USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1078 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 126 ASN : amide:sc= -0.481 K(o=-0.73,f=-14!) USER MOD Set 1.2: A 129 LYS NZ :NH3+ 179:sc= -0.246 (180deg=0) USER MOD Set 2.1: A 71 CYS SG : rot -178:sc= -1.33 USER MOD Set 2.2: A 73 LYS NZ :NH3+ -123:sc= 0.0944 (180deg=0) USER MOD Set 3.1: A 65 LYS NZ :NH3+ -124:sc= 0.0624 (180deg=-0.0258) USER MOD Set 3.2: A 105 TYR OH : rot 100:sc= -2.19! USER MOD Set 4.1: A 49 GLN : amide:sc= -1.41 K(o=-8.8,f=-24!) USER MOD Set 4.2: A 70 MET CE :methyl 165:sc= -7.37! (180deg=-7.76!) USER MOD Set 5.1: A 12 GLN : amide:sc= -1.8 K(o=-12,f=-15!) USER MOD Set 5.2: A 40 HIS : no HD1:sc= -10! C(o=-12!,f=-14!) USER MOD Set 6.1: A 31 ASN : amide:sc= 0.437 K(o=0.32,f=-4.5!) USER MOD Set 6.2: A 33 LYS NZ :NH3+ -125:sc= -0.116 (180deg=-0.548) USER MOD Single : A 1 ALA N :NH3+ 167:sc= -0.0099 (180deg=-0.155) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 GLN :FLIP amide:sc= -0.568 F(o=-2.2,f=-0.57) USER MOD Single : A 8 MET CE :methyl 145:sc= -1.26 (180deg=-4.28!) USER MOD Single : A 9 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.213) USER MOD Single : A 11 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.11) USER MOD Single : A 25 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.065) USER MOD Single : A 26 TYR OH : rot 165:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.0206 USER MOD Single : A 50 MET CE :methyl -109:sc= -6.26! (180deg=-9.36!) USER MOD Single : A 53 HIS :FLIP no HD1:sc= -2.68 F(o=-3.3!,f=-2.7) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -3.69 X(o=-3.7,f=-3.8) USER MOD Single : A 78 THR OG1 : rot -92:sc= 0.615 USER MOD Single : A 81 THR OG1 : rot -110:sc= 0.113 USER MOD Single : A 83 LYS NZ :NH3+ -146:sc= -2.12 (180deg=-3.66!) USER MOD Single : A 92 GLN : amide:sc= -0.196 K(o=-0.2,f=-0.99!) USER MOD Single : A 100 CYS SG : rot 130:sc= -2.43 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN :FLIP amide:sc= -0.107 F(o=-0.73,f=-0.11) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.6!) USER MOD Single : A 118 THR OG1 : rot -73:sc= 1.17 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 114:sc= -1.2 USER MOD Single : A 123 MET CE :methyl 179:sc= -10.9! (180deg=-11.1!) USER MOD Single : A 125 GLN : amide:sc= -0.872 X(o=-0.87,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.954 26.654 5.667 1.00 0.00 N ATOM 2 CA ALA A 1 -4.911 25.976 6.478 1.00 0.00 C ATOM 3 C ALA A 1 -4.741 24.524 6.048 1.00 0.00 C ATOM 4 O ALA A 1 -4.464 23.650 6.870 1.00 0.00 O ATOM 5 CB ALA A 1 -5.263 26.051 7.957 1.00 0.00 C ATOM 0 H1 ALA A 1 -6.207 27.559 6.113 1.00 0.00 H new ATOM 0 H2 ALA A 1 -5.589 26.830 4.709 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.797 26.048 5.610 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.964 26.491 6.313 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.491 25.550 8.541 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.329 27.095 8.263 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.222 25.561 8.128 1.00 0.00 H new ATOM 13 N ARG A 2 -4.904 24.272 4.753 1.00 0.00 N ATOM 14 CA ARG A 2 -4.765 22.926 4.215 1.00 0.00 C ATOM 