USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 992 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 82 CYS SG : rot 180:sc= 0.359 USER MOD Set 1.2: A 100 GLN : amide:sc= 1.01 K(o=1.4,f=-7.8!) USER MOD Set 2.1: A 78 SER OG : rot -110:sc= 1.43 USER MOD Set 2.2: A 80 CYS SG : rot 90:sc= 0.0697 USER MOD Set 3.1: A 43 HIS : no HE2:sc= 0.414 K(o=0.99,f=-0.14) USER MOD Set 3.2: A 45 THR OG1 : rot 101:sc= 0.576 USER MOD Set 4.1: A 40 SER OG : rot 180:sc= 0.461 USER MOD Set 4.2: A 62 SER OG : rot 162:sc= 0.502 USER MOD Set 5.1: A 16 GLN : amide:sc= 1.24 K(o=7.2,f=-1.9!) USER MOD Set 5.2: A 23 LYS NZ :NH3+ 148:sc= 3.58 (180deg=0.438) USER MOD Set 5.3: A 34 SER OG : rot -97:sc= 1.23 USER MOD Set 5.4: A 60 GLN : amide:sc= 1.19! C(o=7.2!,f=-1.7!) USER MOD Set 6.1: A 11 ASN : amide:sc= 2.53 K(o=2.5,f=-3.5!) USER MOD Set 6.2: A 13 CYS SG : rot 90:sc= 0 USER MOD Set 7.1: A 5 MET CE :methyl -164:sc= 0 (180deg=-0.762) USER MOD Set 7.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 8.1: A 2 LYS NZ :NH3+ 176:sc= 0.317 (180deg=0) USER MOD Set 8.2: A 131 SER OG : rot -163:sc= 0.416 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.00885 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 167:sc= 1.26 (180deg=1.2) USER MOD Single : A 8 CYS SG : rot -162:sc= 0.2 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 120:sc= 0.69 USER MOD Single : A 15 SER OG : rot 180:sc= -0.132 USER MOD Single : A 17 MET CE :methyl 148:sc= -1.15 (180deg=-1.98) USER MOD Single : A 24 THR OG1 : rot -150:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -152:sc= 1.26 (180deg=1) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 56:sc= -0.0906 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0176 USER MOD Single : A 49 MET CE :methyl -161:sc= -0.0846 (180deg=-0.208) USER MOD Single : A 50 MET CE :methyl -153:sc= 0 (180deg=-0.49) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0883 USER MOD Single : A 67 ASN : amide:sc= 2.5 K(o=2.5,f=-0.006) USER MOD Single : A 69 ASN : amide:sc= 0.961 K(o=0.96,f=-0.061) USER MOD Single : A 85 ASN : amide:sc=-0.000103 K(o=-0.0001,f=-0.83) USER MOD Single : A 92 THR OG1 : rot -35:sc= 0.335 USER MOD Single : A 93 GLN : amide:sc= -0.681! C(o=-0.68!,f=-5!) USER MOD Single : A 107 GLN : amide:sc= 1.97 K(o=2,f=-0.17) USER MOD Single : A 108 SER OG : rot 180:sc= 0.415 USER MOD Single : A 114 THR OG1 : rot 73:sc= 1.14 USER MOD Single : A 118 GLN : amide:sc= 0.337 X(o=0.34,f=-0.0048) USER MOD Single : A 120 LYS NZ :NH3+ -152:sc= 1.28 (180deg=1.12) USER MOD Single : A 125 ASN : amide:sc= 0.335 X(o=0.34,f=-0.051) USER MOD Single : A 129 LYS NZ :NH3+ 175:sc= 1.26 (180deg=1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.812 2.494 1.079 1.00 0.00 N ATOM 2 CA MET A 1 3.881 2.190 -0.389 1.00 0.00 C ATOM 3 C MET A 1 4.827 1.002 -0.665 1.00 0.00 C ATOM 4 O MET A 1 5.861 0.881 -0.012 1.00 0.00 O ATOM 5 CB MET A 1 4.269 3.454 -1.208 1.00 0.00 C ATOM 6 CG MET A 1 4.307 3.243 -2.732 1.00 0.00 C ATOM 7 SD MET A 1 4.608 4.737 -3.720 1.00 0.00 S ATOM 8 CE MET A 1 2.950 5.477 -3.712 1.00 0.00 C ATOM 0 H1 MET A 1 3.919 3.518 1.227 1.00 0.00 H new ATOM 0 H2 MET A 1 2.893 2.184 1.455 1.00 0.00 H new ATOM 0 H3 MET A 1 4.576 1.991 1.574 1.00 0.00 H new ATOM 0 HA MET A 1 2.887 1.891 -0.721 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.559 4.249 -0.982 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.249 3.798 -0.878 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.084 2.514 -2.961 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.358 2.806 -3.045 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.964 6.407 -4.280 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.241 4.785 -4.167 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.648 5.683 -2.685 1.00 0.00 H new ATOM 18 N LYS A 2 4.503 0.140 -1.650 1.00 0.00 N ATOM 19 CA LYS A 2 5.327 -1.022 -2.051 1.00 0.00 C ATOM 20 C LYS A 2 6.612 -0.581 -2.739 1.00 0.00 C ATOM 21 O LYS A 2 6.570 0.297 -3.602 1.00 0.00 O ATOM 22 CB LYS A 2 4.552 -1.984 -2.972 1.00 0.00 C ATOM 23 CG LYS A 2 3.216 -2.512 -2.413 1.00 0.00 C ATOM 24 CD LYS A 2 2.379 -3.189 -3.518 1.00 0.00 C ATOM 25 CE LYS A 2 1.742 -2.206 -4.523 1.00 0.00 C ATOM 26 NZ LYS A 2 0.458 -1.610 -4.046 1.00 0.00 N ATOM 0 H LYS A 2 3.648 0.232 -2.199 1.00 0.00 H new ATOM 0 HA LYS A 2 5.581 -1.553 -1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.354 -1.475 -3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.193 -2.836 -3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.410 -3.225 -1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.650 -1.689 -1.977 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.015 -3.887 -4.063 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.588 -3.776 -3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.450 -1.404 -4.732 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.564 -2.726 -5.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.121 -0.911 -4.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.254 -2.360 -3.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.611 -1.143 -3.129 1.00 0.00 H new ATOM 40 N LYS A 3 7.727 -1.236 -2.424 1.00 0.00 N ATOM 41 CA LYS A 3 9.022 -1.019 -3.082 1.00 0.00 C ATOM 42 C LYS A 3 9.383 -2.202 -3.980 1.00 0.00 C ATOM 43 O LYS A 3 9.368 -3.353 -3.553 1.00 0.00 O ATOM 44 CB LYS A 3 10.072 -0.717 -2.003 1.00 0.00 C ATOM 45 CG LYS A 3 11.366 -0.088 -2.545 1.00 0.00 C ATOM 46 CD LYS A 3 12.363 0.242 -1.419 1.00 0.00 C ATOM 47 CE LYS A 3 11.771 1.218 -0.387 1.00 0.00 C ATOM 48 NZ LYS A 3 12.772 1.596 0.649 1.00 0.00 N ATOM 0 H LYS A 3 7.761 -1.946 -1.692 1.00 0.00 H new ATOM 0 HA LYS A 3 8.977 -0.159 -3.750 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.635 -0.045 -1.265 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.320 -1.643 -1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 3 11.833 -0.773 -3.253 1.00 0.00 H new ATOM 0 HG3 LYS A 3 11.124 0.822 -3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 3 12.660 -0.679 -0.917 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.266 0.675 -1.850 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.417 2.115 -0.895 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.906 0.760 0.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.419 2.410 1.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 12.927 0.793 1.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 13.669 1.849 0.189 1.00 0.00 H new ATOM 62 N VAL A 4 9.697 -1.889 -5.233 1.00 0.00 N ATOM 63 CA VAL A 4 10.058 -2.834 -6.294 1.00 0.00 C ATOM 64 C VAL A 4 11.576 -2.853 -6.472 1.00 0.00 C ATOM 65 O VAL A 4 12.163 -1.829 -6.819 1.00 0.00 O ATOM 66 CB VAL A 4 9.357 -2.468 -7.617 1.00 0.00 C ATOM 67 CG1 VAL A 4 9.639 -3.527 -8.688 1.00 0.00 C ATOM 68 CG2 VAL A 4 7.832 -2.376 -7.472 1.00 0.00 C ATOM 0 H VAL A 4 9.708 -0.922 -5.556 1.00 0.00 H new ATOM 0 HA VAL A 4 9.723 -3.831 -6.006 1.00 0.00 H new ATOM 0 HB VAL A 4 9.755 -1.494 -7.902 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.136 -3.251 -9.614 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.713 -3.590 -8.863 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.269 -4.495 -8.349 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.390 -2.115 -8.434 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.439 -3.337 -7.141 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.582 -1.610 -6.738 1.00 0.00 H new ATOM 78 N MET A 5 12.216 -4.005 -6.273 1.00 0.00 N ATOM 79 CA MET A 5 13.630 -4.195 -6.631 1.00 0.00 C ATOM 80 C MET A 5 13.715 -4.885 -7.990 1.00 0.00 C ATOM 81 O MET A 5 13.156 -5.969 -8.146 1.00 0.00 O ATOM 82 CB MET A 5 14.372 -5.018 -5.563 1.00 0.00 C ATOM 83 CG MET A 5 15.872 -5.150 -5.870 1.00 0.00 C ATOM 84 SD MET A 5 16.842 -3.624 -5.733 1.00 0.00 S ATOM 85 CE MET A 5 17.420 -3.787 -4.022 1.00 0.00 C ATOM 0 H MET A 5 11.777 -4.829 -5.863 1.00 0.00 H new ATOM 0 HA MET A 5 14.112 -3.219 -6.685 1.00 0.00 H new ATOM 0 HB2 MET A 5 14.242 -4.547 -4.589 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.927 -6.011 -5.498 1.00 0.00 H new ATOM 0 HG2 MET A 5 16.298 -5.891 -5.194 1.00 0.00 H new ATOM 0 HG3 MET A 5 15.984 -5.540 -6.882 1.00 0.00 H new ATOM 0 HE1 MET A 5 17.789 -2.824 -3.669 1.00 0.00 H new ATOM 0 HE2 MET A 5 16.595 -4.114 -3.389 1.00 0.00 H new ATOM 0 HE3 MET A 5 18.224 -4.521 -3.978 1.00 0.00 H new ATOM 95 N PHE A 6 14.456 -4.319 -8.941 1.00 0.00 N ATOM 96 CA PHE A 6 14.783 -4.987 -10.203 1.00 0.00 C ATOM 97 C PHE A 6 16.213 -5.540 -10.182 1.00 0.00 C ATOM 98 O PHE A 6 17.165 -4.791 -9.960 1.00 0.00 O ATOM 99 CB PHE A 6 14.519 -4.050 -11.382 1.00 0.00 C ATOM 100 CG PHE A 6 13.042 -3.859 -11.672 1.00 0.00 C ATOM 101 CD1 PHE A 6 12.335 -4.843 -12.385 1.00 0.00 C ATOM 102 CD2 PHE A 6 12.359 -2.724 -11.206 1.00 0.00 C ATOM 103 CE1 PHE A 6 10.970 -4.669 -12.683 1.00 0.00 C ATOM 104 CE2 PHE A 6 10.997 -2.543 -11.516 1.00 0.00 C ATOM 105 CZ PHE A 6 10.306 -3.502 -12.280 1.00 0.00 C ATOM 0 H PHE A 6 14.849 -3.381 -8.859 1.00 0.00 H new ATOM 0 HA PHE A 6 14.129 -5.850 -10.330 1.00 0.00 H new ATOM 0 HB2 PHE A 6 14.971 -3.080 -11.175 1.00 0.00 H new ATOM 0 HB3 PHE A 6 15.009 -4.447 -12.271 1.00 0.00 H new ATOM 0 HD1 PHE A 6 12.843 -5.740 -12.707 1.00 0.00 H new ATOM 0 HD2 PHE A 6 12.879 -1.989 -10.609 1.00 0.00 H new ATOM 0 HE1 PHE A 6 10.434 -5.436 -13.223 1.00 0.00 H new ATOM 0 HE2 PHE A 6 10.479 -1.662 -11.165 1.00 0.00 H new ATOM 0 HZ PHE A 6 9.274 -3.340 -12.553 1.00 0.00 H new ATOM 115 N VAL A 7 16.372 -6.848 -10.413 1.00 0.00 N ATOM 116 CA VAL A 7 17.651 -7.570 -10.250 1.00 0.00 C ATOM 117 C VAL A 7 18.112 -8.290 -11.518 1.00 0.00 C ATOM 118 O VAL A 7 17.309 -8.742 -12.327 1.00 0.00 O ATOM 119 CB VAL A 7 17.664 -8.498 -9.013 1.00 0.00 C ATOM 120 CG1 VAL A 7 17.264 -7.743 -7.744 1.00 0.00 C ATOM 121 CG2 VAL A 7 16.744 -9.714 -9.124 1.00 0.00 C ATOM 0 H VAL A 7 15.608 -7.449 -10.723 1.00 0.00 H new ATOM 0 HA VAL A 7 18.392 -6.793 -10.064 1.00 0.00 H new ATOM 0 HB VAL A 7 18.694 -8.850 -8.962 1.00 0.00 H new ATOM 0 HG11 VAL A 7 17.283 -8.425 -6.894 1.00 0.00 H new ATOM 0 HG12 VAL A 7 17.965 -6.926 -7.570 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.258 -7.339 -7.862 1.00 0.00 H new ATOM 0 HG21 VAL A 7 16.816 -10.309 -8.214 1.00 0.00 H new ATOM 0 HG22 VAL A 7 15.715 -9.381 -9.259 1.00 0.00 H new ATOM 0 HG23 VAL A 7 17.044 -10.321 -9.978 1.00 0.00 H new ATOM 131 N CYS A 8 19.428 -8.405 -11.689 1.00 0.00 N ATOM 132 CA CYS A 8 20.079 -9.114 -12.802 1.00 0.00 C ATOM 133 C CYS A 8 21.387 -9.750 -12.295 1.00 0.00 C ATOM 134 O CYS A 8 21.929 -9.297 -11.290 1.00 0.00 O ATOM 135 CB CYS A 8 20.310 -8.089 -13.932 1.00 0.00 C ATOM 136 SG CYS A 8 20.986 -8.865 -15.434 1.00 0.00 S ATOM 0 H CYS A 8 20.097 -7.995 -11.038 1.00 0.00 H new ATOM 0 HA CYS A 8 19.464 -9.925 -13.193 1.00 0.00 H new ATOM 0 HB2 CYS A 8 19.368 -7.596 -14.172 1.00 0.00 H new ATOM 0 HB3 CYS A 8 20.995 -7.315 -13.585 1.00 0.00 H new ATOM 0 HG CYS A 8 21.518 -7.953 -16.192 1.00 0.00 H new ATOM 142 N LYS A 9 21.927 -10.774 -12.968 1.00 0.00 N ATOM 143 CA LYS A 9 23.180 -11.440 -12.538 1.00 0.00 C ATOM 144 C LYS A 9 24.373 -10.473 -12.558 1.00 0.00 C ATOM 145 O LYS A 9 25.088 -10.360 -11.566 1.00 0.00 O ATOM 146 CB LYS A 9 23.384 -12.707 -13.398 1.00 0.00 C ATOM 147 CG LYS A 9 24.541 -13.589 -12.898 1.00 0.00 C ATOM 148 CD LYS A 9 24.613 -14.896 -13.706 1.00 0.00 C ATOM 149 CE LYS A 9 25.696 -15.865 -13.196 1.00 0.00 C ATOM 150 NZ LYS A 9 27.081 -15.421 -13.529 1.00 0.00 N ATOM 0 H LYS A 9 21.520 -11.166 -13.817 1.00 0.00 H new ATOM 0 HA LYS A 9 23.103 -11.753 -11.497 1.00 0.00 H new ATOM 0 HB2 LYS A 9 22.463 -13.291 -13.400 1.00 0.00 H new ATOM 0 HB3 LYS A 9 23.577 -12.413 -14.430 1.00 0.00 H new ATOM 0 HG2 LYS A 9 25.483 -13.048 -12.987 1.00 0.00 H new ATOM 0 HG3 LYS A 9 24.402 -13.816 -11.841 1.00 0.00 H new ATOM 0 HD2 LYS A 9 23.643 -15.393 -13.669 1.00 0.00 H new ATOM 0 HD3 LYS A 9 24.810 -14.659 -14.752 1.00 0.00 H new ATOM 0 HE2 LYS A 9 25.604 -15.967 -12.115 1.00 0.00 H new ATOM 0 HE3 LYS A 9 25.524 -16.852 -13.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 27.765 -16.112 -13.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 27.184 -15.349 -14.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 27.261 -14.492 -13.097 1.00 0.00 H new ATOM 164 N ARG A 10 24.519 -9.733 -13.666 1.00 0.00 N ATOM 165 CA ARG A 10 25.549 -8.679 -13.865 1.00 0.00 C ATOM 166 C ARG A 10 25.110 -7.482 -14.718 1.00 0.00 C ATOM 167 O ARG A 10 25.475 -6.356 -14.397 1.00 0.00 O ATOM 168 CB ARG A 10 26.825 -9.332 -14.461 1.00 0.00 C ATOM 169 CG ARG A 10 27.992 -9.344 -13.465 1.00 0.00 C ATOM 170 CD ARG A 10 28.596 -7.947 -13.252 1.00 0.00 C ATOM 171 NE ARG A 10 29.405 -7.903 -12.020 1.00 0.00 N ATOM 172 CZ ARG A 10 30.692 -8.155 -11.867 1.00 0.00 C ATOM 173 NH1 ARG A 10 31.472 -8.494 -12.854 1.00 0.00 N ATOM 174 NH2 ARG A 10 31.210 -8.072 -10.678 1.00 0.00 N ATOM 0 H ARG A 10 23.911 -9.847 -14.477 1.00 0.00 H new ATOM 0 HA ARG A 10 25.741 -8.253 -12.880 1.00 0.00 H new ATOM 0 HB2 ARG A 10 26.599 -10.354 -14.765 1.00 0.00 H new ATOM 0 HB3 ARG A 10 27.122 -8.790 -15.359 1.00 0.00 H new ATOM 0 HG2 ARG A 10 27.646 -9.737 -12.509 1.00 0.00 H new ATOM 0 HG3 ARG A 10 28.767 -10.021 -13.826 1.00 0.00 H new ATOM 0 HD2 ARG A 10 29.216 -7.681 -14.108 1.00 0.00 H new ATOM 0 HD3 ARG A 10 27.798 -7.207 -13.194 1.00 0.00 H new ATOM 0 HE ARG A 10 28.903 -7.643 -11.171 1.00 0.00 H new ATOM 0 HH11 ARG A 10 31.094 -8.575 -13.798 1.00 0.00 H new ATOM 0 HH12 ARG A 10 32.460 -8.678 -12.683 1.00 0.00 H new ATOM 0 HH21 ARG A 10 30.624 -7.816 -9.883 1.00 0.00 H new ATOM 0 HH22 ARG A 10 32.202 -8.263 -10.540 1.00 0.00 H new ATOM 188 N ASN A 11 24.361 -7.698 -15.806 1.00 0.00 N ATOM 189 CA ASN A 11 24.091 -6.633 -16.786 1.00 0.00 C ATOM 190 C ASN A 11 23.041 -5.610 -16.323 1.00 0.00 C ATOM 191 O ASN A 11 21.835 -5.870 -16.327 1.00 0.00 O ATOM 192 CB ASN A 11 23.752 -7.244 -18.162 1.00 0.00 C ATOM 193 CG ASN A 11 23.738 -6.185 -19.265 1.00 0.00 C ATOM 194 OD1 ASN A 11 24.086 -5.030 -19.063 1.00 0.00 O ATOM 195 ND2 ASN A 11 23.318 -6.535 -20.449 1.00 0.00 N ATOM 0 H ASN A 11 23.932 -8.595 -16.032 1.00 0.00 H new ATOM 0 HA ASN A 11 25.009 -6.054 -16.882 1.00 0.00 H new ATOM 0 HB2 ASN A 11 24.482 -8.015 -18.407 1.00 0.00 H new ATOM 0 HB3 ASN A 11 22.778 -7.731 -18.113 1.00 0.00 H new ATOM 0 HD21 ASN A 11 23.281 -5.847 -21.201 1.00 0.00 H new ATOM 0 HD22 ASN A 11 23.027 -7.497 -20.623 1.00 0.00 H new ATOM 202 N SER A 12 23.497 -4.391 -16.038 1.00 0.00 N ATOM 203 CA SER A 12 22.679 -3.223 -15.682 1.00 0.00 C ATOM 204 C SER A 12 21.681 -2.810 -16.766 1.00 0.00 C ATOM 205 O SER A 12 20.611 -2.308 -16.432 1.00 0.00 O ATOM 206 CB SER A 12 23.589 -2.044 -15.309 1.00 0.00 C ATOM 207 OG SER A 12 24.947 -2.269 -15.676 1.00 0.00 O ATOM 0 H SER A 12 24.494 -4.176 -16.048 1.00 0.00 H new ATOM 0 HA SER A 12 22.076 -3.518 -14.823 1.00 0.00 H new ATOM 0 HB2 SER A 12 23.228 -1.140 -15.800 1.00 0.00 H new ATOM 0 HB3 SER A 12 23.530 -1.869 -14.235 