USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 730 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 HIS : no HD1:sc= -0.35 X(o=-1.2,f=-0.8) USER MOD Set 1.2: A 90 TYR OH : rot 180:sc= -0.877 USER MOD Set 2.1: A 20 TYR OH : rot 38:sc= 0.112 USER MOD Set 2.2: A 81 THR OG1 : rot 38:sc= 0.298 USER MOD Single : A 1 GLY N :NH3+ 133:sc= 0.0142 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 166:sc= -0.0611 (180deg=-0.431) USER MOD Single : A 11 SER OG : rot 175:sc= -0.603 USER MOD Single : A 14 MET CE :methyl 171:sc= 0 (180deg=-0.0392) USER MOD Single : A 21 MET CE :methyl -142:sc= -3.32 (180deg=-6.12!) USER MOD Single : A 24 ASN : amide:sc= -0.269 K(o=-0.27,f=-1.3) USER MOD Single : A 27 SER OG : rot 110:sc= 1.14 USER MOD Single : A 32 THR OG1 : rot 72:sc= 1.11 USER MOD Single : A 33 MET CE :methyl -124:sc= -5.03! (180deg=-9.54!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000569) USER MOD Single : A 45 ASN : amide:sc= -0.847 K(o=-0.85,f=-2.9!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.0892 USER MOD Single : A 55 CYS SG : rot 86:sc= -2.05 USER MOD Single : A 64 THR OG1 : rot 83:sc= 0.856 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 106:sc= -0.52 USER MOD Single : A 71 LYS NZ :NH3+ -178:sc= -2.55! (180deg=-2.7!) USER MOD Single : A 73 ASN : amide:sc= -0.0141 X(o=-0.014,f=-0.014) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0383) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.328 X(o=-0.33,f=0.14) USER MOD Single : A 92 THR OG1 : rot -56:sc= 0.604 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 15:sc= 0.0965 USER MOD Single : A 98 SER OG : rot 33:sc= 0.511 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.586 2.240 -14.430 1.00 0.00 N ATOM 2 CA GLY A 1 19.015 1.142 -13.673 1.00 0.00 C ATOM 3 C GLY A 1 19.842 -0.124 -13.773 1.00 0.00 C ATOM 4 O GLY A 1 20.420 -0.415 -14.820 1.00 0.00 O ATOM 0 H1 GLY A 1 18.841 2.697 -14.994 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.000 2.935 -13.776 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.327 1.877 -15.063 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.928 1.433 -12.626 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.006 0.942 -14.034 1.00 0.00 H new ATOM 8 N SER A 2 19.900 -0.879 -12.680 1.00 0.00 N ATOM 9 CA SER A 2 20.668 -2.119 -12.647 1.00 0.00 C ATOM 10 C SER A 2 19.744 -3.326 -12.520 1.00 0.00 C ATOM 11 O SER A 2 19.908 -4.324 -13.223 1.00 0.00 O ATOM 12 CB SER A 2 21.661 -2.098 -11.484 1.00 0.00 C ATOM 13 OG SER A 2 21.019 -1.745 -10.271 1.00 0.00 O ATOM 0 H SER A 2 19.425 -0.654 -11.806 1.00 0.00 H new ATOM 0 HA SER A 2 21.219 -2.202 -13.584 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.126 -3.079 -11.381 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.460 -1.387 -11.697 1.00 0.00 H new ATOM 0 HG SER A 2 21.675 -1.740 -9.543 1.00 0.00 H new ATOM 19 N SER A 3 18.772 -3.228 -11.619 1.00 0.00 N ATOM 20 CA SER A 3 17.824 -4.313 -11.396 1.00 0.00 C ATOM 21 C SER A 3 16.976 -4.558 -12.640 1.00 0.00 C ATOM 22 O SER A 3 16.045 -3.808 -12.929 1.00 0.00 O ATOM 23 CB SER A 3 16.919 -3.991 -10.204 1.00 0.00 C ATOM 24 OG SER A 3 17.648 -4.014 -8.989 1.00 0.00 O ATOM 0 H SER A 3 18.620 -2.408 -11.031 1.00 0.00 H new ATOM 0 HA SER A 3 18.391 -5.219 -11.179 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.467 -3.009 -10.342 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.104 -4.713 -10.157 1.00 0.00 H new ATOM 0 HG SER A 3 17.048 -3.804 -8.243 1.00 0.00 H new ATOM 30 N GLY A 4 17.307 -5.616 -13.375 1.00 0.00 N ATOM 31 CA GLY A 4 16.568 -5.942 -14.580 1.00 0.00 C ATOM 32 C GLY A 4 16.518 -4.787 -15.561 1.00 0.00 C ATOM 33 O GLY A 4 17.478 -4.026 -15.683 1.00 0.00 O ATOM 0 H GLY A 4 18.074 -6.253 -13.157 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.028 -6.804 -15.062 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.552 -6.231 -14.312 1.00 0.00 H new ATOM 37 N SER A 5 15.397 -4.657 -16.263 1.00 0.00 N ATOM 38 CA SER A 5 15.228 -3.590 -17.242 1.00 0.00 C ATOM 39 C SER A 5 14.797 -2.293 -16.563 1.00 0.00 C ATOM 40 O SER A 5 14.033 -2.310 -15.598 1.00 0.00 O ATOM 41 CB SER A 5 14.196 -3.995 -18.296 1.00 0.00 C ATOM 42 OG SER A 5 14.799 -4.743 -19.338 1.00 0.00 O ATOM 0 H SER A 5 14.592 -5.277 -16.172 1.00 0.00 H new ATOM 0 HA SER A 5 16.188 -3.422 -17.730 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.407 -4.585 -17.830 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.725 -3.103 -18.710 1.00 0.00 H new ATOM 0 HG SER A 5 14.119 -4.992 -19.998 1.00 0.00 H new ATOM 48 N SER A 6 15.291 -1.171 -17.076 1.00 0.00 N ATOM 49 CA SER A 6 14.961 0.135 -16.518 1.00 0.00 C ATOM 50 C SER A 6 13.659 0.665 -17.112 1.00 0.00 C ATOM 51 O SER A 6 13.378 0.472 -18.293 1.00 0.00 O ATOM 52 CB SER A 6 16.096 1.127 -16.780 1.00 0.00 C ATOM 53 OG SER A 6 15.927 2.308 -16.016 1.00 0.00 O ATOM 0 H SER A 6 15.921 -1.140 -17.877 1.00 0.00 H new ATOM 0 HA SER A 6 14.830 0.021 -15.442 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.052 0.664 -16.534 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.127 1.377 -17.840 1.00 0.00 H new ATOM 0 HG SER A 6 16.666 2.925 -16.200 1.00 0.00 H new ATOM 59 N GLY A 7 12.867 1.337 -16.281 1.00 0.00 N ATOM 60 CA GLY A 7 11.605 1.885 -16.740 1.00 0.00 C ATOM 61 C GLY A 7 10.476 1.642 -15.759 1.00 0.00 C ATOM 62 O GLY A 7 9.396 1.194 -16.143 1.00 0.00 O ATOM 0 H GLY A 7 13.078 1.511 -15.298 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.716 2.957 -16.903 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.348 1.441 -17.702 1.00 0.00 H new ATOM 66 N MET A 8 10.725 1.937 -14.487 1.00 0.00 N ATOM 67 CA MET A 8 9.720 1.746 -13.447 1.00 0.00 C ATOM 68 C MET A 8 8.807 2.964 -13.344 1.00 0.00 C ATOM 69 O MET A 8 8.473 3.409 -12.247 1.00 0.00 O ATOM 70 CB MET A 8 10.394 1.484 -12.099 1.00 0.00 C ATOM 71 CG MET A 8 9.526 0.699 -11.129 1.00 0.00 C ATOM 72 SD MET A 8 9.247 -1.000 -11.665 1.00 0.00 S ATOM 73 CE MET A 8 10.860 -1.718 -11.368 1.00 0.00 C ATOM 0 H MET A 8 11.614 2.309 -14.152 1.00 0.00 H new ATOM 0 HA MET A 8 9.114 0.881 -13.716 1.00 0.00 H new ATOM 0 HB2 MET A 8 11.323 0.939 -12.266 1.00 0.00 H new ATOM 0 HB3 MET A 8 10.662 2.438 -11.644 1.00 0.00 H new ATOM 0 HG2 MET A 8 9.999 0.693 -10.147 1.00 0.00 H new ATOM 0 HG3 MET A 8 8.566 1.203 -11.017 1.00 0.00 H new ATOM 0 HE1 MET A 8 10.788 -2.805 -11.411 1.00 0.00 H new ATOM 0 HE2 MET A 8 11.559 -1.370 -12.129 1.00 0.00 H new ATOM 0 HE3 MET A 8 11.217 -1.416 -10.383 1.00 0.00 H new ATOM 83 N ALA A 9 8.408 3.498 -14.494 1.00 0.00 N ATOM 84 CA ALA A 9 7.533 4.662 -14.533 1.00 0.00 C ATOM 85 C ALA A 9 6.067 4.250 -14.455 1.00 0.00 C ATOM 86 O ALA A 9 5.326 4.716 -13.589 1.00 0.00 O ATOM 87 CB ALA A 9 7.789 5.474 -15.794 1.00 0.00 C ATOM 0 H ALA A 9 8.677 3.142 -15.411 1.00 0.00 H new ATOM 0 HA ALA A 9 7.756 5.282 -13.664 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.128 6.341 -15.809 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.826 5.809 -15.807 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.596 4.855 -16.670 1.00 0.00 H new ATOM 93 N ALA A 10 5.654 3.375 -15.366 1.00 0.00 N ATOM 94 CA ALA A 10 4.276 2.899 -15.399 1.00 0.00 C ATOM 95 C ALA A 10 4.093 1.685 -14.494 1.00 0.00 C ATOM 96 O ALA A 10 3.064 1.012 -14.544 1.00 0.00 O ATOM 97 CB ALA A 10 3.869 2.563 -16.826 1.00 0.00 C ATOM 0 H ALA A 10 6.254 2.981 -16.091 1.00 0.00 H new ATOM 0 HA ALA A 10 3.632 3.696 -15.027 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.838 2.209 -16.837 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.953 3.454 -17.448 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.524 1.785 -17.217 1.00 0.00 H new ATOM 103 N SER A 11 5.097 1.411 -13.668 1.00 0.00 N ATOM 104 CA SER A 11 5.048 0.275 -12.755 1.00 0.00 C ATOM 105 C SER A 11 4.629 0.720 -11.357 1.00 0.00 C ATOM 106 O SER A 11 4.609 1.913 -11.052 1.00 0.00 O ATOM 107 CB SER A 11 6.411 -0.417 -12.695 1.00 0.00 C ATOM 108 OG SER A 11 6.629 -1.215 -13.846 1.00 0.00 O ATOM 0 H SER A 11 5.955 1.960 -13.612 1.00 0.00 H new ATOM 0 HA SER A 11 4.307 -0.430 -13.131 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.199 0.332 -12.613 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.468 -1.039 -11.801 1.00 0.00 H new ATOM 0 HG SER A 11 7.536 -1.585 -13.820 1.00 0.00 H new ATOM 114 N LEU A 12 4.293 -0.248 -10.511 1.00 0.00 N ATOM 115 CA LEU A 12 3.874 0.042 -9.145 1.00 0.00 C ATOM 116 C LEU A 12 4.595 -0.862 -8.150 1.00 0.00 C ATOM 117 O LEU A 12 4.995 -1.977 -8.487 1.00 0.00 O ATOM 118 CB LEU A 12 2.360 -0.135 -9.006 1.00 0.00 C ATOM 119 CG LEU A 12 1.495 0.796 -9.857 1.00 0.00 C ATOM 120 CD1 LEU A 12 0.131 0.173 -10.111 1.00 0.00 C ATOM 121 CD2 LEU A 12 1.348 2.151 -9.182 1.00 0.00 C ATOM 0 H LEU A 12 4.303 -1.240 -10.747 1.00 0.00 H new ATOM 0 HA LEU A 12 4.135 1.077 -8.924 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.110 -1.165 -9.261 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.092 0.008 -7.959 1.00 0.00 H new ATOM 0 HG LEU A 12 1.988 0.943 -10.818 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.471 0.850 -10.718 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.256 -0.773 -10.637 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.371 -0.004 -9.160 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.730 2.801 -9.801 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.877 2.023 -8.207 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.332 2.602 -9.053 1.00 0.00 H new ATOM 133 N TRP A 13 4.757 -0.375 -6.926 1.00 0.00 N ATOM 134 CA TRP A 13 5.429 -1.140 -5.881 1.00 0.00 C ATOM 135 C TRP A 13 4.425 -1.944 -5.064 1.00 0.00 C ATOM 136 O TRP A 13 3.367 -1.438 -4.690 1.00 0.00 O ATOM 137 CB TRP A 13 6.219 -0.205 -4.964 1.00 0.00 C ATOM 138 CG TRP A 13 6.570 -0.824 -3.645 1.00 0.00 C ATOM 139 CD1 TRP A 13 7.770 -1.371 -3.290 1.00 0.00 C ATOM 140 CD2 TRP A 13 5.712 -0.961 -2.507 1.00 0.00 C ATOM 141 NE1 TRP A 13 7.710 -1.840 -2.000 1.00 0.00 N ATOM 142 CE2 TRP A 13 6.458 -1.599 -1.497 1.00 0.00 C ATOM 143 CE3 TRP A 13 4.387 -0.604 -2.242 1.00 0.00 C ATOM 144 CZ2 TRP A 13 5.921 -1.889 -0.245 1.00 0.00 C ATOM 145 CZ3 TRP A 13 3.856 -0.892 -0.999 1.00 0.00 C ATOM 146 CH2 TRP A 13 4.622 -1.529 -0.013 1.00 0.00 C ATOM 0 H TRP A 13 4.433 0.546 -6.632 1.00 0.00 H new ATOM 0 HA TRP A 13 6.118 -1.835 -6.361 1.00 0.00 H new ATOM 0 HB2 TRP A 13 7.135 0.099 -5.470 1.00 0.00 H new ATOM 0 HB3 TRP A 13 5.636 0.699 -4.789 1.00 0.00 H new ATOM 0 HD1 TRP A 13 8.639 -1.427 -3.929 1.00 0.00 H new ATOM 0 HE1 TRP A 13 8.473 -2.294 -1.498 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.789 -0.112 -2.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.509 -2.381 0.