USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 0 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: B 57 ASN : amide:sc= -20.4! C(o=-34!,f=-34!) USER MOD Set 1.2: B 69 THR OG1 : rot -71:sc= -13.4! USER MOD Set 2.1: A 14 HIS : no HE2:sc= -6.95! C(o=-5.9!,f=-8.8!) USER MOD Set 2.2: B 36 SER OG : rot -89:sc= 1.08 USER MOD Single : A 1 GLN : amide:sc= -0.678 K(o=-0.68,f=-3.8!) USER MOD Single : A 1 GLN N :NH3+ -117:sc= -1.43 (180deg=-4.33!) USER MOD Single : A 3 GLN : amide:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN :FLIP amide:sc= -1.34! C(o=-2.4!,f=-1.3!) USER MOD Single : A 10 GLN : amide:sc= -0.209 K(o=-0.21,f=-2.6!) USER MOD Single : A 11 GLN : amide:sc= -0.176 K(o=-0.18,f=-1.2!) USER MOD Single : A 13 GLN : amide:sc= -0.837 X(o=-0.84,f=-0.34) USER MOD Single : A 19 GLN : amide:sc= -2.18 K(o=-2.2,f=-6.2!) USER MOD Single : A 20 GLN : amide:sc= -0.326 K(o=-0.33,f=-2.3!) USER MOD Single : A 24 GLN : amide:sc= -0.283 K(o=-0.28,f=-2.8!) USER MOD Single : A 25 GLN : amide:sc= -7.62! C(o=-7.6!,f=-7.2!) USER MOD Single : B 13 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : B 16 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : B 19 TYR OH : rot 85:sc= -3.55! USER MOD Single : B 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 23 GLN : amide:sc= -0.0261 X(o=-0.026,f=-0.16) USER MOD Single : B 29 THR OG1 : rot -109:sc= 0.152 USER MOD Single : B 31 LYS NZ :NH3+ 167:sc= 0.0993 (180deg=0.0628) USER MOD Single : B 32 GLN :FLIP amide:sc= -1.91 F(o=-5.2!,f=-1.9) USER MOD Single : B 35 LYS NZ :NH3+ 161:sc=-0.00571 (180deg=-0.526) USER MOD Single : B 40 GLN : amide:sc=-0.00872 X(o=-0.0087,f=-0.0032) USER MOD Single : B 42 GLN : amide:sc= -0.0944 X(o=-0.094,f=0) USER MOD Single : B 43 HIS : no HD1:sc= 0.238 K(o=0.24,f=-3.7!) USER MOD Single : B 47 GLN : amide:sc= -0.344 K(o=-0.34,f=-1.4) USER MOD Single : B 48 SER OG : rot -95:sc= 1.89 USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 52 TYR OH : rot 165:sc= -2.89! USER MOD Single : B 53 GLN : amide:sc= -0.454 X(o=-0.45,f=-0.17) USER MOD Single : B 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 ASN : amide:sc= -2.18! C(o=-2.2!,f=-3.4!) USER MOD Single : B 63 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.011) USER MOD Single : B 64 MET CE :methyl -143:sc= -1.06 (180deg=-3.74!) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 7.653 4.115 14.278 1.00 0.00 N ATOM 2 CA GLN A 1 8.505 3.837 13.135 1.00 0.00 C ATOM 3 C GLN A 1 9.063 2.416 13.220 1.00 0.00 C ATOM 4 O GLN A 1 10.271 2.225 13.353 1.00 0.00 O ATOM 5 CB GLN A 1 9.635 4.865 13.032 1.00 0.00 C ATOM 6 CG GLN A 1 10.188 4.929 11.607 1.00 0.00 C ATOM 7 CD GLN A 1 9.267 5.745 10.697 1.00 0.00 C ATOM 8 OE1 GLN A 1 8.095 5.449 10.532 1.00 0.00 O ATOM 9 NE2 GLN A 1 9.860 6.784 10.119 1.00 0.00 N ATOM 0 H1 GLN A 1 6.682 4.293 13.952 1.00 0.00 H new ATOM 0 H2 GLN A 1 7.658 3.298 14.922 1.00 0.00 H new ATOM 0 H3 GLN A 1 8.009 4.953 14.780 1.00 0.00 H new ATOM 0 HA GLN A 1 7.902 3.915 12.230 1.00 0.00 H new ATOM 0 HB2 GLN A 1 9.266 5.847 13.327 1.00 0.00 H new ATOM 0 HB3 GLN A 1 10.434 4.603 13.725 1.00 0.00 H new ATOM 0 HG2 GLN A 1 11.182 5.376 11.619 1.00 0.00 H new ATOM 0 HG3 GLN A 1 10.297 3.920 11.210 1.00 0.00 H new ATOM 0 HE21 GLN A 1 10.845 6.975 10.301 1.00 0.00 H new ATOM 0 HE22 GLN A 1 9.330 7.391 9.493 1.00 0.00 H new ATOM 10 N PRO A 2 8.132 1.427 13.138 1.00 0.00 N ATOM 11 CA PRO A 2 8.517 0.028 13.204 1.00 0.00 C ATOM 12 C PRO A 2 9.165 -0.425 11.894 1.00 0.00 C ATOM 13 O PRO A 2 8.611 -0.212 10.817 1.00 0.00 O ATOM 14 CB PRO A 2 7.233 -0.720 13.522 1.00 0.00 C ATOM 15 CG PRO A 2 6.099 0.228 13.164 1.00 0.00 C ATOM 16 CD PRO A 2 6.693 1.616 12.980 1.00 0.00 C ATOM 0 HA PRO A 2 9.272 -0.164 13.966 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.166 -1.644 12.947 1.00 0.00 H new ATOM 0 HB3 PRO A 2 7.193 -0.997 14.575 1.00 0.00 H new ATOM 0 HG2 PRO A 2 5.602 -0.099 12.251 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.345 0.236 13.951 1.00 0.00 H new ATOM 0 HD2 PRO A 2 6.452 2.023 11.998 1.00 0.00 H new ATOM 0 HD3 PRO A 2 6.302 2.315 13.719 1.00 0.00 H new ATOM 17 N GLN A 3 10.330 -1.042 12.030 1.00 0.00 N ATOM 18 CA GLN A 3 11.058 -1.527 10.870 1.00 0.00 C ATOM 19 C GLN A 3 10.314 -2.699 10.227 1.00 0.00 C ATOM 20 O GLN A 3 10.244 -2.798 9.003 1.00 0.00 O ATOM 21 CB GLN A 3 12.487 -1.926 11.247 1.00 0.00 C ATOM 22 CG GLN A 3 13.491 -1.408 10.216 1.00 0.00 C ATOM 23 CD GLN A 3 14.758 -0.887 10.897 1.00 0.00 C ATOM 24 OE1 GLN A 3 15.531 -1.630 11.480 1.00 0.00 O ATOM 25 NE2 GLN A 3 14.928 0.428 10.792 1.00 0.00 N ATOM 0 H GLN A 3 10.787 -1.217 12.925 1.00 0.00 H new ATOM 0 HA GLN A 3 11.121 -0.719 10.142 1.00 0.00 H new ATOM 0 HB2 GLN A 3 12.732 -1.527 12.231 1.00 0.00 H new ATOM 0 HB3 GLN A 3 12.559 -3.011 11.316 1.00 0.00 H new ATOM 0 HG2 GLN A 3 13.750 -2.207 9.522 1.00 0.00 H new ATOM 0 HG3 GLN A 3 13.036 -0.611 9.629 1.00 0.00 H new ATOM 0 HE21 GLN A 3 14.243 0.992 10.290 1.00 0.00 H new ATOM 0 HE22 GLN A 3 15.744 0.872 11.214 1.00 0.00 H new ATOM 26 N LYS A 4 9.778 -3.558 11.081 1.00 0.00 N ATOM 27 CA LYS A 4 9.041 -4.719 10.612 1.00 0.00 C ATOM 28 C LYS A 4 8.131 -4.306 9.454 1.00 0.00 C ATOM 29 O LYS A 4 7.997 -5.037 8.473 1.00 0.00 O ATOM 30 CB LYS A 4 8.298 -5.386 11.771 1.00 0.00 C ATOM 31 CG LYS A 4 9.177 -6.435 12.454 1.00 0.00 C ATOM 32 CD LYS A 4 8.720 -7.852 12.097 1.00 0.00 C ATOM 33 CE LYS A 4 8.937 -8.810 13.270 1.00 0.00 C ATOM 34 NZ LYS A 4 8.727 -10.210 12.840 1.00 0.00 N ATOM 0 H LYS A 4 9.839 -3.473 12.096 1.00 0.00 H new ATOM 0 HA LYS A 4 9.725 -5.475 10.226 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.996 -4.631 12.497 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.386 -5.855 11.401 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.215 -6.297 12.152 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.139 -6.298 13.535 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.665 -7.840 11.823 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.271 -8.207 11.226 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.947 -8.691 13.662 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.250 -8.565 14.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.878 -10.848 13.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.755 -10.323 12.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.400 -10.445 12.083 1.00 0.00 H new ATOM 35 N CYS A 5 7.527 -3.137 9.606 1.00 0.00 N ATOM 36 CA CYS A 5 6.632 -2.617 8.585 1.00 0.00 C ATOM 37 C CYS A 5 7.408 -2.524 7.270 1.00 0.00 C ATOM 38 O CYS A 5 7.139 -3.271 6.332 1.00 0.00 O ATOM 39 CB CYS A 5 6.032 -1.271 8.992 1.00 0.00 C ATOM 40 SG CYS A 5 4.254 -1.323 9.427 1.00 0.00 S ATOM 0 H CYS A 5 7.640 -2.534 10.421 1.00 0.00 H new ATOM 0 HA CYS A 5 5.786 -3.293 8.459 1.00 0.00 H new ATOM 0 HB2 CYS A 5 6.589 -0.884 9.845 1.00 0.00 H new ATOM 0 HB3 CYS A 5 6.171 -0.565 8.173 1.00 0.00 H new ATOM 41 N GLN A 6 8.355 -1.597 7.243 1.00 0.00 N ATOM 42 CA GLN A 6 9.171 -1.396 6.059 1.00 0.00 C ATOM 43 C GLN A 6 9.663 -2.740 5.517 1.00 0.00 C ATOM 44 O GLN A 6 9.609 -2.985 4.314 1.00 0.00 O ATOM 45 CB GLN A 6 10.347 -0.461 6.355 1.00 0.00 C ATOM 46 CG GLN A 6 10.245 0.116 7.768 1.00 0.00 C ATOM 47 CD GLN A 6 9.102 1.128 7.867 1.00 0.00 C ATOM 48 OE1 GLN A 6 9.180 2.120 6.984 1.00 0.00 O flip ATOM 49 NE2 GLN A 6 8.209 1.016 8.690 1.00 0.00 N flip ATOM 0 H GLN A 6 8.575 -0.977 8.023 1.00 0.00 H new ATOM 0 HA GLN A 6 8.555 -0.922 5.295 1.00 0.00 H new ATOM 0 HB2 GLN A 6 11.285 -1.005 6.247 1.00 0.00 H new ATOM 0 HB3 GLN A 6 10.364 0.350 5.627 1.00 0.00 H new ATOM 0 HG2 GLN A 6 10.084 -0.691 8.483 1.00 0.00 H new ATOM 0 HG3 GLN A 6 11.185 0.597 8.037 1.00 0.00 H new ATOM 0 HE21 GLN A 6 8.210 0.229 9.339 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.462 1.709 8.729 1.00 0.00 H new ATOM 50 N ARG A 7 10.132 -3.574 6.434 1.00 0.00 N ATOM 51 CA ARG A 7 10.633 -4.887 6.063 1.00 0.00 C ATOM 52 C ARG A 7 9.520 -5.718 5.420 1.00 0.00 C ATOM 53 O ARG A 7 9.645 -6.148 4.275 1.00 0.00 O ATOM 54 CB ARG A 7 11.176 -5.633 7.284 1.00 0.00 C ATOM 55 CG ARG A 7 11.862 -6.937 6.868 1.00 0.00 C ATOM 56 CD ARG A 7 13.132 -7.174 7.687 1.00 0.00 C ATOM 57 NE ARG A 7 14.016 -8.132 6.985 1.00 0.00 N ATOM 58 CZ ARG A 7 14.918 -7.780 6.046 1.00 0.00 C ATOM 59 NH1 ARG A 7 15.065 -6.486 5.687 1.00 0.00 N ATOM 60 NH2 ARG A 7 15.656 -8.719 5.484 1.00 0.00 N ATOM 0 H ARG A 7 10.176 -3.366 7.432 1.00 0.00 H new ATOM 0 HA ARG A 7 11.443 -4.744 5.348 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.884 -4.999 7.817 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.361 -5.850 7.974 1.00 0.00 H new ATOM 0 HG2 ARG A 7 11.176 -7.773 7.005 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.111 -6.899 5.807 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.655 -6.231 7.843 1.00 0.00 H new ATOM 0 HD3 ARG A 7 12.872 -7.561 8.672 1.00 0.00 H new ATOM 0 HE ARG A 7 13.938 -9.120 7.227 1.00 0.00 H new ATOM 0 HH11 ARG A 7 14.491 -5.766 6.127 1.00 0.00 H new ATOM 0 HH12 ARG A 7 15.750 -6.229 4.976 1.00 0.00 H new ATOM 0 HH21 ARG A 7 15.539 -9.694 5.762 1.00 0.00 H new ATOM 0 HH22 ARG A 7 16.343 -8.470 4.772 1.00 0.00 H new ATOM 61 N GLU A 8 8.457 -5.917 6.186 1.00 0.00 N ATOM 62 CA GLU A 8 7.323 -6.689 5.705 1.00 0.00 C ATOM 63 C GLU A 8 7.034 -6.352 4.241 1.00 0.00 C ATOM 64 O GLU A 8 6.872 -7.249 3.414 1.00 0.00 O ATOM 65 CB GLU A 8 6.089 -6.450 6.577 1.00 0.00 C ATOM 66 CG GLU A 8 6.276 -7.055 7.969 1.00 0.00 C ATOM 67 CD GLU A 8 5.687 -8.465 8.039 1.00 0.00 C ATOM 68 OE1 GLU A 8 6.121 -9.303 7.219 1.00 0.00 O ATOM 69 OE2 GLU A 8 4.815 -8.674 8.910 1.00 0.00 O ATOM 0 H GLU A 8 8.357 -5.558 7.135 1.00 0.00 H new ATOM 0 HA GLU A 8 7.574 -7.748 5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.903 -5.380 6.664 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.212 -6.889 6.101 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.337 -7.088 8.215 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.796 -6.419 8.713 1.00 0.00 H new ATOM 70 N PHE A 9 6.979 -5.058 3.964 1.00 0.00 N ATOM 71 CA PHE A 9 6.714 -4.592 2.614 1.00 0.00 C ATOM 72 C PHE A 9 7.575 -5.341 1.596 1.00 0.00 C ATOM 73 O PHE A 9 7.051 -6.025 0.718 1.00 0.00 O ATOM 74 CB PHE A 9 7.074 -3.105 2.575 1.00 0.00 C ATOM 75 CG PHE A 9 6.271 -2.296 1.554 1.00 0.00 C ATOM 76 CD1 PHE A 9 4.914 -2.254 1.637 1.00 0.00 C ATOM 77 CD2 PHE A 9 6.913 -1.620 0.565 1.00 0.00 C ATOM 78 CE1 PHE A 9 4.169 -1.504 0.690 1.00 0.00 C ATOM 79 CE2 PHE A 9 6.168 -0.870 -0.382 1.00 0.00 C ATOM 80 CZ PHE A 9 4.811 -0.827 -0.300 1.00 0.00 C ATOM 0 H PHE A 9 7.114 -4.317 4.652 1.00 0.00 H new ATOM 0 HA PHE A 9 5.668 -4.764 2.360 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.917 -2.678 3.566 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.136 -3.005 2.349 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.404 -2.791 2.423 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.991 -1.654 0.500 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.091 -1.471 0.755 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.679 -0.333 -1.168 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.244 -0.256 -1.020 1.00 0.00 H new ATOM 81 N GLN A 10 8.882 -5.185 1.746 1.00 0.00 N ATOM 82 CA GLN A 10 9.822 -5.838 0.850 1.00 0.00 C ATOM 83 C GLN A 10 9.794 -7.353 1.064 1.00 0.00 C ATOM 84 O GLN A 10 9.912 -8.120 0.110 1.00 0.00 O ATOM 85 CB GLN A 10 11.235 -5.284 1.039 1.00 0.00 C ATOM 86 CG GLN A 10 11.962 -5.170 -0.303 1.00 0.00 C ATOM 87 CD GLN A 10 13.454 -5.469 -0.144 1.00 0.00 C ATOM 88 OE1 GLN A 10 13.925 -5.869 0.907 1.00 0.00 O ATOM 89 NE2 GLN A 10 14.169 -5.253 -1.245 1.00 0.00 N ATOM 0 H GLN A 10 9.313 -4.616 2.475 1.00 0.00 H new ATOM 0 HA GLN A 10 9.520 -5.630 -0.176 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.185 -4.304 1.514 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.798 -5.935 1.708 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.522 -5.864 -1.019 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.829 -4.167 -0.709 1.00 0.00 H new ATOM 0 HE21 GLN A 10 13.711 -4.917 -2.093 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.175 -5.423 -1.242 1.00 0.00 H new ATOM 90 N GLN A 11 9.636 -7.737 2.323 1.00 0.00 N ATOM 91 CA GLN A 11 9.592 -9.147 2.674 1.00 0.00 C ATOM 92 C GLN A 11 8.867 -9.942 1.586 1.00 0.00 C ATOM 93 O GLN A 11 9.263 -11.061 1.261 1.00 0.00 O ATOM 94 CB GLN A 11 8.927 -9.351 4.036 1.00 0.00 C ATOM 95 CG GLN A 11 9.838 -10.141 4.978 1.00 0.00 C ATOM 96 CD GLN A 11 9.471 -11.627 4.979 1.00 0.00 C ATOM 97 OE1 GLN A 11 8.317 -12.007 4.863 1.00 0.00 O ATOM 98 NE2 GLN A 11 10.512 -12.441 5.116 1.00 0.00 N ATOM 0 H GLN A 11 9.537 -7.097 3.111 1.00 0.00 H new ATOM 0 HA GLN A 11 10.615 -9.516 2.746 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.692 -8.383 4.479 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.983 -9.881 3.908 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.877 -10.020 4.671 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.755 -9.742 5.989 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.452 -12.056 5.208 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.371 -13.451 5.129 1.00 0.00 H new ATOM 99 N GLU A 12 7.818 -9.334 1.052 1.00 0.00 N ATOM 100 CA GLU A 12 7.034 -9.972 0.008 1.00 0.00 C ATOM 101 C GLU A 12 7.661 -9.706 -1.363 1.00 0.00 C ATOM 102 O GLU A 12 8.535 -10.449 -1.805 1.00 0.00 O ATOM 103 CB GLU A 12 5.580 -9.499 0.047 1.00 0.00 C ATOM 104 CG GLU A 12 4.731 -10.408 0.938 1.00 0.00 C ATOM 105 CD GLU A 12 3.687 -11.164 0.114 1.00 0.00 C ATOM 106 OE1 GLU A 12 4.053 -12.228 -0.428 1.00 0.00 O ATOM 107 OE2 GLU A 12 2.545 -10.659 0.045 1.00 0.00 O ATOM 0 H GLU A 12 7.493 -8.406 1.323 1.00 0.00 H new ATOM 0 HA GLU A 12 7.036 -11.048 0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.537 -8.476 0.419 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.170 -9.488 -0.963 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.374 -11.119 1.456 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.234 -9.812 1.703 1.00 0.00 H new ATOM 108 N GLN A 13 7.188 -8.643 -1.997 1.00 0.00 N ATOM 109 CA GLN A 13 7.691 -8.270 -3.309 1.00 0.00 C ATOM 110 C GLN A 13 6.926 -7.058 -3.846 1.00 0.00 C ATOM 111 O GLN A 13 6.229 -7.157 -4.854 1.00 0.00 O ATOM 112 CB GLN A 13 7.608 -9.446 -4.283 1.00 0.00 C ATOM 113 CG GLN A 13 8.979 -10.099 -4.474 1.00 0.00 C ATOM 114 CD GLN A 13 8.871 -11.624 -4.431 1.00 0.00 C ATOM 115 OE1 GLN A 13 9.705 -12.316 -3.870 1.00 0.00 O ATOM 116 NE2 GLN A 13 7.801 -12.108 -5.055 1.00 0.00 N ATOM 0 H GLN A 13 6.463 -8.029 -1.627 1.00 0.00 H new ATOM 0 HA GLN A 13 8.742 -7.997 -3.209 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.899 -10.184 -3.908 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.229 -9.100 -5.245 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.404 -9.788 -5.428 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.660 -9.757 -3.695 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.142 -11.473 -5.505 1.00 0.00 H new ATOM 0 HE22 GLN A 13 7.639 -13.115 -5.084 1.00 0.00 H new ATOM 117 N HIS A 14 7.082 -5.943 -3.148 1.00 0.00 N ATOM 118 CA HIS A 14 6.414 -4.714 -3.541 1.00 0.00 C ATOM 119 C HIS A 14 5.556 -4.971 -4.782 1.00 0.00 C ATOM 120 O HIS A 14 6.041 -4.872 -5.907 1.00 0.00 O ATOM 121 CB HIS A 14 7.428 -3.586 -3.745 1.00 0.00 C ATOM 122 CG HIS A 14 8.341 -3.360 -2.563 1.00 0.00 C ATOM 123 ND1 HIS A 14 9.375 -2.440 -2.580 1.00 0.00 N ATOM 124 CD2 HIS A 14 8.364 -3.943 -1.330 1.00 0.00 C ATOM 125 CE1 HIS A 14 9.986 -2.476 -1.405 1.00 0.00 C ATOM 126 NE2 HIS A 14 9.359 -3.409 -0.633 1.00 0.00 N ATOM 0 H HIS A 14 7.662 -5.865 -2.312 1.00 0.00 H new ATOM 0 HA HIS A 14 5.748 -4.386 -2.743 1.00 0.00 H new ATOM 0 HB2 HIS A 14 8.035 -3.811 -4.622 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.890 -2.662 -3.958 1.00 0.00 H new ATOM 0 HD1 HIS A 14 9.624 -1.837 -3.364 1.00 0.00 H new ATOM 0 HD2 HIS A 14 7.688 -4.709 -0.980 1.00 0.00 H new ATOM 0 HE1 HIS A 14 10.832 -1.873 -1.110 1.00 0.00 H new ATOM 127 N LEU A 15 4.296 -5.295 -4.533 1.00 0.00 N ATOM 128 CA LEU A 15 3.365 -5.567 -5.615 1.00 0.00 C ATOM 129 C LEU A 15 3.537 -4.509 -6.706 1.00 0.00 C ATOM 130 O LEU A 15 4.104 -3.446 -6.462 1.00 0.00 O ATOM 131 CB LEU A 15 1.936 -5.672 -5.079 1.00 0.00 C ATOM 132 CG LEU A 15 1.675 -5.001 -3.729 1.00 0.00 C ATOM 133 CD1 LEU A 15 2.162 -5.881 -2.576 1.00 0.00 C ATOM 134 CD2 LEU A 15 2.294 -3.603 -3.683 1.00 0.00 C ATOM 0 H LEU A 15 3.898 -5.375 -3.597 1.00 0.00 H new ATOM 0 HA LEU A 15 3.581 -6.534 -6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.260 -5.237 -5.815 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.678 -6.728 -4.994 1.00 0.00 H new ATOM 0 HG LEU A 15 0.598 -4.881 -3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.965 -5.381 -1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.636 -6.835 -2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.233 -6.055 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.094 -3.148 -2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.371 -3.677 -3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.859 -2.986 -4.469 1.00 0.00 H new ATOM 135 N ARG A 16 3.035 -4.838 -7.888 1.00 0.00 N ATOM 136 CA ARG A 16 3.127 -3.930 -9.018 1.00 0.00 C ATOM 137 C ARG A 16 1.744 -3.371 -9.363 1.00 0.00 C ATOM 138 O ARG A 16 1.598 -2.176 -9.612 1.00 0.00 O ATOM 139 CB ARG A 16 3.705 -4.634 -10.247 1.00 0.00 C ATOM 140 CG ARG A 16 5.226 -4.766 -10.137 1.00 0.00 C ATOM 141 CD ARG A 16 5.868 -4.880 -11.523 1.00 0.00 C ATOM 142 NE ARG A 16 5.663 -6.242 -12.064 1.00 0.00 N ATOM 143 CZ ARG A 16 6.149 -6.663 -13.240 1.00 0.00 C ATOM 144 NH1 ARG A 16 6.871 -5.831 -14.003 1.00 0.00 N ATOM 145 NH2 ARG A 16 5.914 -7.916 -13.652 1.00 0.00 N ATOM 0 H ARG A 16 2.564 -5.720 -8.087 1.00 0.00 H new ATOM 0 HA ARG A 16 3.793 -3.115 -8.734 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.257 -5.622 -10.349 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.449 -4.073 -11.146 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.633 -3.901 -9.614 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.476 -5.645 -9.543 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.432 -4.142 -12.197 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.934 -4.662 -11.458 1.00 0.00 H new ATOM 0 HE ARG A 16 5.118 -6.901 -11.508 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.051 -4.877 -13.689 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.241 -6.151 -14.898 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.365 -8.550 -13.071 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.284 -8.236 -14.547 1.00 0.00 H new ATOM 146 N ALA A 17 0.766 -4.264 -9.368 1.00 0.00 N ATOM 147 CA ALA A 17 -0.600 -3.876 -9.679 1.00 0.00 C ATOM 148 C ALA A 17 -0.888 -2.505 -9.063 1.00 0.00 C ATOM 149 O ALA A 17 -1.593 -1.691 -9.656 1.00 0.00 O ATOM 150 CB ALA A 17 -1.564 -4.954 -9.178 1.00 0.00 C ATOM 0 H ALA A 17 0.892 -5.255 -9.162 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.739 -3.790 -10.757 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.588 -4.663 -9.411 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.336 -5.901 -9.666 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.455 -5.066 -8.099 1.00 0.00 H new ATOM 151 N CYS A 18 -0.328 -2.294 -7.880 1.00 0.00 N ATOM 152 CA CYS A 18 -0.517 -1.036 -7.178 1.00 0.00 C ATOM 153 C CYS A 18 0.506 -0.031 -7.710 1.00 0.00 C ATOM 154 O CYS A 18 0.195 1.148 -7.879 1.00 0.00 O ATOM 155 CB CYS A 18 -0.409 -1.213 -5.662 1.00 0.00 C ATOM 156 SG CYS A 18 -1.724 -2.241 -4.913 1.00 0.00 S ATOM 0 H CYS A 18 0.256 -2.972 -7.391 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.523 -0.660 -7.363 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.558 -1.660 -5.431 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.426 -0.229 -5.193 1.00 0.00 H new ATOM 157 N GLN A 19 1.707 -0.533 -7.959 1.00 0.00 N ATOM 158 CA GLN A 19 2.778 0.306 -8.468 1.00 0.00 C ATOM 159 C GLN A 19 2.219 1.351 -9.436 1.00 0.00 C ATOM 160 O GLN A 19 2.682 2.491 -9.458 1.00 0.00 O ATOM 161 CB GLN A 19 3.863 -0.537 -9.139 1.00 0.00 C ATOM 162 CG GLN A 19 3.675 -0.566 -10.658 1.00 0.00 C ATOM 163 CD GLN A 19 4.856 -1.254 -11.344 1.00 0.00 C ATOM 164 OE1 GLN A 19 5.561 -2.063 -10.762 1.00 0.00 O ATOM 165 NE2 GLN A 19 5.034 -0.888 -12.611 1.00 0.00 N ATOM 0 H GLN A 19 1.962 -1.511 -7.818 1.00 0.00 H new ATOM 0 HA GLN A 19 3.236 0.826 -7.627 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.845 -0.130 -8.898 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.834 -1.553 -8.746 1.00 0.00 H new ATOM 0 HG2 GLN A 19 2.752 -1.090 -10.904 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.574 0.452 -11.035 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.407 -0.206 -13.038 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.797 -1.290 -13.156 1.00 0.00 H new ATOM 166 N GLN A 20 1.232 0.926 -10.211 1.00 0.00 N ATOM 167 CA GLN A 20 0.605 1.812 -11.177 1.00 0.00 C ATOM 168 C GLN A 20 0.395 3.200 -10.568 1.00 0.00 C ATOM 169 O GLN A 20 0.819 4.203 -11.140 1.00 0.00 O ATOM 170 CB GLN A 20 -0.716 1.228 -11.679 1.00 0.00 C ATOM 171 CG GLN A 20 -0.491 -0.107 -12.391 1.00 0.00 C ATOM 172 CD GLN A 20 -0.822 0.003 -13.882 1.00 0.00 C ATOM 173 OE1 GLN A 20 -1.506 0.910 -14.325 1.00 0.00 O ATOM 174 NE2 GLN A 20 -0.300 -0.968 -14.625 1.00 0.00 N ATOM 0 H GLN A 20 0.851 -0.020 -10.190 1.00 