.421 -3.974 -3.299 1.00 0.97 N ATOM 194 CA PRO A 14 -15.373 -4.720 -4.005 1.00 1.05 C ATOM 195 C PRO A 14 -14.032 -3.988 -4.140 1.00 0.81 C ATOM 196 O PRO A 14 -13.024 -4.627 -4.432 1.00 0.96 O ATOM 197 CB PRO A 14 -15.955 -5.033 -5.388 1.00 1.38 C ATOM 198 CG PRO A 14 -17.016 -3.958 -5.605 1.00 1.49 C ATOM 199 CD PRO A 14 -17.540 -3.708 -4.195 1.00 1.35 C ATOM 0 HA PRO A 14 -15.123 -5.609 -3.426 1.00 1.05 H new ATOM 0 HB2 PRO A 14 -15.187 -4.995 -6.160 1.00 1.38 H new ATOM 0 HB3 PRO A 14 -16.389 -6.032 -5.420 1.00 1.38 H new ATOM 0 HG2 PRO A 14 -16.592 -3.055 -6.045 1.00 1.49 H new ATOM 0 HG3 PRO A 14 -17.805 -4.299 -6.275 1.00 1.49 H new ATOM 0 HD2 PRO A 14 -17.893 -2.682 -4.086 1.00 1.35 H new ATOM 0 HD3 PRO A 14 -18.384 -4.361 -3.971 1.00 1.35 H new ATOM 207 N ASN A 15 -14.013 -2.664 -3.961 1.00 0.68 N ATOM 208 CA ASN A 15 -12.824 -1.828 -4.014 1.00 0.70 C ATOM 209 C ASN A 15 -12.253 -1.520 -2.617 1.00 0.55 C ATOM 210 O ASN A 15 -12.986 -1.208 -1.673 1.00 0.74 O ATOM 211 CB ASN A 15 -13.189 -0.499 -4.687 1.00 1.14 C ATOM 212 CG ASN A 15 -14.061 -0.641 -5.927 1.00 1.72 C ATOM 213 OD1 ASN A 15 -15.281 -0.635 -5.852 1.00 2.81 O ATOM 214 ND2 ASN A 15 -13.467 -0.775 -7.096 1.00 2.41 N ATOM 0 H ASN A 15 -14.861 -2.131 -3.768 1.00 0.68 H new ATOM 0 HA ASN A 15 -12.064 -2.373 -4.574 1.00 0.70 H new ATOM 0 HB2 ASN A 15 -13.707 0.130 -3.963 1.00 1.14 H new ATOM 0 HB3 ASN A 15 -12.270 0.020 -4.961 1.00 1.14 H new ATOM 0 HD21 ASN A 15 -14.026 -0.874 -7.944 1.00 2.41 H new ATOM 0 HD22 ASN A 15 -12.449 -0.779 -7.153 1.00 2.41 H new ATOM 221 N ALA A 16 -10.925 -1.494 -2.513 1.00 0.49 N ATOM 222 CA ALA A 16 -10.174 -1.339 -1.268 1.00 0.49 C ATOM 223 C ALA A 16 -8.801 -0.680 -1.502 1.00 0.47 C ATOM 224 O ALA A 16 -8.470 -0.282 -2.619 1.00 0.44 O ATOM 225 CB ALA A 16 -10.076 -2.724 -0.619 1.00 0.69 C ATOM 0 H ALA A 16 -10.318 -1.584 -3.328 1.00 0.49 H new ATOM 0 HA ALA A 16 -10.690 -0.659 -0.590 1.00 0.49 H new ATOM 0 HB1 ALA A 16 -9.520 -2.649 0.316 1.00 0.69 H new ATOM 0 HB2 ALA A 16 -11.078 -3.103 -0.416 1.00 0.69 H new ATOM 0 HB3 ALA A 16 -9.560 -3.407 -1.294 1.00 0.69 H new ATOM 231 N ALA A 17 -8.002 -0.556 -0.444 1.00 0.58 N ATOM 232 CA ALA A 17 -6.650 0.007 -0.456 1.00 0.58 C ATOM 233 C ALA A 17 -5.818 -0.615 0.682 1.00 0.63 C ATOM 234 O ALA A 17 -6.393 -0.977 1.702 1.00 0.72 O ATOM 235 CB ALA A 17 -6.730 1.529 -0.283 1.00 0.61 C ATOM 0 H ALA A 17 -8.290 -0.858 0.487 1.00 0.58 H new ATOM 0 HA ALA A 17 -6.168 -0.219 -1.407 1.00 0.58 H new ATOM 0 HB1 ALA A 17 -5.724 1.950 -0.292 1.00 0.61 H new ATOM 0 HB2 ALA A 17 -7.310 1.958 -1.100 1.00 0.61 H new ATOM 0 HB3 ALA A 17 -7.213 1.762 0.666 1.00 0.61 H new ATOM 241 N ALA A 18 -4.492 -0.711 0.566 1.00 0.63 N ATOM 242 CA ALA A 18 -3.603 -1.227 1.615 1.00 0.62 C ATOM 243 C ALA A 18 -2.603 -0.162 2.089 1.00 0.44 C ATOM 244 O ALA A 18 -1.817 0.359 1.295 1.00 0.44 O ATOM 245 CB ALA A 18 -2.886 -2.493 1.121 1.00 0.82 C ATOM 0 H ALA A 18 -3.993 -0.427 -0.277 1.00 0.63 H new ATOM 0 HA ALA A 18 -4.212 -1.490 2.480 1.00 0.62 H new ATOM 0 HB1 ALA A 18 -2.229 -2.869 1.905 1.00 0.82 H new ATOM 0 HB2 ALA A 18 -3.624 -3.255 0.870 1.00 0.82 H new ATOM 0 HB3 ALA A 18 -2.296 -2.255 0.236 1.00 0.82 H new ATOM 251 N TYR A 19 -2.592 0.107 3.394 1.00 0.68 N ATOM 252 CA TYR A 19 -1.640 0.986 4.081 1.00 0.80 C ATOM 253 C TYR A 19 -0.584 0.136 4.809 1.00 0.84 C ATOM 254 O TYR A 19 -0.425 0.196 6.030 1.00 1.37 O ATOM 255 CB TYR A 19 -2.409 1.930 5.029 1.00 0.95 C ATOM 256 CG TYR A 19 -3.578 2.657 4.391 1.00 1.13 C ATOM 257 CD1 TYR A 19 -3.381 3.443 3.240 1.00 1.78 C ATOM 258 CD2 TYR A 19 -4.869 2.536 4.937 1.00 2.55 C ATOM 259 CE1 TYR A 19 -4.477 4.075 2.618 1.00 2.00 C ATOM 260 CE2 TYR A 19 -5.963 3.185 4.338 1.00 2.81 C ATOM 261 CZ TYR A 19 -5.774 3.939 3.158 1.00 1.88 C ATOM 262 OH TYR A 19 -6.834 4.522 2.535 1.00 2.35 O ATOM 0 H TYR A 19 -3.276 -0.299 4.032 1.00 0.68 H new ATOM 0 HA TYR A 19 -1.106 1.611 3.365 1.00 0.80 H new ATOM 0 HB2 TYR A 19 -2.778 1.351 5.876 1.00 0.95 H new ATOM 0 HB3 TYR A 19 -1.713 2.669 5.427 1.00 0.95 H new ATOM 0 HD1 TYR A 19 -2.388 3.562 2.832 1.00 1.78 H new ATOM 0 HD2 TYR A 19 -5.021 1.939 5.824 1.00 2.55 H new ATOM 0 HE1 TYR A 19 -4.324 4.665 1.726 1.00 2.00 H new ATOM 0 HE2 TYR A 19 -6.946 3.107 4.779 1.00 2.81 H new ATOM 0 HH TYR A 19 -7.654 4.330 3.036 1.00 2.35 H new ATOM 272 N LEU A 20 0.109 -0.710 4.037 1.00 1.28 N ATOM 273 CA LEU A 20 1.113 -1.648 4.544 1.00 1.33 C ATOM 274 C LEU A 20 2.441 -0.967 4.924 1.00 1.25 C ATOM 275 O LEU A 20 2.727 0.151 4.474 1.00 1.20 O ATOM 276 CB LEU A 20 1.267 -2.817 3.547 1.00 1.42 C ATOM 277 CG LEU A 20 1.878 -2.481 2.169 1.00 1.39 C ATOM 278 CD1 LEU A 20 3.411 -2.382 2.192 1.00 1.64 C ATOM 279 CD2 LEU A 20 1.478 -3.574 1.171 1.00 1.93 C ATOM 0 H LEU A 20 -0.016 -0.761 3.026 1.00 1.28 H new ATOM 0 HA LEU A 20 0.762 -2.061 5.490 1.00 1.33 H new ATOM 0 HB2 LEU A 20 1.885 -3.583 4.015 1.00 1.42 H new ATOM 0 HB3 LEU A 20 0.283 -3.257 3.384 1.00 1.42 H new ATOM 0 HG LEU A 20 1.493 -1.503 1.880 1.00 1.39 H new ATOM 0 HD11 LEU A 20 3.775 -2.144 1.193 1.00 1.64 H new ATOM 0 HD12 LEU A 20 3.715 -1.598 2.885 1.00 1.64 H new ATOM 0 HD13 LEU A 20 3.832 -3.334 2.514 1.00 1.64 H new ATOM 0 HD21 LEU A 20 1.904 -3.348 0.193 1.00 1.93 H new ATOM 0 HD22 LEU A 20 1.854 -4.537 1.516 1.00 1.93 H new ATOM 0 HD23 LEU A 20 0.392 -3.615 1.093 1.00 1.93 H new ATOM 291 N THR A 21 3.256 -1.684 5.710 1.00 1.36 N ATOM 292 CA THR A 21 4.566 -1.254 6.210 1.00 1.37 C ATOM 293 C THR A 21 5.536 -2.420 6.257 1.00 1.65 C ATOM 294 O THR A 21 5.192 -3.501 6.732 1.00 2.12 O ATOM 295 CB THR A 21 4.440 -0.668 7.618 1.00 1.79 C ATOM 296 OG1 THR A 21 3.601 0.458 7.591 1.00 2.50 O ATOM 297 CG2 THR A 21 5.768 -0.257 8.257 1.00 1.96 C ATOM 0 H THR A 21 3.008 -2.621 6.028 1.00 1.36 H new ATOM 0 HA THR A 21 4.943 -0.493 5.526 1.00 1.37 H new ATOM 0 HB THR A 21 4.027 -1.472 8.228 1.00 1.79 H new ATOM 0 HG1 THR A 21 3.079 0.497 8.420 1.00 2.50 H new ATOM 0 HG21 THR A 21 5.583 0.147 9.252 1.00 1.96 H new ATOM 0 HG22 THR A 21 6.419 -1.127 8.334 1.00 1.96 H new ATOM 0 HG23 THR A 21 6.249 0.503 7.640 1.00 1.96 H new ATOM 305 N LEU A 22 6.765 -2.144 5.823 1.00 1.79 N ATOM 306 CA LEU A 22 7.960 -2.991 5.938 1.00 2.42 C ATOM 307 C LEU A 22 9.142 -2.128 6.396 1.00 1.95 C ATOM 308 O LEU A 22 9.169 -0.939 6.077 1.00 1.66 O ATOM 309 CB LEU A 22 8.299 -3.573 4.544 1.00 3.16 C ATOM 310 CG LEU A 22 8.071 -5.077 4.339 1.00 4.35 C ATOM 311 CD1 LEU A 22 8.879 -5.921 5.337 1.00 4.94 C ATOM 312 CD2 LEU A 22 6.579 -5.415 4.369 1.00 4.82 C ATOM 0 H LEU A 22 6.970 -1.264 5.349 1.00 1.79 H new ATOM 0 HA LEU A 22 7.775 -3.793 6.652 1.00 2.42 H new ATOM 0 HB2 LEU A 22 7.708 -3.037 3.801 1.00 3.16 H new ATOM 0 HB3 LEU A 22 9.347 -3.358 4.334 1.00 3.16 H new ATOM 0 HG LEU A 22 8.442 -5.336 3.348 1.00 4.35 H new ATOM 0 HD11 LEU A 22 8.688 -6.979 5.157 1.00 4.94 H new ATOM 0 HD12 LEU A 22 9.942 -5.717 5.209 1.00 4.94 H new ATOM 0 HD13 LEU A 22 8.581 -5.667 6.354 1.00 4.94 H new ATOM 0 HD21 LEU A 22 6.446 -6.487 4.221 1.00 4.82 H new ATOM 0 HD22 LEU A 22 6.160 -5.127 5.333 1.00 4.82 H new ATOM 0 HD23 LEU A 22 6.067 -4.873 3.574 1.00 4.82 H new ATOM 324 N GLU A 23 10.179 -2.687 7.011 1.00 2.14 N ATOM 325 CA GLU A 23 11.510 -2.066 6.982 1.00 1.72 C ATOM 326 C GLU A 23 12.263 -2.469 5.709 1.00 1.62 C ATOM 327 O GLU A 23 11.968 -3.491 5.095 1.00 1.74 O ATOM 328 CB GLU A 23 12.358 -2.408 8.217 1.00 1.87 C ATOM 329 CG GLU A 23 11.615 -2.201 9.541 1.00 2.97 C ATOM 330 CD GLU A 23 11.070 -3.532 10.050 1.00 2.75 C ATOM 331 OE1 GLU A 23 10.518 -4.313 9.237 1.00 3.18 O ATOM 332 OE2 GLU A 23 11.319 -3.819 11.237 1.00 3.39 O ATOM 0 H GLU A 23 10.131 -3.562 7.533 1.00 2.14 H new ATOM 0 HA GLU A 23 11.347 -0.988 6.990 1.00 1.72 H new ATOM 0 HB2 GLU A 23 12.683 -3.446 8.150 1.00 1.87 H new ATOM 0 HB3 GLU A 23 13.257 -1.792 8.213 1.00 1.87 H new ATOM 0 HG2 GLU A 23 12.288 -1.768 10.281 1.00 2.97 H new ATOM 0 HG3 GLU A 23 10.797 -1.494 9.401 1.00 2.97 H new ATOM 339 N ASN A 24 13.293 -1.701 5.347 1.00 1.55 N ATOM 340 CA ASN A 24 14.392 -2.188 4.514 1.00 1.53 C ATOM 341 C ASN A 24 15.577 -2.582 5.423 1.00 1.55 C ATOM 342 O ASN A 24 16.382 -1.717 5.785 1.00 1.57 O ATOM 343 CB ASN A 24 14.815 -1.126 3.481 1.00 1.50 C ATOM 344 CG ASN A 24 15.845 -1.692 2.502 1.00 1.49 C ATOM 345 OD1 ASN A 24 16.213 -2.858 2.560 1.00 1.80 O ATOM 346 ND2 ASN A 24 16.336 -0.890 1.581 1.00 1.53 N ATOM 0 H ASN A 24 13.388 -0.724 5.624 1.00 1.55 H new ATOM 0 HA ASN A 24 14.060 -3.064 3.957 1.00 1.53 H new ATOM 0 HB2 ASN A 24 13.940 -0.778 2.932 1.00 1.50 H new ATOM 0 HB3 ASN A 24 15.234 -0.261 3.995 1.00 1.50 H new ATOM 0 HD21 ASN A 24 17.024 -1.240 0.914 1.00 1.53 H new ATOM 0 HD22 ASN A 24 16.028 0.081 1.534 1.00 1.53 H new ATOM 353 N PRO A 25 15.702 -3.862 5.815 1.00 1.64 N ATOM 354 CA PRO A 25 16.819 -4.342 6.623 1.00 1.68 C ATOM 355 C PRO A 25 18.103 -4.578 5.812 1.00 1.60 C ATOM 356 O PRO A 25 19.137 -4.883 6.405 1.00 1.59 O ATOM 357 CB PRO A 25 16.309 -5.653 7.235 1.00 1.85 C ATOM 358 CG PRO A 25 15.389 -6.194 6.139 1.00 1.86 C ATOM 359 CD PRO A 25 14.726 -4.928 5.619 1.00 1.75 C ATOM 0 HA PRO A 25 17.105 -3.600 7.368 1.00 1.68 H new ATOM 0 HB2 PRO A 25 17.124 -6.342 7.457 1.00 1.85 H new ATOM 0 HB3 PRO A 25 15.772 -5.483 8.168 1.00 1.85 H new ATOM 0 HG2 PRO A 25 15.947 -6.711 5.358 1.00 1.86 H new ATOM 0 HG3 PRO A 25 14.660 -6.903 6.533 1.00 1.86 H new ATOM 0 HD2 PRO A 25 14.462 -5.028 4.566 1.00 1.75 H new ATOM 0 HD3 PRO A 25 13.803 -4.719 6.160 1.00 1.75 H new ATOM 367 N GLY A 26 18.062 -4.459 4.476 1.00 1.59 N ATOM 368 CA GLY A 26 19.199 -4.693 3.605 1.00 1.56 C ATOM 369 C GLY A 26 20.176 -3.528 3.615 1.00 1.56 C ATOM 370 O GLY A 26 19.875 -2.412 4.033 1.00 1.76 O ATOM 0 H GLY A 26 17.216 -4.192 3.972 1.00 1.59 H new ATOM 0 HA2 GLY A 26 19.715 -5.601 3.919 1.00 1.56 H new ATOM 0 HA3 GLY A 26 18.847 -4.862 2.587 1.00 1.56 H new ATOM 374 N ASP A 27 21.363 -3.826 3.103 1.00 1.58 N ATOM 375 CA ASP A 27 22.469 -2.877 2.890 1.00 1.77 C ATOM 376 C ASP A 27 22.361 -2.171 1.522 1.00 1.78 C ATOM 377 O ASP A 27 23.093 -1.233 1.224 1.00 1.98 O ATOM 378 CB ASP A 27 23.799 -3.642 3.049 1.00 2.00 C ATOM 379 CG ASP A 27 24.905 -2.793 3.690 1.00 2.88 C ATOM 380 OD1 ASP A 27 24.614 -2.207 4.761 1.00 3.78 O ATOM 381 OD2 ASP A 27 26.032 -2.783 3.155 1.00 3.74 O ATOM 0 H ASP A 27 21.600 -4.774 2.810 1.00 1.58 H new ATOM 0 HA ASP A 27 22.421 -2.082 3.634 1.00 1.77 H new ATOM 0 HB2 ASP A 27 23.631 -4.530 3.658 1.00 2.00 H new ATOM 0 HB3 ASP A 27 24.133 -3.986 2.070 1.00 2.00 H new ATOM 386 N LEU A 28 21.385 -2.605 0.713 1.00 1.59 N ATOM 387 CA LEU A 28 21.037 -2.104 -0.615 1.00 1.50 C ATOM 388 C LEU A 28 19.620 -1.492 -0.627 1.00 1.42 C ATOM 389 O LEU A 28 18.817 -1.801 0.260 1.00 1.47 O ATOM 390 CB LEU A 28 21.247 -3.259 -1.613 1.00 1.56 C ATOM 391 CG LEU A 28 20.379 -4.526 -1.420 1.00 2.03 C ATOM 392 CD1 LEU A 28 18.969 -4.401 -2.022 1.00 2.56 C ATOM 393 CD2 LEU A 28 21.078 -5.722 -2.082 1.00 2.23 C ATOM 0 H LEU A 28 20.775 -3.373 0.995 1.00 1.59 H new ATOM 0 HA LEU A 28 21.682 -1.278 -0.915 1.00 1.50 H new ATOM 0 HB2 LEU A 28 21.066 -2.875 -2.617 1.00 1.56 H new ATOM 0 HB3 LEU A 28 22.295 -3.557 -1.569 1.00 1.56 H new ATOM 0 HG LEU A 28 20.266 -4.663 -0.345 1.00 2.03 H new ATOM 0 HD11 LEU A 28 18.417 -5.325 -1.850 1.00 2.56 H new ATOM 0 HD12 LEU A 28 18.444 -3.571 -1.549 1.00 2.56 H new ATOM 0 HD13 LEU A 28 19.046 -4.219 -3.094 1.00 2.56 H new ATOM 0 HD21 LEU A 28 20.471 -6.617 -1.949 1.00 2.23 H new ATOM 0 HD22 LEU A 28 21.206 -5.525 -3.146 1.00 2.23 H new ATOM 0 HD23 LEU A 28 22.054 -5.874 -1.621 1.00 2.23 H new ATOM 405 N PRO A 29 19.282 -0.622 -1.598 1.00 1.33 N ATOM 406 CA PRO A 29 17.988 0.046 -1.637 1.00 1.26 C ATOM 407 C PRO A 29 16.897 -0.896 -2.165 1.00 1.23 C ATOM 408 O PRO A 29 17.135 -1.713 -3.057 1.00 1.25 O ATOM 409 CB PRO A 29 18.184 1.267 -2.539 1.00 1.20 C ATOM 410 CG PRO A 29 19.277 0.815 -3.509 1.00 