15 C ARG A 2 -3.381 22.367 4.518 1.00 0.00 C ATOM 16 O ARG A 2 -3.241 21.370 5.225 1.00 0.00 O ATOM 17 CB ARG A 2 -5.012 22.927 2.703 1.00 0.00 C ATOM 18 CG ARG A 2 -5.860 21.761 2.224 1.00 0.00 C ATOM 19 CD ARG A 2 -5.449 21.304 0.834 1.00 0.00 C ATOM 20 NE ARG A 2 -6.417 21.707 -0.184 1.00 0.00 N ATOM 21 CZ ARG A 2 -6.157 21.723 -1.489 1.00 0.00 C ATOM 22 NH1 ARG A 2 -4.962 21.361 -1.940 1.00 0.00 N ATOM 23 NH2 ARG A 2 -7.095 22.102 -2.347 1.00 0.00 N ATOM 0 H ARG A 2 -5.132 24.983 4.058 1.00 0.00 H new ATOM 0 HA ARG A 2 -5.509 22.289 4.693 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.502 23.860 2.424 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.052 22.904 2.187 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.766 20.930 2.923 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.910 22.053 2.216 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.472 21.720 0.590 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.344 20.219 0.825 1.00 0.00 H new ATOM 0 HE ARG A 2 -7.346 21.993 0.124 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.237 21.068 -1.285 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -4.769 21.375 -2.941 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.015 22.381 -2.006 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.896 22.114 -3.347 1.00 0.00 H new ATOM 37 N GLN A 3 -2.362 23.027 3.985 1.00 0.00 N ATOM 38 CA GLN A 3 -0.981 22.610 4.200 1.00 0.00 C ATOM 39 C GLN A 3 -0.684 22.482 5.692 1.00 0.00 C ATOM 40 O GLN A 3 0.113 21.643 6.107 1.00 0.00 O ATOM 41 CB GLN A 3 -0.021 23.614 3.554 1.00 0.00 C ATOM 42 CG GLN A 3 1.431 23.436 3.972 1.00 0.00 C ATOM 43 CD GLN A 3 2.375 23.358 2.788 1.00 0.00 C ATOM 44 OE1 GLN A 3 2.822 24.380 2.267 1.00 0.00 O ATOM 45 NE2 GLN A 3 2.684 22.140 2.358 1.00 0.00 N ATOM 0 H GLN A 3 -2.465 23.856 3.399 1.00 0.00 H new ATOM 0 HA GLN A 3 -0.838 21.634 3.736 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.091 23.522 2.470 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -0.341 24.624 3.810 1.00 0.00 H new ATOM 0 HG2 GLN A 3 1.725 24.268 4.612 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.525 22.527 4.567 1.00 0.00 H new ATOM 0 HE21 GLN A 3 2.290 21.321 2.820 1.00 0.00 H new ATOM 0 HE22 GLN A 3 3.315 22.024 1.565 1.00 0.00 H new ATOM 54 N GLN A 4 -1.335 23.317 6.492 1.00 0.00 N ATOM 55 CA GLN A 4 -1.145 23.290 7.937 1.00 0.00 C ATOM 56 C GLN A 4 -1.615 21.958 8.510 1.00 0.00 C ATOM 57 O GLN A 4 -1.004 21.416 9.431 1.00 0.00 O ATOM 58 CB GLN A 4 -1.902 24.444 8.594 1.00 0.00 C ATOM 59 CG GLN A 4 -1.512 25.809 8.050 1.00 0.00 C ATOM 60 CD GLN A 4 -0.035 26.107 8.228 1.00 0.00 C ATOM 61 OE1 GLN A 4 0.804 25.447 7.437 1.00 0.00 O flip ATOM 62 NE2 GLN A 4 0.349 26.922 9.068 1.00 0.00 N flip ATOM 0 H GLN A 4 -1.998 24.020 6.166 1.00 0.00 H new ATOM 0 HA GLN A 4 -0.082 23.404 8.148 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.972 24.296 8.450 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -1.720 24.424 9.668 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -1.764 25.860 6.991 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -2.097 26.578 8.554 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -0.329 