0.00 H new ATOM 0 HA GLN A 20 1.270 1.911 -12.035 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.397 1.086 -10.840 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.193 1.932 -12.361 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.546 -0.419 -12.267 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.112 -0.877 -11.933 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.264 -1.697 -14.188 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.463 -0.984 -15.632 1.00 0.00 H new ATOM 175 N TRP A 21 -0.260 3.212 -9.416 1.00 0.00 N ATOM 176 CA TRP A 21 -0.530 4.460 -8.724 1.00 0.00 C ATOM 177 C TRP A 21 0.728 4.853 -7.948 1.00 0.00 C ATOM 178 O TRP A 21 1.206 5.981 -8.063 1.00 0.00 O ATOM 179 CB TRP A 21 -1.768 4.335 -7.832 1.00 0.00 C ATOM 180 CG TRP A 21 -1.639 5.049 -6.485 1.00 0.00 C ATOM 181 CD1 TRP A 21 -1.901 6.333 -6.205 1.00 0.00 C ATOM 182 CD2 TRP A 21 -1.205 4.464 -5.240 1.00 0.00 C ATOM 183 NE1 TRP A 21 -1.667 6.617 -4.874 1.00 0.00 N ATOM 184 CE2 TRP A 21 -1.230 5.444 -4.269 1.00 0.00 C ATOM 185 CE3 TRP A 21 -0.803 3.149 -4.943 1.00 0.00 C ATOM 186 CZ2 TRP A 21 -0.867 5.215 -2.936 1.00 0.00 C ATOM 187 CZ3 TRP A 21 -0.442 2.936 -3.608 1.00 0.00 C ATOM 188 CH2 TRP A 21 -0.463 3.912 -2.618 1.00 0.00 C ATOM 0 H TRP A 21 -0.611 2.378 -8.945 1.00 0.00 H new ATOM 0 HA TRP A 21 -0.762 5.253 -9.435 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -2.629 4.739 -8.365 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -1.970 3.279 -7.654 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -2.251 7.054 -6.929 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -1.792 7.521 -4.419 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -0.775 2.366 -5.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -0.897 5.999 -2.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -0.124 1.943 -3.327 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -0.169 3.667 -1.608 1.00 0.00 H new ATOM 189 N ILE A 22 1.229 3.902 -7.174 1.00 0.00 N ATOM 190 CA ILE A 22 2.423 4.136 -6.379 1.00 0.00 C ATOM 191 C ILE A 22 3.374 5.051 -7.153 1.00 0.00 C ATOM 192 O ILE A 22 3.896 6.018 -6.601 1.00 0.00 O ATOM 193 CB ILE A 22 3.055 2.807 -5.959 1.00 0.00 C ATOM 194 CG1 ILE A 22 1.985 1.812 -5.504 1.00 0.00 C ATOM 195 CG2 ILE A 22 4.128 3.024 -4.890 1.00 0.00 C ATOM 196 CD1 ILE A 22 2.574 0.408 -5.347 1.00 0.00 C ATOM 0 H ILE A 22 0.830 2.968 -7.080 1.00 0.00 H new ATOM 0 HA ILE A 22 2.169 4.650 -5.452 1.00 0.00 H new ATOM 0 HB ILE A 22 3.550 2.373 -6.828 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.558 2.139 -4.556 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.172 1.790 -6.229 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.561 2.064 -4.609 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.909 3.673 -5.285 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.679 3.490 -4.013 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.793 -0.280 -5.023 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.978 0.074 -6.303 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.371 0.429 -4.603 1.00 0.00 H new ATOM 197 N ARG A 23 3.571 4.713 -8.418 1.00 0.00 N ATOM 198 CA ARG A 23 4.451 5.493 -9.273 1.00 0.00 C ATOM 199 C ARG A 23 3.713 6.719 -9.816 1.00 0.00 C ATOM 200 O ARG A 23 4.155 7.850 -9.622 1.00 0.00 O ATOM 201 CB ARG A 23 4.965 4.655 -10.445 1.00 0.00 C ATOM 202 CG ARG A 23 5.313 5.542 -11.642 1.00 0.00 C ATOM 203 CD ARG A 23 5.943 4.720 -12.768 1.00 0.00 C ATOM 204 NE ARG A 23 5.281 5.034 -14.055 1.00 0.00 N ATOM 205 CZ ARG A 23 5.611 4.472 -15.226 1.00 0.00 C ATOM 206 NH1 ARG A 23 6.596 3.566 -15.280 1.00 0.00 N ATOM 207 NH2 ARG A 23 4.956 4.818 -16.343 1.00 0.00 N ATOM 0 H ARG A 23 3.137 3.910 -8.872 1.00 0.00 H new ATOM 0 HA ARG A 23 5.301 5.813 -8.670 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.846 4.093 -10.136 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.208 3.927 -10.735 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.413 6.036 -12.007 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.002 6.326 -11.330 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.009 4.937 -12.835 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.847 3.656 -12.550 1.00 0.00 H new ATOM 0 HE ARG A 23 4.527 5.721 -14.050 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.095 3.304 -14.430 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.847 3.138 -16.171 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.207 5.509 -16.302 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.207 4.391 -17.234 1.00 0.00 H new ATOM 208 N GLN A 24 2.602 6.452 -10.486 1.00 0.00 N ATOM 209 CA GLN A 24 1.799 7.518 -11.059 1.00 0.00 C ATOM 210 C GLN A 24 1.617 8.650 -10.044 1.00 0.00 C ATOM 211 O GLN A 24 1.663 9.825 -10.404 1.00 0.00 O ATOM 212 CB GLN A 24 0.446 6.989 -11.538 1.00 0.00 C ATOM 213 CG GLN A 24 -0.399 8.112 -12.144 1.00 0.00 C ATOM 214 CD GLN A 24 -1.504 8.549 -11.180 1.00 0.00 C ATOM 215 OE1 GLN A 24 -1.637 8.043 -10.078 1.00 0.00 O ATOM 216 NE2 GLN A 24 -2.286 9.513 -11.655 1.00 0.00 N ATOM 0 H GLN A 24 2.239 5.512 -10.645 1.00 0.00 H new ATOM 0 HA GLN A 24 2.325 7.915 -11.927 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.600 6.205 -12.279 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.088 6.537 -10.702 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.238 8.964 -12.382 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.842 7.774 -13.081 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.119 9.892 -12.587 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.053 9.873 -11.088 1.00 0.00 H new ATOM 217 N GLN A 25 1.415 8.255 -8.796 1.00 0.00 N ATOM 218 CA GLN A 25 1.226 9.220 -7.727 1.00 0.00 C ATOM 219 C GLN A 25 2.174 10.408 -7.911 1.00 0.00 C ATOM 220 O GLN A 25 1.746 11.560 -7.870 1.00 0.00 O ATOM 221 CB GLN A 25 1.424 8.568 -6.357 1.00 0.00 C ATOM 222 CG GLN A 25 0.366 9.049 -5.363 1.00 0.00 C ATOM 223 CD GLN A 25 0.142 10.558 -5.488 1.00 0.00 C ATOM 224 OE1 GLN A 25 -0.968 11.035 -5.654 1.00 0.00 O ATOM 225 NE2 GLN A 25 1.256 11.279 -5.398 1.00 0.00 N ATOM 0 H GLN A 25 1.378 7.279 -8.501 1.00 0.00 H new ATOM 0 HA GLN A 25 0.201 9.587 -7.773 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.370 7.484 -6.455 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.418 8.804 -5.978 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.572 8.523 -5.541 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.679 8.807 -4.347 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.154 10.815 -5.259 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.213 12.296 -5.468 1.00 0.00 H new ATOM 226 N LEU A 26 3.444 10.086 -8.110 1.00 0.00 N ATOM 227 CA LEU A 26 4.455 11.111 -8.301 1.00 0.00 C ATOM 228 C LEU A 26 3.915 12.184 -9.249 1.00 0.00 C ATOM 229 O LEU A 26 4.019 13.376 -8.966 1.00 0.00 O ATOM 230 CB LEU A 26 5.772 10.485 -8.767 1.00 0.00 C ATOM 231 CG LEU A 26 6.485 9.592 -7.750 1.00 0.00 C ATOM 232 CD1 LEU A 26 7.951 9.385 -8.137 1.00 0.00 C ATOM 233 CD2 LEU A 26 6.340 10.149 -6.333 1.00 0.00 C ATOM 0 H LEU A 26 3.796 9.129 -8.143 1.00 0.00 H new ATOM 0 HA LEU A 26 4.680 11.604 -7.355 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.575 9.896 -9.663 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.451 11.287 -9.056 1.00 0.00 H new ATOM 0 HG LEU A 26 6.006 8.613 -7.761 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.436 8.747 -7.398 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.005 8.911 -9.117 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.458 10.349 -8.172 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.856 9.495 -5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.777 11.147 -6.288 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.284 10.203 -6.070 1.00 0.00 H new ATOM 234 N ALA A 27 3.350 11.722 -10.354 1.00 0.00 N ATOM 235 CA ALA A 27 2.793 12.627 -11.345 1.00 0.00 C ATOM 236 C ALA A 27 2.063 11.815 -12.417 1.00 0.00 C ATOM 237 O ALA A 27 2.359 10.640 -12.621 1.00 0.00 O ATOM 238 CB ALA A 27 3.911 13.493 -11.930 1.00 0.00 C ATOM 0 H ALA A 27 3.266 10.732 -10.585 1.00 0.00 H new ATOM 0 HA ALA A 27 2.066 13.298 -10.887 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.494 14.172 -12.674 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.379 14.071 -11.133 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.658 12.854 -12.401 1.00 0.00 H new ATOM 323 N TRP B 9 -9.797 -10.501 -9.241 1.00 0.00 N ATOM 324 CA TRP B 9 -9.217 -9.507 -10.127 1.00 0.00 C ATOM 325 C TRP B 9 -7.808 -9.188 -9.622 1.00 0.00 C ATOM 326 O TRP B 9 -7.388 -9.694 -8.583 1.00 0.00 O ATOM 327 CB TRP B 9 -10.111 -8.268 -10.223 1.00 0.00 C ATOM 328 CG TRP B 9 -10.334 -7.772 -11.652 1.00 0.00 C ATOM 329 CD1 TRP B 9 -9.712 -6.766 -12.283 1.00 0.00 C ATOM 330 CD2 TRP B 9 -11.276 -8.300 -12.610 1.00 0.00 C ATOM 331 NE1 TRP B 9 -10.181 -6.609 -13.571 1.00 0.00 N ATOM 332 CE2 TRP B 9 -11.162 -7.573 -13.776 1.00 0.00 C ATOM 333 CE3 TRP B 9 -12.193 -9.360 -12.494 1.00 0.00 C ATOM 334 CZ2 TRP B 9 -11.936 -7.824 -14.915 1.00 0.00 C ATOM 335 CZ3 TRP B 9 -12.958 -9.599 -13.641 1.00 0.00 C ATOM 336 CH2 TRP B 9 -12.856 -8.875 -14.823 1.00 0.00 C ATOM 0 HA TRP B 9 -9.144 -9.893 -11.144 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -11.078 -8.494 -9.773 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -9.666 -7.465 -9.636 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -8.940 -6.155 -11.839 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -9.866 -5.914 -14.248 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -12.298 -9.943 -11.591 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -11.829 -7.238 -15.816 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -13.679 -10.403 -13.605 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -13.484 -9.122 -15.666 1.00 0.00 H new ATOM 337 N LEU B 10 -7.117 -8.352 -10.383 1.00 0.00 N ATOM 338 CA LEU B 10 -5.763 -7.960 -10.026 1.00 0.00 C ATOM 339 C LEU B 10 -5.818 -6.879 -8.946 1.00 0.00 C ATOM 340 O LEU B 10 -5.024 -6.892 -8.008 1.00 0.00 O ATOM 341 CB LEU B 10 -4.979 -7.546 -11.273 1.00 0.00 C ATOM 342 CG LEU B 10 -4.955 -8.560 -12.418 1.00 0.00 C ATOM 343 CD1 LEU B 10 -5.244 -9.973 -11.906 1.00 0.00 C ATOM 344 CD2 LEU B 10 -5.913 -8.148 -13.536 1.00 0.00 C ATOM 0 H LEU B 10 -7.469 -7.935 -11.245 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.220 -8.805 -9.603 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -5.399 -6.613 -11.649 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -3.951 -7.336 -10.978 1.00 0.00 H new ATOM 0 HG LEU B 10 -3.951 -8.571 -12.843 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -5.221 -10.674 -12.740 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -4.488 -10.256 -11.173 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -6.229 -9.997 -11.439 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -5.876 -8.886 -14.337 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -6.928 -8.090 -13.143 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -5.619 -7.174 -13.926 1.00 0.00 H new ATOM 345 N ARG B 11 -6.764 -5.967 -9.115 1.00 0.00 N ATOM 346 CA ARG B 11 -6.933 -4.880 -8.166 1.00 0.00 C ATOM 347 C ARG B 11 -7.189 -5.434 -6.763 1.00 0.00 C ATOM 348 O ARG B 11 -6.368 -5.260 -5.863 1.00 0.00 O ATOM 349 CB ARG B 11 -8.099 -3.973 -8.568 1.00 0.00 C ATOM 350 CG ARG B 11 -8.083 -3.697 -10.073 1.00 0.00 C ATOM 351 CD ARG B 11 -8.859 -2.419 -10.404 1.00 0.00 C ATOM 352 NE ARG B 11 -9.445 -2.521 -11.759 1.00 0.00 N ATOM 353 CZ ARG B 11 -10.498 -3.307 -12.071 1.00 0.00 C ATOM 354 NH1 ARG B 11 -11.087 -4.070 -11.125 1.00 0.00 N ATOM 355 NH2 ARG B 11 -10.941 -3.321 -13.314 1.00 0.00 N ATOM 0 H ARG B 11 -7.421 -5.959 -9.895 1.00 0.00 H new ATOM 0 HA ARG B 11 -6.014 -4.294 -8.167 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -9.043 -4.443 -8.290 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -8.038 -3.032 -8.021 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -7.053 -3.601 -10.418 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -8.521 -4.541 -10.606 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -9.648 -2.262 -9.668 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -8.195 -1.556 -10.350 1.00 0.00 H new ATOM 0 HE ARG B 11 -9.028 -1.963 -12.504 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -10.737 -4.055 -10.167 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -11.882 -4.661 -11.368 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -10.489 -2.744 -14.023 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -11.735 -3.909 -13.566 1.00 0.00 H new ATOM 356 N GLU B 12 -8.331 -6.090 -6.621 1.00 0.00 N ATOM 357 CA GLU B 12 -8.706 -6.672 -5.343 1.00 0.00 C ATOM 358 C GLU B 12 -7.519 -7.421 -4.732 1.00 0.00 C ATOM 359 O GLU B 12 -7.213 -7.250 -3.553 1.00 0.00 O ATOM 360 CB GLU B 12 -9.917 -7.594 -5.493 1.00 0.00 C ATOM 361 CG GLU B 12 -11.126 -6.828 -6.034 1.00 0.00 C ATOM 362 CD GLU B 12 -11.528 -7.344 -7.417 1.00 0.00 C ATOM 363 OE1 GLU B 12 -11.793 -8.561 -7.514 1.00 0.00 O ATOM 364 OE2 GLU B 12 -11.562 -6.509 -8.347 1.00 0.00 O ATOM 0 H GLU B 12 -9.009 -6.232 -7.370 1.00 0.00 H new ATOM 0 HA GLU B 12 -8.988 -5.864 -4.668 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.672 -8.416 -6.166 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -10.164 -8.036 -4.528 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -11.965 -6.932 -5.345 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -10.891 -5.765 -6.093 1.00 0.00 H new ATOM 365 N GLN B 13 -6.883 -8.234 -5.563 1.00 0.00 N ATOM 366 CA GLN B 13 -5.737 -9.011 -5.119 1.00 0.00 C ATOM 367 C GLN B 13 -4.761 -8.120 -4.348 1.00 0.00 C ATOM 368 O GLN B 13 -4.279 -8.499 -3.281 1.00 0.00 O ATOM 369 CB GLN B 13 -5.044 -9.688 -6.302 1.00 0.00 C ATOM 370 CG GLN B 13 -4.401 -11.010 -5.876 1.00 0.00 C ATOM 371 CD GLN B 13 -4.160 -11.917 -7.084 1.00 0.00 C ATOM 372 OE1 GLN B 13 -3.741 -11.484 -8.145 1.00 0.00 O ATOM 373 NE2 GLN B 13 -4.449 -13.197 -6.866 1.00 0.00 N ATOM 0 H GLN B 13 -7.139 -8.372 -6.541 1.00 0.00 H new ATOM 0 HA GLN B 13 -6.090 -9.796 -4.450 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -5.768 -9.871 -7.096 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -4.282 -9.024 -6.711 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -3.456 -10.812 -5.371 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -5.046 -11.518 -5.159 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -4.796 -13.493 -5.954 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -4.323 -13.882 -7.611 1.00 0.00 H new ATOM 374 N CYS B 14 -4.497 -6.954 -4.917 1.00 0.00 N ATOM 375 CA CYS B 14 -3.587 -6.007 -4.296 1.00 0.00 C ATOM 376 C CYS B 14 -3.981 -5.855 -2.825 1.00 0.00 C ATOM 377 O CYS B 14 -3.141 -5.995 -1.937 1.00 0.00 O ATOM 378 CB CYS B 14 -3.582 -4.662 -5.027 1.00 0.00 C ATOM 379 SG CYS B 14 -1.925 -4.056 -5.509 1.00 0.00 S ATOM 0 H CYS B 14 -4.897 -6.643 -5.802 1.00 0.00 H new ATOM 0 HA CYS B 14 -2.567 -6.385 -4.361 1.00 0.00 H new ATOM 0 HB2 CYS B 14 -4.196 -4.749 -5.923 1.00 0.00 H new ATOM 0 HB3 CYS B 14 -4.055 -3.916 -4.388 1.00 0.00 H new ATOM 380 N CYS B 15 -5.257 -5.570 -2.615 1.00 0.00 N ATOM 381 CA CYS B 15 -5.772 -5.398 -1.267 1.00 0.00 C ATOM 382 C CYS B 15 -5.613 -6.722 -0.518 1.00 0.00 C ATOM 383 O CYS B 15 -4.981 -6.771 0.536 1.00 0.00 O ATOM 384 CB CYS B 15 -7.225 -4.918 -1.273 1.00 0.00 C ATOM 385 SG CYS B 15 -8.151 -5.252 0.269 1.00 0.00 S ATOM 0 H CYS B 15 -5.950 -5.454 -3.355 1.00 0.00 H new ATOM 0 HA CYS B 15 -5.203 -4.622 -0.755 1.00 0.00 H new ATOM 0 HB2 CYS B 15 -7.237 -3.845 -1.462 1.00 0.00 H new ATOM 0 HB3 CYS B 15 -7.746 -5.394 -2.103 1.00 0.00 H new ATOM 386 N ASN B 16 -6.197 -7.764 -1.092 1.00 0.00 N ATOM 387 CA ASN B 16 -6.126 -9.085 -0.493 1.00 0.00 C ATOM 388 C ASN B 16 -4.727 -9.305 0.088 1.00 0.00 C ATOM 389 O ASN B 16 -4.578 -9.928 1.137 1.00 0.00 O ATOM 390 CB ASN B 16 -6.381 -10.177 -1.534 1.00 0.00 C ATOM 391 CG ASN B 16 -7.873 -10.503 -1.632 1.00 0.00 C ATOM 392 OD1 ASN B 16 -8.669 -9.449 -1.475 1.00 0.00 O flip ATOM 393 ND2 ASN B 16 -8.275 -11.636 -1.837 1.00 0.00 N flip ATOM 0 H ASN B 16 -6.721 -7.719 -1.966 1.00 0.00 H new ATOM 0 HA ASN B 16 -6.888 -9.142 0.285 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -6.012 -9.851 -2.506 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -5.825 -11.076 -1.267 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -7.610 -12.401 -1.948 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -9.277 -11.819 -1.897 1.00 0.00 H new ATOM 394 N GLU B 17 -3.739 -8.778 -0.619 1.00 0.00 N ATOM 395 CA GLU B 17 -2.358 -8.908 -0.187 1.00 0.00 C ATOM 396 C GLU B 17 -2.218 -8.484 1.276 1.00 0.00 C ATOM 397 O GLU B 17 -1.599 -9.187 2.074 1.00 0.00 O ATOM 398 CB GLU B 17 -1.424 -8.095 -1.085 1.00 0.00 C ATOM 399 CG GLU B 17 -0.705 -7.005 -0.286 1.00 0.00 C ATOM 400 CD GLU B 17 0.560 -7.554 0.375 1.00 0.00 C ATOM 401 OE1 GLU B 17 0.431 -8.570 1.093 1.00 0.00 O ATOM 402 OE2 GLU B 17 1.629 -6.946 0.148 1.00 0.00 O ATOM 0 H GLU B 17 -3.867 -8.260 -1.488 1.00 0.00 H new ATOM 0 HA GLU B 17 -2.068 -9.955 -0.271 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -0.690 -8.756 -1.546 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -1.996 -7.640 -1.894 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -0.445 -6.177 -0.946 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -1.374 -6.607 0.476 1.00 0.00 H new ATOM 403 N LEU B 18 -2.803 -7.336 1.586 1.00 0.00 N ATOM 404 CA LEU B 18 -2.751 -6.810 2.939 1.00 0.00 C ATOM 405 C LEU B 18 -3.860 -7.453 3.774 1.00 0.00 C ATOM 406 O LEU B 18 -3.653 -7.779 4.943 1.00 0.00 O ATOM 407 CB LEU B 18 -2.802 -5.281 2.922 1.00 0.00 C ATOM 408 CG LEU B 18 -3.845 -4.635 3.837 1.00 0.00 C ATOM 409 CD1 LEU B 18 -3.578 -4.982 5.303 1.00 0.00 C ATOM 410 CD2 LEU B 18 -3.913 -3.124 3.609 1.00 0.00 C ATOM 0 H LEU B 18 -3.316 -6.755 0.922 1.00 0.00 H new ATOM 0 HA LEU B 18 -1.804 -7.069 3.412 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -1.819 -4.901 3.200 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -2.993 -4.955 1.900 1.00 0.00 H new ATOM 0 HG LEU B 18 -4.823 -5.043 3.582 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -4.333 -4.511 5.932 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -3.620 -6.063 5.434 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -2.590 -4.620 5.589 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -4.662 -2.689 4.271 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -2.940 -2.680 3.820 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -4.186 -2.924 2.573 1.00 0.00 H new ATOM 411 N TYR B 19 -5.013 -7.618 3.142 1.00 0.00 N ATOM 412 CA TYR B 19 -6.154 -8.217 3.813 1.00 0.00 C ATOM 413 C TYR B 19 -5.801 -9.596 4.373 1.00 0.00 C ATOM 414 O TYR B 19 -5.708 -9.771 5.587 1.00 0.00 O ATOM 415 CB TYR B 19 -7.236 -8.377 2.743 1.00 0.00 C ATOM 416 CG TYR B 19 -8.561 -7.695 3.089 1.00 0.00 C ATOM 417 CD1 TYR B 19 -8.665 -6.320 3.037 1.00 0.00 C ATOM 418 CD2 TYR B 19 -9.653 -8.456 3.455 1.00 0.00 C ATOM 419 CE1 TYR B 19 -9.911 -5.679 3.364 1.00 0.00 C ATOM 420 CE2 TYR B 19 -10.900 -7.815 3.782 1.00 0.00 C ATOM 421 CZ TYR B 19 -10.968 -6.458 3.720 1.00 0.00 C ATOM 422 OH TYR B 19 -12.146 -5.852 4.028 1.00 0.00 O ATOM 0 H TYR B 19 -5.181 -7.347 2.173 1.00 0.00 H new ATOM 0 HA TYR B 19 -6.478 -7.594 4.647 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -6.865 -7.970 1.802 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -7.418 -9.439 2.581 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -7.811 -5.725 2.751 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -9.572 -9.532 3.496 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -10.005 -4.604 3.328 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -11.762 -8.399 4.070 1.00 0.00 H new ATOM 0 HH TYR B 19 -12.652 -5.684 3.206 1.00 0.00 H new ATOM 423 N GLN B 20 -5.612 -10.539 3.462 1.00 0.00 N ATOM 424 CA GLN B 20 -5.271 -11.897 3.850 1.00 0.00 C ATOM 425 C GLN B 20 -4.128 -11.887 4.867 1.00 0.00 C ATOM 426 O GLN B 20 -4.078 -12.735 5.758 1.00 0.00 O ATOM 427 CB GLN B 20 -4.907 -12.742 2.627 1.00 0.00 C ATOM 428 CG GLN B 20 -6.157 -13.366 2.001 1.00 0.00 C ATOM 429 CD GLN B 20 -5.927 -14.843 1.678 1.00 0.00 C ATOM 430 OE1 GLN B 20 -5.704 -15.231 0.544 1.00 0.00 O ATOM 431 NE2 GLN B 20 -5.996 -15.645 2.738 1.00 0.00 N ATOM 0 H GLN B 20 -5.689 -10.389 2.456 1.00 0.00 H new ATOM 0 HA GLN B 20 -6.145 -12.350 4.318 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -4.398 -12.121 1.890 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -4.210 -13.528 2.918 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -7.000 -13.266 2.685 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -6.420 -12.827 1.091 1.00 0.00 H new ATOM 0 HE21 GLN B 20 -6.186 -15.255 3.661 1.00 0.00 H new ATOM 0 HE22 GLN B 20 -5.858 -16.650 2.627 1.00 0.00 H new ATOM 432 N GLU B 21 -3.240 -10.918 4.703 1.00 0.00 N ATOM 433 CA GLU B 21 -2.102 -10.786 5.596 1.00 0.00 C ATOM 434 C GLU B 21 -2.549 -10.219 6.945 1.00 0.00 C ATOM 435 O GLU B 21 -3.637 -10.535 7.426 1.00 0.00 O ATOM 436 CB GLU B 21 -1.011 -9.915 4.970 1.00 0.00 C ATOM 437 CG GLU B 21 0.381 -10.440 5.324 1.00 0.00 C ATOM 438 CD GLU B 21 0.719 -11.690 4.510 1.00 0.00 C ATOM 439 OE1 GLU B 21 -0.014 -12.722 4.764 1.00 0.00 O ATOM 440 OE2 GLU B 21 1.641 -11.661 3.682 1.00 0.00 O ATOM 0 H GLU B 21 -3.286 -10.216 3.964 1.00 0.00 H new ATOM 0 HA