USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 805 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 37 CYS SG : rot 36:sc= 0.338 USER MOD Set 1.2: A 51 HIS : no HD1:sc= -1.05 K(o=-0.71,f=-4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.133 USER MOD Single : A 13 MET CE :methyl 157:sc= -2.84 (180deg=-5.26!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 96:sc= -1.37 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -160:sc= -0.531 USER MOD Single : A 18 SER OG : rot 54:sc= 0.229 USER MOD Single : A 19 MET CE :methyl -120:sc= -0.564 (180deg=-2.09!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -160:sc= -3.64! (180deg=-5.44!) USER MOD Single : A 25 MET CE :methyl -165:sc=-0.00423 (180deg=-0.195) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.803 K(o=-0.8,f=-1.7) USER MOD Single : A 36 ASN : amide:sc= -0.0142 X(o=-0.014,f=-0.28) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.98 K(o=-2,f=-3.1!) USER MOD Single : A 49 CYS SG : rot 175:sc= 0.217 USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.399 F(o=-1.3,f=-0.4) USER MOD Single : A 58 ASN :FLIP amide:sc= -1.34 F(o=-4.1!,f=-1.3) USER MOD Single : A 61 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.31) USER MOD Single : A 64 MET CE :methyl 175:sc= -2.62 (180deg=-2.74) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.0886 USER MOD Single : A 68 LYS NZ :NH3+ -165:sc=-0.00565 (180deg=-0.102) USER MOD Single : A 73 SER OG : rot -60:sc= 0.597 USER MOD Single : A 75 ASN : amide:sc= -0.537 K(o=-0.54,f=-1.9) USER MOD Single : A 80 LYS NZ :NH3+ -153:sc= 0.00047 (180deg=-0.0615) USER MOD Single : A 83 SER OG : rot 180:sc= 0.0367 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0822 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.156 K(o=-0.16,f=-2.3!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.005) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ -159:sc= -0.046 (180deg=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.441 17.165 -25.848 1.00 0.00 N ATOM 2 CA GLY A 1 9.741 16.189 -25.034 1.00 0.00 C ATOM 3 C GLY A 1 9.329 16.747 -23.686 1.00 0.00 C ATOM 4 O GLY A 1 10.158 17.276 -22.945 1.00 0.00 O ATOM 0 H1 GLY A 1 10.701 16.735 -26.759 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.823 17.984 -26.016 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.302 17.476 -25.354 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.855 15.844 -25.567 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.381 15.320 -24.884 1.00 0.00 H new ATOM 8 N SER A 2 8.043 16.631 -23.367 1.00 0.00 N ATOM 9 CA SER A 2 7.521 17.133 -22.102 1.00 0.00 C ATOM 10 C SER A 2 7.789 16.143 -20.972 1.00 0.00 C ATOM 11 O SER A 2 7.324 15.004 -21.008 1.00 0.00 O ATOM 12 CB SER A 2 6.019 17.401 -22.215 1.00 0.00 C ATOM 13 OG SER A 2 5.763 18.539 -23.020 1.00 0.00 O ATOM 0 H SER A 2 7.344 16.194 -23.968 1.00 0.00 H new ATOM 0 HA SER A 2 8.033 18.067 -21.872 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.522 16.530 -22.643 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.598 17.552 -21.221 1.00 0.00 H new ATOM 0 HG SER A 2 4.796 18.688 -23.078 1.00 0.00 H new ATOM 19 N SER A 3 8.542 16.586 -19.971 1.00 0.00 N ATOM 20 CA SER A 3 8.876 15.739 -18.832 1.00 0.00 C ATOM 21 C SER A 3 9.490 14.422 -19.296 1.00 0.00 C ATOM 22 O SER A 3 9.176 13.357 -18.767 1.00 0.00 O ATOM 23 CB SER A 3 7.628 15.464 -17.991 1.00 0.00 C ATOM 24 OG SER A 3 7.377 16.528 -17.088 1.00 0.00 O ATOM 0 H SER A 3 8.933 17.527 -19.925 1.00 0.00 H new ATOM 0 HA SER A 3 9.609 16.266 -18.221 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.767 15.328 -18.646 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.757 14.535 -17.436 1.00 0.00 H new ATOM 0 HG SER A 3 6.573 16.329 -16.563 1.00 0.00 H new ATOM 30 N GLY A 4 10.369 14.504 -20.291 1.00 0.00 N ATOM 31 CA GLY A 4 11.014 13.313 -20.811 1.00 0.00 C ATOM 32 C GLY A 4 10.688 13.067 -22.271 1.00 0.00 C ATOM 33 O GLY A 4 11.575 13.085 -23.124 1.00 0.00 O ATOM 0 H GLY A 4 10.645 15.374 -20.746 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.094 13.408 -20.694 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.704 12.449 -20.222 1.00 0.00 H new ATOM 37 N SER A 5 9.411 12.836 -22.560 1.00 0.00 N ATOM 38 CA SER A 5 8.971 12.580 -23.926 1.00 0.00 C ATOM 39 C SER A 5 7.459 12.743 -24.049 1.00 0.00 C ATOM 40 O SER A 5 6.730 12.636 -23.063 1.00 0.00 O ATOM 41 CB SER A 5 9.381 11.172 -24.361 1.00 0.00 C ATOM 42 OG SER A 5 8.925 10.199 -23.437 1.00 0.00 O ATOM 0 H SER A 5 8.663 12.821 -21.866 1.00 0.00 H new ATOM 0 HA SER A 5 9.452 13.308 -24.579 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.972 10.960 -25.349 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.466 11.116 -24.447 1.00 0.00 H new ATOM 0 HG SER A 5 9.199 9.308 -23.739 1.00 0.00 H new ATOM 48 N SER A 6 6.995 13.002 -25.267 1.00 0.00 N ATOM 49 CA SER A 6 5.570 13.183 -25.520 1.00 0.00 C ATOM 50 C SER A 6 4.833 11.849 -25.456 1.00 0.00 C ATOM 51 O SER A 6 4.699 11.151 -26.460 1.00 0.00 O ATOM 52 CB SER A 6 5.352 13.834 -26.888 1.00 0.00 C ATOM 53 OG SER A 6 5.843 15.163 -26.904 1.00 0.00 O ATOM 0 H SER A 6 7.585 13.091 -26.094 1.00 0.00 H new ATOM 0 HA SER A 6 5.169 13.837 -24.746 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.855 13.248 -27.657 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.289 13.833 -27.130 1.00 0.00 H new ATOM 0 HG SER A 6 5.694 15.556 -27.789 1.00 0.00 H new ATOM 59 N GLY A 7 4.356 11.500 -24.264 1.00 0.00 N ATOM 60 CA GLY A 7 3.638 10.251 -24.089 1.00 0.00 C ATOM 61 C GLY A 7 4.212 9.405 -22.970 1.00 0.00 C ATOM 62 O GLY A 7 5.008 8.498 -23.214 1.00 0.00 O ATOM 0 H GLY A 7 4.454 12.060 -23.417 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.590 10.464 -23.878 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.667 9.685 -25.020 1.00 0.00 H new ATOM 66 N ARG A 8 3.807 9.702 -21.739 1.00 0.00 N ATOM 67 CA ARG A 8 4.289 8.963 -20.578 1.00 0.00 C ATOM 68 C ARG A 8 3.714 7.549 -20.557 1.00 0.00 C ATOM 69 O ARG A 8 2.497 7.363 -20.560 1.00 0.00 O ATOM 70 CB ARG A 8 3.914 9.697 -19.289 1.00 0.00 C ATOM 71 CG ARG A 8 4.716 10.967 -19.056 1.00 0.00 C ATOM 72 CD ARG A 8 3.992 11.919 -18.118 1.00 0.00 C ATOM 73 NE ARG A 8 4.141 11.528 -16.719 1.00 0.00 N ATOM 74 CZ ARG A 8 4.012 12.374 -15.702 1.00 0.00 C ATOM 75 NH1 ARG A 8 3.733 13.650 -15.928 1.00 0.00 N ATOM 76 NH2 ARG A 8 4.163 11.942 -14.456 1.00 0.00 N ATOM 0 H ARG A 8 3.147 10.448 -21.520 1.00 0.00 H new ATOM 0 HA ARG A 8 5.375 8.894 -20.646 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.854 9.947 -19.319 1.00 0.00 H new ATOM 0 HB3 ARG A 8 4.059 9.025 -18.443 1.00 0.00 H new ATOM 0 HG2 ARG A 8 5.689 10.712 -18.637 1.00 0.00 H new ATOM 0 HG3 ARG A 8 4.899 11.463 -20.009 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.380 12.928 -18.256 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.933 11.947 -18.376 1.00 0.00 H new ATOM 0 HE ARG A 8 4.356 10.553 -16.511 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.617 13.985 -16.884 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.635 14.297 -15.146 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.378 10.961 -14.279 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.064 12.591 -13.676 1.00 0.00 H new ATOM 90 N PHE A 9 4.598 6.558 -20.534 1.00 0.00 N ATOM 91 CA PHE A 9 4.180 5.161 -20.514 1.00 0.00 C ATOM 92 C PHE A 9 3.886 4.702 -19.088 1.00 0.00 C ATOM 93 O PHE A 9 2.808 4.181 -18.800 1.00 0.00 O ATOM 94 CB PHE A 9 5.260 4.273 -21.135 1.00 0.00 C ATOM 95 CG PHE A 9 5.262 4.293 -22.637 1.00 0.00 C ATOM 96 CD1 PHE A 9 4.131 3.925 -23.349 1.00 0.00 C ATOM 97 CD2 PHE A 9 6.394 4.679 -23.337 1.00 0.00 C ATOM 98 CE1 PHE A 9 4.129 3.942 -24.731 1.00 0.00 C ATOM 99 CE2 PHE A 9 6.397 4.698 -24.719 1.00 0.00 C ATOM 100 CZ PHE A 9 5.264 4.328 -25.417 1.00 0.00 C ATOM 0 H PHE A 9 5.609 6.696 -20.529 1.00 0.00 H new ATOM 0 HA PHE A 9 3.266 5.073 -21.102 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.236 4.596 -20.774 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.117 3.248 -20.793 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.241 3.621 -22.818 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.283 4.968 -22.797 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.241 3.654 -25.274 1.00 0.00 H new ATOM 0 HE2 PHE A 9 7.285 5.002 -25.253 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.266 4.340 -26.497 1.00 0.00 H new ATOM 110 N THR A 10 4.854 4.898 -18.199 1.00 0.00 N ATOM 111 CA THR A 10 4.702 4.504 -16.804 1.00 0.00 C ATOM 112 C THR A 10 4.830 5.706 -15.875 1.00 0.00 C ATOM 113 O THR A 10 5.565 6.650 -16.166 1.00 0.00 O ATOM 114 CB THR A 10 5.746 3.445 -16.402 1.00 0.00 C ATOM 115 OG1 THR A 10 7.043 3.836 -16.867 1.00 0.00 O ATOM 116 CG2 THR A 10 5.385 2.084 -16.976 1.00 0.00 C ATOM 0 H THR A 10 5.752 5.328 -18.420 1.00 0.00 H new ATOM 0 HA THR A 10 3.704 4.076 -16.704 1.00 0.00 H new ATOM 0 HB THR A 10 5.757 3.371 -15.315 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.702 3.159 -16.606 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.137 1.353 -16.679 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.410 1.777 -16.598 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.349 2.146 -18.064 1.00 0.00 H new ATOM 124 N TRP A 11 4.113 5.664 -14.759 1.00 0.00 N ATOM 125 CA TRP A 11 4.148 6.751 -13.787 1.00 0.00 C ATOM 126 C TRP A 11 5.584 7.165 -13.485 1.00 0.00 C ATOM 127 O TRP A 11 6.531 6.483 -13.874 1.00 0.00 O ATOM 128 CB TRP A 11 3.444 6.331 -12.495 1.00 0.00 C ATOM 129 CG TRP A 11 3.893 4.996 -11.981 1.00 0.00 C ATOM 130 CD1 TRP A 11 5.175 4.612 -11.711 1.00 0.00 C ATOM 131 CD2 TRP A 11 3.062 3.871 -11.677 1.00 0.00 C ATOM 132 NE1 TRP A 11 5.191 3.315 -11.257 1.00 0.00 N ATOM 133 CE2 TRP A 11 3.907 2.838 -11.226 1.00 0.00 C ATOM 134 CE3 TRP A 11 1.686 3.636 -11.739 1.00 0.00 C ATOM 135 CZ2 TRP A 11 3.420 1.592 -10.842 1.00 0.00 C ATOM 136 CZ3 TRP A 11 1.204 2.398 -11.359 1.00 0.00 C ATOM 137 CH2 TRP A 11 2.068 1.389 -10.914 1.00 0.00 C ATOM 0 H TRP A 11 3.500 4.890 -14.504 1.00 0.00 H new ATOM 0 HA TRP A 11 3.625 7.606 -14.217 1.00 0.00 H new ATOM 0 HB2 TRP A 11 3.624 7.086 -11.730 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.368 6.303 -12.668 1.00 0.00 H new ATOM 0 HD1 TRP A 11 6.048 5.236 -11.836 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.024 2.792 -10.987 1.00 0.00 H new ATOM 0 HE3 TRP A 11 1.011 4.408 -12.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.085 0.813 -10.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 0.142 2.205 -11.406 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.660 0.433 -10.622 1.00 0.00 H new ATOM 148 N SER A 12 5.738 8.288 -12.791 1.00 0.00 N ATOM 149 CA SER A 12 7.059 8.796 -12.441 1.00 0.00 C ATOM 150 C SER A 12 7.107 9.223 -10.977 1.00 0.00 C ATOM 151 O SER A 12 6.075 9.321 -10.314 1.00 0.00 O ATOM 152 CB SER A 12 7.430 9.976 -13.340 1.00 0.00 C ATOM 153 OG SER A 12 6.532 11.057 -13.160 1.00 0.00 O ATOM 0 H SER A 12 4.964 8.864 -12.460 1.00 0.00 H new ATOM 0 HA SER A 12 7.781 7.993 -12.591 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.446 10.302 -13.116 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.419 9.660 -14.383 1.00 0.00 H new ATOM 0 HG SER A 12 6.792 11.799 -13.745 1.00 0.00 H new ATOM 159 N MET A 13 8.313 9.475 -10.479 1.00 0.00 N ATOM 160 CA MET A 13 8.496 9.892 -9.094 1.00 0.00 C ATOM 161 C MET A 13 9.928 10.360 -8.852 1.00 0.00 C ATOM 162 O MET A 13 10.839 10.020 -9.607 1.00 0.00 O ATOM 163 CB MET A 13 8.155 8.744 -8.143 1.00 0.00 C ATOM 164 CG MET A 13 8.816 7.427 -8.519 1.00 0.00 C ATOM 165 SD MET A 13 10.437 7.222 -7.757 1.00 0.00 S ATOM 166 CE MET A 13 10.015 7.351 -6.021 1.00 0.00 C ATOM 0 H MET A 13 9.178 9.398 -11.014 1.00 0.00 H new ATOM 0 HA MET A 13 7.822 10.726 -8.900 1.00 0.00 H new ATOM 0 HB2 MET A 13 8.458 9.018 -7.132 1.00 0.00 H new ATOM 0 HB3 MET A 13 7.074 8.607 -8.125 1.00 0.00 H new ATOM 0 HG2 MET A 13 8.170 6.602 -8.218 1.00 0.00 H new ATOM 0 HG3 MET A 13 8.919 7.373 -9.603 1.00 0.00 H new ATOM 0 HE1 MET A 13 10.781 6.857 -5.423 1.00 0.00 H new ATOM 0 HE2 MET A 13 9.955 8.402 -5.738 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.052 6.872 -5.844 1.00 0.00 H new ATOM 176 N LYS A 14 10.120 11.141 -7.795 1.00 0.00 N ATOM 177 CA LYS A 14 11.441 11.655 -7.452 1.00 0.00 C ATOM 178 C LYS A 14 11.776 11.364 -5.993 1.00 0.00 C ATOM 179 O LYS A 14 12.817 11.785 -5.488 1.00 0.00 O ATOM 180 CB LYS A 14 11.507 13.162 -7.711 1.00 0.00 C ATOM 181 CG LYS A 14 10.564 13.971 -6.838 1.00 0.00 C ATOM 182 CD LYS A 14 10.233 15.314 -7.469 1.00 0.00 C ATOM 183 CE LYS A 14 9.403 16.180 -6.534 1.00 0.00 C ATOM 184 NZ LYS A 14 9.478 17.621 -6.900 1.00 0.00 N ATOM 0 H LYS A 14 9.377 11.432 -7.160 1.00 0.00 H new ATOM 0 HA LYS A 14 12.174 11.152 -8.082 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.528 13.506 -7.545 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.273 13.353 -8.758 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.645 13.408 -6.675 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.018 14.130 -5.860 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.156 15.834 -7.725 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.688 15.155 -8.400 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.364 15.852 -6.562 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.752 16.047 -5.