27.407 9.655 1.00 0.00 H new ATOM 0 HE22 GLN A 4 1.345 27.112 9.176 1.00 0.00 H new ATOM 71 N GLU A 5 -2.698 21.430 7.948 1.00 0.00 N ATOM 72 CA GLU A 5 -3.243 20.154 8.395 1.00 0.00 C ATOM 73 C GLU A 5 -2.359 19.011 7.917 1.00 0.00 C ATOM 74 O GLU A 5 -1.871 18.209 8.716 1.00 0.00 O ATOM 75 CB GLU A 5 -4.671 19.962 7.876 1.00 0.00 C ATOM 76 CG GLU A 5 -5.461 21.256 7.756 1.00 0.00 C ATOM 77 CD GLU A 5 -6.923 21.082 8.113 1.00 0.00 C ATOM 78 OE1 GLU A 5 -7.626 20.335 7.401 1.00 0.00 O ATOM 79 OE2 GLU A 5 -7.368 21.695 9.107 1.00 0.00 O ATOM 0 H GLU A 5 -3.214 21.866 7.184 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.268 20.155 9.485 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.631 19.480 6.899 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.202 19.284 8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.019 22.009 8.408 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.382 21.632 6.736 1.00 0.00 H new ATOM 86 N ILE A 6 -2.147 18.954 6.610 1.00 0.00 N ATOM 87 CA ILE A 6 -1.309 17.925 6.013 1.00 0.00 C ATOM 88 C ILE A 6 0.108 18.022 6.548 1.00 0.00 C ATOM 89 O ILE A 6 0.634 17.081 7.142 1.00 0.00 O ATOM 90 CB ILE A 6 -1.261 18.068 4.476 1.00 0.00 C ATOM 91 CG1 ILE A 6 -2.647 17.844 3.879 1.00 0.00 C ATOM 92 CG2 ILE A 6 -0.250 17.106 3.870 1.00 0.00 C ATOM 93 CD1 ILE A 6 -3.444 19.120 3.756 1.00 0.00 C ATOM 0 H ILE A 6 -2.546 19.612 5.940 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.744 16.960 6.273 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.941 19.082 4.237 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.544 17.389 2.894 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.196 17.137 4.501 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.236 17.227 2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.741 17.319 4.272 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.529 16.082 4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.421 18.899 3.325 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.575 19.564 4.743 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.913 19.820 3.111 1.00 0.00 H new ATOM 105 N ASP A 7 0.715 19.178 6.318 1.00 0.00 N ATOM 106 CA ASP A 7 2.079 19.445 6.752 1.00 0.00 C ATOM 107 C ASP A 7 2.982 18.234 6.529 1.00 0.00 C ATOM 108 O ASP A 7 3.371 17.552 7.479 1.00 0.00 O ATOM 109 CB ASP A 7 2.101 19.852 8.228 1.00 0.00 C ATOM 110 CG ASP A 7 3.310 20.696 8.576 1.00 0.00 C ATOM 111 OD1 ASP A 7 4.446 20.198 8.424 1.00 0.00 O ATOM 112 OD2 ASP A 7 3.123 21.856 9.000 1.00 0.00 O ATOM 0 H ASP A 7 0.276 19.956 5.826 1.00 0.00 H new ATOM 0 HA ASP A 7 2.463 20.268 6.150 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.193 20.408 8.462 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.095 18.956 8.849 1.00 0.00 H new ATOM 117 N MET A 8 3.310 17.970 5.268 1.00 0.00 N ATOM 118 CA MET A 8 4.163 16.838 4.920 1.00 0.00 C ATOM 119 C MET A 8 5.506 16.922 5.641 1.00 0.00 C ATOM 120 O MET A 8 5.702 16.291 6.680 1.00 0.00 O ATOM 121 CB MET A 8 4.376 16.781 3.406 1.00 0.00 C ATOM 122 CG MET A 8 3.268 16.055 2.662 1.00 0.00 C ATOM 123 SD MET A 8 3.032 16.678 0.986 1.00 0.00 S ATOM 124 CE MET A 8 1.720 17.870 