GLU B 21 -1.679 -11.777 5.762 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -1.132 -9.897 3.887 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -1.116 -8.888 5.319 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.125 -9.666 5.134 1.00 0.00 H new ATOM 0 HG3 GLU B 21 0.426 -10.671 6.388 1.00 0.00 H new ATOM 441 N ASP B 22 -1.687 -9.392 7.519 1.00 0.00 N ATOM 442 CA ASP B 22 -1.980 -8.778 8.802 1.00 0.00 C ATOM 443 C ASP B 22 -1.720 -7.273 8.715 1.00 0.00 C ATOM 444 O ASP B 22 -0.575 -6.832 8.801 1.00 0.00 O ATOM 445 CB ASP B 22 -1.084 -9.350 9.903 1.00 0.00 C ATOM 446 CG ASP B 22 -0.500 -10.733 9.609 1.00 0.00 C ATOM 447 OD1 ASP B 22 -1.231 -11.726 9.990 1.00 0.00 O ATOM 448 OD2 ASP B 22 0.598 -10.856 9.044 1.00 0.00 O ATOM 0 H ASP B 22 -0.785 -9.133 7.118 1.00 0.00 H new ATOM 0 HA ASP B 22 -3.023 -8.982 9.043 1.00 0.00 H new ATOM 0 HB2 ASP B 22 -0.263 -8.656 10.079 1.00 0.00 H new ATOM 0 HB3 ASP B 22 -1.659 -9.404 10.827 1.00 0.00 H new ATOM 449 N GLN B 23 -2.801 -6.527 8.545 1.00 0.00 N ATOM 450 CA GLN B 23 -2.704 -5.080 8.445 1.00 0.00 C ATOM 451 C GLN B 23 -1.904 -4.519 9.622 1.00 0.00 C ATOM 452 O GLN B 23 -1.697 -3.311 9.717 1.00 0.00 O ATOM 453 CB GLN B 23 -4.092 -4.441 8.372 1.00 0.00 C ATOM 454 CG GLN B 23 -4.961 -4.881 9.552 1.00 0.00 C ATOM 455 CD GLN B 23 -5.260 -3.702 10.481 1.00 0.00 C ATOM 456 OE1 GLN B 23 -5.669 -2.634 10.057 1.00 0.00 O ATOM 457 NE2 GLN B 23 -5.035 -3.956 11.767 1.00 0.00 N ATOM 0 H GLN B 23 -3.749 -6.897 8.474 1.00 0.00 H new ATOM 0 HA GLN B 23 -2.178 -4.834 7.523 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -3.997 -3.355 8.371 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.576 -4.720 7.436 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -5.895 -5.304 9.183 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -4.453 -5.668 10.109 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -4.692 -4.873 12.053 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -5.205 -3.234 12.467 1.00 0.00 H new ATOM 458 N VAL B 24 -1.475 -5.424 10.490 1.00 0.00 N ATOM 459 CA VAL B 24 -0.702 -5.034 11.657 1.00 0.00 C ATOM 460 C VAL B 24 -0.013 -3.696 11.383 1.00 0.00 C ATOM 461 O VAL B 24 0.039 -2.832 12.256 1.00 0.00 O ATOM 462 CB VAL B 24 0.279 -6.147 12.029 1.00 0.00 C ATOM 463 CG1 VAL B 24 1.680 -5.845 11.494 1.00 0.00 C ATOM 464 CG2 VAL B 24 0.308 -6.369 13.543 1.00 0.00 C ATOM 0 H VAL B 24 -1.648 -6.426 10.408 1.00 0.00 H new ATOM 0 HA VAL B 24 -1.355 -4.892 12.519 1.00 0.00 H new ATOM 0 HB VAL B 24 -0.068 -7.068 11.561 1.00 0.00 H new ATOM 0 HG11 VAL B 24 2.358 -6.652 11.773 1.00 0.00 H new ATOM 0 HG12 VAL B 24 1.644 -5.760 10.408 1.00 0.00 H new ATOM 0 HG13 VAL B 24 2.038 -4.908 11.920 1.00 0.00 H new ATOM 0 HG21 VAL B 24 1.013 -7.165 13.781 1.00 0.00 H new ATOM 0 HG22 VAL B 24 0.618 -5.450 14.040 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -0.687 -6.650 13.889 1.00 0.00 H new ATOM 465 N CYS B 25 0.498 -3.568 10.168 1.00 0.00 N ATOM 466 CA CYS B 25 1.181 -2.349 9.769 1.00 0.00 C ATOM 467 C CYS B 25 0.315 -1.156 10.177 1.00 0.00 C ATOM 468 O CYS B 25 0.396 -0.684 11.310 1.00 0.00 O ATOM 469 CB CYS B 25 1.494 -2.340 8.271 1.00 0.00 C ATOM 470 SG CYS B 25 3.160 -1.721 7.838 1.00 0.00 S ATOM 0 H CYS B 25 0.453 -4.288 9.447 1.00 0.00 H new ATOM 0 HA CYS B 25 2.144 -2.288 10.276 1.00 0.00 H new ATOM 0 HB2 CYS B 25 1.387 -3.354 7.886 1.00 0.00 H new ATOM 0 HB3 CYS B 25 0.750 -1.726 7.763 1.00 0.00 H new ATOM 471 N VAL B 26 -0.497 -0.703 9.231 1.00 0.00 N ATOM 472 CA VAL B 26 -1.377 0.426 9.479 1.00 0.00 C ATOM 473 C VAL B 26 -1.823 1.022 8.143 1.00 0.00 C ATOM 474 O VAL B 26 -2.831 0.602 7.576 1.00 0.00 O ATOM 475 CB VAL B 26 -0.682 1.443 10.387 1.00 0.00 C ATOM 476 CG1 VAL B 26 -1.254 2.846 10.175 1.00 0.00 C ATOM 477 CG2 VAL B 26 -0.781 1.025 11.855 1.00 0.00 C ATOM 0 H VAL B 26 -0.563 -1.098 8.293 1.00 0.00 H new ATOM 0 HA VAL B 26 -2.275 0.102 10.006 1.00 0.00 H new ATOM 0 HB VAL B 26 0.374 1.468 10.118 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -0.743 3.550 10.832 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -1.107 3.146 9.137 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -2.320 2.843 10.405 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -0.279 1.765 12.479 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -1.830 0.958 12.144 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -0.305 0.054 11.990 1.00 0.00 H new ATOM 478 N CYS B 27 -1.049 1.992 7.677 1.00 0.00 N ATOM 479 CA CYS B 27 -1.351 2.651 6.418 1.00 0.00 C ATOM 480 C CYS B 27 -0.105 3.415 5.965 1.00 0.00 C ATOM 481 O CYS B 27 -0.142 4.133 4.966 1.00 0.00 O ATOM 482 CB CYS B 27 -2.572 3.565 6.536 1.00 0.00 C ATOM 483 SG CYS B 27 -3.975 3.118 5.450 1.00 0.00 S ATOM 0 H CYS B 27 -0.213 2.337 8.149 1.00 0.00 H new ATOM 0 HA CYS B 27 -1.611 1.905 5.667 1.00 0.00 H new ATOM 0 HB2 CYS B 27 -2.915 3.557 7.571 1.00 0.00 H new ATOM 0 HB3 CYS B 27 -2.267 4.586 6.309 1.00 0.00 H new ATOM 484 N PRO B 28 0.996 3.231 6.741 1.00 0.00 N ATOM 485 CA PRO B 28 2.250 3.895 6.429 1.00 0.00 C ATOM 486 C PRO B 28 2.939 3.234 5.234 1.00 0.00 C ATOM 487 O PRO B 28 3.845 3.813 4.637 1.00 0.00 O ATOM 488 CB PRO B 28 3.068 3.810 7.708 1.00 0.00 C ATOM 489 CG PRO B 28 2.435 2.703 8.535 1.00 0.00 C ATOM 490 CD PRO B 28 1.076 2.388 7.930 1.00 0.00 C ATOM 0 HA PRO B 28 2.112 4.933 6.127 1.00 0.00 H new ATOM 0 HB2 PRO B 28 4.112 3.586 7.490 1.00 0.00 H new ATOM 0 HB3 PRO B 28 3.051 4.758 8.246 1.00 0.00 H new ATOM 0 HG2 PRO B 28 3.068 1.816 8.534 1.00 0.00 H new ATOM 0 HG3 PRO B 28 2.327 3.016 9.573 1.00 0.00 H new ATOM 0 HD2 PRO B 28 0.992 1.332 7.673 1.00 0.00 H new ATOM 0 HD3 PRO B 28 0.270 2.611 8.629 1.00 0.00 H new ATOM 491 N THR B 29 2.483 2.030 4.920 1.00 0.00 N ATOM 492 CA THR B 29 3.043 1.283 3.807 1.00 0.00 C ATOM 493 C THR B 29 2.997 2.121 2.526 1.00 0.00 C ATOM 494 O THR B 29 3.946 2.117 1.745 1.00 0.00 O ATOM 495 CB THR B 29 2.285 -0.040 3.695 1.00 0.00 C ATOM 496 OG1 THR B 29 1.044 0.214 4.348 1.00 0.00 O ATOM 497 CG2 THR B 29 2.924 -1.153 4.530 1.00 0.00 C ATOM 0 H THR B 29 1.731 1.553 5.418 1.00 0.00 H new ATOM 0 HA THR B 29 4.096 1.056 3.973 1.00 0.00 H new ATOM 0 HB THR B 29 2.244 -0.347 2.650 1.00 0.00 H new ATOM 0 HG1 THR B 29 1.016 -0.273 5.198 1.00 0.00 H new ATOM 0 HG21 THR B 29 2.347 -2.071 4.415 1.00 0.00 H new ATOM 0 HG22 THR B 29 3.946 -1.322 4.190 1.00 0.00 H new ATOM 0 HG23 THR B 29 2.934 -0.860 5.580 1.00 0.00 H new ATOM 498 N LEU B 30 1.883 2.817 2.353 1.00 0.00 N ATOM 499 CA LEU B 30 1.700 3.656 1.182 1.00 0.00 C ATOM 500 C LEU B 30 3.029 4.327 0.828 1.00 0.00 C ATOM 501 O LEU B 30 3.575 4.101 -0.252 1.00 0.00 O ATOM 502 CB LEU B 30 0.554 4.644 1.403 1.00 0.00 C ATOM 503 CG LEU B 30 -0.807 4.230 0.839 1.00 0.00 C ATOM 504 CD1 LEU B 30 -1.791 3.906 1.964 1.00 0.00 C ATOM 505 CD2 LEU B 30 -1.354 5.297 -0.112 1.00 0.00 C ATOM 0 H LEU B 30 1.098 2.817 3.005 1.00 0.00 H new ATOM 0 HA LEU B 30 1.408 3.051 0.323 1.00 0.00 H new ATOM 0 HB2 LEU B 30 0.446 4.810 2.475 1.00 0.00 H new ATOM 0 HB3 LEU B 30 0.834 5.599 0.959 1.00 0.00 H new ATOM 0 HG LEU B 30 -0.673 3.318 0.257 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -2.750 3.615 1.536 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -1.398 3.086 2.566 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -1.927 4.786 2.593 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -2.322 4.978 -0.499 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -1.470 6.238 0.425 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -0.660 5.436 -0.941 1.00 0.00 H new ATOM 506 N LYS B 31 3.512 5.138 1.757 1.00 0.00 N ATOM 507 CA LYS B 31 4.768 5.843 1.556 1.00 0.00 C ATOM 508 C LYS B 31 5.816 4.866 1.023 1.00 0.00 C ATOM 509 O LYS B 31 6.406 5.096 -0.031 1.00 0.00 O ATOM 510 CB LYS B 31 5.191 6.560 2.840 1.00 0.00 C ATOM 511 CG LYS B 31 3.988 7.214 3.525 1.00 0.00 C ATOM 512 CD LYS B 31 4.441 8.201 4.603 1.00 0.00 C ATOM 513 CE LYS B 31 3.434 8.257 5.753 1.00 0.00 C ATOM 514 NZ LYS B 31 3.603 9.506 6.530 1.00 0.00 N ATOM 0 H LYS B 31 3.057 5.323 2.651 1.00 0.00 H new ATOM 0 HA LYS B 31 4.651 6.625 0.806 1.00 0.00 H new ATOM 0 HB2 LYS B 31 5.659 5.849 3.521 1.00 0.00 H new ATOM 0 HB3 LYS B 31 5.939 7.319 2.608 1.00 0.00 H new ATOM 0 HG2 LYS B 31 3.381 7.733 2.784 1.00 0.00 H new ATOM 0 HG3 LYS B 31 3.357 6.446 3.972 1.00 0.00 H new ATOM 0 HD2 LYS B 31 5.418 7.905 4.985 1.00 0.00 H new ATOM 0 HD3 LYS B 31 4.556 9.193 4.167 1.00 0.00 H new ATOM 0 HE2 LYS B 31 2.419 8.202 5.359 1.00 0.00 H new ATOM 0 HE3 LYS B 31 3.570 7.395 6.406 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 2.786 9.636 7.160 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 4.472 9.446 7.098 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 3.670 10.314 5.878 1.00 0.00 H new ATOM 515 N GLN B 32 6.018 3.795 1.777 1.00 0.00 N ATOM 516 CA GLN B 32 6.986 2.781 1.394 1.00 0.00 C ATOM 517 C GLN B 32 6.782 2.378 -0.068 1.00 0.00 C ATOM 518 O GLN B 32 7.747 2.107 -0.781 1.00 0.00 O ATOM 519 CB GLN B 32 6.899 1.562 2.315 1.00 0.00 C ATOM 520 CG GLN B 32 8.080 1.525 3.287 1.00 0.00 C ATOM 521 CD GLN B 32 9.103 0.467 2.866 1.00 0.00 C ATOM 522 OE1 GLN B 32 8.710 -0.783 3.088 1.00 0.00 O flip ATOM 523 NE2 GLN B 32 10.178 0.768 2.374 1.00 0.00 N flip ATOM 0 H GLN B 32 5.528 3.607 2.651 1.00 0.00 H new ATOM 0 HA GLN B 32 7.985 3.204 1.499 1.00 0.00 H new ATOM 0 HB2 GLN B 32 5.964 1.590 2.874 1.00 0.00 H new ATOM 0 HB3 GLN B 32 6.886 0.650 1.718 1.00 0.00 H new ATOM 0 HG2 GLN B 32 8.558 2.504 3.322 1.00 0.00 H new ATOM 0 HG3 GLN B 32 7.721 1.309 4.293 1.00 0.00 H new ATOM 0 HE21 GLN B 32 10.417 1.749 2.231 1.00 0.00 H new ATOM 0 HE22 GLN B 32 10.838 0.038 2.106 1.00 0.00 H new ATOM 524 N ALA B 33 5.520 2.353 -0.471 1.00 0.00 N ATOM 525 CA ALA B 33 5.177 1.988 -1.835 1.00 0.00 C ATOM 526 C ALA B 33 5.993 2.842 -2.808 1.00 0.00 C ATOM 527 O ALA B 33 6.934 2.353 -3.431 1.00 0.00 O ATOM 528 CB ALA B 33 3.670 2.147 -2.043 1.00 0.00 C ATOM 0 H ALA B 33 4.723 2.580 0.123 1.00 0.00 H new ATOM 0 HA ALA B 33 5.424 0.944 -2.026 1.00 0.00 H new ATOM 0 HB1 ALA B 33 3.413 1.873 -3.066 1.00 0.00 H new ATOM 0 HB2 ALA B 33 3.136 1.498 -1.349 1.00 0.00 H new ATOM 0 HB3 ALA B 33 3.385 3.184 -1.862 1.00 0.00 H new ATOM 529 N ALA B 34 5.603 4.104 -2.907 1.00 0.00 N ATOM 530 CA ALA B 34 6.287 5.031 -3.793 1.00 0.00 C ATOM 531 C ALA B 34 7.719 5.241 -3.297 1.00 0.00 C ATOM 532 O ALA B 34 8.649 5.330 -4.097 1.00 0.00 O ATOM 533 CB ALA B 34 5.498 6.340 -3.869 1.00 0.00 C ATOM 0 H ALA B 34 4.822 4.507 -2.389 1.00 0.00 H new ATOM 0 HA ALA B 34 6.344 4.626 -4.803 1.00 0.00 H new ATOM 0 HB1 ALA B 34 6.011 7.036 -4.533 1.00 0.00 H new ATOM 0 HB2 ALA B 34 4.498 6.140 -4.254 1.00 0.00 H