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.833 -0.622 -0.784 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.178 -1.740 0.949 1.00 0.00 H new ATOM 157 N MET A 14 4.762 -3.200 -4.790 1.00 0.00 N ATOM 158 CA MET A 14 3.889 -4.075 -4.016 1.00 0.00 C ATOM 159 C MET A 14 4.679 -4.827 -2.950 1.00 0.00 C ATOM 160 O MET A 14 5.342 -5.821 -3.241 1.00 0.00 O ATOM 161 CB MET A 14 3.179 -5.068 -4.937 1.00 0.00 C ATOM 162 CG MET A 14 2.096 -5.876 -4.240 1.00 0.00 C ATOM 163 SD MET A 14 1.123 -6.869 -5.389 1.00 0.00 S ATOM 164 CE MET A 14 0.140 -7.840 -4.248 1.00 0.00 C ATOM 0 H MET A 14 5.634 -3.635 -5.093 1.00 0.00 H new ATOM 0 HA MET A 14 3.143 -3.455 -3.520 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.735 -4.524 -5.771 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.916 -5.751 -5.358 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.556 -6.530 -3.500 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.434 -5.199 -3.700 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.624 -8.387 -4.800 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.784 -8.546 -3.723 1.00 0.00 H new ATOM 0 HE3 MET A 14 -0.338 -7.178 -3.526 1.00 0.00 H new ATOM 174 N GLY A 15 4.604 -4.345 -1.713 1.00 0.00 N ATOM 175 CA GLY A 15 5.317 -4.984 -0.623 1.00 0.00 C ATOM 176 C GLY A 15 4.411 -5.836 0.243 1.00 0.00 C ATOM 177 O GLY A 15 3.318 -6.217 -0.177 1.00 0.00 O ATOM 0 H GLY A 15 4.062 -3.523 -1.447 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.115 -5.605 -1.030 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.791 -4.220 -0.006 1.00 0.00 H new ATOM 181 N ASP A 16 4.865 -6.137 1.454 1.00 0.00 N ATOM 182 CA ASP A 16 4.087 -6.951 2.382 1.00 0.00 C ATOM 183 C ASP A 16 3.628 -8.245 1.717 1.00 0.00 C ATOM 184 O ASP A 16 2.465 -8.635 1.830 1.00 0.00 O ATOM 185 CB ASP A 16 2.876 -6.166 2.890 1.00 0.00 C ATOM 186 CG ASP A 16 2.251 -6.798 4.118 1.00 0.00 C ATOM 187 OD1 ASP A 16 2.975 -7.003 5.114 1.00 0.00 O ATOM 188 OD2 ASP A 16 1.036 -7.086 4.083 1.00 0.00 O ATOM 0 H ASP A 16 5.768 -5.830 1.817 1.00 0.00 H new ATOM 0 HA ASP A 16 4.726 -7.206 3.228 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.180 -5.146 3.125 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.130 -6.102 2.098 1.00 0.00 H new ATOM 193 N LEU A 17 4.547 -8.905 1.022 1.00 0.00 N ATOM 194 CA LEU A 17 4.237 -10.155 0.337 1.00 0.00 C ATOM 195 C LEU A 17 4.733 -11.354 1.140 1.00 0.00 C ATOM 196 O LEU A 17 5.618 -11.223 1.984 1.00 0.00 O ATOM 197 CB LEU A 17 4.866 -10.165 -1.057 1.00 0.00 C ATOM 198 CG LEU A 17 4.713 -8.880 -1.872 1.00 0.00 C ATOM 199 CD1 LEU A 17 5.622 -8.910 -3.092 1.00 0.00 C ATOM 200 CD2 LEU A 17 3.263 -8.683 -2.290 1.00 0.00 C ATOM 0 H LEU A 17 5.513 -8.596 0.918 1.00 0.00 H new ATOM 0 HA LEU A 17 3.154 -10.229 0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.929 -10.381 -0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.429 -10.986 -1.625 1.00 0.00 H new ATOM 0 HG LEU A 17 5.007 -8.038 -1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.500 -7.988 -3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.659 -9.003 -2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.359 -9.761 -3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.173 -7.764 -2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.942 -9.528 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.634 -8.616 -1.402 1.00 0.00 H new ATOM 212 N GLU A 18 4.157 -12.520 0.868 1.00 0.00 N ATOM 213 CA GLU A 18 4.542 -13.742 1.565 1.00 0.00 C ATOM 214 C GLU A 18 5.765 -14.379 0.912 1.00 0.00 C ATOM 215 O GLU A 18 6.077 -14.132 -0.254 1.00 0.00 O ATOM 216 CB GLU A 18 3.380 -14.738 1.576 1.00 0.00 C ATOM 217 CG GLU A 18 2.391 -14.508 2.707 1.00 0.00 C ATOM 218 CD GLU A 18 2.920 -14.978 4.048 1.00 0.00 C ATOM 219 OE1 GLU A 18 3.976 -14.472 4.481 1.00 0.00 O ATOM 220 OE2 GLU A 18 2.277 -15.853 4.664 1.00 0.00 O ATOM 0 H GLU A 18 3.423 -12.645 0.171 1.00 0.00 H new ATOM 0 HA GLU A 18 4.795 -13.479 2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.851 -14.677 0.625 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.780 -15.749 1.654 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.153 -13.446 2.766 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.461 -15.031 2.484 1.00 0.00 H new ATOM 227 N PRO A 19 6.476 -15.218 1.679 1.00 0.00 N ATOM 228 CA PRO A 19 7.676 -15.907 1.197 1.00 0.00 C ATOM 229 C PRO A 19 7.353 -16.976 0.158 1.00 0.00 C ATOM 230 O PRO A 19 8.253 -17.592 -0.413 1.00 0.00 O ATOM 231 CB PRO A 19 8.250 -16.549 2.463 1.00 0.00 C ATOM 232 CG PRO A 19 7.077 -16.716 3.367 1.00 0.00 C ATOM 233 CD PRO A 19 6.162 -15.559 3.077 1.00 0.00 C ATOM 0 HA PRO A 19 8.365 -15.225 0.699 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.720 -17.507 2.243 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.013 -15.917 2.917 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.575 -17.666 3.183 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.387 -16.716 4.412 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.114 -15.835 3.198 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.350 -14.720 3.747 1.00 0.00 H new ATOM 241 N TYR A 20 6.065 -17.189 -0.083 1.00 0.00 N ATOM 242 CA TYR A 20 5.623 -18.185 -1.052 1.00 0.00 C ATOM 243 C TYR A 20 4.857 -17.529 -2.197 1.00 0.00 C ATOM 244 O TYR A 20 3.944 -18.123 -2.768 1.00 0.00 O ATOM 245 CB TYR A 20 4.744 -19.235 -0.371 1.00 0.00 C ATOM 246 CG TYR A 20 3.272 -18.889 -0.378 1.00 0.00 C ATOM 247 CD1 TYR A 20 2.847 -17.573 -0.245 1.00 0.00 C ATOM 248 CD2 TYR A 20 2.306 -19.878 -0.516 1.00 0.00 C ATOM 249 CE1 TYR A 20 1.503 -17.252 -0.250 1.00 0.00 C ATOM 250 CE2 TYR A 20 0.960 -19.567 -0.524 1.00 0.00 C ATOM 251 CZ TYR A 20 0.564 -18.252 -0.390 1.00 0.00 C ATOM 252 OH TYR A 20 -0.776 -17.938 -0.396 1.00 0.00 O ATOM 0 H TYR A 20 5.308 -16.685 0.379 1.00 0.00 H new ATOM 0 HA TYR A 20 6.507 -18.672 -1.463 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.886 -20.194 -0.869 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.074 -19.360 0.660 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.580 -16.787 -0.136 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.613 -20.908 -0.619 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.190 -16.224 -0.145 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.222 -20.348 -0.634 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.912 -17.096 -0.878 1.00 0.00 H new ATOM 262 N MET A 21 5.238 -16.299 -2.526 1.00 0.00 N ATOM 263 CA MET A 21 4.588 -15.561 -3.603 1.00 0.00 C ATOM 264 C MET A 21 5.488 -15.491 -4.833 1.00 0.00 C ATOM 265 O MET A 21 6.654 -15.106 -4.740 1.00 0.00 O ATOM 266 CB MET A 21 4.229 -14.148 -3.139 1.00 0.00 C ATOM 267 CG MET A 21 3.231 -14.121 -1.993 1.00 0.00 C ATOM 268 SD MET A 21 2.193 -12.647 -2.010 1.00 0.00 S ATOM 269 CE MET A 21 1.011 -13.050 -0.726 1.00 0.00 C ATOM 0 H MET A 21 5.993 -15.793 -2.063 1.00 0.00 H new ATOM 0 HA MET A 21 3.674 -16.090 -3.872 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.139 -13.634 -2.830 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.818 -13.591 -3.981 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.598 -15.007 -2.047 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.769 -14.171 -1.046 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.023 -12.693 -1.016 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.980 -14.131 -0.587 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.310 -12.572 0.207 1.00 0.00 H new ATOM 279 N ASP A 22 4.940 -15.865 -5.984 1.00 0.00 N ATOM 280 CA ASP A 22 5.694 -15.844 -7.232 1.00 0.00 C ATOM 281 C ASP A 22 4.955 -15.041 -8.299 1.00 0.00 C ATOM 282 O ASP A 22 3.762 -14.770 -8.169 1.00 0.00 O ATOM 283 CB ASP A 22 5.940 -17.270 -7.729 1.00 0.00 C ATOM 284 CG ASP A 22 6.280 -18.224 -6.601 1.00 0.00 C ATOM 285 OD1 ASP A 22 7.201 -17.912 -5.816 1.00 0.00 O ATOM 286 OD2 ASP A 22 5.626 -19.283 -6.503 1.00 0.00 O ATOM 0 H ASP A 22 3.977 -16.186 -6.079 1.00 0.00 H new ATOM 0 HA ASP A 22 6.654 -15.364 -7.040 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.052 -17.629 -8.250 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.754 -17.264 -8.454 1.00 0.00 H new ATOM 291 N GLU A 23 5.674 -14.665 -9.352 1.00 0.00 N ATOM 292 CA GLU A 23 5.086 -13.891 -10.440 1.00 0.00 C ATOM 293 C GLU A 23 3.668 -14.368 -10.742 1.00 0.00 C ATOM 294 O GLU A 23 2.785 -13.567 -11.047 1.00 0.00 O ATOM 295 CB GLU A 23 5.951 -14.000 -11.697 1.00 0.00 C ATOM 296 CG GLU A 23 7.312 -13.339 -11.559 1.00 0.00 C ATOM 297 CD GLU A 23 8.189 -13.549 -12.778 1.00 0.00 C ATOM 298 OE1 GLU A 23 7.639 -13.632 -13.896 1.00 0.00 O ATOM 299 OE2 GLU A 23 9.424 -13.630 -12.614 1.00 0.00 O ATOM 0 H GLU A 23 6.663 -14.883 -9.475 1.00 0.00 H new ATOM 0 HA GLU A 23 5.041 -12.848 -10.128 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.091 -15.053 -11.941 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.420 -13.547 -12.534 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.177 -12.270 -11.393 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.818 -13.737 -10.679 1.00 0.00 H new ATOM 306 N ASN A 24 3.459 -15.677 -10.654 1.00 0.00 N ATOM 307 CA ASN A 24 2.149 -16.261 -10.919 1.00 0.00 C ATOM 308 C ASN A 24 1.138 -15.834 -9.859 1.00 0.00 C ATOM 309 O ASN A 24 -0.008 -15.511 -10.173 1.00 0.00 O ATOM 310 CB ASN A 24 2.247 -17.788 -10.960 1.00 0.00 C ATOM 311 CG ASN A 24 3.448 -18.269 -11.751 1.00 0.00 C ATOM 312 OD1 ASN A 24 3.980 -17.547 -12.594 1.00 0.00 O ATOM 313 ND2 ASN A 24 3.881 -19.495 -11.481 1.00 0.00 N ATOM 0 H ASN A 24 4.179 -16.354 -10.401 1.00 0.00 H new ATOM 0 HA ASN A 24 1.807 -15.899 -11.889 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.308 -18.173 -9.942 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.338 -18.196 -11.401 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.686 -19.873 -11.981 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.409 -20.058 -10.774 1.00 0.00 H new ATOM 320 N PHE A 25 1.571 -15.833 -8.603 1.00 0.00 N ATOM 321 CA PHE A 25 0.705 -15.446 -7.496 1.00 0.00 C ATOM 322 C PHE A 25 0.324 -13.971 -7.594 1.00 0.00 C ATOM 323 O PHE A 25 -0.856 -13.628 -7.672 1.00 0.00 O ATOM 324 CB PHE A 25 1.397 -15.718 -6.159 1.00 0.00 C ATOM 325 CG PHE A 25 0.555 -15.367 -4.965 1.00 0.00 C ATOM 326 CD1 PHE A 25 0.488 -14.060 -4.509 1.00 0.00 C ATOM 327 CD2 PHE A 25 -0.168 -16.343 -4.300 1.00 0.00 C ATOM 328 CE1 PHE A 25 -0.286 -13.734 -3.411 1.00 0.00 C ATOM 329 CE2 PHE A 25 -0.944 -16.023 -3.202 1.00 0.00 C ATOM 330 CZ PHE A 25 -1.002 -14.717 -2.756 1.00 0.00 C ATOM 0 H PHE A 25 2.517 -16.096 -8.326 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.205 -16.043 -7.554 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.666 -16.773 -6.106 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.326 -15.150 -6.118 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.047 -13.288 -5.017 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.125 -17.366 -4.643 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.331 -12.712 -3.066 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.504 -16.793 -2.693 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.606 -14.465 -1.897 1.00 0.00 H new ATOM 340 N ILE A 26 1.331 -13.105 -7.587 1.00 0.00 N ATOM 341 CA ILE A 26 1.103 -11.668 -7.676 1.00 0.00 C ATOM 342 C ILE A 26 0.147 -11.332 -8.815 1.00 0.00 C ATOM 343 O ILE A 26 -0.858 -10.649 -8.615 1.00 0.00 O ATOM 344 CB ILE A 26 2.422 -10.900 -7.885 1.00 0.00 C ATOM 345 CG1 ILE A 26 3.398 -11.200 -6.745 1.00 0.00 C ATOM 346 CG2 ILE A 26 2.155 -9.405 -7.981 1.00 0.00 C ATOM 347 CD1 ILE A 26 2.893 -10.764 -5.387 1.00 0.00 C ATOM 0 H ILE A 26 2.313 -13.373 -7.521 1.00 0.00 H new ATOM 0 HA ILE A 26 0.659 -11.361 -6.729 1.00 0.00 H new ATOM 0 HB ILE A 26 2.873 -11.230 -8.821 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.599 -12.271 -6.722 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.346 -10.702 -6.948 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.097 -8.876 -8.129 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.492 -9.207 -8.823 