1.251 1.00 0.00 C ATOM 0 H MET A 8 2.998 18.524 4.470 1.00 0.00 H new ATOM 0 HA MET A 8 3.663 15.924 5.241 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.456 17.797 3.020 1.00 0.00 H new ATOM 0 HB3 MET A 8 5.325 16.287 3.200 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.500 14.991 2.620 1.00 0.00 H new ATOM 0 HG3 MET A 8 2.336 16.156 3.218 1.00 0.00 H new ATOM 0 HE1 MET A 8 1.861 18.721 0.584 1.00 0.00 H new ATOM 0 HE2 MET A 8 0.757 17.403 1.045 1.00 0.00 H new ATOM 0 HE3 MET A 8 1.743 18.212 2.286 1.00 0.00 H new ATOM 134 N LYS A 9 6.428 17.702 5.086 1.00 0.00 N ATOM 135 CA LYS A 9 7.752 17.868 5.677 1.00 0.00 C ATOM 136 C LYS A 9 8.380 16.516 6.009 1.00 0.00 C ATOM 137 O LYS A 9 9.105 16.382 6.996 1.00 0.00 O ATOM 138 CB LYS A 9 7.660 18.729 6.939 1.00 0.00 C ATOM 139 CG LYS A 9 7.918 20.205 6.689 1.00 0.00 C ATOM 140 CD LYS A 9 7.937 20.994 7.987 1.00 0.00 C ATOM 141 CE LYS A 9 7.305 22.366 7.815 1.00 0.00 C ATOM 142 NZ LYS A 9 7.880 23.101 6.654 1.00 0.00 N ATOM 0 H LYS A 9 6.282 18.230 4.226 1.00 0.00 H new ATOM 0 HA LYS A 9 8.389 18.368 4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.669 18.611 7.377 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.379 18.362 7.672 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.871 20.327 6.174 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.146 20.604 6.031 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.402 20.440 8.758 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.965 21.107 8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.229 22.256 7.678 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.452 22.950 8.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.649 24.112 6.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.913 22.982 6.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.480 22.723 5.771 1.00 0.00 H new ATOM 156 N ARG A 10 8.093 15.516 5.183 1.00 0.00 N ATOM 157 CA ARG A 10 8.628 14.175 5.389 1.00 0.00 C ATOM 158 C ARG A 10 9.041 13.540 4.065 1.00 0.00 C ATOM 159 O ARG A 10 8.650 14.004 2.994 1.00 0.00 O ATOM 160 CB ARG A 10 7.592 13.296 6.093 1.00 0.00 C ATOM 161 CG ARG A 10 7.613 13.424 7.607 1.00 0.00 C ATOM 162 CD ARG A 10 6.209 13.526 8.183 1.00 0.00 C ATOM 163 NE ARG A 10 6.003 12.594 9.289 1.00 0.00 N ATOM 164 CZ ARG A 10 6.468 12.792 10.521 1.00 0.00 C ATOM 165 NH1 ARG A 10 7.157 13.888 10.812 1.00 0.00 N ATOM 166 NH2 ARG A 10 6.240 11.890 11.466 1.00 0.00 N ATOM 0 H ARG A 10 7.492 15.609 4.364 1.00 0.00 H new ATOM 0 HA ARG A 10 9.514 14.257 6.018 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.599 13.557 5.728 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.767 12.255 5.822 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.121 12.561 8.038 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.187 14.306 7.890 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.032 14.544 8.529 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.480 13.325 7.398 1.00 0.00 H new ATOM 0 HE ARG A 10 5.472 11.742 9.107 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.334 14.586 10.090 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.510 14.032 11.758 