new ATOM 0 HB3 ALA B 34 5.423 6.778 -2.874 1.00 0.00 H new ATOM 534 N LYS B 35 7.852 5.314 -1.981 1.00 0.00 N ATOM 535 CA LYS B 35 9.155 5.512 -1.371 1.00 0.00 C ATOM 536 C LYS B 35 10.160 4.547 -2.001 1.00 0.00 C ATOM 537 O LYS B 35 11.223 4.965 -2.459 1.00 0.00 O ATOM 538 CB LYS B 35 9.057 5.389 0.152 1.00 0.00 C ATOM 539 CG LYS B 35 10.427 5.580 0.807 1.00 0.00 C ATOM 540 CD LYS B 35 10.539 6.965 1.449 1.00 0.00 C ATOM 541 CE LYS B 35 11.297 7.932 0.537 1.00 0.00 C ATOM 542 NZ LYS B 35 12.572 8.345 1.166 1.00 0.00 N ATOM 0 H LYS B 35 7.079 5.240 -1.320 1.00 0.00 H new ATOM 0 HA LYS B 35 9.517 6.522 -1.565 1.00 0.00 H new ATOM 0 HB2 LYS B 35 8.359 6.133 0.536 1.00 0.00 H new ATOM 0 HB3 LYS B 35 8.657 4.410 0.416 1.00 0.00 H new ATOM 0 HG2 LYS B 35 10.583 4.811 1.563 1.00 0.00 H new ATOM 0 HG3 LYS B 35 11.212 5.457 0.060 1.00 0.00 H new ATOM 0 HD2 LYS B 35 9.543 7.357 1.653 1.00 0.00 H new ATOM 0 HD3 LYS B 35 11.052 6.885 2.407 1.00 0.00 H new ATOM 0 HE2 LYS B 35 11.496 7.456 -0.423 1.00 0.00 H new ATOM 0 HE3 LYS B 35 10.682 8.810 0.336 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 13.211 8.724 0.438 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 12.386 9.079 1.879 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 13.016 7.523 1.623 1.00 0.00 H new ATOM 543 N SER B 36 9.791 3.276 -2.006 1.00 0.00 N ATOM 544 CA SER B 36 10.647 2.248 -2.573 1.00 0.00 C ATOM 545 C SER B 36 10.412 2.145 -4.081 1.00 0.00 C ATOM 546 O SER B 36 11.362 2.154 -4.863 1.00 0.00 O ATOM 547 CB SER B 36 10.402 0.894 -1.904 1.00 0.00 C ATOM 548 OG SER B 36 9.076 0.422 -2.124 1.00 0.00 O ATOM 0 H SER B 36 8.909 2.933 -1.626 1.00 0.00 H new ATOM 0 HA SER B 36 11.684 2.529 -2.391 1.00 0.00 H new ATOM 0 HB2 SER B 36 11.115 0.165 -2.289 1.00 0.00 H new ATOM 0 HB3 SER B 36 10.583 0.981 -0.833 1.00 0.00 H new ATOM 0 HG SER B 36 8.488 0.758 -1.416 1.00 0.00 H new ATOM 549 N VAL B 37 9.142 2.049 -4.444 1.00 0.00 N ATOM 550 CA VAL B 37 8.769 1.944 -5.845 1.00 0.00 C ATOM 551 C VAL B 37 9.698 2.826 -6.682 1.00 0.00 C ATOM 552 O VAL B 37 10.726 2.360 -7.173 1.00 0.00 O ATOM 553 CB VAL B 37 7.290 2.297 -6.021 1.00 0.00 C ATOM 554 CG1 VAL B 37 7.027 2.872 -7.414 1.00 0.00 C ATOM 555 CG2 VAL B 37 6.401 1.081 -5.752 1.00 0.00 C ATOM 0 H VAL B 37 8.357 2.042 -3.792 1.00 0.00 H new ATOM 0 HA VAL B 37 8.888 0.919 -6.197 1.00 0.00 H new ATOM 0 HB VAL B 37 7.038 3.064 -5.289 1.00 0.00 H new ATOM 0 HG11 VAL B 37 5.969 3.115 -7.514 1.00 0.00 H new ATOM 0 HG12 VAL B 37 7.621 3.775 -7.553 1.00 0.00 H new ATOM 0 HG13 VAL B 37 7.303 2.136 -8.169 1.00 0.00 H new ATOM 0 HG21 VAL B 37 5.355 1.359 -5.884 1.00 0.00 H new ATOM 0 HG22 VAL B 37 6.655 0.283 -6.450 1.00 0.00 H new ATOM 0 HG23 VAL B 37 6.558 0.734 -4.731 1.00 0.00 H new ATOM 556 N ARG B 38 9.304 4.083 -6.819 1.00 0.00 N ATOM 557 CA ARG B 38 10.088 5.034 -7.589 1.00 0.00 C ATOM 558 C ARG B 38 10.994 5.846 -6.662 1.00 0.00 C ATOM 559 O ARG B 38 12.009 5.343 -6.182 1.00 0.00 O ATOM 560 CB ARG B 38 9.184 5.987 -8.373 1.00 0.00 C ATOM 561 CG ARG B 38 10.012 6.987 -9.182 1.00 0.00 C ATOM 562 CD ARG B 38 9.766 6.815 -10.682 1.00 0.00 C ATOM 563 NE ARG B 38 9.856 8.126 -11.364 1.00 0.00 N ATOM 564 CZ ARG B 38 10.194 8.283 -12.661 1.00 0.00 C ATOM 565 NH1 ARG B 38 10.477 7.210 -13.430 1.00 0.00 N ATOM 566 NH2 ARG B 38 10.244 9.502 -13.166 1.00 0.00 N ATOM 0 H ARG B 38 8.452 4.466 -6.410 1.00 0.00 H new ATOM 0 HA ARG B 38 10.697 4.469 -8.295 1.00 0.00 H new ATOM 0 HB2 ARG B 38 8.541 5.416 -9.043 1.00 0.00 H new ATOM 0 HB3 ARG B 38 8.531 6.523 -7.685 1.00 0.00 H new ATOM 0 HG2 ARG B 38 9.756 8.003 -8.882 1.00 0.00 H new ATOM 0 HG3 ARG B 38 11.071 6.848 -8.965 1.00 0.00 H new ATOM 0 HD2 ARG B 38 10.499 6.126 -11.102 1.00 0.00 H new ATOM 0 HD3 ARG B 38 8.783 6.376 -10.849 1.00 0.00 H new ATOM 0 HE ARG B 38 9.650 8.963 -10.819 1.00 0.00 H new ATOM 0 HH11 ARG B 38 10.436 6.272 -13.032 1.00 0.00 H new ATOM 0 HH12 ARG B 38 10.732 7.337 -14.409 1.00 0.00 H new ATOM 0 HH21 ARG B 38 10.029 10.307 -12.578 1.00 0.00 H new ATOM 0 HH22 ARG B 38 10.498 9.639 -14.144 1.00 0.00 H new ATOM 567 N VAL B 39 10.596 7.091 -6.439 1.00 0.00 N ATOM 568 CA VAL B 39 11.360 7.978 -5.580 1.00 0.00 C ATOM 569 C VAL B 39 12.623 7.258 -5.104 1.00 0.00 C ATOM 570 O VAL B 39 12.554 6.376 -4.248 1.00 0.00 O ATOM 571 CB VAL B 39 10.483 8.472 -4.427 1.00 0.00 C ATOM 572 CG1 VAL B 39 9.000 8.405 -4.799 1.00 0.00 C ATOM 573 CG2 VAL B 39 10.764 7.682 -3.147 1.00 0.00 C ATOM 0 H VAL B 39 9.754 7.505 -6.839 1.00 0.00 H new ATOM 0 HA VAL B 39 11.679 8.863 -6.131 1.00 0.00 H new ATOM 0 HB VAL B 39 10.734 9.516 -4.238 1.00 0.00 H new ATOM 0 HG11 VAL B 39 8.399 8.761 -3.963 1.00 0.00 H new ATOM 0 HG12 VAL B 39 8.815 9.031 -5.672 1.00 0.00 H new ATOM 0 HG13 VAL B 39 8.728 7.374 -5.028 1.00 0.00 H new ATOM 0 HG21 VAL B 39 10.128 8.053 -2.343 1.00 0.00 H new ATOM 0 HG22 VAL B 39 10.554 6.626 -3.318 1.00 0.00 H new ATOM 0 HG23 VAL B 39 11.810 7.803 -2.867 1.00 0.00 H new ATOM 574 N GLN B 40 13.747 7.659 -5.678 1.00 0.00 N ATOM 575 CA GLN B 40 15.024 7.062 -5.323 1.00 0.00 C ATOM 576 C GLN B 40 16.147 7.674 -6.163 1.00 0.00 C ATOM 577 O GLN B 40 15.893 8.256 -7.216 1.00 0.00 O ATOM 578 CB GLN B 40 14.983 5.542 -5.486 1.00 0.00 C ATOM 579 CG GLN B 40 16.396 4.964 -5.594 1.00 0.00 C ATOM 580 CD GLN B 40 16.354 3.445 -5.778 1.00 0.00 C ATOM 581 OE1 GLN B 40 15.732 2.720 -5.018 1.00 0.00 O ATOM 582 NE2 GLN B 40 17.048 3.007 -6.824 1.00 0.00 N ATOM 0 H GLN B 40 13.801 8.390 -6.387 1.00 0.00 H new ATOM 0 HA GLN B 40 15.224 7.276 -4.273 1.00 0.00 H new ATOM 0 HB2 GLN B 40 14.467 5.095 -4.636 1.00 0.00 H new ATOM 0 HB3 GLN B 40 14.411 5.283 -6.377 1.00 0.00 H new ATOM 0 HG2 GLN B 40 16.917 5.422 -6.435 1.00 0.00 H new ATOM 0 HG3 GLN B 40 16.963 5.210 -4.696 1.00 0.00 H new ATOM 0 HE21 GLN B 40 17.546 3.669 -7.419 1.00 0.00 H new ATOM 0 HE22 GLN B 40 17.083 2.009 -7.031 1.00 0.00 H new ATOM 583 N GLY B 41 17.366 7.521 -5.665 1.00 0.00 N ATOM 584 CA GLY B 41 18.529 8.050 -6.356 1.00 0.00 C ATOM 585 C GLY B 41 18.342 9.532 -6.687 1.00 0.00 C ATOM 586 O GLY B 41 18.459 10.387 -5.809 1.00 0.00 O ATOM 0 H GLY B 41 17.573 7.038 -4.791 1.00 0.00 H new ATOM 0 HA2 GLY B 41 19.415 7.921 -5.735 1.00 0.00 H new ATOM 0 HA3 GLY B 41 18.699 7.487 -7.274 1.00 0.00 H new ATOM 587 N GLN B 42 18.055 9.792 -7.953 1.00 0.00 N ATOM 588 CA GLN B 42 17.851 11.156 -8.410 1.00 0.00 C ATOM 589 C GLN B 42 16.584 11.742 -7.786 1.00 0.00 C ATOM 590 O GLN B 42 16.308 12.932 -7.931 1.00 0.00 O ATOM 591 CB GLN B 42 17.788 11.219 -9.938 1.00 0.00 C ATOM 592 CG GLN B 42 18.964 12.020 -10.502 1.00 0.00 C ATOM 593 CD GLN B 42 18.536 13.443 -10.862 1.00 0.00 C ATOM 594 OE1 GLN B 42 18.959 14.418 -10.262 1.00 0.00 O ATOM 595 NE2 GLN B 42 17.674 13.510 -11.873 1.00 0.00 N ATOM 0 H GLN B 42 17.959 9.081 -8.678 1.00 0.00 H new ATOM 0 HA GLN B 42 18.702 11.756 -8.088 1.00 0.00 H new ATOM 0 HB2 GLN B 42 17.801 10.209 -10.348 1.00 0.00 H new ATOM 0 HB3 GLN B 42 16.849 11.677 -10.248 1.00 0.00 H new ATOM 0 HG2 GLN B 42 19.770 12.053 -9.769 1.00 0.00 H new ATOM 0 HG3 GLN B 42 19.358 11.520 -11.387 1.00 0.00 H new ATOM 0 HE21 GLN B 42 17.359 12.655 -12.333 1.00 0.00 H new ATOM 0 HE22 GLN B 42 17.328 14.416 -12.189 1.00 0.00 H new ATOM 596 N HIS B 43 15.846 10.879 -7.102 1.00 0.00 N ATOM 597 CA HIS B 43 14.614 11.294 -6.455 1.00 0.00 C ATOM 598 C HIS B 43 14.459 10.556 -5.124 1.00 0.00 C ATOM 599 O HIS B 43 13.449 9.891 -4.894 1.00 0.00 O ATOM 600 CB HIS B 43 13.415 11.097 -7.386 1.00 0.00 C ATOM 601 CG HIS B 43 12.186 11.873 -6.979 1.00 0.00 C ATOM 602 ND1 HIS B 43 11.640 12.876 -7.761 1.00 0.00 N ATOM 603 CD2 HIS B 43 11.403 11.783 -5.865 1.00 0.00 C ATOM 604 CE1 HIS B 43 10.576 13.361 -7.136 1.00 0.00 C ATOM 605 NE2 HIS B 43 10.432 12.682 -5.962 1.00 0.00 N ATOM 0 H HIS B 43 16.079 9.893 -6.982 1.00 0.00 H new ATOM 0 HA HIS B 43 14.657 12.361 -6.236 1.00 0.00 H new ATOM 0 HB2 HIS B 43 13.700 11.392 -8.396 1.00 0.00 H new ATOM 0 HB3 HIS B 43 13.167 10.036 -7.422 1.00 0.00 H new ATOM 0 HD2 HIS B 43 11.549 11.097 -5.044 1.00 0.00 H new ATOM 0 HE1 HIS B 43 9.936 14.154 -7.494 1.00 0.00 H new ATOM 0 HE2 HIS B 43 9.698 12.840 -5.272 1.00 0.00 H new ATOM 606 N GLY B 44 15.473 10.699 -4.283 1.00 0.00 N ATOM 607 CA GLY B 44 15.461 10.053 -2.982 1.00 0.00 C ATOM 608 C GLY B 44 14.196 10.414 -2.201 1.00 0.00 C ATOM 609 O GLY B 44 13.087 10.099 -2.629 1.00 0.00 O ATOM 0 H GLY B 44 16.308 11.252 -4.477 1.00 0.00 H new ATOM 0 HA2 GLY B 44 15.518 8.972 -3.109 1.00 0.00 H new ATOM 0 HA3 GLY B 44 16.341 10.355 -2.414 1.00 0.00 H new ATOM 610 N PRO B 45 14.411 11.089 -1.039 1.00 0.00 N ATOM 611 CA PRO B 45 13.300 11.496 -0.196 1.00 0.00 C ATOM 612 C PRO B 45 12.565 12.696 -0.797 1.00 0.00 C ATOM 613 O PRO B 45 13.189 13.694 -1.154 1.00 0.00 O ATOM 614 CB PRO B 45 13.925 11.800 1.157 1.00 0.00 C ATOM 615 CG PRO B 45 15.409 11.999 0.895 1.00 0.00 C ATOM 616 CD PRO B 45 15.709 11.479 -0.501 1.00 0.00 C ATOM 0 HA PRO B 45 12.537 10.723 -0.104 1.00 0.00 H new ATOM 0 HB2 PRO B 45 13.483 12.693 1.600 1.00 0.00 H new ATOM 0 HB3 PRO B 45 13.758 10.981 1.857 1.00 0.00 H new ATOM 0 HG2 PRO B 45 15.673 13.054 0.974 1.00 0.00 H new ATOM 0 HG3 PRO B 45 16.003 11.465 1.637 1.00 0.00 H new ATOM 0 HD2 PRO B 45 16.178 12.246 -1.117 1.00 0.00 H new ATOM 0 HD3 PRO B 45 16.395 10.632 -0.469 1.00 0.00 H new ATOM 617 N PHE B 46 11.251 12.558 -0.891 1.00 0.00 N ATOM 618 CA PHE B 46 10.425 13.619 -1.442 1.00 0.00 C ATOM 619 C PHE B 46 9.365 14.069 -0.436 1.00 0.00 C ATOM 620 O PHE B 46 9.243 13.490 0.644 1.00 0.00 O ATOM 621 CB PHE B 46 9.728 13.045 -2.677 1.00 0.00 C ATOM 622 CG PHE B 46 9.029 14.097 -3.542 1.00 0.00 C ATOM 623 CD1 PHE B 46 9.650 15.275 -3.814 1.00 0.00 C ATOM 624 CD2 PHE B 46 7.787 13.853 -4.039 1.00 0.00 C ATOM 625 CE1 PHE B 46 9.002 16.251 -4.616 1.00 0.00 C ATOM 626 CE2 PHE B 46 7.139 14.828 -4.842 1.00 0.00 C ATOM 627 CZ PHE B 46 7.760 16.007 -5.113 1.00 0.00 C ATOM 0 H PHE B 46 10.738 11.728 -0.595 1.00 0.00 H new ATOM 0 HA PHE B 46 11.043 14.483 -1.687 1.00 0.00 H new ATOM 0 HB2 PHE B 46 10.464 12.520 -3.286 1.00 0.00 H new ATOM 0 HB3 PHE B 46 8.993 12.306 -2.357 1.00 0.00 H new ATOM 0 HD1 PHE B 46 10.637 15.469 -3.420 1.00 0.00 H new ATOM 0 HD2 PHE B 46 7.293 12.917 -3.823 1.00 0.00 H new ATOM 0 HE1 PHE B 46 9.495 17.187 -4.831 1.00 0.00 H new ATOM 0 HE2 PHE B 46 6.153 14.633 -5.238 1.00 0.00 H new ATOM 0 HZ PHE B 46 7.267 16.749 -5.723 1.00 0.00 H new ATOM 628 N GLN B 47 8.624 15.097 -0.823 1.00 0.00 N ATOM 629 CA GLN B 47 7.578 15.631 0.032 1.00 0.00 C ATOM 630 C GLN B 47 6.335 14.741 -0.031 1.00 0.00 C ATOM 631 O GLN B 47 5.290 15.089 0.516 1.00 0.00 O ATOM 632 CB GLN B 47 7.240 17.073 -0.351 1.00 0.00 C ATOM 633 CG GLN B 