1.22 C ATOM 411 CD PRO A 29 20.125 -0.164 -2.692 1.00 1.34 C ATOM 0 HA PRO A 29 17.653 0.347 -0.644 1.00 1.26 H new ATOM 0 HB2 PRO A 29 17.266 1.532 -3.063 1.00 1.20 H new ATOM 0 HB3 PRO A 29 18.490 2.144 -1.968 1.00 1.20 H new ATOM 0 HG2 PRO A 29 18.853 0.334 -4.391 1.00 1.22 H new ATOM 0 HG3 PRO A 29 19.871 1.659 -3.861 1.00 1.22 H new ATOM 0 HD2 PRO A 29 20.452 -1.002 -3.307 1.00 1.34 H new ATOM 0 HD3 PRO A 29 21.023 0.323 -2.313 1.00 1.34 H new ATOM 419 N LEU A 30 15.682 -0.749 -1.627 1.00 1.20 N ATOM 420 CA LEU A 30 14.485 -1.412 -2.140 1.00 1.14 C ATOM 421 C LEU A 30 13.658 -0.483 -3.014 1.00 1.01 C ATOM 422 O LEU A 30 13.442 0.688 -2.726 1.00 1.07 O ATOM 423 CB LEU A 30 13.595 -1.965 -1.019 1.00 1.20 C ATOM 424 CG LEU A 30 14.173 -3.221 -0.359 1.00 1.35 C ATOM 425 CD1 LEU A 30 13.396 -3.543 0.927 1.00 2.46 C ATOM 426 CD2 LEU A 30 14.147 -4.459 -1.262 1.00 1.44 C ATOM 0 H LEU A 30 15.503 -0.159 -0.814 1.00 1.20 H new ATOM 0 HA LEU A 30 14.846 -2.247 -2.740 1.00 1.14 H new ATOM 0 HB2 LEU A 30 13.455 -1.195 -0.261 1.00 1.20 H new ATOM 0 HB3 LEU A 30 12.610 -2.195 -1.425 1.00 1.20 H new ATOM 0 HG LEU A 30 15.217 -2.992 -0.147 1.00 1.35 H new ATOM 0 HD11 LEU A 30 13.813 -4.437 1.390 1.00 2.46 H new ATOM 0 HD12 LEU A 30 13.475 -2.705 1.620 1.00 2.46 H new ATOM 0 HD13 LEU A 30 12.347 -3.715 0.685 1.00 2.46 H new ATOM 0 HD21 LEU A 30 14.572 -5.308 -0.727 1.00 1.44 H new ATOM 0 HD22 LEU A 30 13.118 -4.684 -1.541 1.00 1.44 H new ATOM 0 HD23 LEU A 30 14.733 -4.266 -2.161 1.00 1.44 H new ATOM 438 N ARG A 31 13.116 -1.117 -4.042 1.00 0.84 N ATOM 439 CA ARG A 31 12.354 -0.508 -5.142 1.00 0.63 C ATOM 440 C ARG A 31 11.060 -1.285 -5.355 1.00 0.61 C ATOM 441 O ARG A 31 11.070 -2.355 -5.967 1.00 0.62 O ATOM 442 CB ARG A 31 13.222 -0.509 -6.406 1.00 0.61 C ATOM 443 CG ARG A 31 12.597 0.144 -7.648 1.00 0.64 C ATOM 444 CD ARG A 31 12.797 1.660 -7.696 1.00 1.27 C ATOM 445 NE ARG A 31 14.203 2.076 -7.654 1.00 1.60 N ATOM 446 CZ ARG A 31 15.037 2.322 -8.651 1.00 1.18 C ATOM 447 NH1 ARG A 31 14.722 2.060 -9.904 1.00 1.68 N ATOM 448 NH2 ARG A 31 16.208 2.841 -8.366 1.00 1.97 N ATOM 0 H ARG A 31 13.196 -2.129 -4.145 1.00 0.84 H new ATOM 0 HA ARG A 31 12.092 0.522 -4.901 1.00 0.63 H new ATOM 0 HB2 ARG A 31 14.158 0.003 -6.182 1.00 0.61 H new ATOM 0 HB3 ARG A 31 13.474 -1.541 -6.650 1.00 0.61 H new ATOM 0 HG2 ARG A 31 13.031 -0.302 -8.543 1.00 0.64 H new ATOM 0 HG3 ARG A 31 11.530 -0.076 -7.668 1.00 0.64 H new ATOM 0 HD2 ARG A 31 12.341 2.048 -8.607 1.00 1.27 H new ATOM 0 HD3 ARG A 31 12.269 2.113 -6.857 1.00 1.27 H new ATOM 0 HE ARG A 31 14.595 2.193 -6.720 1.00 1.60 H new ATOM 0 HH11 ARG A 31 13.813 1.656 -10.127 1.00 1.68 H new ATOM 0 HH12 ARG A 31 15.388 2.262 -10.650 1.00 1.68 H new ATOM 0 HH21 ARG A 31 16.454 3.044 -7.397 1.00 1.97 H new ATOM 0 HH22 ARG A 31 16.872 3.042 -9.113 1.00 1.97 H new ATOM 462 N LEU A 32 9.964 -0.784 -4.802 1.00 0.60 N ATOM 463 CA LEU A 32 8.665 -1.455 -4.727 1.00 0.59 C ATOM 464 C LEU A 32 7.823 -1.084 -5.946 1.00 0.55 C ATOM 465 O LEU A 32 7.373 0.052 -6.045 1.00 0.56 O ATOM 466 CB LEU A 32 8.012 -1.027 -3.403 1.00 0.62 C ATOM 467 CG LEU A 32 6.600 -1.589 -3.157 1.00 0.68 C ATOM 468 CD1 LEU A 32 6.595 -3.120 -3.104 1.00 1.38 C ATOM 469 CD2 LEU A 32 6.071 -1.049 -1.826 1.00 1.90 C ATOM 0 H LEU A 32 9.951 0.142 -4.373 1.00 0.60 H new ATOM 0 HA LEU A 32 8.763 -2.540 -4.740 1.00 0.59 H new ATOM 0 HB2 LEU A 32 8.657 -1.337 -2.581 1.00 0.62 H new ATOM 0 HB3 LEU A 32 7.962 0.062 -3.376 1.00 0.62 H new ATOM 0 HG LEU A 32 5.967 -1.275 -3.987 1.00 0.68 H new ATOM 0 HD11 LEU A 32 5.579 -3.475 -2.929 1.00 1.38 H new ATOM 0 HD12 LEU A 32 6.960 -3.518 -4.051 1.00 1.38 H new ATOM 0 HD13 LEU A 32 7.242 -3.458 -2.295 1.00 1.38 H new ATOM 0 HD21 LEU A 32 5.071 -1.443 -1.645 1.00 1.90 H new ATOM 0 HD22 LEU A 32 6.734 -1.358 -1.018 1.00 1.90 H new ATOM 0 HD23 LEU A 32 6.030 0.040 -1.865 1.00 1.90 H new ATOM 481 N VAL A 33 7.610 -2.030 -6.862 1.00 0.52 N ATOM 482 CA VAL A 33 6.937 -1.787 -8.153 1.00 0.50 C ATOM 483 C VAL A 33 5.483 -2.308 -8.157 1.00 0.52 C ATOM 484 O VAL A 33 4.675 -1.882 -8.976 1.00 0.57 O ATOM 485 CB VAL A 33 7.724 -2.423 -9.330 1.00 0.51 C ATOM 486 CG1 VAL A 33 9.188 -1.937 -9.374 1.00 0.49 C ATOM 487 CG2 VAL A 33 7.769 -3.964 -9.316 1.00 0.57 C ATOM 0 H VAL A 33 7.901 -2.999 -6.733 1.00 0.52 H new ATOM 0 HA VAL A 33 6.911 -0.706 -8.288 1.00 0.50 H new ATOM 0 HB VAL A 33 7.165 -2.097 -10.207 1.00 0.51 H new ATOM 0 HG11 VAL A 33 9.702 -2.407 -10.213 1.00 0.49 H new ATOM 0 HG12 VAL A 33 9.208 -0.854 -9.496 1.00 0.49 H new ATOM 0 HG13 VAL A 33 9.689 -2.207 -8.444 1.00 0.49 H new ATOM 0 HG21 VAL A 33 8.339 -4.319 -10.174 1.00 0.57 H new ATOM 0 HG22 VAL A 33 8.246 -4.306 -8.397 1.00 0.57 H new ATOM 0 HG23 VAL A 33 6.754 -4.358 -9.366 1.00 0.57 H new ATOM 497 N GLY A 34 5.167 -3.262 -7.265 1.00 0.51 N ATOM 498 CA GLY A 34 3.890 -3.982 -7.205 1.00 0.50 C ATOM 499 C GLY A 34 3.579 -4.599 -5.840 1.00 0.50 C ATOM 500 O GLY A 34 4.358 -4.495 -4.891 1.00 0.52 O ATOM 0 H GLY A 34 5.820 -3.562 -6.541 1.00 0.51 H new ATOM 0 HA2 GLY A 34 3.086 -3.296 -7.472 1.00 0.50 H new ATOM 0 HA3 GLY A 34 3.896 -4.773 -7.955 1.00 0.50 H new ATOM 504 N ALA A 35 2.452 -5.309 -5.782 1.00 0.50 N ATOM 505 CA ALA A 35 2.016 -6.135 -4.652 1.00 0.50 C ATOM 506 C ALA A 35 1.171 -7.346 -5.104 1.00 0.50 C ATOM 507 O ALA A 35 0.888 -7.518 -6.290 1.00 0.52 O ATOM 508 CB ALA A 35 1.266 -5.253 -3.644 1.00 0.50 C ATOM 0 H ALA A 35 1.787 -5.326 -6.555 1.00 0.50 H new ATOM 0 HA ALA A 35 2.896 -6.557 -4.167 1.00 0.50 H new ATOM 0 HB1 ALA A 35 0.939 -5.861 -2.801 1.00 0.50 H new ATOM 0 HB2 ALA A 35 1.928 -4.464 -3.287 1.00 0.50 H new ATOM 0 HB3 ALA A 35 0.397 -4.806 -4.127 1.00 0.50 H new ATOM 514 N ARG A 36 0.755 -8.178 -4.145 1.00 0.50 N ATOM 515 CA ARG A 36 -0.148 -9.326 -4.287 1.00 0.51 C ATOM 516 C ARG A 36 -0.758 -9.655 -2.924 1.00 0.54 C ATOM 517 O ARG A 36 -0.207 -9.283 -1.893 1.00 0.68 O ATOM 518 CB ARG A 36 0.611 -10.548 -4.838 1.00 0.63 C ATOM 519 CG ARG A 36 0.022 -11.123 -6.126 1.00 0.99 C ATOM 520 CD ARG A 36 -1.208 -12.045 -5.944 1.00 2.07 C ATOM 521 NE ARG A 36 -2.528 -11.404 -6.172 1.00 3.53 N ATOM 522 CZ ARG A 36 -3.021 -11.045 -7.356 1.00 4.72 C ATOM 523 NH1 ARG A 36 -2.298 -11.041 -8.457 1.00 5.19 N ATOM 524 NH2 ARG A 36 -4.278 -10.686 -7.459 1.00 6.22 N ATOM 0 H ARG A 36 1.062 -8.059 -3.180 1.00 0.50 H new ATOM 0 HA ARG A 36 -0.940 -9.073 -4.992 1.00 0.51 H new ATOM 0 HB2 ARG A 36 1.648 -10.266 -5.020 1.00 0.63 H new ATOM 0 HB3 ARG A 36 0.622 -11.328 -4.077 1.00 0.63 H new ATOM 0 HG2 ARG A 36 -0.260 -10.295 -6.777 1.00 0.99 H new ATOM 0 HG3 ARG A 36 0.801 -11.684 -6.642 1.00 0.99 H new ATOM 0 HD2 ARG A 36 -1.111 -12.889 -6.626 1.00 2.07 H new ATOM 0 HD3 ARG A 36 -1.190 -12.449 -4.932 1.00 2.07 H new ATOM 0 HE ARG A 36 -3.107 -11.223 -5.352 1.00 3.53 H new ATOM 0 HH11 ARG A 36 -1.318 -11.321 -8.424 1.00 5.19 H new ATOM 0 HH12 ARG A 36 -2.718 -10.758 -9.342 1.00 5.19 H new ATOM 0 HH21 ARG A 36 -4.877 -10.682 -6.633 1.00 6.22 H new ATOM 0 HH22 ARG A 36 -4.657 -10.411 -8.365 1.00 6.22 H new ATOM 538 N THR A 37 -1.863 -10.389 -2.927 1.00 0.50 N ATOM 539 CA THR A 37 -2.673 -10.814 -1.775 1.00 0.51 C ATOM 540 C THR A 37 -3.782 -11.718 -2.312 1.00 0.45 C ATOM 541 O THR A 37 -4.127 -11.563 -3.493 1.00 0.49 O ATOM 542 CB THR A 37 -3.216 -9.610 -0.993 1.00 0.63 C ATOM 543 OG1 THR A 37 -4.114 -10.029 -0.006 1.00 0.71 O ATOM 544 CG2 THR A 37 -3.956 -8.568 -1.831 1.00 0.69 C ATOM 0 H THR A 37 -2.254 -10.735 -3.803 1.00 0.50 H new ATOM 0 HA THR A 37 -2.066 -11.367 -1.058 1.00 0.51 H new ATOM 0 HB THR A 37 -2.320 -9.143 -0.584 1.00 0.63 H new ATOM 0 HG1 THR A 37 -3.637 -10.146 0.842 1.00 0.71 H new ATOM 0 HG21 THR A 37 -4.299 -7.759 -1.186 1.00 0.69 H new ATOM 0 HG22 THR A 37 -3.284 -8.167 -2.589 1.00 0.69 H new ATOM 0 HG23 THR A 37 -4.814 -9.034 -2.316 1.00 0.69 H new ATOM 552 N PRO A 38 -4.337 -12.647 -1.512 1.00 0.53 N ATOM 553 CA PRO A 38 -5.481 -13.438 -1.934 1.00 0.61 C ATOM 554 C PRO A 38 -6.780 -12.634 -1.933 1.00 0.59 C ATOM 555 O PRO A 38 -7.710 -13.007 -2.634 1.00 0.94 O ATOM 556 CB PRO A 38 -5.529 -14.624 -0.976 1.00 0.79 C ATOM 557 CG PRO A 38 -4.868 -14.111 0.298 1.00 0.81 C ATOM 558 CD PRO A 38 -3.858 -13.082 -0.208 1.00 0.71 C ATOM 0 HA PRO A 38 -5.375 -13.767 -2.968 1.00 0.61 H new ATOM 0 HB2 PRO A 38 -6.555 -14.943 -0.790 1.00 0.79 H new ATOM 0 HB3 PRO A 38 -4.996 -15.484 -1.382 1.00 0.79 H new ATOM 0 HG2 PRO A 38 -5.595 -13.660 0.973 1.00 0.81 H new ATOM 0 HG3 PRO A 38 -4.379 -14.915 0.848 1.00 0.81 H new ATOM 0 HD2 PRO A 38 -3.783 -12.240 0.480 1.00 0.71 H new ATOM 0 HD3 PRO A 38 -2.863 -13.519 -0.285 1.00 0.71 H new ATOM 566 N VAL A 39 -6.845 -11.515 -1.203 1.00 0.53 N ATOM 567 CA VAL A 39 -8.070 -10.693 -1.084 1.00 0.62 C ATOM 568 C VAL A 39 -8.062 -9.470 -2.014 1.00 0.62 C ATOM 569 O VAL A 39 -8.599 -8.413 -1.697 1.00 0.69 O ATOM 570 CB VAL A 39 -8.352 -10.304 0.380 1.00 0.72 C ATOM 571 CG1 VAL A 39 -8.553 -11.560 1.241 1.00 0.84 C ATOM 572 CG2 VAL A 39 -7.207 -9.480 0.966 1.00 0.72 C ATOM 0 H VAL A 39 -6.053 -11.148 -0.675 1.00 0.53 H new ATOM 0 HA VAL A 39 -8.896 -11.320 -1.420 1.00 0.62 H new ATOM 0 HB VAL A 39 -9.261 -9.702 0.387 1.00 0.72 H new ATOM 0 HG11 VAL A 39 -8.751 -11.267 2.272 1.00 0.84 H new ATOM 0 HG12 VAL A 39 -9.398 -12.132 0.858 1.00 0.84 H new ATOM 0 HG13 VAL A 39 -7.653 -12.174 1.205 1.00 0.84 H new ATOM 0 HG21 VAL A 39 -7.437 -9.222 2.000 1.00 0.72 H new ATOM 0 HG22 VAL A 39 -6.286 -10.062 0.934 1.00 0.72 H new ATOM 0 HG23 VAL A 39 -7.080 -8.567 0.383 1.00 0.72 H new ATOM 582 N ALA A 40 -7.479 -9.640 -3.200 1.00 0.63 N ATOM 583 CA ALA A 40 -7.607 -8.730 -4.333 1.00 0.63 C ATOM 584 C ALA A 40 -7.282 -9.485 -5.626 1.00 0.73 C ATOM 585 O ALA A 40 -6.382 -10.325 -5.668 1.00 1.03 O ATOM 586 CB ALA A 40 -6.669 -7.530 -4.160 1.00 0.69 C ATOM 0 H ALA A 40 -6.884 -10.443 -3.403 1.00 0.63 H new ATOM 0 HA ALA A 40 -8.629 -8.356 -4.384 1.00 0.63 H new ATOM 0 HB1 ALA A 40 -6.775 -6.859 -5.013 1.00 0.69 H new ATOM 0 HB2 ALA A 40 -6.926 -6.997 -3.245 1.00 0.69 H new ATOM 0 HB3 ALA A 40 -5.638 -7.880 -4.099 1.00 0.69 H new ATOM 592 N GLU A 41 -8.004 -9.164 -6.690 1.00 0.67 N ATOM 593 CA GLU A 41 -7.917 -9.802 -8.002 1.00 0.84 C ATOM 594 C GLU A 41 -6.910 -9.067 -8.893 1.00 0.78 C ATOM 595 O GLU A 41 -5.982 -9.673 -9.437 1.00 1.09 O ATOM 596 CB GLU A 41 -9.329 -9.728 -8.581 1.00 1.09 C ATOM 597 CG GLU A 41 -9.534 -10.439 -9.910 1.00 1.31 C ATOM 598 CD GLU A 41 -10.965 -10.137 -10.321 1.00 2.55 C ATOM 599 OE1 GLU A 41 -11.863 -10.751 -9.701 1.00 3.28 O ATOM 600 OE2 GLU A 41 -11.144 -9.183 -11.109 1.00 3.81 O ATOM 0 H GLU A 41 -8.699 -8.418 -6.664 1.00 0.67 H new ATOM 0 HA GLU A 41 -7.568 -10.833 -7.935 1.00 0.84 H new ATOM 0 HB2 GLU A 41 -10.023 -10.149 -7.854 1.00 1.09 H new ATOM 0 HB3 GLU A 41 -9.596 -8.679 -8.706 1.00 1.09 H new ATOM 0 HG2 GLU A 41 -8.828 -10.081 -10.659 1.00 1.31 H new ATOM 0 HG3 GLU A 41 -9.374 -11.512 -9.809 1.00 1.31 H new ATOM 607 N ARG A 42 -7.052 -7.739 -8.960 1.00 0.64 N ATOM 608 CA ARG A 42 -6.099 -6.795 -9.522 1.00 0.75 C ATOM 609 C ARG A 42 -5.672 -5.840 -8.399 1.00 0.64 C ATOM 610 O ARG A 42 -6.350 -5.703 -7.378 1.00 0.77 O ATOM 611 CB ARG A 42 -6.711 -6.034 -10.717 1.00 1.11 C ATOM 612 CG ARG A 42 -7.314 -6.936 -11.816 1.00 1.76 C ATOM 613 CD ARG A 42 -8.842 -7.104 -11.722 1.00 3.06 C ATOM 614 NE ARG A 42 -9.545 -5.867 -12.121 1.00 3.36 N ATOM 615 CZ ARG A 42 -10.860 -5.682 -12.141 1.00 5.04 C ATOM 616 NH1 ARG A 42 -11.723 -6.608 -11.783 1.00 6.48 N ATOM 617 NH2 ARG A 42 -11.342 -4.522 -12.540 1.00 5.90 N ATOM 0 H ARG A 42 -7.886 -7.274 -8.601 1.00 0.64 H new ATOM 0 HA ARG A 42 -5.227 -7.321 -9.910 1.00 0.75 H new ATOM 0 HB2 ARG A 42 -7.489 -5.367 -10.346 1.00 1.11 H new ATOM 0 HB3 ARG A 42 -5.940 -5.406 -11.164 1.00 1.11 H new ATOM 0 HG2 ARG A 42 -7.064 -6.519 -12.791 1.00 1.76 H new ATOM 0 HG3 ARG A 42 -6.847 -7.919 -11.761 1.00 1.76 H new