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.709 11.046 11.249 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.595 12.040 12.410 1.00 0.00 H new ATOM 180 N GLN A 11 9.831 12.474 4.148 1.00 0.00 N ATOM 181 CA GLN A 11 10.298 11.771 2.957 1.00 0.00 C ATOM 182 C GLN A 11 9.210 10.855 2.405 1.00 0.00 C ATOM 183 O GLN A 11 8.786 9.908 3.068 1.00 0.00 O ATOM 184 CB GLN A 11 11.552 10.957 3.279 1.00 0.00 C ATOM 185 CG GLN A 11 12.825 11.789 3.313 1.00 0.00 C ATOM 186 CD GLN A 11 12.943 12.622 4.573 1.00 0.00 C ATOM 187 OE1 GLN A 11 13.489 12.171 5.581 1.00 0.00 O ATOM 188 NE2 GLN A 11 12.432 13.847 4.523 1.00 0.00 N ATOM 0 H GLN A 11 10.162 12.078 5.028 1.00 0.00 H new ATOM 0 HA GLN A 11 10.541 12.515 2.198 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.421 10.469 4.245 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.663 10.167 2.536 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.689 11.128 3.236 1.00 0.00 H new ATOM 0 HG3 GLN A 11 12.848 12.446 2.444 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.988 14.180 3.667 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.483 14.455 5.341 1.00 0.00 H new ATOM 197 N GLN A 12 8.766 11.140 1.185 1.00 0.00 N ATOM 198 CA GLN A 12 7.728 10.341 0.543 1.00 0.00 C ATOM 199 C GLN A 12 8.330 9.126 -0.154 1.00 0.00 C ATOM 200 O GLN A 12 8.894 9.241 -1.243 1.00 0.00 O ATOM 201 CB GLN A 12 6.959 11.193 -0.468 1.00 0.00 C ATOM 202 CG GLN A 12 6.326 12.434 0.137 1.00 0.00 C ATOM 203 CD GLN A 12 5.444 12.118 1.328 1.00 0.00 C ATOM 204 OE1 GLN A 12 4.550 11.275 1.250 1.00 0.00 O ATOM 205 NE2 GLN A 12 5.691 12.796 2.443 1.00 0.00 N ATOM 0 H GLN A 12 9.109 11.918 0.621 1.00 0.00 H new ATOM 0 HA GLN A 12 7.042 9.991 1.314 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.637 11.494 -1.267 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.179 10.584 -0.925 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.111 13.125 0.444 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.734 12.943 -0.624 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.442 13.486 2.465 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.130 12.627 3.278 1.00 0.00 H new ATOM 214 N ARG A 13 8.201 7.959 0.472 1.00 0.00 N ATOM 215 CA ARG A 13 8.728 6.728 -0.098 1.00 0.00 C ATOM 216 C ARG A 13 7.608 5.719 -0.327 1.00 0.00 C ATOM 217 O ARG A 13 6.661 5.639 0.455 1.00 0.00 O ATOM 218 CB ARG A 13 9.796 6.126 0.815 1.00 0.00 C ATOM 219 CG ARG A 13 11.089 6.925 0.848 1.00 0.00 C ATOM 220 CD ARG A 13 12.180 6.261 0.022 1.00 0.00 C ATOM 221 NE ARG A 13 11.676 5.763 -1.257 1.00 0.00 N ATOM 222 CZ ARG A 13 11.484 6.531 -2.328 1.00 0.00 C ATOM 223 NH1 ARG A 13 11.752 7.830 -2.281 1.00 0.00 N ATOM 224 NH2 ARG A 13 11.024 5.996 -3.451 1.00 0.00 N ATOM 0 H ARG A 13 7.736 7.843 1.373 1.00 0.00 H new ATOM 0 HA ARG A 13 9.184 6.968 -1.059 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.398 6.053 1.827 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.014 5.111 0.484 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.906 7.930 0.468 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.426 7.030 1.879 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.983 6.976 -0.159 