47 8.510 17.913 -0.498 1.00 0.00 C ATOM 634 CD GLN B 47 9.355 17.859 0.776 1.00 0.00 C ATOM 635 OE1 GLN B 47 8.858 17.670 1.874 1.00 0.00 O ATOM 636 NE2 GLN B 47 10.657 18.034 0.569 1.00 0.00 N ATOM 0 H GLN B 47 8.728 15.575 -1.718 1.00 0.00 H new ATOM 0 HA GLN B 47 7.944 15.639 1.059 1.00 0.00 H new ATOM 0 HB2 GLN B 47 6.683 17.083 -1.288 1.00 0.00 H new ATOM 0 HB3 GLN B 47 6.594 17.513 0.409 1.00 0.00 H new ATOM 0 HG2 GLN B 47 9.095 17.549 -1.342 1.00 0.00 H new ATOM 0 HG3 GLN B 47 8.243 18.947 -0.718 1.00 0.00 H new ATOM 0 HE21 GLN B 47 11.007 18.188 -0.377 1.00 0.00 H new ATOM 0 HE22 GLN B 47 11.306 18.014 1.356 1.00 0.00 H new ATOM 637 N SER B 48 6.490 13.609 -0.702 1.00 0.00 N ATOM 638 CA SER B 48 5.394 12.666 -0.842 1.00 0.00 C ATOM 639 C SER B 48 5.021 12.089 0.525 1.00 0.00 C ATOM 640 O SER B 48 3.854 11.800 0.783 1.00 0.00 O ATOM 641 CB SER B 48 5.756 11.540 -1.812 1.00 0.00 C ATOM 642 OG SER B 48 4.719 11.297 -2.758 1.00 0.00 O ATOM 0 H SER B 48 7.358 13.324 -1.155 1.00 0.00 H new ATOM 0 HA SER B 48 4.536 13.199 -1.251 1.00 0.00 H new ATOM 0 HB2 SER B 48 6.675 11.797 -2.339 1.00 0.00 H new ATOM 0 HB3 SER B 48 5.955 10.627 -1.250 1.00 0.00 H new ATOM 0 HG SER B 48 4.150 10.566 -2.439 1.00 0.00 H new ATOM 643 N THR B 49 6.036 11.938 1.364 1.00 0.00 N ATOM 644 CA THR B 49 5.829 11.400 2.699 1.00 0.00 C ATOM 645 C THR B 49 4.497 11.890 3.271 1.00 0.00 C ATOM 646 O THR B 49 3.714 11.099 3.794 1.00 0.00 O ATOM 647 CB THR B 49 7.036 11.785 3.555 1.00 0.00 C ATOM 648 OG1 THR B 49 7.739 10.558 3.737 1.00 0.00 O ATOM 649 CG2 THR B 49 6.640 12.200 4.973 1.00 0.00 C ATOM 0 H THR B 49 7.003 12.178 1.146 1.00 0.00 H new ATOM 0 HA THR B 49 5.758 10.312 2.681 1.00 0.00 H new ATOM 0 HB THR B 49 7.575 12.602 3.075 1.00 0.00 H new ATOM 0 HG1 THR B 49 8.539 10.717 4.281 1.00 0.00 H new ATOM 0 HG21 THR B 49 7.534 12.463 5.538 1.00 0.00 H new ATOM 0 HG22 THR B 49 5.973 13.061 4.927 1.00 0.00 H new ATOM 0 HG23 THR B 49 6.130 11.372 5.465 1.00 0.00 H new ATOM 650 N ARG B 50 4.280 13.191 3.151 1.00 0.00 N ATOM 651 CA ARG B 50 3.058 13.796 3.650 1.00 0.00 C ATOM 652 C ARG B 50 1.931 13.638 2.626 1.00 0.00 C ATOM 653 O ARG B 50 1.011 12.847 2.826 1.00 0.00 O ATOM 654 CB ARG B 50 3.260 15.282 3.950 1.00 0.00 C ATOM 655 CG ARG B 50 4.687 15.719 3.617 1.00 0.00 C ATOM 656 CD ARG B 50 4.948 17.150 4.091 1.00 0.00 C ATOM 657 NE ARG B 50 5.917 17.144 5.209 1.00 0.00 N ATOM 658 CZ ARG B 50 6.117 18.181 6.036 1.00 0.00 C ATOM 659 NH1 ARG B 50 5.416 19.311 5.874 1.00 0.00 N ATOM 660 NH2 ARG B 50 7.018 18.086 7.024 1.00 0.00 N ATOM 0 H ARG B 50 4.931 13.844 2.715 1.00 0.00 H new ATOM 0 HA ARG B 50 2.789 13.285 4.574 1.00 0.00 H new ATOM 0 HB2 ARG B 50 2.550 15.873 3.371 1.00 0.00 H new ATOM 0 HB3 ARG B 50 3.053 15.476 5.002 1.00 0.00 H new ATOM 0 HG2 ARG B 50 5.398 15.041 4.089 1.00 0.00 H new ATOM 0 HG3 ARG B 50 4.849 15.653 2.541 1.00 0.00 H new ATOM 0 HD2 ARG B 50 5.335 17.750 3.267 1.00 0.00 H new ATOM 0 HD3 ARG B 50 4.014 17.612 4.411 1.00 0.00 H new ATOM 0 HE ARG B 50 6.467 16.299 5.360 1.00 0.00 H new ATOM 0 HH11 ARG B 50 4.731 19.383 5.122 1.00 0.00 H new ATOM 0 HH12 ARG B 50 5.568 20.100 6.503 1.00 0.00 H new ATOM 0 HH21 ARG B 50 7.551 17.225 7.147 1.00 0.00 H new ATOM 0 HH22 ARG B 50 7.170 18.874 7.653 1.00 0.00 H new ATOM 661 N ILE B 51 2.042 14.403 1.549 1.00 0.00 N ATOM 662 CA ILE B 51 1.045 14.359 0.493 1.00 0.00 C ATOM 663 C ILE B 51 0.560 12.919 0.316 1.00 0.00 C ATOM 664 O ILE B 51 -0.621 12.683 0.062 1.00 0.00 O ATOM 665 CB ILE B 51 1.595 14.984 -0.789 1.00 0.00 C ATOM 666 CG1 ILE B 51 1.048 14.269 -2.027 1.00 0.00 C ATOM 667 CG2 ILE B 51 3.125 15.013 -0.774 1.00 0.00 C ATOM 668 CD1 ILE B 51 1.687 12.887 -2.188 1.00 0.00 C ATOM 0 H ILE B 51 2.808 15.057 1.385 1.00 0.00 H new ATOM 0 HA ILE B 51 0.176 14.958 0.764 1.00 0.00 H new ATOM 0 HB ILE B 51 1.254 16.018 -0.837 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -0.034 14.166 -1.944 1.00 0.00 H new ATOM 0 HG13 ILE B 51 1.244 14.870 -2.915 1.00 0.00 H new ATOM 0 HG21 ILE B 51 3.489 15.463 -1.698 1.00 0.00 H new ATOM 0 HG22 ILE B 51 3.469 15.601 0.076 1.00 0.00 H new ATOM 0 HG23 ILE B 51 3.507 13.996 -0.690 1.00 0.00 H new ATOM 0 HD11 ILE B 51 1.282 12.400 -3.075 1.00 0.00 H new ATOM 0 HD12 ILE B 51 2.766 12.995 -2.295 1.00 0.00 H new ATOM 0 HD13 ILE B 51 1.469 12.281 -1.309 1.00 0.00 H new ATOM 669 N TYR B 52 1.496 11.991 0.457 1.00 0.00 N ATOM 670 CA TYR B 52 1.179 10.580 0.316 1.00 0.00 C ATOM 671 C TYR B 52 -0.218 10.275 0.859 1.00 0.00 C ATOM 672 O TYR B 52 -1.047 9.696 0.159 1.00 0.00 O ATOM 673 CB TYR B 52 2.215 9.829 1.156 1.00 0.00 C ATOM 674 CG TYR B 52 3.399 9.294 0.349 1.00 0.00 C ATOM 675 CD1 TYR B 52 3.303 9.175 -1.022 1.00 0.00 C ATOM 676 CD2 TYR B 52 4.565 8.932 0.994 1.00 0.00 C ATOM 677 CE1 TYR B 52 4.419 8.672 -1.780 1.00 0.00 C ATOM 678 CE2 TYR B 52 5.681 8.429 0.235 1.00 0.00 C ATOM 679 CZ TYR B 52 5.552 8.323 -1.115 1.00 0.00 C ATOM 680 OH TYR B 52 6.606 7.848 -1.831 1.00 0.00 O ATOM 0 H TYR B 52 2.474 12.189 0.667 1.00 0.00 H new ATOM 0 HA TYR B 52 1.198 10.285 -0.733 1.00 0.00 H new ATOM 0 HB2 TYR B 52 2.589 10.495 1.933 1.00 0.00 H new ATOM 0 HB3 TYR B 52 1.725 8.995 1.659 1.00 0.00 H new ATOM 0 HD1 TYR B 52 2.391 9.459 -1.526 1.00 0.00 H new ATOM 0 HD2 TYR B 52 4.640 9.026 2.067 1.00 0.00 H new ATOM 0 HE1 TYR B 52 4.357 8.574 -2.854 1.00 0.00 H new ATOM 0 HE2 TYR B 52 6.599 8.143 0.726 1.00 0.00 H new ATOM 0 HH TYR B 52 7.413 7.866 -1.276 1.00 0.00 H new ATOM 681 N GLN B 53 -0.437 10.680 2.102 1.00 0.00 N ATOM 682 CA GLN B 53 -1.719 10.457 2.748 1.00 0.00 C ATOM 683 C GLN B 53 -2.859 10.652 1.745 1.00 0.00 C ATOM 684 O GLN B 53 -3.867 9.950 1.800 1.00 0.00 O ATOM 685 CB GLN B 53 -1.891 11.375 3.958 1.00 0.00 C ATOM 686 CG GLN B 53 -3.296 11.248 4.549 1.00 0.00 C ATOM 687 CD GLN B 53 -4.161 12.454 4.175 1.00 0.00 C ATOM 688 OE1 GLN B 53 -5.257 12.327 3.655 1.00 0.00 O ATOM 689 NE2 GLN B 53 -3.607 13.627 4.466 1.00 0.00 N ATOM 0 H GLN B 53 0.253 11.162 2.679 1.00 0.00 H new ATOM 0 HA GLN B 53 -1.748 9.428 3.108 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -1.150 11.125 4.717 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -1.709 12.408 3.663 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -3.765 10.333 4.187 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -3.232 11.165 5.634 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -2.685 13.662 4.901 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -4.104 14.492 4.254 1.00 0.00 H new ATOM 690 N ILE B 54 -2.660 11.611 0.851 1.00 0.00 N ATOM 691 CA ILE B 54 -3.659 11.908 -0.161 1.00 0.00 C ATOM 692 C ILE B 54 -4.317 10.604 -0.620 1.00 0.00 C ATOM 693 O ILE B 54 -5.485 10.357 -0.325 1.00 0.00 O ATOM 694 CB ILE B 54 -3.040 12.719 -1.301 1.00 0.00 C ATOM 695 CG1 ILE B 54 -1.848 11.982 -1.915 1.00 0.00 C ATOM 696 CG2 ILE B 54 -2.665 14.126 -0.832 1.00 0.00 C ATOM 697 CD1 ILE B 54 -2.226 11.349 -3.256 1.00 0.00 C ATOM 0 H ILE B 54 -1.822 12.191 0.807 1.00 0.00 H new ATOM 0 HA ILE B 54 -4.448 12.535 0.254 1.00 0.00 H new ATOM 0 HB ILE B 54 -3.788 12.830 -2.086 1.00 0.00 H new ATOM 0 HG12 ILE B 54 -1.020 12.677 -2.057 1.00 0.00 H new ATOM 0 HG13 ILE B 54 -1.501 11.209 -1.229 1.00 0.00 H new ATOM 0 HG21 ILE B 54 -2.227 14.681 -1.661 1.00 0.00 H new ATOM 0 HG22 ILE B 54 -3.558 14.643 -0.481 1.00 0.00 H new ATOM 0 HG23 ILE B 54 -1.942 14.058 -0.019 1.00 0.00 H new ATOM 0 HD11 ILE B 54 -1.361 10.832 -3.671 1.00 0.00 H new ATOM 0 HD12 ILE B 54 -3.037 10.637 -3.106 1.00 0.00 H new ATOM 0 HD13 ILE B 54 -2.549 12.127 -3.947 1.00 0.00 H new ATOM 698 N ALA B 55 -3.538 9.805 -1.335 1.00 0.00 N ATOM 699 CA ALA B 55 -4.029 8.535 -1.838 1.00 0.00 C ATOM 700 C ALA B 55 -4.253 7.579 -0.664 1.00 0.00 C ATOM 701 O ALA B 55 -4.287 8.004 0.490 1.00 0.00 O ATOM 702 CB ALA B 55 -3.044 7.976 -2.865 1.00 0.00 C ATOM 0 H ALA B 55 -2.570 10.014 -1.578 1.00 0.00 H new ATOM 0 HA ALA B 55 -4.986 8.667 -2.344 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -3.414 7.022 -3.242 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -2.943 8.679 -3.692 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -2.072 7.828 -2.394 1.00 0.00 H new ATOM 703 N LYS B 56 -4.399 6.305 -0.999 1.00 0.00 N ATOM 704 CA LYS B 56 -4.618 5.286 0.013 1.00 0.00 C ATOM 705 C LYS B 56 -4.755 3.921 -0.665 1.00 0.00 C ATOM 706 O LYS B 56 -3.770 3.202 -0.825 1.00 0.00 O ATOM 707 CB LYS B 56 -5.811 5.656 0.897 1.00 0.00 C ATOM 708 CG LYS B 56 -6.808 6.530 0.134 1.00 0.00 C ATOM 709 CD LYS B 56 -6.940 7.908 0.786 1.00 0.00 C ATOM 710 CE LYS B 56 -8.393 8.197 1.167 1.00 0.00 C ATOM 711 NZ LYS B 56 -8.488 8.575 2.595 1.00 0.00 N ATOM 0 H LYS B 56 -4.370 5.956 -1.957 1.00 0.00 H new ATOM 0 HA LYS B 56 -3.761 5.225 0.684 1.00 0.00 H new ATOM 0 HB2 LYS B 56 -6.307 4.749 1.243 1.00 0.00 H new ATOM 0 HB3 LYS B 56 -5.461 6.186 1.783 1.00 0.00 H new ATOM 0 HG2 LYS B 56 -6.482 6.643 -0.900 1.00 0.00 H new ATOM 0 HG3 LYS B 56 -7.782 6.041 0.109 1.00 0.00 H new ATOM 0 HD2 LYS B 56 -6.311 7.956 1.675 1.00 0.00 H new ATOM 0 HD3 LYS B 56 -6.581 8.675 0.100 1.00 0.00 H new ATOM 0 HE2 LYS B 56 -8.785 9.001 0.545 1.00 0.00 H new ATOM 0 HE3 LYS B 56 -9.007 7.317 0.976 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 -9.481 8.768 2.838 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 -8.133 7.796 3.185 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 -7.918 9.427 2.767 1.00 0.00 H new ATOM 712 N ASN B 57 -5.985 3.606 -1.046 1.00 0.00 N ATOM 713 CA ASN B 57 -6.262 2.341 -1.703 1.00 0.00 C ATOM 714 C ASN B 57 -5.585 2.323 -3.074 1.00 0.00 C ATOM 715 O ASN B 57 -5.017 1.309 -3.477 1.00 0.00 O ATOM 716 CB ASN B 57 -7.766 2.150 -1.917 1.00 0.00 C ATOM 717 CG ASN B 57 -8.275 0.921 -1.162 1.00 0.00 C ATOM 718 OD1 ASN B 57 -9.466 0.674 -1.057 1.00 0.00 O ATOM 719 ND2 ASN B 57 -7.310 0.166 -0.643 1.00 0.00 N ATOM 0 H ASN B 57 -6.800 4.205 -0.912 1.00 0.00 H new ATOM 0 HA ASN B 57 -5.882 1.541 -1.067 1.00 0.00 H new ATOM 0 HB2 ASN B 57 -8.301 3.037 -1.578 1.00 0.00 H new ATOM 0 HB3 ASN B 57 -7.974 2.040 -2.981 1.00 0.00 H new ATOM 0 HD21 ASN B 57 -7.548 -0.677 -0.120 1.00 0.00 H new ATOM 0 HD22 ASN B 57 -6.333 0.430 -0.768 1.00 0.00 H new ATOM 720 N LEU B 58 -5.666 3.457 -3.754 1.00 0.00 N ATOM 721 CA LEU B 58 -5.067 3.585 -5.071 1.00 0.00 C ATOM 722 C LEU B 58 -5.531 4.894 -5.713 1.00 0.00 C ATOM 723 O LEU B 58 -4.712 5.683 -6.184 1.00 0.00 O ATOM 724 CB LEU B 58 -5.365 2.346 -5.919 1.00 0.00 C ATOM 725 CG LEU B 58 -4.360 1.199 -5.806 1.00 0.00 C ATOM 726 CD1 LEU B 58 -4.362 0.342 -7.073 1.00 0.00 C ATOM 727 CD2 LEU B 58 -2.962 1.725 -5.473 1.00 0.00 C ATOM 0 H LEU B 58 -6.138 4.296 -3.417 1.00 0.00 H new ATOM 0 HA LEU B 58 -3.981 3.635 -4.991 1.00 