1.00 0.00 H new ATOM 0 HG SER A 12 25.235 -1.575 -16.306 1.00 0.00 H new ATOM 213 N CYS A 13 21.941 -3.120 -18.042 1.00 0.00 N ATOM 214 CA CYS A 13 20.984 -2.895 -19.140 1.00 0.00 C ATOM 215 C CYS A 13 19.677 -3.706 -18.994 1.00 0.00 C ATOM 216 O CYS A 13 18.738 -3.470 -19.752 1.00 0.00 O ATOM 217 CB CYS A 13 21.674 -3.146 -20.489 1.00 0.00 C ATOM 218 SG CYS A 13 23.018 -1.948 -20.711 1.00 0.00 S ATOM 0 H CYS A 13 22.822 -3.535 -18.346 1.00 0.00 H new ATOM 0 HA CYS A 13 20.671 -1.852 -19.092 1.00 0.00 H new ATOM 0 HB2 CYS A 13 22.068 -4.162 -20.525 1.00 0.00 H new ATOM 0 HB3 CYS A 13 20.953 -3.055 -21.301 1.00 0.00 H new ATOM 0 HG CYS A 13 24.120 -2.437 -20.225 1.00 0.00 H new ATOM 224 N ARG A 14 19.583 -4.624 -18.014 1.00 0.00 N ATOM 225 CA ARG A 14 18.324 -5.291 -17.621 1.00 0.00 C ATOM 226 C ARG A 14 17.770 -4.726 -16.301 1.00 0.00 C ATOM 227 O ARG A 14 16.646 -4.242 -16.278 1.00 0.00 O ATOM 228 CB ARG A 14 18.481 -6.827 -17.621 1.00 0.00 C ATOM 229 CG ARG A 14 19.238 -7.402 -18.834 1.00 0.00 C ATOM 230 CD ARG A 14 18.881 -8.885 -19.027 1.00 0.00 C ATOM 231 NE ARG A 14 19.988 -9.672 -19.599 1.00 0.00 N ATOM 232 CZ ARG A 14 20.200 -10.973 -19.493 1.00 0.00 C ATOM 233 NH1 ARG A 14 19.454 -11.766 -18.779 1.00 0.00 N ATOM 234 NH2 ARG A 14 21.206 -11.506 -20.117 1.00 0.00 N ATOM 0 H ARG A 14 20.387 -4.928 -17.466 1.00 0.00 H new ATOM 0 HA ARG A 14 17.569 -5.067 -18.374 1.00 0.00 H new ATOM 0 HB2 ARG A 14 19.003 -7.124 -16.711 1.00 0.00 H new ATOM 0 HB3 ARG A 14 17.490 -7.279 -17.582 1.00 0.00 H new ATOM 0 HG2 ARG A 14 18.983 -6.839 -19.732 1.00 0.00 H new ATOM 0 HG3 ARG A 14 20.313 -7.295 -18.686 1.00 0.00 H new ATOM 0 HD2 ARG A 14 18.597 -9.313 -18.066 1.00 0.00 H new ATOM 0 HD3 ARG A 14 18.012 -8.962 -19.680 1.00 0.00 H new ATOM 0 HE ARG A 14 20.674 -9.149 -20.143 1.00 0.00 H new ATOM 0 HH11 ARG A 14 18.658 -11.391 -18.264 1.00 0.00 H new ATOM 0 HH12 ARG A 14 19.666 -12.763 -18.735 1.00 0.00 H new ATOM 0 HH21 ARG A 14 21.823 -10.922 -20.682 1.00 0.00 H new ATOM 0 HH22 ARG A 14 21.379 -12.508 -20.043 1.00 0.00 H new ATOM 248 N SER A 15 18.550 -4.726 -15.213 1.00 0.00 N ATOM 249 CA SER A 15 18.098 -4.319 -13.859 1.00 0.00 C ATOM 250 C SER A 15 17.845 -2.814 -13.725 1.00 0.00 C ATOM 251 O SER A 15 16.731 -2.409 -13.391 1.00 0.00 O ATOM 252 CB SER A 15 19.124 -4.765 -12.814 1.00 0.00 C ATOM 253 OG SER A 15 20.405 -4.379 -13.282 1.00 0.00 O ATOM 0 H SER A 15 19.529 -5.011 -15.239 1.00 0.00 H new ATOM 0 HA SER A 15 17.141 -4.812 -13.691 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.914 -4.304 -11.849 1.00 0.00 H new ATOM 0 HB3 SER A 15 19.078 -5.844 -12.668 1.00 0.00 H new ATOM 0 HG SER A 15 21.086 -4.650 -12.632 1.00 0.00 H new ATOM 259 N GLN A 16 18.846 -1.979 -14.032 1.00 0.00 N ATOM 260 CA GLN A 16 18.697 -0.509 -14.032 1.00 0.00 C ATOM 261 C GLN A 16 17.649 -0.084 -15.060 1.00 0.00 C ATOM 262 O GLN A 16 16.900 0.856 -14.820 1.00 0.00 O ATOM 263 CB GLN A 16 20.031 0.198 -14.345 1.00 0.00 C ATOM 264 CG GLN A 16 21.188 -0.092 -13.364 1.00 0.00 C ATOM 265 CD GLN A 16 21.338 0.876 -12.184 1.00 0.00 C ATOM 266 OE1 GLN A 16 20.843 1.996 -12.167 1.00 0.00 O ATOM 267 NE2 GLN A 16 22.096 0.481 -11.180 1.00 0.00 N ATOM 0 H GLN A 16 19.781 -2.297 -14.287 1.00 0.00 H new ATOM 0 HA GLN A 16 18.377 -0.214 -13.033 1.00 0.00 H new ATOM 0 HB2 GLN A 16 20.348 -0.091 -15.347 1.00 0.00 H new ATOM 0 HB3 GLN A 16 19.856 1.274 -14.364 1.00 0.00 H new ATOM 0 HG2 GLN A 16 21.055 -1.098 -12.966 1.00 0.00 H new ATOM 0 HG3 GLN A 16 22.122 -0.093 -13.927 1.00 0.00 H new ATOM 0 HE21 GLN A 16 22.510 -0.451 -11.190 1.00 0.00 H new ATOM 0 HE22 GLN A 16 22.268 1.107 -10.394 1.00 0.00 H new ATOM 276 N MET A 17 17.541 -0.803 -16.184 1.00 0.00 N ATOM 277 CA MET A 17 16.587 -0.459 -17.241 1.00 0.00 C ATOM 278 C MET A 17 15.129 -0.746 -16.862 1.00 0.00 C ATOM 279 O MET A 17 14.268 0.107 -17.070 1.00 0.00 O ATOM 280 CB MET A 17 16.989 -1.154 -18.551 1.00 0.00 C ATOM 281 CG MET A 17 16.508 -0.374 -19.775 1.00 0.00 C ATOM 282 SD MET A 17 17.360 1.219 -19.913 1.00 0.00 S ATOM 283 CE MET A 17 16.067 2.389 -19.402 1.00 0.00 C ATOM 0 H MET A 17 18.105 -1.629 -16.384 1.00 0.00 H new ATOM 0 HA MET A 17 16.634 0.621 -17.384 1.00 0.00 H new ATOM 0 HB2 MET A 17 18.073 -1.259 -18.589 1.00 0.00 H new ATOM 0 HB3 MET A 17 16.570 -2.160 -18.573 1.00 0.00 H new ATOM 0 HG2 MET A 17 16.683 -0.962 -20.676 1.00 0.00 H new ATOM 0 HG3 MET A 17 15.433 -0.209 -19.705 1.00 0.00 H new ATOM 0 HE1 MET A 17 16.525 3.243 -18.903 1.00 0.00 H new ATOM 0 HE2 MET A 17 15.520 2.732 -20.280 1.00 0.00 H new ATOM 0 HE3 MET A 17 15.379 1.894 -18.716 1.00 0.00 H new ATOM 293 N ALA A 18 14.852 -1.903 -16.253 1.00 0.00 N ATOM 294 CA ALA A 18 13.527 -2.245 -15.731 1.00 0.00 C ATOM 295 C ALA A 18 13.098 -1.292 -14.610 1.00 0.00 C ATOM 296 O ALA A 18 11.983 -0.778 -14.636 1.00 0.00 O ATOM 297 CB ALA A 18 13.556 -3.711 -15.305 1.00 0.00 C ATOM 0 H ALA A 18 15.548 -2.634 -16.108 1.00 0.00 H new ATOM 0 HA ALA A 18 12.767 -2.121 -16.503 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.580 -3.995 -14.911 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.795 -4.335 -16.166 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.313 -3.851 -14.534 1.00 0.00 H new ATOM 303 N GLU A 19 14.019 -0.953 -13.706 1.00 0.00 N ATOM 304 CA GLU A 19 13.783 0.111 -12.728 1.00 0.00 C ATOM 305 C GLU A 19 13.516 1.459 -13.405 1.00 0.00 C ATOM 306 O GLU A 19 12.545 2.110 -13.043 1.00 0.00 O ATOM 307 CB GLU A 19 14.966 0.171 -11.759 1.00 0.00 C ATOM 308 CG GLU A 19 14.887 1.318 -10.741 1.00 0.00 C ATOM 309 CD GLU A 19 16.080 2.253 -10.912 1.00 0.00 C ATOM 310 OE1 GLU A 19 17.149 1.948 -10.343 1.00 0.00 O ATOM 311 OE2 GLU A 19 15.959 3.265 -11.638 1.00 0.00 O ATOM 0 H GLU A 19 14.933 -1.399 -13.631 1.00 0.00 H new ATOM 0 HA GLU A 19 12.880 -0.118 -12.162 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.029 -0.775 -11.220 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.887 0.272 -12.333 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.958 1.872 -10.877 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.873 0.915 -9.728 1.00 0.00 H new ATOM 318 N GLY A 20 14.277 1.841 -14.433 1.00 0.00 N ATOM 319 CA GLY A 20 14.097 3.090 -15.179 1.00 0.00 C ATOM 320 C GLY A 20 12.685 3.253 -15.750 1.00 0.00 C ATOM 321 O GLY A 20 12.016 4.237 -15.441 1.00 0.00 O ATOM 0 H GLY A 20 15.054 1.278 -14.779 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.316 3.932 -14.523 1.00 0.00 H new ATOM 0 HA3 GLY A 20 14.818 3.125 -15.995 1.00 0.00 H new ATOM 325 N PHE A 21 12.177 2.267 -16.500 1.00 0.00 N ATOM 326 CA PHE A 21 10.776 2.283 -16.970 1.00 0.00 C ATOM 327 C PHE A 21 9.788 2.281 -15.796 1.00 0.00 C ATOM 328 O PHE A 21 8.771 2.972 -15.836 1.00 0.00 O ATOM 329 CB PHE A 21 10.521 1.129 -17.964 1.00 0.00 C ATOM 330 CG PHE A 21 11.005 1.465 -19.360 1.00 0.00 C ATOM 331 CD1 PHE A 21 10.182 2.219 -20.218 1.00 0.00 C ATOM 332 CD2 PHE A 21 12.295 1.094 -19.779 1.00 0.00 C ATOM 333 CE1 PHE A 21 10.659 2.634 -21.471 1.00 0.00 C ATOM 334 CE2 PHE A 21 12.772 1.505 -21.036 1.00 0.00 C ATOM 335 CZ PHE A 21 11.961 2.296 -21.870 1.00 0.00 C ATOM 0 H PHE A 21 12.709 1.449 -16.796 1.00 0.00 H new ATOM 0 HA PHE A 21 10.605 3.215 -17.509 1.00 0.00 H new ATOM 0 HB2 PHE A 21 11.026 0.229 -17.612 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.455 0.905 -17.994 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.180 2.479 -19.911 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.920 0.493 -19.135 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.025 3.212 -22.127 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.760 1.214 -21.361 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.341 2.644 -22.819 1.00 0.00 H new ATOM 345 N ALA A 22 10.099 1.573 -14.710 1.00 0.00 N ATOM 346 CA ALA A 22 9.240 1.513 -13.529 1.00 0.00 C ATOM 347 C ALA A 22 9.214 2.811 -12.704 1.00 0.00 C ATOM 348 O ALA A 22 8.182 3.093 -12.106 1.00 0.00 O ATOM 349 CB ALA A 22 9.662 0.289 -12.719 1.00 0.00 C ATOM 0 H ALA A 22 10.955 1.025 -14.625 1.00 0.00 H new ATOM 0 HA ALA A 22 8.202 1.411 -13.846 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.041 0.211 -11.827 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.540 -0.608 -13.325 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.707 0.389 -12.426 1.00 0.00 H new ATOM 355 N LYS A 23 10.259 3.650 -12.710 1.00 0.00 N ATOM 356 CA LYS A 23 10.212 4.991 -12.082 1.00 0.00 C ATOM 357 C LYS A 23 9.231 5.908 -12.803 1.00 0.00 C ATOM 358 O LYS A 23 8.406 6.568 -12.186 1.00 0.00 O ATOM 359 CB LYS A 23 11.595 5.675 -12.075 1.00 0.00 C ATOM 360 CG LYS A 23 12.695 4.824 -11.431 1.00 0.00 C ATOM 361 CD LYS A 23 13.657 5.662 -10.572 1.00 0.00 C ATOM 362 CE LYS A 23 14.508 6.617 -11.427 1.00 0.00 C ATOM 363 NZ LYS A 23 15.715 5.933 -11.955 1.00 0.00 N ATOM 0 H LYS A 23 11.155 3.428 -13.144 1.00 0.00 H new ATOM 0 HA LYS A 23 9.885 4.830 -11.055 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.881 5.909 -13.101 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.520 6.622 -11.541 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.238 4.052 -10.812 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.260 4.314 -12.211 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.085 6.238 -9.844 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.312 4.998 -10.009 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.911 6.998 -12.256 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.807 7.477 -10.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.963 6.333 -12.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.508 6.070 -11.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 15.521 4.916 -12.057 1.00 0.00 H new ATOM 377 N THR A 24 9.322 5.907 -14.130 1.00 0.00 N ATOM 378 CA THR A 24 8.566 6.791 -15.027 1.00 0.00 C ATOM 379 C THR A 24 7.093 6.375 -15.151 1.00 0.00 C ATOM 380 O THR A 24 6.216 7.237 -15.158 1.00 0.00 O ATOM 381 CB THR A 24 9.283 6.761 -16.382 1.00 0.00 C ATOM 382 OG1 THR A 24 10.608 7.233 -16.231 1.00 0.00 O ATOM 383 CG2 THR A 24 8.626 7.597 -17.475 1.00 0.00 C ATOM 0 H THR A 24 9.943 5.272 -14.632 1.00 0.00 H new ATOM 0 HA THR A 24 8.540 7.804 -14.625 1.00 0.00 H new ATOM 0 HB THR A 24 9.239 5.719 -16.698 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.900 7.659 -17.064 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.205 7.513 -18.395 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.612 7.236 -17.649 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.591 8.641 -17.163 1.00 0.00 H new ATOM 391 N LEU A 25 6.800 5.066 -15.188 1.00 0.00 N ATOM 392 CA LEU A 25 5.431 4.524 -15.354 1.00 0.00 C ATOM 393 C LEU A 25 4.763 4.158 -14.019 1.00 0.00 C ATOM 394 O LEU A 25 3.548 4.269 -13.874 1.00 0.00 O ATOM 395 CB LEU A 25 5.478 3.318 -16.312 1.00 0.00 C ATOM 396 CG LEU A 25 6.108 3.642 -17.677 1.00 0.00 C ATOM 397 CD1 LEU A 25 6.231 2.368 -18.508 1.00 0.00 C ATOM 398 CD2 LEU A 25 5.306 4.664 -18.485 1.00 0.00 C ATOM 0 H LEU A 25 7.512 4.340 -15.103 1.00 0.00 H new ATOM 0 HA LEU A 25 4.808 5.309 -15.784 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.043 2.513 -15.842 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.465 2.948 -16.467 1.00 0.00 H new ATOM 0 HG LEU A 25 7.086 4.075 -17.465 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.678 2.605 -19.473 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.861 1.650 -17.983 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.242 1.937 -18.662 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.805 4.848 -19.437 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.304 4.277 -18.669 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.237 5.597 -17.925 1.00 0.00 H new ATOM 410 N GLY A 26 5.567 3.772 -13.025 1.00 0.00 N ATOM 411 CA GLY A 26 5.171 3.585 -11.626 1.00 0.00 C ATOM 412 C GLY A 26 5.191 4.869 -10.803 1.00 0.00 C ATOM 413 O GLY A 26 4.972 4.796 -9.593 1.00 0.00 O ATOM 0 H GLY A 26 6.555 3.572 -13.180 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.167 3.161 -11.596 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.838 2.858 -11.163 1.00 0.00 H new ATOM 417 N ALA A 27 5.428 6.028 -11.433 1.00 0.00 N ATOM 418 CA ALA A 27 5.332 7.335 -10.773 1.00 0.00 C ATOM 419 C ALA A 27 3.995 7.485 -10.009 1.00 0.00 C ATOM 420 O ALA A 27 2.915 7.404 -10.601 1.00 0.00 O ATOM 421 CB ALA A 27 5.500 8.438 -11.826 1.00 0.00 C ATOM 0 H ALA A 27 5.692 6.084 -12.417 1.00 0.00 H new ATOM 0 HA ALA A 27 6.127 7.421 -10.032 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.430 9.414 -11.345 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.474 8.338 -12.305 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.715 8.347 -12.577 1.00 0.00 H new ATOM 427 N GLY A 28 4.071 7.672 -8.686 1.00 0.00 N ATOM 428 CA GLY A 28 2.902 7.775 -7.804 1.00 0.00 C ATOM 429 C GLY A 28 2.166 6.454 -7.519 1.00 0.00 C ATOM 430 O GLY A 28 1.034 6.499 -7.032 1.00 0.00 O ATOM 0 H GLY A 28 4.959 7.757 -8.191 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.222 8.204 -6.854 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.195 8.476 -8.248 1.00 0.00 H new ATOM 434 N LYS A 29 2.771 5.287 -7.811 1.00 0.00 N ATOM 435 CA LYS A 29 2.173 3.955 -7.600 1.00 0.00 C ATOM 436 C LYS A 29 3.052 3.070 -6.735 1.00 0.00 C ATOM 437 O LYS A 29 2.546 2.361 -5.869 1.00 0.00 O ATOM 438 CB LYS A 29 1.942 3.267 -8.959 1.00 0.00 C ATOM 439 CG LYS A 29 0.785 3.889 -9.752 1.00 0.00 C ATOM 440 CD LYS A 29 0.574 3.108 -11.059 1.00 0.00 C ATOM 441 CE LYS A 29 -0.699 3.504 -11.817 1.00 0.00 C ATOM 442 NZ LYS A 29 -1.940 3.066 -11.110 1.00 0.00 N ATOM 0 H LYS A 29 3.709 5.243 -8.209 1.00 0.00 H new ATOM 0 HA LYS A 29 1.225 4.099 -7.083 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.855 3.326 -9.551 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.737 2.209 -8.795 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.127 3.873 -9.156 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.003 4.934 -9.973 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.436 3.264 -11.708 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.534 2.043 -10.833 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.720 4.586 -11.947 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.677 3.064 -12.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.698 2.910 -11.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.753 2.181 -10.