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.899 18.178 -6.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.466 17.941 -6.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.121 17.752 -7.868 1.00 0.00 H new ATOM 198 N THR A 15 10.888 10.639 -5.320 1.00 0.00 N ATOM 199 CA THR A 15 11.090 10.291 -3.919 1.00 0.00 C ATOM 200 C THR A 15 11.803 8.950 -3.783 1.00 0.00 C ATOM 201 O THR A 15 11.291 8.023 -3.153 1.00 0.00 O ATOM 202 CB THR A 15 9.752 10.228 -3.157 1.00 0.00 C ATOM 203 OG1 THR A 15 9.027 11.449 -3.339 1.00 0.00 O ATOM 204 CG2 THR A 15 9.985 9.986 -1.674 1.00 0.00 C ATOM 0 H THR A 15 10.022 10.281 -5.723 1.00 0.00 H new ATOM 0 HA THR A 15 11.710 11.075 -3.485 1.00 0.00 H new ATOM 0 HB THR A 15 9.170 9.398 -3.557 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.384 11.342 -4.071 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.026 9.945 -1.157 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.511 9.041 -1.538 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.585 10.798 -1.263 1.00 0.00 H new ATOM 212 N THR A 16 12.989 8.853 -4.376 1.00 0.00 N ATOM 213 CA THR A 16 13.772 7.625 -4.321 1.00 0.00 C ATOM 214 C THR A 16 14.531 7.516 -3.004 1.00 0.00 C ATOM 215 O THR A 16 14.951 8.522 -2.432 1.00 0.00 O ATOM 216 CB THR A 16 14.776 7.546 -5.487 1.00 0.00 C ATOM 217 OG1 THR A 16 15.764 8.573 -5.352 1.00 0.00 O ATOM 218 CG2 THR A 16 14.064 7.692 -6.824 1.00 0.00 C ATOM 0 H THR A 16 13.428 9.610 -4.900 1.00 0.00 H new ATOM 0 HA THR A 16 13.068 6.797 -4.401 1.00 0.00 H new ATOM 0 HB THR A 16 15.261 6.570 -5.456 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.400 8.515 -6.096 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.793 7.633 -7.633 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.332 6.892 -6.936 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.556 8.656 -6.863 1.00 0.00 H new ATOM 226 N SER A 17 14.705 6.287 -2.526 1.00 0.00 N ATOM 227 CA SER A 17 15.412 6.047 -1.274 1.00 0.00 C ATOM 228 C SER A 17 16.611 5.130 -1.494 1.00 0.00 C ATOM 229 O SER A 17 16.696 4.433 -2.505 1.00 0.00 O ATOM 230 CB SER A 17 14.467 5.431 -0.240 1.00 0.00 C ATOM 231 OG SER A 17 15.027 5.487 1.060 1.00 0.00 O ATOM 0 H SER A 17 14.366 5.443 -2.987 1.00 0.00 H new ATOM 0 HA SER A 17 15.773 7.005 -0.900 1.00 0.00 H new ATOM 0 HB2 SER A 17 13.515 5.961 -0.252 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.259 4.395 -0.505 1.00 0.00 H new ATOM 0 HG SER A 17 14.582 4.831 1.636 1.00 0.00 H new ATOM 237 N SER A 18 17.536 5.136 -0.539 1.00 0.00 N ATOM 238 CA SER A 18 18.733 4.308 -0.629 1.00 0.00 C ATOM 239 C SER A 18 18.862 3.405 0.593 1.00 0.00 C ATOM 240 O SER A 18 19.643 3.682 1.504 1.00 0.00 O ATOM 241 CB SER A 18 19.978 5.187 -0.762 1.00 0.00 C ATOM 242 OG SER A 18 20.010 6.182 0.247 1.00 0.00 O ATOM 0 H SER A 18 17.479 5.705 0.306 1.00 0.00 H new ATOM 0 HA SER A 18 18.644 3.680 -1.515 1.00 0.00 H new ATOM 0 HB2 SER A 18 20.873 4.568 -0.695 1.00 0.00 H new ATOM 0 HB3 SER A 18 19.990 5.660 -1.744 1.00 0.00 H new ATOM 0 HG SER A 18 19.928 5.758 1.127 1.00 0.00 H new ATOM 248 N MET A 19 18.090 2.323 0.606 1.00 0.00 N ATOM 249 CA MET A 19 18.118 1.378 1.716 1.00 0.00 C ATOM 250 C MET A 19 17.294 0.135 1.393 1.00 0.00 C ATOM 251 O MET A 19 16.595 0.089 0.381 1.00 0.00 O ATOM 252 CB MET A 19 17.588 2.038 2.990 1.00 0.00 C ATOM 253 CG MET A 19 16.118 2.416 2.913 1.00 0.00 C ATOM 254 SD MET A 19 15.643 3.619 4.169 1.00 0.00 S ATOM 255 CE MET A 19 14.313 2.744 4.989 1.00 0.00 C ATOM 0 H MET A 19 17.438 2.079 -0.139 1.00 0.00 H new ATOM 0 HA MET A 19 19.153 1.075 1.876 1.00 0.00 H new ATOM 0 HB2 MET A 19 17.736 1.359 3.830 1.00 0.00 H new ATOM 0 HB3 MET A 19 18.174 2.933 3.196 1.00 0.00 H new ATOM 0 HG2 MET A 19 15.903 2.824 1.925 1.00 0.00 H new ATOM 0 HG3 MET A 19 15.510 1.519 3.027 1.00 0.00 H new ATOM 0 HE1 MET A 19 13.393 3.323 4.909 1.00 0.00 H new ATOM 0 HE2 MET A 19 14.172 1.772 4.517 1.00 0.00 H new ATOM 0 HE3 MET A 19 14.563 2.604 6.041 1.00 0.00 H new ATOM 265 N ASP A 20 17.382 -0.869 2.258 1.00 0.00 N ATOM 266 CA ASP A 20 16.644 -2.112 2.065 1.00 0.00 C ATOM 267 C ASP A 20 15.140 -1.856 2.069 1.00 0.00 C ATOM 268 O ASP A 20 14.641 -0.953 2.740 1.00 0.00 O ATOM 269 CB ASP A 20 17.006 -3.120 3.157 1.00 0.00 C ATOM 270 CG ASP A 20 18.283 -3.875 2.847 1.00 0.00 C ATOM 271 OD1 ASP A 20 18.471 -4.269 1.676 1.00 0.00 O ATOM 272 OD2 ASP A 20 19.095 -4.072 3.774 1.00 0.00 O ATOM 0 H ASP A 20 17.957 -0.847 3.100 1.00 0.00 H new ATOM 0 HA ASP A 20 16.922 -2.525 1.095 1.00 0.00 H new ATOM 0 HB2 ASP A 20 17.118 -2.598 4.107 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.188 -3.830 3.278 1.00 0.00 H new ATOM 277 N PRO A 21 14.399 -2.670 1.302 1.00 0.00 N ATOM 278 CA PRO A 21 12.941 -2.551 1.200 1.00 0.00 C ATOM 279 C PRO A 21 12.235 -2.961 2.488 1.00 0.00 C ATOM 280 O PRO A 21 11.269 -2.324 2.907 1.00 0.00 O ATOM 281 CB PRO A 21 12.586 -3.515 0.065 1.00 0.00 C ATOM 282 CG PRO A 21 13.691 -4.514 0.056 1.00 0.00 C ATOM 283 CD PRO A 21 14.927 -3.768 0.476 1.00 0.00 C ATOM 0 HA PRO A 21 12.627 -1.523 1.019 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.622 -3.993 0.239 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.516 -2.994 -0.890 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.480 -5.336 0.740 1.00 0.00 H new ATOM 0 HG3 PRO A 21 13.816 -4.949 -0.936 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.608 -4.404 1.041 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.482 -3.393 -0.384 1.00 0.00 H new ATOM 291 N SER A 22 12.723 -4.029 3.111 1.00 0.00 N ATOM 292 CA SER A 22 12.136 -4.526 4.350 1.00 0.00 C ATOM 293 C SER A 22 11.936 -3.391 5.350 1.00 0.00 C ATOM 294 O SER A 22 11.121 -3.493 6.267 1.00 0.00 O ATOM 295 CB SER A 22 13.026 -5.609 4.962 1.00 0.00 C ATOM 296 OG SER A 22 12.285 -6.445 5.834 1.00 0.00 O ATOM 0 H SER A 22 13.523 -4.567 2.778 1.00 0.00 H new ATOM 0 HA SER A 22 11.162 -4.956 4.115 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.471 -6.209 4.169 1.00 0.00 H new ATOM 0 HB3 SER A 22 13.846 -5.144 5.509 1.00 0.00 H new ATOM 0 HG SER A 22 12.876 -7.130 6.211 1.00 0.00 H new ATOM 302 N ASP A 23 12.686 -2.310 5.166 1.00 0.00 N ATOM 303 CA ASP A 23 12.591 -1.154 6.050 1.00 0.00 C ATOM 304 C ASP A 23 11.590 -0.137 5.511 1.00 0.00 C ATOM 305 O ASP A 23 10.870 0.505 6.274 1.00 0.00 O ATOM 306 CB ASP A 23 13.963 -0.499 6.216 1.00 0.00 C ATOM 307 CG ASP A 23 14.812 -1.190 7.265 1.00 0.00 C ATOM 308 OD1 ASP A 23 14.286 -1.470 8.363 1.00 0.00 O ATOM 309 OD2 ASP A 23 16.002 -1.450 6.989 1.00 0.00 O ATOM 0 H ASP A 23 13.366 -2.210 4.413 1.00 0.00 H new ATOM 0 HA ASP A 23 12.241 -1.500 7.023 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.488 -0.514 5.261 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.832 0.548 6.491 1.00 0.00 H new ATOM 314 N MET A 24 11.551 0.004 4.190 1.00 0.00 N ATOM 315 CA MET A 24 10.638 0.942 3.548 1.00 0.00 C ATOM 316 C MET A 24 9.205 0.716 4.021 1.00 0.00 C ATOM 317 O MET A 24 8.601 1.591 4.639 1.00 0.00 O ATOM 318 CB MET A 24 10.714 0.802 2.027 1.00 0.00 C ATOM 319 CG MET A 24 11.785 1.671 1.389 1.00 0.00 C ATOM 320 SD MET A 24 11.180 3.314 0.957 1.00 0.00 S ATOM 321 CE MET A 24 10.979 3.146 -0.815 1.00 0.00 C ATOM 0 H MET A 24 12.141 -0.520 3.543 1.00 0.00 H new ATOM 0 HA MET A 24 10.939 1.952 3.827 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.907 -0.241 1.776 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.746 1.060 1.598 1.00 0.00 H new ATOM 0 HG2 MET A 24 12.626 1.767 2.075 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.160 1.179 0.492 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.960 4.134 -1.274 1.00 0.00 H new ATOM 0 HE2 MET A 24 11.811 2.572 -1.223 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.043 2.629 -1.028 1.00 0.00 H new ATOM 331 N MET A 25 8.669 -0.463 3.724 1.00 0.00 N ATOM 332 CA MET A 25 7.307 -0.804 4.120 1.00 0.00 C ATOM 333 C MET A 25 7.010 -0.306 5.531 1.00 0.00 C ATOM 334 O MET A 25 5.922 0.200 5.805 1.00 0.00 O ATOM 335 CB MET A 25 7.095 -2.317 4.046 1.00 0.00 C ATOM 336 CG MET A 25 6.814 -2.823 2.640 1.00 0.00 C ATOM 337 SD MET A 25 5.288 -2.152 1.953 1.00 0.00 S ATOM 338 CE MET A 25 4.112 -3.410 2.446 1.00 0.00 C ATOM 0 H MET A 25 9.156 -1.198 3.211 1.00 0.00 H new ATOM 0 HA MET A 25 6.621 -0.314 3.429 1.00 0.00 H new ATOM 0 HB2 MET A 25 7.981 -2.819 4.434 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.263 -2.591 4.695 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.648 -2.559 1.990 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.754 -3.911 2.655 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.188 -3.286 1.881 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.530 -4.397 2.246 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.902 -3.314 3.511 1.00 0.00 H new ATOM 348 N ARG A 26 7.985 -0.453 6.423 1.00 0.00 N ATOM 349 CA ARG A 26 7.827 -0.019 7.806 1.00 0.00 C ATOM 350 C ARG A 26 7.695 1.499 7.888 1.00 0.00 C ATOM 351 O ARG A 26 6.730 2.018 8.446 1.00 0.00 O ATOM 352 CB ARG A 26 9.015 -0.485 8.648 1.00 0.00 C ATOM 353 CG ARG A 26 8.742 -0.481 10.143 1.00 0.00 C ATOM 354 CD ARG A 26 9.973 -0.890 10.936 1.00 0.00 C ATOM 355 NE ARG A 26 10.005 -0.268 12.257 1.00 0.00 N ATOM 356 CZ ARG A 26 10.694 -0.756 13.283 1.00 0.00 C ATOM 357 NH1 ARG A 26 11.405 -1.866 13.140 1.00 0.00 N ATOM 358 NH2 ARG A 26 10.674 -0.133 14.454 1.00 0.00 N ATOM 0 H ARG A 26 8.892 -0.869 6.212 1.00 0.00 H new ATOM 0 HA ARG A 26 6.914 -0.467 8.199 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.294 -1.493 8.341 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.870 0.159 8.442 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.423 0.514 10.453 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.921 -1.163 10.366 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.990 -1.974 11.045 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.870 -0.612 10.382 1.00 0.00 H new ATOM 0 HE ARG A 26 9.469 0.588 12.400 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.424 -2.347 12.241 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.933 -2.239 13.929 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.129 0.722 14.568 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.203 -0.509 15.241 1.00 0.00 H new ATOM 372 N GLU A 27 8.674 2.203 7.328 1.00 0.00 N ATOM 373 CA GLU A 27 8.668 3.662 7.340 1.00 0.00 C ATOM 374 C GLU A 27 7.390 4.205 6.708 1.00 0.00 C ATOM 375 O GLU A 27 6.700 5.039 7.296 1.00 0.00 O ATOM 376 CB GLU A 27 9.889 4.205 6.595 1.00 0.00 C ATOM 377 CG GLU A 27 10.035 5.715 6.686 1.00 0.00 C ATOM 378 CD GLU A 27 10.706 6.160 7.971 1.00 0.00 C ATOM 379 OE1 GLU A 27 9.995 6.331 8.983 1.00 0.00 O ATOM 380 OE2 GLU A 27 11.942 6.336 7.964 1.00 0.00 O ATOM 0 H GLU A 27 9.480 1.788 6.861 1.00 0.00 H new ATOM 0 HA GLU A 27 8.709 3.992 8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.787 3.737 6.997 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.822 3.917 5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.615 6.072 5.835 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.050 6.176 6.616 1.00 0.00 H new ATOM 387 N