ATOM 0 HD2 ARG A 42 -9.159 -7.927 -12.362 1.00 3.06 H new ATOM 0 HD3 ARG A 42 -9.119 -7.369 -10.701 1.00 3.06 H new ATOM 0 HE ARG A 42 -8.964 -5.079 -12.409 1.00 3.36 H new ATOM 0 HH11 ARG A 42 -11.392 -7.521 -11.471 1.00 6.48 H new ATOM 0 HH12 ARG A 42 -12.724 -6.413 -11.817 1.00 6.48 H new ATOM 0 HH21 ARG A 42 -10.707 -3.778 -12.829 1.00 5.90 H new ATOM 0 HH22 ARG A 42 -12.350 -4.368 -12.560 1.00 5.90 H new ATOM 631 N VAL A 43 -4.540 -5.192 -8.597 1.00 0.78 N ATOM 632 CA VAL A 43 -3.910 -4.246 -7.665 1.00 0.78 C ATOM 633 C VAL A 43 -3.288 -3.113 -8.487 1.00 0.96 C ATOM 634 O VAL A 43 -2.802 -3.365 -9.590 1.00 1.35 O ATOM 635 CB VAL A 43 -2.850 -4.950 -6.778 1.00 0.81 C ATOM 636 CG1 VAL A 43 -1.609 -5.434 -7.551 1.00 1.02 C ATOM 637 CG2 VAL A 43 -2.396 -4.083 -5.597 1.00 0.89 C ATOM 0 H VAL A 43 -3.999 -5.310 -9.453 1.00 0.78 H new ATOM 0 HA VAL A 43 -4.660 -3.840 -6.986 1.00 0.78 H new ATOM 0 HB VAL A 43 -3.372 -5.829 -6.399 1.00 0.81 H new ATOM 0 HG11 VAL A 43 -0.915 -5.915 -6.861 1.00 1.02 H new ATOM 0 HG12 VAL A 43 -1.913 -6.148 -8.317 1.00 1.02 H new ATOM 0 HG13 VAL A 43 -1.119 -4.582 -8.023 1.00 1.02 H new ATOM 0 HG21 VAL A 43 -1.654 -4.626 -5.011 1.00 0.89 H new ATOM 0 HG22 VAL A 43 -1.956 -3.159 -5.972 1.00 0.89 H new ATOM 0 HG23 VAL A 43 -3.254 -3.847 -4.968 1.00 0.89 H new ATOM 647 N GLU A 44 -3.306 -1.895 -7.953 1.00 0.75 N ATOM 648 CA GLU A 44 -2.678 -0.696 -8.517 1.00 0.69 C ATOM 649 C GLU A 44 -1.828 -0.029 -7.433 1.00 0.56 C ATOM 650 O GLU A 44 -2.177 -0.087 -6.254 1.00 0.65 O ATOM 651 CB GLU A 44 -3.756 0.299 -8.975 1.00 0.79 C ATOM 652 CG GLU A 44 -4.593 -0.188 -10.167 1.00 1.31 C ATOM 653 CD GLU A 44 -5.916 0.576 -10.289 1.00 2.18 C ATOM 654 OE1 GLU A 44 -5.936 1.771 -9.912 1.00 3.06 O ATOM 655 OE2 GLU A 44 -6.908 -0.054 -10.717 1.00 3.00 O ATOM 0 H GLU A 44 -3.782 -1.704 -7.071 1.00 0.75 H new ATOM 0 HA GLU A 44 -2.062 -0.981 -9.370 1.00 0.69 H new ATOM 0 HB2 GLU A 44 -4.422 0.507 -8.138 1.00 0.79 H new ATOM 0 HB3 GLU A 44 -3.276 1.241 -9.242 1.00 0.79 H new ATOM 0 HG2 GLU A 44 -4.019 -0.069 -11.086 1.00 1.31 H new ATOM 0 HG3 GLU A 44 -4.798 -1.253 -10.055 1.00 1.31 H new ATOM 662 N LEU A 45 -0.730 0.634 -7.800 1.00 0.63 N ATOM 663 CA LEU A 45 0.097 1.398 -6.857 1.00 0.63 C ATOM 664 C LEU A 45 -0.217 2.893 -6.980 1.00 0.51 C ATOM 665 O LEU A 45 -0.071 3.464 -8.060 1.00 0.52 O ATOM 666 CB LEU A 45 1.575 1.062 -7.126 1.00 0.97 C ATOM 667 CG LEU A 45 2.585 1.863 -6.278 1.00 0.48 C ATOM 668 CD1 LEU A 45 2.395 1.741 -4.759 1.00 0.92 C ATOM 669 CD2 LEU A 45 4.002 1.419 -6.659 1.00 0.98 C ATOM 0 H LEU A 45 -0.386 0.658 -8.760 1.00 0.63 H new ATOM 0 HA LEU A 45 -0.124 1.125 -5.825 1.00 0.63 H new ATOM 0 HB2 LEU A 45 1.731 -0.001 -6.943 1.00 0.97 H new ATOM 0 HB3 LEU A 45 1.787 1.238 -8.181 1.00 0.97 H new ATOM 0 HG LEU A 45 2.412 2.915 -6.504 1.00 0.48 H new ATOM 0 HD11 LEU A 45 3.151 2.338 -4.249 1.00 0.92 H new ATOM 0 HD12 LEU A 45 1.403 2.101 -4.486 1.00 0.92 H new ATOM 0 HD13 LEU A 45 2.496 0.697 -4.462 1.00 0.92 H new ATOM 0 HD21 LEU A 45 4.729 1.976 -6.068 1.00 0.98 H new ATOM 0 HD22 LEU A 45 4.115 0.353 -6.462 1.00 0.98 H new ATOM 0 HD23 LEU A 45 4.171 1.612 -7.718 1.00 0.98 H new ATOM 681 N HIS A 46 -0.649 3.526 -5.886 1.00 0.48 N ATOM 682 CA HIS A 46 -1.102 4.922 -5.833 1.00 0.44 C ATOM 683 C HIS A 46 -0.335 5.789 -4.813 1.00 0.44 C ATOM 684 O HIS A 46 0.127 5.332 -3.761 1.00 0.48 O ATOM 685 CB HIS A 46 -2.600 4.973 -5.465 1.00 0.46 C ATOM 686 CG HIS A 46 -3.635 4.488 -6.451 1.00 0.47 C ATOM 687 ND1 HIS A 46 -4.998 4.479 -6.191 1.00 0.48 N ATOM 688 CD2 HIS A 46 -3.452 3.954 -7.692 1.00 0.50 C ATOM 689 CE1 HIS A 46 -5.605 3.943 -7.252 1.00 0.53 C ATOM 690 NE2 HIS A 46 -4.701 3.609 -8.182 1.00 0.55 N ATOM 0 H HIS A 46 -0.695 3.064 -4.978 1.00 0.48 H new ATOM 0 HA HIS A 46 -0.912 5.331 -6.826 1.00 0.44 H new ATOM 0 HB2 HIS A 46 -2.729 4.396 -4.549 1.00 0.46 H new ATOM 0 HB3 HIS A 46 -2.840 6.009 -5.226 1.00 0.46 H new ATOM 0 HD2 HIS A 46 -2.508 3.824 -8.199 1.00 0.50 H new ATOM 0 HE1 HIS A 46 -6.671 3.799 -7.347 1.00 0.53 H new ATOM 0 HE2 HIS A 46 -4.896 3.179 -9.086 1.00 0.55 H new ATOM 698 N GLU A 47 -0.325 7.086 -5.104 1.00 0.42 N ATOM 699 CA GLU A 47 -0.004 8.163 -4.164 1.00 0.43 C ATOM 700 C GLU A 47 -1.272 8.860 -3.624 1.00 0.45 C ATOM 701 O GLU A 47 -2.400 8.535 -4.016 1.00 0.66 O ATOM 702 CB GLU A 47 0.946 9.160 -4.839 1.00 0.53 C ATOM 703 CG GLU A 47 0.275 9.993 -5.931 1.00 0.75 C ATOM 704 CD GLU A 47 1.157 11.141 -6.388 1.00 1.06 C ATOM 705 OE1 GLU A 47 2.224 10.907 -6.990 1.00 2.15 O ATOM 706 OE2 GLU A 47 0.687 12.293 -6.306 1.00 2.07 O ATOM 0 H GLU A 47 -0.549 7.433 -6.037 1.00 0.42 H new ATOM 0 HA GLU A 47 0.494 7.729 -3.297 1.00 0.43 H new ATOM 0 HB2 GLU A 47 1.356 9.829 -4.082 1.00 0.53 H new ATOM 0 HB3 GLU A 47 1.785 8.615 -5.272 1.00 0.53 H new ATOM 0 HG2 GLU A 47 0.040 9.354 -6.782 1.00 0.75 H new ATOM 0 HG3 GLU A 47 -0.670 10.387 -5.558 1.00 0.75 H new ATOM 713 N THR A 48 -1.111 9.860 -2.752 1.00 0.49 N ATOM 714 CA THR A 48 -2.176 10.743 -2.254 1.00 0.45 C ATOM 715 C THR A 48 -1.546 12.119 -2.054 1.00 0.49 C ATOM 716 O THR A 48 -0.486 12.209 -1.442 1.00 0.55 O ATOM 717 CB THR A 48 -2.732 10.154 -0.958 1.00 0.49 C ATOM 718 OG1 THR A 48 -3.281 8.911 -1.325 1.00 0.65 O ATOM 719 CG2 THR A 48 -3.832 10.993 -0.313 1.00 0.58 C ATOM 0 H THR A 48 -0.199 10.088 -2.356 1.00 0.49 H new ATOM 0 HA THR A 48 -3.013 10.834 -2.947 1.00 0.45 H new ATOM 0 HB THR A 48 -1.930 10.098 -0.222 1.00 0.49 H new ATOM 0 HG1 THR A 48 -3.658 8.473 -0.533 1.00 0.65 H new ATOM 0 HG21 THR A 48 -4.172 10.506 0.601 1.00 0.58 H new ATOM 0 HG22 THR A 48 -3.442 11.982 -0.074 1.00 0.58 H new ATOM 0 HG23 THR A 48 -4.668 11.090 -1.005 1.00 0.58 H new ATOM 727 N PHE A 49 -2.151 13.171 -2.610 1.00 0.63 N ATOM 728 CA PHE A 49 -1.527 14.488 -2.749 1.00 0.76 C ATOM 729 C PHE A 49 -2.379 15.649 -2.227 1.00 0.66 C ATOM 730 O PHE A 49 -3.581 15.537 -1.989 1.00 0.54 O ATOM 731 CB PHE A 49 -1.106 14.718 -4.215 1.00 0.94 C ATOM 732 CG PHE A 49 -2.218 14.838 -5.251 1.00 0.92 C ATOM 733 CD1 PHE A 49 -2.913 16.054 -5.386 1.00 2.11 C ATOM 734 CD2 PHE A 49 -2.508 13.777 -6.134 1.00 1.99 C ATOM 735 CE1 PHE A 49 -3.881 16.217 -6.389 1.00 2.26 C ATOM 736 CE2 PHE A 49 -3.480 13.942 -7.142 1.00 1.92 C ATOM 737 CZ PHE A 49 -4.157 15.170 -7.280 1.00 1.10 C ATOM 0 H PHE A 49 -3.100 13.131 -2.981 1.00 0.63 H new ATOM 0 HA PHE A 49 -0.645 14.479 -2.109 1.00 0.76 H new ATOM 0 HB2 PHE A 49 -0.508 15.628 -4.255 1.00 0.94 H new ATOM 0 HB3 PHE A 49 -0.455 13.896 -4.512 1.00 0.94 H new ATOM 0 HD1 PHE A 49 -2.699 16.870 -4.711 1.00 2.11 H new ATOM 0 HD2 PHE A 49 -1.985 12.837 -6.038 1.00 1.99 H new ATOM 0 HE1 PHE A 49 -4.415 17.152 -6.475 1.00 2.26 H new ATOM 0 HE2 PHE A 49 -3.706 13.124 -7.810 1.00 1.92 H new ATOM 0 HZ PHE A 49 -4.884 15.304 -8.067 1.00 1.10 H new ATOM 747 N MET A 50 -1.733 16.811 -2.114 1.00 0.79 N ATOM 748 CA MET A 50 -2.347 18.111 -1.819 1.00 0.76 C ATOM 749 C MET A 50 -2.320 19.025 -3.053 1.00 0.72 C ATOM 750 O MET A 50 -1.411 18.934 -3.879 1.00 0.80 O ATOM 751 CB MET A 50 -1.633 18.758 -0.624 1.00 0.92 C ATOM 752 CG MET A 50 -0.138 19.023 -0.852 1.00 2.83 C ATOM 753 SD MET A 50 0.642 19.900 0.524 1.00 3.32 S ATOM 754 CE MET A 50 2.346 19.950 -0.084 1.00 4.99 C ATOM 0 H MET A 50 -0.722 16.877 -2.231 1.00 0.79 H new ATOM 0 HA MET A 50 -3.394 17.959 -1.556 1.00 0.76 H new ATOM 0 HB2 MET A 50 -2.126 19.701 -0.388 1.00 0.92 H new ATOM 0 HB3 MET A 50 -1.747 18.112 0.246 1.00 0.92 H new ATOM 0 HG2 MET A 50 0.374 18.073 -1.007 1.00 2.83 H new ATOM 0 HG3 MET A 50 -0.013 19.606 -1.765 1.00 2.83 H new ATOM 0 HE1 MET A 50 2.977 20.460 0.644 1.00 4.99 H new ATOM 0 HE2 MET A 50 2.710 18.933 -0.230 1.00 4.99 H new ATOM 0 HE3 MET A 50 2.378 20.487 -1.032 1.00 4.99 H new ATOM 764 N ARG A 51 -3.329 19.888 -3.207 1.00 0.74 N ATOM 765 CA ARG A 51 -3.499 20.747 -4.393 1.00 0.73 C ATOM 766 C ARG A 51 -4.361 21.977 -4.092 1.00 0.81 C ATOM 767 O ARG A 51 -5.260 21.914 -3.259 1.00 0.87 O ATOM 768 CB ARG A 51 -4.103 19.914 -5.543 1.00 0.77 C ATOM 769 CG ARG A 51 -3.247 19.938 -6.826 1.00 1.32 C ATOM 770 CD ARG A 51 -3.677 21.074 -7.756 1.00 2.10 C ATOM 771 NE ARG A 51 -2.614 21.439 -8.708 1.00 3.15 N ATOM 772 CZ ARG A 51 -2.466 22.609 -9.327 1.00 4.11 C ATOM 773 NH1 ARG A 51 -3.300 23.616 -9.155 1.00 4.54 N ATOM 774 NH2 ARG A 51 -1.440 22.776 -10.134 1.00 5.16 N ATOM 0 H ARG A 51 -4.060 20.014 -2.507 1.00 0.74 H new ATOM 0 HA ARG A 51 -2.519 21.120 -4.692 1.00 0.73 H new ATOM 0 HB2 ARG A 51 -4.221 18.882 -5.212 1.00 0.77 H new ATOM 0 HB3 ARG A 51 -5.100 20.292 -5.772 1.00 0.77 H new ATOM 0 HG2 ARG A 51 -2.196 20.058 -6.563 1.00 1.32 H new ATOM 0 HG3 ARG A 51 -3.339 18.984 -7.346 1.00 1.32 H new ATOM 0 HD2 ARG A 51 -4.569 20.774 -8.306 1.00 2.10 H new ATOM 0 HD3 ARG A 51 -3.947 21.947 -7.162 1.00 2.10 H new ATOM 0 HE ARG A 51 -1.919 20.721 -8.915 1.00 3.15 H new ATOM 0 HH11 ARG A 51 -4.097 23.516 -8.527 1.00 4.54 H new ATOM 0 HH12 ARG A 51 -3.148 24.495 -9.650 1.00 4.54 H new ATOM 0 HH21 ARG A 51 -0.775 22.016 -10.277 1.00 5.16 H new ATOM 0 HH22 ARG A 51 -1.310 23.665 -10.617 1.00 5.16 H new ATOM 788 N GLU A 52 -4.147 23.073 -4.809 1.00 0.89 N ATOM 789 CA GLU A 52 -5.010 24.227 -4.860 1.00 0.96 C ATOM 790 C GLU A 52 -5.800 24.223 -6.174 1.00 1.01 C ATOM 791 O GLU A 52 -5.239 23.896 -7.218 1.00 1.10 O ATOM 792 CB GLU A 52 -4.080 25.437 -4.839 1.00 1.13 C ATOM 793 CG GLU A 52 -4.813 26.662 -4.330 1.00 1.29 C ATOM 794 CD GLU A 52 -4.997 26.674 -2.812 1.00 1.32 C ATOM 795 OE1 GLU A 52 -4.345 25.887 -2.093 1.00 2.01 O ATOM 796 OE2 GLU A 52 -5.816 27.465 -2.306 1.00 2.26 O ATOM 0 H GLU A 52 -3.321 23.178 -5.398 1.00 0.89 H new ATOM 0 HA GLU A 52 -5.719 24.237 -4.033 1.00 0.96 H new ATOM 0 HB2 GLU A 52 -3.219 25.230 -4.203 1.00 1.13 H new ATOM 0 HB3 GLU A 52 -3.697 25.626 -5.842 1.00 1.13 H new ATOM 0 HG2 GLU A 52 -4.264 27.555 -4.629 1.00 1.29 H new ATOM 0 HG3 GLU A 52 -5.791 26.715 -4.807 1.00 1.29 H new ATOM 803 N VAL A 53 -7.057 24.652 -6.153 1.00 1.09 N ATOM 804 CA VAL A 53 -7.859 24.950 -7.351 1.00 1.22 C ATOM 805 C VAL A 53 -9.000 25.881 -6.946 1.00 1.24 C ATOM 806 O VAL A 53 -9.524 25.749 -5.843 1.00 1.45 O ATOM 807 CB VAL A 53 -8.350 23.664 -8.066 1.00 1.51 C ATOM 808 CG1 VAL A 53 -9.111 22.709 -7.136 1.00 1.95 C ATOM 809 CG2 VAL A 53 -9.187 23.988 -9.315 1.00 3.09 C ATOM 0 H VAL A 53 -7.567 24.809 -5.283 1.00 1.09 H new ATOM 0 HA VAL A 53 -7.238 25.455 -8.091 1.00 1.22 H new ATOM 0 HB VAL A 53 -7.447 23.143 -8.384 1.00 1.51 H new ATOM 0 HG11 VAL A 53 -9.427 21.830 -7.697 1.00 1.95 H new ATOM 0 HG12 VAL A 53 -8.460 22.402 -6.318 1.00 1.95 H new ATOM 0 HG13 VAL A 53 -9.987 23.216 -6.732 1.00 1.95 H new ATOM 0 HG21 VAL A 53 -9.511 23.060 -9.786 1.00 3.09 H new ATOM 0 HG22 VAL A 53 -10.060 24.573 -9.026 1.00 3.09 H new ATOM 0 HG23 VAL A 53 -8.583 24.561 -10.019 1.00 3.09 H new ATOM 819 N GLU A 54 -9.311 26.871 -7.791 1.00 1.47 N ATOM 820 CA GLU A 54 -10.316 27.914 -7.516 1.00 1.65 C ATOM 821 C GLU A 54 -9.931 28.776 -6.287 1.00 1.63 C ATOM 822 O GLU A 54 -10.797 29.258 -5.561 1.00 1.79 O ATOM 823 CB GLU A 54 -11.705 27.262 -7.362 1.00 1.78 C ATOM 824 CG GLU A 54 -12.873 28.201 -7.720 1.00 2.34 C ATOM 825 CD GLU A 54 -14.165 27.757 -7.034 1.00 2.61 C ATOM 826 OE1 GLU A 54 -14.415 26.535 -6.934 1.00 2.79 O ATOM 827 OE2 GLU A 54 -14.854 28.606 -6.422 1.00 3.45 O ATOM 0 H GLU A 54 -8.865 26.975 -8.703 1.00 1.47 H new ATOM 0 HA GLU A 54 -10.351 28.601 -8.361 1.00 1.65 H new ATOM 0 HB2 GLU A 54 -11.754 26.377 -7.997 1.00 1.78 H new ATOM 0 HB3 GLU A 54 -11.825 26.923 -6.333 1.00 1.78 H new ATOM 0 HG2 GLU A 54 -12.630 29.220 -7.420 1.00 2.34 H new ATOM 0 HG3 GLU A 54 -13.017 28.213 -8.800 1.00 2.34 H new ATOM 834 N GLY A 55 -8.630 28.902 -5.985 1.00 1.61 N ATOM 835 CA GLY A 55 -8.143 29.611 -4.789 1.00 1.69 C ATOM 836 C GLY A 55 -8.379 28.845 -3.483 1.00 1.51 C ATOM 837 O GLY A 55 -8.373 29.443 -2.409 1.00 1.66 O ATOM 0 H