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.233 3.802 -10.436 1.00 0.00 H new ATOM 456 N ILE A 30 4.358 3.091 -7.004 1.00 0.00 N ATOM 457 CA ILE A 30 5.364 2.284 -6.311 1.00 0.00 C ATOM 458 C ILE A 30 6.716 2.997 -6.166 1.00 0.00 C ATOM 459 O ILE A 30 7.045 3.908 -6.923 1.00 0.00 O ATOM 460 CB ILE A 30 5.534 0.894 -6.976 1.00 0.00 C ATOM 461 CG1 ILE A 30 5.569 0.807 -8.519 1.00 0.00 C ATOM 462 CG2 ILE A 30 4.439 -0.068 -6.483 1.00 0.00 C ATOM 463 CD1 ILE A 30 6.896 1.248 -9.140 1.00 0.00 C ATOM 0 H ILE A 30 4.757 3.686 -7.730 1.00 0.00 H new ATOM 0 HA ILE A 30 4.985 2.135 -5.300 1.00 0.00 H new ATOM 0 HB ILE A 30 6.542 0.622 -6.662 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.364 -0.221 -8.819 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.767 1.424 -8.925 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.569 -1.041 -6.957 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.512 -0.179 -5.401 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.459 0.333 -6.741 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.838 1.157 -10.225 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.096 2.286 -8.873 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.701 0.616 -8.765 1.00 0.00 H new ATOM 475 N ALA A 31 7.499 2.544 -5.184 1.00 0.00 N ATOM 476 CA ALA A 31 8.906 2.916 -5.006 1.00 0.00 C ATOM 477 C ALA A 31 9.791 1.927 -5.785 1.00 0.00 C ATOM 478 O ALA A 31 9.379 0.791 -6.022 1.00 0.00 O ATOM 479 CB ALA A 31 9.234 2.981 -3.506 1.00 0.00 C ATOM 0 H ALA A 31 7.165 1.893 -4.473 1.00 0.00 H new ATOM 0 HA ALA A 31 9.105 3.908 -5.411 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.280 3.258 -3.374 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.598 3.726 -3.027 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.056 2.006 -3.052 1.00 0.00 H new ATOM 485 N VAL A 32 10.991 2.329 -6.205 1.00 0.00 N ATOM 486 CA VAL A 32 11.823 1.535 -7.136 1.00 0.00 C ATOM 487 C VAL A 32 13.319 1.613 -6.820 1.00 0.00 C ATOM 488 O VAL A 32 13.844 2.691 -6.543 1.00 0.00 O ATOM 489 CB VAL A 32 11.626 1.951 -8.613 1.00 0.00 C ATOM 490 CG1 VAL A 32 11.675 0.712 -9.510 1.00 0.00 C ATOM 491 CG2 VAL A 32 10.308 2.668 -8.923 1.00 0.00 C ATOM 0 H VAL A 32 11.420 3.208 -5.916 1.00 0.00 H new ATOM 0 HA VAL A 32 11.479 0.511 -6.994 1.00 0.00 H new ATOM 0 HB VAL A 32 12.435 2.656 -8.805 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.536 1.010 -10.549 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.642 0.221 -9.400 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.882 0.022 -9.221 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.269 2.916 -9.984 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.471 2.016 -8.672 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.244 3.583 -8.334 1.00 0.00 H new ATOM 501 N THR A 33 14.014 0.482 -6.953 1.00 0.00 N ATOM 502 CA THR A 33 15.483 0.368 -6.868 1.00 0.00 C ATOM 503 C THR A 33 15.972 -0.704 -7.850 1.00 0.00 C ATOM 504 O THR A 33 15.223 -1.626 -8.182 1.00 0.00 O ATOM 505 CB THR A 33 15.914 0.003 -5.434 1.00 0.00 C ATOM 506 OG1 THR A 33 15.310 0.858 -4.485 1.00 0.00 O ATOM 507 CG2 THR A 33 17.420 0.085 -5.182 1.00 0.00 C ATOM 0 H THR A 33 13.560 -0.414 -7.129 1.00 0.00 H new ATOM 0 HA THR A 33 15.927 1.329 -7.128 1.00 0.00 H new ATOM 0 HB THR A 33 15.593 -1.033 -5.325 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.599 0.603 -3.584 1.00 0.00 H new ATOM 0 HG21 THR A 33 17.631 -0.188 -4.148 1.00 0.00 H new ATOM 0 HG22 THR A 33 17.939 -0.601 -5.852 1.00 0.00 H new ATOM 0 HG23 THR A 33 17.765 1.103 -5.366 1.00 0.00 H new ATOM 515 N SER A 34 17.218 -0.616 -8.319 1.00 0.00 N ATOM 516 CA SER A 34 17.877 -1.680 -9.086 1.00 0.00 C ATOM 517 C SER A 34 19.171 -2.171 -8.429 1.00 0.00 C ATOM 518 O SER A 34 19.834 -1.436 -7.694 1.00 0.00 O ATOM 519 CB SER A 34 18.129 -1.256 -10.531 1.00 0.00 C ATOM 520 OG SER A 34 18.842 -0.043 -10.603 1.00 0.00 O ATOM 0 H SER A 34 17.806 0.205 -8.176 1.00 0.00 H new ATOM 0 HA SER A 34 17.185 -2.522 -9.092 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.687 -2.037 -11.047 1.00 0.00 H new ATOM 0 HB3 SER A 34 17.176 -1.149 -11.050 1.00 0.00 H new ATOM 0 HG SER A 34 18.214 0.698 -10.733 1.00 0.00 H new ATOM 526 N CYS A 35 19.514 -3.436 -8.685 1.00 0.00 N ATOM 527 CA CYS A 35 20.649 -4.122 -8.072 1.00 0.00 C ATOM 528 C CYS A 35 21.199 -5.220 -9.009 1.00 0.00 C ATOM 529 O CYS A 35 20.457 -5.793 -9.804 1.00 0.00 O ATOM 530 CB CYS A 35 20.142 -4.671 -6.722 1.00 0.00 C ATOM 531 SG CYS A 35 21.273 -5.891 -5.998 1.00 0.00 S ATOM 0 H CYS A 35 18.997 -4.023 -9.340 1.00 0.00 H new ATOM 0 HA CYS A 35 21.491 -3.451 -7.902 1.00 0.00 H new ATOM 0 HB2 CYS A 35 20.010 -3.844 -6.024 1.00 0.00 H new ATOM 0 HB3 CYS A 35 19.163 -5.128 -6.864 1.00 0.00 H new ATOM 0 HG CYS A 35 22.454 -5.364 -5.868 1.00 0.00 H new ATOM 537 N GLY A 36 22.497 -5.521 -8.928 1.00 0.00 N ATOM 538 CA GLY A 36 23.109 -6.686 -9.583 1.00 0.00 C ATOM 539 C GLY A 36 23.504 -7.729 -8.534 1.00 0.00 C ATOM 540 O GLY A 36 24.014 -7.356 -7.479 1.00 0.00 O ATOM 0 H GLY A 36 23.163 -4.957 -8.400 1.00 0.00 H new ATOM 0 HA2 GLY A 36 22.409 -7.122 -10.296 1.00 0.00 H new ATOM 0 HA3 GLY A 36 23.988 -6.376 -10.148 1.00 0.00 H new ATOM 544 N LEU A 37 23.325 -9.030 -8.797 1.00 0.00 N ATOM 545 CA LEU A 37 23.695 -10.071 -7.820 1.00 0.00 C ATOM 546 C LEU A 37 25.198 -10.008 -7.489 1.00 0.00 C ATOM 547 O LEU A 37 25.569 -10.031 -6.316 1.00 0.00 O ATOM 548 CB LEU A 37 23.287 -11.478 -8.304 1.00 0.00 C ATOM 549 CG LEU A 37 21.816 -11.854 -8.035 1.00 0.00 C ATOM 550 CD1 LEU A 37 20.808 -11.180 -8.964 1.00 0.00 C ATOM 551 CD2 LEU A 37 21.636 -13.364 -8.186 1.00 0.00 C ATOM 0 H LEU A 37 22.931 -9.388 -9.667 1.00 0.00 H new ATOM 0 HA LEU A 37 23.140 -9.872 -6.903 1.00 0.00 H new ATOM 0 HB2 LEU A 37 23.475 -11.547 -9.376 1.00 0.00 H new ATOM 0 HB3 LEU A 37 23.930 -12.214 -7.820 1.00 0.00 H new ATOM 0 HG LEU A 37 21.613 -11.506 -7.022 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.800 -11.502 -8.702 1.00 0.00 H new ATOM 0 HD12 LEU A 37 20.882 -10.098 -8.857 1.00 0.00 H new ATOM 0 HD13 LEU A 37 21.022 -11.458 -9.996 1.00 0.00 H new ATOM 0 HD21 LEU A 37 20.596 -13.627 -7.995 1.00 0.00 H new ATOM 0 HD22 LEU A 37 21.906 -13.663 -9.199 1.00 0.00 H new ATOM 0 HD23 LEU A 37 22.278 -13.880 -7.472 1.00 0.00 H new ATOM 563 N GLU A 38 26.035 -9.806 -8.509 1.00 0.00 N ATOM 564 CA GLU A 38 27.472 -9.508 -8.384 1.00 0.00 C ATOM 565 C GLU A 38 27.768 -8.018 -8.661 1.00 0.00 C ATOM 566 O GLU A 38 28.811 -7.675 -9.221 1.00 0.00 O ATOM 567 CB GLU A 38 28.277 -10.456 -9.296 1.00 0.00 C ATOM 568 CG GLU A 38 28.053 -11.951 -9.028 1.00 0.00 C ATOM 569 CD GLU A 38 28.383 -12.366 -7.576 1.00 0.00 C ATOM 570 OE1 GLU A 38 29.454 -11.976 -7.048 1.00 0.00 O ATOM 571 OE2 GLU A 38 27.591 -13.124 -6.967 1.00 0.00 O ATOM 0 H GLU A 38 25.725 -9.846 -9.480 1.00 0.00 H new ATOM 0 HA GLU A 38 27.787 -9.686 -7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 38 28.019 -10.245 -10.334 1.00 0.00 H new ATOM 0 HB3 GLU A 38 29.338 -10.235 -9.180 1.00 0.00 H new ATOM 0 HG2 GLU A 38 27.014 -12.200 -9.243 1.00 0.00 H new ATOM 0 HG3 GLU A 38 28.669 -12.533 -9.714 1.00 0.00 H new ATOM 578 N SER A 39 26.842 -7.119 -8.295 1.00 0.00 N ATOM 579 CA SER A 39 26.819 -5.687 -8.658 1.00 0.00 C ATOM 580 C SER A 39 26.650 -5.427 -10.170 1.00 0.00 C ATOM 581 O SER A 39 26.667 -6.349 -10.986 1.00 0.00 O ATOM 582 CB SER A 39 28.028 -4.948 -8.077 1.00 0.00 C ATOM 583 OG SER A 39 27.725 -3.567 -7.988 1.00 0.00 O ATOM 0 H SER A 39 26.049 -7.380 -7.709 1.00 0.00 H new ATOM 0 HA SER A 39 25.920 -5.276 -8.200 1.00 0.00 H new ATOM 0 HB2 SER A 39 28.273 -5.344 -7.092 1.00 0.00 H new ATOM 0 HB3 SER A 39 28.903 -5.102 -8.709 1.00 0.00 H new ATOM 0 HG SER A 39 28.494 -3.087 -7.615 1.00 0.00 H new ATOM 589 N SER A 40 26.435 -4.164 -10.540 1.00 0.00 N ATOM 590 CA SER A 40 26.256 -3.681 -11.925 1.00 0.00 C ATOM 591 C SER A 40 26.686 -2.202 -12.071 1.00 0.00 C ATOM 592 O SER A 40 27.290 -1.637 -11.155 1.00 0.00 O ATOM 593 CB SER A 40 24.805 -3.930 -12.369 1.00 0.00 C ATOM 594 OG SER A 40 23.896 -3.107 -11.656 1.00 0.00 O ATOM 0 H SER A 40 26.377 -3.409 -9.857 1.00 0.00 H new ATOM 0 HA SER A 40 26.911 -4.243 -12.591 1.00 0.00 H new ATOM 0 HB2 SER A 40 24.712 -3.736 -13.438 1.00 0.00 H new ATOM 0 HB3 SER A 40 24.550 -4.978 -12.211 1.00 0.00 H new ATOM 0 HG SER A 40 22.983 -3.287 -11.962 1.00 0.00 H new ATOM 600 N ARG A 41 26.444 -1.571 -13.233 1.00 0.00 N ATOM 601 CA ARG A 41 26.889 -0.196 -13.570 1.00 0.00 C ATOM 602 C ARG A 41 25.783 0.605 -14.286 1.00 0.00 C ATOM 603 O ARG A 41 24.606 0.418 -14.003 1.00 0.00 O ATOM 604 CB ARG A 41 28.224 -0.308 -14.348 1.00 0.00 C ATOM 605 CG ARG A 41 28.136 -1.099 -15.671 1.00 0.00 C ATOM 606 CD ARG A 41 29.405 -0.946 -16.522 1.00 0.00 C ATOM 607 NE ARG A 41 30.606 -1.464 -15.831 1.00 0.00 N ATOM 608 CZ ARG A 41 31.108 -2.688 -15.878 1.00 0.00 C ATOM 609 NH1 ARG A 41 30.546 -3.647 -16.557 1.00 0.00 N ATOM 610 NH2 ARG A 41 32.197 -2.974 -15.225 1.00 0.00 N ATOM 0 H ARG A 41 25.919 -2.011 -13.989 1.00 0.00 H new ATOM 0 HA ARG A 41 27.078 0.388 -12.669 1.00 0.00 H new ATOM 0 HB2 ARG A 41 28.588 0.696 -14.565 1.00 0.00 H new ATOM 0 HB3 ARG A 41 28.965 -0.783 -13.705 1.00 0.00 H new ATOM 0 HG2 ARG A 41 27.972 -2.154 -15.452 1.00 0.00 H new ATOM 0 HG3 ARG A 41 27.274 -0.755 -16.242 1.00 0.00 H new ATOM 0 HD2 ARG A 41 29.274 -1.476 -17.466 1.00 0.00 H new ATOM 0 HD3 ARG A 41 29.553 0.106 -16.765 1.00 0.00 H new ATOM 0 HE ARG A 41 31.109 -0.796 -15.247 1.00 0.00 H new ATOM 0 HH11 ARG A 41 29.688 -3.468 -17.078 1.00 0.00 H new ATOM 0 HH12 ARG A 41 30.964 -4.577 -16.568 1.00 0.00 H new ATOM 0 HH21 ARG A 41 32.666 -2.254 -14.675 1.00 0.00 H new ATOM 0 HH22 ARG A 41 32.581 -3.918 -15.263 1.00 0.00 H new ATOM 624 N VAL A 42 26.152 1.515 -15.188 1.00 0.00 N ATOM 625 CA VAL A 42 25.265 2.220 -16.142 1.00 0.00 C ATOM 626 C VAL A 42 25.997 2.272 -17.495 1.00 0.00 C ATOM 627 O VAL A 42 27.230 2.273 -17.534 1.00 0.00 O ATOM 628 CB VAL A 42 24.856 3.641 -15.676 1.00 0.00 C ATOM 629 CG1 VAL A 42 23.719 4.233 -16.525 1.00 0.00 C ATOM 630 CG2 VAL A 42 24.371 3.674 -14.220 1.00 0.00 C ATOM 0 H VAL A 42 27.126 1.802 -15.286 1.00 0.00 H new ATOM 0 HA VAL A 42 24.327 1.671 -16.218 1.00 0.00 H new ATOM 0 HB VAL A 42 25.768 4.228 -15.786 1.00 0.00 H new ATOM 0 HG11 VAL A 42 23.471 5.229 -16.157 1.00 0.00 H new ATOM 0 HG12 VAL A 42 24.038 4.300 -17.565 1.00 0.00 H new ATOM 0 HG13 VAL A 42 22.841 3.591 -16.455 1.00 0.00 H new ATOM 0 HG21 VAL A 42 24.099 4.694 -13.950 1.00 0.00 H new ATOM 0 HG22 VAL A 42 23.502 3.026 -14.111 1.00 0.00 H new ATOM 0 HG23 VAL A 42 25.168 3.325 -13.563 1.00 0.00 H new ATOM 640 N HIS A 43 25.254 2.299 -18.604 1.00 0.00 N ATOM 641 CA HIS A 43 25.793 2.214 -19.974 1.00 0.00 C ATOM 642 C HIS A 43 25.354 3.422 -20.821 1.00 0.00 C ATOM 643 O HIS A 43 24.147 3.642 -20.918 1.00 0.00 O ATOM 644 CB HIS A 43 25.333 0.890 -20.607 1.00 0.00 C ATOM 645 CG HIS A 43 25.892 0.675 -21.990 1.00 0.00 C ATOM 646 ND1 HIS A 43 27.253 0.604 -22.293 1.00 0.00 N ATOM 647 CD2 HIS A 43 25.171 0.625 -23.150 1.00 0.00 C ATOM 648 CE1 HIS A 43 27.326 0.507 -23.630 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.095 0.518 -24.169 1.00 0.00 N ATOM 0 H HIS A 43 24.238 2.382 -18.580 1.00 0.00 H new ATOM 0 HA HIS A 43 26.882 2.235 -19.936 1.00 0.00 H new ATOM 0 HB2 HIS A 43 25.636 0.062 -19.966 1.00 0.00 H new ATOM 0 HB3 HIS A 43 24.244 0.875 -20.654 1.00 0.00 H new ATOM 0 HD1 HIS A 43 28.032 0.622 -21.634 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.096 0.662 -23.249 1.00 0.00 H new ATOM 0 HE1 HIS A 43 28.244 0.431 -24.193 1.00 0.00 H new ATOM 657 N PRO A 44 26.258 4.182 -21.477 1.00 0.00 N ATOM 658 CA PRO A 44 25.905 5.410 -22.204 1.00 0.00 C ATOM 659 C PRO A 44 24.801 5.243 -23.256 1.00 0.00 C ATOM 660 O PRO A 44 23.887 6.065 -23.327 1.00 0.00 O ATOM 661 CB PRO A 44 27.215 5.905 -22.829 1.00 0.00 C ATOM 662 CG PRO A 44 28.263 5.424 -21.829 1.00 0.00 C ATOM 663 CD PRO A 44 27.712 4.067 -21.400 1.00 0.00 C ATOM 0 HA PRO A 44 25.471 6.130 -21.510 1.00 0.00 H new ATOM 0 HB2 PRO A 44 27.376 5.482 -23.820 1.00 0.00 H new ATOM 0 HB3 PRO A 44 27.227 6.989 -22.939 1.00 0.00 H new ATOM 0 HG2 PRO A 44 29.249 5.336 -22.285 1.00 0.00 H new ATOM 0 HG3 PRO A 44 28.362 6.107 -20.985 1.00 0.00 H new ATOM 0 HD2 PRO A 44 28.076 3.274 -22.053 1.00 0.00 H new ATOM 0 HD3 PRO A 44 28.031 3.818 -20.388 1.00 0.00 H new ATOM 671 N THR A 45 24.789 4.133 -24.003 1.00 0.00 N ATOM 672 CA THR A 45 23.732 3.861 -24.999 1.00 0.00 C ATOM 673 C THR A 45 22.367 3.651 -24.339 1.00 0.00 C ATOM 674 O THR A 45 21.358 4.095 -24.876 1.00 0.00 O ATOM 675 CB THR A 45 24.090 2.658 -25.891 1.00 0.00 C ATOM 676 OG1 THR A 45 25.460 2.669 -26.238 1.00 0.00 O ATOM 677 CG2 THR A 45 23.283 2.599 -27.184 1.00 0.00 C ATOM 0 H THR A 45 25.499 3.403 -23.940 1.00 0.00 H new ATOM 0 HA THR A 45 23.664 4.745 -25.632 1.00 0.00 H new ATOM 0 HB THR A 45 23.847 1.781 -25.291 1.00 0.00 H new ATOM 0 HG1 THR A 45 25.946 2.033 -25.673 1.00 0.00 H new ATOM 0 HG21 THR A 45 23.587 1.727 -27.763 1.00 0.00 H new ATOM 0 HG22 THR A 45 22.222 2.525 -26.947 1.00 0.00 H new ATOM 0 HG23 THR A 45 23.463 3.502 -27.767 1.00 0.00 H new ATOM 685 N ALA A 46 22.314 3.085 -23.126 1.00 0.00 N ATOM 686 CA ALA A 46 21.072 2.952 -22.353 1.00 0.00 C ATOM 687 C ALA A 46 20.617 4.270 -21.701 1.00 0.00 C ATOM 688 O ALA A 46 19.495 4.353 -21.214 1.00 0.00 O ATOM 689 CB ALA A 46 21.227 1.810 -21.336 1.00 0.00 C ATOM 0 H ALA A 46 23.133 2.705 -22.652 1.00 0.00 H new ATOM 0 HA ALA A 46 20.268 2.700 -23.044 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.307 1.708 -20.760 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.430 0.878 -21.864 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.054 2.033 -20.662 1.00 0.00 H new ATOM 695 N ILE A 47 21.454 5.312 -21.700 1.00 0.00 N ATOM 696 CA ILE A 47 21.021 6.664 -21.329 1.00 0.00 C ATOM 697 C ILE A 47 20.335 7.268 -22.564 1.00 0.00 C ATOM 698 O ILE A 47 19.162 7.632 -22.516 1.00 0.00 O ATOM 699 CB ILE A 47 22.189 7.535 -20.805 1.00 0.00 C ATOM 700 CG1 ILE A 47 22.959 6.828 -19.664 1.00 0.00 C ATOM 701 CG2 ILE A 47 21.632 8.891 -20.334 1.00 0.00 C ATOM 702 CD1 ILE A 47 24.223 7.564 -19.202 1.00 0.00 C ATOM 0 H ILE A 47 22.440 5.245 -21.953 1.00 0.00 H new ATOM 0 HA ILE A 47 20.321 6.624 -20.495 1.00 0.00 H new ATOM 0 HB ILE A 47 22.900 7.695 -21.615 1.00 0.00 H new ATOM 0 HG12 ILE A 47 22.291 6.708 -18.811 1.00 0.00 H new ATOM 0 HG13 ILE A 47 23.236 5.827 -19.995 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.448 9.511 -19.963 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.145 9.394 -21.169 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.908 8.729 -19.536 1.00 0.00 H new ATOM 0 HD11 ILE A 47 24.700 7.000 -18.401 1.00 0.00 H new ATOM 0 HD12 ILE A 47 24.914 7.661 -20.039 1.00 0.00 H new ATOM 0 HD13 ILE A 47 23.954 8.555 -18.837 1.00 0.00 H new ATOM 714 N ALA A 48 21.016 7.272 -23.715 1.00 0.00 N ATOM 715 CA ALA A 48 20.554 7.994 -24.903 1.00 0.00 C ATOM 716 C ALA A 48 19.382 7.319 -25.638 1.00 0.00 C ATOM 717 O ALA A 48 18.500 8.011 -26.142 1.00 0.00 O ATOM 718 CB ALA A 48 21.753 8.215 -25.835 1.00 0.00 C ATOM 0 H ALA A 48 21.898 6.777 -23.848 1.00 0.00 H new ATOM 0 HA ALA A 48 20.147 8.949 -24.571 1.00 0.00 H new ATOM 0 HB1 ALA A 48 21.427 8.752 -26.726 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.514 8.799 -25.317 1.00 0.00 H new ATOM 0 HB3 ALA A 48 22.171 7.251 -26.125 1.00 0.00 H new ATOM 724 N MET A 49 19.314 5.982 -25.648 1.00 0.00 N ATOM 725 CA MET A 49 18.188 