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.685 -9.059 -7.060 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.636 -11.008 -4.627 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.719 -9.688 -5.392 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.960 -11.282 -5.162 1.00 0.00 H new ATOM 359 N SER A 27 0.464 -11.819 -10.010 1.00 0.00 N ATOM 360 CA SER A 27 -0.366 -11.569 -11.183 1.00 0.00 C ATOM 361 C SER A 27 -1.811 -11.982 -10.923 1.00 0.00 C ATOM 362 O SER A 27 -2.748 -11.316 -11.365 1.00 0.00 O ATOM 363 CB SER A 27 0.183 -12.327 -12.393 1.00 0.00 C ATOM 364 OG SER A 27 1.522 -11.951 -12.666 1.00 0.00 O ATOM 0 H SER A 27 1.290 -12.389 -10.192 1.00 0.00 H new ATOM 0 HA SER A 27 -0.344 -10.500 -11.393 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.134 -13.400 -12.207 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.439 -12.126 -13.265 1.00 0.00 H new ATOM 0 HG SER A 27 2.121 -12.697 -12.455 1.00 0.00 H new ATOM 370 N ARG A 28 -1.985 -13.085 -10.203 1.00 0.00 N ATOM 371 CA ARG A 28 -3.315 -13.589 -9.884 1.00 0.00 C ATOM 372 C ARG A 28 -4.059 -12.620 -8.969 1.00 0.00 C ATOM 373 O ARG A 28 -5.255 -12.387 -9.136 1.00 0.00 O ATOM 374 CB ARG A 28 -3.219 -14.963 -9.219 1.00 0.00 C ATOM 375 CG ARG A 28 -3.108 -16.112 -10.207 1.00 0.00 C ATOM 376 CD ARG A 28 -3.529 -17.431 -9.578 1.00 0.00 C ATOM 377 NE ARG A 28 -4.979 -17.531 -9.434 1.00 0.00 N ATOM 378 CZ ARG A 28 -5.604 -18.637 -9.047 1.00 0.00 C ATOM 379 NH1 ARG A 28 -4.910 -19.731 -8.767 1.00 0.00 N ATOM 380 NH2 ARG A 28 -6.927 -18.650 -8.940 1.00 0.00 N ATOM 0 H ARG A 28 -1.221 -13.647 -9.829 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.872 -13.683 -10.816 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.352 -14.978 -8.559 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.098 -15.117 -8.594 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.732 -15.907 -11.077 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.081 -16.189 -10.563 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.168 -18.257 -10.191 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.060 -17.532 -8.599 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.542 -16.706 -9.642 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.893 -19.725 -8.849 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.393 -20.579 -8.470 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.464 -17.810 -9.155 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.406 -19.500 -8.643 1.00 0.00 H new ATOM 394 N ALA A 29 -3.340 -12.059 -8.002 1.00 0.00 N ATOM 395 CA ALA A 29 -3.931 -11.114 -7.061 1.00 0.00 C ATOM 396 C ALA A 29 -4.637 -9.979 -7.794 1.00 0.00 C ATOM 397 O ALA A 29 -5.767 -9.621 -7.462 1.00 0.00 O ATOM 398 CB ALA A 29 -2.863 -10.560 -6.130 1.00 0.00 C ATOM 0 H ALA A 29 -2.348 -12.242 -7.849 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.675 -11.646 -6.468 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.318 -9.856 -5.433 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.406 -11.378 -5.573 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.099 -10.048 -6.716 1.00 0.00 H new ATOM 404 N PHE A 30 -3.965 -9.416 -8.793 1.00 0.00 N ATOM 405 CA PHE A 30 -4.528 -8.320 -9.572 1.00 0.00 C ATOM 406 C PHE A 30 -5.683 -8.808 -10.441 1.00 0.00 C ATOM 407 O PHE A 30 -6.765 -8.222 -10.440 1.00 0.00 O ATOM 408 CB PHE A 30 -3.448 -7.682 -10.448 1.00 0.00 C ATOM 409 CG PHE A 30 -2.539 -6.752 -9.698 1.00 0.00 C ATOM 410 CD1 PHE A 30 -1.382 -7.225 -9.100 1.00 0.00 C ATOM 411 CD2 PHE A 30 -2.840 -5.404 -9.590 1.00 0.00 C ATOM 412 CE1 PHE A 30 -0.543 -6.372 -8.408 1.00 0.00 C ATOM 413 CE2 PHE A 30 -2.005 -4.546 -8.900 1.00 0.00 C ATOM 414 CZ PHE A 30 -0.855 -5.031 -8.308 1.00 0.00 C ATOM 0 H PHE A 30 -3.029 -9.701 -9.082 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.911 -7.572 -8.878 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.850 -8.470 -10.906 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.927 -7.133 -11.259 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.133 -8.273 -9.176 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.738 -5.019 -10.051 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.355 -6.754 -7.946 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.251 -3.497 -8.824 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.201 -4.362 -7.768 1.00 0.00 H new ATOM 424 N ALA A 31 -5.443 -9.884 -11.184 1.00 0.00 N ATOM 425 CA ALA A 31 -6.462 -10.452 -12.057 1.00 0.00 C ATOM 426 C ALA A 31 -7.758 -10.708 -11.295 1.00 0.00 C ATOM 427 O ALA A 31 -8.849 -10.429 -11.793 1.00 0.00 O ATOM 428 CB ALA A 31 -5.957 -11.740 -12.690 1.00 0.00 C ATOM 0 H ALA A 31 -4.551 -10.379 -11.198 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.672 -9.730 -12.846 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.729 -12.153 -13.340 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.063 -11.531 -13.277 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.717 -12.460 -11.908 1.00 0.00 H new ATOM 434 N THR A 32 -7.631 -11.241 -10.084 1.00 0.00 N ATOM 435 CA THR A 32 -8.792 -11.536 -9.254 1.00 0.00 C ATOM 436 C THR A 32 -9.564 -10.265 -8.916 1.00 0.00 C ATOM 437 O THR A 32 -10.790 -10.282 -8.812 1.00 0.00 O ATOM 438 CB THR A 32 -8.383 -12.238 -7.945 1.00 0.00 C ATOM 439 OG1 THR A 32 -7.666 -13.442 -8.238 1.00 0.00 O ATOM 440 CG2 THR A 32 -9.606 -12.562 -7.100 1.00 0.00 C ATOM 0 H THR A 32 -6.736 -11.477 -9.656 1.00 0.00 H new ATOM 0 HA THR A 32 -9.432 -12.204 -9.831 1.00 0.00 H new ATOM 0 HB THR A 32 -7.740 -11.562 -7.381 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.774 -13.218 -8.575 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.292 -13.057 -6.181 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.133 -11.640 -6.854 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.270 -13.221 -7.659 1.00 0.00 H new ATOM 448 N MET A 33 -8.838 -9.165 -8.746 1.00 0.00 N ATOM 449 CA MET A 33 -9.456 -7.885 -8.422 1.00 0.00 C ATOM 450 C MET A 33 -10.043 -7.233 -9.670 1.00 0.00 C ATOM 451 O MET A 33 -10.610 -6.143 -9.604 1.00 0.00 O ATOM 452 CB MET A 33 -8.432 -6.949 -7.776 1.00 0.00 C ATOM 453 CG MET A 33 -8.214 -7.215 -6.296 1.00 0.00 C ATOM 454 SD MET A 33 -9.726 -7.047 -5.329 1.00 0.00 S ATOM 455 CE MET A 33 -9.214 -5.845 -4.104 1.00 0.00 C ATOM 0 H MET A 33 -7.822 -9.134 -8.827 1.00 0.00 H new ATOM 0 HA MET A 33 -10.265 -8.069 -7.716 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.481 -7.049 -8.299 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.761 -5.918 -7.907 1.00 0.00 H new ATOM 0 HG2 MET A 33 -7.815 -8.221 -6.167 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.464 -6.523 -5.913 1.00 0.00 H new ATOM 0 HE1 MET A 33 -9.375 -6.252 -3.106 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.156 -5.618 -4.237 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.798 -4.933 -4.223 1.00 0.00 H new ATOM 465 N GLY A 34 -9.902 -7.908 -10.807 1.00 0.00 N ATOM 466 CA GLY A 34 -10.423 -7.378 -12.053 1.00 0.00 C ATOM 467 C GLY A 34 -9.457 -6.423 -12.726 1.00 0.00 C ATOM 468 O GLY A 34 -9.865 -5.391 -13.258 1.00 0.00 O ATOM 0 H GLY A 34 -9.436 -8.812 -10.887 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.645 -8.203 -12.730 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.364 -6.862 -11.860 1.00 0.00 H new ATOM 472 N GLU A 35 -8.174 -6.768 -12.701 1.00 0.00 N ATOM 473 CA GLU A 35 -7.147 -5.931 -13.312 1.00 0.00 C ATOM 474 C GLU A 35 -6.202 -6.768 -14.169 1.00 0.00 C ATOM 475 O GLU A 35 -5.887 -7.911 -13.832 1.00 0.00 O ATOM 476 CB GLU A 35 -6.354 -5.189 -12.234 1.00 0.00 C ATOM 477 CG GLU A 35 -7.069 -3.966 -11.686 1.00 0.00 C ATOM 478 CD GLU A 35 -7.477 -2.992 -12.775 1.00 0.00 C ATOM 479 OE1 GLU A 35 -6.580 -2.445 -13.449 1.00 0.00 O ATOM 480 OE2 GLU A 35 -8.695 -2.779 -12.953 1.00 0.00 O ATOM 0 H GLU A 35 -7.821 -7.620 -12.265 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.643 -5.203 -13.954 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.144 -5.875 -11.413 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.393 -4.883 -12.648 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.955 -4.284 -11.137 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.418 -3.458 -10.974 1.00 0.00 H new ATOM 487 N THR A 36 -5.751 -6.192 -15.279 1.00 0.00 N ATOM 488 CA THR A 36 -4.843 -6.884 -16.185 1.00 0.00 C ATOM 489 C THR A 36 -3.402 -6.438 -15.966 1.00 0.00 C ATOM 490 O THR A 36 -3.018 -5.334 -16.352 1.00 0.00 O ATOM 491 CB THR A 36 -5.226 -6.641 -17.657 1.00 0.00 C ATOM 492 OG1 THR A 36 -6.576 -7.059 -17.888 1.00 0.00 O ATOM 493 CG2 THR A 36 -4.291 -7.395 -18.591 1.00 0.00 C ATOM 0 H THR A 36 -6.000 -5.247 -15.572 1.00 0.00 H new ATOM 0 HA THR A 36 -4.928 -7.948 -15.966 1.00 0.00 H new ATOM 0 HB THR A 36 -5.136 -5.574 -17.861 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.812 -6.899 -18.826 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.581 -7.208 -19.625 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.268 -7.054 -18.434 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.354 -8.463 -18.384 1.00 0.00 H new ATOM 501 N VAL A 37 -2.607 -7.304 -15.345 1.00 0.00 N ATOM 502 CA VAL A 37 -1.207 -6.999 -15.077 1.00 0.00 C ATOM 503 C VAL A 37 -0.336 -7.306 -16.290 1.00 0.00 C ATOM 504 O VAL A 37 -0.544 -8.304 -16.980 1.00 0.00 O ATOM 505 CB VAL A 37 -0.682 -7.795 -13.867 1.00 0.00 C ATOM 506 CG1 VAL A 37 -0.334 -9.219 -14.274 1.00 0.00 C ATOM 507 CG2 VAL A 37 0.523 -7.097 -13.254 1.00 0.00 C ATOM 0 H VAL A 37 -2.909 -8.222 -15.018 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.151 -5.933 -14.854 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.469 -7.841 -13.114 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.035 -9.766 -13.406 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.224 -9.714 -14.663 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.436 -9.199 -15.045 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.881 -7.672 -12.400 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.316 -7.019 -13.998 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.236 -6.099 -12.924 1.00 0.00 H new ATOM 517 N MET A 38 0.641 -6.441 -16.544 1.00 0.00 N ATOM 518 CA MET A 38 1.545 -6.620 -17.673 1.00 0.00 C ATOM 519 C MET A 38 2.682 -7.572 -17.314 1.00 0.00 C ATOM 520 O MET A 38 2.883 -8.591 -17.973 1.00 0.00 O ATOM 521 CB MET A 38 2.115 -5.271 -18.117 1.00 0.00 C ATOM 522 CG MET A 38 1.083 -4.359 -18.761 1.00 0.00 C ATOM 523 SD MET A 38 0.454 -5.012 -20.320 1.00 0.00 S ATOM 524 CE MET A 38 -1.308 -5.013 -19.999 1.00 0.00 C ATOM 0 H MET A 38 0.826 -5.610 -15.983 1.00 0.00 H new ATOM 0 HA MET A 38 0.977 -7.055 -18.495 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.546 -4.766 -17.253 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.927 -5.443 -18.823 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.252 -4.213 -18.071 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.528 -3.379 -18.935 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.837 -5.392 -20.874 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.521 -5.651 -19.141 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.640 -3.997 -19.787 1.00 0.00 H new ATOM 534 N SER A 39 3.423 -7.231 -16.264 1.00 0.00 N ATOM 535 CA SER A 39 4.543 -8.053 -15.820 1.00 0.00 C ATOM 536 C SER A 39 4.778 -7.886 -14.321 1.00 0.00 C ATOM 537 O SER