ILE A 28 7.081 3.727 5.508 1.00 0.00 N ATOM 388 CA ILE A 28 5.886 4.165 4.796 1.00 0.00 C ATOM 389 C ILE A 28 4.677 4.203 5.724 1.00 0.00 C ATOM 390 O ILE A 28 4.042 5.245 5.892 1.00 0.00 O ATOM 391 CB ILE A 28 5.573 3.244 3.602 1.00 0.00 C ATOM 392 CG1 ILE A 28 6.634 3.408 2.512 1.00 0.00 C ATOM 393 CG2 ILE A 28 4.188 3.545 3.050 1.00 0.00 C ATOM 394 CD1 ILE A 28 6.635 2.287 1.496 1.00 0.00 C ATOM 0 H ILE A 28 7.641 3.037 5.008 1.00 0.00 H new ATOM 0 HA ILE A 28 6.089 5.170 4.426 1.00 0.00 H new ATOM 0 HB ILE A 28 5.589 2.210 3.946 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.470 4.354 1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 28 7.617 3.465 2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.981 2.886 2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.443 3.382 3.829 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.146 4.583 2.719 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.412 2.469 0.754 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.829 1.340 1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.664 2.243 1.002 1.00 0.00 H new ATOM 406 N ARG A 29 4.364 3.061 6.327 1.00 0.00 N ATOM 407 CA ARG A 29 3.231 2.964 7.240 1.00 0.00 C ATOM 408 C ARG A 29 3.373 3.955 8.391 1.00 0.00 C ATOM 409 O ARG A 29 2.408 4.610 8.783 1.00 0.00 O ATOM 410 CB ARG A 29 3.112 1.541 7.790 1.00 0.00 C ATOM 411 CG ARG A 29 2.407 0.580 6.846 1.00 0.00 C ATOM 412 CD ARG A 29 2.542 -0.860 7.315 1.00 0.00 C ATOM 413 NE ARG A 29 3.930 -1.315 7.294 1.00 0.00 N ATOM 414 CZ ARG A 29 4.343 -2.440 7.866 1.00 0.00 C ATOM 415 NH1 ARG A 29 3.479 -3.222 8.500 1.00 0.00 N ATOM 416 NH2 ARG A 29 5.622 -2.786 7.805 1.00 0.00 N ATOM 0 H ARG A 29 4.879 2.190 6.200 1.00 0.00 H new ATOM 0 HA ARG A 29 2.326 3.208 6.683 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.110 1.159 8.005 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.571 1.570 8.736 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.352 0.844 6.777 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.826 0.679 5.845 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.146 -0.950 8.327 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.939 -1.507 6.678 1.00 0.00 H new ATOM 0 HE ARG A 29 4.620 -0.737 6.814 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.495 -2.960 8.549 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.799 -4.086 8.938 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.290 -2.188 7.318 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.938 -3.650 8.245 1.00 0.00 H new ATOM 430 N LYS A 30 4.584 4.060 8.928 1.00 0.00 N ATOM 431 CA LYS A 30 4.854 4.971 10.034 1.00 0.00 C ATOM 432 C LYS A 30 4.443 6.396 9.677 1.00 0.00 C ATOM 433 O LYS A 30 3.782 7.077 10.461 1.00 0.00 O ATOM 434 CB LYS A 30 6.340 4.934 10.400 1.00 0.00 C ATOM 435 CG LYS A 30 6.734 5.963 11.446 1.00 0.00 C ATOM 436 CD LYS A 30 8.037 5.589 12.133 1.00 0.00 C ATOM 437 CE LYS A 30 8.743 6.814 12.694 1.00 0.00 C ATOM 438 NZ LYS A 30 9.697 6.455 13.779 1.00 0.00 N ATOM 0 H LYS A 30 5.394 3.525 8.615 1.00 0.00 H new ATOM 0 HA LYS A 30 4.266 4.646 10.892 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.590 3.939 10.769 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.932 5.098 9.499 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.837 6.941 10.975 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.941 6.049 12.189 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.835 4.883 12.939 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.692 5.084 11.423 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.279 7.323 11.893 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.003 7.516 13.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.158 7.317 14.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.182 5.992 14.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.418 5.805 13.406 1.00 0.00 H new ATOM 452 N VAL A 31 4.838 6.841 8.488 1.00 0.00 N ATOM 453 CA VAL A 31 4.508 8.184 8.027 1.00 0.00 C ATOM 454 C VAL A 31 3.003 8.352 7.854 1.00 0.00 C ATOM 455 O VAL A 31 2.399 9.265 8.419 1.00 0.00 O ATOM 456 CB VAL A 31 5.206 8.507 6.692 1.00 0.00 C ATOM 457 CG1 VAL A 31 4.738 9.851 6.155 1.00 0.00 C ATOM 458 CG2 VAL A 31 6.718 8.489 6.864 1.00 0.00 C ATOM 0 H VAL A 31 5.387 6.291 7.827 1.00 0.00 H new ATOM 0 HA VAL A 31 4.862 8.876 8.791 1.00 0.00 H new ATOM 0 HB VAL A 31 4.936 7.740 5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.242 10.061 5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.661 9.823 5.992 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.975 10.633 6.876 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.195 8.719 5.911 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.009 9.234 7.605 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.034 7.501 7.199 1.00 0.00 H new ATOM 468 N LEU A 32 2.401 7.465 7.069 1.00 0.00 N ATOM 469 CA LEU A 32 0.964 7.513 6.821 1.00 0.00 C ATOM 470 C LEU A 32 0.193 7.703 8.123 1.00 0.00 C ATOM 471 O LEU A 32 -0.627 8.612 8.244 1.00 0.00 O ATOM 472 CB LEU A 32 0.504 6.232 6.124 1.00 0.00 C ATOM 473 CG LEU A 32 0.983 6.041 4.685 1.00 0.00 C ATOM 474 CD1 LEU A 32 0.726 4.615 4.221 1.00 0.00 C ATOM 475 CD2 LEU A 32 0.299 7.036 3.759 1.00 0.00 C ATOM 0 H LEU A 32 2.886 6.704 6.593 1.00 0.00 H new ATOM 0 HA LEU A 32 0.760 8.365 6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.842 5.380 6.714 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.586 6.211 6.129 1.00 0.00 H new ATOM 0 HG LEU A 32 2.057 6.224 4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.074 4.498 3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.262 3.920 4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.342 4.404 4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.652 6.886 2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.780 6.885 3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.534 8.051 4.078 1.00 0.00 H new ATOM 487 N GLY A 33 0.464 6.839 9.097 1.00 0.00 N ATOM 488 CA GLY A 33 -0.212 6.930 10.378 1.00 0.00 C ATOM 489 C GLY A 33 -0.143 8.323 10.972 1.00 0.00 C ATOM 490 O GLY A 33 -1.085 8.774 11.623 1.00 0.00 O ATOM 0 H GLY A 33 1.139 6.078 9.022 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.256 6.642 10.256 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.236 6.219 11.073 1.00 0.00 H new ATOM 494 N ALA A 34 0.976 9.005 10.749 1.00 0.00 N ATOM 495 CA ALA A 34 1.163 10.355 11.267 1.00 0.00 C ATOM 496 C ALA A 34 0.288 11.356 10.520 1.00 0.00 C ATOM 497 O ALA A 34 -0.193 12.328 11.101 1.00 0.00 O ATOM 498 CB ALA A 34 2.628 10.757 11.172 1.00 0.00 C ATOM 0 H ALA A 34 1.766 8.645 10.214 1.00 0.00 H new ATOM 0 HA ALA A 34 0.862 10.361 12.315 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.754 11.767 11.562 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.234 10.064 11.756 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.946 10.728 10.130 1.00 0.00 H new ATOM 504 N ASN A 35 0.086 11.111 9.230 1.00 0.00 N ATOM 505 CA ASN A 35 -0.730 11.993 8.403 1.00 0.00 C ATOM 506 C ASN A 35 -2.194 11.561 8.429 1.00 0.00 C ATOM 507 O ASN A 35 -2.921 11.742 7.454 1.00 0.00 O ATOM 508 CB ASN A 35 -0.214 11.999 6.963 1.00 0.00 C ATOM 509 CG ASN A 35 1.198 12.543 6.857 1.00 0.00 C ATOM 510 OD1 ASN A 35 1.427 13.742 7.021 1.00 0.00 O ATOM 511 ND2 ASN A 35 2.152 11.662 6.583 1.00 0.00 N ATOM 0 H ASN A 35 0.476 10.309 8.734 1.00 0.00 H new ATOM 0 HA ASN A 35 -0.659 13.001 8.811 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.240 10.984 6.566 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.880 12.600 6.344 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.121 11.969 6.500 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.916 10.678 6.455 1.00 0.00 H new ATOM 518 N ASN A 36 -2.617 10.990 9.552 1.00 0.00 N ATOM 519 CA ASN A 36 -3.993 10.532 9.705 1.00 0.00 C ATOM 520 C ASN A 36 -4.445 9.746 8.478 1.00 0.00 C ATOM 521 O ASN A 36 -5.633 9.708 8.156 1.00 0.00 O ATOM 522 CB ASN A 36 -4.926 11.723 9.934 1.00 0.00 C ATOM 523 CG ASN A 36 -4.971 12.151 11.388 1.00 0.00 C ATOM 524 OD1 ASN A 36 -5.174 11.329 12.282 1.00 0.00 O ATOM 525 ND2 ASN A 36 -4.783 13.443 11.631 1.00 0.00 N ATOM 0 H ASN A 36 -2.027 10.833 10.369 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.036 9.873 10.572 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.597 12.562 9.321 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.931 11.462 9.604 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.804 13.790 12.590 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.618 14.088 10.859 1.00 0.00 H new ATOM 532 N CYS A 37 -3.490 9.122 7.798 1.00 0.00 N ATOM 533 CA CYS A 37 -3.789 8.337 6.605 1.00 0.00 C ATOM 534 C CYS A 37 -4.138 6.899 6.975 1.00 0.00 C ATOM 535 O CYS A 37 -3.578 6.335 7.915 1.00 0.00 O ATOM 536 CB CYS A 37 -2.598 8.355 5.646 1.00 0.00 C ATOM 537 SG CYS A 37 -2.236 9.983 4.949 1.00 0.00 S ATOM 0 H CYS A 37 -2.502 9.144 8.052 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.651 8.786 6.111 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.715 7.993 6.173 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.791 7.657 4.831 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.460 10.898 5.845 1.00 0.00 H new ATOM 543 N ASP A 38 -5.068 6.312 6.230 1.00 0.00 N ATOM 544 CA ASP A 38 -5.494 4.939 6.479 1.00 0.00 C ATOM 545 C ASP A 38 -4.865 3.984 5.470 1.00 0.00 C ATOM 546 O ASP A 38 -5.165 4.038 4.277 1.00 0.00 O ATOM 547 CB ASP A 38 -7.018 4.836 6.416 1.00 0.00 C ATOM 548 CG ASP A 38 -7.683 5.295 7.699 1.00 0.00 C ATOM 549 OD1 ASP A 38 -7.806 6.521 7.897 1.00 0.00 O ATOM 550 OD2 ASP A 38 -8.079 4.427 8.506 1.00 0.00 O ATOM 0 H ASP A 38 -5.542 6.765 5.449 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.160 4.656 7.477 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.386 5.437 5.584 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.301 3.803 6.213 1.00 0.00 H new ATOM 555 N TYR A 39 -3.990 3.110 5.956 1.00 0.00 N ATOM 556 CA TYR A 39 -3.316 2.145 5.096 1.00 0.00 C ATOM 557 C TYR A 39 -3.852 0.736 5.333 1.00 0.00 C ATOM 558 O TYR A 39 -4.248 0.391 6.446 1.00 0.00 O ATOM 559 CB TYR A 39 -1.807 2.176 5.344 1.00 0.00 C ATOM 560 CG TYR A 39 -1.434 2.193 6.809 1.00 0.00 C ATOM 561 CD1 TYR A 39 -1.382 3.386 7.519 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.132 1.016 7.483 1.00 0.00 C ATOM 563 CE1 TYR A 39 -1.041 3.406 8.858 1.00 0.00 C ATOM 564 CE2 TYR A 39 -0.792 1.026 8.821 1.00 0.00 C ATOM 565 CZ TYR A 39 -0.747 2.224 9.504 1.00 0.00 C ATOM 566 OH TYR A 39 -0.407 2.239 10.838 1.00 0.00 O ATOM 0 H TYR A 39 -3.731 3.050 6.941 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.513 2.420 4.060 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.352 1.305 4.872 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.386 3.057 4.860 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.612 4.314 7.016 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.164 0.077 6.951 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.005 4.342 9.395 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.563 0.102 9.330 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.231 1.324 11.141 1.00 0.00 H new ATOM 576 N GLU A 40 -3.861 -0.072 4.278 1.00 0.00 N ATOM 577 CA GLU A 40 -4.349 -1.443 4.370 1.00 0.00 C ATOM 578 C GLU A 40 -3.489 -2.384 3.531 1.00 0.00 C ATOM 579 O GLU A 40 -3.097 -2.051 2.413 1.00 0.00 O ATOM 580 CB GLU A 40 -5.806 -1.522 3.912 1.00 0.00 C ATOM 581 CG GLU A 40 -6.808 -1.217 5.013 1.00 0.00 C ATOM 582 CD GLU A 40 -8.232 -1.553 4.616 1.00 0.00 C ATOM 583 OE1 GLU A 40 -8.592 -1.321 3.444 1.00 0.00 O ATOM 584 OE2 GLU A 40 -8.986 -2.049 5.480 1.00 0.00 O ATOM 0 H GLU A 40 -3.536 0.199 3.350 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.287 -1.754 5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.958 -0.822 3.090 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.001 -2.521 3.521 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.542 -1.780 5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.747 -0.160 5.272 1.00 0.00 H new ATOM 591 N GLN A 41 -3.200 -3.560 4.080 1.00 0.00 N ATOM 592 CA GLN A 41 -2.386 -4.549 3.383 1.00 0.00 C ATOM 593 C GLN A 41 -3.135 -5.123 2.184 1.00 0.00 C ATOM 594 O