GLY A 55 -7.884 28.515 -6.563 1.00 1.61 H new ATOM 0 HA2 GLY A 55 -7.076 29.803 -4.900 1.00 1.69 H new ATOM 0 HA3 GLY A 55 -8.636 30.581 -4.726 1.00 1.69 H new ATOM 841 N LYS A 56 -8.627 27.532 -3.571 1.00 1.31 N ATOM 842 CA LYS A 56 -8.987 26.672 -2.452 1.00 1.28 C ATOM 843 C LYS A 56 -8.141 25.391 -2.475 1.00 1.17 C ATOM 844 O LYS A 56 -8.019 24.686 -3.481 1.00 1.07 O ATOM 845 CB LYS A 56 -10.494 26.361 -2.500 1.00 1.33 C ATOM 846 CG LYS A 56 -11.360 27.616 -2.254 1.00 1.66 C ATOM 847 CD LYS A 56 -12.864 27.387 -2.458 1.00 1.87 C ATOM 848 CE LYS A 56 -13.144 26.991 -3.911 1.00 2.20 C ATOM 849 NZ LYS A 56 -14.583 27.025 -4.256 1.00 2.55 N ATOM 0 H LYS A 56 -8.579 27.028 -4.457 1.00 1.31 H new ATOM 0 HA LYS A 56 -8.779 27.186 -1.514 1.00 1.28 H new ATOM 0 HB2 LYS A 56 -10.744 25.935 -3.472 1.00 1.33 H new ATOM 0 HB3 LYS A 56 -10.731 25.606 -1.750 1.00 1.33 H new ATOM 0 HG2 LYS A 56 -11.191 27.967 -1.236 1.00 1.66 H new ATOM 0 HG3 LYS A 56 -11.030 28.410 -2.924 1.00 1.66 H new ATOM 0 HD2 LYS A 56 -13.215 26.604 -1.786 1.00 1.87 H new ATOM 0 HD3 LYS A 56 -13.415 28.293 -2.207 1.00 1.87 H new ATOM 0 HE2 LYS A 56 -12.601 27.663 -4.575 1.00 2.20 H new ATOM 0 HE3 LYS A 56 -12.758 25.987 -4.088 1.00 2.20 H new ATOM 0 HZ1 LYS A 56 -14.793 26.272 -4.942 1.00 2.55 H new ATOM 0 HZ2 LYS A 56 -15.150 26.878 -3.396 1.00 2.55 H new ATOM 0 HZ3 LYS A 56 -14.818 27.948 -4.673 1.00 2.55 H new ATOM 863 N LYS A 57 -7.546 25.099 -1.326 1.00 1.25 N ATOM 864 CA LYS A 57 -6.796 23.897 -1.003 1.00 1.13 C ATOM 865 C LYS A 57 -7.726 22.678 -0.862 1.00 1.04 C ATOM 866 O LYS A 57 -8.720 22.725 -0.145 1.00 1.22 O ATOM 867 CB LYS A 57 -5.922 24.122 0.251 1.00 1.27 C ATOM 868 CG LYS A 57 -6.571 24.775 1.488 1.00 1.63 C ATOM 869 CD LYS A 57 -6.668 26.318 1.532 1.00 2.66 C ATOM 870 CE LYS A 57 -5.325 27.074 1.515 1.00 3.19 C ATOM 871 NZ LYS A 57 -4.817 27.359 0.150 1.00 3.98 N ATOM 0 H LYS A 57 -7.579 25.746 -0.538 1.00 1.25 H new ATOM 0 HA LYS A 57 -6.122 23.677 -1.831 1.00 1.13 H new ATOM 0 HB2 LYS A 57 -5.524 23.154 0.556 1.00 1.27 H new ATOM 0 HB3 LYS A 57 -5.072 24.738 -0.043 1.00 1.27 H new ATOM 0 HG2 LYS A 57 -7.580 24.375 1.585 1.00 1.63 H new ATOM 0 HG3 LYS A 57 -6.014 24.451 2.367 1.00 1.63 H new ATOM 0 HD2 LYS A 57 -7.262 26.651 0.680 1.00 2.66 H new ATOM 0 HD3 LYS A 57 -7.213 26.604 2.432 1.00 2.66 H new ATOM 0 HE2 LYS A 57 -5.441 28.015 2.053 1.00 3.19 H new ATOM 0 HE3 LYS A 57 -4.581 26.487 2.055 1.00 3.19 H new ATOM 0 HZ1 LYS A 57 -4.216 28.208 0.173 1.00 3.98 H new ATOM 0 HZ2 LYS A 57 -4.259 26.549 -0.189 1.00 3.98 H new ATOM 0 HZ3 LYS A 57 -5.619 27.520 -0.492 1.00 3.98 H new ATOM 885 N VAL A 58 -7.366 21.600 -1.545 1.00 0.90 N ATOM 886 CA VAL A 58 -8.029 20.299 -1.635 1.00 0.86 C ATOM 887 C VAL A 58 -6.983 19.168 -1.653 1.00 0.77 C ATOM 888 O VAL A 58 -5.779 19.433 -1.709 1.00 0.87 O ATOM 889 CB VAL A 58 -8.888 20.236 -2.917 1.00 0.91 C ATOM 890 CG1 VAL A 58 -10.104 21.174 -2.848 1.00 2.19 C ATOM 891 CG2 VAL A 58 -8.089 20.508 -4.205 1.00 2.25 C ATOM 0 H VAL A 58 -6.516 21.613 -2.108 1.00 0.90 H new ATOM 0 HA VAL A 58 -8.672 20.171 -0.764 1.00 0.86 H new ATOM 0 HB VAL A 58 -9.241 19.206 -2.965 1.00 0.91 H new ATOM 0 HG11 VAL A 58 -10.677 21.095 -3.772 1.00 2.19 H new ATOM 0 HG12 VAL A 58 -10.734 20.892 -2.005 1.00 2.19 H new ATOM 0 HG13 VAL A 58 -9.764 22.202 -2.719 1.00 2.19 H new ATOM 0 HG21 VAL A 58 -8.755 20.448 -5.066 1.00 2.25 H new ATOM 0 HG22 VAL A 58 -7.648 21.504 -4.156 1.00 2.25 H new ATOM 0 HG23 VAL A 58 -7.298 19.765 -4.306 1.00 2.25 H new ATOM 901 N MET A 59 -7.435 17.912 -1.632 1.00 0.72 N ATOM 902 CA MET A 59 -6.593 16.711 -1.698 1.00 0.64 C ATOM 903 C MET A 59 -6.997 15.814 -2.879 1.00 0.62 C ATOM 904 O MET A 59 -8.076 15.973 -3.445 1.00 0.90 O ATOM 905 CB MET A 59 -6.638 15.939 -0.370 1.00 0.72 C ATOM 906 CG MET A 59 -6.097 16.758 0.813 1.00 0.81 C ATOM 907 SD MET A 59 -7.293 17.879 1.594 1.00 2.67 S ATOM 908 CE MET A 59 -6.298 19.387 1.728 1.00 3.68 C ATOM 0 H MET A 59 -8.429 17.694 -1.566 1.00 0.72 H new ATOM 0 HA MET A 59 -5.564 17.030 -1.865 1.00 0.64 H new ATOM 0 HB2 MET A 59 -7.666 15.643 -0.161 1.00 0.72 H new ATOM 0 HB3 MET A 59 -6.056 15.022 -0.468 1.00 0.72 H new ATOM 0 HG2 MET A 59 -5.723 16.068 1.570 1.00 0.81 H new ATOM 0 HG3 MET A 59 -5.246 17.345 0.468 1.00 0.81 H new ATOM 0 HE1 MET A 59 -6.957 20.253 1.793 1.00 3.68 H new ATOM 0 HE2 MET A 59 -5.677 19.335 2.622 1.00 3.68 H new ATOM 0 HE3 MET A 59 -5.660 19.482 0.849 1.00 3.68 H new ATOM 918 N GLY A 60 -6.108 14.892 -3.260 1.00 0.49 N ATOM 919 CA GLY A 60 -6.247 14.021 -4.429 1.00 0.52 C ATOM 920 C GLY A 60 -5.460 12.717 -4.320 1.00 0.46 C ATOM 921 O GLY A 60 -4.823 12.439 -3.312 1.00 0.51 O ATOM 0 H GLY A 60 -5.243 14.727 -2.745 1.00 0.49 H new ATOM 0 HA2 GLY A 60 -7.302 13.787 -4.574 1.00 0.52 H new ATOM 0 HA3 GLY A 60 -5.916 14.562 -5.315 1.00 0.52 H new ATOM 925 N MET A 61 -5.517 11.900 -5.371 1.00 0.44 N ATOM 926 CA MET A 61 -4.900 10.576 -5.480 1.00 0.43 C ATOM 927 C MET A 61 -4.664 10.276 -6.965 1.00 0.45 C ATOM 928 O MET A 61 -5.436 10.727 -7.810 1.00 0.52 O ATOM 929 CB MET A 61 -5.857 9.570 -4.819 1.00 0.53 C ATOM 930 CG MET A 61 -5.565 8.088 -5.079 1.00 0.49 C ATOM 931 SD MET A 61 -6.906 6.918 -4.673 1.00 0.50 S ATOM 932 CE MET A 61 -7.628 7.688 -3.205 1.00 0.60 C ATOM 0 H MET A 61 -6.023 12.158 -6.218 1.00 0.44 H new ATOM 0 HA MET A 61 -3.935 10.517 -4.976 1.00 0.43 H new ATOM 0 HB2 MET A 61 -5.841 9.739 -3.742 1.00 0.53 H new ATOM 0 HB3 MET A 61 -6.870 9.785 -5.161 1.00 0.53 H new ATOM 0 HG2 MET A 61 -5.314 7.968 -6.133 1.00 0.49 H new ATOM 0 HG3 MET A 61 -4.681 7.808 -4.506 1.00 0.49 H new ATOM 0 HE1 MET A 61 -8.337 7.000 -2.745 1.00 0.60 H new ATOM 0 HE2 MET A 61 -6.838 7.925 -2.493 1.00 0.60 H new ATOM 0 HE3 MET A 61 -8.145 8.604 -3.491 1.00 0.60 H new ATOM 942 N ARG A 62 -3.613 9.519 -7.283 1.00 0.49 N ATOM 943 CA ARG A 62 -3.263 9.098 -8.650 1.00 0.59 C ATOM 944 C ARG A 62 -2.324 7.876 -8.614 1.00 0.51 C ATOM 945 O ARG A 62 -1.679 7.666 -7.582 1.00 0.49 O ATOM 946 CB ARG A 62 -2.677 10.289 -9.450 1.00 0.89 C ATOM 947 CG ARG A 62 -1.357 10.831 -8.889 1.00 1.46 C ATOM 948 CD ARG A 62 -0.834 12.042 -9.671 1.00 1.83 C ATOM 949 NE ARG A 62 0.387 12.537 -9.025 1.00 3.30 N ATOM 950 CZ ARG A 62 1.533 12.918 -9.554 1.00 4.41 C ATOM 951 NH1 ARG A 62 1.639 13.280 -10.814 1.00 4.38 N ATOM 952 NH2 ARG A 62 2.594 12.925 -8.782 1.00 5.76 N ATOM 0 H ARG A 62 -2.961 9.170 -6.581 1.00 0.49 H new ATOM 0 HA ARG A 62 -4.165 8.783 -9.174 1.00 0.59 H new ATOM 0 HB2 ARG A 62 -2.520 9.977 -10.482 1.00 0.89 H new ATOM 0 HB3 ARG A 62 -3.410 11.096 -9.469 1.00 0.89 H new ATOM 0 HG2 ARG A 62 -1.499 11.111 -7.845 1.00 1.46 H new ATOM 0 HG3 ARG A 62 -0.607 10.040 -8.908 1.00 1.46 H new ATOM 0 HD2 ARG A 62 -0.626 11.762 -10.704 1.00 1.83 H new ATOM 0 HD3 ARG A 62 -1.590 12.827 -9.699 1.00 1.83 H new ATOM 0 HE ARG A 62 0.342 12.595 -8.008 1.00 3.30 H new ATOM 0 HH11 ARG A 62 0.817 13.272 -11.418 1.00 4.38 H new ATOM 0 HH12 ARG A 62 2.543 13.569 -11.187 1.00 4.38 H new ATOM 0 HH21 ARG A 62 2.516 12.641 -7.805 1.00 5.76 H new ATOM 0 HH22 ARG A 62 3.497 13.214 -9.159 1.00 5.76 H new ATOM 966 N PRO A 63 -2.260 7.051 -9.677 1.00 0.52 N ATOM 967 CA PRO A 63 -1.344 5.920 -9.729 1.00 0.50 C ATOM 968 C PRO A 63 0.096 6.375 -9.971 1.00 0.51 C ATOM 969 O PRO A 63 0.315 7.446 -10.536 1.00 0.54 O ATOM 970 CB PRO A 63 -1.864 5.016 -10.845 1.00 0.53 C ATOM 971 CG PRO A 63 -2.504 6.012 -11.812 1.00 0.59 C ATOM 972 CD PRO A 63 -3.094 7.068 -10.873 1.00 0.60 C ATOM 0 HA PRO A 63 -1.313 5.384 -8.780 1.00 0.50 H new ATOM 0 HB2 PRO A 63 -1.060 4.452 -11.318 1.00 0.53 H new ATOM 0 HB3 PRO A 63 -2.587 4.290 -10.474 1.00 0.53 H new ATOM 0 HG2 PRO A 63 -1.770 6.442 -12.494 1.00 0.59 H new ATOM 0 HG3 PRO A 63 -3.273 5.542 -12.426 1.00 0.59 H new ATOM 0 HD2 PRO A 63 -3.087 8.053 -11.340 1.00 0.60 H new ATOM 0 HD3 PRO A 63 -4.131 6.838 -10.629 1.00 0.60 H new ATOM 980 N VAL A 64 1.058 5.549 -9.547 1.00 0.51 N ATOM 981 CA VAL A 64 2.511 5.785 -9.669 1.00 0.52 C ATOM 982 C VAL A 64 3.234 4.472 -10.043 1.00 0.48 C ATOM 983 O VAL A 64 2.691 3.398 -9.775 1.00 0.46 O ATOM 984 CB VAL A 64 3.108 6.420 -8.384 1.00 0.55 C ATOM 985 CG1 VAL A 64 2.470 7.780 -8.072 1.00 0.68 C ATOM 986 CG2 VAL A 64 3.010 5.516 -7.148 1.00 0.60 C ATOM 0 H VAL A 64 0.844 4.662 -9.091 1.00 0.51 H new ATOM 0 HA VAL A 64 2.668 6.506 -10.471 1.00 0.52 H new ATOM 0 HB VAL A 64 4.166 6.557 -8.606 1.00 0.55 H new ATOM 0 HG11 VAL A 64 2.915 8.191 -7.166 1.00 0.68 H new ATOM 0 HG12 VAL A 64 2.644 8.463 -8.904 1.00 0.68 H new ATOM 0 HG13 VAL A 64 1.397 7.653 -7.925 1.00 0.68 H new ATOM 0 HG21 VAL A 64 3.447 6.025 -6.289 1.00 0.60 H new ATOM 0 HG22 VAL A 64 1.963 5.292 -6.943 1.00 0.60 H new ATOM 0 HG23 VAL A 64 3.550 4.588 -7.333 1.00 0.60 H new ATOM 996 N PRO A 65 4.420 4.524 -10.691 1.00 0.49 N ATOM 997 CA PRO A 65 5.046 3.354 -11.313 1.00 0.48 C ATOM 998 C PRO A 65 5.832 2.489 -10.325 1.00 0.45 C ATOM 999 O PRO A 65 6.008 1.302 -10.587 1.00 0.46 O ATOM 1000 CB PRO A 65 5.954 3.927 -12.404 1.00 0.55 C ATOM 1001 CG PRO A 65 6.407 5.259 -11.813 1.00 0.57 C ATOM 1002 CD PRO A 65 5.186 5.722 -11.019 1.00 0.54 C ATOM 0 HA PRO A 65 4.289 2.678 -11.711 1.00 0.48 H new ATOM 0 HB2 PRO A 65 6.799 3.270 -12.612 1.00 0.55 H new ATOM 0 HB3 PRO A 65 5.418 4.064 -13.343 1.00 0.55 H new ATOM 0 HG2 PRO A 65 7.281 5.139 -11.173 1.00 0.57 H new ATOM 0 HG3 PRO A 65 6.676 5.974 -12.591 1.00 0.57 H new ATOM 0 HD2 PRO A 65 5.490 6.247 -10.113 1.00 0.54 H new ATOM 0 HD3 PRO A 65 4.585 6.418 -11.604 1.00 0.54 H new ATOM 1010 N PHE A 66 6.295 3.070 -9.214 1.00 0.44 N ATOM 1011 CA PHE A 66 7.047 2.413 -8.137 1.00 0.43 C ATOM 1012 C PHE A 66 7.368 3.399 -7.008 1.00 0.48 C ATOM 1013 O PHE A 66 7.377 4.617 -7.205 1.00 0.53 O ATOM 1014 CB PHE A 66 8.356 1.770 -8.632 1.00 0.43 C ATOM 1015 CG PHE A 66 9.356 2.784 -9.122 1.00 0.44 C ATOM 1016 CD1 PHE A 66 9.299 3.221 -10.454 1.00 1.84 C ATOM 1017 CD2 PHE A 66 10.264 3.361 -8.218 1.00 1.73 C ATOM 1018 CE1 PHE A 66 10.150 4.257 -10.883 1.00 1.86 C ATOM 1019 CE2 PHE A 66 11.083 4.422 -8.631 1.00 1.73 C ATOM 1020 CZ PHE A 66 11.033 4.865 -9.966 1.00 0.53 C ATOM 0 H PHE A 66 6.149 4.063 -9.031 1.00 0.44 H new ATOM 0 HA PHE A 66 6.401 1.619 -7.762 1.00 0.43 H new ATOM 0 HB2 PHE A 66 8.800 1.191 -7.822 1.00 0.43 H new ATOM 0 HB3 PHE A 66 8.130 1.071 -9.437 1.00 0.43 H new ATOM 0 HD1 PHE A 66 8.606 2.765 -11.146 1.00 1.84 H new ATOM 0 HD2 PHE A 66 10.331 2.988 -7.207 1.00 1.73 H new ATOM 0 HE1 PHE A 66 10.127 4.586 -11.912 1.00 1.86 H new ATOM 0 HE2 PHE A 66 11.750 4.898 -7.927 1.00 1.73 H new ATOM 0 HZ PHE A 66 11.673 5.673 -10.289 1.00 0.53 H new ATOM 1030 N LEU A 67 7.725 2.843 -5.851 1.00 0.49 N ATOM 1031 CA LEU A 67 8.340 3.556 -4.732 1.00 0.56 C ATOM 1032 C LEU A 67 9.805 3.142 -4.577 1.00 0.61 C ATOM 1033 O LEU A 67 10.188 2.030 -4.939 1.00 0.61 O ATOM 1034 CB LEU A 67 7.578 3.276 -3.423 1.00 0.62 C ATOM 1035 CG LEU A 67 6.044 3.420 -3.462 1.00 0.60 C ATOM 1036 CD1 LEU A 67 5.522 3.266 -2.030 1.00 0.69 C ATOM 1037 CD2 LEU A 67 5.557 4.757 -4.033 1.00 0.65 C ATOM 0 H LEU A 67 7.589 1.850 -5.660 1.00 0.49 H new ATOM 0 HA LEU A 67 8.292 4.624 -4.943 1.00 0.56 H new ATOM 0 HB2 LEU A 67 7.815 2.261 -3.103 1.00 0.62 H new ATOM 0 HB3 LEU A 67 7.962 3.949 -2.657 1.00 0.62 H new ATOM 0 HG LEU A 67 5.661 2.649 -4.130 1.00 0.60 H new ATOM 0 HD11 LEU A 67 4.436 3.364 -2.026 1.00 0.69 H new ATOM 0 HD12 LEU A 67 5.800 2.285 -1.645 1.00 0.69 H new ATOM 0 HD13 LEU A 67 5.958 4.040 -1.399 1.00 0.69 H new ATOM 0 HD21 LEU A 67 4.467 4.780 -4.026 1.00 0.65 H new ATOM 0 HD22 LEU A 67 5.941 5.575 -3.423 1.00 0.65 H new ATOM 0 HD23 LEU A 67 5.916 4.868 -5.056 1.00 0.65 H new ATOM 1049 N GLU A 68 10.611 4.043 -4.025 1.00 0.71 N ATOM 1050 CA GLU A 68 12.032 3.839 -3.728 1.00 0.81 C ATOM 1051 C GLU A 68 12.267 4.045 -2.234 1.00 0.96 C ATOM 1052 O GLU A 68 11.762 5.011 -1.665 1.00 1.08 O ATOM 1053 