A 39 4.300 -6.931 -13.709 1.00 0.00 O ATOM 538 CB SER A 39 5.812 -7.684 -16.591 1.00 0.00 C ATOM 539 OG SER A 39 5.701 -8.046 -17.957 1.00 0.00 O ATOM 0 H SER A 39 3.268 -6.392 -15.705 1.00 0.00 H new ATOM 0 HA SER A 39 4.297 -9.096 -16.018 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.993 -6.612 -16.509 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.671 -8.187 -16.147 1.00 0.00 H new ATOM 0 HG SER A 39 6.523 -7.798 -18.429 1.00 0.00 H new ATOM 545 N VAL A 40 5.519 -8.822 -13.737 1.00 0.00 N ATOM 546 CA VAL A 40 5.820 -8.780 -12.311 1.00 0.00 C ATOM 547 C VAL A 40 7.224 -9.302 -12.030 1.00 0.00 C ATOM 548 O VAL A 40 7.637 -10.328 -12.572 1.00 0.00 O ATOM 549 CB VAL A 40 4.805 -9.605 -11.499 1.00 0.00 C ATOM 550 CG1 VAL A 40 4.440 -10.883 -12.240 1.00 0.00 C ATOM 551 CG2 VAL A 40 5.359 -9.921 -10.118 1.00 0.00 C ATOM 0 H VAL A 40 5.922 -9.619 -14.230 1.00 0.00 H new ATOM 0 HA VAL A 40 5.756 -7.736 -12.005 1.00 0.00 H new ATOM 0 HB VAL A 40 3.898 -9.013 -11.376 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.722 -11.453 -11.651 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.999 -10.631 -13.205 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.337 -11.482 -12.396 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.629 -10.505 -9.558 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.281 -10.494 -10.218 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.565 -8.992 -9.587 1.00 0.00 H new ATOM 561 N LYS A 41 7.955 -8.590 -11.179 1.00 0.00 N ATOM 562 CA LYS A 41 9.314 -8.982 -10.823 1.00 0.00 C ATOM 563 C LYS A 41 9.462 -9.117 -9.311 1.00 0.00 C ATOM 564 O LYS A 41 9.232 -8.162 -8.568 1.00 0.00 O ATOM 565 CB LYS A 41 10.318 -7.957 -11.355 1.00 0.00 C ATOM 566 CG LYS A 41 11.681 -8.548 -11.672 1.00 0.00 C ATOM 567 CD LYS A 41 12.705 -7.464 -11.963 1.00 0.00 C ATOM 568 CE LYS A 41 14.062 -8.058 -12.308 1.00 0.00 C ATOM 569 NZ LYS A 41 14.085 -8.627 -13.684 1.00 0.00 N ATOM 0 H LYS A 41 7.629 -7.738 -10.723 1.00 0.00 H new ATOM 0 HA LYS A 41 9.518 -9.951 -11.279 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.912 -7.497 -12.256 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.438 -7.163 -10.618 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.020 -9.154 -10.832 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.599 -9.213 -12.532 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.357 -6.845 -12.790 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.802 -6.811 -11.095 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.828 -7.288 -12.221 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.311 -8.838 -11.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.032 -9.007 -13.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.383 -9.391 -13.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.856 -7.881 -14.372 1.00 0.00 H new ATOM 583 N ILE A 42 9.850 -10.306 -8.863 1.00 0.00 N ATOM 584 CA ILE A 42 10.032 -10.564 -7.440 1.00 0.00 C ATOM 585 C ILE A 42 11.470 -10.293 -7.011 1.00 0.00 C ATOM 586 O ILE A 42 12.414 -10.810 -7.610 1.00 0.00 O ATOM 587 CB ILE A 42 9.664 -12.015 -7.079 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.302 -12.382 -7.672 1.00 0.00 C ATOM 589 CG2 ILE A 42 9.659 -12.200 -5.569 1.00 0.00 C ATOM 590 CD1 ILE A 42 7.135 -11.789 -6.915 1.00 0.00 C ATOM 0 H ILE A 42 10.044 -11.106 -9.465 1.00 0.00 H new ATOM 0 HA ILE A 42 9.364 -9.886 -6.909 1.00 0.00 H new ATOM 0 HB ILE A 42 10.415 -12.681 -7.504 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.263 -12.044 -8.708 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.202 -13.467 -7.687 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.397 -13.231 -5.330 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.649 -11.975 -5.172 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.927 -11.527 -5.122 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.202 -12.090 -7.391 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.149 -12.147 -5.886 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.211 -10.702 -6.922 1.00 0.00 H new ATOM 602 N ILE A 43 11.629 -9.482 -5.971 1.00 0.00 N ATOM 603 CA ILE A 43 12.952 -9.146 -5.461 1.00 0.00 C ATOM 604 C ILE A 43 13.439 -10.192 -4.463 1.00 0.00 C ATOM 605 O ILE A 43 12.956 -10.257 -3.332 1.00 0.00 O ATOM 606 CB ILE A 43 12.960 -7.763 -4.783 1.00 0.00 C ATOM 607 CG1 ILE A 43 12.493 -6.687 -5.765 1.00 0.00 C ATOM 608 CG2 ILE A 43 14.349 -7.440 -4.255 1.00 0.00 C ATOM 609 CD1 ILE A 43 12.912 -6.951 -7.194 1.00 0.00 C ATOM 0 H ILE A 43 10.858 -9.046 -5.465 1.00 0.00 H new ATOM 0 HA ILE A 43 13.624 -9.125 -6.319 1.00 0.00 H new ATOM 0 HB ILE A 43 12.269 -7.784 -3.940 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.406 -6.613 -5.721 1.00 0.00 H new ATOM 0 HG13 ILE A 43 12.891 -5.722 -5.451 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.338 -6.460 -3.779 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.646 -8.194 -3.526 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.060 -7.434 -5.081 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.547 -6.148 -7.834 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.000 -6.995 -7.252 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.492 -7.900 -7.527 1.00 0.00 H new ATOM 621 N ARG A 44 14.398 -11.007 -4.888 1.00 0.00 N ATOM 622 CA ARG A 44 14.951 -12.049 -4.032 1.00 0.00 C ATOM 623 C ARG A 44 16.470 -11.931 -3.943 1.00 0.00 C ATOM 624 O ARG A 44 17.118 -11.433 -4.862 1.00 0.00 O ATOM 625 CB ARG A 44 14.567 -13.432 -4.562 1.00 0.00 C ATOM 626 CG ARG A 44 13.087 -13.571 -4.883 1.00 0.00 C ATOM 627 CD ARG A 44 12.689 -15.029 -5.051 1.00 0.00 C ATOM 628 NE ARG A 44 11.269 -15.243 -4.785 1.00 0.00 N ATOM 629 CZ ARG A 44 10.673 -16.426 -4.880 1.00 0.00 C ATOM 630 NH1 ARG A 44 11.371 -17.497 -5.233 1.00 0.00 N ATOM 631 NH2 ARG A 44 9.377 -16.540 -4.621 1.00 0.00 N ATOM 0 H ARG A 44 14.809 -10.966 -5.821 1.00 0.00 H new ATOM 0 HA ARG A 44 14.534 -11.922 -3.033 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.147 -13.641 -5.461 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.842 -14.185 -3.823 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.496 -13.121 -4.085 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.858 -13.023 -5.797 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.921 -15.353 -6.066 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.281 -15.647 -4.376 1.00 0.00 H new ATOM 0 HE ARG A 44 10.704 -14.439 -4.511 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.368 -17.413 -5.432 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.911 -18.405 -5.305 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.837 -15.719 -4.349 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.920 -17.449 -4.694 1.00 0.00 H new ATOM 645 N ASN A 45 17.030 -12.392 -2.829 1.00 0.00 N ATOM 646 CA ASN A 45 18.472 -12.337 -2.620 1.00 0.00 C ATOM 647 C ASN A 45 19.180 -13.425 -3.421 1.00 0.00 C ATOM 648 O ASN A 45 18.572 -14.427 -3.799 1.00 0.00 O ATOM 649 CB ASN A 45 18.798 -12.490 -1.132 1.00 0.00 C ATOM 650 CG ASN A 45 20.086 -11.788 -0.748 1.00 0.00 C ATOM 651 OD1 ASN A 45 20.999 -12.401 -0.195 1.00 0.00 O ATOM 652 ND2 ASN A 45 20.164 -10.495 -1.040 1.00 0.00 N ATOM 0 H ASN A 45 16.507 -12.807 -2.058 1.00 0.00 H new ATOM 0 HA ASN A 45 18.828 -11.367 -2.966 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.977 -12.087 -0.539 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.878 -13.549 -0.887 1.00 0.00 H new ATOM 0 HD21 ASN A 45 21.006 -9.969 -0.805 1.00 0.00 H new ATOM 0 HD22 ASN A 45 19.382 -10.028 -1.499 1.00 0.00 H new ATOM 659 N ARG A 46 20.468 -13.221 -3.677 1.00 0.00 N ATOM 660 CA ARG A 46 21.259 -14.183 -4.434 1.00 0.00 C ATOM 661 C ARG A 46 22.012 -15.124 -3.498 1.00 0.00 C ATOM 662 O ARG A 46 22.598 -16.115 -3.936 1.00 0.00 O ATOM 663 CB ARG A 46 22.248 -13.457 -5.348 1.00 0.00 C ATOM 664 CG ARG A 46 21.580 -12.558 -6.376 1.00 0.00 C ATOM 665 CD ARG A 46 22.605 -11.776 -7.182 1.00 0.00 C ATOM 666 NE ARG A 46 23.094 -12.536 -8.329 1.00 0.00 N ATOM 667 CZ ARG A 46 24.195 -12.222 -9.004 1.00 0.00 C ATOM 668 NH1 ARG A 46 24.917 -11.169 -8.647 1.00 0.00 N ATOM 669 NH2 ARG A 46 24.575 -12.962 -10.037 1.00 0.00 N ATOM 0 H ARG A 46 20.986 -12.397 -3.371 1.00 0.00 H new ATOM 0 HA ARG A 46 20.577 -14.774 -5.045 1.00 0.00 H new ATOM 0 HB2 ARG A 46 22.922 -12.857 -4.736 1.00 0.00 H new ATOM 0 HB3 ARG A 46 22.860 -14.195 -5.866 1.00 0.00 H new ATOM 0 HG2 ARG A 46 20.971 -13.162 -7.048 1.00 0.00 H new ATOM 0 HG3 ARG A 46 20.906 -11.865 -5.872 1.00 0.00 H new ATOM 0 HD2 ARG A 46 22.159 -10.844 -7.528 1.00 0.00 H new ATOM 0 HD3 ARG A 46 23.444 -11.509 -6.540 1.00 0.00 H new ATOM 0 HE ARG A 46 22.561 -13.353 -8.629 1.00 0.00 H new ATOM 0 HH11 ARG A 46 24.628 -10.598 -7.853 1.00 0.00 H new ATOM 0 HH12 ARG A 46 25.762 -10.930 -9.166 1.00 0.00 H new ATOM 0 HH21 ARG A 46 24.022 -13.773 -10.314 1.00 0.00 H new ATOM 0 HH22 ARG A 46 25.420 -12.720 -10.554 1.00 0.00 H new ATOM 683 N LEU A 47 21.993 -14.807 -2.208 1.00 0.00 N ATOM 684 CA LEU A 47 22.674 -15.624 -1.210 1.00 0.00 C ATOM 685 C LEU A 47 21.689 -16.544 -0.495 1.00 0.00 C ATOM 686 O LEU A 47 21.910 -17.752 -0.397 1.00 0.00 O ATOM 687 CB LEU A 47 23.386 -14.731 -0.192 1.00 0.00 C ATOM 688 CG LEU A 47 24.755 -14.195 -0.611 1.00 0.00 C ATOM 689 CD1 LEU A 47 25.766 -15.328 -0.706 1.00 0.00 C ATOM 690 CD2 LEU A 47 24.655 -13.456 -1.937 1.00 0.00 C ATOM 0 H LEU A 47 21.514 -13.990 -1.829 1.00 0.00 H new ATOM 0 HA LEU A 47 23.412 -16.241 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 47 22.739 -13.883 0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.506 -15.294 0.734 1.00 0.00 H new ATOM 0 HG LEU A 47 25.097 -13.493 0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.734 -14.927 -1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 47 25.859 -15.815 0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 47 25.430 -16.055 -1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 47 25.639 -13.081 -2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 47 24.291 -14.137 -2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 47 23.963 -12.620 -1.836 1.00 0.00 H new ATOM 702 N THR A 48 20.600 -15.966 0.002 1.00 0.00 N ATOM 703 CA THR A 48 19.581 -16.733 0.706 1.00 0.00 C ATOM 704 C THR A 48 18.466 -17.164 -0.239 1.00 0.00 C ATOM 705 O THR A 48 17.903 -18.249 -0.096 1.00 0.00 O ATOM 706 CB THR A 48 18.971 -15.924 1.866 1.00 0.00 C ATOM 707 OG1 THR A 48 18.316 -14.756 1.358 1.00 0.00 O ATOM 708 CG2 THR A 48 20.043 -15.516 2.865 1.00 0.00 C ATOM 0 H THR A 48 20.401 -14.968 -0.070 1.00 0.00 H new ATOM 0 HA THR A 48 20.074 -17.618 1.109 1.00 0.00 H new ATOM 0 HB THR A 48 18.243 -16.555 2.376 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.929 -14.248 2.102 1.00 0.00 H new ATOM 0 HG21 THR A 48 19.588 -14.946 3.675 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.519 -16.408 3.272 1.00 0.00 H new ATOM 0 HG23 THR A 48 20.791 -14.901 2.365 1.00 0.00 H new ATOM 716 N GLY A 49 18.152 -16.308 -1.207 1.00 0.00 N ATOM 717 CA GLY A 49 17.106 -16.620 -2.163 1.00 0.00 C ATOM 718 C GLY A 49 15.733 -16.199 -1.677 1.00 0.00 C ATOM 719 O GLY A 49 14.742 -16.347 -2.393 1.00 0.00 O ATOM 0 H GLY A 49 18.604 -15.404 -1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.322 -16.122 -3.109 1.00 0.00 H new ATOM 0 HA3 GLY A 49 17.106 -17.692 -2.360 1.00 0.00 H new