GLN A 41 -3.978 -6.007 2.333 1.00 0.00 O ATOM 595 CB GLN A 41 -1.986 -5.675 4.337 1.00 0.00 C ATOM 596 CG GLN A 41 -0.687 -6.365 3.954 1.00 0.00 C ATOM 597 CD GLN A 41 -0.879 -7.415 2.878 1.00 0.00 C ATOM 598 OE1 GLN A 41 -1.994 -7.879 2.638 1.00 0.00 O ATOM 599 NE2 GLN A 41 0.211 -7.797 2.221 1.00 0.00 N ATOM 0 H GLN A 41 -3.517 -3.851 5.005 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.486 -4.052 3.022 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.889 -5.269 5.344 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.786 -6.415 4.367 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.027 -5.619 3.605 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.254 -6.832 4.838 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.116 -7.387 2.452 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.143 -8.501 1.486 1.00 0.00 H new ATOM 608 N ARG A 42 -2.820 -4.614 0.998 1.00 0.00 N ATOM 609 CA ARG A 42 -3.464 -5.075 -0.226 1.00 0.00 C ATOM 610 C ARG A 42 -2.735 -6.286 -0.801 1.00 0.00 C ATOM 611 O ARG A 42 -3.265 -7.397 -0.804 1.00 0.00 O ATOM 612 CB ARG A 42 -3.503 -3.950 -1.263 1.00 0.00 C ATOM 613 CG ARG A 42 -4.685 -3.009 -1.096 1.00 0.00 C ATOM 614 CD ARG A 42 -6.001 -3.710 -1.393 1.00 0.00 C ATOM 615 NE ARG A 42 -7.018 -2.782 -1.880 1.00 0.00 N ATOM 616 CZ ARG A 42 -8.209 -3.164 -2.328 1.00 0.00 C ATOM 617 NH1 ARG A 42 -8.530 -4.451 -2.351 1.00 0.00 N ATOM 618 NH2 ARG A 42 -9.081 -2.260 -2.754 1.00 0.00 N ATOM 0 H ARG A 42 -2.123 -3.882 0.858 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.485 -5.369 0.019 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.579 -3.375 -1.198 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.536 -4.388 -2.261 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.701 -2.620 -0.078 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.568 -2.154 -1.762 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.836 -4.490 -2.136 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.362 -4.202 -0.490 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.802 -1.785 -1.876 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.862 -5.149 -2.024 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.445 -4.742 -2.695 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.838 -1.270 -2.738 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.995 -2.555 -3.098 1.00 0.00 H new ATOM 632 N GLU A 43 -1.518 -6.062 -1.287 1.00 0.00 N ATOM 633 CA GLU A 43 -0.718 -7.135 -1.865 1.00 0.00 C ATOM 634 C GLU A 43 0.540 -7.383 -1.038 1.00 0.00 C ATOM 635 O GLU A 43 0.767 -6.725 -0.022 1.00 0.00 O ATOM 636 CB GLU A 43 -0.335 -6.795 -3.307 1.00 0.00 C ATOM 637 CG GLU A 43 -1.487 -6.244 -4.129 1.00 0.00 C ATOM 638 CD GLU A 43 -1.111 -6.013 -5.580 1.00 0.00 C ATOM 639 OE1 GLU A 43 -0.005 -6.434 -5.980 1.00 0.00 O ATOM 640 OE2 GLU A 43 -1.922 -5.413 -6.316 1.00 0.00 O ATOM 0 H GLU A 43 -1.065 -5.148 -1.292 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.319 -8.044 -1.861 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.474 -6.065 -3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.051 -7.691 -3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.327 -6.937 -4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.824 -5.305 -3.691 1.00 0.00 H new ATOM 647 N ARG A 44 1.354 -8.336 -1.480 1.00 0.00 N ATOM 648 CA ARG A 44 2.587 -8.672 -0.780 1.00 0.00 C ATOM 649 C ARG A 44 3.377 -7.413 -0.435 1.00 0.00 C ATOM 650 O ARG A 44 3.842 -7.249 0.694 1.00 0.00 O ATOM 651 CB ARG A 44 3.445 -9.607 -1.634 1.00 0.00 C ATOM 652 CG ARG A 44 4.322 -10.545 -0.820 1.00 0.00 C ATOM 653 CD ARG A 44 5.620 -9.872 -0.403 1.00 0.00 C ATOM 654 NE ARG A 44 6.523 -10.798 0.275 1.00 0.00 N ATOM 655 CZ ARG A 44 7.353 -11.615 -0.364 1.00 0.00 C ATOM 656 NH1 ARG A 44 7.394 -11.621 -1.689 1.00 0.00 N ATOM 657 NH2 ARG A 44 8.144 -12.429 0.324 1.00 0.00 N ATOM 0 H ARG A 44 1.181 -8.889 -2.320 1.00 0.00 H new ATOM 0 HA ARG A 44 2.322 -9.179 0.148 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.793 -10.199 -2.276 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.078 -9.008 -2.289 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.780 -10.874 0.067 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.545 -11.437 -1.406 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.115 -9.462 -1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.398 -9.034 0.257 1.00 0.00 H new ATOM 0 HE ARG A 44 6.516 -10.819 1.295 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.787 -10.997 -2.221 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.032 -12.250 -2.177 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.115 -12.427 1.344 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.781 -13.056 -0.167 1.00 0.00 H new ATOM 671 N PHE A 45 3.526 -6.527 -1.414 1.00 0.00 N ATOM 672 CA PHE A 45 4.260 -5.283 -1.215 1.00 0.00 C ATOM 673 C PHE A 45 3.445 -4.087 -1.696 1.00 0.00 C ATOM 674 O PHE A 45 3.994 -3.119 -2.225 1.00 0.00 O ATOM 675 CB PHE A 45 5.599 -5.333 -1.954 1.00 0.00 C ATOM 676 CG PHE A 45 6.669 -6.077 -1.207 1.00 0.00 C ATOM 677 CD1 PHE A 45 7.298 -5.501 -0.114 1.00 0.00 C ATOM 678 CD2 PHE A 45 7.046 -7.352 -1.596 1.00 0.00 C ATOM 679 CE1 PHE A 45 8.283 -6.182 0.574 1.00 0.00 C ATOM 680 CE2 PHE A 45 8.031 -8.039 -0.911 1.00 0.00 C ATOM 681 CZ PHE A 45 8.649 -7.453 0.176 1.00 0.00 C ATOM 0 H PHE A 45 3.148 -6.648 -2.354 1.00 0.00 H new ATOM 0 HA PHE A 45 4.446 -5.167 -0.147 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.451 -5.804 -2.926 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.939 -4.315 -2.142 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.014 -4.508 0.203 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.565 -7.815 -2.445 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.767 -5.721 1.423 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.317 -9.032 -1.225 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.418 -7.988 0.714 1.00 0.00 H new ATOM 691 N LEU A 46 2.132 -4.161 -1.510 1.00 0.00 N ATOM 692 CA LEU A 46 1.239 -3.084 -1.926 1.00 0.00 C ATOM 693 C LEU A 46 0.192 -2.801 -0.853 1.00 0.00 C ATOM 694 O LEU A 46 -0.469 -3.715 -0.358 1.00 0.00 O ATOM 695 CB LEU A 46 0.551 -3.446 -3.243 1.00 0.00 C ATOM 696 CG LEU A 46 -0.118 -2.291 -3.990 1.00 0.00 C ATOM 697 CD1 LEU A 46 0.914 -1.490 -4.768 1.00 0.00 C ATOM 698 CD2 LEU A 46 -1.202 -2.815 -4.921 1.00 0.00 C ATOM 0 H LEU A 46 1.662 -4.954 -1.074 1.00 0.00 H new ATOM 0 HA LEU A 46 1.837 -2.184 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.290 -3.900 -3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.203 -4.206 -3.039 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.584 -1.631 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.420 -0.673 -5.293 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.654 -1.084 -4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.409 -2.139 -5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.667 -1.980 -5.444 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.760 -3.497 -5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.957 -3.344 -4.339 1.00 0.00 H new ATOM 710 N LEU A 47 0.044 -1.529 -0.500 1.00 0.00 N ATOM 711 CA LEU A 47 -0.925 -1.124 0.513 1.00 0.00 C ATOM 712 C LEU A 47 -1.978 -0.194 -0.082 1.00 0.00 C ATOM 713 O LEU A 47 -1.803 0.339 -1.178 1.00 0.00 O ATOM 714 CB LEU A 47 -0.215 -0.430 1.677 1.00 0.00 C ATOM 715 CG LEU A 47 0.812 -1.272 2.434 1.00 0.00 C ATOM 716 CD1 LEU A 47 1.790 -0.377 3.181 1.00 0.00 C ATOM 717 CD2 LEU A 47 0.117 -2.224 3.396 1.00 0.00 C ATOM 0 H LEU A 47 0.582 -0.760 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.424 -2.020 0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.286 0.459 1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.970 -0.090 2.386 1.00 0.00 H new ATOM 0 HG LEU A 47 1.372 -1.864 1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.514 -0.994 3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.313 0.263 2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.245 0.241 3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.864 -2.815 3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.469 -1.651 4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.542 -2.889 2.838 1.00 0.00 H new ATOM 729 N PHE A 48 -3.071 -0.003 0.649 1.00 0.00 N ATOM 730 CA PHE A 48 -4.153 0.863 0.194 1.00 0.00 C ATOM 731 C PHE A 48 -4.297 2.077 1.106 1.00 0.00 C ATOM 732 O PHE A 48 -4.901 1.995 2.177 1.00 0.00 O ATOM 733 CB PHE A 48 -5.471 0.087 0.147 1.00 0.00 C ATOM 734 CG PHE A 48 -6.618 0.886 -0.401 1.00 0.00 C ATOM 735 CD1 PHE A 48 -6.766 1.063 -1.768 1.00 0.00 C ATOM 736 CD2 PHE A 48 -7.549 1.461 0.449 1.00 0.00 C ATOM 737 CE1 PHE A 48 -7.820 1.799 -2.275 1.00 0.00 C ATOM 738 CE2 PHE A 48 -8.605 2.197 -0.052 1.00 0.00 C ATOM 739 CZ PHE A 48 -8.741 2.366 -1.416 1.00 0.00 C ATOM 0 H PHE A 48 -3.231 -0.436 1.559 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.909 1.211 -0.810 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.336 -0.806 -0.464 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.721 -0.250 1.153 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.049 0.621 -2.444 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.448 1.332 1.516 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.923 1.931 -3.342 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -9.323 2.640 0.622 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.566 2.941 -1.810 1.00 0.00 H new ATOM 749 N CYS A 49 -3.738 3.203 0.675 1.00 0.00 N ATOM 750 CA CYS A 49 -3.803 4.435 1.453 1.00 0.00 C ATOM 751 C CYS A 49 -5.130 5.152 1.227 1.00 0.00 C ATOM 752 O CYS A 49 -5.713 5.075 0.145 1.00 0.00 O ATOM 753 CB CYS A 49 -2.641 5.358 1.083 1.00 0.00 C ATOM 754 SG CYS A 49 -1.014 4.577 1.194 1.00 0.00 S ATOM 0 H CYS A 49 -3.235 3.288 -0.208 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.728 4.173 2.508 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.789 5.721 0.066 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.660 6.229 1.738 1.00 0.00 H new ATOM 0 HG CYS A 49 -0.106 5.404 0.768 1.00 0.00 H new ATOM 760 N VAL A 50 -5.603 5.850 2.255 1.00 0.00 N ATOM 761 CA VAL A 50 -6.861 6.580 2.169 1.00 0.00 C ATOM 762 C VAL A 50 -6.795 7.884 2.955 1.00 0.00 C ATOM 763 O VAL A 50 -6.401 7.899 4.122 1.00 0.00 O ATOM 764 CB VAL A 50 -8.038 5.736 2.694 1.00 0.00 C ATOM 765 CG1 VAL A 50 -9.247 6.617 2.968 1.00 0.00 C ATOM 766 CG2 VAL A 50 -8.384 4.633 1.705 1.00 0.00 C ATOM 0 H VAL A 50 -5.133 5.925 3.157 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.025 6.803 1.115 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.739 5.270 3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.068 6.003 3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.989 7.367 3.716 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.552 7.113 2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.217 4.046 2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.664 5.076 0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.519 3.985 1.565 1.00 0.00 H new ATOM 776 N HIS A 51 -7.183 8.979 2.310 1.00 0.00 N ATOM 777 CA HIS A 51 -7.169 10.290 2.950 1.00 0.00 C ATOM 778 C HIS A 51 -8.236 11.200 2.349 1.00 0.00 C ATOM 779 O HIS A 51 -8.461 11.195 1.139 1.00 0.00 O ATOM 780 CB HIS A 51 -5.791 10.936 2.805 1.00 0.00 C ATOM 781 CG HIS A 51 -5.456 11.888 3.913 1.00 0.00 C ATOM 782 ND1 HIS A 51 -5.366 13.252 3.732 1.00 0.00 N ATOM 783 CD2 HIS A 51 -5.191 11.665 5.222 1.00 0.00 C ATOM 784 CE1 HIS A 51 -5.058 13.826 4.881 1.00 0.00 C ATOM 785 NE2 HIS A 51 -4.947 12.885 5.801 1.00 0.00 N ATOM 0 H HIS A 51 -7.511 8.985 1.344 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.389 10.153 4.009 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.034 10.153 2.768 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.746 11.467 1.854 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.175 10.706 5.718 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.920 14.885 5.041 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.717 13.040 6.783 1.00 0.00 H new ATOM 794 N GLY A 52 -8.891 11.981 3.203 1.00 0.00 N ATOM 795 CA GLY A 52 -9.927 12.884 2.737 1.00 0.00 C ATOM 796 C GLY A 52 -9.570 14.340 2.961 1.00 0.00 C ATOM 797 O GLY A 