CB GLU A 68 12.894 4.850 -4.507 1.00 0.93 C ATOM 1054 CG GLU A 68 14.405 4.735 -4.229 1.00 1.03 C ATOM 1055 CD GLU A 68 15.041 3.609 -5.046 1.00 0.86 C ATOM 1056 OE1 GLU A 68 14.587 2.450 -4.946 1.00 2.09 O ATOM 1057 OE2 GLU A 68 15.923 3.896 -5.882 1.00 1.71 O ATOM 0 H GLU A 68 10.284 4.972 -3.761 1.00 0.71 H new ATOM 0 HA GLU A 68 12.310 2.827 -4.022 1.00 0.81 H new ATOM 0 HB2 GLU A 68 12.720 4.713 -5.574 1.00 0.93 H new ATOM 0 HB3 GLU A 68 12.566 5.859 -4.258 1.00 0.93 H new ATOM 0 HG2 GLU A 68 14.893 5.680 -4.468 1.00 1.03 H new ATOM 0 HG3 GLU A 68 14.568 4.552 -3.167 1.00 1.03 H new ATOM 1064 N VAL A 69 13.071 3.175 -1.619 1.00 1.00 N ATOM 1065 CA VAL A 69 13.478 3.296 -0.214 1.00 1.12 C ATOM 1066 C VAL A 69 14.952 2.913 -0.019 1.00 1.13 C ATOM 1067 O VAL A 69 15.366 1.844 -0.470 1.00 1.13 O ATOM 1068 CB VAL A 69 12.572 2.428 0.693 1.00 1.22 C ATOM 1069 CG1 VAL A 69 12.950 2.495 2.184 1.00 1.27 C ATOM 1070 CG2 VAL A 69 11.090 2.826 0.573 1.00 1.35 C ATOM 0 H VAL A 69 13.463 2.357 -2.086 1.00 1.00 H new ATOM 0 HA VAL A 69 13.364 4.342 0.072 1.00 1.12 H new ATOM 0 HB VAL A 69 12.728 1.411 0.334 1.00 1.22 H new ATOM 0 HG11 VAL A 69 12.274 1.863 2.760 1.00 1.27 H new ATOM 0 HG12 VAL A 69 13.974 2.145 2.316 1.00 1.27 H new ATOM 0 HG13 VAL A 69 12.870 3.524 2.534 1.00 1.27 H new ATOM 0 HG21 VAL A 69 10.489 2.193 1.226 1.00 1.35 H new ATOM 0 HG22 VAL A 69 10.968 3.869 0.867 1.00 1.35 H new ATOM 0 HG23 VAL A 69 10.762 2.699 -0.459 1.00 1.35 H new ATOM 1080 N PRO A 70 15.757 3.741 0.680 1.00 1.18 N ATOM 1081 CA PRO A 70 17.171 3.467 0.928 1.00 1.21 C ATOM 1082 C PRO A 70 17.379 2.302 1.917 1.00 1.26 C ATOM 1083 O PRO A 70 16.451 1.941 2.647 1.00 1.31 O ATOM 1084 CB PRO A 70 17.743 4.780 1.477 1.00 1.26 C ATOM 1085 CG PRO A 70 16.549 5.423 2.174 1.00 1.27 C ATOM 1086 CD PRO A 70 15.389 5.025 1.268 1.00 1.22 C ATOM 0 HA PRO A 70 17.677 3.150 0.016 1.00 1.21 H new ATOM 0 HB2 PRO A 70 18.564 4.601 2.171 1.00 1.26 H new ATOM 0 HB3 PRO A 70 18.131 5.413 0.679 1.00 1.26 H new ATOM 0 HG2 PRO A 70 16.420 5.047 3.189 1.00 1.27 H new ATOM 0 HG3 PRO A 70 16.655 6.505 2.247 1.00 1.27 H new ATOM 0 HD2 PRO A 70 14.462 4.942 1.835 1.00 1.22 H new ATOM 0 HD3 PRO A 70 15.224 5.775 0.494 1.00 1.22 H new ATOM 1094 N PRO A 71 18.597 1.728 1.982 1.00 1.29 N ATOM 1095 CA PRO A 71 18.967 0.739 2.990 1.00 1.41 C ATOM 1096 C PRO A 71 18.841 1.317 4.395 1.00 1.54 C ATOM 1097 O PRO A 71 19.141 2.489 4.615 1.00 1.55 O ATOM 1098 CB PRO A 71 20.398 0.325 2.664 1.00 1.45 C ATOM 1099 CG PRO A 71 20.965 1.482 1.851 1.00 1.41 C ATOM 1100 CD PRO A 71 19.744 2.044 1.138 1.00 1.30 C ATOM 0 HA PRO A 71 18.304 -0.126 2.971 1.00 1.41 H new ATOM 0 HB2 PRO A 71 20.978 0.159 3.572 1.00 1.45 H new ATOM 0 HB3 PRO A 71 20.421 -0.605 2.096 1.00 1.45 H new ATOM 0 HG2 PRO A 71 21.436 2.229 2.490 1.00 1.41 H new ATOM 0 HG3 PRO A 71 21.722 1.143 1.144 1.00 1.41 H new ATOM 0 HD2 PRO A 71 19.838 3.121 0.996 1.00 1.30 H new ATOM 0 HD3 PRO A 71 19.633 1.601 0.149 1.00 1.30 H new ATOM 1108 N LYS A 72 18.345 0.505 5.343 1.00 1.71 N ATOM 1109 CA LYS A 72 18.066 0.899 6.739 1.00 1.96 C ATOM 1110 C LYS A 72 16.932 1.945 6.867 1.00 2.00 C ATOM 1111 O LYS A 72 16.563 2.344 7.970 1.00 2.28 O ATOM 1112 CB LYS A 72 19.357 1.335 7.464 1.00 2.14 C ATOM 1113 CG LYS A 72 20.629 0.547 7.100 1.00 2.23 C ATOM 1114 CD LYS A 72 20.558 -0.970 7.357 1.00 2.17 C ATOM 1115 CE LYS A 72 21.565 -1.732 6.482 1.00 2.05 C ATOM 1116 NZ LYS A 72 22.971 -1.324 6.703 1.00 3.28 N ATOM 0 H LYS A 72 18.120 -0.472 5.157 1.00 1.71 H new ATOM 0 HA LYS A 72 17.689 0.010 7.244 1.00 1.96 H new ATOM 0 HB2 LYS A 72 19.532 2.390 7.251 1.00 2.14 H new ATOM 0 HB3 LYS A 72 19.194 1.249 8.538 1.00 2.14 H new ATOM 0 HG2 LYS A 72 20.849 0.710 6.045 1.00 2.23 H new ATOM 0 HG3 LYS A 72 21.465 0.956 7.667 1.00 2.23 H new ATOM 0 HD2 LYS A 72 20.760 -1.173 8.409 1.00 2.17 H new ATOM 0 HD3 LYS A 72 19.550 -1.329 7.151 1.00 2.17 H new ATOM 0 HE2 LYS A 72 21.470 -2.800 6.680 1.00 2.05 H new ATOM 0 HE3 LYS A 72 21.311 -1.578 5.433 1.00 2.05 H new ATOM 0 HZ1 LYS A 72 23.605 -1.976 6.199 1.00 3.28 H new ATOM 0 HZ2 LYS A 72 23.112 -0.358 6.345 1.00 3.28 H new ATOM 0 HZ3 LYS A 72 23.185 -1.351 7.720 1.00 3.28 H new ATOM 1130 N GLY A 73 16.347 2.343 5.732 1.00 1.77 N ATOM 1131 CA GLY A 73 15.066 3.040 5.618 1.00 1.76 C ATOM 1132 C GLY A 73 13.915 2.049 5.806 1.00 1.43 C ATOM 1133 O GLY A 73 14.138 0.888 6.149 1.00 1.35 O ATOM 0 H GLY A 73 16.778 2.178 4.823 1.00 1.77 H new ATOM 0 HA2 GLY A 73 15.004 3.829 6.367 1.00 1.76 H new ATOM 0 HA3 GLY A 73 14.989 3.520 4.642 1.00 1.76 H new ATOM 1137 N ARG A 74 12.670 2.504 5.634 1.00 1.75 N ATOM 1138 CA ARG A 74 11.479 1.655 5.786 1.00 1.47 C ATOM 1139 C ARG A 74 10.415 1.925 4.717 1.00 2.07 C ATOM 1140 O ARG A 74 10.139 3.071 4.371 1.00 2.80 O ATOM 1141 CB ARG A 74 10.920 1.739 7.219 1.00 1.69 C ATOM 1142 CG ARG A 74 10.653 3.167 7.707 1.00 2.72 C ATOM 1143 CD ARG A 74 9.940 3.198 9.041 1.00 2.51 C ATOM 1144 NE ARG A 74 9.352 4.519 9.289 1.00 4.36 N ATOM 1145 CZ ARG A 74 9.924 5.621 9.740 1.00 5.64 C ATOM 1146 NH1 ARG A 74 11.136 5.634 10.256 1.00 5.94 N ATOM 1147 NH2 ARG A 74 9.241 6.735 9.632 1.00 7.47 N ATOM 0 H ARG A 74 12.457 3.470 5.386 1.00 1.75 H new ATOM 0 HA ARG A 74 11.794 0.625 5.621 1.00 1.47 H new ATOM 0 HB2 ARG A 74 9.991 1.171 7.268 1.00 1.69 H new ATOM 0 HB3 ARG A 74 11.623 1.260 7.900 1.00 1.69 H new ATOM 0 HG2 ARG A 74 11.599 3.702 7.791 1.00 2.72 H new ATOM 0 HG3 ARG A 74 10.053 3.695 6.966 1.00 2.72 H new ATOM 0 HD2 ARG A 74 9.158 2.438 9.058 1.00 2.51 H new ATOM 0 HD3 ARG A 74 10.641 2.952 9.839 1.00 2.51 H new ATOM 0 HE ARG A 74 8.356 4.598 9.083 1.00 4.36 H new ATOM 0 HH11 ARG A 74 11.673 4.769 10.320 1.00 5.94 H new ATOM 0 HH12 ARG A 74 11.538 6.509 10.592 1.00 5.94 H new ATOM 0 HH21 ARG A 74 8.311 6.724 9.214 1.00 7.47 H new ATOM 0 HH22 ARG A 74 9.640 7.612 9.966 1.00 7.47 H new ATOM 1161 N VAL A 75 9.825 0.843 4.215 1.00 2.15 N ATOM 1162 CA VAL A 75 8.830 0.769 3.139 1.00 3.12 C ATOM 1163 C VAL A 75 7.427 0.796 3.771 1.00 2.40 C ATOM 1164 O VAL A 75 6.610 -0.111 3.608 1.00 2.54 O ATOM 1165 CB VAL A 75 9.060 -0.477 2.232 1.00 4.33 C ATOM 1166 CG1 VAL A 75 8.342 -0.308 0.885 1.00 5.21 C ATOM 1167 CG2 VAL A 75 10.542 -0.796 1.952 1.00 5.14 C ATOM 0 H VAL A 75 10.047 -0.084 4.578 1.00 2.15 H new ATOM 0 HA VAL A 75 8.931 1.630 2.478 1.00 3.12 H new ATOM 0 HB VAL A 75 8.648 -1.312 2.799 1.00 4.33 H new ATOM 0 HG11 VAL A 75 8.516 -1.189 0.267 1.00 5.21 H new ATOM 0 HG12 VAL A 75 7.272 -0.189 1.055 1.00 5.21 H new ATOM 0 HG13 VAL A 75 8.728 0.575 0.375 1.00 5.21 H new ATOM 0 HG21 VAL A 75 10.610 -1.677 1.314 1.00 5.14 H new ATOM 0 HG22 VAL A 75 11.008 0.052 1.451 1.00 5.14 H new ATOM 0 HG23 VAL A 75 11.057 -0.989 2.893 1.00 5.14 H new ATOM 1177 N GLU A 76 7.170 1.860 4.538 1.00 1.90 N ATOM 1178 CA GLU A 76 5.826 2.274 4.945 1.00 1.15 C ATOM 1179 C GLU A 76 5.187 3.064 3.806 1.00 1.01 C ATOM 1180 O GLU A 76 5.728 4.072 3.348 1.00 1.33 O ATOM 1181 CB GLU A 76 5.824 3.106 6.243 1.00 1.24 C ATOM 1182 CG GLU A 76 6.994 4.094 6.355 1.00 2.14 C ATOM 1183 CD GLU A 76 6.605 5.406 7.030 1.00 2.48 C ATOM 1184 OE1 GLU A 76 5.788 6.146 6.435 1.00 3.61 O ATOM 1185 OE2 GLU A 76 7.193 5.703 8.095 1.00 2.78 O ATOM 0 H GLU A 76 7.905 2.468 4.899 1.00 1.90 H new ATOM 0 HA GLU A 76 5.248 1.375 5.157 1.00 1.15 H new ATOM 0 HB2 GLU A 76 4.887 3.660 6.306 1.00 1.24 H new ATOM 0 HB3 GLU A 76 5.851 2.428 7.096 1.00 1.24 H new ATOM 0 HG2 GLU A 76 7.803 3.628 6.918 1.00 2.14 H new ATOM 0 HG3 GLU A 76 7.380 4.306 5.358 1.00 2.14 H new ATOM 1192 N LEU A 77 4.004 2.626 3.379 1.00 0.75 N ATOM 1193 CA LEU A 77 3.227 3.328 2.363 1.00 0.74 C ATOM 1194 C LEU A 77 2.625 4.620 2.943 1.00 1.26 C ATOM 1195 O LEU A 77 2.920 5.693 2.437 1.00 3.14 O ATOM 1196 CB LEU A 77 2.214 2.330 1.763 1.00 0.66 C ATOM 1197 CG LEU A 77 2.663 1.776 0.395 1.00 0.81 C ATOM 1198 CD1 LEU A 77 4.043 1.100 0.405 1.00 0.85 C ATOM 1199 CD2 LEU A 77 1.658 0.745 -0.130 1.00 1.11 C ATOM 0 H LEU A 77 3.559 1.777 3.727 1.00 0.75 H new ATOM 0 HA LEU A 77 3.848 3.676 1.537 1.00 0.74 H new ATOM 0 HB2 LEU A 77 2.072 1.502 2.457 1.00 0.66 H new ATOM 0 HB3 LEU A 77 1.248 2.822 1.652 1.00 0.66 H new ATOM 0 HG LEU A 77 2.720 2.655 -0.247 1.00 0.81 H new ATOM 0 HD11 LEU A 77 4.279 0.740 -0.596 1.00 0.85 H new ATOM 0 HD12 LEU A 77 4.799 1.820 0.719 1.00 0.85 H new ATOM 0 HD13 LEU A 77 4.032 0.260 1.099 1.00 0.85 H new ATOM 0 HD21 LEU A 77 1.995 0.368 -1.096 1.00 1.11 H new ATOM 0 HD22 LEU A 77 1.582 -0.082 0.576 1.00 1.11 H new ATOM 0 HD23 LEU A 77 0.681 1.215 -0.245 1.00 1.11 H new ATOM 1211 N LYS A 78 1.893 4.535 4.055 1.00 1.01 N ATOM 1212 CA LYS A 78 1.274 5.635 4.829 1.00 1.03 C ATOM 1213 C LYS A 78 -0.057 6.163 4.232 1.00 0.91 C ATOM 1214 O LYS A 78 -0.070 6.669 3.110 1.00 0.81 O ATOM 1215 CB LYS A 78 2.255 6.767 5.272 1.00 1.31 C ATOM 1216 CG LYS A 78 2.334 8.160 4.568 1.00 1.21 C ATOM 1217 CD LYS A 78 3.389 8.485 3.493 1.00 2.14 C ATOM 1218 CE LYS A 78 4.868 8.208 3.817 1.00 2.30 C ATOM 1219 NZ LYS A 78 5.192 6.767 3.872 1.00 3.36 N ATOM 0 H LYS A 78 1.697 3.628 4.479 1.00 1.01 H new ATOM 0 HA LYS A 78 0.992 5.152 5.765 1.00 1.03 H new ATOM 0 HB2 LYS A 78 2.042 6.965 6.322 1.00 1.31 H new ATOM 0 HB3 LYS A 78 3.257 6.341 5.225 1.00 1.31 H new ATOM 0 HG2 LYS A 78 1.360 8.335 4.112 1.00 1.21 H new ATOM 0 HG3 LYS A 78 2.454 8.902 5.357 1.00 1.21 H new ATOM 0 HD2 LYS A 78 3.134 7.922 2.595 1.00 2.14 H new ATOM 0 HD3 LYS A 78 3.295 9.542 3.244 1.00 2.14 H new ATOM 0 HE2 LYS A 78 5.494 8.686 3.064 1.00 2.30 H new ATOM 0 HE3 LYS A 78 5.116 8.666 4.775 1.00 2.30 H new ATOM 0 HZ1 LYS A 78 6.126 6.605 3.445 1.00 3.36 H new ATOM 0 HZ2 LYS A 78 5.205 6.452 4.863 1.00 3.36 H new ATOM 0 HZ3 LYS A 78 4.473 6.229 3.347 1.00 3.36 H new ATOM 1233 N PRO A 79 -1.170 6.160 5.004 1.00 1.16 N ATOM 1234 CA PRO A 79 -2.486 6.570 4.510 1.00 1.36 C ATOM 1235 C PRO A 79 -2.572 8.051 4.129 1.00 1.26 C ATOM 1236 O PRO A 79 -3.513 8.426 3.436 1.00 2.16 O ATOM 1237 CB PRO A 79 -3.472 6.235 5.635 1.00 1.78 C ATOM 1238 CG PRO A 79 -2.612 6.346 6.890 1.00 1.74 C ATOM 1239 CD PRO A 79 -1.268 5.799 6.416 1.00 1.49 C ATOM 0 HA PRO A 79 -2.711 6.042 3.583 1.00 1.36 H new ATOM 0 HB2 PRO A 79 -4.310 6.931 5.657 1.00 1.78 H new ATOM 0 HB3 PRO A 79 -3.891 5.235 5.520 1.00 1.78 H new ATOM 0 HG2 PRO A 79 -2.532 7.376 7.238 1.00 1.74 H new ATOM 0 HG3 PRO A 79 -3.020 5.762 7.715 1.00 1.74 H new ATOM 0 HD2 PRO A 79 -0.446 6.230 6.988 1.00 1.49 H new ATOM 0 HD3 PRO A 79 -1.216 4.718 6.548 1.00 1.49 H new ATOM 1247 N GLY A 80 -1.609 8.881 4.549 1.00 0.97 N ATOM 1248 CA GLY A 80 -1.522 10.289 4.160 1.00 1.07 C ATOM 1249 C GLY A 80 -0.726 10.552 2.878 1.00 0.97 C ATOM 1250 O GLY A 80 -0.518 11.725 2.580 1.00 1.50 O ATOM 0 H GLY A 80 -0.860 8.587 5.176 1.00 0.97 H new ATOM 0 HA2 GLY A 80 -2.532 10.679 4.031 1.00 1.07 H new ATOM 0 HA3 GLY A 80 -1.066 10.850 4.976 1.00 1.07 H new ATOM 1254 N GLY A 81 -0.254 9.528 2.139 1.00 0.70 N ATOM 1255 CA GLY A 81 0.512 9.793 0.908 1.00 0.69 C ATOM 1256 C GLY A 81 0.818 8.689 -0.094 1.00 0.91 C ATOM 1257 O GLY A 81 1.013 9.007 -1.257 1.00 2.07 O ATOM 0 H GLY A 81 -0.384 8.542 2.364 1.00 0.70 H new ATOM 0 HA2 GLY A 81 -0.021 10.574 0.365 1.00 0.69 H new ATOM 0 HA3 GLY A 81 1.469 10.215 1.215 1.00 0.69 H new ATOM 1261 N TYR A 82 0.841 7.420 0.301 1.00 0.61 N ATOM 1262 CA TYR A 82 0.940 6.273 -0.619 1.00 0.60 C ATOM 1263 C TYR A 82 0.164 5.047 -0.139 1.00 0.62 C ATOM 1264 O TYR A 82 0.017 4.798 1.053 1.00 0.75 O ATOM 1265 CB TYR A 82 2.394 5.869 -0.891 1.00 0.66 C ATOM 1266 CG TYR A 82 3.201 6.904 -1.632 1.00 0.63 C ATOM 1267 CD1 TYR A 82 3.192 6.926 -3.036 1.00 2.07 C ATOM 1268 CD2 TYR A 82 3.922 7.875 -0.913 1.00 1.83 C ATOM 1269 CE1 TYR A 82 3.911 7.915 -3.727 1.00 2.05 C ATOM 1270 CE2 TYR A 82 4.611 8.890 -1.600 1.00 1.89 C ATOM 1271 CZ TYR A 82 4.615 8.910 -3.013 1.00 0.71 C ATOM 1272 OH TYR A 82 5.278 9.884 -3.694 1.00 