ATOM 723 N ILE A 50 15.674 -15.675 -0.458 1.00 0.00 N ATOM 724 CA ILE A 50 14.412 -15.232 0.122 1.00 0.00 C ATOM 725 C ILE A 50 13.971 -13.899 -0.473 1.00 0.00 C ATOM 726 O ILE A 50 14.757 -12.961 -0.608 1.00 0.00 O ATOM 727 CB ILE A 50 14.515 -15.089 1.652 1.00 0.00 C ATOM 728 CG1 ILE A 50 14.887 -16.431 2.287 1.00 0.00 C ATOM 729 CG2 ILE A 50 13.204 -14.571 2.225 1.00 0.00 C ATOM 730 CD1 ILE A 50 15.131 -16.346 3.778 1.00 0.00 C ATOM 0 H ILE A 50 16.485 -15.547 0.147 1.00 0.00 H new ATOM 0 HA ILE A 50 13.671 -15.996 -0.115 1.00 0.00 H new ATOM 0 HB ILE A 50 15.300 -14.369 1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 50 14.088 -17.147 2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.783 -16.818 1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.293 -14.475 3.307 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.977 -13.597 1.792 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.402 -15.269 1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.390 -17.333 4.161 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.950 -15.654 3.974 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.229 -15.989 4.275 1.00 0.00 H new ATOM 742 N PRO A 51 12.683 -13.810 -0.836 1.00 0.00 N ATOM 743 CA PRO A 51 12.108 -12.595 -1.420 1.00 0.00 C ATOM 744 C PRO A 51 12.002 -11.459 -0.409 1.00 0.00 C ATOM 745 O PRO A 51 11.337 -11.590 0.618 1.00 0.00 O ATOM 746 CB PRO A 51 10.714 -13.043 -1.869 1.00 0.00 C ATOM 747 CG PRO A 51 10.385 -14.196 -0.985 1.00 0.00 C ATOM 748 CD PRO A 51 11.690 -14.888 -0.704 1.00 0.00 C ATOM 0 HA PRO A 51 12.725 -12.200 -2.227 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.985 -12.240 -1.760 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.711 -13.335 -2.919 1.00 0.00 H new ATOM 0 HG2 PRO A 51 9.916 -13.858 -0.061 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.682 -14.872 -1.471 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.705 -15.328 0.293 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.877 -15.696 -1.412 1.00 0.00 H new ATOM 756 N ALA A 52 12.662 -10.344 -0.707 1.00 0.00 N ATOM 757 CA ALA A 52 12.640 -9.185 0.176 1.00 0.00 C ATOM 758 C ALA A 52 11.257 -8.985 0.786 1.00 0.00 C ATOM 759 O ALA A 52 11.125 -8.478 1.899 1.00 0.00 O ATOM 760 CB ALA A 52 13.071 -7.937 -0.581 1.00 0.00 C ATOM 0 H ALA A 52 13.218 -10.220 -1.553 1.00 0.00 H new ATOM 0 HA ALA A 52 13.344 -9.365 0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.050 -7.079 0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.083 -8.074 -0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.389 -7.763 -1.414 1.00 0.00 H new ATOM 766 N GLY A 53 10.226 -9.386 0.047 1.00 0.00 N ATOM 767 CA GLY A 53 8.866 -9.242 0.532 1.00 0.00 C ATOM 768 C GLY A 53 8.039 -8.310 -0.331 1.00 0.00 C ATOM 769 O GLY A 53 6.877 -8.038 -0.027 1.00 0.00 O ATOM 0 H GLY A 53 10.309 -9.808 -0.878 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.389 -10.222 0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.886 -8.864 1.554 1.00 0.00 H new ATOM 773 N TYR A 54 8.638 -7.818 -1.410 1.00 0.00 N ATOM 774 CA TYR A 54 7.950 -6.908 -2.318 1.00 0.00 C ATOM 775 C TYR A 54 8.303 -7.216 -3.770 1.00 0.00 C ATOM 776 O TYR A 54 9.337 -7.824 -4.053 1.00 0.00 O ATOM 777 CB TYR A 54 8.311 -5.458 -1.990 1.00 0.00 C ATOM 778 CG TYR A 54 9.763 -5.122 -2.248 1.00 0.00 C ATOM 779 CD1 TYR A 54 10.199 -4.761 -3.517 1.00 0.00 C ATOM 780 CD2 TYR A 54 10.699 -5.166 -1.222 1.00 0.00 C ATOM 781 CE1 TYR A 54 11.524 -4.455 -3.757 1.00 0.00 C ATOM 782 CE2 TYR A 54 12.026 -4.860 -1.452 1.00 0.00 C ATOM 783 CZ TYR A 54 12.434 -4.505 -2.721 1.00 0.00 C ATOM 784 OH TYR A 54 13.755 -4.200 -2.955 1.00 0.00 O ATOM 0 H TYR A 54 9.598 -8.034 -1.677 1.00 0.00 H new ATOM 0 HA TYR A 54 6.877 -7.047 -2.187 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.682 -4.793 -2.582 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.082 -5.264 -0.942 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.489 -4.719 -4.330 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.383 -5.444 -0.227 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.846 -4.178 -4.750 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.740 -4.898 -0.643 1.00 0.00 H new ATOM 0 HH TYR A 54 14.263 -4.283 -2.121 1.00 0.00 H new ATOM 794 N CYS A 55 7.439 -6.793 -4.685 1.00 0.00 N ATOM 795 CA CYS A 55 7.658 -7.023 -6.108 1.00 0.00 C ATOM 796 C CYS A 55 7.134 -5.853 -6.935 1.00 0.00 C ATOM 797 O CYS A 55 6.230 -5.134 -6.509 1.00 0.00 O ATOM 798 CB CYS A 55 6.976 -8.320 -6.547 1.00 0.00 C ATOM 799 SG CYS A 55 5.172 -8.223 -6.604 1.00 0.00 S ATOM 0 H CYS A 55 6.580 -6.289 -4.467 1.00 0.00 H new ATOM 0 HA CYS A 55 8.731 -7.111 -6.276 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.346 -8.596 -7.535 1.00 0.00 H new ATOM 0 HB3 CYS A 55 7.265 -9.119 -5.864 1.00 0.00 H new ATOM 0 HG CYS A 55 4.799 -7.751 -7.757 1.00 0.00 H new ATOM 805 N PHE A 56 7.708 -5.668 -8.119 1.00 0.00 N ATOM 806 CA PHE A 56 7.300 -4.584 -9.006 1.00 0.00 C ATOM 807 C PHE A 56 6.350 -5.093 -10.086 1.00 0.00 C ATOM 808 O PHE A 56 6.565 -6.157 -10.666 1.00 0.00 O ATOM 809 CB PHE A 56 8.527 -3.938 -9.652 1.00 0.00 C ATOM 810 CG PHE A 56 9.372 -3.156 -8.687 1.00 0.00 C ATOM 811 CD1 PHE A 56 8.916 -1.959 -8.158 1.00 0.00 C ATOM 812 CD2 PHE A 56 10.622 -3.619 -8.309 1.00 0.00 C ATOM 813 CE1 PHE A 56 9.691 -1.238 -7.270 1.00 0.00 C ATOM 814 CE2 PHE A 56 11.401 -2.902 -7.420 1.00 0.00 C ATOM 815 CZ PHE A 56 10.935 -1.710 -6.901 1.00 0.00 C ATOM 0 H PHE A 56 8.457 -6.254 -8.487 1.00 0.00 H new ATOM 0 HA PHE A 56 6.776 -3.837 -8.410 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.138 -4.716 -10.110 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.199 -3.277 -10.454 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.944 -1.585 -8.443 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.992 -4.550 -8.713 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.324 -0.306 -6.865 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.373 -3.274 -7.132 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.543 -1.148 -6.207 1.00 0.00 H new ATOM 825 N VAL A 57 5.299 -4.324 -10.351 1.00 0.00 N ATOM 826 CA VAL A 57 4.315 -4.695 -11.361 1.00 0.00 C ATOM 827 C VAL A 57 4.265 -3.664 -12.483 1.00 0.00 C ATOM 828 O VAL A 57 4.112 -2.469 -12.234 1.00 0.00 O ATOM 829 CB VAL A 57 2.909 -4.841 -10.749 1.00 0.00 C ATOM 830 CG1 VAL A 57 2.659 -6.280 -10.323 1.00 0.00 C ATOM 831 CG2 VAL A 57 2.739 -3.891 -9.573 1.00 0.00 C ATOM 0 H VAL A 57 5.107 -3.440 -9.880 1.00 0.00 H new ATOM 0 HA VAL A 57 4.626 -5.657 -11.768 1.00 0.00 H new ATOM 0 HB VAL A 57 2.172 -4.579 -11.508 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.661 -6.364 -9.893 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.737 -6.935 -11.191 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.400 -6.573 -9.580 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.740 -4.007 -9.153 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.483 -4.120 -8.810 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.872 -2.864 -9.913 1.00 0.00 H new ATOM 841 N GLU A 58 4.393 -4.136 -13.719 1.00 0.00 N ATOM 842 CA GLU A 58 4.362 -3.254 -14.880 1.00 0.00 C ATOM 843 C GLU A 58 2.943 -3.121 -15.424 1.00 0.00 C ATOM 844 O GLU A 58 2.108 -4.005 -15.234 1.00 0.00 O ATOM 845 CB GLU A 58 5.292 -3.782 -15.974 1.00 0.00 C ATOM 846 CG GLU A 58 5.706 -2.725 -16.984 1.00 0.00 C ATOM 847 CD GLU A 58 7.048 -3.023 -17.624 1.00 0.00 C ATOM 848 OE1 GLU A 58 8.050 -3.116 -16.884 1.00 0.00 O ATOM 849 OE2 GLU A 58 7.097 -3.162 -18.864 1.00 0.00 O ATOM 0 H GLU A 58 4.519 -5.123 -13.942 1.00 0.00 H new ATOM 0 HA GLU A 58 4.706 -2.269 -14.565 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.186 -4.198 -15.509 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.795 -4.599 -16.498 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.945 -2.653 -17.761 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.751 -1.754 -16.491 1.00 0.00 H new ATOM 856 N PHE A 59 2.677 -2.009 -16.101 1.00 0.00 N ATOM 857 CA PHE A 59 1.359 -1.757 -16.672 1.00 0.00 C ATOM 858 C PHE A 59 1.474 -1.022 -18.003 1.00 0.00 C ATOM 859 O PHE A 59 2.573 -0.695 -18.451 1.00 0.00 O ATOM 860 CB PHE A 59 0.505 -0.942 -15.698 1.00 0.00 C ATOM 861 CG PHE A 59 0.022 -1.734 -14.516 1.00 0.00 C ATOM 862 CD1 PHE A 59 -1.167 -2.442 -14.579 1.00 0.00 C ATOM 863 CD2 PHE A 59 0.759 -1.772 -13.343 1.00 0.00 C ATOM 864 CE1 PHE A 59 -1.614 -3.170 -13.493 1.00 0.00 C ATOM 865 CE2 PHE A 59 0.317 -2.499 -12.254 1.00 0.00 C ATOM 866 CZ PHE A 59 -0.870 -3.200 -12.329 1.00 0.00 C ATOM 0 H PHE A 59 3.357 -1.267 -16.268 1.00 0.00 H new ATOM 0 HA PHE A 59 0.878 -2.719 -16.849 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.086 -0.091 -15.342 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.356 -0.539 -16.232 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.751 -2.425 -15.487 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.689 -1.227 -13.279 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.544 -3.715 -13.554 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.900 -2.519 -11.345 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.216 -3.771 -11.480 1.00 0.00 H new ATOM 876 N ALA A 60 0.331 -0.764 -18.631 1.00 0.00 N ATOM 877 CA ALA A 60 0.303 -0.066 -19.910 1.00 0.00 C ATOM 878 C ALA A 60 0.991 1.291 -19.810 1.00 0.00 C ATOM 879 O ALA A 60 1.909 1.590 -20.574 1.00 0.00 O ATOM 880 CB ALA A 60 -1.132 0.101 -20.388 1.00 0.00 C ATOM 0 H ALA A 60 -0.587 -1.028 -18.274 1.00 0.00 H new ATOM 0 HA ALA A 60 0.849 -0.668 -20.637 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.138 0.624 -21.344 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.592 -0.880 -20.508 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.695 0.679 -19.655 1.00 0.00 H new ATOM 886 N ASP A 61 0.540 2.109 -18.865 1.00 0.00 N ATOM 887 CA ASP A 61 1.113 3.436 -18.665 1.00 0.00 C ATOM 888 C ASP A 61 0.918 3.901 -17.226 1.00 0.00 C ATOM 889 O ASP A 61 0.232 3.247 -16.439 1.00 0.00 O ATOM 890 CB ASP A 61 0.478 4.439 -19.629 1.00 0.00 C ATOM 891 CG ASP A 61 -1.003 4.187 -19.835 1.00 0.00 C ATOM 892 OD1 ASP A 61 -1.709 3.951 -18.832 1.00 0.00 O ATOM 893 OD2 ASP A 61 -1.456 4.225 -20.998 1.00 0.00 O ATOM 0 H ASP A 61 -0.220 1.877 -18.226 1.00 0.00 H new ATOM 0 HA ASP A 61 2.183 3.377 -18.866 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.622 5.449 -19.245 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.989 4.388 -20.590 1.00 0.00 H new ATOM 898 N LEU A 62 1.525 5.032 -16.888 1.00 0.00 N ATOM 899 CA LEU A 62 1.419 5.585 -15.542 1.00 0.00 C ATOM 900 C LEU A 62 -0.038 5.833 -15.168 1.00 0.00 C ATOM 901 O LEU A 62 -0.478 5.479 -14.075 1.00 0.00 O ATOM 902 CB LEU A 62 2.213 6.889 -15.440 1.00 0.00 C ATOM 903 CG LEU A 62 2.111 7.635 -14.110 1.00 0.00 C ATOM 904 CD1 LEU A 62 2.875 6.896 -13.023 1.00 0.00 C ATOM 905 CD2 LEU A 62 2.629 9.059 -14.256 1.00 0.00 C ATOM 0 H LEU A 62 2.096 5.585 -17.527 1.00 0.00 H new ATOM 0 HA LEU A 62 1.835 4.858 -14.844 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.263 6.667 -15.629 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.880 7.557 -16.235 1.00 0.00 H new ATOM 0 HG LEU A 62 1.061 7.680 -13.820 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.791 7.442 -12.084 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.458 5.897 -12.900 