52 -10.300 15.070 3.631 1.00 0.00 O ATOM 0 H GLY A 52 -8.723 12.004 4.209 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.101 12.715 1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.860 12.658 3.253 1.00 0.00 H new ATOM 801 N ASP A 53 -8.442 14.764 2.400 1.00 0.00 N ATOM 802 CA ASP A 53 -7.989 16.143 2.542 1.00 0.00 C ATOM 803 C ASP A 53 -9.158 17.115 2.416 1.00 0.00 C ATOM 804 O ASP A 53 -9.231 18.110 3.135 1.00 0.00 O ATOM 805 CB ASP A 53 -6.927 16.464 1.490 1.00 0.00 C ATOM 806 CG ASP A 53 -5.588 15.826 1.806 1.00 0.00 C ATOM 807 OD1 ASP A 53 -4.905 16.309 2.733 1.00 0.00 O ATOM 808 OD2 ASP A 53 -5.223 14.844 1.125 1.00 0.00 O ATOM 0 H ASP A 53 -7.825 14.173 1.843 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.552 16.256 3.534 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.270 16.119 0.515 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.804 17.545 1.420 1.00 0.00 H new ATOM 813 N GLY A 54 -10.070 16.819 1.495 1.00 0.00 N ATOM 814 CA GLY A 54 -11.223 17.677 1.290 1.00 0.00 C ATOM 815 C GLY A 54 -12.462 17.162 1.994 1.00 0.00 C ATOM 816 O GLY A 54 -12.466 16.991 3.214 1.00 0.00 O ATOM 0 H GLY A 54 -10.031 16.001 0.887 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.994 18.680 1.651 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -11.424 17.761 0.222 1.00 0.00 H new ATOM 820 N HIS A 55 -13.518 16.915 1.226 1.00 0.00 N ATOM 821 CA HIS A 55 -14.770 16.416 1.784 1.00 0.00 C ATOM 822 C HIS A 55 -14.961 14.938 1.457 1.00 0.00 C ATOM 823 O HIS A 55 -14.235 14.375 0.638 1.00 0.00 O ATOM 824 CB HIS A 55 -15.950 17.226 1.247 1.00 0.00 C ATOM 825 CG HIS A 55 -15.788 18.705 1.414 1.00 0.00 C ATOM 826 ND1 HIS A 55 -14.742 19.518 1.136 1.00 0.00 N flip ATOM 827 CD2 HIS A 55 -16.777 19.518 1.926 1.00 0.00 C flip ATOM 828 CE1 HIS A 55 -15.115 20.794 1.480 1.00 0.00 C flip ATOM 829 NE2 HIS A 55 -16.348 20.767 1.954 1.00 0.00 N flip ATOM 0 H HIS A 55 -13.532 17.052 0.215 1.00 0.00 H new ATOM 0 HA HIS A 55 -14.726 16.527 2.867 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -16.083 17.001 0.189 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -16.860 16.909 1.757 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -17.751 19.185 2.253 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -14.500 21.676 1.379 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -16.878 21.573 2.285 1.00 0.00 H new ATOM 838 N ALA A 56 -15.941 14.316 2.104 1.00 0.00 N ATOM 839 CA ALA A 56 -16.227 12.904 1.881 1.00 0.00 C ATOM 840 C ALA A 56 -16.413 12.610 0.396 1.00 0.00 C ATOM 841 O ALA A 56 -15.803 11.688 -0.144 1.00 0.00 O ATOM 842 CB ALA A 56 -17.463 12.486 2.663 1.00 0.00 C ATOM 0 H ALA A 56 -16.550 14.767 2.786 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.374 12.325 2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -17.665 11.429 2.487 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -17.293 12.651 3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -18.318 13.078 2.336 1.00 0.00 H new ATOM 848 N GLU A 57 -17.262 13.398 -0.257 1.00 0.00 N ATOM 849 CA GLU A 57 -17.529 13.219 -1.679 1.00 0.00 C ATOM 850 C GLU A 57 -16.291 13.543 -2.510 1.00 0.00 C ATOM 851 O GLU A 57 -16.290 13.383 -3.730 1.00 0.00 O ATOM 852 CB GLU A 57 -18.696 14.106 -2.117 1.00 0.00 C ATOM 853 CG GLU A 57 -18.294 15.543 -2.405 1.00 0.00 C ATOM 854 CD GLU A 57 -19.490 16.453 -2.610 1.00 0.00 C ATOM 855 OE1 GLU A 57 -20.153 16.335 -3.661 1.00 0.00 O ATOM 856 OE2 GLU A 57 -19.761 17.284 -1.718 1.00 0.00 O ATOM 0 H GLU A 57 -17.776 14.165 0.176 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.794 12.175 -1.844 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -19.151 13.679 -3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -19.458 14.100 -1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -17.692 15.921 -1.578 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -17.665 15.569 -3.295 1.00 0.00 H new ATOM 863 N ASN A 58 -15.238 13.999 -1.839 1.00 0.00 N ATOM 864 CA ASN A 58 -13.993 14.347 -2.515 1.00 0.00 C ATOM 865 C ASN A 58 -12.803 13.661 -1.851 1.00 0.00 C ATOM 866 O ASN A 58 -11.761 14.279 -1.628 1.00 0.00 O ATOM 867 CB ASN A 58 -13.791 15.863 -2.508 1.00 0.00 C ATOM 868 CG ASN A 58 -14.843 16.591 -3.323 1.00 0.00 C ATOM 869 OD1 ASN A 58 -15.911 17.021 -2.661 1.00 0.00 O flip ATOM 870 ND2 ASN A 58 -14.697 16.763 -4.533 1.00 0.00 N flip ATOM 0 H ASN A 58 -15.222 14.136 -0.828 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.060 14.001 -3.546 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.817 16.225 -1.480 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.803 16.097 -2.904 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.860 16.415 -5.000 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.413 17.253 -5.069 1.00 0.00 H new ATOM 877 N LEU A 59 -12.965 12.380 -1.537 1.00 0.00 N ATOM 878 CA LEU A 59 -11.905 11.609 -0.898 1.00 0.00 C ATOM 879 C LEU A 59 -10.907 11.095 -1.932 1.00 0.00 C ATOM 880 O LEU A 59 -11.246 10.917 -3.102 1.00 0.00 O ATOM 881 CB LEU A 59 -12.500 10.434 -0.119 1.00 0.00 C ATOM 882 CG LEU A 59 -11.598 9.811 0.947 1.00 0.00 C ATOM 883 CD1 LEU A 59 -11.803 10.500 2.288 1.00 0.00 C ATOM 884 CD2 LEU A 59 -11.867 8.318 1.067 1.00 0.00 C ATOM 0 H LEU A 59 -13.820 11.854 -1.715 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.378 12.266 -0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.418 10.771 0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -12.779 9.656 -0.830 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.560 9.950 0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -11.153 10.044 3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.560 11.559 2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -12.843 10.392 2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.216 7.891 1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -12.908 8.157 1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -11.670 7.835 0.110 1.00 0.00 H new ATOM 896 N VAL A 60 -9.676 10.857 -1.491 1.00 0.00 N ATOM 897 CA VAL A 60 -8.630 10.360 -2.376 1.00 0.00 C ATOM 898 C VAL A 60 -8.104 9.010 -1.902 1.00 0.00 C ATOM 899 O VAL A 60 -7.796 8.832 -0.724 1.00 0.00 O ATOM 900 CB VAL A 60 -7.455 11.352 -2.469 1.00 0.00 C ATOM 901 CG1 VAL A 60 -6.269 10.712 -3.175 1.00 0.00 C ATOM 902 CG2 VAL A 60 -7.888 12.624 -3.183 1.00 0.00 C ATOM 0 H VAL A 60 -9.379 11.000 -0.526 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.079 10.246 -3.363 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.145 11.617 -1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.449 11.428 -3.231 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.945 9.833 -2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.562 10.416 -4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.046 13.314 -3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.225 12.379 -4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.703 13.092 -2.631 1.00 0.00 H new ATOM 912 N GLN A 61 -8.003 8.062 -2.829 1.00 0.00 N ATOM 913 CA GLN A 61 -7.515 6.727 -2.505 1.00 0.00 C ATOM 914 C GLN A 61 -6.370 6.327 -3.430 1.00 0.00 C ATOM 915 O GLN A 61 -6.478 6.440 -4.651 1.00 0.00 O ATOM 916 CB GLN A 61 -8.650 5.706 -2.608 1.00 0.00 C ATOM 917 CG GLN A 61 -9.853 6.045 -1.743 1.00 0.00 C ATOM 918 CD GLN A 61 -10.967 5.026 -1.868 1.00 0.00 C ATOM 919 OE1 GLN A 61 -11.479 4.779 -2.961 1.00 0.00 O ATOM 920 NE2 GLN A 61 -11.350 4.426 -0.747 1.00 0.00 N ATOM 0 H GLN A 61 -8.252 8.194 -3.809 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.142 6.743 -1.481 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.969 5.634 -3.648 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.272 4.725 -2.322 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.540 6.109 -0.701 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.232 7.028 -2.023 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.899 4.661 0.137 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -12.096 3.730 -0.770 1.00 0.00 H new ATOM 929 N TRP A 62 -5.275 5.861 -2.840 1.00 0.00 N ATOM 930 CA TRP A 62 -4.110 5.444 -3.612 1.00 0.00 C ATOM 931 C TRP A 62 -3.387 4.290 -2.927 1.00 0.00 C ATOM 932 O TRP A 62 -3.765 3.872 -1.833 1.00 0.00 O ATOM 933 CB TRP A 62 -3.152 6.621 -3.803 1.00 0.00 C ATOM 934 CG TRP A 62 -2.394 6.978 -2.560 1.00 0.00 C ATOM 935 CD1 TRP A 62 -1.107 6.637 -2.259 1.00 0.00 C ATOM 936 CD2 TRP A 62 -2.878 7.744 -1.452 1.00 0.00 C ATOM 937 NE1 TRP A 62 -0.761 7.144 -1.030 1.00 0.00 N ATOM 938 CE2 TRP A 62 -1.830 7.828 -0.514 1.00 0.00 C ATOM 939 CE3 TRP A 62 -4.094 8.368 -1.160 1.00 0.00 C ATOM 940 CZ2 TRP A 62 -1.964 8.510 0.692 1.00 0.00 C ATOM 941 CZ3 TRP A 62 -4.226 9.044 0.038 1.00 0.00 C ATOM 942 CH2 TRP A 62 -3.166 9.112 0.952 1.00 0.00 C ATOM 0 H TRP A 62 -5.169 5.762 -1.830 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.455 5.103 -4.588 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.443 6.379 -4.595 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.718 7.490 -4.137 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.456 6.054 -2.894 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.145 7.030 -0.575 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.916 8.323 -1.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.148 8.562 1.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.162 9.528 0.274 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.300 9.649 1.879 1.00 0.00 H new ATOM 953 N GLU A 63 -2.345 3.781 -3.577 1.00 0.00 N ATOM 954 CA GLU A 63 -1.570 2.674 -3.028 1.00 0.00 C ATOM 955 C GLU A 63 -0.078 2.994 -3.045 1.00 0.00 C ATOM 956 O GLU A 63 0.339 4.032 -3.557 1.00 0.00 O ATOM 957 CB GLU A 63 -1.837 1.393 -3.820 1.00 0.00 C ATOM 958 CG GLU A 63 -3.313 1.056 -3.952 1.00 0.00 C ATOM 959 CD GLU A 63 -3.554 -0.192 -4.780 1.00 0.00 C ATOM 960 OE1 GLU A 63 -3.658 -0.073 -6.018 1.00 0.00 O ATOM 961 OE2 GLU A 63 -3.640 -1.288 -4.187 1.00 0.00 O ATOM 0 H GLU A 63 -2.018 4.117 -4.483 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.880 2.524 -1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.406 1.495 -4.816 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.325 0.562 -3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.740 0.917 -2.959 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.835 1.897 -4.409 1.00 0.00 H new ATOM 968 N MET A 64 0.721 2.093 -2.481 1.00 0.00 N ATOM 969 CA MET A 64 2.166 2.279 -2.431 1.00 0.00 C ATOM 970 C MET A 64 2.889 0.937 -2.489 1.00 0.00 C ATOM 971 O MET A 64 2.561 0.013 -1.744 1.00 0.00 O ATOM 972 CB MET A 64 2.562 3.031 -1.159 1.00 0.00 C ATOM 973 CG MET A 64 1.988 4.436 -1.080 1.00 0.00 C ATOM 974 SD MET A 64 2.162 5.165 0.560 1.00 0.00 S ATOM 975 CE MET A 64 3.803 5.873 0.443 1.00 0.00 C ATOM 0 H MET A 64 0.392 1.228 -2.053 1.00 0.00 H new ATOM 0 HA MET A 64 2.461 2.869 -3.299 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.228 2.462 -0.291 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.649 3.088 -1.104 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.489 5.071 -1.811 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.933 4.409 -1.352 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.021 6.437 1.350 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.536 5.075 0.327 1.00 0.00 H new ATOM 0 HE3 MET A 64 3.851 6.539 -0.419 1.00 0.00 H new ATOM 985 N GLU A 65 3.873 0.836 -3.377 1.00 0.00 N ATOM 986 CA GLU A 65 4.640 -0.394 -3.531 1.00 0.00 C ATOM 987 C GLU A 65 6.135 -0.097 -3.609 1.00 0.00 C ATOM 988 O GLU A 65 6.546 0.944 -4.120 1.00 0.00 O ATOM 989 CB GLU A 65 4.192 -1.147 -4.785 1.00 0.00 C ATOM 990 CG GLU A 65 5.251 -2.083 -5.344 1.00 0.00 C ATOM 991 CD GLU A 65 4.655 -3.237 -6.126 1.00 0.00 C ATOM 992 OE1 GLU A 65 3.607 -3.766 -5.700 1.00 0.00 O ATOM 993 OE2 GLU A 65 5.237 -3.611 -7.166 1.00 0.00 O ATOM 0 H GLU A 65 4.158 1.591 -4.001 1.00 0.00 H new ATOM 0 HA GLU A 65 4.457 -1.018 -2.656 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.296 -1.723 -4.552 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.916 -0.425 -5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.924 -1.520 -5.991 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.852 -2.476 -4.524 1.00 0.00 H new ATOM 1000 N VAL A 66 6.943 -1.020 -3.098 1.00 0.00 N ATOM 1001 CA VAL A 66 8.392 -0.859 -3.110 1.00 0.00 C ATOM 1002 C VAL A 66 9.038 -1.774 -4.143 1.00 0.00 C ATOM 1003 O VAL A 66 9.026 -2.997 -3.999 1.00 0.00 O ATOM 1004 CB VAL A 66 9.001 -1.155 -1.726 1.00 0.00 C ATOM 1005 CG1 VAL A 66 10.460 -0.728 -1.683 1.00 0.00 C ATOM 1006 CG2 VAL A 66 8.202 -0.461 -0.633 1.00 0.00 C ATOM 0 H VAL A 66 6.619 -1.887 -2.670 1.00 0.00 H new ATOM 0 HA VAL A 66 8.593 0.180 -3.373 1.00 0.00 H new ATOM 0 HB VAL A 66 8.956 -2.230 -1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.874 -0.945 -0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.022 -1.275 -2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.532 0.342 -1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.646 -0.681 0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.214 0.616 -0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.173 -0.820 -0.651 1.00 0.00 H new ATOM 1016 N CYS A 67 9.603 -1.174 -5.186 1.00 0.00 N ATOM 1017 CA CYS A 67 10.255 -1.936 -6.245 1.00 0.00 C ATOM 1018 C CYS A 67 11.585 -1.298 -6.633 1.00 0.00 C ATOM 1019 O CYS A 67 11.889 -0.176 -6.228 1.00 0.00 O ATOM 1020 CB CYS A 67 9.343 -2.029 -7.470 1.00 0.00 C ATOM 1021 SG CYS A 67 9.744 -3.393 -8.586 1.00 0.00 S ATOM 0 H CYS A 67 9.622 -0.163 -5.320 1.00 0.00 H new ATOM 0 HA CYS A 67 10.450 -2.940 -5.870 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.312 -2.139 -7.134 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.400 -1.092 -8.024 1.00 0.00 H new ATOM 0 HG CYS A 67 8.917 -3.390 -9.589 1.00 0.00 H new ATOM 1027 N LYS A 68 12.374 -2.021 -7.420 1.00 0.00 N ATOM 1028 CA LYS A 68 13.672 -1.527 -7.864 1.00 0.00 C ATOM 1029 C LYS A 68 13.586 -0.965 -9.279 1.00 0.00 C ATOM 1030 O LYS A 68 13.337 -1.699 -10.236 1.00 0.00 O ATOM 1031 CB LYS A 68 14.712 -2.649 -7.812 1.00 0.00 C ATOM 1032 CG LYS A 68 16.138 -2.150 -7.653 1.00 0.00 C ATOM 1033 CD LYS A 68 16.734 -1.730 -8.986 1.00 0.00 C ATOM 1034 CE LYS A 68 17.435 -2.891 -9.674 1.00 0.00 C ATOM 1035 NZ LYS A 68 18.730 -3.224 -9.020 1.00 0.00 N ATOM 0 H LYS A 68 12.137 -2.952 -7.764 1.00 0.00 H new ATOM 0 HA LYS A 68 13.977 -0.725 -7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.474 -3.315 -6.982 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.643 -3.240 -8.725 1.00 0.00 H new ATOM 0 HG2 LYS A 68 16.154 -1.306 -6.964 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.752 -2.934 -7.210 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.946 -1.345 -9.633 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.443 -0.917 -8.829 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.786 -3.766 -9.660 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.611 -2.641 -10.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.291 -3.833 -9.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.256 -2.348 -8.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.549 -3.724 -8.126 1.00 0.00 H new ATOM 1049 N LEU A 69 13.794 0.341 -9.405 1.00 0.00 N ATOM 1050 CA LEU A 69 13.741 1.003 -10.704 1.00 0.00 C ATOM 1051 C LEU A 69 14.953 0.633 -11.553 1.00 0.00 C ATOM 1052 O LEU A 69 16.074 0.512 -11.059 1.00 0.00 O ATOM 1053 CB LEU A 69 13.674 2.520 -10.524 1.00 0.00 C ATOM 1054 CG LEU A 69 14.317 3.074 -9.252 1.00 0.00 C ATOM 1055 CD1 LEU A 69 14.876 4.467 -9.499 1.00 0.00 C ATOM 1056 CD2 LEU A 69 13.310 3.096 -8.111 1.00 0.00 C ATOM 0 H LEU A 69 14.001 0.963 -8.623 1.00 0.00 H new ATOM 0 HA LEU A 69 12.842 0.665 -11.220 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.153 2.989 -11.383 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.627 2.822 -10.539 1.00 0.00 H new ATOM 0 HG LEU A 69 15.141 2.419 -8.970 1.00 0.00 H new ATOM 0 HD11 LEU A 69 15.329 4.845 -8.583 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.630 4.422 -10.285 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.070 5.133 -9.806 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.785 3.493 -7.214 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.465 3.728 -8.384 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.958 2.083 -7.917 1.00 0.00 H new ATOM 1068 N PRO A 70 14.726 0.452 -12.862 1.00 0.00 N ATOM 1069 CA PRO A 70 15.788 0.096 -13.808 1.00 0.00 C ATOM 1070 C PRO A 70 16.768 1.242 -14.037 1.00 0.00 C ATOM 1071 O PRO A 70 17.983 1.045 -14.023 1.00 0.00 O ATOM 1072 CB PRO A 70 15.024 -0.220 -15.097 1.00 0.00 C ATOM 1073 CG PRO A 70 13.756 0.554 -14.985 1.00 0.00 C ATOM 1074 CD PRO A 70 13.415 0.580 -13.520 1.00 0.00 C ATOM 0 HA PRO A 70 16.398 -0.731 -13.444 1.00 0.00 H new ATOM 0 HB2 PRO A 70 15.593 0.078 -15.978 1.00 0.00 H new ATOM 0 HB3 PRO A 70 14.829 -1.288 -15.190 1.00 0.00 H new ATOM 0 HG2 PRO A 70 13.880 1.564 -15.375 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.960 0.085 -15.563 1.00 0.00 H new ATOM 0 HD2 PRO A 70 12.914 1.507 -13.240 1.00 0.00 H new ATOM 0 HD3 PRO A 70 12.747 -0.238 -13.248 1.00 0.00 H new ATOM 1082 N ARG A 71 16.232 2.440 -14.248 1.00 0.00 N ATOM 1083 CA ARG A 71 17.059 3.617 -14.481 1.00 0.00 C ATOM 1084 C ARG A 71 18.243 3.648 -13.518 1.00 0.00 C ATOM 1085 O ARG A 71 19.393 3.481 -13.926 1.00 0.00 O ATOM 1086 CB ARG A 71 16.227 4.891 -14.324 1.00 0.00 C ATOM 1087 CG ARG A 71 16.968 6.156 -14.726 1.00 0.00 C ATOM 1088 CD ARG A 71 17.214 6.204 -16.226 1.00 0.00 C ATOM 1089 NE ARG A 71 17.317 7.574 -16.721 1.00 0.00 N ATOM 1090 CZ ARG A 71 16.266 8.355 -16.948 1.00 0.00 C ATOM 1091 NH1 ARG A 71 15.040 7.902 -16.726 1.00 0.00 N ATOM 1092 NH2 ARG A 71 16.441 9.591 -17.398 1.00 0.00 N ATOM 0 H ARG A 71 15.228 2.620 -14.262 1.00 0.00 H new ATOM 0 HA ARG A 71 17.442 3.565 -15.500 1.00 0.00 H new ATOM 0 HB2 ARG A 71 15.324 4.802 -14.928 1.00 0.00 H new ATOM 0 HB3 ARG A 71 15.909 4.981 -13.285 1.00 0.00 H new ATOM 0 HG2 ARG A 71 16.391 7.029 -14.423 1.00 0.00 H new ATOM 0 HG3 ARG A 71 17.920 6.205 -14.198 1.00 0.00 H new ATOM 0 HD2 ARG A 71 18.132 5.664 -16.460 1.00 0.00 H new ATOM 0 HD3 ARG A 71 16.402 5.692 -16.743 1.00 0.00 H new ATOM 0 HE ARG A 71 18.247 7.952 -16.902 1.00 0.00 H new ATOM 0 HH11 ARG A 71 14.902 6.952 -16.380 1.00 0.00 H new ATOM 0 HH12 ARG A 71 14.235 8.503 -16.901 1.00 0.00 H new ATOM 0 HH21 ARG A 71 17.383 9.943 -17.570 1.00 0.00 H new ATOM 0 HH22 ARG A 71 15.634 10.190 -17.572 1.00 0.00 H new ATOM 1106 N LEU A 72 17.954 3.864 -12.240 1.00 0.00 N ATOM 1107 CA LEU A 72 18.994 3.918 -11.218 1.00 0.00 C ATOM 1108 C LEU A 72 18.864 2.749 -10.247 1.00 0.00 C ATOM 1109 O LEU A 72 17.826 2.090 -10.189 1.00 0.00 O ATOM 1110 CB LEU A 72 18.918 5.241 -10.455 1.00 0.00 C ATOM 1111 CG LEU A 72 18.464 6.457 -11.263 1.00 0.00 C ATOM 1112 CD1 LEU A 72 16.957 6.635 -11.158 1.00 0.00 C ATOM 1113 CD2 LEU A 72 19.185 7.711 -10.790 1.00 0.00 C ATOM 0 H LEU A 72 17.008 4.005 -11.886 1.00 0.00 H new ATOM 0 HA LEU A 72 19.962 3.848 -11.715 1.00 0.00 H new ATOM 0 HB2 LEU A 72 18.236 5.114 -9.614 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.902 5.454 -10.038 1.00 0.00 H new ATOM 0 HG LEU A 72 18.718 6.289 -12.310 1.00 0.00 H new ATOM 0 HD11 LEU A 72 16.652 7.505 -11.739 1.00 0.00 H new ATOM 0 HD12 LEU A 72 16.458 5.747 -11.545 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.680 6.781 -10.114 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.850 8.567 -11.376 1.00 0.00 H new ATOM 0 HD22 LEU A 72 18.963 7.883 -9.737 1.00 0.00 H new ATOM 0 HD23 LEU A 72 20.260 7.583 -10.918 1.00 0.00 H new ATOM 1125 N SER A 73 19.924 2.500 -9.484 1.00 0.00 N ATOM 1126 CA SER A 73 19.929 1.409 -8.516 1.00 0.00 C ATOM 1127 C SER A 73 19.471 1.898 -7.145 1.00 0.00 C ATOM 1128 O SER A 73 20.183 1.752 -6.151 1.00 0.00 O ATOM 1129 CB SER A 73 21.328 0.799 -8.411 1.00 0.00 C ATOM 1130 OG SER A 73 21.356 -0.253 -7.462 1.00 0.00 O ATOM 0 H SER A 73 20.790 3.039 -9.517 1.00 0.00 H new ATOM 0 HA SER A 73 19.232 0.645 -8.862 1.00 0.00 H new ATOM 0 HB2 SER A 73 21.638 0.422 -9.386 1.00 0.00 H new ATOM 0 HB3 SER A 73 22.044 1.570 -8.125 1.00 0.00 H new ATOM 0 HG SER A 73 21.100 0.093 -6.582 1.00 0.00 H new ATOM 1136 N LEU A 74 18.277 2.479 -7.100 1.00 0.00 N ATOM 1137 CA LEU A 74 17.722 2.990 -5.852 1.00 0.00 C ATOM 1138 C LEU A 74 16.308 2.463 -5.629 1.00 0.00 C ATOM 1139 O LEU A 74 15.543 2.288 -6.577 1.00 0.00 O ATOM 1140 CB LEU A 74 17.712 4.520 -5.864 1.00 0.00 C ATOM 1141 CG LEU A 74 19.079 5.199 -5.954 1.00 0.00 C ATOM 1142 CD1 LEU A 74 18.959 6.550 -6.641 1.00 0.00 C ATOM 1143 CD2 LEU A 74 19.689 5.354 -4.569 1.00 0.00 C ATOM 0 H LEU A 74 17.675 2.608 -7.913 1.00 0.00 H new ATOM 0 HA LEU A 74 18.353 2.643 -5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.107 4.853 -6.707 1.00 0.00 H new ATOM 0 HB3 LEU A 74 17.215 4.867 -4.958 1.00 0.00 H new ATOM 0 HG LEU A 74 19.739 4.569 -6.551 1.00 0.00 H new ATOM 0 HD11 LEU A 74 19.942 7.019 -6.696 1.00 0.00 H new ATOM 0 HD12 LEU A 74 18.566 6.412 -7.648 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.284 7.189 -6.072 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.662 5.839 -4.652 1.00 0.00 H new ATOM 0 HD22 LEU A 74 19.032 5.963 -3.948 1.00 0.00 H new ATOM 0 HD23 LEU A 74 19.811 4.371 -4.113 1.00 0.00 H new ATOM 1155 N ASN A 75 15.967 2.213 -4.369 1.00 0.00 N ATOM 1156 CA ASN A 75 14.644 1.707 -4.021 1.00 0.00 C ATOM 1157 C ASN A 75 13.653 2.854 -3.841 1.00 0.00 C ATOM 1158 O ASN A 75 13.693 3.570 -2.841 1.00 0.00 O ATOM 1159 CB ASN A 75 14.714 0.873 -2.741 1.00 0.00 C ATOM 1160 CG ASN A 75 15.590 -0.355 -2.898 1.00 0.00 C ATOM 1161 OD1 ASN A 75 16.124 -0.616 -3.976 1.00 0.00 O ATOM 1162 ND2 ASN A 75 15.742 -1.116 -1.820 1.00 0.00 N ATOM 0 H ASN A 75 16.588 2.352 -3.572 1.00 0.00 H new ATOM 0 HA ASN A 75 14.297 1.076 -4.839 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.100 1.490 -1.929 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.708 0.564 -2.456 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.320 -1.955 -1.865 1.00 0.00 H new ATOM 0 HD22 ASN A 75 15.280 -0.861 -0.947 1.00 0.00 H new ATOM 1169 N GLY A 76 12.765 3.021 -4.816 1.00 0.00 N ATOM 1170 CA GLY A 76 11.776 4.081 -4.745 1.00 0.00 C ATOM 1171 C GLY A 76 10.394 3.563 -4.402 1.00 0.00 C ATOM 1172 O GLY A 76 10.212 2.369 -4.164 1.00 0.00 O ATOM 0 H GLY A 76 12.713 2.441 -5.654 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.083 4.811 -3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.738 4.603 -5.701 1.00 0.00 H new ATOM 1176 N VAL A 77 9.416 4.463 -4.376 1.00 0.00 N ATOM 1177 CA VAL A 77 8.042 4.090 -4.059 1.00 0.00 C ATOM 1178 C VAL A 77 7.122 4.319 -5.252 1.00 0.00 C ATOM 1179 O VAL A 77 7.109 5.400 -5.841 1.00 0.00 O ATOM 1180 CB VAL A 77 7.509 4.886 -2.853 1.00 0.00 C ATOM 1181 CG1 VAL A 77 6.141 4.369 -2.435 1.00 0.00 C ATOM 1182 CG2 VAL A 77 8.491 4.817 -1.693 1.00 0.00 C ATOM 0 H VAL A 77 9.549 5.455 -4.571 1.00 0.00 H new ATOM 0 HA VAL A 77 8.051 3.029 -3.809 1.00 0.00 H new ATOM 0 HB VAL A 77 7.402 5.930 -3.147 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.780 4.943 -1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.443 4.475 -3.265 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.218 3.318 -2.158 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.098 5.385 -0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.632 3.778 -1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.448 5.239 -2.001 1.00 0.00 H new ATOM 1192 N ARG A 78 6.352 3.294 -5.604 1.00 0.00 N ATOM 1193 CA ARG A 78 5.428 3.383 -6.728 1.00 0.00 C ATOM 1194 C ARG A 78 4.015 3.701 -6.247 1.00 0.00 C ATOM 1195 O ARG A 78 3.414 2.929 -5.499 1.00 0.00 O ATOM 1196 CB ARG A 78 5.426 2.073 -7.519 1.00 0.00 C ATOM 1197 CG ARG A 78 6.810 1.628 -7.963 1.00 0.00 C ATOM 1198 CD ARG A 78 6.749 0.821 -9.251 1.00 0.00 C ATOM 1199 NE ARG A 78 6.499 -0.595 -8.998 1.00 0.00 N ATOM 1200 CZ ARG A 78 6.391 -1.506 -9.959 1.00 0.00 C ATOM 1201 NH1 ARG A 78 6.511 -1.149 -11.230 1.00 0.00 N ATOM 1202 NH2 ARG A 78 6.163 -2.776 -9.649 1.00 0.00 N ATOM 0 H ARG A 78 6.350 2.393 -5.127 1.00 0.00 H new ATOM 0 HA ARG A 78 5.763 4.192 -7.378 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.981 1.289 -6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.792 2.190 -8.398 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.445 2.502 -8.110 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.270 1.028 -7.178 