0.81 O ATOM 0 H TYR A 82 0.791 7.147 1.282 1.00 0.61 H new ATOM 0 HA TYR A 82 0.485 6.623 -1.546 1.00 0.60 H new ATOM 0 HB2 TYR A 82 2.883 5.657 0.060 1.00 0.66 H new ATOM 0 HB3 TYR A 82 2.399 4.943 -1.465 1.00 0.66 H new ATOM 0 HD1 TYR A 82 2.632 6.183 -3.584 1.00 2.07 H new ATOM 0 HD2 TYR A 82 3.946 7.841 0.166 1.00 1.83 H new ATOM 0 HE1 TYR A 82 3.926 7.915 -4.807 1.00 2.05 H new ATOM 0 HE2 TYR A 82 5.137 9.654 -1.048 1.00 1.89 H new ATOM 0 HH TYR A 82 5.710 10.492 -3.058 1.00 0.81 H new ATOM 1282 N HIS A 83 -0.361 4.272 -1.084 1.00 0.53 N ATOM 1283 CA HIS A 83 -1.091 3.032 -0.817 1.00 0.51 C ATOM 1284 C HIS A 83 -1.178 2.165 -2.081 1.00 0.47 C ATOM 1285 O HIS A 83 -1.201 2.713 -3.183 1.00 0.48 O ATOM 1286 CB HIS A 83 -2.476 3.363 -0.244 1.00 0.63 C ATOM 1287 CG HIS A 83 -3.309 4.220 -1.148 1.00 0.58 C ATOM 1288 ND1 HIS A 83 -3.194 5.584 -1.318 1.00 0.55 N ATOM 1289 CD2 HIS A 83 -4.228 3.767 -2.051 1.00 0.60 C ATOM 1290 CE1 HIS A 83 -3.992 5.939 -2.334 1.00 0.51 C ATOM 1291 NE2 HIS A 83 -4.668 4.870 -2.771 1.00 0.55 N ATOM 0 H HIS A 83 -0.290 4.491 -2.078 1.00 0.53 H new ATOM 0 HA HIS A 83 -0.550 2.446 -0.074 1.00 0.51 H new ATOM 0 HB2 HIS A 83 -3.009 2.434 -0.045 1.00 0.63 H new ATOM 0 HB3 HIS A 83 -2.353 3.871 0.713 1.00 0.63 H new ATOM 0 HD1 HIS A 83 -2.606 6.211 -0.768 1.00 0.55 H new ATOM 0 HD2 HIS A 83 -4.551 2.745 -2.181 1.00 0.60 H new ATOM 0 HE1 HIS A 83 -4.077 6.937 -2.739 1.00 0.51 H new ATOM 1299 N PHE A 84 -1.342 0.847 -1.954 1.00 0.51 N ATOM 1300 CA PHE A 84 -1.883 0.065 -3.072 1.00 0.54 C ATOM 1301 C PHE A 84 -3.403 0.212 -3.096 1.00 0.51 C ATOM 1302 O PHE A 84 -4.015 0.121 -2.041 1.00 0.61 O ATOM 1303 CB PHE A 84 -1.489 -1.411 -2.956 1.00 0.68 C ATOM 1304 CG PHE A 84 -0.016 -1.647 -3.179 1.00 0.73 C ATOM 1305 CD1 PHE A 84 0.491 -1.708 -4.490 1.00 1.84 C ATOM 1306 CD2 PHE A 84 0.856 -1.759 -2.084 1.00 1.32 C ATOM 1307 CE1 PHE A 84 1.867 -1.876 -4.703 1.00 1.89 C ATOM 1308 CE2 PHE A 84 2.236 -1.901 -2.297 1.00 1.36 C ATOM 1309 CZ PHE A 84 2.743 -1.947 -3.605 1.00 0.92 C ATOM 0 H PHE A 84 -1.117 0.310 -1.117 1.00 0.51 H new ATOM 0 HA PHE A 84 -1.464 0.444 -4.004 1.00 0.54 H new ATOM 0 HB2 PHE A 84 -1.765 -1.778 -1.967 1.00 0.68 H new ATOM 0 HB3 PHE A 84 -2.058 -1.991 -3.682 1.00 0.68 H new ATOM 0 HD1 PHE A 84 -0.180 -1.625 -5.333 1.00 1.84 H new ATOM 0 HD2 PHE A 84 0.465 -1.736 -1.078 1.00 1.32 H new ATOM 0 HE1 PHE A 84 2.253 -1.951 -5.709 1.00 1.89 H new ATOM 0 HE2 PHE A 84 2.908 -1.975 -1.455 1.00 1.36 H new ATOM 0 HZ PHE A 84 3.807 -2.037 -3.768 1.00 0.92 H new ATOM 1319 N MET A 85 -4.021 0.395 -4.263 1.00 0.47 N ATOM 1320 CA MET A 85 -5.459 0.192 -4.494 1.00 0.46 C ATOM 1321 C MET A 85 -5.694 -1.281 -4.802 1.00 0.42 C ATOM 1322 O MET A 85 -5.020 -1.840 -5.661 1.00 0.47 O ATOM 1323 CB MET A 85 -5.965 1.026 -5.670 1.00 0.56 C ATOM 1324 CG MET A 85 -7.372 1.571 -5.394 1.00 0.70 C ATOM 1325 SD MET A 85 -7.435 2.850 -4.100 1.00 0.53 S ATOM 1326 CE MET A 85 -9.206 2.825 -3.706 1.00 0.58 C ATOM 0 H MET A 85 -3.524 0.697 -5.101 1.00 0.47 H new ATOM 0 HA MET A 85 -5.999 0.503 -3.600 1.00 0.46 H new ATOM 0 HB2 MET A 85 -5.280 1.854 -5.854 1.00 0.56 H new ATOM 0 HB3 MET A 85 -5.978 0.416 -6.573 1.00 0.56 H new ATOM 0 HG2 MET A 85 -7.777 1.984 -6.318 1.00 0.70 H new ATOM 0 HG3 MET A 85 -8.020 0.744 -5.104 1.00 0.70 H new ATOM 0 HE1 MET A 85 -9.516 3.811 -3.361 1.00 0.58 H new ATOM 0 HE2 MET A 85 -9.773 2.558 -4.598 1.00 0.58 H new ATOM 0 HE3 MET A 85 -9.394 2.091 -2.923 1.00 0.58 H new ATOM 1336 N LEU A 86 -6.645 -1.908 -4.117 1.00 0.40 N ATOM 1337 CA LEU A 86 -6.976 -3.326 -4.267 1.00 0.38 C ATOM 1338 C LEU A 86 -8.364 -3.446 -4.905 1.00 0.39 C ATOM 1339 O LEU A 86 -9.336 -2.854 -4.424 1.00 0.47 O ATOM 1340 CB LEU A 86 -6.954 -4.016 -2.894 1.00 0.42 C ATOM 1341 CG LEU A 86 -5.584 -4.420 -2.308 1.00 0.48 C ATOM 1342 CD1 LEU A 86 -4.604 -3.256 -2.133 1.00 0.58 C ATOM 1343 CD2 LEU A 86 -5.820 -5.058 -0.930 1.00 0.56 C ATOM 0 H LEU A 86 -7.223 -1.434 -3.423 1.00 0.40 H new ATOM 0 HA LEU A 86 -6.241 -3.814 -4.907 1.00 0.38 H new ATOM 0 HB2 LEU A 86 -7.441 -3.353 -2.179 1.00 0.42 H new ATOM 0 HB3 LEU A 86 -7.566 -4.915 -2.962 1.00 0.42 H new ATOM 0 HG LEU A 86 -5.130 -5.106 -3.023 1.00 0.48 H new ATOM 0 HD11 LEU A 86 -3.668 -3.628 -1.716 1.00 0.58 H new ATOM 0 HD12 LEU A 86 -4.412 -2.793 -3.101 1.00 0.58 H new ATOM 0 HD13 LEU A 86 -5.034 -2.517 -1.457 1.00 0.58 H new ATOM 0 HD21 LEU A 86 -4.864 -5.352 -0.496 1.00 0.56 H new ATOM 0 HD22 LEU A 86 -6.310 -4.338 -0.275 1.00 0.56 H new ATOM 0 HD23 LEU A 86 -6.454 -5.938 -1.040 1.00 0.56 H new ATOM 1355 N LEU A 87 -8.450 -4.201 -6.002 1.00 0.40 N ATOM 1356 CA LEU A 87 -9.661 -4.352 -6.802 1.00 0.48 C ATOM 1357 C LEU A 87 -10.129 -5.807 -6.747 1.00 0.44 C ATOM 1358 O LEU A 87 -9.367 -6.733 -7.025 1.00 0.51 O ATOM 1359 CB LEU A 87 -9.388 -3.918 -8.260 1.00 0.80 C ATOM 1360 CG LEU A 87 -9.205 -2.408 -8.552 1.00 1.14 C ATOM 1361 CD1 LEU A 87 -10.461 -1.602 -8.189 1.00 1.91 C ATOM 1362 CD2 LEU A 87 -7.994 -1.780 -7.851 1.00 2.90 C ATOM 0 H LEU A 87 -7.660 -4.735 -6.365 1.00 0.40 H new ATOM 0 HA LEU A 87 -10.448 -3.715 -6.398 1.00 0.48 H new ATOM 0 HB2 LEU A 87 -8.489 -4.434 -8.598 1.00 0.80 H new ATOM 0 HB3 LEU A 87 -10.213 -4.278 -8.875 1.00 0.80 H new ATOM 0 HG LEU A 87 -9.027 -2.358 -9.626 1.00 1.14 H new ATOM 0 HD11 LEU A 87 -10.293 -0.548 -8.408 1.00 1.91 H new ATOM 0 HD12 LEU A 87 -11.307 -1.964 -8.773 1.00 1.91 H new ATOM 0 HD13 LEU A 87 -10.676 -1.722 -7.127 1.00 1.91 H new ATOM 0 HD21 LEU A 87 -7.935 -0.722 -8.106 1.00 2.90 H new ATOM 0 HD22 LEU A 87 -8.102 -1.888 -6.772 1.00 2.90 H new ATOM 0 HD23 LEU A 87 -7.084 -2.283 -8.177 1.00 2.90 H new ATOM 1374 N GLY A 88 -11.405 -6.005 -6.419 1.00 0.60 N ATOM 1375 CA GLY A 88 -12.103 -7.296 -6.516 1.00 0.79 C ATOM 1376 C GLY A 88 -11.802 -8.277 -5.379 1.00 0.78 C ATOM 1377 O GLY A 88 -11.552 -9.448 -5.663 1.00 0.95 O ATOM 0 H GLY A 88 -12.002 -5.255 -6.069 1.00 0.60 H new ATOM 0 HA2 GLY A 88 -13.177 -7.111 -6.543 1.00 0.79 H new ATOM 0 HA3 GLY A 88 -11.837 -7.766 -7.463 1.00 0.79 H new ATOM 1381 N LEU A 89 -11.794 -7.804 -4.127 1.00 0.75 N ATOM 1382 CA LEU A 89 -11.595 -8.599 -2.901 1.00 0.77 C ATOM 1383 C LEU A 89 -12.334 -9.944 -2.792 1.00 0.88 C ATOM 1384 O LEU A 89 -13.400 -10.162 -3.361 1.00 1.07 O ATOM 1385 CB LEU A 89 -11.791 -7.744 -1.632 1.00 0.84 C ATOM 1386 CG LEU A 89 -13.046 -6.844 -1.528 1.00 0.88 C ATOM 1387 CD1 LEU A 89 -14.377 -7.562 -1.797 1.00 1.28 C ATOM 1388 CD2 LEU A 89 -13.094 -6.205 -0.135 1.00 1.37 C ATOM 0 H LEU A 89 -11.932 -6.813 -3.928 1.00 0.75 H new ATOM 0 HA LEU A 89 -10.553 -8.907 -2.988 1.00 0.77 H new ATOM 0 HB2 LEU A 89 -11.797 -8.419 -0.776 1.00 0.84 H new ATOM 0 HB3 LEU A 89 -10.915 -7.103 -1.527 1.00 0.84 H new ATOM 0 HG LEU A 89 -12.943 -6.097 -2.315 1.00 0.88 H new ATOM 0 HD11 LEU A 89 -15.199 -6.852 -1.702 1.00 1.28 H new ATOM 0 HD12 LEU A 89 -14.370 -7.976 -2.805 1.00 1.28 H new ATOM 0 HD13 LEU A 89 -14.508 -8.368 -1.075 1.00 1.28 H new ATOM 0 HD21 LEU A 89 -13.976 -5.570 -0.056 1.00 1.37 H new ATOM 0 HD22 LEU A 89 -13.141 -6.987 0.623 1.00 1.37 H new ATOM 0 HD23 LEU A 89 -12.199 -5.603 0.020 1.00 1.37 H new ATOM 1400 N LYS A 90 -11.693 -10.864 -2.063 1.00 0.92 N ATOM 1401 CA LYS A 90 -12.123 -12.278 -1.944 1.00 1.01 C ATOM 1402 C LYS A 90 -12.544 -12.702 -0.521 1.00 1.16 C ATOM 1403 O LYS A 90 -13.342 -13.624 -0.357 1.00 1.25 O ATOM 1404 CB LYS A 90 -11.032 -13.210 -2.507 1.00 0.87 C ATOM 1405 CG LYS A 90 -10.540 -12.881 -3.934 1.00 0.87 C ATOM 1406 CD LYS A 90 -11.660 -12.731 -4.971 1.00 1.56 C ATOM 1407 CE LYS A 90 -11.127 -12.412 -6.377 1.00 1.58 C ATOM 1408 NZ LYS A 90 -12.177 -11.783 -7.217 1.00 2.86 N ATOM 0 H LYS A 90 -10.850 -10.654 -1.529 1.00 0.92 H new ATOM 0 HA LYS A 90 -13.031 -12.371 -2.540 1.00 1.01 H new ATOM 0 HB2 LYS A 90 -10.176 -13.185 -1.833 1.00 0.87 H new ATOM 0 HB3 LYS A 90 -11.414 -14.231 -2.501 1.00 0.87 H new ATOM 0 HG2 LYS A 90 -9.964 -11.956 -3.903 1.00 0.87 H new ATOM 0 HG3 LYS A 90 -9.861 -13.668 -4.262 1.00 0.87 H new ATOM 0 HD2 LYS A 90 -12.242 -13.652 -5.008 1.00 1.56 H new ATOM 0 HD3 LYS A 90 -12.338 -11.938 -4.655 1.00 1.56 H new ATOM 0 HE2 LYS A 90 -10.269 -11.744 -6.301 1.00 1.58 H new ATOM 0 HE3 LYS A 90 -10.777 -13.328 -6.853 1.00 1.58 H new ATOM 0 HZ1 LYS A 90 -11.806 -11.625 -8.176 1.00 2.86 H new ATOM 0 HZ2 LYS A 90 -13.005 -12.410 -7.265 1.00 2.86 H new ATOM 0 HZ3 LYS A 90 -12.457 -10.872 -6.799 1.00 2.86 H new ATOM 1422 N ARG A 91 -12.063 -11.974 0.493 1.00 1.35 N ATOM 1423 CA ARG A 91 -12.770 -11.767 1.769 1.00 1.45 C ATOM 1424 C ARG A 91 -13.616 -10.480 1.630 1.00 1.06 C ATOM 1425 O ARG A 91 -13.358 -9.707 0.705 1.00 0.91 O ATOM 1426 CB ARG A 91 -11.779 -11.551 2.935 1.00 1.82 C ATOM 1427 CG ARG A 91 -11.037 -12.767 3.503 1.00 2.31 C ATOM 1428 CD ARG A 91 -10.226 -12.283 4.723 1.00 3.53 C ATOM 1429 NE ARG A 91 -9.510 -13.375 5.403 1.00 4.02 N ATOM 1430 CZ ARG A 91 -9.615 -13.714 6.688 1.00 4.86 C ATOM 1431 NH1 ARG A 91 -10.473 -13.168 7.527 1.00 5.70 N ATOM 1432 NH2 ARG A 91 -8.822 -14.645 7.171 1.00 5.55 N ATOM 0 H ARG A 91 -11.159 -11.504 0.453 1.00 1.35 H new ATOM 0 HA ARG A 91 -13.377 -12.647 1.982 1.00 1.45 H new ATOM 0 HB2 ARG A 91 -11.030 -10.831 2.604 1.00 1.82 H new ATOM 0 HB3 ARG A 91 -12.328 -11.086 3.754 1.00 1.82 H new ATOM 0 HG2 ARG A 91 -11.742 -13.545 3.795 1.00 2.31 H new ATOM 0 HG3 ARG A 91 -10.378 -13.200 2.751 1.00 2.31 H new ATOM 0 HD2 ARG A 91 -9.508 -11.530 4.400 1.00 3.53 H new ATOM 0 HD3 ARG A 91 -10.898 -11.799 5.432 1.00 3.53 H new ATOM 0 HE ARG A 91 -8.869 -13.928 4.834 1.00 4.02 H new ATOM 0 HH11 ARG A 91 -11.109 -12.439 7.204 1.00 5.70 H new ATOM 0 HH12 ARG A 91 -10.501 -13.475 8.499 1.00 5.70 H new ATOM 0 HH21 ARG A 91 -8.138 -15.097 6.564 1.00 5.55 H new ATOM 0 HH22 ARG A 91 -8.891 -14.915 8.152 1.00 5.55 H new ATOM 1446 N PRO A 92 -14.539 -10.174 2.560 1.00 1.42 N ATOM 1447 CA PRO A 92 -14.851 -8.784 2.887 1.00 1.45 C ATOM 1448 C PRO A 92 -13.608 -8.093 3.482 1.00 1.83 C ATOM 1449 O PRO A 92 -12.571 -8.724 3.675 1.00 2.66 O ATOM 1450 CB PRO A 92 -15.999 -8.870 3.895 1.00 2.08 C ATOM 1451 CG PRO A 92 -15.730 -10.189 4.620 1.00 2.61 C ATOM 1452 CD PRO A 92 -15.153 -11.081 3.522 1.00 2.12 C ATOM 0 HA PRO A 92 -15.136 -8.192 2.017 1.00 1.45 H new ATOM 0 HB2 PRO A 92 -15.995 -8.024 4.583 1.00 2.08 H new ATOM 0 HB3 PRO A 92 -16.970 -8.874 3.400 1.00 2.08 H new ATOM 0 HG2 PRO A 92 -15.028 -10.060 5.444 1.00 2.61 H new ATOM 0 HG3 PRO A 92 -16.643 -10.610 5.042 1.00 2.61 H new ATOM 0 HD2 PRO A 92 -14.419 -11.777 3.928 1.00 2.12 H new ATOM 0 HD3 PRO A 92 -15.934 -11.679 3.053 1.00 2.12 H new ATOM 1460 N LEU A 93 -13.699 -6.798 3.802 1.00 1.69 N ATOM 1461 CA LEU A 93 -12.673 -6.133 4.609 1.00 1.96 C ATOM 1462 C LEU A 93 -13.341 -5.393 5.765 1.00 1.93 C ATOM 1463 O LEU A 93 -13.835 -4.274 5.621 1.00 2.31 O ATOM 1464 CB LEU A 93 -11.797 -5.234 3.714 1.00 2.18 C ATOM 1465 CG LEU A 93 -10.850 -6.016 2.774 1.00 1.63 C ATOM 1466 CD1 LEU A 93 -10.154 -5.030 1.834 1.00 2.56 C ATOM 1467 CD2 LEU A 93 -9.762 -6.820 3.495 1.00 2.14 C ATOM 0 H LEU A 93 -14.469 -6.193 3.516 1.00 1.69 H new ATOM 0 HA LEU A 93 -11.996 -6.863 5.054 1.00 1.96 H new ATOM 0 HB2 LEU A 93 -12.444 -4.596 3.112 1.00 2.18 H new ATOM 0 HB3 LEU A 93 -11.202 -4.577 4.348 1.00 2.18 H new ATOM 0 HG LEU A 93 -11.481 -6.730 2.245 1.00 1.63 H new ATOM 0 HD11 LEU A 93 -9.484 -5.574 1.168 1.00 2.56 H new ATOM 0 HD12 LEU A 93 -10.902 -4.500 1.244 1.00 2.56 H new ATOM 0 HD13 LEU A 93 -9.579 -4.313 2.420 1.00 2.56 H new ATOM 0 HD21 LEU A 93 -9.144 -7.337 2.760 1.00 2.14 H new ATOM 0 HD22 LEU A 93 -9.140 -6.145 4.082 1.00 2.14 H new ATOM 0 HD23 LEU A 93 -10.228 -7.551 4.156 1.00 2.14 H new ATOM 1479 N LYS A 94 -13.402 -6.056 6.918 1.00 1.62 N ATOM 1480 CA LYS A 94 -13.931 -5.486 8.155 1.00 1.62 C ATOM 1481 C LYS A 94 -12.830 -4.990 9.100 1.00 1.51 C ATOM 1482 O LYS A 94 -11.691 -5.450 9.070 1.00 1.75 O ATOM 1483 CB LYS