5.225 -26.232 1.00 0.00 C ATOM 726 C MET A 49 16.899 5.306 -25.403 1.00 0.00 C ATOM 727 O MET A 49 15.863 4.808 -25.835 1.00 0.00 O ATOM 728 CB MET A 49 18.585 3.756 -26.447 1.00 0.00 C ATOM 729 CG MET A 49 19.684 3.554 -27.495 1.00 0.00 C ATOM 730 SD MET A 49 19.191 3.925 -29.206 1.00 0.00 S ATOM 731 CE MET A 49 19.908 5.582 -29.406 1.00 0.00 C ATOM 0 H MET A 49 20.041 5.387 -25.250 1.00 0.00 H new ATOM 0 HA MET A 49 17.970 5.696 -27.191 1.00 0.00 H new ATOM 0 HB2 MET A 49 18.921 3.339 -25.498 1.00 0.00 H new ATOM 0 HB3 MET A 49 17.702 3.192 -26.748 1.00 0.00 H new ATOM 0 HG2 MET A 49 20.535 4.183 -27.233 1.00 0.00 H new ATOM 0 HG3 MET A 49 20.025 2.520 -27.447 1.00 0.00 H new ATOM 0 HE1 MET A 49 19.428 6.087 -30.244 1.00 0.00 H new ATOM 0 HE2 MET A 49 19.749 6.159 -28.495 1.00 0.00 H new ATOM 0 HE3 MET A 49 20.977 5.495 -29.599 1.00 0.00 H new ATOM 741 N MET A 50 16.952 5.910 -24.212 1.00 0.00 N ATOM 742 CA MET A 50 15.868 5.868 -23.223 1.00 0.00 C ATOM 743 C MET A 50 15.467 7.264 -22.731 1.00 0.00 C ATOM 744 O MET A 50 14.291 7.497 -22.463 1.00 0.00 O ATOM 745 CB MET A 50 16.289 4.956 -22.061 1.00 0.00 C ATOM 746 CG MET A 50 16.948 3.647 -22.510 1.00 0.00 C ATOM 747 SD MET A 50 15.911 2.485 -23.424 1.00 0.00 S ATOM 748 CE MET A 50 17.159 1.189 -23.678 1.00 0.00 C ATOM 0 H MET A 50 17.760 6.450 -23.902 1.00 0.00 H new ATOM 0 HA MET A 50 14.978 5.459 -23.701 1.00 0.00 H new ATOM 0 HB2 MET A 50 16.982 5.499 -21.418 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.411 4.722 -21.458 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.809 3.896 -23.131 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.330 3.138 -21.625 1.00 0.00 H new ATOM 0 HE1 MET A 50 16.920 0.626 -24.580 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.142 1.647 -23.786 1.00 0.00 H new ATOM 0 HE3 MET A 50 17.164 0.516 -22.821 1.00 0.00 H new ATOM 758 N GLU A 51 16.384 8.238 -22.703 1.00 0.00 N ATOM 759 CA GLU A 51 16.033 9.642 -22.445 1.00 0.00 C ATOM 760 C GLU A 51 15.082 10.205 -23.525 1.00 0.00 C ATOM 761 O GLU A 51 14.266 11.079 -23.240 1.00 0.00 O ATOM 762 CB GLU A 51 17.288 10.517 -22.267 1.00 0.00 C ATOM 763 CG GLU A 51 18.034 10.844 -23.567 1.00 0.00 C ATOM 764 CD GLU A 51 19.256 11.742 -23.295 1.00 0.00 C ATOM 765 OE1 GLU A 51 19.076 12.969 -23.094 1.00 0.00 O ATOM 766 OE2 GLU A 51 20.409 11.244 -23.297 1.00 0.00 O ATOM 0 H GLU A 51 17.380 8.080 -22.857 1.00 0.00 H new ATOM 0 HA GLU A 51 15.488 9.670 -21.501 1.00 0.00 H new ATOM 0 HB2 GLU A 51 16.997 11.451 -21.787 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.974 10.010 -21.589 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.357 9.920 -24.046 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.359 11.344 -24.261 1.00 0.00 H new ATOM 773 N GLU A 52 15.112 9.636 -24.743 1.00 0.00 N ATOM 774 CA GLU A 52 14.188 9.978 -25.839 1.00 0.00 C ATOM 775 C GLU A 52 12.727 9.531 -25.591 1.00 0.00 C ATOM 776 O GLU A 52 11.816 10.012 -26.267 1.00 0.00 O ATOM 777 CB GLU A 52 14.745 9.485 -27.190 1.00 0.00 C ATOM 778 CG GLU A 52 14.950 7.967 -27.276 1.00 0.00 C ATOM 779 CD GLU A 52 15.396 7.514 -28.680 1.00 0.00 C ATOM 780 OE1 GLU A 52 16.359 8.069 -29.260 1.00 0.00 O ATOM 781 OE2 GLU A 52 14.804 6.548 -29.217 1.00 0.00 O ATOM 0 H GLU A 52 15.788 8.916 -24.997 1.00 0.00 H new ATOM 0 HA GLU A 52 14.131 11.066 -25.875 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.064 9.793 -27.984 1.00 0.00 H new ATOM 0 HB3 GLU A 52 15.698 9.979 -27.378 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.698 7.662 -26.544 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.021 7.462 -27.012 1.00 0.00 H new ATOM 788 N VAL A 53 12.495 8.651 -24.600 1.00 0.00 N ATOM 789 CA VAL A 53 11.158 8.287 -24.070 1.00 0.00 C ATOM 790 C VAL A 53 11.005 8.692 -22.588 1.00 0.00 C ATOM 791 O VAL A 53 10.121 8.208 -21.881 1.00 0.00 O ATOM 792 CB VAL A 53 10.752 6.825 -24.377 1.00 0.00 C ATOM 793 CG1 VAL A 53 10.832 6.531 -25.879 1.00 0.00 C ATOM 794 CG2 VAL A 53 11.578 5.773 -23.632 1.00 0.00 C ATOM 0 H VAL A 53 13.252 8.156 -24.128 1.00 0.00 H new ATOM 0 HA VAL A 53 10.426 8.879 -24.618 1.00 0.00 H new ATOM 0 HB VAL A 53 9.724 6.746 -24.022 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.541 5.497 -26.063 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.159 7.199 -26.417 1.00 0.00 H new ATOM 0 HG13 VAL A 53 11.853 6.688 -26.227 1.00 0.00 H new ATOM 0 HG21 VAL A 53 11.229 4.777 -23.904 1.00 0.00 H new ATOM 0 HG22 VAL A 53 12.629 5.876 -23.904 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.465 5.916 -22.557 1.00 0.00 H new ATOM 804 N GLY A 54 11.858 9.615 -22.121 1.00 0.00 N ATOM 805 CA GLY A 54 11.775 10.278 -20.813 1.00 0.00 C ATOM 806 C GLY A 54 12.402 9.535 -19.625 1.00 0.00 C ATOM 807 O GLY A 54 12.167 9.939 -18.484 1.00 0.00 O ATOM 0 H GLY A 54 12.658 9.933 -22.668 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.253 11.254 -20.895 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.724 10.456 -20.587 1.00 0.00 H new ATOM 811 N ILE A 55 13.185 8.472 -19.852 1.00 0.00 N ATOM 812 CA ILE A 55 13.794 7.677 -18.767 1.00 0.00 C ATOM 813 C ILE A 55 15.057 8.346 -18.196 1.00 0.00 C ATOM 814 O ILE A 55 15.808 9.009 -18.913 1.00 0.00 O ATOM 815 CB ILE A 55 14.071 6.220 -19.206 1.00 0.00 C ATOM 816 CG1 ILE A 55 12.897 5.563 -19.961 1.00 0.00 C ATOM 817 CG2 ILE A 55 14.446 5.337 -18.000 1.00 0.00 C ATOM 818 CD1 ILE A 55 11.558 5.557 -19.209 1.00 0.00 C ATOM 0 H ILE A 55 13.416 8.137 -20.787 1.00 0.00 H new ATOM 0 HA ILE A 55 13.062 7.638 -17.960 1.00 0.00 H new ATOM 0 HB ILE A 55 14.909 6.288 -19.900 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.760 6.082 -20.910 1.00 0.00 H new ATOM 0 HG13 ILE A 55 13.168 4.534 -20.197 1.00 0.00 H new ATOM 0 HG21 ILE A 55 14.635 4.319 -18.339 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.343 5.733 -17.524 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.626 5.334 -17.282 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.798 5.074 -19.823 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.669 5.010 -18.272 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.255 6.582 -18.997 1.00 0.00 H new ATOM 830 N ASP A 56 15.302 8.128 -16.901 1.00 0.00 N ATOM 831 CA ASP A 56 16.413 8.693 -16.121 1.00 0.00 C ATOM 832 C ASP A 56 17.151 7.614 -15.299 1.00 0.00 C ATOM 833 O ASP A 56 16.593 7.069 -14.346 1.00 0.00 O ATOM 834 CB ASP A 56 15.828 9.786 -15.210 1.00 0.00 C ATOM 835 CG ASP A 56 16.875 10.355 -14.236 1.00 0.00 C ATOM 836 OD1 ASP A 56 17.994 10.696 -14.685 1.00 0.00 O ATOM 837 OD2 ASP A 56 16.582 10.458 -13.020 1.00 0.00 O ATOM 0 H ASP A 56 14.703 7.524 -16.338 1.00 0.00 H new ATOM 0 HA ASP A 56 17.159 9.115 -16.794 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.430 10.593 -15.824 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.993 9.375 -14.643 1.00 0.00 H new ATOM 842 N ILE A 57 18.405 7.301 -15.659 1.00 0.00 N ATOM 843 CA ILE A 57 19.290 6.356 -14.936 1.00 0.00 C ATOM 844 C ILE A 57 20.766 6.811 -14.874 1.00 0.00 C ATOM 845 O ILE A 57 21.586 6.134 -14.258 1.00 0.00 O ATOM 846 CB ILE A 57 19.189 4.917 -15.517 1.00 0.00 C ATOM 847 CG1 ILE A 57 19.559 4.848 -17.018 1.00 0.00 C ATOM 848 CG2 ILE A 57 17.797 4.307 -15.262 1.00 0.00 C ATOM 849 CD1 ILE A 57 19.679 3.416 -17.561 1.00 0.00 C ATOM 0 H ILE A 57 18.850 7.706 -16.483 1.00 0.00 H new ATOM 0 HA ILE A 57 18.924 6.348 -13.909 1.00 0.00 H new ATOM 0 HB ILE A 57 19.929 4.319 -14.985 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.804 5.383 -17.594 1.00 0.00 H new ATOM 0 HG13 ILE A 57 20.505 5.366 -17.174 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.758 3.301 -15.680 1.00 0.00 H new ATOM 0 HG22 ILE A 57 17.611 4.261 -14.189 1.00 0.00 H new ATOM 0 HG23 ILE A 57 17.036 4.926 -15.736 1.00 0.00 H new ATOM 0 HD11 ILE A 57 19.940 3.449 -18.619 1.00 0.00 H new ATOM 0 HD12 ILE A 57 20.455 2.882 -17.012 1.00 0.00 H new ATOM 0 HD13 ILE A 57 18.727 2.899 -17.438 1.00 0.00 H new ATOM 861 N SER A 58 21.129 7.947 -15.482 1.00 0.00 N ATOM 862 CA SER A 58 22.530 8.378 -15.683 1.00 0.00 C ATOM 863 C SER A 58 23.325 8.606 -14.388 1.00 0.00 C ATOM 864 O SER A 58 24.517 8.295 -14.332 1.00 0.00 O ATOM 865 CB SER A 58 22.553 9.665 -16.523 1.00 0.00 C ATOM 866 OG SER A 58 21.767 10.673 -15.910 1.00 0.00 O ATOM 0 H SER A 58 20.450 8.609 -15.857 1.00 0.00 H new ATOM 0 HA SER A 58 23.023 7.553 -16.197 1.00 0.00 H new ATOM 0 HB2 SER A 58 23.579 10.014 -16.636 1.00 0.00 H new ATOM 0 HB3 SER A 58 22.175 9.459 -17.524 1.00 0.00 H new ATOM 0 HG SER A 58 21.794 11.486 -16.456 1.00 0.00 H new ATOM 872 N GLY A 59 22.671 9.118 -13.339 1.00 0.00 N ATOM 873 CA GLY A 59 23.289 9.406 -12.037 1.00 0.00 C ATOM 874 C GLY A 59 23.392 8.207 -11.081 1.00 0.00 C ATOM 875 O GLY A 59 23.904 8.367 -9.970 1.00 0.00 O ATOM 0 H GLY A 59 21.678 9.349 -13.371 1.00 0.00 H new ATOM 0 HA2 GLY A 59 24.290 9.801 -12.208 1.00 0.00 H new ATOM 0 HA3 GLY A 59 22.715 10.193 -11.547 1.00 0.00 H new ATOM 879 N GLN A 60 22.882 7.027 -11.464 1.00 0.00 N ATOM 880 CA GLN A 60 22.741 5.876 -10.552 1.00 0.00 C ATOM 881 C GLN A 60 24.007 5.002 -10.431 1.00 0.00 C ATOM 882 O GLN A 60 24.951 5.104 -11.215 1.00 0.00 O ATOM 883 CB GLN A 60 21.504 5.039 -10.929 1.00 0.00 C ATOM 884 CG GLN A 60 20.238 5.907 -10.981 1.00 0.00 C ATOM 885 CD GLN A 60 18.940 5.111 -10.902 1.00 0.00 C ATOM 886 OE1 GLN A 60 17.955 5.578 -10.346 1.00 0.00 O ATOM 887 NE2 GLN A 60 18.841 3.936 -11.472 1.00 0.00 N ATOM 0 H GLN A 60 22.555 6.841 -12.412 1.00 0.00 H new ATOM 0 HA GLN A 60 22.598 6.294 -9.556 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.664 4.566 -11.898 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.369 4.238 -10.202 1.00 0.00 H new ATOM 0 HG2 GLN A 60 20.265 6.622 -10.158 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.243 6.485 -11.905 1.00 0.00 H new ATOM 0 HE21 GLN A 60 19.649 3.527 -11.941 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.956 3.430 -11.447 1.00 0.00 H new ATOM 896 N THR A 61 24.005 4.118 -9.426 1.00 0.00 N ATOM 897 CA THR A 61 25.039 3.099 -9.164 1.00 0.00 C ATOM 898 C THR A 61 24.392 1.772 -8.719 1.00 0.00 C ATOM 899 O THR A 61 23.165 1.645 -8.746 1.00 0.00 O ATOM 900 CB THR A 61 26.068 3.655 -8.162 1.00 0.00 C ATOM 901 OG1 THR A 61 27.207 2.820 -8.129 1.00 0.00 O ATOM 902 CG2 THR A 61 25.537 3.803 -6.731 1.00 0.00 C ATOM 0 H THR A 61 23.250 4.089 -8.740 1.00 0.00 H new ATOM 0 HA THR A 61 25.583 2.869 -10.080 1.00 0.00 H new ATOM 0 HB THR A 61 26.311 4.655 -8.520 1.00 0.00 H new ATOM 0 HG1 THR A 61 27.858 3.180 -7.491 1.00 0.00 H new ATOM 0 HG21 THR A 61 26.324 4.200 -6.090 1.00 0.00 H new ATOM 0 HG22 THR A 61 24.687 4.485 -6.727 1.00 0.00 H new ATOM 0 HG23 THR A 61 25.222 2.829 -6.357 1.00 0.00 H new ATOM 910 N SER A 62 25.191 0.771 -8.349 1.00 0.00 N ATOM 911 CA SER A 62 24.749 -0.556 -7.895 1.00 0.00 C ATOM 912 C SER A 62 25.672 -1.133 -6.810 1.00 0.00 C ATOM 913 O SER A 62 26.792 -0.654 -6.604 1.00 0.00 O ATOM 914 CB SER A 62 24.714 -1.516 -9.079 1.00 0.00 C ATOM 915 OG SER A 62 23.883 -2.636 -8.816 1.00 0.00 O ATOM 0 H SER A 62 26.207 0.862 -8.356 1.00 0.00 H new ATOM 0 HA SER A 62 23.754 -0.440 -7.465 1.00 0.00 H new ATOM 0 HB2 SER A 62 24.351 -0.992 -9.963 1.00 0.00 H new ATOM 0 HB3 SER A 62 25.725 -1.856 -9.303 1.00 0.00 H new ATOM 0 HG SER A 62 23.651 -3.076 -9.660 1.00 0.00 H new ATOM 921 N ASP A 63 25.198 -2.176 -6.130 1.00 0.00 N ATOM 922 CA ASP A 63 25.941 -2.962 -5.140 1.00 0.00 C ATOM 923 C ASP A 63 25.480 -4.434 -5.170 1.00 0.00 C ATOM 924 O ASP A 63 24.346 -4.697 -5.592 1.00 0.00 O ATOM 925 CB ASP A 63 25.739 -2.385 -3.730 1.00 0.00 C ATOM 926 CG ASP A 63 26.512 -1.077 -3.493 1.00 0.00 C ATOM 927 OD1 ASP A 63 27.754 -1.137 -3.308 1.00 0.00 O ATOM 928 OD2 ASP A 63 25.878 0.005 -3.423 1.00 0.00 O ATOM 0 H ASP A 63 24.244 -2.513 -6.258 1.00 0.00 H new ATOM 0 HA ASP A 63 27.000 -2.914 -5.392 1.00 0.00 H new ATOM 0 HB2 ASP A 63 24.676 -2.206 -3.567 1.00 0.00 H new ATOM 0 HB3 ASP A 63 26.054 -3.124 -2.994 1.00 0.00 H new ATOM 933 N PRO A 64 26.304 -5.401 -4.707 1.00 0.00 N ATOM 934 CA PRO A 64 25.916 -6.809 -4.602 1.00 0.00 C ATOM 935 C PRO A 64 24.669 -7.000 -3.733 1.00 0.00 C ATOM 936 O PRO A 64 24.545 -6.384 -2.671 1.00 0.00 O ATOM 937 CB PRO A 64 27.124 -7.542 -4.002 1.00 0.00 C ATOM 938 CG PRO A 64 28.301 -6.630 -4.344 1.00 0.00 C ATOM 939 CD PRO A 64 27.682 -5.237 -4.263 1.00 0.00 C ATOM 0 HA PRO A 64 25.653 -7.206 -5.582 1.00 0.00 H new ATOM 0 HB2 PRO A 64 27.019 -7.675 -2.925 1.00 0.00 H new ATOM 0 HB3 PRO A 64 27.247 -8.535 -4.435 1.00 0.00 H new ATOM 0 HG2 PRO A 64 29.124 -6.749 -3.639 1.00 0.00 H new ATOM 0 HG3 PRO A 64 28.700 -6.839 -5.337 1.00 0.00 H new ATOM 0 HD2 PRO A 64 27.724 -4.847 -3.246 1.00 0.00 H new ATOM 0 HD3 PRO A 64 28.218 -4.531 -4.897 1.00 0.00 H new ATOM 947 N ILE A 65 23.761 -7.889 -4.140 1.00 0.00 N ATOM 948 CA ILE A 65 22.428 -8.003 -3.516 1.00 0.00 C ATOM 949 C ILE A 65 22.447 -8.304 -2.006 1.00 0.00 C ATOM 950 O ILE A 65 21.598 -7.807 -1.269 1.00 0.00 O ATOM 951 CB ILE A 65 21.559 -9.001 -4.314 1.00 0.00 C ATOM 952 CG1 ILE A 65 20.071 -8.785 -3.979 1.00 0.00 C ATOM 953 CG2 ILE A 65 22.001 -10.468 -4.104 1.00 0.00 C ATOM 954 CD1 ILE A 65 19.132 -9.638 -4.829 1.00 0.00 C ATOM 0 H ILE A 65 23.920 -8.547 -4.903 1.00 0.00 H new ATOM 0 HA ILE A 65 21.971 -7.015 -3.570 1.00 0.00 H new ATOM 0 HB ILE A 65 21.703 -8.802 -5.376 1.00 0.00 H new ATOM 0 HG12 ILE A 65 19.906 -9.014 -2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 65 19.823 -7.733 -4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 65 21.359 -11.128 -4.686 1.00 0.00 H new ATOM 0 HG22 ILE A 65 23.034 -10.587 -4.430 1.00 0.00 H new ATOM 0 HG23 ILE A 65 21.922 -10.724 -3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 65 18.099 -9.438 -4.543 1.00 0.00 H new ATOM 0 HD12 ILE A 65 19.271 -9.393 -5.882 1.00 0.00 H new ATOM 0 HD13 ILE A 65 19.355 -10.693 -4.670 1.00 0.00 H new ATOM 966 N GLU A 66 23.455 -9.033 -1.514 1.00 0.00 N ATOM 967 CA GLU A 66 23.575 -9.398 -0.093 1.00 0.00 C ATOM 968 C GLU A 66 23.888 -8.200 0.833 1.00 0.00 C ATOM 969 O GLU A 66 23.781 -8.332 2.054 1.00 0.00 O ATOM 970 CB GLU A 66 24.621 -10.515 0.077 1.00 0.00 C ATOM 971 CG GLU A 66 24.229 -11.810 -0.646 1.00 0.00 C ATOM 972 CD GLU A 66 25.241 -12.931 -0.343 1.00 0.00 C ATOM 973 OE1 GLU A 66 26.264 -13.047 -1.063 1.00 0.00 O ATOM 974 OE2 GLU A 66 25.021 -13.711 0.618 1.00 0.00 O ATOM 0 H GLU A 66 24.216 -9.390 -2.092 1.00 0.00 H new ATOM 0 HA GLU A 66 22.596 -9.762 0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 66 25.582 -10.168 -0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 66 24.755 -10.723 1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 66 23.232 -12.119 -0.333 1.00 0.00 H new ATOM 0 HG3 GLU A 66 24.185 -11.633 -1.721 1.00 0.00 H new ATOM 981 N ASN A 67 24.230 -7.022 0.284 1.00 0.00 N ATOM 982 CA ASN A 67 24.355 -5.784 1.070 1.00 0.00 C ATOM 983 C ASN A 67 22.981 -5.176 1.456 1.00 0.00 C ATOM 984 O ASN A 67 22.905 -4.401 2.411 1.00 0.00 