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.925 6.819 -13.305 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.549 9.575 -13.299 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.673 9.036 -14.570 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.037 9.587 -15.004 1.00 0.00 H new ATOM 917 N ALA A 63 -0.783 6.442 -16.085 1.00 0.00 N ATOM 918 CA ALA A 63 -2.192 6.734 -15.854 1.00 0.00 C ATOM 919 C ALA A 63 -2.921 5.516 -15.295 1.00 0.00 C ATOM 920 O ALA A 63 -3.511 5.573 -14.216 1.00 0.00 O ATOM 921 CB ALA A 63 -2.853 7.201 -17.142 1.00 0.00 C ATOM 0 H ALA A 63 -0.434 6.743 -16.995 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.255 7.533 -15.116 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.905 7.415 -16.954 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.357 8.104 -17.499 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.771 6.419 -17.897 1.00 0.00 H new ATOM 927 N THR A 64 -2.875 4.413 -16.036 1.00 0.00 N ATOM 928 CA THR A 64 -3.532 3.182 -15.616 1.00 0.00 C ATOM 929 C THR A 64 -3.067 2.757 -14.228 1.00 0.00 C ATOM 930 O THR A 64 -3.875 2.375 -13.382 1.00 0.00 O ATOM 931 CB THR A 64 -3.264 2.035 -16.609 1.00 0.00 C ATOM 932 OG1 THR A 64 -3.841 2.344 -17.882 1.00 0.00 O ATOM 933 CG2 THR A 64 -3.838 0.725 -16.090 1.00 0.00 C ATOM 0 H THR A 64 -2.389 4.348 -16.930 1.00 0.00 H new ATOM 0 HA THR A 64 -4.602 3.387 -15.590 1.00 0.00 H new ATOM 0 HB THR A 64 -2.185 1.923 -16.718 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.230 2.920 -18.387 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.637 -0.070 -16.808 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.375 0.478 -15.135 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.915 0.828 -15.955 1.00 0.00 H new ATOM 941 N ALA A 65 -1.760 2.827 -14.000 1.00 0.00 N ATOM 942 CA ALA A 65 -1.188 2.452 -12.713 1.00 0.00 C ATOM 943 C ALA A 65 -1.922 3.137 -11.565 1.00 0.00 C ATOM 944 O ALA A 65 -2.272 2.500 -10.572 1.00 0.00 O ATOM 945 CB ALA A 65 0.294 2.795 -12.673 1.00 0.00 C ATOM 0 H ALA A 65 -1.077 3.140 -14.690 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.304 1.375 -12.593 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.708 2.509 -11.706 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.814 2.255 -13.464 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.423 3.867 -12.820 1.00 0.00 H new ATOM 951 N GLU A 66 -2.151 4.439 -11.708 1.00 0.00 N ATOM 952 CA GLU A 66 -2.842 5.210 -10.682 1.00 0.00 C ATOM 953 C GLU A 66 -4.234 4.642 -10.419 1.00 0.00 C ATOM 954 O GLU A 66 -4.509 4.115 -9.340 1.00 0.00 O ATOM 955 CB GLU A 66 -2.950 6.678 -11.100 1.00 0.00 C ATOM 956 CG GLU A 66 -1.778 7.529 -10.641 1.00 0.00 C ATOM 957 CD GLU A 66 -1.661 8.828 -11.416 1.00 0.00 C ATOM 958 OE1 GLU A 66 -1.114 8.801 -12.538 1.00 0.00 O ATOM 959 OE2 GLU A 66 -2.116 9.870 -10.900 1.00 0.00 O ATOM 0 H GLU A 66 -1.868 4.981 -12.524 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.261 5.143 -9.762 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.025 6.733 -12.186 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.872 7.095 -10.695 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.889 7.752 -9.580 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.855 6.960 -10.752 1.00 0.00 H new ATOM 966 N LYS A 67 -5.108 4.752 -11.413 1.00 0.00 N ATOM 967 CA LYS A 67 -6.472 4.249 -11.292 1.00 0.00 C ATOM 968 C LYS A 67 -6.476 2.789 -10.852 1.00 0.00 C ATOM 969 O LYS A 67 -7.444 2.313 -10.256 1.00 0.00 O ATOM 970 CB LYS A 67 -7.210 4.393 -12.625 1.00 0.00 C ATOM 971 CG LYS A 67 -7.473 5.835 -13.022 1.00 0.00 C ATOM 972 CD LYS A 67 -6.320 6.410 -13.829 1.00 0.00 C ATOM 973 CE LYS A 67 -6.782 7.546 -14.728 1.00 0.00 C ATOM 974 NZ LYS A 67 -6.984 8.810 -13.967 1.00 0.00 N ATOM 0 H LYS A 67 -4.897 5.185 -12.312 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.985 4.840 -10.534 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.626 3.910 -13.408 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.160 3.863 -12.564 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.391 5.891 -13.607 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.628 6.437 -12.127 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.546 6.772 -13.153 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.871 5.624 -14.436 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.045 7.709 -15.514 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.714 7.265 -15.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.299 9.559 -14.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.706 8.662 -13.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.089 9.093 -13.520 1.00 0.00 H new ATOM 988 N CYS A 68 -5.390 2.084 -11.147 1.00 0.00 N ATOM 989 CA CYS A 68 -5.268 0.677 -10.780 1.00 0.00 C ATOM 990 C CYS A 68 -4.710 0.529 -9.369 1.00 0.00 C ATOM 991 O CYS A 68 -4.850 -0.521 -8.741 1.00 0.00 O ATOM 992 CB CYS A 68 -4.369 -0.056 -11.777 1.00 0.00 C ATOM 993 SG CYS A 68 -4.485 -1.858 -11.690 1.00 0.00 S ATOM 0 H CYS A 68 -4.581 2.463 -11.639 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.263 0.233 -10.805 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.626 0.266 -12.786 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.334 0.240 -11.602 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.163 -2.299 -12.708 1.00 0.00 H new ATOM 999 N LEU A 69 -4.075 1.587 -8.875 1.00 0.00 N ATOM 1000 CA LEU A 69 -3.493 1.575 -7.538 1.00 0.00 C ATOM 1001 C LEU A 69 -4.471 2.143 -6.514 1.00 0.00 C ATOM 1002 O LEU A 69 -4.400 1.820 -5.327 1.00 0.00 O ATOM 1003 CB LEU A 69 -2.193 2.380 -7.519 1.00 0.00 C ATOM 1004 CG LEU A 69 -1.803 2.995 -6.174 1.00 0.00 C ATOM 1005 CD1 LEU A 69 -1.051 1.984 -5.323 1.00 0.00 C ATOM 1006 CD2 LEU A 69 -0.965 4.247 -6.383 1.00 0.00 C ATOM 0 H LEU A 69 -3.950 2.464 -9.381 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.276 0.540 -7.272 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.382 1.730 -7.847 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.275 3.182 -8.252 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.715 3.276 -5.647 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.782 2.439 -4.370 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.685 1.116 -5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.146 1.671 -5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.697 4.671 -5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.058 3.991 -6.931 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.539 4.978 -6.953 1.00 0.00 H new ATOM 1018 N HIS A 70 -5.384 2.988 -6.980 1.00 0.00 N ATOM 1019 CA HIS A 70 -6.379 3.599 -6.105 1.00 0.00 C ATOM 1020 C HIS A 70 -7.641 2.745 -6.038 1.00 0.00 C ATOM 1021 O HIS A 70 -8.499 2.951 -5.179 1.00 0.00 O ATOM 1022 CB HIS A 70 -6.726 5.005 -6.596 1.00 0.00 C ATOM 1023 CG HIS A 70 -5.632 6.004 -6.373 1.00 0.00 C ATOM 1024 ND1 HIS A 70 -5.546 6.786 -5.241 1.00 0.00 N ATOM 1025 CD2 HIS A 70 -4.574 6.345 -7.145 1.00 0.00 C ATOM 1026 CE1 HIS A 70 -4.484 7.566 -5.327 1.00 0.00 C ATOM 1027 NE2 HIS A 70 -3.876 7.318 -6.473 1.00 0.00 N ATOM 0 H HIS A 70 -5.456 3.266 -7.959 1.00 0.00 H new ATOM 0 HA HIS A 70 -5.954 3.667 -5.104 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.957 4.963 -7.660 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.628 5.346 -6.088 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.325 5.929 -8.110 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.166 8.285 -4.586 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -3.026 7.775 -6.805 1.00 0.00 H new ATOM 1035 N LYS A 71 -7.749 1.784 -6.950 1.00 0.00 N ATOM 1036 CA LYS A 71 -8.906 0.898 -6.995 1.00 0.00 C ATOM 1037 C LYS A 71 -8.725 -0.281 -6.043 1.00 0.00 C ATOM 1038 O LYS A 71 -9.692 -0.955 -5.685 1.00 0.00 O ATOM 1039 CB LYS A 71 -9.127 0.386 -8.420 1.00 0.00 C ATOM 1040 CG LYS A 71 -7.977 -0.453 -8.951 1.00 0.00 C ATOM 1041 CD LYS A 71 -8.152 -1.922 -8.604 1.00 0.00 C ATOM 1042 CE LYS A 71 -9.123 -2.606 -9.555 1.00 0.00 C ATOM 1043 NZ LYS A 71 -9.293 -4.049 -9.228 1.00 0.00 N ATOM 0 H LYS A 71 -7.049 1.599 -7.668 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.781 1.467 -6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.041 -0.208 -8.446 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.281 1.237 -9.083 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.912 -0.339 -10.033 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.038 -0.089 -8.535 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.186 -2.425 -8.645 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.516 -2.015 -7.581 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.091 -2.106 -9.508 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.761 -2.505 -10.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.935 -4.488 -9.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.369 -4.524 -9.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.694 -4.144 -8.273 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.484 -0.521 -5.635 1.00 0.00 N ATOM 1058 CA ILE A 72 -7.179 -1.616 -4.722 1.00 0.00 C ATOM 1059 C ILE A 72 -6.566 -1.097 -3.426 1.00 0.00 C ATOM 1060 O ILE A 72 -7.000 -1.460 -2.334 1.00 0.00 O ATOM 1061 CB ILE A 72 -6.213 -2.631 -5.363 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -5.308 -1.933 -6.381 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -6.992 -3.759 -6.023 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -4.543 -2.893 -7.265 1.00 0.00 C ATOM 0 H ILE A 72 -6.673 0.028 -5.922 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.123 -2.114 -4.501 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.586 -3.059 -4.581 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.915 -1.280 -7.008 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.600 -1.297 -5.850 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.296 -4.468 -6.471 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.598 -4.269 -5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.641 -3.349 -6.797 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.922 -2.330 -7.962 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.909 -3.530 -6.648 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.245 -3.512 -7.823 1.00 0.00 H new ATOM 1076 N ASN A 73 -5.556 -0.243 -3.556 1.00 0.00 N ATOM 1077 CA ASN A 73 -4.884 0.328 -2.394 1.00 0.00 C ATOM 1078 C ASN A 73 -5.854 0.484 -1.227 1.00 0.00 C ATOM 1079 O ASN A 73 -6.603 1.458 -1.154 1.00 0.00 O ATOM 1080 CB ASN A 73 -4.273 1.685 -2.749 1.00 0.00 C ATOM 1081 CG ASN A 73 -3.818 2.453 -1.522 1.00 0.00 C ATOM 1082 OD1 ASN A 73 -4.317 3.542 -1.237 1.00 0.00 O ATOM 1083 ND2 ASN A 73 -2.866 1.886 -0.789 1.00 0.00 N ATOM 0 H ASN A 73 -5.185 0.069 -4.454 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.089 -0.354 -2.093 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.424 1.535 -3.416 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.006 2.279 -3.295 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.520 2.355 0.048 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.481 0.982 -1.063 1.00 0.00 H new ATOM 1090 N GLY A 74 -5.834 -0.483 -0.314 1.00 0.00 N ATOM 1091 CA GLY A 74 -6.715 -0.434 0.838 1.00 0.00 C ATOM 1092 C GLY A 74 -7.702 -1.584 0.862 1.00 0.00 C ATOM 1093 O GLY A 74 -8.553 -1.665 1.749 1.00 0.00 O ATOM 0 H GLY A 74 -5.223 -1.299 -0.352 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.118 -0.453 1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.261 0.509 0.834 1.00 0.00 H new ATOM 1097 N LYS A 75 -7.592 -2.477 -0.116 1.00 0.00 N ATOM 1098 CA LYS A 75 -8.482 -3.629 -0.206 1.00 0.00 C ATOM 1099 C LYS A 75 -7.748 -4.913 0.165 1.00 0.00 C ATOM 1100 O LYS A 75 -6.523 -5.003 0.080 1.00 0.00 O ATOM 1101 CB LYS A 75 -9.056 -3.747 -1.619 1.00 0.00 C ATOM 1102 CG LYS A 75 -10.170 -2.755 -1.908 1.00 0.00 C ATOM 1103 CD LYS A 75 -11.484 -3.196 -1.286 1.00 0.00 C ATOM 1104 CE LYS A 75 -12.109 -4.346 -2.060 1.00 0.00 C ATOM 1105 NZ LYS A 75 -13.267 -4.939 -1.335 1.00 0.00 N ATOM 0 H LYS A 75 -6.894 -2.425 -0.858 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.299 -3.481 0.500 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.253 -3.600 -2.342 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.435 -4.759 -1.765 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.894 -1.774 -1.521 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.294 -2.649 -2.986 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.315 -3.501 -0.253 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.176 -2.354 -1.261 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.436 -3.991 -3.037 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.358 -5.116 -2.