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.962 1.219 -9.891 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.688 0.932 -9.793 1.00 0.00 H new ATOM 0 HE ARG A 78 6.402 -0.902 -8.030 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.687 -0.174 -11.471 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.428 -1.850 -11.967 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.070 -3.054 -8.672 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.080 -3.474 -10.388 1.00 0.00 H new ATOM 1216 N PHE A 79 3.491 4.843 -6.680 1.00 0.00 N ATOM 1217 CA PHE A 79 2.150 5.264 -6.292 1.00 0.00 C ATOM 1218 C PHE A 79 1.126 4.863 -7.351 1.00 0.00 C ATOM 1219 O PHE A 79 1.422 4.858 -8.546 1.00 0.00 O ATOM 1220 CB PHE A 79 2.110 6.778 -6.076 1.00 0.00 C ATOM 1221 CG PHE A 79 2.778 7.220 -4.806 1.00 0.00 C ATOM 1222 CD1 PHE A 79 4.103 6.899 -4.556 1.00 0.00 C ATOM 1223 CD2 PHE A 79 2.082 7.957 -3.861 1.00 0.00 C ATOM 1224 CE1 PHE A 79 4.719 7.303 -3.387 1.00 0.00 C ATOM 1225 CE2 PHE A 79 2.693 8.364 -2.691 1.00 0.00 C ATOM 1226 CZ PHE A 79 4.014 8.038 -2.454 1.00 0.00 C ATOM 0 H PHE A 79 3.975 5.493 -7.300 1.00 0.00 H new ATOM 0 HA PHE A 79 1.896 4.764 -5.358 1.00 0.00 H new ATOM 0 HB2 PHE A 79 2.592 7.270 -6.921 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.071 7.108 -6.065 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.660 6.327 -5.283 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.049 8.216 -4.042 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.751 7.044 -3.203 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.138 8.937 -1.962 1.00 0.00 H new ATOM 0 HZ PHE A 79 4.495 8.357 -1.541 1.00 0.00 H new ATOM 1236 N LYS A 80 -0.078 4.526 -6.903 1.00 0.00 N ATOM 1237 CA LYS A 80 -1.147 4.124 -7.810 1.00 0.00 C ATOM 1238 C LYS A 80 -2.418 4.925 -7.542 1.00 0.00 C ATOM 1239 O LYS A 80 -2.872 5.022 -6.402 1.00 0.00 O ATOM 1240 CB LYS A 80 -1.434 2.628 -7.662 1.00 0.00 C ATOM 1241 CG LYS A 80 -2.603 2.147 -8.503 1.00 0.00 C ATOM 1242 CD LYS A 80 -2.186 1.891 -9.942 1.00 0.00 C ATOM 1243 CE LYS A 80 -1.567 0.512 -10.107 1.00 0.00 C ATOM 1244 NZ LYS A 80 -1.508 0.097 -11.536 1.00 0.00 N ATOM 0 H LYS A 80 -0.339 4.523 -5.917 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.819 4.326 -8.830 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.542 2.066 -7.940 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.636 2.407 -6.614 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.010 1.232 -8.073 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.399 2.891 -8.481 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.054 1.982 -10.595 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.471 2.652 -10.255 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.561 0.513 -9.688 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.148 -0.217 -9.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.528 -0.941 -11.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.325 0.490 -12.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.630 0.452 -11.965 1.00 0.00 H new ATOM 1258 N ARG A 81 -2.986 5.495 -8.599 1.00 0.00 N ATOM 1259 CA ARG A 81 -4.205 6.287 -8.477 1.00 0.00 C ATOM 1260 C ARG A 81 -5.442 5.412 -8.655 1.00 0.00 C ATOM 1261 O ARG A 81 -5.747 4.969 -9.763 1.00 0.00 O ATOM 1262 CB ARG A 81 -4.211 7.414 -9.512 1.00 0.00 C ATOM 1263 CG ARG A 81 -5.337 8.415 -9.314 1.00 0.00 C ATOM 1264 CD ARG A 81 -5.665 9.148 -10.606 1.00 0.00 C ATOM 1265 NE ARG A 81 -4.473 9.713 -11.232 1.00 0.00 N ATOM 1266 CZ ARG A 81 -4.481 10.323 -12.412 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -5.614 10.447 -13.090 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -3.355 10.812 -12.916 1.00 0.00 N ATOM 0 H ARG A 81 -2.622 5.424 -9.549 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.229 6.720 -7.477 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.257 7.940 -9.470 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.292 6.980 -10.509 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.226 7.898 -8.952 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.054 9.136 -8.547 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.148 8.460 -11.300 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.379 9.946 -10.399 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.585 9.635 -10.736 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.482 10.074 -12.706 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.618 10.916 -13.996 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.482 10.720 -12.397 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.363 11.280 -13.822 1.00 0.00 H new ATOM 1282 N ILE A 82 -6.149 5.166 -7.557 1.00 0.00 N ATOM 1283 CA ILE A 82 -7.352 4.344 -7.592 1.00 0.00 C ATOM 1284 C ILE A 82 -8.588 5.191 -7.878 1.00 0.00 C ATOM 1285 O ILE A 82 -9.316 4.941 -8.839 1.00 0.00 O ATOM 1286 CB ILE A 82 -7.557 3.589 -6.266 1.00 0.00 C ATOM 1287 CG1 ILE A 82 -6.335 2.724 -5.952 1.00 0.00 C ATOM 1288 CG2 ILE A 82 -8.815 2.735 -6.331 1.00 0.00 C ATOM 1289 CD1 ILE A 82 -5.955 1.784 -7.076 1.00 0.00 C ATOM 0 H ILE A 82 -5.909 5.524 -6.633 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.216 3.620 -8.395 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.678 4.318 -5.465 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.488 3.373 -5.730 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.534 2.141 -5.053 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -8.946 2.208 -5.386 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -9.679 3.374 -6.513 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.722 2.011 -7.141 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.081 1.202 -6.784 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.786 1.110 -7.284 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.724 2.362 -7.971 1.00 0.00 H new ATOM 1301 N SER A 83 -8.818 6.195 -7.038 1.00 0.00 N ATOM 1302 CA SER A 83 -9.966 7.079 -7.198 1.00 0.00 C ATOM 1303 C SER A 83 -9.541 8.542 -7.122 1.00 0.00 C ATOM 1304 O SER A 83 -8.361 8.850 -6.962 1.00 0.00 O ATOM 1305 CB SER A 83 -11.017 6.784 -6.126 1.00 0.00 C ATOM 1306 OG SER A 83 -12.297 7.243 -6.526 1.00 0.00 O ATOM 0 H SER A 83 -8.224 6.416 -6.239 1.00 0.00 H new ATOM 0 HA SER A 83 -10.399 6.896 -8.181 1.00 0.00 H new ATOM 0 HB2 SER A 83 -11.055 5.712 -5.935 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.731 7.264 -5.190 1.00 0.00 H new ATOM 0 HG SER A 83 -12.951 7.041 -5.825 1.00 0.00 H new ATOM 1312 N GLY A 84 -10.514 9.441 -7.238 1.00 0.00 N ATOM 1313 CA GLY A 84 -10.222 10.862 -7.180 1.00 0.00 C ATOM 1314 C GLY A 84 -9.550 11.367 -8.441 1.00 0.00 C ATOM 1315 O GLY A 84 -8.712 10.680 -9.026 1.00 0.00 O ATOM 0 H GLY A 84 -11.499 9.211 -7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.148 11.414 -7.019 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.579 11.063 -6.323 1.00 0.00 H new ATOM 1319 N THR A 85 -9.917 12.573 -8.863 1.00 0.00 N ATOM 1320 CA THR A 85 -9.347 13.169 -10.064 1.00 0.00 C ATOM 1321 C THR A 85 -7.831 13.287 -9.953 1.00 0.00 C ATOM 1322 O THR A 85 -7.238 12.873 -8.957 1.00 0.00 O ATOM 1323 CB THR A 85 -9.940 14.565 -10.335 1.00 0.00 C ATOM 1324 OG1 THR A 85 -9.710 14.938 -11.698 1.00 0.00 O ATOM 1325 CG2 THR A 85 -9.326 15.603 -9.409 1.00 0.00 C ATOM 0 H THR A 85 -10.607 13.156 -8.390 1.00 0.00 H new ATOM 0 HA THR A 85 -9.598 12.508 -10.894 1.00 0.00 H new ATOM 0 HB THR A 85 -11.013 14.523 -10.146 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.091 15.826 -11.863 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.760 16.580 -9.619 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.528 15.331 -8.373 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.249 15.642 -9.570 1.00 0.00 H new ATOM 1333 N SER A 86 -7.209 13.855 -10.981 1.00 0.00 N ATOM 1334 CA SER A 86 -5.761 14.024 -11.000 1.00 0.00 C ATOM 1335 C SER A 86 -5.319 15.037 -9.948 1.00 0.00 C ATOM 1336 O SER A 86 -4.408 14.775 -9.162 1.00 0.00 O ATOM 1337 CB SER A 86 -5.297 14.475 -12.386 1.00 0.00 C ATOM 1338 OG SER A 86 -5.392 13.418 -13.325 1.00 0.00 O ATOM 0 H SER A 86 -7.685 14.206 -11.812 1.00 0.00 H new ATOM 0 HA SER A 86 -5.304 13.062 -10.768 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.903 15.317 -12.719 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.266 14.826 -12.332 1.00 0.00 H new ATOM 0 HG SER A 86 -5.091 13.732 -14.203 1.00 0.00 H new ATOM 1344 N ILE A 87 -5.970 16.195 -9.941 1.00 0.00 N ATOM 1345 CA ILE A 87 -5.646 17.248 -8.986 1.00 0.00 C ATOM 1346 C ILE A 87 -5.701 16.727 -7.554 1.00 0.00 C ATOM 1347 O ILE A 87 -4.697 16.732 -6.842 1.00 0.00 O ATOM 1348 CB ILE A 87 -6.605 18.446 -9.122 1.00 0.00 C ATOM 1349 CG1 ILE A 87 -6.442 19.105 -10.493 1.00 0.00 C ATOM 1350 CG2 ILE A 87 -6.353 19.454 -8.011 1.00 0.00 C ATOM 1351 CD1 ILE A 87 -7.685 19.823 -10.970 1.00 0.00 C ATOM 0 H ILE A 87 -6.725 16.428 -10.586 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.632 17.578 -9.212 1.00 0.00 H new ATOM 0 HB ILE A 87 -7.629 18.084 -9.033 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.616 19.815 -10.450 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.170 18.343 -11.223 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.038 20.295 -8.120 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -6.515 18.978 -7.044 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -5.326 19.813 -8.071 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.497 20.266 -11.948 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.509 19.113 -11.046 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.947 20.608 -10.260 1.00 0.00 H new ATOM 1363 N ALA A 88 -6.880 16.276 -7.139 1.00 0.00 N ATOM 1364 CA ALA A 88 -7.065 15.747 -5.793 1.00 0.00 C ATOM 1365 C ALA A 88 -6.062 14.637 -5.497 1.00 0.00 C ATOM 1366 O ALA A 88 -5.624 14.471 -4.358 1.00 0.00 O ATOM 1367 CB ALA A 88 -8.488 15.237 -5.618 1.00 0.00 C ATOM 0 H ALA A 88 -7.721 16.266 -7.715 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.891 16.556 -5.083 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.612 14.845 -4.609 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -9.190 16.055 -5.778 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.682 14.445 -6.341 1.00 0.00 H new ATOM 1373 N PHE A 89 -5.704 13.879 -6.528 1.00 0.00 N ATOM 1374 CA PHE A 89 -4.754 12.783 -6.377 1.00 0.00 C ATOM 1375 C PHE A 89 -3.379 13.307 -5.972 1.00 0.00 C ATOM 1376 O PHE A 89 -2.799 12.863 -4.981 1.00 0.00 O ATOM 1377 CB PHE A 89 -4.647 11.990 -7.681 1.00 0.00 C ATOM 1378 CG PHE A 89 -3.594 10.919 -7.646 1.00 0.00 C ATOM 1379 CD1 PHE A 89 -3.597 9.958 -6.647 1.00 0.00 C ATOM 1380 CD2 PHE A 89 -2.602 10.873 -8.612 1.00 0.00 C ATOM 1381 CE1 PHE A 89 -2.630 8.971 -6.613 1.00 0.00 C ATOM 1382 CE2 PHE A 89 -1.633 9.888 -8.582 1.00 0.00 C ATOM 1383 CZ PHE A 89 -1.646 8.937 -7.581 1.00 0.00 C ATOM 0 H PHE A 89 -6.057 14.003 -7.477 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.119 12.125 -5.589 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.612 11.533 -7.899 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.428 12.677 -8.498 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.364 9.981 -5.887 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.586 11.615 -9.397 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.644 8.227 -5.830 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.866 9.862 -9.342 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.888 8.168 -7.555 1.00 0.00 H new ATOM 1393 N LYS A 90 -2.862 14.254 -6.747 1.00 0.00 N ATOM 1394 CA LYS A 90 -1.556 14.841 -6.472 1.00 0.00 C ATOM 1395 C LYS A 90 -1.563 15.584 -5.140 1.00 0.00 C ATOM 1396 O LYS A 90 -0.600 15.518 -4.377 1.00 0.00 O ATOM 1397 CB LYS A 90 -1.155 15.796 -7.598 1.00 0.00 C ATOM 1398 CG LYS A 90 0.296 16.240 -7.532 1.00 0.00 C ATOM 1399 CD LYS A 90 0.462 17.479 -6.669 1.00 0.00 C ATOM 1400 CE LYS A 90 -0.135 18.708 -7.337 1.00 0.00 C ATOM 1401 NZ LYS A 90 0.505 19.965 -6.860 1.00 0.00 N ATOM 0 H LYS A 90 -3.328 14.632 -7.572 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.828 14.032 -6.413 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.334 15.309 -8.557 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.797 16.676 -7.563 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.907 15.431 -7.130 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.661 16.445 -8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.019 17.319 -5.704 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.521 17.648 -6.473 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.016 18.628 -8.418 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.206 18.747 -7.