0.00 H new ATOM 0 HB2 LEU B 58 -6.349 1.969 -5.642 1.00 0.00 H new ATOM 0 HB3 LEU B 58 -5.423 2.651 -6.964 1.00 0.00 H new ATOM 0 HG LEU B 58 -4.667 0.556 -4.981 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -3.639 -0.466 -6.967 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -5.356 -0.078 -7.226 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -4.093 0.959 -7.930 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -2.267 0.889 -5.398 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -2.631 2.403 -6.260 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -2.991 2.259 -4.523 1.00 0.00 H new ATOM 728 N PRO B 59 -6.877 5.090 -5.712 1.00 0.00 N ATOM 729 CA PRO B 59 -7.776 4.106 -5.135 1.00 0.00 C ATOM 730 C PRO B 59 -7.918 2.889 -6.052 1.00 0.00 C ATOM 731 O PRO B 59 -7.759 3.001 -7.266 1.00 0.00 O ATOM 732 CB PRO B 59 -9.086 4.846 -4.921 1.00 0.00 C ATOM 733 CG PRO B 59 -9.018 6.077 -5.810 1.00 0.00 C ATOM 734 CD PRO B 59 -7.576 6.250 -6.258 1.00 0.00 C ATOM 0 HA PRO B 59 -7.406 3.700 -4.193 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -9.937 4.219 -5.187 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -9.210 5.126 -3.875 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -9.674 5.962 -6.673 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -9.357 6.959 -5.267 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -7.500 6.283 -7.345 1.00 0.00 H new ATOM 0 HD3 PRO B 59 -7.153 7.181 -5.881 1.00 0.00 H new ATOM 735 N ASN B 60 -8.217 1.755 -5.435 1.00 0.00 N ATOM 736 CA ASN B 60 -8.383 0.519 -6.181 1.00 0.00 C ATOM 737 C ASN B 60 -8.060 -0.668 -5.271 1.00 0.00 C ATOM 738 O ASN B 60 -8.923 -1.502 -5.004 1.00 0.00 O ATOM 739 CB ASN B 60 -7.435 0.468 -7.380 1.00 0.00 C ATOM 740 CG ASN B 60 -8.165 0.839 -8.673 1.00 0.00 C ATOM 741 OD1 ASN B 60 -9.350 0.603 -8.837 1.00 0.00 O ATOM 742 ND2 ASN B 60 -7.392 1.432 -9.579 1.00 0.00 N ATOM 0 H ASN B 60 -8.349 1.666 -4.427 1.00 0.00 H new ATOM 0 HA ASN B 60 -9.413 0.474 -6.534 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -6.602 1.153 -7.219 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -7.012 -0.532 -7.471 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -7.785 1.719 -10.476 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -6.406 1.600 -9.377 1.00 0.00 H new ATOM 743 N VAL B 61 -6.815 -0.704 -4.821 1.00 0.00 N ATOM 744 CA VAL B 61 -6.367 -1.776 -3.946 1.00 0.00 C ATOM 745 C VAL B 61 -7.584 -2.523 -3.398 1.00 0.00 C ATOM 746 O VAL B 61 -8.005 -3.531 -3.964 1.00 0.00 O ATOM 747 CB VAL B 61 -5.467 -1.210 -2.845 1.00 0.00 C ATOM 748 CG1 VAL B 61 -5.483 -2.111 -1.609 1.00 0.00 C ATOM 749 CG2 VAL B 61 -4.039 -1.004 -3.356 1.00 0.00 C ATOM 0 H VAL B 61 -6.102 -0.009 -5.045 1.00 0.00 H new ATOM 0 HA VAL B 61 -5.766 -2.497 -4.501 1.00 0.00 H new ATOM 0 HB VAL B 61 -5.862 -0.236 -2.555 1.00 0.00 H new ATOM 0 HG11 VAL B 61 -4.836 -1.687 -0.841 1.00 0.00 H new ATOM 0 HG12 VAL B 61 -6.501 -2.185 -1.226 1.00 0.00 H new ATOM 0 HG13 VAL B 61 -5.124 -3.104 -1.878 1.00 0.00 H new ATOM 0 HG21 VAL B 61 -3.420 -0.601 -2.554 1.00 0.00 H new ATOM 0 HG22 VAL B 61 -3.629 -1.959 -3.686 1.00 0.00 H new ATOM 0 HG23 VAL B 61 -4.049 -0.305 -4.192 1.00 0.00 H new ATOM 750 N CYS B 62 -8.116 -2.001 -2.303 1.00 0.00 N ATOM 751 CA CYS B 62 -9.276 -2.607 -1.672 1.00 0.00 C ATOM 752 C CYS B 62 -10.529 -2.128 -2.410 1.00 0.00 C ATOM 753 O CYS B 62 -11.128 -2.881 -3.175 1.00 0.00 O ATOM 754 CB CYS B 62 -9.338 -2.287 -0.177 1.00 0.00 C ATOM 755 SG CYS B 62 -8.021 -3.063 0.828 1.00 0.00 S ATOM 0 H CYS B 62 -7.765 -1.165 -1.836 1.00 0.00 H new ATOM 0 HA CYS B 62 -9.206 -3.692 -1.742 1.00 0.00 H new ATOM 0 HB2 CYS B 62 -9.284 -1.206 -0.049 1.00 0.00 H new ATOM 0 HB3 CYS B 62 -10.306 -2.606 0.209 1.00 0.00 H new ATOM 756 N ASN B 63 -10.887 -0.878 -2.152 1.00 0.00 N ATOM 757 CA ASN B 63 -12.057 -0.291 -2.783 1.00 0.00 C ATOM 758 C ASN B 63 -13.319 -0.811 -2.091 1.00 0.00 C ATOM 759 O ASN B 63 -14.402 -0.794 -2.675 1.00 0.00 O ATOM 760 CB ASN B 63 -12.136 -0.673 -4.262 1.00 0.00 C ATOM 761 CG ASN B 63 -12.575 0.520 -5.114 1.00 0.00 C ATOM 762 OD1 ASN B 63 -13.614 0.510 -5.753 1.00 0.00 O ATOM 763 ND2 ASN B 63 -11.727 1.545 -5.087 1.00 0.00 N ATOM 0 H ASN B 63 -10.388 -0.257 -1.515 1.00 0.00 H new ATOM 0 HA ASN B 63 -11.979 0.793 -2.695 1.00 0.00 H new ATOM 0 HB2 ASN B 63 -11.163 -1.029 -4.602 1.00 0.00 H new ATOM 0 HB3 ASN B 63 -12.839 -1.496 -4.392 1.00 0.00 H new ATOM 0 HD21 ASN B 63 -11.930 2.389 -5.623 1.00 0.00 H new ATOM 0 HD22 ASN B 63 -10.874 1.487 -4.530 1.00 0.00 H new ATOM 764 N MET B 64 -13.137 -1.262 -0.859 1.00 0.00 N ATOM 765 CA MET B 64 -14.247 -1.786 -0.082 1.00 0.00 C ATOM 766 C MET B 64 -14.760 -0.743 0.914 1.00 0.00 C ATOM 767 O MET B 64 -14.257 -0.647 2.032 1.00 0.00 O ATOM 768 CB MET B 64 -13.795 -3.036 0.675 1.00 0.00 C ATOM 769 CG MET B 64 -14.007 -4.295 -0.169 1.00 0.00 C ATOM 770 SD MET B 64 -13.094 -5.660 0.530 1.00 0.00 S ATOM 771 CE MET B 64 -11.429 -5.166 0.115 1.00 0.00 C ATOM 0 H MET B 64 -12.237 -1.275 -0.379 1.00 0.00 H new ATOM 0 HA MET B 64 -15.058 -2.038 -0.766 1.00 0.00 H new ATOM 0 HB2 MET B 64 -12.742 -2.944 0.939 1.00 0.00 H new ATOM 0 HB3 MET B 64 -14.352 -3.121 1.608 1.00 0.00 H new ATOM 0 HG2 MET B 64 -15.068 -4.540 -0.211 1.00 0.00 H new ATOM 0 HG3 MET B 64 -13.681 -4.115 -1.193 1.00 0.00 H new ATOM 0 HE1 MET B 64 -10.843 -6.047 -0.146 1.00 0.00 H new ATOM 0 HE2 MET B 64 -11.453 -4.482 -0.733 1.00 0.00 H new ATOM 0 HE3 MET B 64 -10.973 -4.667 0.971 1.00 0.00 H new ATOM 772 N LYS B 65 -15.756 0.011 0.472 1.00 0.00 N ATOM 773 CA LYS B 65 -16.342 1.042 1.310 1.00 0.00 C ATOM 774 C LYS B 65 -16.899 0.403 2.584 1.00 0.00 C ATOM 775 O LYS B 65 -17.400 1.100 3.465 1.00 0.00 O ATOM 776 CB LYS B 65 -17.379 1.847 0.523 1.00 0.00 C ATOM 777 CG LYS B 65 -16.931 2.050 -0.926 1.00 0.00 C ATOM 778 CD LYS B 65 -17.394 3.408 -1.457 1.00 0.00 C ATOM 779 CE LYS B 65 -18.808 3.732 -0.975 1.00 0.00 C ATOM 780 NZ LYS B 65 -19.444 4.730 -1.865 1.00 0.00 N ATOM 0 H LYS B 65 -16.172 -0.072 -0.456 1.00 0.00 H new ATOM 0 HA LYS B 65 -15.581 1.759 1.618 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -18.338 1.329 0.542 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -17.531 2.815 1.000 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -15.845 1.982 -0.988 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -17.336 1.254 -1.551 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -16.706 4.186 -1.126 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -17.369 3.404 -2.547 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -19.408 2.822 -0.952 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -18.772 4.116 0.044 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -20.404 4.938 -1.523 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -18.880 5.604 -1.866 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -19.496 4.350 -2.832 1.00 0.00 H new ATOM 781 N GLN B 66 -16.791 -0.917 2.641 1.00 0.00 N ATOM 782 CA GLN B 66 -17.278 -1.658 3.792 1.00 0.00 C ATOM 783 C GLN B 66 -16.268 -1.579 4.939 1.00 0.00 C ATOM 784 O GLN B 66 -16.633 -1.264 6.072 1.00 0.00 O ATOM 785 CB GLN B 66 -17.574 -3.113 3.423 1.00 0.00 C ATOM 786 CG GLN B 66 -19.051 -3.300 3.073 1.00 0.00 C ATOM 787 CD GLN B 66 -19.684 -4.395 3.936 1.00 0.00 C ATOM 788 OE1 GLN B 66 -19.614 -5.575 3.636 1.00 0.00 O ATOM 789 NE2 GLN B 66 -20.304 -3.937 5.021 1.00 0.00 N ATOM 0 H GLN B 66 -16.374 -1.492 1.909 1.00 0.00 H new ATOM 0 HA GLN B 66 -18.212 -1.204 4.123 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -16.955 -3.410 2.576 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -17.309 -3.764 4.256 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -19.585 -2.361 3.220 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -19.149 -3.560 2.019 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -20.324 -2.935 5.212 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -20.759 -4.588 5.661 1.00 0.00 H new ATOM 790 N ILE B 67 -15.019 -1.868 4.607 1.00 0.00 N ATOM 791 CA ILE B 67 -13.954 -1.833 5.595 1.00 0.00 C ATOM 792 C ILE B 67 -13.190 -0.513 5.470 1.00 0.00 C ATOM 793 O ILE B 67 -13.159 0.281 6.408 1.00 0.00 O ATOM 794 CB ILE B 67 -13.065 -3.072 5.471 1.00 0.00 C ATOM 795 CG1 ILE B 67 -13.025 -3.854 6.785 1.00 0.00 C ATOM 796 CG2 ILE B 67 -11.665 -2.696 4.985 1.00 0.00 C ATOM 797 CD1 ILE B 67 -12.498 -5.273 6.564 1.00 0.00 C ATOM 0 H ILE B 67 -14.720 -2.128 3.667 1.00 0.00 H new ATOM 0 HA ILE B 67 -14.369 -1.867 6.602 1.00 0.00 H new ATOM 0 HB ILE B 67 -13.501 -3.730 4.719 1.00 0.00 H new ATOM 0 HG12 ILE B 67 -12.390 -3.334 7.502 1.00 0.00 H new ATOM 0 HG13 ILE B 67 -14.025 -3.897 7.217 1.00 0.00 H new ATOM 0 HG21 ILE B 67 -11.054 -3.595 4.906 1.00 0.00 H new ATOM 0 HG22 ILE B 67 -11.735 -2.218 4.008 1.00 0.00 H new ATOM 0 HG23 ILE B 67 -11.206 -2.007 5.694 1.00 0.00 H new ATOM 0 HD11 ILE B 67 -12.480 -5.807 7.514 1.00 0.00 H new ATOM 0 HD12 ILE B 67 -13.149 -5.798 5.865 1.00 0.00 H new ATOM 0 HD13 ILE B 67 -11.489 -5.227 6.155 1.00 0.00 H new ATOM 798 N GLY B 68 -12.593 -0.322 4.302 1.00 0.00 N ATOM 799 CA GLY B 68 -11.831 0.888 4.042 1.00 0.00 C ATOM 800 C GLY B 68 -10.600 0.587 3.186 1.00 0.00 C ATOM 801 O GLY B 68 -10.345 -0.567 2.843 1.00 0.00 O ATOM 0 H GLY B 68 -12.622 -0.984 3.526 1.00 0.00 H new ATOM 0 HA2 GLY B 68 -12.462 1.617 3.534 1.00 0.00 H new ATOM 0 HA3 GLY B 68 -11.521 1.337 4.986 1.00 0.00 H new ATOM 802 N THR B 69 -9.870 1.644 2.863 1.00 0.00 N ATOM 803 CA THR B 69 -8.671 1.507 2.053 1.00 0.00 C ATOM 804 C THR B 69 -7.422 1.552 2.936 1.00 0.00 C ATOM 805 O THR B 69 -7.481 2.008 4.078 1.00 0.00 O ATOM 806 CB THR B 69 -8.697 2.599 0.981 1.00 0.00 C ATOM 807 OG1 THR B 69 -7.361 2.632 0.488 1.00 0.00 O ATOM 808 CG2 THR B 69 -8.911 3.994 1.572 1.00 0.00 C ATOM 0 H THR B 69 -10.085 2.600 3.147 1.00 0.00 H new ATOM 0 HA THR B 69 -8.641 0.540 1.552 1.00 0.00 H new ATOM 0 HB THR B 69 -9.488 2.384 0.262 1.00 0.00 H new ATOM 0 HG1 THR B 69 -6.771 3.019 1.168 1.00 0.00 H new ATOM 0 HG21 THR B 69 -8.921 4.731 0.769 1.00 0.00 H new ATOM 0 HG22 THR B 69 -9.863 4.022 2.103 1.00 0.00 H new ATOM 0 HG23 THR B 69 -8.102 4.224 2.265 1.00 0.00 H new ATOM 809 N CYS B 70 -6.322 1.073 2.375 1.00 0.00 N ATOM 810 CA CYS B 70 -5.061 1.053 3.097 1.00 0.00 C ATOM 811 C CYS B 70 -3.989 0.471 2.174 1.00 0.00 C ATOM 812 O CYS B 70 -4.306 -0.193 1.189 1.00 0.00 O ATOM 813 CB CYS B 70 -5.173 0.271 4.407 1.00 0.00 C ATOM 814 SG CYS B 70 -4.965 1.278 5.921 1.00 0.00 S ATOM 0 H CYS B 70 -6.277 0.696 1.428 1.00 0.00 H new ATOM 0 HA CYS B 70 -4.783 2.069 3.379 1.00 0.00 H new ATOM 0 HB2 CYS B 70 -6.148 -0.215 4.442 1.00 0.00 H new ATOM 0 HB3 CYS B 70 -4.423 -0.520 4.407 1.00 0.00 H new