O ATOM 985 CB ASN A 67 25.273 -4.780 0.333 1.00 0.00 C ATOM 986 CG ASN A 67 24.504 -3.666 -0.362 1.00 0.00 C ATOM 987 OD1 ASN A 67 24.417 -2.544 0.114 1.00 0.00 O ATOM 988 ND2 ASN A 67 23.882 -3.949 -1.474 1.00 0.00 N ATOM 0 H ASN A 67 24.426 -6.902 -0.710 1.00 0.00 H new ATOM 0 HA ASN A 67 24.826 -6.033 2.021 1.00 0.00 H new ATOM 0 HB2 ASN A 67 25.969 -4.341 1.048 1.00 0.00 H new ATOM 0 HB3 ASN A 67 25.870 -5.317 -0.405 1.00 0.00 H new ATOM 0 HD21 ASN A 67 23.325 -3.234 -1.943 1.00 0.00 H new ATOM 0 HD22 ASN A 67 23.953 -4.885 -1.874 1.00 0.00 H new ATOM 995 N PHE A 68 21.909 -5.515 0.727 1.00 0.00 N ATOM 996 CA PHE A 68 20.550 -4.995 0.932 1.00 0.00 C ATOM 997 C PHE A 68 19.695 -5.918 1.831 1.00 0.00 C ATOM 998 O PHE A 68 20.078 -7.050 2.144 1.00 0.00 O ATOM 999 CB PHE A 68 19.888 -4.742 -0.439 1.00 0.00 C ATOM 1000 CG PHE A 68 20.609 -3.768 -1.354 1.00 0.00 C ATOM 1001 CD1 PHE A 68 20.903 -2.461 -0.921 1.00 0.00 C ATOM 1002 CD2 PHE A 68 20.965 -4.161 -2.660 1.00 0.00 C ATOM 1003 CE1 PHE A 68 21.565 -1.561 -1.778 1.00 0.00 C ATOM 1004 CE2 PHE A 68 21.625 -3.259 -3.513 1.00 0.00 C ATOM 1005 CZ PHE A 68 21.922 -1.960 -3.076 1.00 0.00 C ATOM 0 H PHE A 68 21.965 -6.179 -0.045 1.00 0.00 H new ATOM 0 HA PHE A 68 20.619 -4.049 1.469 1.00 0.00 H new ATOM 0 HB2 PHE A 68 19.795 -5.696 -0.957 1.00 0.00 H new ATOM 0 HB3 PHE A 68 18.877 -4.371 -0.270 1.00 0.00 H new ATOM 0 HD1 PHE A 68 20.620 -2.147 0.073 1.00 0.00 H new ATOM 0 HD2 PHE A 68 20.730 -5.157 -3.006 1.00 0.00 H new ATOM 0 HE1 PHE A 68 21.798 -0.563 -1.437 1.00 0.00 H new ATOM 0 HE2 PHE A 68 21.905 -3.568 -4.509 1.00 0.00 H new ATOM 0 HZ PHE A 68 22.424 -1.268 -3.736 1.00 0.00 H new ATOM 1015 N ASN A 69 18.513 -5.430 2.235 1.00 0.00 N ATOM 1016 CA ASN A 69 17.535 -6.141 3.074 1.00 0.00 C ATOM 1017 C ASN A 69 16.202 -6.340 2.327 1.00 0.00 C ATOM 1018 O ASN A 69 15.445 -5.387 2.136 1.00 0.00 O ATOM 1019 CB ASN A 69 17.380 -5.396 4.420 1.00 0.00 C ATOM 1020 CG ASN A 69 17.374 -3.869 4.340 1.00 0.00 C ATOM 1021 OD1 ASN A 69 18.177 -3.194 4.970 1.00 0.00 O ATOM 1022 ND2 ASN A 69 16.497 -3.269 3.565 1.00 0.00 N ATOM 0 H ASN A 69 18.200 -4.494 1.977 1.00 0.00 H new ATOM 0 HA ASN A 69 17.896 -7.145 3.295 1.00 0.00 H new ATOM 0 HB2 ASN A 69 16.450 -5.720 4.888 1.00 0.00 H new ATOM 0 HB3 ASN A 69 18.192 -5.703 5.079 1.00 0.00 H new ATOM 0 HD21 ASN A 69 16.491 -2.251 3.494 1.00 0.00 H new ATOM 0 HD22 ASN A 69 15.823 -3.821 3.035 1.00 0.00 H new ATOM 1029 N ALA A 70 15.874 -7.567 1.923 1.00 0.00 N ATOM 1030 CA ALA A 70 14.748 -7.855 1.025 1.00 0.00 C ATOM 1031 C ALA A 70 13.355 -7.570 1.614 1.00 0.00 C ATOM 1032 O ALA A 70 12.388 -7.411 0.871 1.00 0.00 O ATOM 1033 CB ALA A 70 14.849 -9.321 0.630 1.00 0.00 C ATOM 0 H ALA A 70 16.386 -8.401 2.211 1.00 0.00 H new ATOM 0 HA ALA A 70 14.832 -7.180 0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 70 14.027 -9.575 -0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.798 -9.497 0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 70 14.795 -9.943 1.523 1.00 0.00 H new ATOM 1039 N ASP A 71 13.247 -7.483 2.941 1.00 0.00 N ATOM 1040 CA ASP A 71 11.974 -7.268 3.648 1.00 0.00 C ATOM 1041 C ASP A 71 11.355 -5.891 3.345 1.00 0.00 C ATOM 1042 O ASP A 71 10.139 -5.704 3.400 1.00 0.00 O ATOM 1043 CB ASP A 71 12.252 -7.357 5.151 1.00 0.00 C ATOM 1044 CG ASP A 71 10.958 -7.331 5.988 1.00 0.00 C ATOM 1045 OD1 ASP A 71 10.155 -8.290 5.888 1.00 0.00 O ATOM 1046 OD2 ASP A 71 10.759 -6.371 6.771 1.00 0.00 O ATOM 0 H ASP A 71 14.049 -7.560 3.567 1.00 0.00 H new ATOM 0 HA ASP A 71 11.266 -8.026 3.313 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.801 -8.275 5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.892 -6.527 5.450 1.00 0.00 H new ATOM 1051 N ASP A 72 12.214 -4.931 2.999 1.00 0.00 N ATOM 1052 CA ASP A 72 11.879 -3.553 2.659 1.00 0.00 C ATOM 1053 C ASP A 72 11.534 -3.396 1.164 1.00 0.00 C ATOM 1054 O ASP A 72 11.160 -2.309 0.726 1.00 0.00 O ATOM 1055 CB ASP A 72 13.064 -2.690 3.099 1.00 0.00 C ATOM 1056 CG ASP A 72 12.751 -1.187 3.064 1.00 0.00 C ATOM 1057 OD1 ASP A 72 11.811 -0.742 3.765 1.00 0.00 O ATOM 1058 OD2 ASP A 72 13.481 -0.435 2.374 1.00 0.00 O ATOM 0 H ASP A 72 13.217 -5.107 2.946 1.00 0.00 H new ATOM 0 HA ASP A 72 10.977 -3.230 3.178 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.357 -2.972 4.110 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.917 -2.894 2.451 1.00 0.00 H new ATOM 1063 N TYR A 73 11.640 -4.492 0.398 1.00 0.00 N ATOM 1064 CA TYR A 73 11.246 -4.633 -1.000 1.00 0.00 C ATOM 1065 C TYR A 73 10.120 -5.664 -1.078 1.00 0.00 C ATOM 1066 O TYR A 73 10.342 -6.849 -1.321 1.00 0.00 O ATOM 1067 CB TYR A 73 12.447 -5.011 -1.878 1.00 0.00 C ATOM 1068 CG TYR A 73 13.604 -4.048 -1.748 1.00 0.00 C ATOM 1069 CD1 TYR A 73 14.540 -4.239 -0.721 1.00 0.00 C ATOM 1070 CD2 TYR A 73 13.715 -2.935 -2.598 1.00 0.00 C ATOM 1071 CE1 TYR A 73 15.586 -3.323 -0.526 1.00 0.00 C ATOM 1072 CE2 TYR A 73 14.765 -2.015 -2.415 1.00 0.00 C ATOM 1073 CZ TYR A 73 15.698 -2.196 -1.367 1.00 0.00 C ATOM 1074 OH TYR A 73 16.706 -1.301 -1.175 1.00 0.00 O ATOM 0 H TYR A 73 12.030 -5.358 0.770 1.00 0.00 H new ATOM 0 HA TYR A 73 10.881 -3.681 -1.387 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.784 -6.012 -1.610 1.00 0.00 H new ATOM 0 HB3 TYR A 73 12.130 -5.049 -2.920 1.00 0.00 H new ATOM 0 HD1 TYR A 73 14.455 -5.099 -0.074 1.00 0.00 H new ATOM 0 HD2 TYR A 73 12.996 -2.785 -3.390 1.00 0.00 H new ATOM 0 HE1 TYR A 73 16.303 -3.481 0.266 1.00 0.00 H new ATOM 0 HE2 TYR A 73 14.859 -1.167 -3.078 1.00 0.00 H new ATOM 0 HH TYR A 73 16.639 -0.585 -1.841 1.00 0.00 H new ATOM 1084 N ASP A 74 8.893 -5.199 -0.843 1.00 0.00 N ATOM 1085 CA ASP A 74 7.643 -5.974 -0.916 1.00 0.00 C ATOM 1086 C ASP A 74 7.490 -6.748 -2.238 1.00 0.00 C ATOM 1087 O ASP A 74 6.806 -7.769 -2.293 1.00 0.00 O ATOM 1088 CB ASP A 74 6.444 -5.014 -0.801 1.00 0.00 C ATOM 1089 CG ASP A 74 6.643 -3.913 0.251 1.00 0.00 C ATOM 1090 OD1 ASP A 74 7.350 -2.927 -0.077 1.00 0.00 O ATOM 1091 OD2 ASP A 74 6.089 -4.027 1.371 1.00 0.00 O ATOM 0 H ASP A 74 8.730 -4.226 -0.584 1.00 0.00 H new ATOM 0 HA ASP A 74 7.675 -6.694 -0.098 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.264 -4.551 -1.771 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.551 -5.588 -0.551 1.00 0.00 H new ATOM 1096 N VAL A 75 8.131 -6.260 -3.304 1.00 0.00 N ATOM 1097 CA VAL A 75 8.075 -6.804 -4.660 1.00 0.00 C ATOM 1098 C VAL A 75 9.501 -6.891 -5.220 1.00 0.00 C ATOM 1099 O VAL A 75 10.254 -5.919 -5.169 1.00 0.00 O ATOM 1100 CB VAL A 75 7.141 -5.909 -5.503 1.00 0.00 C ATOM 1101 CG1 VAL A 75 7.140 -6.328 -6.979 1.00 0.00 C ATOM 1102 CG2 VAL A 75 5.696 -5.998 -4.994 1.00 0.00 C ATOM 0 H VAL A 75 8.730 -5.437 -3.240 1.00 0.00 H new ATOM 0 HA VAL A 75 7.666 -7.814 -4.679 1.00 0.00 H new ATOM 0 HB VAL A 75 7.518 -4.891 -5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.472 -5.676 -7.542 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.150 -6.247 -7.381 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.798 -7.359 -7.064 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.056 -5.359 -5.603 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.349 -7.029 -5.061 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.655 -5.669 -3.956 1.00 0.00 H new ATOM 1112 N VAL A 76 9.897 -8.043 -5.772 1.00 0.00 N ATOM 1113 CA VAL A 76 11.251 -8.259 -6.325 1.00 0.00 C ATOM 1114 C VAL A 76 11.142 -8.939 -7.684 1.00 0.00 C ATOM 1115 O VAL A 76 10.502 -9.975 -7.805 1.00 0.00 O ATOM 1116 CB VAL A 76 12.131 -9.096 -5.374 1.00 0.00 C ATOM 1117 CG1 VAL A 76 13.495 -9.427 -6.007 1.00 0.00 C ATOM 1118 CG2 VAL A 76 12.414 -8.365 -4.055 1.00 0.00 C ATOM 0 H VAL A 76 9.290 -8.859 -5.851 1.00 0.00 H new ATOM 0 HA VAL A 76 11.732 -7.287 -6.439 1.00 0.00 H new ATOM 0 HB VAL A 76 11.564 -10.007 -5.184 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.087 -10.017 -5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.342 -9.996 -6.924 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.023 -8.502 -6.238 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.037 -8.993 -3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.933 -7.429 -4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.473 -8.153 -3.547 1.00 0.00 H new ATOM 1128 N ILE A 77 11.765 -8.360 -8.709 1.00 0.00 N ATOM 1129 CA ILE A 77 11.654 -8.796 -10.104 1.00 0.00 C ATOM 1130 C ILE A 77 13.049 -9.018 -10.693 1.00 0.00 C ATOM 1131 O ILE A 77 13.843 -8.089 -10.816 1.00 0.00 O ATOM 1132 CB ILE A 77 10.834 -7.763 -10.914 1.00 0.00 C ATOM 1133 CG1 ILE A 77 9.428 -7.460 -10.331 1.00 0.00 C ATOM 1134 CG2 ILE A 77 10.751 -8.201 -12.387 1.00 0.00 C ATOM 1135 CD1 ILE A 77 8.492 -8.652 -10.160 1.00 0.00 C ATOM 0 H ILE A 77 12.378 -7.553 -8.591 1.00 0.00 H new ATOM 0 HA ILE A 77 11.123 -9.747 -10.154 1.00 0.00 H new ATOM 0 HB ILE A 77 11.371 -6.817 -10.841 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.557 -6.985 -9.358 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.939 -6.732 -10.979 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.173 -7.470 -12.952 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.756 -8.269 -12.804 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.266 -9.175 -12.450 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.543 -8.313 -9.745 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.318 -9.120 -11.129 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.945 -9.376 -9.483 1.00 0.00 H new ATOM 1147 N SER A 78 13.355 -10.255 -11.070 1.00 0.00 N ATOM 1148 CA SER A 78 14.593 -10.646 -11.747 1.00 0.00 C ATOM 1149 C SER A 78 14.445 -10.592 -13.273 1.00 0.00 C ATOM 1150 O SER A 78 13.335 -10.653 -13.801 1.00 0.00 O ATOM 1151 CB SER A 78 15.036 -12.017 -11.220 1.00 0.00 C ATOM 1152 OG SER A 78 16.192 -12.476 -11.894 1.00 0.00 O ATOM 0 H SER A 78 12.728 -11.043 -10.908 1.00 0.00 H new ATOM 0 HA SER A 78 15.383 -9.931 -11.519 1.00 0.00 H new ATOM 0 HB2 SER A 78 15.238 -11.951 -10.151 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.228 -12.737 -11.348 1.00 0.00 H new ATOM 0 HG SER A 78 15.956 -13.234 -12.468 1.00 0.00 H new ATOM 1158 N LEU A 79 15.564 -10.464 -13.991 1.00 0.00 N ATOM 1159 CA LEU A 79 15.634 -10.475 -15.460 1.00 0.00 C ATOM 1160 C LEU A 79 16.681 -11.476 -15.988 1.00 0.00 C ATOM 1161 O LEU A 79 17.380 -11.200 -16.963 1.00 0.00 O ATOM 1162 CB LEU A 79 15.837 -9.042 -15.999 1.00 0.00 C ATOM 1163 CG LEU A 79 14.706 -8.053 -15.662 1.00 0.00 C ATOM 1164 CD1 LEU A 79 15.036 -7.181 -14.450 1.00 0.00 C ATOM 1165 CD2 LEU A 79 14.459 -7.106 -16.837 1.00 0.00 C ATOM 0 H LEU A 79 16.478 -10.346 -13.554 1.00 0.00 H new ATOM 0 HA LEU A 79 14.679 -10.833 -15.845 1.00 0.00 H new ATOM 0 HB2 LEU A 79 16.773 -8.650 -15.601 1.00 0.00 H new ATOM 0 HB3 LEU A 79 15.947 -9.090 -17.082 1.00 0.00 H new ATOM 0 HG LEU A 79 13.828 -8.662 -15.445 1.00 0.00 H new ATOM 0 HD11 LEU A 79 14.207 -6.501 -14.254 1.00 0.00 H new ATOM 0 HD12 LEU A 79 15.199 -7.815 -13.579 1.00 0.00 H new ATOM 0 HD13 LEU A 79 15.938 -6.604 -14.652 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.657 -6.413 -16.583 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.369 -6.545 -17.050 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.175 -7.684 -17.716 1.00 0.00 H new ATOM 1177 N CYS A 80 16.830 -12.618 -15.316 1.00 0.00 N ATOM 1178 CA CYS A 80 17.791 -13.673 -15.660 1.00 0.00 C ATOM 1179 C CYS A 80 17.153 -14.786 -16.516 1.00 0.00 C ATOM 1180 O CYS A 80 17.815 -15.337 -17.399 1.00 0.00 O ATOM 1181 CB CYS A 80 18.385 -14.238 -14.366 1.00 0.00 C ATOM 1182 SG CYS A 80 19.136 -12.907 -13.377 1.00 0.00 S ATOM 0 H CYS A 80 16.271 -12.843 -14.493 1.00 0.00 H new ATOM 0 HA CYS A 80 18.584 -13.240 -16.270 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.606 -14.734 -13.787 1.00 0.00 H new ATOM 0 HB3 CYS A 80 19.136 -14.992 -14.602 1.00 0.00 H new ATOM 0 HG CYS A 80 18.243 -12.404 -12.577 1.00 0.00 H new ATOM 1188 N GLY A 81 15.866 -15.065 -16.294 1.00 0.00 N ATOM 1189 CA GLY A 81 15.027 -15.942 -17.115 1.00 0.00 C ATOM 1190 C GLY A 81 14.895 -17.359 -16.551 1.00 0.00 C ATOM 1191 O GLY A 81 15.706 -18.235 -16.861 1.00 0.00 O ATOM 0 H GLY A 81 15.358 -14.669 -15.503 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.034 -15.501 -17.207 1.00 0.00 H new ATOM 0 HA3 GLY A 81 15.446 -15.996 -18.120 1.00 0.00 H new ATOM 1195 N CYS A 82 13.836 -17.582 -15.764 1.00 0.00 N ATOM 1196 CA CYS A 82 13.462 -18.871 -15.160 1.00 0.00 C ATOM 1197 C CYS A 82 14.617 -19.616 -14.442 1.00 0.00 C ATOM 1198 O CYS A 82 14.682 -20.851 -14.457 1.00 0.00 O ATOM 1199 CB CYS A 82 12.724 -19.729 -16.205 1.00 0.00 C ATOM 1200 SG CYS A 82 11.271 -18.852 -16.865 1.00 0.00 S ATOM 0 H CYS A 82 13.185 -16.836 -15.518 1.00 0.00 H new ATOM 0 HA CYS A 82 12.779 -18.659 -14.338 1.00 0.00 H new ATOM 0 HB2 CYS A 82 13.403 -19.979 -17.020 1.00 0.00 H new ATOM 0 HB3 CYS A 82 12.410 -20.669 -15.752 1.00 0.00 H new ATOM 0 HG CYS A 82 10.674 -19.601 -17.744 1.00 0.00 H new ATOM 1206 N GLY A 83 15.531 -18.876 -13.809 1.00 0.00 N ATOM 1207 CA GLY A 83 16.688 -19.393 -13.080 1.00 0.00 C ATOM 1208 C GLY A 83 17.641 -18.271 -12.648 1.00 0.00 C ATOM 1209 O GLY A 83 18.389 -17.731 -13.466 1.00 0.00 O ATOM 0 H GLY A 83 15.481 -17.857 -13.791 1.00 0.00 H new ATOM 0 HA2 GLY A 83 16.348 -19.939 -12.200 1.00 0.00 H new ATOM 0 HA3 GLY A 83 17.225 -20.103 -13.708 1.00 0.00 H new ATOM 1213 N VAL A 84 17.630 -17.948 -11.349 1.00 0.00 N ATOM 1214 CA VAL A 84 18.493 -16.925 -10.720 1.00 0.00 C ATOM 1215 C VAL A 84 18.964 -17.370 -9.323 1.00 0.00 C ATOM 1216 O VAL A 84 18.214 -18.004 -8.579 1.00 0.00 O ATOM 1217 CB VAL A 84 17.777 -15.555 -10.719 1.00 0.00 C ATOM 1218 CG1 VAL A 84 16.496 -15.518 -9.877 1.00 0.00 C ATOM 1219 CG2 VAL A 84 18.722 -14.430 -10.275 1.00 0.00 C ATOM 0 H VAL A 84 17.005 -18.401 -10.682 1.00 0.00 H new ATOM 0 HA VAL A 84 19.401 -16.809 -11.311 1.00 0.00 H new ATOM 0 HB VAL A 84 17.476 -15.395 -11.754 1.00 0.00 H new ATOM 0 HG11 VAL A 84 16.055 -14.523 -9.929 1.00 0.00 H new ATOM 0 HG12 VAL A 84 15.786 -16.250 -10.262 1.00 0.00 H new ATOM 0 HG13 VAL A 84 16.735 -15.755 -8.840 1.00 0.00 H new ATOM 0 HG21 VAL A 84 18.187 -13.480 -10.285 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.081 -14.633 -9.266 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.570 -14.376 -10.958 1.00 0.00 H new ATOM 1229 N ASN A 85 20.209 -17.043 -8.946 1.00 0.00 N ATOM 1230 CA ASN A 85 20.861 -17.531 -7.717 1.00 0.00 C ATOM 1231 C ASN A 85 20.587 -16.615 -6.499 1.00 0.00 C ATOM 1232 O ASN A 85 21.506 -16.074 -5.881 1.00 0.00 O ATOM 1233 CB ASN A 85 22.357 -17.764 -8.014 1.00 0.00 C ATOM 1234 CG ASN A 85 23.085 -18.521 -6.907 1.00 0.00 C ATOM 1235 OD1 ASN A 85 22.495 -19.122 -6.017 1.00 0.00 O ATOM 1236 ND2 ASN A 85 24.400 -18.550 -6.946 1.00 0.00 N ATOM 0 H ASN A 85 20.803 -16.421 -9.495 1.00 0.00 H new ATOM 0 HA ASN A 85 20.427 -18.486 -7.421 1.00 0.00 H new ATOM 0 HB2 ASN A 85 22.452 -18.320 -8.947 1.00 0.00 H new ATOM 0 HB3 ASN A 85 22.844 -16.801 -8.166 1.00 0.00 H new ATOM 0 HD21 ASN A 85 24.920 -19.070 -6.239 1.00 0.00 H new ATOM 0 HD22 ASN A 85 24.899 -18.053 -7.683 1.00 0.00 H new ATOM 1243 N LEU A 86 19.305 -16.375 -6.202 1.00 0.00 N ATOM 1244 CA LEU A 86 18.868 -15.463 -5.137 1.00 0.00 C ATOM 1245 C LEU A 86 18.834 -16.120 -3.740 1.00 0.00 C ATOM 1246 O LEU A 86 18.404 -17.271 -3.624 1.00 0.00 O ATOM 1247 CB LEU A 86 17.453 -14.934 -5.453 1.00 0.00 C ATOM 1248 CG LEU A 86 17.378 -13.877 -6.561 1.00 0.00 C ATOM 1249 CD1 LEU A 86 15.915 -13.532 -6.826 1.00 0.00 C ATOM 1250 CD2 LEU A 86 18.093 -12.583 -6.182 1.00 0.00 C ATOM 0 H LEU A 86 18.531 -16.814 -6.701 1.00 0.00 H new ATOM 0 HA LEU A 86 19.602 -14.658 -5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 86 16.823 -15.777 -5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 86 17.030 -14.511 -4.542 1.00 0.00 H new ATOM 0 HG LEU A 86 17.864 -14.301 -7.440 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.855 -12.781 -7.613 1.00 0.00 H new ATOM 0 HD12 LEU A 86 15.381 -14.429 -7.139 1.00 0.00 H new ATOM 0 HD13 LEU A 86 15.463 -13.140 -5.915 1.00 0.00 H new ATOM 0 HD21 LEU A 86 18.010 -11.868 -7.001 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.635 -12.163 -5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 86 19.145 -12.792 -5.988 1.00 0.00 H new ATOM 1262 N PRO A 87 19.210 -15.387 -2.668 1.00 0.00 N ATOM 1263 CA PRO A 87 18.980 -15.828 -1.290 1.00 0.00 C ATOM 1264 C PRO A 87 17.464 -15.900 -1.007 1.00 0.00 C ATOM 1265 O PRO A 87 16.695 -15.167 -1.639 1.00 0.00 O ATOM 1266 CB PRO A 87 19.697 -14.813 -0.386 1.00 0.00 C ATOM 1267 CG PRO A 87 20.698 -14.124 -1.313 1.00 0.00 C ATOM 1268 CD PRO A 87 20.017 -14.174 -2.681 1.00 0.00 C ATOM 0 HA PRO A 87 19.372 -16.828 -1.105 1.00 0.00 H new ATOM 0 HB2 PRO A 87 18.996 -14.098 0.044 1.00 0.00 H new ATOM 0 HB3 PRO A 87 20.199 -15.306 0.446 1.00 0.00 H new ATOM 0 HG2 PRO A 87 20.894 -13.098 -1.000 1.00 0.00 H new ATOM 0 HG3 PRO A 87 21.657 -14.642 -1.324 1.00 0.00 H new ATOM 0 HD2 PRO A 87 19.398 -13.292 -2.844 1.00 0.00 H new ATOM 0 HD3 PRO A 87 20.752 -14.200 -3.485 1.00 0.00 H new ATOM 1276 N PRO A 88 16.993 -16.721 -0.048 1.00 0.00 N ATOM 1277 CA PRO A 88 15.563 -17.006 0.127 1.00 0.00 C ATOM 1278 C PRO A 88 14.709 -15.772 0.468 1.00 0.00 C ATOM 1279 O PRO A 88 13.552 -15.682 0.055 1.00 0.00 O ATOM 1280 CB PRO A 88 15.493 -18.088 1.214 1.00 0.00 C ATOM 1281 CG PRO A 88 16.808 -17.936 1.977 1.00 0.00 C ATOM 1282 CD PRO A 88 17.784 -17.513 0.884 1.00 0.00 C ATOM 0 HA PRO A 88 15.130 -17.344 -0.814 1.00 0.00 H new ATOM 0 HB2 PRO A 88 14.633 -17.941 1.868 1.00 0.00 H new ATOM 0 HB3 PRO A 88 15.397 -19.083 0.780 1.00 0.00 H new ATOM 0 HG2 PRO A 88 16.734 -17.187 2.766 1.00 0.00 H new ATOM 0 HG3 PRO A 88 17.111 -18.869 2.451 1.00 0.00 H new ATOM 0 HD2 PRO A 88 18.608 -16.930 1.296 1.00 0.00 H new ATOM 0 HD3 PRO A 88 18.223 -18.380 0.390 1.00 0.00 H new ATOM 1290 N GLU A 89 15.279 -14.763 1.132 1.00 0.00 N ATOM 1291 CA GLU A 89 14.560 -13.514 1.436 1.00 0.00 C ATOM 1292 C GLU A 89 14.200 -12.680 0.184 1.00 0.00 C ATOM 1293 O GLU A 89 13.274 -11.873 0.246 1.00 0.00 O ATOM 1294 CB GLU A 89 15.318 -12.697 2.493 1.00 0.00 C ATOM 1295 CG GLU A 89 16.691 -12.171 2.053 1.00 0.00 C ATOM 1296 CD GLU A 89 17.285 -11.228 3.124 1.00 0.00 C ATOM 1297 OE1 GLU A 89 17.944 -11.729 4.070 1.00 0.00 O ATOM 1298 OE2 GLU A 89 17.101 -9.989 3.032 1.00 0.00 O ATOM 0 H GLU A 89 16.240 -14.783 1.472 1.00 0.00 H new ATOM 0 HA GLU A 89 13.597 -13.801 1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.699 -11.849 2.786 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.451 -13.316 3.380 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.369 -13.008 1.882 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.596 -11.639 1.106 1.00 0.00 H new ATOM 1305 N TRP A 90 14.862 -12.898 -0.961 1.00 0.00 N ATOM 1306 CA TRP A 90 14.621 -12.172 -2.223 1.00 0.00 C ATOM 1307 C TRP A 90 13.591 -12.834 -3.159 1.00 0.00 C ATOM 1308 O TRP A 90 13.283 -12.275 -4.211 1.00 0.00 O ATOM 1309 CB TRP A 90 15.960 -11.928 -2.934 1.00 0.00 C ATOM 1310 CG TRP A 90 16.851 -10.953 -2.233 1.00 0.00 C ATOM 1311 CD1 TRP A 90 17.878 -11.260 -1.410 1.00 0.00 C ATOM 1312 CD2 TRP A 90 16.735 -9.502 -2.203 1.00 0.00 C ATOM 1313 NE1 TRP A 90 18.398 -10.102 -0.864 1.00 0.00 N ATOM 1314 CE2 TRP A 90 17.699 -8.992 -1.288 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.867 -8.572 -2.810 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 17.753 -7.641 -0.936 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.915 -7.207 -2.474 1.00 0.00 C ATOM 1318 CH2 TRP A 90 16.842 -6.745 -1.523 1.00 0.00 C ATOM 0 H TRP A 90 15.598 -13.600 -1.041 1.00 0.00 H new ATOM 0 HA TRP A 90 14.163 -11.220 -1.954 1.00 0.00 H new ATOM 0 HB2 TRP A 90 16.485 -12.878 -3.034 1.00 0.00 H new ATOM 0 HB3 TRP A 90 15.763 -11.565 -3.943 1.00 0.00 H new ATOM 0 HD1 TRP A 90 18.238 -12.258 -1.210 1.00 0.00 H new ATOM 0 HE1 TRP A 90 19.196 -10.072 -0.229 1.00 0.00 H new ATOM 0 HE3 TRP A 90 15.153 -8.913 -3.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 18.484 -7.290 -0.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 15.238 -6.512 -2.948 1.00 0.00 H new ATOM 0 HH2 TRP A 90 16.854 -5.702 -1.243 1.00 0.00 H new ATOM 1329 N VAL A 91 13.062 -14.011 -2.801 1.00 0.00 N ATOM 1330 CA VAL A 91 12.036 -14.742 -3.583 1.00 0.00 C ATOM 1331 C VAL A 91 10.688 -14.897 -2.864 1.00 0.00 C ATOM 1332 O VAL A 91 9.679 -15.196 -3.502 1.00 0.00 O ATOM 1333 CB VAL A 91 12.546 -16.133 -4.007 1.00 0.00 C ATOM 1334 CG1 VAL A 91 13.697 -16.021 -5.011 1.00 0.00 C ATOM 1335 CG2 VAL A 91 13.018 -16.964 -2.805 1.00 0.00 C ATOM 0 H VAL A 91 13.334 -14.497 -1.947 1.00 0.00 H new ATOM 0 HA VAL A 91 11.859 -14.120 -4.461 1.00 0.00 H new ATOM 0 HB VAL A 91 11.700 -16.638 -4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 91 14.034 -17.019 -5.290 1.00 0.00 H new ATOM 0 HG12 VAL A 91 13.354 -15.492 -5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.523 -15.472 -4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 91 13.369 -17.936 -3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.831 -16.443 -2.300 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.189 -17.103 -2.111 1.00 0.00 H new ATOM 1345 N THR A 92 10.656 -14.695 -1.544 1.00 0.00 N ATOM 1346 CA THR A 92 9.499 -14.942 -0.658 1.00 0.00 C ATOM 1347 C THR A 92 8.480 -13.781 -0.611 1.00 0.00 C ATOM 1348 O THR A 92 7.508 -13.821 0.145 1.00 0.00 O ATOM 1349 CB THR A 92 10.021 -15.363 0.733 1.00 0.00 C ATOM 1350 OG1 THR A 92 8.996 -15.837 1.581 1.00 0.00 O ATOM 1351 CG2 THR A 92 10.791 -14.243 1.432 1.00 0.00 C ATOM 0 H THR A 92 11.466 -14.340 -1.035 1.00 0.00 H new ATOM 0 HA THR A 92 8.914 -15.760 -1.078 1.00 0.00 H new ATOM 0 HB THR A 92 10.709 -16.186 0.540 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.173 -15.332 1.414 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.136 -14.591 2.406 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.649 -13.957 0.824 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.138 -13.381 1.566 1.00 0.00 H new ATOM 1359 N GLN A 93 8.693 -12.737 -1.420 1.00 0.00 N ATOM 1360 CA GLN A 93 7.826 -11.568 -1.598 1.00 0.00 C ATOM 1361 C GLN A 93 6.395 -11.913 -2.059 1.00 0.00 C ATOM 1362 O GLN A 93 6.149 -12.963 -2.655 1.00 0.00 O ATOM 1363 CB GLN A 93 8.477 -10.627 -2.633 1.00 0.00 C ATOM 1364 CG GLN A 93 9.528 -9.688 -2.021 1.00 0.00 C ATOM 1365 CD GLN A 93 10.833 -10.362 -1.594 1.00 0.00 C ATOM 1366 OE1 GLN A 93 11.145 -11.480 -1.981 1.00 0.00 O ATOM 1367 NE2 GLN A 93 11.643 -9.732 -0.772 1.00 0.00 N ATOM 0 H GLN A 93 9.528 -12.683 -2.004 1.00 0.00 H new ATOM 0 HA GLN A 93 7.728 -11.095 -0.621 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.945 -11.225 -3.415 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.700 -10.030 -3.111 1.00 0.00 H new ATOM 0 HG2 GLN A 93 9.761 -8.908 -2.746 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.091 -9.196 -1.152 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.404 -8.799 -0.436 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.510 -10.176 -0.470 1.00 0.00 H new ATOM 1376 N GLU A 94 5.457 -10.980 -1.840 1.00 0.00 N ATOM 1377 CA GLU A 94 4.063 -11.115 -2.304 1.00 0.00 C ATOM 1378 C GLU A 94 3.942 -11.179 -3.837 1.00 0.00 C ATOM 1379 O GLU A 94 3.091 -11.912 -4.348 1.00 0.00 O ATOM 1380 CB GLU A 94 3.163 -10.012 -1.719 1.00 0.00 C ATOM 1381 CG GLU A 94 3.711 -8.583 -1.831 1.00 0.00 C ATOM 1382 CD GLU A 94 2.663 -7.563 -1.341 1.00 0.00 C ATOM 1383 OE1 GLU A 94 2.500 -7.400 -0.105 1.00 0.00 O ATOM 1384 OE2 GLU A 94 1.991 -6.914 -2.180 1.00 0.00 O ATOM 0 H GLU A 94 5.640 -10.111 -1.338 1.00 0.00 H new ATOM 0 HA GLU A 94 3.711 -12.075 -1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.196 -10.052 -2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.985 -10.233 -0.667 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.622 -8.489 -1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.979 -8.370 -2.866 1.00 0.00 H new ATOM 1391 N ILE A 95 4.813 -10.463 -4.569 1.00 0.00 N ATOM 1392 CA ILE A 95 4.961 -10.596 -6.029 1.00 0.00 C ATOM 1393 C ILE A 95 6.439 -10.816 -6.386 1.00 0.00 C ATOM 1394 O ILE A 95 7.304 -10.027 -5.998 1.00 0.00 O ATOM 1395 CB ILE A 95 4.324 -9.410 -6.802 1.00 0.00 C ATOM 1396 CG1 ILE A 95 2.791 -9.307 -6.595 1.00 0.00 C ATOM 1397 CG2 ILE A 95 4.580 -9.550 -8.317 1.00 0.00 C ATOM 1398 CD1 ILE A 95 2.351 -8.426 -5.422 1.00 0.00 C ATOM 0 H ILE A 95 5.440 -9.770 -4.160 1.00 0.00 H new ATOM 0 HA ILE A 95 4.403 -11.475 -6.351 1.00 0.00 H new ATOM 0 HB ILE A 95 4.794 -8.511 -6.402 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.342 -8.919 -7.509 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.392 -10.310 -6.445 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.126 -8.710 -8.842 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.654 -9.558 -8.505 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.142 -10.481 -8.676 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.263 -8.418 -5.361 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.764 -8.822 -4.494 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.713 -7.409 -5.575 1.00 0.00 H new ATOM 1410 N PHE A 96 6.702 -11.871 -7.164 1.00 0.00 N ATOM 1411 CA PHE A 96 8.010 -12.189 -7.747 1.00 0.00 C ATOM 1412 C PHE A 96 7.892 -12.605 -9.226 1.00 0.00 C ATOM 1413 O PHE A 96 6.904 -13.218 -9.633 1.00 0.00 O ATOM 1414 CB PHE A 96 8.710 -13.282 -6.920 1.00 0.00 C ATOM 1415 CG PHE A 96 10.112 -13.611 -7.407 1.00 0.00 C ATOM 1416 CD1 PHE A 96 10.319 -14.615 -8.376 1.00 0.00 C ATOM 1417 CD2 PHE A 96 11.209 -12.869 -6.937 1.00 0.00 C ATOM 1418 CE1 PHE A 96 11.610 -14.864 -8.873 1.00 0.00 C ATOM 1419 CE2 PHE A 96 12.498 -13.113 -7.441 1.00 0.00 C ATOM 1420 CZ PHE A 96 12.699 -14.106 -8.415 1.00 0.00 C ATOM 0 H PHE A 96 5.984 -12.551 -7.414 1.00 0.00 H new ATOM 0 HA PHE A 96 8.618 -11.285 -7.717 1.00 0.00 H new ATOM 0 HB2 PHE A 96 8.762 -12.961 -5.880 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.104 -14.188 -6.944 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.482 -15.195 -8.737 1.00 0.00 H new ATOM 0 HD2 PHE A 96 11.061 -12.108 -6.185 1.00 0.00 H new ATOM 0 HE1 PHE A 96 11.764 -15.640 -9.608 1.00 0.00 H new ATOM 0 HE2 PHE A 96 13.336 -12.536 -7.079 1.00 0.00 H new ATOM 0 HZ PHE A 96 13.688 -14.285 -8.810 1.00 0.00 H new ATOM 1430 N GLU A 97 8.919 -12.297 -10.022 1.00 0.00 N ATOM 1431 CA GLU A 97 9.084 -12.726 -11.424 1.00 0.00 C ATOM 1432 C GLU A 97 10.575 -12.922 -11.753 1.00 0.00 C ATOM 1433 O GLU A 97 11.427 -12.296 -11.122 1.00 0.00 O ATOM 1434 CB GLU A 97 8.542 -11.667 -12.401 1.00 0.00 C ATOM 1435 CG GLU A 97 7.076 -11.243 -12.272 1.00 0.00 C ATOM 1436 CD GLU A 97 6.047 -12.337 -12.623 1.00 0.00 C ATOM 1437 OE1 GLU A 97 6.406 -13.387 -13.212 1.00 0.00 O ATOM 1438 OE2 GLU A 97 4.843 -12.102 -12.363 1.00 0.00 O ATOM 0 H GLU A 97 9.694 -11.718 -9.699 1.00 0.00 H new ATOM 0 HA GLU A 97 8.531 -13.659 -11.536 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.157 -10.773 -12.297 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.692 -12.041 -13.414 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.898 -10.913 -11.249 1.00 0.00 H new ATOM 0 HG3 GLU A 97 6.904 -10.383 -12.919 1.00 0.00 H new ATOM 1445 N ASP A 98 10.894 -13.722 -12.776 1.00 0.00 N ATOM 1446 CA ASP A 98 12.249 -13.822 -13.340 1.00 0.00 C ATOM 1447 C ASP A 98 12.208 -13.820 -14.881 1.00 0.00 C ATOM 1448 O ASP A 98 12.144 -14.869 -15.525 1.00 0.00 O ATOM 1449 CB ASP A 98 13.012 -15.022 -12.763 1.00 0.00 C ATOM 1450 CG ASP A 98 14.457 -15.070 -13.280 1.00 0.00 C ATOM 1451 OD1 ASP A 98 15.013 -14.007 -13.652 1.00 0.00 O ATOM 1452 OD2 ASP A 98 15.043 -16.169 -13.312 1.00 0.00 O ATOM 0 H ASP A 98 10.215 -14.324 -13.241 1.00 0.00 H new ATOM 0 HA ASP A 98 12.809 -12.936 -13.041 1.00 0.00 H new ATOM 0 HB2 ASP A 98 13.015 -14.963 -11.675 1.00 0.00 H new ATOM 0 HB3 ASP A 98 12.498 -15.945 -13.031 1.00 0.00 H new ATOM 1457 N TRP A 99 12.198 -12.616 -15.462 1.00 0.00 N ATOM 1458 CA TRP A 99 11.945 -12.350 -16.881 1.00 0.00 C ATOM 1459 C TRP A 99 13.024 -12.873 -17.843 1.00 0.00 C ATOM 1460 O TRP A 99 14.219 -12.849 -17.566 1.00 0.00 O ATOM 1461 CB TRP A 99 11.670 -10.845 -17.071 1.00 0.00 C ATOM 1462 CG TRP A 99 10.419 -10.326 -16.417 1.00 0.00 C ATOM 1463 CD1 TRP A 99 9.351 -11.076 -16.046 1.00 0.00 C ATOM 1464 CD2 TRP A 99 10.073 -8.947 -16.050 1.00 0.00 C ATOM 1465 NE1 TRP A 99 8.375 -10.267 -15.509 1.00 0.00 N ATOM 1466 CE2 TRP A 99 8.781 -8.959 -15.450 1.00 0.00 C ATOM 1467 CE3 TRP A 99 10.690 -7.677 -16.175 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 8.151 -7.810 -14.972 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 10.062 -6.504 -15.701 1.00 0.00 C ATOM 1470 CH2 TRP A 99 8.799 -6.570 -15.090 1.00 0.00 C ATOM 0 H TRP A 99 12.374 -11.762 -14.932 1.00 0.00 H new ATOM 0 HA TRP A 99 11.062 -12.926 -17.159 1.00 0.00 H new ATOM 0 HB2 TRP A 99 12.521 -10.286 -16.681 1.00 0.00 H new ATOM 0 HB3 TRP A 99 11.614 -10.636 -18.139 1.00 0.00 H new ATOM 0 HD1 TRP A 99 9.277 -12.148 -16.156 1.00 0.00 H new ATOM 0 HE1 TRP A 99 7.463 -10.599 -15.194 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.661 -7.605 -16.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 7.174 -7.874 -14.