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.665 -5.719 -1.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.951 -5.301 -0.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.995 -4.211 -1.190 1.00 0.00 H new ATOM 1119 N PRO A 76 -8.512 -5.933 0.585 1.00 0.00 N ATOM 1120 CA PRO A 76 -7.955 -7.231 0.975 1.00 0.00 C ATOM 1121 C PRO A 76 -7.403 -8.007 -0.217 1.00 0.00 C ATOM 1122 O PRO A 76 -8.050 -8.103 -1.261 1.00 0.00 O ATOM 1123 CB PRO A 76 -9.154 -7.964 1.581 1.00 0.00 C ATOM 1124 CG PRO A 76 -10.344 -7.336 0.942 1.00 0.00 C ATOM 1125 CD PRO A 76 -9.978 -5.896 0.711 1.00 0.00 C ATOM 0 HA PRO A 76 -7.113 -7.124 1.659 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.111 -9.033 1.373 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.181 -7.851 2.665 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.590 -7.832 0.003 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.221 -7.418 1.585 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.449 -5.501 -0.189 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.294 -5.263 1.540 1.00 0.00 H new ATOM 1133 N LEU A 77 -6.207 -8.560 -0.054 1.00 0.00 N ATOM 1134 CA LEU A 77 -5.568 -9.328 -1.117 1.00 0.00 C ATOM 1135 C LEU A 77 -6.041 -10.778 -1.100 1.00 0.00 C ATOM 1136 O LEU A 77 -5.967 -11.469 -0.083 1.00 0.00 O ATOM 1137 CB LEU A 77 -4.046 -9.275 -0.969 1.00 0.00 C ATOM 1138 CG LEU A 77 -3.273 -10.460 -1.548 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -3.224 -10.374 -3.066 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -1.867 -10.514 -0.969 1.00 0.00 C ATOM 0 H LEU A 77 -5.660 -8.491 0.804 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.849 -8.883 -2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.686 -8.364 -1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.807 -9.194 0.091 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.793 -11.378 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.670 -11.226 -3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.239 -10.385 -3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.728 -9.450 -3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.332 -11.364 -1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.337 -9.593 -1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.923 -10.624 0.114 1.00 0.00 H new ATOM 1152 N PRO A 78 -6.537 -11.253 -2.252 1.00 0.00 N ATOM 1153 CA PRO A 78 -7.029 -12.626 -2.396 1.00 0.00 C ATOM 1154 C PRO A 78 -5.903 -13.654 -2.344 1.00 0.00 C ATOM 1155 O PRO A 78 -4.769 -13.367 -2.725 1.00 0.00 O ATOM 1156 CB PRO A 78 -7.687 -12.624 -3.778 1.00 0.00 C ATOM 1157 CG PRO A 78 -6.996 -11.535 -4.525 1.00 0.00 C ATOM 1158 CD PRO A 78 -6.654 -10.486 -3.504 1.00 0.00 C ATOM 0 HA PRO A 78 -7.705 -12.903 -1.587 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -7.564 -13.586 -4.276 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -8.758 -12.437 -3.706 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.098 -11.908 -5.017 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.640 -11.126 -5.304 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.724 -9.974 -3.750 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.429 -9.723 -3.437 1.00 0.00 H new ATOM 1166 N GLY A 79 -6.225 -14.853 -1.868 1.00 0.00 N ATOM 1167 CA GLY A 79 -5.230 -15.906 -1.775 1.00 0.00 C ATOM 1168 C GLY A 79 -4.348 -15.762 -0.551 1.00 0.00 C ATOM 1169 O GLY A 79 -4.040 -16.747 0.120 1.00 0.00 O ATOM 0 H GLY A 79 -7.157 -15.114 -1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.731 -16.874 -1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.609 -15.895 -2.670 1.00 0.00 H new ATOM 1173 N ALA A 80 -3.938 -14.532 -0.259 1.00 0.00 N ATOM 1174 CA ALA A 80 -3.087 -14.263 0.893 1.00 0.00 C ATOM 1175 C ALA A 80 -3.421 -15.196 2.052 1.00 0.00 C ATOM 1176 O ALA A 80 -4.578 -15.312 2.457 1.00 0.00 O ATOM 1177 CB ALA A 80 -3.226 -12.811 1.325 1.00 0.00 C ATOM 0 H ALA A 80 -4.182 -13.706 -0.805 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.053 -14.446 0.600 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.585 -12.625 2.186 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.930 -12.157 0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.263 -12.609 1.594 1.00 0.00 H new ATOM 1183 N THR A 81 -2.400 -15.862 2.584 1.00 0.00 N ATOM 1184 CA THR A 81 -2.585 -16.786 3.695 1.00 0.00 C ATOM 1185 C THR A 81 -1.743 -16.377 4.898 1.00 0.00 C ATOM 1186 O THR A 81 -0.525 -16.216 4.807 1.00 0.00 O ATOM 1187 CB THR A 81 -2.220 -18.228 3.294 1.00 0.00 C ATOM 1188 OG1 THR A 81 -3.060 -18.664 2.219 1.00 0.00 O ATOM 1189 CG2 THR A 81 -2.369 -19.173 4.477 1.00 0.00 C ATOM 0 H THR A 81 -1.436 -15.778 2.262 1.00 0.00 H new ATOM 0 HA THR A 81 -3.641 -16.747 3.964 1.00 0.00 H new ATOM 0 HB THR A 81 -1.179 -18.240 2.970 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.210 -17.920 1.599 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.106 -20.185 4.170 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.707 -18.855 5.282 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.401 -19.157 4.828 1.00 0.00 H new ATOM 1197 N PRO A 82 -2.402 -16.204 6.053 1.00 0.00 N ATOM 1198 CA PRO A 82 -3.851 -16.392 6.172 1.00 0.00 C ATOM 1199 C PRO A 82 -4.639 -15.306 5.447 1.00 0.00 C ATOM 1200 O PRO A 82 -5.591 -15.596 4.724 1.00 0.00 O ATOM 1201 CB PRO A 82 -4.096 -16.312 7.681 1.00 0.00 C ATOM 1202 CG PRO A 82 -2.966 -15.495 8.205 1.00 0.00 C ATOM 1203 CD PRO A 82 -1.785 -15.811 7.330 1.00 0.00 C ATOM 0 HA PRO A 82 -4.178 -17.329 5.721 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.057 -15.847 7.902 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.110 -17.304 8.133 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.204 -14.432 8.170 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.757 -15.741 9.246 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.131 -14.947 7.211 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.179 -16.615 7.748 1.00 0.00 H new ATOM 1211 N ALA A 83 -4.234 -14.056 5.645 1.00 0.00 N ATOM 1212 CA ALA A 83 -4.900 -12.927 5.007 1.00 0.00 C ATOM 1213 C ALA A 83 -4.055 -11.662 5.107 1.00 0.00 C ATOM 1214 O ALA A 83 -3.556 -11.319 6.179 1.00 0.00 O ATOM 1215 CB ALA A 83 -6.269 -12.700 5.633 1.00 0.00 C ATOM 0 H ALA A 83 -3.448 -13.799 6.242 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.029 -13.163 3.951 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.755 -11.854 5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.881 -13.593 5.504 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.153 -12.490 6.696 1.00 0.00 H new ATOM 1221 N LYS A 84 -3.896 -10.972 3.983 1.00 0.00 N ATOM 1222 CA LYS A 84 -3.111 -9.744 3.943 1.00 0.00 C ATOM 1223 C LYS A 84 -3.816 -8.674 3.115 1.00 0.00 C ATOM 1224 O LYS A 84 -4.665 -8.983 2.278 1.00 0.00 O ATOM 1225 CB LYS A 84 -1.722 -10.021 3.362 1.00 0.00 C ATOM 1226 CG LYS A 84 -0.718 -10.508 4.393 1.00 0.00 C ATOM 1227 CD LYS A 84 0.611 -10.866 3.750 1.00 0.00 C ATOM 1228 CE LYS A 84 1.435 -11.780 4.645 1.00 0.00 C ATOM 1229 NZ LYS A 84 1.731 -11.148 5.961 1.00 0.00 N ATOM 0 H LYS A 84 -4.301 -11.243 3.087 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.005 -9.377 4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.810 -10.767 2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.342 -9.110 2.899 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.563 -9.734 5.145 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.120 -11.379 4.910 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.433 -11.356 2.793 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.173 -9.955 3.542 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.897 -12.714 4.804 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.370 -12.032 4.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.404 -11.741 6.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.145 -10.206 5.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.851 -11.055 6.507 1.00 0.00 H new ATOM 1243 N ARG A 85 -3.457 -7.417 3.352 1.00 0.00 N ATOM 1244 CA ARG A 85 -4.055 -6.302 2.628 1.00 0.00 C ATOM 1245 C ARG A 85 -3.217 -5.935 1.406 1.00 0.00 C ATOM 1246 O ARG A 85 -2.027 -6.244 1.341 1.00 0.00 O ATOM 1247 CB ARG A 85 -4.197 -5.087 3.546 1.00 0.00 C ATOM 1248 CG ARG A 85 -5.260 -4.101 3.091 1.00 0.00 C ATOM 1249 CD ARG A 85 -5.854 -3.341 4.267 1.00 0.00 C ATOM 1250 NE ARG A 85 -4.987 -2.252 4.710 1.00 0.00 N ATOM 1251 CZ ARG A 85 -5.071 -1.687 5.909 1.00 0.00 C ATOM 1252 NH1 ARG A 85 -5.978 -2.106 6.781 1.00 0.00 N ATOM 1253 NH2 ARG A 85 -4.246 -0.702 6.238 1.00 0.00 N ATOM 0 H ARG A 85 -2.755 -7.145 4.040 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.044 -6.610 2.290 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.438 -5.429 4.553 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.238 -4.573 3.605 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.825 -3.396 2.383 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.051 -4.634 2.564 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.826 -2.938 3.984 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.023 -4.029 5.095 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.278 -1.907 4.063 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.613 -2.864 6.532 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.040 -1.670 7.701 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.547 -0.378 5.570 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.311 -0.268 7.159 1.00 0.00 H new ATOM 1267 N PHE A 86 -3.847 -5.276 0.440 1.00 0.00 N ATOM 1268 CA PHE A 86 -3.161 -4.868 -0.781 1.00 0.00 C ATOM 1269 C PHE A 86 -2.254 -3.669 -0.520 1.00 0.00 C ATOM 1270 O PHE A 86 -2.716 -2.529 -0.459 1.00 0.00 O ATOM 1271 CB PHE A 86 -4.176 -4.527 -1.873 1.00 0.00 C ATOM 1272 CG PHE A 86 -4.485 -5.679 -2.786 1.00 0.00 C ATOM 1273 CD1 PHE A 86 -3.473 -6.318 -3.483 1.00 0.00 C ATOM 1274 CD2 PHE A 86 -5.788 -6.123 -2.946 1.00 0.00 C ATOM 1275 CE1 PHE A 86 -3.754 -7.378 -4.325 1.00 0.00 C ATOM 1276 CE2 PHE A 86 -6.075 -7.183 -3.786 1.00 0.00 C