A 94 -14.843 -6.502 8.866 1.00 1.74 C ATOM 1484 CG LYS A 94 -15.978 -7.054 7.997 1.00 2.25 C ATOM 1485 CD LYS A 94 -16.913 -5.986 7.401 1.00 3.86 C ATOM 1486 CE LYS A 94 -17.974 -6.593 6.468 1.00 5.10 C ATOM 1487 NZ LYS A 94 -18.796 -7.638 7.128 1.00 5.67 N ATOM 0 H LYS A 94 -13.081 -7.019 7.021 1.00 1.62 H new ATOM 0 HA LYS A 94 -14.518 -4.611 7.876 1.00 1.62 H new ATOM 0 HB2 LYS A 94 -14.234 -7.335 9.217 1.00 1.74 H new ATOM 0 HB3 LYS A 94 -15.275 -6.029 9.748 1.00 1.74 H new ATOM 0 HG2 LYS A 94 -15.544 -7.632 7.182 1.00 2.25 H new ATOM 0 HG3 LYS A 94 -16.573 -7.744 8.596 1.00 2.25 H new ATOM 0 HD2 LYS A 94 -17.408 -5.448 8.209 1.00 3.86 H new ATOM 0 HD3 LYS A 94 -16.321 -5.256 6.848 1.00 3.86 H new ATOM 0 HE2 LYS A 94 -18.627 -5.800 6.105 1.00 5.10 H new ATOM 0 HE3 LYS A 94 -17.480 -7.023 5.597 1.00 5.10 H new ATOM 0 HZ1 LYS A 94 -19.557 -7.938 6.486 1.00 5.67 H new ATOM 0 HZ2 LYS A 94 -18.197 -8.456 7.360 1.00 5.67 H new ATOM 0 HZ3 LYS A 94 -19.211 -7.254 8.001 1.00 5.67 H new ATOM 1501 N ALA A 95 -13.242 -4.103 10.002 1.00 1.45 N ATOM 1502 CA ALA A 95 -12.513 -3.833 11.228 1.00 1.33 C ATOM 1503 C ALA A 95 -12.335 -5.161 11.973 1.00 1.16 C ATOM 1504 O ALA A 95 -13.283 -5.940 12.095 1.00 1.21 O ATOM 1505 CB ALA A 95 -13.291 -2.792 12.041 1.00 1.39 C ATOM 0 H ALA A 95 -14.094 -3.552 9.898 1.00 1.45 H new ATOM 0 HA ALA A 95 -11.523 -3.419 11.038 1.00 1.33 H new ATOM 0 HB1 ALA A 95 -12.755 -2.578 12.966 1.00 1.39 H new ATOM 0 HB2 ALA A 95 -13.390 -1.876 11.459 1.00 1.39 H new ATOM 0 HB3 ALA A 95 -14.282 -3.181 12.277 1.00 1.39 H new ATOM 1511 N GLY A 96 -11.104 -5.426 12.384 1.00 1.11 N ATOM 1512 CA GLY A 96 -10.665 -6.624 13.106 1.00 1.08 C ATOM 1513 C GLY A 96 -10.240 -7.829 12.254 1.00 1.13 C ATOM 1514 O GLY A 96 -9.884 -8.845 12.846 1.00 1.44 O ATOM 0 H GLY A 96 -10.336 -4.777 12.216 1.00 1.11 H new ATOM 0 HA2 GLY A 96 -9.827 -6.347 13.745 1.00 1.08 H new ATOM 0 HA3 GLY A 96 -11.475 -6.941 13.763 1.00 1.08 H new ATOM 1518 N GLU A 97 -10.265 -7.758 10.913 1.00 1.07 N ATOM 1519 CA GLU A 97 -9.766 -8.852 10.050 1.00 1.07 C ATOM 1520 C GLU A 97 -8.232 -8.838 9.871 1.00 0.88 C ATOM 1521 O GLU A 97 -7.502 -8.099 10.528 1.00 0.71 O ATOM 1522 CB GLU A 97 -10.537 -8.919 8.709 1.00 1.15 C ATOM 1523 CG GLU A 97 -11.906 -9.572 8.896 1.00 1.13 C ATOM 1524 CD GLU A 97 -12.589 -9.882 7.565 1.00 1.31 C ATOM 1525 OE1 GLU A 97 -13.264 -8.968 7.033 1.00 2.66 O ATOM 1526 OE2 GLU A 97 -12.423 -11.039 7.098 1.00 1.85 O ATOM 0 H GLU A 97 -10.625 -6.955 10.398 1.00 1.07 H new ATOM 0 HA GLU A 97 -9.975 -9.783 10.577 1.00 1.07 H new ATOM 0 HB2 GLU A 97 -10.662 -7.914 8.307 1.00 1.15 H new ATOM 0 HB3 GLU A 97 -9.957 -9.485 7.980 1.00 1.15 H new ATOM 0 HG2 GLU A 97 -11.791 -10.494 9.466 1.00 1.13 H new ATOM 0 HG3 GLU A 97 -12.544 -8.911 9.484 1.00 1.13 H new ATOM 1533 N GLU A 98 -7.735 -9.685 8.968 1.00 1.02 N ATOM 1534 CA GLU A 98 -6.403 -10.253 8.897 1.00 0.82 C ATOM 1535 C GLU A 98 -6.149 -10.546 7.410 1.00 0.80 C ATOM 1536 O GLU A 98 -6.959 -11.194 6.745 1.00 1.15 O ATOM 1537 CB GLU A 98 -6.345 -11.534 9.767 1.00 1.48 C ATOM 1538 CG GLU A 98 -7.243 -12.662 9.221 1.00 2.82 C ATOM 1539 CD GLU A 98 -7.530 -13.829 10.155 1.00 3.75 C ATOM 1540 OE1 GLU A 98 -6.689 -14.125 11.026 1.00 3.78 O ATOM 1541 OE2 GLU A 98 -8.571 -14.482 9.893 1.00 5.01 O ATOM 0 H GLU A 98 -8.317 -10.017 8.199 1.00 1.02 H new ATOM 0 HA GLU A 98 -5.635 -9.582 9.280 1.00 0.82 H new ATOM 0 HB2 GLU A 98 -5.315 -11.887 9.819 1.00 1.48 H new ATOM 0 HB3 GLU A 98 -6.651 -11.292 10.785 1.00 1.48 H new ATOM 0 HG2 GLU A 98 -8.196 -12.223 8.924 1.00 2.82 H new ATOM 0 HG3 GLU A 98 -6.779 -13.057 8.317 1.00 2.82 H new ATOM 1548 N VAL A 99 -5.064 -10.017 6.860 1.00 0.61 N ATOM 1549 CA VAL A 99 -4.765 -10.103 5.426 1.00 0.63 C ATOM 1550 C VAL A 99 -3.264 -10.256 5.206 1.00 0.58 C ATOM 1551 O VAL A 99 -2.468 -9.427 5.650 1.00 0.68 O ATOM 1552 CB VAL A 99 -5.333 -8.872 4.673 1.00 0.82 C ATOM 1553 CG1 VAL A 99 -4.753 -8.743 3.254 1.00 1.13 C ATOM 1554 CG2 VAL A 99 -6.868 -8.959 4.567 1.00 0.95 C ATOM 0 H VAL A 99 -4.358 -9.511 7.395 1.00 0.61 H new ATOM 0 HA VAL A 99 -5.253 -10.988 5.017 1.00 0.63 H new ATOM 0 HB VAL A 99 -5.044 -7.995 5.252 1.00 0.82 H new ATOM 0 HG11 VAL A 99 -5.179 -7.867 2.765 1.00 1.13 H new ATOM 0 HG12 VAL A 99 -3.670 -8.635 3.312 1.00 1.13 H new ATOM 0 HG13 VAL A 99 -4.998 -9.635 2.678 1.00 1.13 H new ATOM 0 HG21 VAL A 99 -7.246 -8.086 4.035 1.00 0.95 H new ATOM 0 HG22 VAL A 99 -7.145 -9.863 4.024 1.00 0.95 H new ATOM 0 HG23 VAL A 99 -7.301 -8.990 5.567 1.00 0.95 H new ATOM 1564 N GLU A 100 -2.895 -11.309 4.473 1.00 0.62 N ATOM 1565 CA GLU A 100 -1.540 -11.476 3.956 1.00 0.70 C ATOM 1566 C GLU A 100 -1.314 -10.626 2.695 1.00 0.68 C ATOM 1567 O GLU A 100 -2.236 -10.377 1.908 1.00 0.64 O ATOM 1568 CB GLU A 100 -1.205 -12.958 3.708 1.00 0.95 C ATOM 1569 CG GLU A 100 -1.937 -13.551 2.500 1.00 1.76 C ATOM 1570 CD GLU A 100 -1.514 -14.989 2.233 1.00 1.88 C ATOM 1571 OE1 GLU A 100 -0.319 -15.183 1.915 1.00 2.05 O ATOM 1572 OE2 GLU A 100 -2.396 -15.867 2.300 1.00 3.03 O ATOM 0 H GLU A 100 -3.529 -12.068 4.223 1.00 0.62 H new ATOM 0 HA GLU A 100 -0.852 -11.116 4.721 1.00 0.70 H new ATOM 0 HB2 GLU A 100 -0.130 -13.060 3.559 1.00 0.95 H new ATOM 0 HB3 GLU A 100 -1.460 -13.535 4.597 1.00 0.95 H new ATOM 0 HG2 GLU A 100 -3.013 -13.515 2.673 1.00 1.76 H new ATOM 0 HG3 GLU A 100 -1.735 -12.943 1.618 1.00 1.76 H new ATOM 1579 N LEU A 101 -0.058 -10.229 2.498 1.00 0.83 N ATOM 1580 CA LEU A 101 0.444 -9.431 1.380 1.00 0.74 C ATOM 1581 C LEU A 101 1.843 -9.893 0.968 1.00 0.68 C ATOM 1582 O LEU A 101 2.645 -10.298 1.806 1.00 0.85 O ATOM 1583 CB LEU A 101 0.461 -7.940 1.781 1.00 0.94 C ATOM 1584 CG LEU A 101 -0.827 -7.214 1.337 1.00 1.18 C ATOM 1585 CD1 LEU A 101 -1.254 -6.169 2.360 1.00 1.99 C ATOM 1586 CD2 LEU A 101 -0.654 -6.496 -0.011 1.00 1.75 C ATOM 0 H LEU A 101 0.683 -10.471 3.156 1.00 0.83 H new ATOM 0 HA LEU A 101 -0.217 -9.565 0.523 1.00 0.74 H new ATOM 0 HB2 LEU A 101 0.572 -7.855 2.862 1.00 0.94 H new ATOM 0 HB3 LEU A 101 1.327 -7.452 1.332 1.00 0.94 H new ATOM 0 HG LEU A 101 -1.586 -7.991 1.244 1.00 1.18 H new ATOM 0 HD11 LEU A 101 -2.164 -5.676 2.018 1.00 1.99 H new ATOM 0 HD12 LEU A 101 -1.442 -6.653 3.318 1.00 1.99 H new ATOM 0 HD13 LEU A 101 -0.462 -5.429 2.477 1.00 1.99 H new ATOM 0 HD21 LEU A 101 -1.586 -6.000 -0.281 1.00 1.75 H new ATOM 0 HD22 LEU A 101 0.141 -5.755 0.071 1.00 1.75 H new ATOM 0 HD23 LEU A 101 -0.394 -7.223 -0.780 1.00 1.75 H new ATOM 1598 N ASP A 102 2.107 -9.776 -0.329 1.00 0.63 N ATOM 1599 CA ASP A 102 3.336 -10.101 -1.049 1.00 0.62 C ATOM 1600 C ASP A 102 3.834 -8.831 -1.750 1.00 0.59 C ATOM 1601 O ASP A 102 3.222 -8.381 -2.722 1.00 0.92 O ATOM 1602 CB ASP A 102 2.987 -11.168 -2.106 1.00 0.73 C ATOM 1603 CG ASP A 102 2.733 -12.554 -1.519 1.00 1.18 C ATOM 1604 OD1 ASP A 102 3.475 -12.966 -0.602 1.00 2.20 O ATOM 1605 OD2 ASP A 102 1.784 -13.232 -1.974 1.00 1.70 O ATOM 0 H ASP A 102 1.396 -9.416 -0.966 1.00 0.63 H new ATOM 0 HA ASP A 102 4.107 -10.473 -0.375 1.00 0.62 H new ATOM 0 HB2 ASP A 102 2.101 -10.847 -2.654 1.00 0.73 H new ATOM 0 HB3 ASP A 102 3.802 -11.232 -2.827 1.00 0.73 H new ATOM 1610 N LEU A 103 4.922 -8.223 -1.272 1.00 0.68 N ATOM 1611 CA LEU A 103 5.478 -7.000 -1.869 1.00 0.63 C ATOM 1612 C LEU A 103 6.394 -7.345 -3.052 1.00 0.66 C ATOM 1613 O LEU A 103 7.326 -8.128 -2.889 1.00 0.79 O ATOM 1614 CB LEU A 103 6.257 -6.194 -0.819 1.00 0.70 C ATOM 1615 CG LEU A 103 5.398 -5.342 0.134 1.00 0.81 C ATOM 1616 CD1 LEU A 103 4.621 -6.186 1.156 1.00 0.96 C ATOM 1617 CD2 LEU A 103 6.337 -4.367 0.859 1.00 0.99 C ATOM 0 H LEU A 103 5.443 -8.561 -0.463 1.00 0.68 H new ATOM 0 HA LEU A 103 4.649 -6.393 -2.234 1.00 0.63 H new ATOM 0 HB2 LEU A 103 6.852 -6.886 -0.223 1.00 0.70 H new ATOM 0 HB3 LEU A 103 6.956 -5.536 -1.336 1.00 0.70 H new ATOM 0 HG LEU A 103 4.647 -4.813 -0.453 1.00 0.81 H new ATOM 0 HD11 LEU A 103 4.035 -5.530 1.799 1.00 0.96 H new ATOM 0 HD12 LEU A 103 3.954 -6.870 0.631 1.00 0.96 H new ATOM 0 HD13 LEU A 103 5.322 -6.758 1.764 1.00 0.96 H new ATOM 0 HD21 LEU A 103 5.759 -3.747 1.544 1.00 0.99 H new ATOM 0 HD22 LEU A 103 7.083 -4.930 1.421 1.00 0.99 H new ATOM 0 HD23 LEU A 103 6.837 -3.732 0.128 1.00 0.99 H new ATOM 1629 N LEU A 104 6.169 -6.725 -4.219 1.00 0.60 N ATOM 1630 CA LEU A 104 6.925 -6.978 -5.450 1.00 0.61 C ATOM 1631 C LEU A 104 8.022 -5.922 -5.635 1.00 0.61 C ATOM 1632 O LEU A 104 7.770 -4.777 -6.038 1.00 0.52 O ATOM 1633 CB LEU A 104 5.955 -7.018 -6.651 1.00 0.60 C ATOM 1634 CG LEU A 104 4.820 -8.063 -6.564 1.00 0.63 C ATOM 1635 CD1 LEU A 104 3.970 -8.026 -7.842 1.00 0.64 C ATOM 1636 CD2 LEU A 104 5.345 -9.489 -6.346 1.00 0.70 C ATOM 0 H LEU A 104 5.441 -6.020 -4.334 1.00 0.60 H new ATOM 0 HA LEU A 104 7.422 -7.946 -5.382 1.00 0.61 H new ATOM 0 HB2 LEU A 104 5.507 -6.031 -6.765 1.00 0.60 H new ATOM 0 HB3 LEU A 104 6.533 -7.212 -7.555 1.00 0.60 H new ATOM 0 HG LEU A 104 4.214 -7.798 -5.698 1.00 0.63 H new ATOM 0 HD11 LEU A 104 3.173 -8.766 -7.770 1.00 0.64 H new ATOM 0 HD12 LEU A 104 3.534 -7.034 -7.961 1.00 0.64 H new ATOM 0 HD13 LEU A 104 4.598 -8.252 -8.704 1.00 0.64 H new ATOM 0 HD21 LEU A 104 4.505 -10.182 -6.292 1.00 0.70 H new ATOM 0 HD22 LEU A 104 5.994 -9.769 -7.176 1.00 0.70 H new ATOM 0 HD23 LEU A 104 5.909 -9.530 -5.414 1.00 0.70 H new ATOM 1648 N PHE A 105 9.263 -6.312 -5.347 1.00 0.78 N ATOM 1649 CA PHE A 105 10.450 -5.484 -5.508 1.00 0.75 C ATOM 1650 C PHE A 105 11.177 -5.795 -6.825 1.00 0.77 C ATOM 1651 O PHE A 105 11.277 -6.951 -7.246 1.00 0.95 O ATOM 1652 CB PHE A 105 11.372 -5.679 -4.302 1.00 0.85 C ATOM 1653 CG PHE A 105 10.757 -5.231 -2.992 1.00 0.86 C ATOM 1654 CD1 PHE A 105 10.712 -3.861 -2.671 1.00 2.17 C ATOM 1655 CD2 PHE A 105 10.233 -6.177 -2.089 1.00 1.69 C ATOM 1656 CE1 PHE A 105 10.179 -3.440 -1.441 1.00 2.23 C ATOM 1657 CE2 PHE A 105 9.703 -5.752 -0.859 1.00 1.67 C ATOM 1658 CZ PHE A 105 9.682 -4.388 -0.531 1.00 0.98 C ATOM 0 H PHE A 105 9.473 -7.242 -4.984 1.00 0.78 H new ATOM 0 HA PHE A 105 10.147 -4.438 -5.556 1.00 0.75 H new ATOM 0 HB2 PHE A 105 11.640 -6.733 -4.227 1.00 0.85 H new ATOM 0 HB3 PHE A 105 12.296 -5.126 -4.468 1.00 0.85 H new ATOM 0 HD1 PHE A 105 11.088 -3.131 -3.373 1.00 2.17 H new ATOM 0 HD2 PHE A 105 10.239 -7.227 -2.342 1.00 1.69 H new ATOM 0 HE1 PHE A 105 10.151 -2.389 -1.195 1.00 2.23 H new ATOM 0 HE2 PHE A 105 9.310 -6.478 -0.163 1.00 1.67 H new ATOM 0 HZ PHE A 105 9.284 -4.067 0.420 1.00 0.98 H new ATOM 1668 N ALA A 106 11.722 -4.752 -7.455 1.00 0.72 N ATOM 1669 CA ALA A 106 12.404 -4.834 -8.746 1.00 0.73 C ATOM 1670 C ALA A 106 13.523 -5.892 -8.753 1.00 1.30 C ATOM 1671 O ALA A 106 14.364 -5.947 -7.847 1.00 2.01 O ATOM 1672 CB ALA A 106 12.933 -3.442 -9.115 1.00 1.09 C ATOM 0 H ALA A 106 11.700 -3.807 -7.072 1.00 0.72 H new ATOM 0 HA ALA A 106 11.688 -5.161 -9.500 1.00 0.73 H new ATOM 0 HB1 ALA A 106 13.444 -3.490 -10.077 1.00 1.09 H new ATOM 0 HB2 ALA A 106 12.100 -2.742 -9.181 1.00 1.09 H new ATOM 0 HB3 ALA A 106 13.631 -3.103 -8.350 1.00 1.09 H new ATOM 1678 N GLY A 107 13.528 -6.741 -9.789 1.00 1.71 N ATOM 1679 CA GLY A 107 14.485 -7.845 -9.942 1.00 2.47 C ATOM 1680 C GLY A 107 14.074 -9.129 -9.215 1.00 2.10 C ATOM 1681 O GLY A 107 14.926 -9.752 -8.587 1.00 2.95 O ATOM 0 H GLY A 107 12.858 -6.679 -10.555 1.00 1.71 H new ATOM 0 HA2 GLY A 107 14.606 -8.063 -11.003 1.00 2.47 H new ATOM 0 HA3 GLY A 107 15.458 -7.524 -9.569 1.00 2.47 H new ATOM 1685 N GLY A 108 12.792 -9.511 -9.272 1.00 1.36 N ATOM 1686 CA GLY A 108 12.312 -10.855 -8.901 1.00 1.55 C ATOM 1687 C GLY A 108 12.155 -11.122 -7.401 1.00 1.53 C ATOM 1688 O GLY A 108 11.887 -12.253 -7.006 1.00 2.13 O ATOM 0 H GLY A 108 12.045 -8.889 -9.581 1.00 1.36 H new ATOM 0 HA2 GLY A 108 11.348 -11.020 -9.382 1.00 1.55 H new ATOM 0 HA3 GLY A 108 13.003 -11.592 -9.311 1.00 1.55 H new ATOM 1692 N LYS A 109 12.312 -10.111 -6.545 1.00 1.09 N ATOM 1693 CA LYS A 109 12.196 -10.278 -5.092 1.00 1.07 C ATOM 1694 C LYS A 109 10.760 -10.048 -4.617 1.00 1.02 C ATOM 1695 O LYS A 109 10.280 -8.919 -4.646 1.00 1.26 O ATOM 1696 CB LYS A 109 13.181 -9.333 -4.397 1.00 1.04 C ATOM 1697 CG LYS A 109 14.593 -9.935 -4.438 1.00 1.27 C ATOM 1698 CD LYS A 109 15.675 -8.856 -4.578 1.00 1.53 C ATOM 1699 CE LYS A 109 15.635 -8.294 -6.008 1.00 2.59 C ATOM 1700 NZ LYS A 109 16.312 -6.985 -6.137 1.00 3.32 N ATOM 0 H LYS A 109 12.522 -9.156 -6.836 1.00 1.09 H new ATOM 0 HA LYS A 109 12.448 -11.305 -4.828 1.00 1.07 H new ATOM 0 HB2 LYS A 109 13.176 -8.360 -4.889 1.00 1.04 H new ATOM 0 HB3 LYS A 109 12.875 -9.169 -3.364 1.00 1.04 H new ATOM 0 HG2 LYS A 109 14.769 -10.509 -3.528 1.00 1.27 H new ATOM 0 HG3 LYS A 109 14.666 -10.632 -5.273 1.00 1.27 H new ATOM 0 HD2 LYS A 109 15.508 -8.058 -3.855 1.00 1.53 H new ATOM 0 HD3 LYS A 109 16.658 -9.278 -4.366 1.00 1.53 H new ATOM 0 HE2 LYS A 109 16.105 -9.007 -6.685 1.00 2.59 H new ATOM 0 HE3 LYS A 109 14.596 -8.192 -6.323 1.00 2.59 H new ATOM 0 HZ1 LYS A 109 15.761 -6.370 -6.769 1.00 3.32 H new ATOM 0 HZ2 LYS A 109 16.389 -6.540 -5.200 1.00 3.32 H new ATOM 0 HZ3 LYS A 109 17.264 -7.124 -6.533 1.00 3.32 H new ATOM 1714 N VAL A 110 10.125 -11.115 -4.144 1.00 0.91 N ATOM 1715 CA VAL A 110 8.798 -11.093 -3.513 1.00 0.88 C ATOM 1716 C VAL A 110 8.928 -11.359 -2.011 1.00 0.90 C ATOM 1717 O VAL A 110 9.670 -12.256 -1.612 1.00 1.03 O ATOM 1718 CB VAL A 110 7.809 -12.064 -4.201 1.00 0.95 C ATOM 1719 CG1 VAL A 110 8.280 -13.531 -4.205 1.00 1.67 C ATOM 1720 CG2 VAL A 110 6.407 -11.971 -3.579 1.00 2.23 C ATOM 0 H VAL A 110 10.527 -12.051 -4.188 1.00 0.91 H new ATOM 0 HA VAL A 110 8.373 -10.098 -3.644 1.00 0.88 H new ATOM 0 HB VAL A 110 7.769 -11.740 -5.241 1.00 0.95 H new ATOM 0 HG11 VAL A 110 7.535 -14.151 -4.704 1.00 1.67 H new ATOM 0 HG12 VAL A 110 9.229 -13.607 -4.735 1.00 1.67 H new ATOM 0 HG13 VAL A 110 8.409 -13.874 -3.179 1.00 1.67 H new ATOM 0 HG21 VAL A 110 5.737 -12.666 -4.086 1.00 2.23 H new ATOM 0 HG22 VAL A 110 6.461 -12.226 -2.521 1.00 2.23 H new ATOM 0 HG23 VAL A 110 6.027 -10.955 -3.689 1.00 2.23 H new ATOM 1730 N LEU A 111 8.237 -10.559 -1.189 1.00 0.85 N ATOM 1731 CA LEU A 111 8.319 -10.626 0.270 1.00 0.87 C ATOM 1732 C LEU A 111 6.928 -10.724 0.906 1.00 0.82 C ATOM 1733 O LEU A 111 6.161 -9.761 0.897 1.00 1.25 O ATOM 1734 CB LEU A 111 9.106 -9.398 0.763 1.00 1.00 C ATOM 1735 CG LEU A 111 9.319 -9.316 2.290 1.00 1.30 C ATOM 1736 CD1 LEU A 111 10.002 -10.567 2.860 1.00 1.89 C ATOM 1737 CD2 LEU A 111 10.182 -8.081 2.593 1.00 1.91 C ATOM 0 H LEU A 111 7.598 -9.839 -1.526 1.00 0.85 H new ATOM 0 HA LEU A 111 8.844 -11.531 0.574 1.00 0.87 H new ATOM 0 HB2 LEU A 111 10.081 -9.394 0.277 1.00 1.00 H new ATOM 0 HB3 LEU A 111 8.584 -8.498 0.437 1.00 1.00 H new ATOM 0 HG LEU A 111 8.340 -9.243 2.764 1.00 1.30 H new ATOM 0 HD11 LEU A 111 10.127 -10.455 3.937 1.00 1.89 H new ATOM 0 HD12 LEU A 111 9.386 -11.443 2.655 1.00 1.89 H new ATOM 0 HD13 LEU A 111 10.979 -10.693 2.393 1.00 1.89 H new ATOM 0 HD21 LEU A 111 10.344 -8.005 3.668 1.00 1.91 H new ATOM 0 HD22 LEU A 111 11.143 -8.175 2.087 1.00 1.91 H new ATOM 0 HD23 LEU A 111 9.672 -7.185 2.239 1.00 1.91 H new ATOM 1749 N LYS A 112 6.627 -11.890 1.487 1.00 0.81 N ATOM 1750 CA LYS A 112 5.349 -12.152 2.159 1.00 1.02 C ATOM 1751 C LYS A 112 5.320 -11.601 3.601 1.00 1.03 C ATOM 1752 O LYS A 112 6.252 -11.820 4.373 1.00 1.15 O ATOM 1753 CB LYS A 112 5.036 -13.661 2.112 1.00 1.40 C ATOM 1754 CG LYS A 112 3.601 -13.949 2.598 1.00 1.47 C ATOM 1755 CD LYS A 112 3.150 -15.403 2.371 1.00 1.87 C ATOM 1756 CE LYS A 112 2.945 -15.785 0.895 1.00 1.54 C ATOM 1757 NZ LYS A 112 1.852 -15.004 0.278 1.00 2.17 N ATOM 0 H LYS A 112 7.267 -12.684 1.505 1.00 0.81 H new ATOM 0 HA LYS A 112 4.566 -11.617 1.621 1.00 1.02 H new ATOM 0 HB2 LYS A 112 5.158 -14.029 1.093 1.00 1.40 H new ATOM 0 HB3 LYS A 112 5.749 -14.202 2.734 1.00 1.40 H new ATOM 0 HG2 LYS A 112 3.534 -13.719 3.661 1.00 1.47 H new ATOM 0 HG3 LYS A 112 2.912 -13.280 2.083 1.00 1.47 H new ATOM 0 HD2 LYS A 112 3.892 -16.072 2.807 1.00 1.87 H new ATOM 0 HD3 LYS A 112 2.217 -15.569 2.909 1.00 1.87 H new ATOM 0 HE2 LYS A 112 3.870 -15.617 0.343 1.00 1.54 H new ATOM 0 HE3 LYS A 112 2.719 -16.849 0.822 1.00 1.54 H new ATOM 0 HZ1 LYS A 112 1.708 -15.323 -0.701 1.00 2.17 H new ATOM 0 HZ2 LYS A 112 0.976 -15.144 0.821 1.00 2.17 H new ATOM 0 HZ3 LYS A 112 2.103 -13.995 0.280 1.00 2.17 H new ATOM 1771 N VAL A 113 4.224 -10.943 3.975 1.00 1.03 N ATOM 1772 CA VAL A 113 3.948 -10.334 5.290 1.00 1.02 C ATOM 1773 C VAL A 113 2.462 -10.456 5.652 1.00 0.90 C ATOM 1774 O VAL A 113 1.644 -10.691 4.767 1.00 0.91 O ATOM 1775 CB VAL A 113 4.369 -8.846 5.323 1.00 1.11 C ATOM 1776 CG1 VAL A 113 5.903 -8.747 5.375 1.00 2.02 C ATOM 1777 CG2 VAL A 113 3.792 -8.022 4.161 1.00 1.82 C ATOM 0 H VAL A 113 3.447 -10.808 3.328 1.00 1.03 H new ATOM 0 HA VAL A 113 4.539 -10.879 6.026 1.00 1.02 H new ATOM 0 HB VAL A 113 3.944 -8.407 6.226 1.00 1.11 H new ATOM 0 HG11 VAL A 113 6.199 -7.698 5.398 1.00 2.02 H new ATOM 0 HG12 VAL A 113 6.270 -9.248 6.271 1.00 2.02 H new ATOM 0 HG13 VAL A 113 6.329 -9.225 4.493 1.00 2.02 H new ATOM 0 HG21 VAL A 113 4.127 -6.988 4.246 1.00 1.82 H new ATOM 0 HG22 VAL A 113 4.136 -8.438 3.214 1.00 1.82 H new ATOM 0 HG23 VAL A 113 2.703 -8.054 4.197 1.00 1.82 H new ATOM 1787 N VAL A 114 2.109 -10.291 6.935 1.00 0.92 N ATOM 1788 CA VAL A 114 0.716 -10.370 7.416 1.00 0.84 C ATOM 1789 C VAL A 114 0.407 -9.171 8.314 1.00 0.95 C ATOM 1790 O VAL A 114 1.182 -8.838 9.208 1.00 1.32 O ATOM 1791 CB VAL A 114 0.417 -11.695 8.161 1.00 1.04 C ATOM 1792 CG1 VAL A 114 -1.070 -11.800 8.543 1.00 1.64 C ATOM 1793 CG2 VAL A 114 0.791 -12.927 7.317 1.00 1.50 C ATOM 0 H VAL A 114 2.784 -10.098 7.675 1.00 0.92 H new ATOM 0 HA VAL A 114 0.068 -10.349 6.540 1.00 0.84 H new ATOM 0 HB VAL A 114 1.029 -11.680 9.063 1.00 1.04 H new ATOM 0 HG11 VAL A 114 -1.246 -12.741 9.064 1.00 1.64 H new ATOM 0 HG12 VAL A 114 -1.338 -10.969 9.195 1.00 1.64 H new ATOM 0 HG13 VAL A 114 -1.681 -11.765 7.641 1.00 1.64 H new ATOM 0 HG21 VAL A 114 0.565 -13.834 7.877 1.00 1.50 H new ATOM 0 HG22 VAL A 114 0.218 -12.921 6.390 1.00 1.50 H new ATOM 0 HG23 VAL A 114 1.856 -12.900 7.085 1.00 1.50 H new ATOM 1803 N LEU A 115 -0.736 -8.530 8.057 1.00 0.80 N ATOM 1804 CA LEU A 115 -1.211 -7.311 8.713 1.00 0.94 C ATOM 1805 C LEU A 115 -2.744 -7.381 8.923 1.00 0.71 C ATOM 1806 O LEU A 115 -3.435 -8.080 8.169 1.00 0.75 O ATOM 1807 CB LEU A 115 -0.781 -6.057 7.922 1.00 1.35 C ATOM 1808 CG LEU A 115 -0.785 -6.110 6.377 1.00 0.98 C ATOM 1809 CD1 LEU A 115 -0.878 -4.673 5.849 1.00 1.82 C ATOM 1810 CD2 LEU A 115 0.500 -6.735 5.800 1.00 1.85 C ATOM 0 H LEU A 115 -1.389 -8.866 7.349 1.00 0.80 H new ATOM 0 HA LEU A 115 -0.750 -7.232 9.697 1.00 0.94 H new ATOM 0 HB2 LEU A 115 -1.432 -5.237 8.225 1.00 1.35 H new ATOM 0 HB3 LEU A 115 0.229 -5.797 8.240 1.00 1.35 H new ATOM 0 HG LEU A 115 -1.630 -6.726 6.071 1.00 0.98 H new ATOM 0 HD11 LEU A 115 -0.882 -4.685 4.759 1.00 1.82 H new ATOM 0 HD12 LEU A 115 -1.797 -4.211 6.210 1.00 1.82 H new ATOM 0 HD13 LEU A 115 -0.021 -4.100 6.202 1.00 1.82 H new ATOM 0 HD21 LEU A 115 0.442 -6.746 4.712 1.00 1.85 H new ATOM 0 HD22 LEU A 115 1.363 -6.146 6.111 1.00 1.85 H new ATOM 0 HD23 LEU A 115 0.605 -7.755 6.168 1.00 1.85 H new ATOM 1822 N PRO A 116 -3.287 -6.675 9.932 1.00 0.60 N ATOM 1823 CA PRO A 116 -4.722 -6.590 10.179 1.00 0.57 C ATOM 1824 C PRO A 116 -5.443 -5.728 9.132 1.00 0.61 C ATOM 1825 O PRO A 116 -4.818 -4.970 8.387 1.00 0.74 O ATOM 1826 CB PRO A 116 -4.861 -5.991 11.583 1.00 0.65 C ATOM 1827 CG PRO A 116 -3.603 -5.132 11.713 1.00 0.60 C ATOM 1828 CD PRO A 116 -2.562 -5.967 10.979 1.00 0.63 C ATOM 0 HA PRO A 116 -5.188 -7.573 10.108 1.00 0.57 H new ATOM 0 HB2 PRO A 116 -5.769 -5.396 11.680 1.00 0.65 H new ATOM 0 HB3 PRO A 116 -4.903 -6.764 12.350 1.00 0.65 H new ATOM 0 HG2 PRO A 116 -3.732 -4.150 11.257 1.00 0.60 H new ATOM 0 HG3 PRO A 116 -3.330 -4.966 12.755 1.00 0.60 H new ATOM 0 HD2 PRO A 116 -1.782 -5.335 10.555 1.00 0.63 H new ATOM 0 HD3 PRO A 116 -2.073 -6.666 11.657 1.00 0.63 H new ATOM 1836 N VAL A 117 -6.772 -5.808 9.118 1.00 0.63 N ATOM 1837 CA VAL A 117 -7.660 -4.893 8.385 1.00 0.73 C ATOM 1838 C VAL A 117 -8.306 -3.910 9.373 1.00 0.83 C ATOM 1839 O VAL A 117 -8.773 -4.355 10.422 1.00 0.88 O ATOM 1840 CB VAL A 117 -8.772 -5.672 7.662 1.00 0.76 C ATOM 1841 CG1 VAL A 117 -9.667 -4.761 6.804 1.00 0.89 C ATOM 1842 CG2 VAL A 117 -8.217 -6.779 6.759 1.00 0.68 C ATOM 0 H VAL A 117 -7.280 -6.530 9.629 1.00 0.63 H new ATOM 0 HA VAL A 117 -7.066 -4.355 7.646 1.00 0.73 H new ATOM 0 HB VAL A 117 -9.366 -6.116 8.461 1.00 0.76 H new ATOM 0 HG11 VAL A 117 -10.435 -5.361 6.316 1.00 0.89 H new ATOM 0 HG12 VAL A 117 -10.141 -4.013 7.440 1.00 0.89 H new ATOM 0 HG13 VAL A 117 -9.060 -4.263 6.048 1.00 0.89 H new ATOM 0 HG21 VAL A 117 -9.042 -7.299 6.272 1.00 0.68 H new ATOM 0 HG22 VAL A 117 -7.567 -6.340 6.002 1.00 0.68 H new ATOM 0 HG23 VAL A 117 -7.646 -7.487 7.360 1.00 0.68 H new ATOM 1852 N GLU A 118 -8.356 -2.610 9.044 1.00 0.95 N ATOM 1853 CA GLU A 118 -8.960 -1.584 9.899 1.00 0.97 C ATOM 1854 C GLU A 118 -9.570 -0.375 9.172 1.00 1.21 C ATOM 1855 O GLU A 118 -9.379 -0.161 7.967 1.00 1.48 O ATOM 1856 CB GLU A 118 -7.978 -1.126 11.004 1.00 0.95 C ATOM 1857 CG GLU A 118 -8.206 -1.837 12.342 1.00 1.68 C ATOM 1858 CD GLU A 118 -9.679 -1.843 12.763 1.00 3.02 C ATOM 1859 OE1 GLU A 118 -10.361 -0.811 12.545 1.00 3.53 O ATOM 1860 OE2 GLU A 118 -10.147 -2.914 13.200 1.00 4.30 O ATOM 0 H GLU A 118 -7.976 -2.242 8.172 1.00 0.95 H new ATOM 0 HA GLU A 118 -9.815 -2.088 10.350 1.00 0.97 H new ATOM 0 HB2 GLU A 118 -6.956 -1.308 10.672 1.00 0.95 H new ATOM 0 HB3 GLU A 118 -8.079 -0.050 11.149 1.00 0.95 H new ATOM 0 HG2 GLU A 118 -7.849 -2.864 12.269 1.00 1.68 H new ATOM 0 HG3 GLU A 118 -7.613 -1.348 13.115 1.00 1.68 H new ATOM 1867 N ALA A 119 -10.368 0.374 9.938 1.00 1.30 N ATOM 1868 CA ALA A 119 -11.398 1.302 9.486 1.00 1.43 C ATOM 1869 C ALA A 119 -10.934 2.709 9.064 1.00 1.87 C ATOM 1870 O ALA A 119 -10.011 3.297 9.624 1.00 2.61 O ATOM 1871 CB ALA A 119 -12.445 1.389 10.603 1.00 1.75 C ATOM 0 H ALA A 119 -10.304 0.343 10.956 1.00 1.30 H new ATOM 0 HA ALA A 119 -11.793 0.896 8.555 1.00 1.43 H new ATOM 0 HB1 ALA A 119 -13.238 2.076 10.306 1.00 1.75 H new ATOM 0 HB2 ALA A 119 -12.869 0.401 10.782 1.00 1.75 H new ATOM 0 HB3 ALA A 119 -11.974 1.752 11.516 1.00 1.75 H new ATOM 1877 N ARG A 120 -11.707 3.251 8.111 1.00 2.12 N ATOM 1878 CA ARG A 120 -11.918 4.633 7.617 1.00 2.77 C ATOM 1879 C ARG A 120 -12.502 4.559 6.208 1.00 3.57 C ATOM 1880 O ARG A 120 -12.626 3.437 5.686 1.00 4.30 O ATOM 1881 CB ARG A 120 -10.676 5.541 7.740 1.00 3.32 C ATOM 1882 CG ARG A 120 -9.492 5.109 6.861 1.00 4.18 C ATOM 1883 CD ARG A 120 -9.478 5.727 5.453 1.00 5.69 C ATOM 1884 NE ARG A 120 -9.270 7.190 5.458 1.00 6.50 N ATOM 1885 CZ ARG A 120 -10.177 8.134 5.240 1.00 7.38 C ATOM 1886 NH1 ARG A 120 -11.447 7.902 5.081 1.00 7.69 N ATOM 1887 NH2 ARG A 120 -9.808 9.380 5.170 1.00 8.48 N ATOM 1888 OXT ARG A 120 -12.765 5.603 5.586 1.00 4.19 O ATOM 0 H ARG A 120 -12.304 2.622 7.574 1.00 2.12 H new ATOM 0 HA ARG A 120 -12.637 5.133 8.266 1.00 2.77 H new ATOM 0 HB2 ARG A 120 -10.957 6.560 7.476 1.00 3.32 H new ATOM 0 HB3 ARG A 120 -10.354 5.559 8.781 1.00 3.32 H new ATOM 0 HG2 ARG A 120 -8.565 5.374 7.369 1.00 4.18 H new ATOM 0 HG3 ARG A 120 -9.504 4.023 6.766 1.00 4.18 H new ATOM 0 HD2 ARG A 120 -8.689 5.257 4.865 1.00 5.69 H new ATOM 0 HD3 ARG A 120 -10.422 5.503 4.956 1.00 5.69 H new ATOM 0 HE ARG A 120 -8.321 7.511 5.651 1.00 6.50 H new ATOM 0 HH11 ARG A 120 -11.800 6.946 5.121 1.00 7.69 H new ATOM 0 HH12 ARG A 120 -12.090 8.676 4.917 1.00 7.69 H new ATOM 0 HH21 ARG A 120 -8.825 9.628 5.283 1.00 8.48 H new ATOM 0 HH22 ARG A 120 -10.502 10.109 5.003 1.00 8.48 H new TER 1902 ARG A 120 HETATM 1903 CU CU1 A 121 -6.086 4.781 -4.383 1.00 0.52 CU