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.070 20.779 -7.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.370 20.055 -5.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.522 19.940 -7.075 1.00 0.00 H new ATOM 1415 N ASN A 91 -2.656 16.288 -4.866 1.00 0.00 N ATOM 1416 CA ASN A 91 -2.789 17.043 -3.625 1.00 0.00 C ATOM 1417 C ASN A 91 -2.153 16.289 -2.460 1.00 0.00 C ATOM 1418 O ASN A 91 -1.227 16.786 -1.818 1.00 0.00 O ATOM 1419 CB ASN A 91 -4.264 17.317 -3.325 1.00 0.00 C ATOM 1420 CG ASN A 91 -4.765 18.580 -3.999 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -3.988 19.337 -4.580 1.00 0.00 O ATOM 1422 ND2 ASN A 91 -6.070 18.812 -3.923 1.00 0.00 N ATOM 0 H ASN A 91 -3.463 16.352 -5.487 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.268 17.993 -3.749 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.863 16.469 -3.657 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.403 17.404 -2.247 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -6.466 19.646 -4.357 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -6.677 18.156 -3.431 1.00 0.00 H new ATOM 1429 N ILE A 92 -2.656 15.088 -2.194 1.00 0.00 N ATOM 1430 CA ILE A 92 -2.137 14.266 -1.109 1.00 0.00 C ATOM 1431 C ILE A 92 -0.802 13.635 -1.488 1.00 0.00 C ATOM 1432 O ILE A 92 0.066 13.437 -0.638 1.00 0.00 O ATOM 1433 CB ILE A 92 -3.128 13.152 -0.723 1.00 0.00 C ATOM 1434 CG1 ILE A 92 -2.618 12.388 0.501 1.00 0.00 C ATOM 1435 CG2 ILE A 92 -3.341 12.204 -1.894 1.00 0.00 C ATOM 1436 CD1 ILE A 92 -2.652 13.200 1.777 1.00 0.00 C ATOM 0 H ILE A 92 -3.423 14.663 -2.716 1.00 0.00 H new ATOM 0 HA ILE A 92 -1.994 14.926 -0.253 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.085 13.608 -0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.220 11.490 0.635 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.595 12.061 0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.044 11.422 -1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.742 12.758 -2.742 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.390 11.752 -2.174 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.277 12.596 2.603 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.027 14.085 1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.677 13.505 1.987 1.00 0.00 H new ATOM 1448 N ALA A 93 -0.643 13.323 -2.770 1.00 0.00 N ATOM 1449 CA ALA A 93 0.588 12.718 -3.263 1.00 0.00 C ATOM 1450 C ALA A 93 1.811 13.487 -2.774 1.00 0.00 C ATOM 1451 O ALA A 93 2.823 12.892 -2.405 1.00 0.00 O ATOM 1452 CB ALA A 93 0.573 12.655 -4.783 1.00 0.00 C ATOM 0 H ALA A 93 -1.352 13.479 -3.486 1.00 0.00 H new ATOM 0 HA ALA A 93 0.649 11.703 -2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.498 12.201 -5.137 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.275 12.056 -5.114 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.485 13.663 -5.188 1.00 0.00 H new ATOM 1458 N SER A 94 1.711 14.812 -2.777 1.00 0.00 N ATOM 1459 CA SER A 94 2.811 15.663 -2.338 1.00 0.00 C ATOM 1460 C SER A 94 2.988 15.585 -0.825 1.00 0.00 C ATOM 1461 O SER A 94 4.086 15.788 -0.305 1.00 0.00 O ATOM 1462 CB SER A 94 2.562 17.112 -2.760 1.00 0.00 C ATOM 1463 OG SER A 94 3.784 17.805 -2.952 1.00 0.00 O ATOM 0 H SER A 94 0.879 15.320 -3.079 1.00 0.00 H new ATOM 0 HA SER A 94 3.725 15.306 -2.812 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.981 17.131 -3.682 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.969 17.619 -1.999 1.00 0.00 H new ATOM 0 HG SER A 94 3.597 18.728 -3.223 1.00 0.00 H new ATOM 1469 N LYS A 95 1.900 15.289 -0.123 1.00 0.00 N ATOM 1470 CA LYS A 95 1.933 15.182 1.331 1.00 0.00 C ATOM 1471 C LYS A 95 2.724 13.953 1.769 1.00 0.00 C ATOM 1472 O LYS A 95 3.321 13.940 2.845 1.00 0.00 O ATOM 1473 CB LYS A 95 0.510 15.111 1.890 1.00 0.00 C ATOM 1474 CG LYS A 95 -0.333 16.332 1.566 1.00 0.00 C ATOM 1475 CD LYS A 95 0.125 17.550 2.351 1.00 0.00 C ATOM 1476 CE LYS A 95 -0.337 17.484 3.799 1.00 0.00 C ATOM 1477 NZ LYS A 95 -1.774 17.846 3.940 1.00 0.00 N ATOM 0 H LYS A 95 0.984 15.119 -0.537 1.00 0.00 H new ATOM 0 HA LYS A 95 2.428 16.070 1.724 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.017 14.224 1.493 1.00 0.00 H new ATOM 0 HB3 LYS A 95 0.559 14.991 2.972 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.274 16.543 0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.379 16.124 1.793 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.212 17.618 2.317 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.266 18.454 1.884 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.176 16.478 4.186 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.268 18.159 4.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -2.037 17.838 4.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.933 18.796 3.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.358 17.157 3.424 1.00 0.00 H new ATOM 1491 N ILE A 96 2.725 12.925 0.927 1.00 0.00 N ATOM 1492 CA ILE A 96 3.446 11.694 1.226 1.00 0.00 C ATOM 1493 C ILE A 96 4.888 11.768 0.737 1.00 0.00 C ATOM 1494 O ILE A 96 5.828 11.652 1.523 1.00 0.00 O ATOM 1495 CB ILE A 96 2.761 10.472 0.587 1.00 0.00 C ATOM 1496 CG1 ILE A 96 1.258 10.496 0.870 1.00 0.00 C ATOM 1497 CG2 ILE A 96 3.383 9.184 1.108 1.00 0.00 C ATOM 1498 CD1 ILE A 96 0.921 10.708 2.330 1.00 0.00 C ATOM 0 H ILE A 96 2.235 12.920 0.033 1.00 0.00 H new ATOM 0 HA ILE A 96 3.439 11.579 2.310 1.00 0.00 H new ATOM 0 HB ILE A 96 2.909 10.514 -0.492 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.798 11.289 0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.819 9.556 0.537 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.888 8.329 0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.444 9.166 0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.262 9.133 2.190 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.162 10.714 2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.351 9.901 2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.330 11.662 2.663 1.00 0.00 H new ATOM 1510 N ALA A 97 5.056 11.964 -0.567 1.00 0.00 N ATOM 1511 CA ALA A 97 6.384 12.058 -1.161 1.00 0.00 C ATOM 1512 C ALA A 97 7.316 12.894 -0.291 1.00 0.00 C ATOM 1513 O ALA A 97 8.486 12.556 -0.115 1.00 0.00 O ATOM 1514 CB ALA A 97 6.295 12.647 -2.561 1.00 0.00 C ATOM 0 H ALA A 97 4.289 12.061 -1.232 1.00 0.00 H new ATOM 0 HA ALA A 97 6.798 11.052 -1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.294 12.712 -2.993 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.670 12.008 -3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.857 13.644 -2.509 1.00 0.00 H new ATOM 1520 N ASN A 98 6.790 13.988 0.250 1.00 0.00 N ATOM 1521 CA ASN A 98 7.577 14.874 1.101 1.00 0.00 C ATOM 1522 C ASN A 98 7.739 14.284 2.498 1.00 0.00 C ATOM 1523 O ASN A 98 8.847 13.945 2.914 1.00 0.00 O ATOM 1524 CB ASN A 98 6.914 16.250 1.191 1.00 0.00 C ATOM 1525 CG ASN A 98 7.680 17.203 2.088 1.00 0.00 C ATOM 1526 OD1 ASN A 98 8.857 17.481 1.857 1.00 0.00 O ATOM 1527 ND2 ASN A 98 7.013 17.709 3.119 1.00 0.00 N ATOM 0 H ASN A 98 5.823 14.282 0.115 1.00 0.00 H new ATOM 0 HA ASN A 98 8.565 14.982 0.654 1.00 0.00 H new ATOM 0 HB2 ASN A 98 6.836 16.679 0.192 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.898 16.137 1.569 1.00 0.00 H new ATOM 0 HD21 ASN A 98 7.476 18.356 3.758 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.038 17.451 3.272 1.00 0.00 H new ATOM 1534 N GLU A 99 6.627 14.164 3.217 1.00 0.00 N ATOM 1535 CA GLU A 99 6.647 13.614 4.568 1.00 0.00 C ATOM 1536 C GLU A 99 7.638 12.458 4.670 1.00 0.00 C ATOM 1537 O GLU A 99 8.448 12.400 5.596 1.00 0.00 O ATOM 1538 CB GLU A 99 5.249 13.139 4.969 1.00 0.00 C ATOM 1539 CG GLU A 99 4.290 14.273 5.289 1.00 0.00 C ATOM 1540 CD GLU A 99 4.598 14.943 6.614 1.00 0.00 C ATOM 1541 OE1 GLU A 99 4.678 14.228 7.635 1.00 0.00 O ATOM 1542 OE2 GLU A 99 4.760 16.181 6.630 1.00 0.00 O ATOM 0 H GLU A 99 5.702 14.440 2.887 1.00 0.00 H new ATOM 0 HA GLU A 99 6.964 14.403 5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.832 12.539 4.160 1.00 0.00 H new ATOM 0 HB3 GLU A 99 5.331 12.487 5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 99 4.333 15.016 4.492 1.00 0.00 H new ATOM 0 HG3 GLU A 99 3.271 13.887 5.310 1.00 0.00 H new ATOM 1549 N LEU A 100 7.567 11.539 3.714 1.00 0.00 N ATOM 1550 CA LEU A 100 8.457 10.383 3.695 1.00 0.00 C ATOM 1551 C LEU A 100 9.847 10.759 4.197 1.00 0.00 C ATOM 1552 O LEU A 100 10.619 11.410 3.492 1.00 0.00 O ATOM 1553 CB LEU A 100 8.550 9.809 2.280 1.00 0.00 C ATOM 1554 CG LEU A 100 7.352 8.983 1.811 1.00 0.00 C ATOM 1555 CD1 LEU A 100 7.452 8.697 0.320 1.00 0.00 C ATOM 1556 CD2 LEU A 100 7.257 7.686 2.599 1.00 0.00 C ATOM 0 H LEU A 100 6.902 11.572 2.941 1.00 0.00 H new ATOM 0 HA LEU A 100 8.043 9.625 4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.692 10.635 1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.442 9.185 2.220 1.00 0.00 H new ATOM 0 HG LEU A 100 6.445 9.560 1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.591 8.108 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.470 9.638 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.367 8.140 0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.399 7.111 2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.167 7.104 2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.137 7.912 3.659 1.00 0.00 H new ATOM 1568 N LYS A 101 10.162 10.342 5.418 1.00 0.00 N ATOM 1569 CA LYS A 101 11.461 10.631 6.014 1.00 0.00 C ATOM 1570 C LYS A 101 12.513 9.635 5.536 1.00 0.00 C ATOM 1571 O LYS A 101 13.294 9.111 6.332 1.00 0.00 O ATOM 1572 CB LYS A 101 11.365 10.593 7.541 1.00 0.00 C ATOM 1573 CG LYS A 101 10.832 11.879 8.149 1.00 0.00 C ATOM 1574 CD LYS A 101 11.852 13.002 8.060 1.00 0.00 C ATOM 1575 CE LYS A 101 12.883 12.908 9.174 1.00 0.00 C ATOM 1576 NZ LYS A 101 12.286 13.193 10.508 1.00 0.00 N ATOM 0 H LYS A 101 9.535 9.802 6.015 1.00 0.00 H new ATOM 0 HA LYS A 101 11.762 11.630 5.700 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.718 9.766 7.836 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.353 10.388 7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.918 12.175 7.634 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.568 11.707 9.193 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.354 12.963 7.094 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.342 13.964 8.115 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.323 11.911 9.179 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.692 13.612 8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.037 13.469 11.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 11.597 13.968 10.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.806 12.341 10.863 1.00 0.00 H new ATOM 1590 N LEU A 102 12.528 9.378 4.233 1.00 0.00 N ATOM 1591 CA LEU A 102 13.486 8.446 3.648 1.00 0.00 C ATOM 1592 C LEU A 102 14.772 9.163 3.251 1.00 0.00 C ATOM 1593 O LEU A 102 14.810 9.883 2.253 1.00 0.00 O ATOM 1594 CB LEU A 102 12.875 7.756 2.427 1.00 0.00 C ATOM 1595 CG LEU A 102 11.603 6.946 2.680 1.00 0.00 C ATOM 1596 CD1 LEU A 102 10.845 6.722 1.380 1.00 0.00 C ATOM 1597 CD2 LEU A 102 11.938 5.617 3.340 1.00 0.00 C ATOM 0 H LEU A 102 11.888 9.802 3.561 1.00 0.00 H new ATOM 0 HA LEU A 102 13.729 7.694 4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.655 8.516 1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.625 7.092 1.997 1.00 0.00 H new ATOM 0 HG LEU A 102 10.964 7.513 3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.943 6.144 1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.571 7.685 0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.477 6.177 0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.020 5.055 3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.598 5.044 2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.436 5.799 4.292 1.00 0.00 H new TER 1609 LEU A 102