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 10.556 -5.550 -15.809 1.00 0.00 H new ATOM 0 HH2 TRP A 99 8.330 -5.673 -14.714 1.00 0.00 H new ATOM 1481 N GLN A 100 12.576 -13.282 -19.032 1.00 0.00 N ATOM 1482 CA GLN A 100 13.324 -14.016 -20.070 1.00 0.00 C ATOM 1483 C GLN A 100 13.855 -13.008 -21.102 1.00 0.00 C ATOM 1484 O GLN A 100 13.650 -13.117 -22.313 1.00 0.00 O ATOM 1485 CB GLN A 100 12.425 -15.112 -20.690 1.00 0.00 C ATOM 1486 CG GLN A 100 11.667 -16.001 -19.678 1.00 0.00 C ATOM 1487 CD GLN A 100 10.366 -15.404 -19.127 1.00 0.00 C ATOM 1488 OE1 GLN A 100 9.942 -14.302 -19.465 1.00 0.00 O ATOM 1489 NE2 GLN A 100 9.686 -16.092 -18.238 1.00 0.00 N ATOM 0 H GLN A 100 11.615 -13.099 -19.321 1.00 0.00 H new ATOM 0 HA GLN A 100 14.184 -14.531 -19.643 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.696 -14.633 -21.344 1.00 0.00 H new ATOM 0 HB3 GLN A 100 13.044 -15.753 -21.318 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.437 -16.953 -20.157 1.00 0.00 H new ATOM 0 HG3 GLN A 100 12.331 -16.218 -18.841 1.00 0.00 H new ATOM 0 HE21 GLN A 100 10.017 -17.010 -17.941 1.00 0.00 H new ATOM 0 HE22 GLN A 100 8.827 -15.708 -17.845 1.00 0.00 H new ATOM 1498 N LEU A 101 14.481 -11.963 -20.563 1.00 0.00 N ATOM 1499 CA LEU A 101 14.866 -10.738 -21.254 1.00 0.00 C ATOM 1500 C LEU A 101 16.338 -10.753 -21.714 1.00 0.00 C ATOM 1501 O LEU A 101 17.225 -11.153 -20.961 1.00 0.00 O ATOM 1502 CB LEU A 101 14.475 -9.619 -20.259 1.00 0.00 C ATOM 1503 CG LEU A 101 14.191 -8.202 -20.763 1.00 0.00 C ATOM 1504 CD1 LEU A 101 15.474 -7.392 -20.906 1.00 0.00 C ATOM 1505 CD2 LEU A 101 13.403 -8.154 -22.067 1.00 0.00 C ATOM 0 H LEU A 101 14.747 -11.950 -19.578 1.00 0.00 H new ATOM 0 HA LEU A 101 14.357 -10.591 -22.206 1.00 0.00 H new ATOM 0 HB2 LEU A 101 13.586 -9.957 -19.727 1.00 0.00 H new ATOM 0 HB3 LEU A 101 15.277 -9.546 -19.525 1.00 0.00 H new ATOM 0 HG LEU A 101 13.560 -7.753 -19.996 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.234 -6.391 -21.266 1.00 0.00 H new ATOM 0 HD12 LEU A 101 15.969 -7.320 -19.938 1.00 0.00 H new ATOM 0 HD13 LEU A 101 16.138 -7.884 -21.617 1.00 0.00 H new ATOM 0 HD21 LEU A 101 13.243 -7.116 -22.357 1.00 0.00 H new ATOM 0 HD22 LEU A 101 13.962 -8.667 -22.849 1.00 0.00 H new ATOM 0 HD23 LEU A 101 12.440 -8.645 -21.928 1.00 0.00 H new ATOM 1517 N GLU A 102 16.587 -10.339 -22.960 1.00 0.00 N ATOM 1518 CA GLU A 102 17.902 -10.378 -23.617 1.00 0.00 C ATOM 1519 C GLU A 102 18.760 -9.121 -23.372 1.00 0.00 C ATOM 1520 O GLU A 102 18.343 -8.172 -22.714 1.00 0.00 O ATOM 1521 CB GLU A 102 17.704 -10.660 -25.120 1.00 0.00 C ATOM 1522 CG GLU A 102 17.056 -9.505 -25.896 1.00 0.00 C ATOM 1523 CD GLU A 102 16.815 -9.898 -27.365 1.00 0.00 C ATOM 1524 OE1 GLU A 102 17.784 -9.889 -28.163 1.00 0.00 O ATOM 1525 OE2 GLU A 102 15.659 -10.227 -27.727 1.00 0.00 O ATOM 0 H GLU A 102 15.857 -9.955 -23.560 1.00 0.00 H new ATOM 0 HA GLU A 102 18.474 -11.187 -23.164 1.00 0.00 H new ATOM 0 HB2 GLU A 102 18.672 -10.885 -25.567 1.00 0.00 H new ATOM 0 HB3 GLU A 102 17.086 -11.551 -25.233 1.00 0.00 H new ATOM 0 HG2 GLU A 102 16.110 -9.233 -25.428 1.00 0.00 H new ATOM 0 HG3 GLU A 102 17.698 -8.626 -25.851 1.00 0.00 H new ATOM 1532 N ASP A 103 19.972 -9.104 -23.931 1.00 0.00 N ATOM 1533 CA ASP A 103 20.910 -7.979 -23.818 1.00 0.00 C ATOM 1534 C ASP A 103 20.924 -7.117 -25.091 1.00 0.00 C ATOM 1535 O ASP A 103 21.375 -7.588 -26.141 1.00 0.00 O ATOM 1536 CB ASP A 103 22.324 -8.505 -23.517 1.00 0.00 C ATOM 1537 CG ASP A 103 22.362 -9.391 -22.270 1.00 0.00 C ATOM 1538 OD1 ASP A 103 22.096 -8.887 -21.158 1.00 0.00 O ATOM 1539 OD2 ASP A 103 22.628 -10.611 -22.370 1.00 0.00 O ATOM 0 H ASP A 103 20.337 -9.880 -24.483 1.00 0.00 H new ATOM 0 HA ASP A 103 20.575 -7.346 -22.997 1.00 0.00 H new ATOM 0 HB2 ASP A 103 22.688 -9.072 -24.374 1.00 0.00 H new ATOM 0 HB3 ASP A 103 23.001 -7.662 -23.381 1.00 0.00 H new ATOM 1544 N PRO A 104 20.475 -5.850 -25.038 1.00 0.00 N ATOM 1545 CA PRO A 104 20.534 -4.969 -26.201 1.00 0.00 C ATOM 1546 C PRO A 104 21.942 -4.402 -26.464 1.00 0.00 C ATOM 1547 O PRO A 104 22.278 -4.107 -27.608 1.00 0.00 O ATOM 1548 CB PRO A 104 19.521 -3.865 -25.902 1.00 0.00 C ATOM 1549 CG PRO A 104 19.529 -3.762 -24.374 1.00 0.00 C ATOM 1550 CD PRO A 104 19.782 -5.205 -23.925 1.00 0.00 C ATOM 0 HA PRO A 104 20.299 -5.512 -27.116 1.00 0.00 H new ATOM 0 HB2 PRO A 104 19.808 -2.922 -26.368 1.00 0.00 H new ATOM 0 HB3 PRO A 104 18.531 -4.118 -26.280 1.00 0.00 H new ATOM 0 HG2 PRO A 104 20.309 -3.088 -24.020 1.00 0.00 H new ATOM 0 HG3 PRO A 104 18.582 -3.382 -23.991 1.00 0.00 H new ATOM 0 HD2 PRO A 104 20.387 -5.233 -23.019 1.00 0.00 H new ATOM 0 HD3 PRO A 104 18.845 -5.715 -23.699 1.00 0.00 H new ATOM 1558 N ASP A 105 22.796 -4.298 -25.438 1.00 0.00 N ATOM 1559 CA ASP A 105 24.143 -3.714 -25.518 1.00 0.00 C ATOM 1560 C ASP A 105 25.158 -4.536 -26.333 1.00 0.00 C ATOM 1561 O ASP A 105 26.147 -3.981 -26.817 1.00 0.00 O ATOM 1562 CB ASP A 105 24.649 -3.430 -24.097 1.00 0.00 C ATOM 1563 CG ASP A 105 24.581 -4.676 -23.205 1.00 0.00 C ATOM 1564 OD1 ASP A 105 23.458 -4.985 -22.742 1.00 0.00 O ATOM 1565 OD2 ASP A 105 25.624 -5.340 -22.993 1.00 0.00 O ATOM 0 H ASP A 105 22.563 -4.627 -24.501 1.00 0.00 H new ATOM 0 HA ASP A 105 24.052 -2.784 -26.080 1.00 0.00 H new ATOM 0 HB2 ASP A 105 25.678 -3.072 -24.143 1.00 0.00 H new ATOM 0 HB3 ASP A 105 24.054 -2.633 -23.652 1.00 0.00 H new ATOM 1570 N GLY A 106 24.901 -5.833 -26.545 1.00 0.00 N ATOM 1571 CA GLY A 106 25.658 -6.675 -27.483 1.00 0.00 C ATOM 1572 C GLY A 106 25.132 -6.618 -28.929 1.00 0.00 C ATOM 1573 O GLY A 106 25.618 -7.360 -29.784 1.00 0.00 O ATOM 0 H GLY A 106 24.153 -6.334 -26.065 1.00 0.00 H new ATOM 0 HA2 GLY A 106 26.703 -6.365 -27.473 1.00 0.00 H new ATOM 0 HA3 GLY A 106 25.629 -7.708 -27.135 1.00 0.00 H new ATOM 1577 N GLN A 107 24.121 -5.780 -29.199 1.00 0.00 N ATOM 1578 CA GLN A 107 23.339 -5.729 -30.444 1.00 0.00 C ATOM 1579 C GLN A 107 23.091 -4.277 -30.927 1.00 0.00 C ATOM 1580 O GLN A 107 23.748 -3.332 -30.476 1.00 0.00 O ATOM 1581 CB GLN A 107 22.027 -6.512 -30.209 1.00 0.00 C ATOM 1582 CG GLN A 107 22.245 -7.990 -29.841 1.00 0.00 C ATOM 1583 CD GLN A 107 20.921 -8.737 -29.713 1.00 0.00 C ATOM 1584 OE1 GLN A 107 20.380 -9.269 -30.676 1.00 0.00 O ATOM 1585 NE2 GLN A 107 20.340 -8.787 -28.536 1.00 0.00 N ATOM 0 H GLN A 107 23.810 -5.084 -28.521 1.00 0.00 H new ATOM 0 HA GLN A 107 23.901 -6.195 -31.253 1.00 0.00 H new ATOM 0 HB2 GLN A 107 21.463 -6.028 -29.412 1.00 0.00 H new ATOM 0 HB3 GLN A 107 21.416 -6.458 -31.110 1.00 0.00 H new ATOM 0 HG2 GLN A 107 22.861 -8.468 -30.602 1.00 0.00 H new ATOM 0 HG3 GLN A 107 22.793 -8.055 -28.901 1.00 0.00 H new ATOM 0 HE21 GLN A 107 20.783 -8.347 -27.729 1.00 0.00 H new ATOM 0 HE22 GLN A 107 19.446 -9.266 -28.429 1.00 0.00 H new ATOM 1594 N SER A 108 22.201 -4.103 -31.914 1.00 0.00 N ATOM 1595 CA SER A 108 21.947 -2.827 -32.604 1.00 0.00 C ATOM 1596 C SER A 108 21.141 -1.806 -31.788 1.00 0.00 C ATOM 1597 O SER A 108 20.505 -2.121 -30.780 1.00 0.00 O ATOM 1598 CB SER A 108 21.241 -3.103 -33.940 1.00 0.00 C ATOM 1599 OG SER A 108 19.876 -3.408 -33.726 1.00 0.00 O ATOM 0 H SER A 108 21.621 -4.865 -32.265 1.00 0.00 H new ATOM 0 HA SER A 108 22.923 -2.369 -32.761 1.00 0.00 H new ATOM 0 HB2 SER A 108 21.327 -2.233 -34.590 1.00 0.00 H new ATOM 0 HB3 SER A 108 21.729 -3.933 -34.451 1.00 0.00 H new ATOM 0 HG SER A 108 19.440 -3.580 -34.587 1.00 0.00 H new ATOM 1605 N LEU A 109 21.097 -0.566 -32.285 1.00 0.00 N ATOM 1606 CA LEU A 109 20.266 0.505 -31.731 1.00 0.00 C ATOM 1607 C LEU A 109 18.770 0.238 -31.976 1.00 0.00 C ATOM 1608 O LEU A 109 17.936 0.560 -31.134 1.00 0.00 O ATOM 1609 CB LEU A 109 20.731 1.865 -32.291 1.00 0.00 C ATOM 1610 CG LEU A 109 22.173 2.312 -31.952 1.00 0.00 C ATOM 1611 CD1 LEU A 109 22.522 2.131 -30.475 1.00 0.00 C ATOM 1612 CD2 LEU A 109 23.259 1.615 -32.779 1.00 0.00 C ATOM 0 H LEU A 109 21.645 -0.275 -33.094 1.00 0.00 H new ATOM 0 HA LEU A 109 20.390 0.533 -30.648 1.00 0.00 H new ATOM 0 HB2 LEU A 109 20.633 1.835 -33.376 1.00 0.00 H new ATOM 0 HB3 LEU A 109 20.046 2.632 -31.930 1.00 0.00 H new ATOM 0 HG LEU A 109 22.167 3.372 -32.207 1.00 0.00 H new ATOM 0 HD11 LEU A 109 23.546 2.462 -30.300 1.00 0.00 H new ATOM 0 HD12 LEU A 109 21.840 2.723 -29.865 1.00 0.00 H new ATOM 0 HD13 LEU A 109 22.430 1.079 -30.206 1.00 0.00 H new ATOM 0 HD21 LEU A 109 24.239 1.986 -32.479 1.00 0.00 H new ATOM 0 HD22 LEU A 109 23.211 0.539 -32.610 1.00 0.00 H new ATOM 0 HD23 LEU A 109 23.101 1.824 -33.837 1.00 0.00 H new ATOM 1624 N GLU A 110 18.423 -0.451 -33.067 1.00 0.00 N ATOM 1625 CA GLU A 110 17.062 -0.956 -33.294 1.00 0.00 C ATOM 1626 C GLU A 110 16.703 -2.048 -32.270 1.00 0.00 C ATOM 1627 O GLU A 110 15.577 -2.082 -31.773 1.00 0.00 O ATOM 1628 CB GLU A 110 16.943 -1.456 -34.743 1.00 0.00 C ATOM 1629 CG GLU A 110 15.508 -1.843 -35.119 1.00 0.00 C ATOM 1630 CD GLU A 110 15.416 -2.225 -36.609 1.00 0.00 C ATOM 1631 OE1 GLU A 110 15.643 -3.412 -36.951 1.00 0.00 O ATOM 1632 OE2 GLU A 110 15.116 -1.346 -37.453 1.00 0.00 O ATOM 0 H GLU A 110 19.076 -0.675 -33.818 1.00 0.00 H new ATOM 0 HA GLU A 110 16.343 -0.149 -33.151 1.00 0.00 H new ATOM 0 HB2 GLU A 110 17.295 -0.679 -35.421 1.00 0.00 H new ATOM 0 HB3 GLU A 110 17.595 -2.318 -34.880 1.00 0.00 H new ATOM 0 HG2 GLU A 110 15.179 -2.680 -34.503 1.00 0.00 H new ATOM 0 HG3 GLU A 110 14.836 -1.011 -34.910 1.00 0.00 H new ATOM 1639 N VAL A 111 17.668 -2.882 -31.859 1.00 0.00 N ATOM 1640 CA VAL A 111 17.476 -3.846 -30.768 1.00 0.00 C ATOM 1641 C VAL A 111 17.335 -3.141 -29.419 1.00 0.00 C ATOM 1642 O VAL A 111 16.435 -3.504 -28.671 1.00 0.00 O ATOM 1643 CB VAL A 111 18.530 -4.969 -30.767 1.00 0.00 C ATOM 1644 CG1 VAL A 111 18.375 -5.881 -29.545 1.00 0.00 C ATOM 1645 CG2 VAL A 111 18.352 -5.871 -31.996 1.00 0.00 C ATOM 0 H VAL A 111 18.600 -2.907 -32.272 1.00 0.00 H new ATOM 0 HA VAL A 111 16.530 -4.355 -30.952 1.00 0.00 H new ATOM 0 HB VAL A 111 19.504 -4.479 -30.763 1.00 0.00 H new ATOM 0 HG11 VAL A 111 19.134 -6.662 -29.576 1.00 0.00 H new ATOM 0 HG12 VAL A 111 18.495 -5.293 -28.635 1.00 0.00 H new ATOM 0 HG13 VAL A 111 17.385 -6.337 -29.554 1.00 0.00 H new ATOM 0 HG21 VAL A 111 19.104 -6.660 -31.981 1.00 0.00 H new ATOM 0 HG22 VAL A 111 17.358 -6.318 -31.979 1.00 0.00 H new ATOM 0 HG23 VAL A 111 18.467 -5.277 -32.903 1.00 0.00 H new ATOM 1655 N PHE A 112 18.087 -2.075 -29.112 1.00 0.00 N ATOM 1656 CA PHE A 112 17.829 -1.236 -27.920 1.00 0.00 C ATOM 1657 C PHE A 112 16.394 -0.698 -27.914 1.00 0.00 C ATOM 1658 O PHE A 112 15.673 -0.856 -26.930 1.00 0.00 O ATOM 1659 CB PHE A 112 18.818 -0.060 -27.841 1.00 0.00 C ATOM 1660 CG PHE A 112 20.095 -0.320 -27.070 1.00 0.00 C ATOM 1661 CD1 PHE A 112 20.077 -0.278 -25.662 1.00 0.00 C ATOM 1662 CD2 PHE A 112 21.306 -0.557 -27.742 1.00 0.00 C ATOM 1663 CE1 PHE A 112 21.262 -0.452 -24.929 1.00 0.00 C ATOM 1664 CE2 PHE A 112 22.494 -0.735 -27.013 1.00 0.00 C ATOM 1665 CZ PHE A 112 22.474 -0.669 -25.608 1.00 0.00 C ATOM 0 H PHE A 112 18.883 -1.768 -29.671 1.00 0.00 H new ATOM 0 HA PHE A 112 17.968 -1.874 -27.047 1.00 0.00 H new ATOM 0 HB2 PHE A 112 19.083 0.235 -28.856 1.00 0.00 H new ATOM 0 HB3 PHE A 112 18.308 0.789 -27.385 1.00 0.00 H new ATOM 0 HD1 PHE A 112 19.145 -0.111 -25.143 1.00 0.00 H new ATOM 0 HD2 PHE A 112 21.324 -0.602 -28.821 1.00 0.00 H new ATOM 0 HE1 PHE A 112 21.243 -0.419 -23.850 1.00 0.00 H new ATOM 0 HE2 PHE A 112 23.423 -0.923 -27.532 1.00 0.00 H new ATOM 0 HZ PHE A 112 23.391 -0.785 -25.050 1.00 0.00 H new ATOM 1675 N ARG A 113 15.939 -0.147 -29.044 1.00 0.00 N ATOM 1676 CA ARG A 113 14.573 0.385 -29.218 1.00 0.00 C ATOM 1677 C ARG A 113 13.485 -0.705 -29.233 1.00 0.00 C ATOM 1678 O ARG A 113 12.320 -0.396 -28.997 1.00 0.00 O ATOM 1679 CB ARG A 113 14.540 1.286 -30.469 1.00 0.00 C ATOM 1680 CG ARG A 113 15.357 2.578 -30.259 1.00 0.00 C ATOM 1681 CD ARG A 113 15.273 3.503 -31.476 1.00 0.00 C ATOM 1682 NE ARG A 113 15.875 4.825 -31.192 1.00 0.00 N ATOM 1683 CZ ARG A 113 16.796 5.469 -31.882 1.00 0.00 C ATOM 1684 NH1 ARG A 113 17.366 4.965 -32.944 1.00 0.00 N ATOM 1685 NH2 ARG A 113 17.158 6.661 -31.514 1.00 0.00 N ATOM 0 H ARG A 113 16.515 -0.054 -29.881 1.00 0.00 H new ATOM 0 HA ARG A 113 14.327 0.987 -28.343 1.00 0.00 H new ATOM 0 HB2 ARG A 113 14.937 0.738 -31.323 1.00 0.00 H new ATOM 0 HB3 ARG A 113 13.508 1.542 -30.707 1.00 0.00 H new ATOM 0 HG2 ARG A 113 14.989 3.102 -29.377 1.00 0.00 H new ATOM 0 HG3 ARG A 113 16.399 2.323 -30.067 1.00 0.00 H new ATOM 0 HD2 ARG A 113 15.785 3.042 -32.321 1.00 0.00 H new ATOM 0 HD3 ARG A 113 14.230 3.631 -31.766 1.00 0.00 H new ATOM 0 HE ARG A 113 15.534 5.299 -30.355 1.00 0.00 H new ATOM 0 HH11 ARG A 113 17.103 4.036 -33.271 1.00 0.00 H new ATOM 0 HH12 ARG A 113 18.074 5.501 -33.446 1.00 0.00 H new ATOM 0 HH21 ARG A 113 16.730 7.094 -30.695 1.00 0.00 H new ATOM 0 HH22 ARG A 113 17.870 7.164 -32.044 1.00 0.00 H new ATOM 1699 N THR A 114 13.863 -1.977 -29.401 1.00 0.00 N ATOM 1700 CA THR A 114 12.994 -3.158 -29.254 1.00 0.00 C ATOM 1701 C THR A 114 12.963 -3.693 -27.817 1.00 0.00 C ATOM 1702 O THR A 114 11.880 -3.890 -27.265 1.00 0.00 O ATOM 1703 CB THR A 114 13.401 -4.267 -30.245 1.00 0.00 C ATOM 1704 OG1 THR A 114 13.376 -3.778 -31.570 1.00 0.00 O ATOM 1705 CG2 THR A 114 12.446 -5.463 -30.207 1.00 0.00 C ATOM 0 H THR A 114 14.820 -2.226 -29.653 1.00 0.00 H new ATOM 0 HA THR A 114 11.981 -2.834 -29.491 1.00 0.00 H new ATOM 0 HB THR A 114 14.401 -4.581 -29.946 1.00 0.00 H new ATOM 0 HG1 THR A 114 14.140 -3.181 -31.713 1.00 0.00 H new ATOM 0 HG21 THR A 114 12.777 -6.216 -30.923 1.00 0.00 H new ATOM 0 HG22 THR A 114 12.441 -5.893 -29.205 1.00 0.00 H new ATOM 0 HG23 THR A 114 11.440 -5.133 -30.466 1.00 0.00 H new ATOM 1713 N VAL A 115 14.120 -3.897 -27.171 1.00 0.00 N ATOM 1714 CA VAL A 115 14.208 -4.483 -25.813 1.00 0.00 C ATOM 1715 C VAL A 115 13.683 -3.513 -24.763 1.00 0.00 C ATOM 1716 O VAL A 115 12.993 -3.955 -23.847 1.00 0.00 O ATOM 1717 CB VAL A 115 15.606 -5.077 -25.478 1.00 0.00 C ATOM 1718 CG1 VAL A 115 15.572 -5.810 -24.133 1.00 0.00 C ATOM 1719 CG2 VAL A 115 16.028 -6.114 -26.529 1.00 0.00 C ATOM 0 H VAL A 115 15.028 -3.662 -27.572 1.00 0.00 H new ATOM 0 HA VAL A 115 13.548 -5.351 -25.797 1.00 0.00 H new ATOM 0 HB VAL A 115 16.306 -4.241 -25.454 1.00 0.00 H new ATOM 0 HG11 VAL A 115 16.559 -6.219 -23.916 1.00 0.00 H new ATOM 0 HG12 VAL A 115 15.287 -5.112 -23.346 1.00 0.00 H new ATOM 0 HG13 VAL A 115 14.846 -6.621 -24.179 1.00 0.00 H new ATOM 0 HG21 VAL A 115 17.009 -6.514 -26.272 1.00 0.00 H new ATOM 0 HG22 VAL A 115 15.300 -6.925 -26.553 1.00 0.00 H new ATOM 0 HG23 VAL A 115 16.075 -5.640 -27.509 1.00 0.00 H new ATOM 1729 N ARG A 116 13.829 -2.195 -24.963 1.00 0.00 N ATOM 1730 CA ARG A 116 13.173 -1.183 -24.105 1.00 0.00 C ATOM 1731 C ARG A 116 11.655 -1.361 -24.048 1.00 0.00 C ATOM 1732 O ARG A 116 11.073 -1.293 -22.978 1.00 0.00 O ATOM 1733 CB ARG A 116 13.598 0.240 -24.531 1.00 0.00 C ATOM 1734 CG ARG A 116 12.792 0.869 -25.677 1.00 0.00 C ATOM 1735 CD ARG A 116 13.282 2.272 -26.041 1.00 0.00 C ATOM 1736 NE ARG A 116 12.482 2.806 -27.164 1.00 0.00 N ATOM 1737 CZ ARG A 116 12.711 3.910 -27.851 1.00 0.00 C ATOM 1738 NH1 ARG A 116 13.709 4.687 -27.576 1.00 0.00 N ATOM 1739 NH2 ARG A 116 11.956 4.246 -28.853 1.00 0.00 N ATOM 0 H ARG A 116 14.396 -1.799 -25.712 1.00 0.00 H new ATOM 0 HA ARG A 116 13.516 -1.334 -23.081 1.00 0.00 H new ATOM 0 HB2 ARG A 116 13.527 0.894 -23.662 1.00 0.00 H new ATOM 0 HB3 ARG A 116 14.647 0.212 -24.824 1.00 0.00 H new ATOM 0 HG2 ARG A 116 12.855 0.227 -26.556 1.00 0.00 H new ATOM 0 HG3 ARG A 116 11.741 0.918 -25.393 1.00 0.00 H new ATOM 0 HD2 ARG A 116 13.199 2.932 -25.177 1.00 0.00 H new ATOM 0 HD3 ARG A 116 