ATOM 1277 CZ PHE A 86 -5.057 -7.811 -4.475 1.00 0.00 C ATOM 0 H PHE A 86 -4.832 -5.013 0.478 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.544 -5.701 -1.117 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.100 -4.187 -1.405 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.794 -3.696 -2.466 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.452 -5.984 -3.367 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.588 -5.636 -2.409 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.956 -7.867 -4.864 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.095 -7.519 -3.903 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.279 -8.640 -5.131 1.00 0.00 H new ATOM 1287 N LYS A 87 -0.961 -3.934 -0.368 1.00 0.00 N ATOM 1288 CA LYS A 87 0.012 -2.878 -0.114 1.00 0.00 C ATOM 1289 C LYS A 87 0.638 -2.391 -1.417 1.00 0.00 C ATOM 1290 O LYS A 87 1.559 -3.015 -1.946 1.00 0.00 O ATOM 1291 CB LYS A 87 1.105 -3.380 0.832 1.00 0.00 C ATOM 1292 CG LYS A 87 1.712 -2.286 1.694 1.00 0.00 C ATOM 1293 CD LYS A 87 0.845 -1.984 2.905 1.00 0.00 C ATOM 1294 CE LYS A 87 1.071 -0.568 3.412 1.00 0.00 C ATOM 1295 NZ LYS A 87 0.013 -0.148 4.373 1.00 0.00 N ATOM 0 H LYS A 87 -0.562 -4.872 -0.416 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.509 -2.043 0.353 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.688 -4.152 1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.895 -3.849 0.245 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.705 -2.590 2.024 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.837 -1.381 1.100 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.205 -2.115 2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.067 -2.696 3.700 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.046 -0.506 3.895 1.00 0.00 H new ATOM 0 HE3 LYS A 87 1.090 0.121 2.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.202 0.822 4.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.915 -0.182 3.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.012 -0.791 5.191 1.00 0.00 H new ATOM 1309 N LEU A 88 0.134 -1.274 -1.929 1.00 0.00 N ATOM 1310 CA LEU A 88 0.645 -0.702 -3.170 1.00 0.00 C ATOM 1311 C LEU A 88 1.066 0.750 -2.967 1.00 0.00 C ATOM 1312 O LEU A 88 0.480 1.470 -2.160 1.00 0.00 O ATOM 1313 CB LEU A 88 -0.415 -0.789 -4.269 1.00 0.00 C ATOM 1314 CG LEU A 88 -1.119 -2.138 -4.418 1.00 0.00 C ATOM 1315 CD1 LEU A 88 -2.152 -2.082 -5.533 1.00 0.00 C ATOM 1316 CD2 LEU A 88 -0.105 -3.242 -4.684 1.00 0.00 C ATOM 0 H LEU A 88 -0.628 -0.746 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 88 1.521 -1.276 -3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.170 -0.027 -4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.056 -0.540 -5.220 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.635 -2.362 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.642 -3.051 -5.624 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.896 -1.319 -5.302 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.659 -1.835 -6.473 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.624 -4.195 -4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.439 -3.023 -5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.597 -3.299 -3.852 1.00 0.00 H new ATOM 1328 N ASN A 89 2.085 1.174 -3.708 1.00 0.00 N ATOM 1329 CA ASN A 89 2.583 2.541 -3.611 1.00 0.00 C ATOM 1330 C ASN A 89 3.266 2.965 -4.908 1.00 0.00 C ATOM 1331 O ASN A 89 3.480 2.148 -5.804 1.00 0.00 O ATOM 1332 CB ASN A 89 3.562 2.668 -2.442 1.00 0.00 C ATOM 1333 CG ASN A 89 2.860 2.962 -1.130 1.00 0.00 C ATOM 1334 OD1 ASN A 89 3.028 2.240 -0.147 1.00 0.00 O ATOM 1335 ND2 ASN A 89 2.069 4.029 -1.109 1.00 0.00 N ATOM 0 H ASN A 89 2.581 0.591 -4.382 1.00 0.00 H new ATOM 0 HA ASN A 89 1.732 3.199 -3.437 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.132 1.744 -2.347 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.277 3.463 -2.655 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.571 4.278 -0.254 1.00 0.00 H new ATOM 0 HD22 ASN A 89 1.959 4.599 -1.948 1.00 0.00 H new ATOM 1342 N TYR A 90 3.606 4.245 -5.000 1.00 0.00 N ATOM 1343 CA TYR A 90 4.263 4.778 -6.188 1.00 0.00 C ATOM 1344 C TYR A 90 5.703 4.284 -6.282 1.00 0.00 C ATOM 1345 O TYR A 90 6.441 4.296 -5.296 1.00 0.00 O ATOM 1346 CB TYR A 90 4.237 6.308 -6.168 1.00 0.00 C ATOM 1347 CG TYR A 90 2.914 6.896 -6.606 1.00 0.00 C ATOM 1348 CD1 TYR A 90 2.256 6.416 -7.731 1.00 0.00 C ATOM 1349 CD2 TYR A 90 2.324 7.933 -5.895 1.00 0.00 C ATOM 1350 CE1 TYR A 90 1.048 6.951 -8.135 1.00 0.00 C ATOM 1351 CE2 TYR A 90 1.116 8.474 -6.290 1.00 0.00 C ATOM 1352 CZ TYR A 90 0.482 7.979 -7.411 1.00 0.00 C ATOM 1353 OH TYR A 90 -0.721 8.515 -7.810 1.00 0.00 O ATOM 0 H TYR A 90 3.438 4.933 -4.266 1.00 0.00 H new ATOM 0 HA TYR A 90 3.718 4.423 -7.063 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.463 6.654 -5.159 1.00 0.00 H new ATOM 0 HB3 TYR A 90 5.026 6.685 -6.819 1.00 0.00 H new ATOM 0 HD1 TYR A 90 2.696 5.610 -8.300 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.818 8.323 -5.018 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.550 6.566 -9.013 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.671 9.279 -5.725 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.982 9.229 -7.192 1.00 0.00 H new ATOM 1363 N ALA A 91 6.097 3.851 -7.475 1.00 0.00 N ATOM 1364 CA ALA A 91 7.449 3.355 -7.699 1.00 0.00 C ATOM 1365 C ALA A 91 8.488 4.329 -7.154 1.00 0.00 C ATOM 1366 O ALA A 91 9.629 3.950 -6.887 1.00 0.00 O ATOM 1367 CB ALA A 91 7.681 3.108 -9.183 1.00 0.00 C ATOM 0 H ALA A 91 5.499 3.834 -8.301 1.00 0.00 H new ATOM 0 HA ALA A 91 7.557 2.412 -7.163 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.695 2.738 -9.336 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.966 2.369 -9.545 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.548 4.040 -9.732 1.00 0.00 H new ATOM 1373 N THR A 92 8.087 5.586 -6.992 1.00 0.00 N ATOM 1374 CA THR A 92 8.984 6.614 -6.480 1.00 0.00 C ATOM 1375 C THR A 92 8.699 6.913 -5.013 1.00 0.00 C ATOM 1376 O THR A 92 8.664 8.072 -4.601 1.00 0.00 O ATOM 1377 CB THR A 92 8.863 7.919 -7.291 1.00 0.00 C ATOM 1378 OG1 THR A 92 9.849 8.861 -6.853 1.00 0.00 O ATOM 1379 CG2 THR A 92 7.475 8.522 -7.141 1.00 0.00 C ATOM 0 H THR A 92 7.147 5.916 -7.208 1.00 0.00 H new ATOM 0 HA THR A 92 9.998 6.226 -6.578 1.00 0.00 H new ATOM 0 HB THR A 92 9.028 7.685 -8.343 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.756 9.007 -5.888 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.413 9.442 -7.722 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.730 7.814 -7.503 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.286 8.743 -6.091 1.00 0.00 H new ATOM 1387 N TYR A 93 8.497 5.860 -4.229 1.00 0.00 N ATOM 1388 CA TYR A 93 8.213 6.010 -2.806 1.00 0.00 C ATOM 1389 C TYR A 93 9.503 6.161 -2.006 1.00 0.00 C ATOM 1390 O TYR A 93 9.634 5.616 -0.910 1.00 0.00 O ATOM 1391 CB TYR A 93 7.419 4.807 -2.294 1.00 0.00 C ATOM 1392 CG TYR A 93 8.284 3.621 -1.932 1.00 0.00 C ATOM 1393 CD1 TYR A 93 9.531 3.441 -2.517 1.00 0.00 C ATOM 1394 CD2 TYR A 93 7.854 2.680 -1.004 1.00 0.00 C ATOM 1395 CE1 TYR A 93 10.324 2.358 -2.190 1.00 0.00 C ATOM 1396 CE2 TYR A 93 8.640 1.595 -0.670 1.00 0.00 C ATOM 1397 CZ TYR A 93 9.874 1.438 -1.266 1.00 0.00 C ATOM 1398 OH TYR A 93 10.662 0.358 -0.937 1.00 0.00 O ATOM 0 H TYR A 93 8.525 4.894 -4.554 1.00 0.00 H new ATOM 0 HA TYR A 93 7.617 6.913 -2.673 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.844 5.108 -1.418 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.702 4.504 -3.057 1.00 0.00 H new ATOM 0 HD1 TYR A 93 9.887 4.160 -3.240 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.888 2.800 -0.536 1.00 0.00 H new ATOM 0 HE1 TYR A 93 11.291 2.232 -2.655 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.291 0.873 0.054 1.00 0.00 H new ATOM 0 HH TYR A 93 10.200 -0.193 -0.271 1.00 0.00 H new ATOM 1408 N SER A 94 10.453 6.905 -2.563 1.00 0.00 N ATOM 1409 CA SER A 94 11.735 7.126 -1.904 1.00 0.00 C ATOM 1410 C SER A 94 11.752 8.472 -1.187 1.00 0.00 C ATOM 1411 O SER A 94 12.340 8.609 -0.115 1.00 0.00 O ATOM 1412 CB SER A 94 12.874 7.064 -2.924 1.00 0.00 C ATOM 1413 OG SER A 94 12.737 8.078 -3.903 1.00 0.00 O ATOM 0 H SER A 94 10.359 7.365 -3.469 1.00 0.00 H new ATOM 0 HA SER A 94 11.876 6.338 -1.164 1.00 0.00 H new ATOM 0 HB2 SER A 94 13.830 7.174 -2.413 1.00 0.00 H new ATOM 0 HB3 SER A 94 12.881 6.087 -3.407 1.00 0.00 H new ATOM 0 HG SER A 94 13.478 8.018 -4.542 1.00 0.00 H new ATOM 1419 N GLY A 95 11.102 9.464 -1.788 1.00 0.00 N ATOM 1420 CA GLY A 95 11.054 10.787 -1.193 1.00 0.00 C ATOM 1421 C GLY A 95 9.769 11.523 -1.518 1.00 0.00 C ATOM 1422 O GLY A 95 9.729 12.390 -2.390 1.00 0.00 O ATOM 0 H GLY A 95 10.608 9.375 -2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.155 10.699 -0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.903 11.372 -1.546 1.00 0.00 H new ATOM 1426 N PRO A 96 8.687 11.174 -0.806 1.00 0.00 N ATOM 1427 CA PRO A 96 7.374 11.794 -1.006 1.00 0.00 C ATOM 1428 C PRO A 96 7.340 13.243 -0.532 1.00 0.00 C ATOM 1429 O PRO A 96 8.251 13.703 0.156 1.00 0.00 O ATOM 1430 CB PRO A 96 6.441 10.931 -0.154 1.00 0.00 C ATOM 1431 CG PRO A 96 7.320 10.345 0.897 1.00 0.00 C ATOM 1432 CD PRO A 96 8.663 10.147 0.250 1.00 0.00 C ATOM 0 HA PRO A 96 7.097 11.833 -2.060 1.00 0.00 H new ATOM 0 HB2 PRO A 96 5.642 11.528 0.286 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.966 10.153 -0.752 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.396 11.010 1.758 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.918 9.399 1.259 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.477 10.284 0.962 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.766 9.143 -0.163 1.00 0.00 H new ATOM 1440 N SER A 97 6.283 13.958 -0.906 1.00 0.00 N ATOM 1441 CA SER A 97 6.132 15.357 -0.522 1.00 0.00 C ATOM 1442 C SER A 97 4.664 15.699 -0.285 1.00 0.00 C ATOM 1443 O SER A 97 3.800 15.371 -1.098 1.00 0.00 O ATOM 1444 CB SER A 97 6.712 16.270 -1.603 1.00 0.00 C ATOM 1445 OG SER A 97 8.121 16.371 -1.483 1.00 0.00 O ATOM 0 H SER A 97 5.519 13.592 -1.474 1.00 0.00 H new ATOM 0 HA SER A 97 6.679 15.514 0.408 1.00 0.00 H new ATOM 0 HB2 SER A 97 6.455 15.881 -2.588 1.00 0.00 H new ATOM 0 HB3 SER A 97 6.265 17.261 -1.525 1.00 0.00 H new ATOM 0 HG SER A 97 8.451 15.661 -0.893 1.00 0.00 H new ATOM 1451 N SER A 98 4.390 16.361 0.835 1.00 0.00 N ATOM 1452 CA SER A 98 3.027 16.745 1.182 1.00 0.00 C ATOM 1453 C SER A 98 2.230 17.106 -0.068 1.00 0.00 C ATOM 1454 O SER A 98 2.473 18.134 -0.698 1.00 0.00 O ATOM 1455 CB SER A 98 3.040 17.929 2.152 1.00 0.00 C ATOM 1456 OG SER A 98 3.759 19.023 1.611 1.00 0.00 O ATOM 0 H SER A 98 5.094 16.642 1.517 1.00 0.00 H new ATOM 0 HA SER A 98 2.547 15.894 1.665 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.017 18.235 2.371 1.00 0.00 H new ATOM 0 HB3 SER A 98 3.491 17.625 3.096 1.00 0.00 H new ATOM 0 HG SER A 98 3.649 19.037 0.637 1.00 0.00 H new ATOM 1462 N GLY A 99 1.274 16.251 -0.419 1.00 0.00 N ATOM 1463 CA GLY A 99 0.455 16.496 -1.592 1.00 0.00 C ATOM 1464 C GLY A 99 1.129 16.050 -2.874 1.00 0.00 C ATOM 1465 O GLY A 99 1.035 16.724 -3.900 1.00 0.00 O ATOM 0 H GLY A 99 1.052 15.394 0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.495 15.973 -1.484 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.227 17.560 -1.656 1.00 0.00 H new TER 1469 GLY A 99