14.336 2.239 -26.317 1.00 0.00 H new ATOM 0 HE ARG A 116 11.664 2.262 -27.438 1.00 0.00 H new ATOM 0 HH11 ARG A 116 14.342 4.452 -26.812 1.00 0.00 H new ATOM 0 HH12 ARG A 116 13.862 5.534 -28.124 1.00 0.00 H new ATOM 0 HH21 ARG A 116 11.170 3.653 -29.121 1.00 0.00 H new ATOM 0 HH22 ARG A 116 12.149 5.103 -29.372 1.00 0.00 H new ATOM 1753 N GLY A 117 11.028 -1.691 -25.181 1.00 0.00 N ATOM 1754 CA GLY A 117 9.583 -1.934 -25.281 1.00 0.00 C ATOM 1755 C GLY A 117 9.156 -3.231 -24.595 1.00 0.00 C ATOM 1756 O GLY A 117 8.116 -3.263 -23.941 1.00 0.00 O ATOM 0 H GLY A 117 11.517 -1.799 -26.070 1.00 0.00 H new ATOM 0 HA2 GLY A 117 9.046 -1.097 -24.834 1.00 0.00 H new ATOM 0 HA3 GLY A 117 9.297 -1.972 -26.332 1.00 0.00 H new ATOM 1760 N GLN A 118 10.000 -4.271 -24.632 1.00 0.00 N ATOM 1761 CA GLN A 118 9.728 -5.538 -23.935 1.00 0.00 C ATOM 1762 C GLN A 118 9.818 -5.346 -22.417 1.00 0.00 C ATOM 1763 O GLN A 118 8.934 -5.770 -21.678 1.00 0.00 O ATOM 1764 CB GLN A 118 10.660 -6.668 -24.419 1.00 0.00 C ATOM 1765 CG GLN A 118 10.788 -6.866 -25.940 1.00 0.00 C ATOM 1766 CD GLN A 118 9.485 -6.689 -26.720 1.00 0.00 C ATOM 1767 OE1 GLN A 118 8.560 -7.480 -26.621 1.00 0.00 O ATOM 1768 NE2 GLN A 118 9.372 -5.648 -27.522 1.00 0.00 N ATOM 0 H GLN A 118 10.884 -4.260 -25.141 1.00 0.00 H new ATOM 0 HA GLN A 118 8.710 -5.843 -24.179 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.656 -6.481 -24.017 1.00 0.00 H new ATOM 0 HB3 GLN A 118 10.311 -7.604 -23.984 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.524 -6.159 -26.324 1.00 0.00 H new ATOM 0 HG3 GLN A 118 11.177 -7.866 -26.131 1.00 0.00 H new ATOM 0 HE21 GLN A 118 10.142 -4.985 -27.608 1.00 0.00 H new ATOM 0 HE22 GLN A 118 8.515 -5.506 -28.056 1.00 0.00 H new ATOM 1777 N VAL A 119 10.839 -4.614 -21.957 1.00 0.00 N ATOM 1778 CA VAL A 119 10.945 -4.157 -20.557 1.00 0.00 C ATOM 1779 C VAL A 119 9.740 -3.298 -20.177 1.00 0.00 C ATOM 1780 O VAL A 119 9.123 -3.560 -19.152 1.00 0.00 O ATOM 1781 CB VAL A 119 12.261 -3.389 -20.334 1.00 0.00 C ATOM 1782 CG1 VAL A 119 12.354 -2.767 -18.939 1.00 0.00 C ATOM 1783 CG2 VAL A 119 13.469 -4.317 -20.485 1.00 0.00 C ATOM 0 H VAL A 119 11.620 -4.318 -22.543 1.00 0.00 H new ATOM 0 HA VAL A 119 10.952 -5.034 -19.910 1.00 0.00 H new ATOM 0 HB VAL A 119 12.266 -2.601 -21.087 1.00 0.00 H new ATOM 0 HG11 VAL A 119 13.302 -2.239 -18.839 1.00 0.00 H new ATOM 0 HG12 VAL A 119 11.531 -2.066 -18.798 1.00 0.00 H new ATOM 0 HG13 VAL A 119 12.295 -3.553 -18.186 1.00 0.00 H new ATOM 0 HG21 VAL A 119 14.386 -3.750 -20.323 1.00 0.00 H new ATOM 0 HG22 VAL A 119 13.405 -5.121 -19.751 1.00 0.00 H new ATOM 0 HG23 VAL A 119 13.478 -4.742 -21.489 1.00 0.00 H new ATOM 1793 N LYS A 120 9.352 -2.326 -21.010 1.00 0.00 N ATOM 1794 CA LYS A 120 8.212 -1.425 -20.769 1.00 0.00 C ATOM 1795 C LYS A 120 6.912 -2.185 -20.547 1.00 0.00 C ATOM 1796 O LYS A 120 6.256 -1.930 -19.553 1.00 0.00 O ATOM 1797 CB LYS A 120 8.118 -0.400 -21.918 1.00 0.00 C ATOM 1798 CG LYS A 120 7.022 0.662 -21.724 1.00 0.00 C ATOM 1799 CD LYS A 120 5.691 0.350 -22.434 1.00 0.00 C ATOM 1800 CE LYS A 120 4.742 1.549 -22.278 1.00 0.00 C ATOM 1801 NZ LYS A 120 3.415 1.295 -22.902 1.00 0.00 N ATOM 0 H LYS A 120 9.830 -2.137 -21.891 1.00 0.00 H new ATOM 0 HA LYS A 120 8.384 -0.881 -19.840 1.00 0.00 H new ATOM 0 HB2 LYS A 120 9.080 0.101 -22.023 1.00 0.00 H new ATOM 0 HB3 LYS A 120 7.932 -0.932 -22.851 1.00 0.00 H new ATOM 0 HG2 LYS A 120 6.831 0.777 -20.657 1.00 0.00 H new ATOM 0 HG3 LYS A 120 7.395 1.620 -22.086 1.00 0.00 H new ATOM 0 HD2 LYS A 120 5.868 0.146 -23.490 1.00 0.00 H new ATOM 0 HD3 LYS A 120 5.239 -0.545 -22.007 1.00 0.00 H new ATOM 0 HE2 LYS A 120 4.608 1.770 -21.219 1.00 0.00 H new ATOM 0 HE3 LYS A 120 5.194 2.430 -22.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 2.995 2.197 -23.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 3.533 0.674 -23.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 2.789 0.835 -22.211 1.00 0.00 H new ATOM 1815 N GLU A 121 6.546 -3.142 -21.398 1.00 0.00 N ATOM 1816 CA GLU A 121 5.282 -3.894 -21.239 1.00 0.00 C ATOM 1817 C GLU A 121 5.326 -4.913 -20.088 1.00 0.00 C ATOM 1818 O GLU A 121 4.312 -5.155 -19.426 1.00 0.00 O ATOM 1819 CB GLU A 121 4.839 -4.536 -22.564 1.00 0.00 C ATOM 1820 CG GLU A 121 5.706 -5.701 -23.058 1.00 0.00 C ATOM 1821 CD GLU A 121 5.134 -6.290 -24.364 1.00 0.00 C ATOM 1822 OE1 GLU A 121 5.293 -5.671 -25.443 1.00 0.00 O ATOM 1823 OE2 GLU A 121 4.509 -7.378 -24.319 1.00 0.00 O ATOM 0 H GLU A 121 7.100 -3.422 -22.207 1.00 0.00 H new ATOM 0 HA GLU A 121 4.523 -3.164 -20.957 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.815 -4.891 -22.450 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.825 -3.765 -23.334 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.726 -5.356 -23.225 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.752 -6.476 -22.293 1.00 0.00 H new ATOM 1830 N ARG A 122 6.513 -5.460 -19.787 1.00 0.00 N ATOM 1831 CA ARG A 122 6.744 -6.296 -18.596 1.00 0.00 C ATOM 1832 C ARG A 122 6.560 -5.479 -17.311 1.00 0.00 C ATOM 1833 O ARG A 122 5.743 -5.839 -16.468 1.00 0.00 O ATOM 1834 CB ARG A 122 8.115 -6.990 -18.706 1.00 0.00 C ATOM 1835 CG ARG A 122 8.079 -8.141 -19.732 1.00 0.00 C ATOM 1836 CD ARG A 122 9.482 -8.704 -19.991 1.00 0.00 C ATOM 1837 NE ARG A 122 9.437 -9.888 -20.881 1.00 0.00 N ATOM 1838 CZ ARG A 122 9.311 -11.165 -20.553 1.00 0.00 C ATOM 1839 NH1 ARG A 122 9.067 -11.564 -19.338 1.00 0.00 N ATOM 1840 NH2 ARG A 122 9.457 -12.099 -21.444 1.00 0.00 N ATOM 0 H ARG A 122 7.344 -5.335 -20.364 1.00 0.00 H new ATOM 0 HA ARG A 122 5.997 -7.088 -18.545 1.00 0.00 H new ATOM 0 HB2 ARG A 122 8.871 -6.262 -18.999 1.00 0.00 H new ATOM 0 HB3 ARG A 122 8.408 -7.378 -17.731 1.00 0.00 H new ATOM 0 HG2 ARG A 122 7.428 -8.936 -19.367 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.651 -7.783 -20.668 1.00 0.00 H new ATOM 0 HD2 ARG A 122 10.107 -7.933 -20.441 1.00 0.00 H new ATOM 0 HD3 ARG A 122 9.946 -8.977 -19.043 1.00 0.00 H new ATOM 0 HE ARG A 122 9.513 -9.694 -21.879 1.00 0.00 H new ATOM 0 HH11 ARG A 122 8.964 -10.881 -18.588 1.00 0.00 H new ATOM 0 HH12 ARG A 122 8.979 -12.560 -19.136 1.00 0.00 H new ATOM 0 HH21 ARG A 122 9.671 -11.853 -22.410 1.00 0.00 H new ATOM 0 HH22 ARG A 122 9.357 -13.078 -21.177 1.00 0.00 H new ATOM 1854 N VAL A 123 7.215 -4.320 -17.214 1.00 0.00 N ATOM 1855 CA VAL A 123 6.995 -3.312 -16.158 1.00 0.00 C ATOM 1856 C VAL A 123 5.537 -2.847 -16.082 1.00 0.00 C ATOM 1857 O VAL A 123 4.991 -2.796 -14.989 1.00 0.00 O ATOM 1858 CB VAL A 123 7.932 -2.121 -16.397 1.00 0.00 C ATOM 1859 CG1 VAL A 123 7.616 -0.900 -15.542 1.00 0.00 C ATOM 1860 CG2 VAL A 123 9.394 -2.505 -16.120 1.00 0.00 C ATOM 0 H VAL A 123 7.934 -4.043 -17.883 1.00 0.00 H new ATOM 0 HA VAL A 123 7.219 -3.776 -15.198 1.00 0.00 H new ATOM 0 HB VAL A 123 7.777 -1.859 -17.443 1.00 0.00 H new ATOM 0 HG11 VAL A 123 8.323 -0.103 -15.771 1.00 0.00 H new ATOM 0 HG12 VAL A 123 6.603 -0.559 -15.755 1.00 0.00 H new ATOM 0 HG13 VAL A 123 7.695 -1.164 -14.487 1.00 0.00 H new ATOM 0 HG21 VAL A 123 10.037 -1.643 -16.297 1.00 0.00 H new ATOM 0 HG22 VAL A 123 9.496 -2.826 -15.083 1.00 0.00 H new ATOM 0 HG23 VAL A 123 9.688 -3.319 -16.783 1.00 0.00 H new ATOM 1870 N GLU A 124 4.878 -2.526 -17.197 1.00 0.00 N ATOM 1871 CA GLU A 124 3.512 -2.009 -17.198 1.00 0.00 C ATOM 1872 C GLU A 124 2.523 -3.011 -16.600 1.00 0.00 C ATOM 1873 O GLU A 124 1.771 -2.650 -15.697 1.00 0.00 O ATOM 1874 CB GLU A 124 3.111 -1.644 -18.638 1.00 0.00 C ATOM 1875 CG GLU A 124 2.072 -0.533 -18.635 1.00 0.00 C ATOM 1876 CD GLU A 124 1.371 -0.407 -20.003 1.00 0.00 C ATOM 1877 OE1 GLU A 124 2.063 -0.186 -21.027 1.00 0.00 O ATOM 1878 OE2 GLU A 124 0.124 -0.521 -20.059 1.00 0.00 O ATOM 0 H GLU A 124 5.281 -2.619 -18.129 1.00 0.00 H new ATOM 0 HA GLU A 124 3.480 -1.119 -16.570 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.991 -1.326 -19.197 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.711 -2.523 -19.145 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.329 -0.731 -17.862 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.551 0.413 -18.382 1.00 0.00 H new ATOM 1885 N ASN A 125 2.556 -4.278 -17.036 1.00 0.00 N ATOM 1886 CA ASN A 125 1.639 -5.288 -16.491 1.00 0.00 C ATOM 1887 C ASN A 125 2.004 -5.677 -15.045 1.00 0.00 C ATOM 1888 O ASN A 125 1.103 -5.887 -14.235 1.00 0.00 O ATOM 1889 CB ASN A 125 1.478 -6.473 -17.464 1.00 0.00 C ATOM 1890 CG ASN A 125 2.471 -7.601 -17.247 1.00 0.00 C ATOM 1891 OD1 ASN A 125 2.290 -8.469 -16.406 1.00 0.00 O ATOM 1892 ND2 ASN A 125 3.550 -7.622 -17.989 1.00 0.00 N ATOM 0 H ASN A 125 3.196 -4.624 -17.752 1.00 0.00 H new ATOM 0 HA ASN A 125 0.645 -4.850 -16.407 1.00 0.00 H new ATOM 0 HB2 ASN A 125 0.468 -6.871 -17.369 1.00 0.00 H new ATOM 0 HB3 ASN A 125 1.581 -6.106 -18.485 1.00 0.00 H new ATOM 0 HD21 ASN A 125 4.240 -8.363 -17.865 1.00 0.00 H new ATOM 0 HD22 ASN A 125 3.701 -6.897 -18.691 1.00 0.00 H new ATOM 1899 N LEU A 126 3.298 -5.664 -14.688 1.00 0.00 N ATOM 1900 CA LEU A 126 3.768 -5.797 -13.305 1.00 0.00 C ATOM 1901 C LEU A 126 3.195 -4.698 -12.417 1.00 0.00 C ATOM 1902 O LEU A 126 2.671 -4.997 -11.350 1.00 0.00 O ATOM 1903 CB LEU A 126 5.310 -5.813 -13.300 1.00 0.00 C ATOM 1904 CG LEU A 126 6.050 -5.944 -11.952 1.00 0.00 C ATOM 1905 CD1 LEU A 126 6.177 -4.634 -11.172 1.00 0.00 C ATOM 1906 CD2 LEU A 126 5.448 -7.004 -11.031 1.00 0.00 C ATOM 0 H LEU A 126 4.055 -5.559 -15.363 1.00 0.00 H new ATOM 0 HA LEU A 126 3.411 -6.738 -12.885 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.633 -6.638 -13.935 1.00 0.00 H new ATOM 0 HB3 LEU A 126 5.651 -4.893 -13.775 1.00 0.00 H new ATOM 0 HG LEU A 126 7.049 -6.257 -12.254 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.709 -4.817 -10.239 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.729 -3.907 -11.768 1.00 0.00 H new ATOM 0 HD13 LEU A 126 5.183 -4.243 -10.953 1.00 0.00 H new ATOM 0 HD21 LEU A 126 6.016 -7.044 -10.102 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.411 -6.749 -10.812 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.487 -7.977 -11.522 1.00 0.00 H new ATOM 1918 N ILE A 127 3.260 -3.436 -12.839 1.00 0.00 N ATOM 1919 CA ILE A 127 2.776 -2.345 -11.983 1.00 0.00 C ATOM 1920 C ILE A 127 1.243 -2.329 -11.940 1.00 0.00 C ATOM 1921 O ILE A 127 0.661 -2.232 -10.861 1.00 0.00 O ATOM 1922 CB ILE A 127 3.404 -1.014 -12.423 1.00 0.00 C ATOM 1923 CG1 ILE A 127 4.929 -1.075 -12.164 1.00 0.00 C ATOM 1924 CG2 ILE A 127 2.790 0.187 -11.678 1.00 0.00 C ATOM 1925 CD1 ILE A 127 5.717 0.071 -12.795 1.00 0.00 C ATOM 0 H ILE A 127 3.632 -3.144 -13.743 1.00 0.00 H new ATOM 0 HA ILE A 127 3.096 -2.509 -10.954 1.00 0.00 H new ATOM 0 HB ILE A 127 3.203 -0.871 -13.485 1.00 0.00 H new ATOM 0 HG12 ILE A 127 5.104 -1.072 -11.088 1.00 0.00 H new ATOM 0 HG13 ILE A 127 5.314 -2.020 -12.547 1.00 0.00 H new ATOM 0 HG21 ILE A 127 3.263 1.108 -12.020 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.720 0.232 -11.880 1.00 0.00 H new ATOM 0 HG23 ILE A 127 2.952 0.072 -10.606 1.00 0.00 H new ATOM 0 HD11 ILE A 127 6.776 -0.047 -12.566 1.00 0.00 H new ATOM 0 HD12 ILE A 127 5.576 0.058 -13.876 1.00 0.00 H new ATOM 0 HD13 ILE A 127 5.362 1.021 -12.394 1.00 0.00 H new ATOM 1937 N ALA A 128 0.577 -2.507 -13.083 1.00 0.00 N ATOM 1938 CA ALA A 128 -0.884 -2.466 -13.168 1.00 0.00 C ATOM 1939 C ALA A 128 -1.583 -3.590 -12.378 1.00 0.00 C ATOM 1940 O ALA A 128 -2.709 -3.399 -11.914 1.00 0.00 O ATOM 1941 CB ALA A 128 -1.278 -2.477 -14.651 1.00 0.00 C ATOM 0 H ALA A 128 1.036 -2.684 -13.976 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.230 -1.548 -12.693 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.364 -2.447 -14.739 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.849 -1.607 -15.148 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.901 -3.385 -15.121 1.00 0.00 H new ATOM 1947 N LYS A 129 -0.918 -4.739 -12.177 1.00 0.00 N ATOM 1948 CA LYS A 129 -1.435 -5.842 -11.341 1.00 0.00 C ATOM 1949 C LYS A 129 -1.187 -5.669 -9.835 1.00 0.00 C ATOM 1950 O LYS A 129 -1.790 -6.410 -9.059 1.00 0.00 O ATOM 1951 CB LYS A 129 -0.972 -7.208 -11.879 1.00 0.00 C ATOM 1952 CG LYS A 129 0.467 -7.606 -11.525 1.00 0.00 C ATOM 1953 CD LYS A 129 0.834 -8.900 -12.260 1.00 0.00 C ATOM 1954 CE LYS A 129 2.250 -9.388 -11.917 1.00 0.00 C ATOM 1955 NZ LYS A 129 2.509 -10.693 -12.592 1.00 0.00 N ATOM 0 H LYS A 129 -0.005 -4.933 -12.589 1.00 0.00 H new ATOM 0 HA LYS A 129 -2.521 -5.804 -11.428 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -1.646 -7.976 -11.499 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -1.072 -7.204 -12.964 1.00 0.00 H new ATOM 0 HG2 LYS A 129 1.156 -6.809 -11.804 1.00 0.00 H new ATOM 0 HG3 LYS A 129 0.562 -7.747 -10.448 1.00 0.00 H new ATOM 0 HD2 LYS A 129 0.113 -9.677 -12.004 1.00 0.00 H new ATOM 0 HD3 LYS A 129 0.759 -8.737 -13.335 1.00 0.00 H new ATOM 0 HE2 LYS A 129 2.986 -8.650 -12.236 1.00 0.00 H new ATOM 0 HE3 LYS A 129 2.356 -9.498 -10.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 3.495 -10.979 -12.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 1.870 -11.417 -12.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 2.343 -10.594 -13.614 1.00 0.00 H new ATOM 1969 N ILE A 130 -0.346 -4.711 -9.413 1.00 0.00 N ATOM 1970 CA ILE A 130 -0.063 -4.456 -7.982 1.00 0.00 C ATOM 1971 C ILE A 130 -0.612 -3.118 -7.454 1.00 0.00 C ATOM 1972 O ILE A 130 -0.922 -3.037 -6.263 1.00 0.00 O ATOM 1973 CB ILE A 130 1.436 -4.638 -7.647 1.00 0.00 C ATOM 1974 CG1 ILE A 130 2.324 -3.531 -8.253 1.00 0.00 C ATOM 1975 CG2 ILE A 130 1.906 -6.043 -8.063 1.00 0.00 C ATOM 1976 CD1 ILE A 130 3.812 -3.622 -7.901 1.00 0.00 C ATOM 0 H ILE A 130 0.158 -4.091 -10.047 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.621 -5.222 -7.444 1.00 0.00 H new ATOM 0 HB ILE A 130 1.544 -4.542 -6.567 1.00 0.00 H new ATOM 0 HG12 ILE A 130 2.221 -3.559 -9.338 1.00 0.00 H new ATOM 0 HG13 ILE A 130 1.947 -2.563 -7.922 1.00 0.00 H new ATOM 0 HG21 ILE A 130 2.963 -6.159 -7.822 1.00 0.00 H new ATOM 0 HG22 ILE A 130 1.327 -6.794 -7.526 1.00 0.00 H new ATOM 0 HG23 ILE A 130 1.762 -6.172 -9.136 1.00 0.00 H new ATOM 0 HD11 ILE A 130 4.349 -2.800 -8.375 1.00 0.00 H new ATOM 0 HD12 ILE A 130 3.935 -3.560 -6.820 1.00 0.00 H new ATOM 0 HD13 ILE A 130 4.213 -4.571 -8.258 1.00 0.00 H new ATOM 1988 N SER A 131 -0.747 -2.097 -8.313 1.00 0.00 N ATOM 1989 CA SER A 131 -1.219 -0.742 -7.970 1.00 0.00 C ATOM 1990 C SER A 131 -2.211 -0.194 -9.010 1.00 0.00 C ATOM 1991 O SER A 131 -1.799 0.526 -9.953 1.00 0.00 O ATOM 1992 CB SER A 131 -0.032 0.201 -7.794 1.00 0.00 C ATOM 1993 OG SER A 131 0.661 -0.117 -6.592 1.00 0.00 O ATOM 1994 OXT SER A 131 -3.421 -0.474 -8.862 1.00 0.00 O ATOM 0 H SER A 131 -0.523 -2.193 -9.303 1.00 0.00 H new ATOM 0 HA SER A 131 -1.758 -0.808 -7.025 1.00 0.00 H new ATOM 0 HB2 SER A 131 0.642 0.116 -8.647 1.00 0.00 H new ATOM 0 HB3 SER A 131 -0.378 1.234 -7.763 1.00 0.00 H new ATOM 0 HG SER A 131 1.237 0.634 -6.338 1.00 0.00 H new TER 2000 SER A 131