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.610 5.435 0.588 1.00 0.00 H new ATOM 0 HE ARG A 13 11.459 4.769 -1.333 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.108 8.247 -1.421 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.602 8.412 -3.105 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.818 4.998 -3.493 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.876 6.583 -4.272 1.00 0.00 H new ATOM 238 N PHE A 14 7.722 4.959 -1.408 1.00 0.00 N ATOM 239 CA PHE A 14 6.717 3.958 -1.750 1.00 0.00 C ATOM 240 C PHE A 14 7.363 2.586 -1.892 1.00 0.00 C ATOM 241 O PHE A 14 8.423 2.452 -2.504 1.00 0.00 O ATOM 242 CB PHE A 14 6.005 4.358 -3.048 1.00 0.00 C ATOM 243 CG PHE A 14 5.708 5.830 -3.129 1.00 0.00 C ATOM 244 CD1 PHE A 14 6.737 6.749 -3.274 1.00 0.00 C ATOM 245 CD2 PHE A 14 4.406 6.296 -3.045 1.00 0.00 C ATOM 246 CE1 PHE A 14 6.472 8.104 -3.334 1.00 0.00 C ATOM 247 CE2 PHE A 14 4.136 7.651 -3.104 1.00 0.00 C ATOM 248 CZ PHE A 14 5.170 8.555 -3.248 1.00 0.00 C ATOM 0 H PHE A 14 8.501 5.016 -2.064 1.00 0.00 H new ATOM 0 HA PHE A 14 5.980 3.906 -0.949 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.624 4.071 -3.898 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.072 3.800 -3.130 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.757 6.401 -3.341 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.593 5.594 -2.932 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.282 8.809 -3.448 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.117 8.002 -3.037 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.960 9.613 -3.293 1.00 0.00 H new ATOM 258 N PHE A 15 6.734 1.570 -1.308 1.00 0.00 N ATOM 259 CA PHE A 15 7.279 0.217 -1.365 1.00 0.00 C ATOM 260 C PHE A 15 6.205 -0.818 -1.687 1.00 0.00 C ATOM 261 O PHE A 15 5.026 -0.637 -1.375 1.00 0.00 O ATOM 262 CB PHE A 15 7.947 -0.139 -0.035 1.00 0.00 C ATOM 263 CG PHE A 15 8.717 0.993 0.579 1.00 0.00 C ATOM 264 CD1 PHE A 15 9.963 1.351 0.088 1.00 0.00 C ATOM 265 CD2 PHE A 15 8.193 1.701 1.647 1.00 0.00 C ATOM 266 CE1 PHE A 15 10.671 2.394 0.654 1.00 0.00 C ATOM 267 CE2 PHE A 15 8.894 2.744 2.215 1.00 0.00 C ATOM 268 CZ PHE A 15 10.135 3.092 1.719 1.00 0.00 C ATOM 0 H PHE A 15 5.856 1.655 -0.795 1.00 0.00 H new ATOM 0 HA PHE A 15 8.016 0.199 -2.167 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.182 -0.469 0.668 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.621 -0.981 -0.192 1.00 0.00 H new ATOM 0 HD1 PHE A 15 10.385 0.809 -0.746 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.223 1.433 2.040 1.00 0.00 H new ATOM 0 HE1 PHE A 15 11.642 2.663 0.264 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.473 3.288 3.047 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.686 3.908 2.163 1.00 0.00 H new ATOM 278 N ARG A 16 6.641 -1.913 -2.301 1.00 0.00 N ATOM 279 CA ARG A 16 5.760 -3.013 -2.668 1.00 0.00 C ATOM 280 C ARG A 16 6.533 -4.325 -2.628 1.00 0.00 C ATOM 281 O ARG A 16 7.707 -4.366 -2.995 1.00 0.00 O ATOM 282 CB ARG A 16 5.176 -2.791 -4.064 1.00 0.00 C ATOM 283 CG ARG A 16 4.284 -3.927 -4.543 1.00 0.00 C ATOM 284 CD ARG A 16 4.544 -4.264 -6.003 1.00 0.00 C ATOM 285 NE ARG A 16 5.067 -5.618 -6.169 1.00 0.00 N ATOM 286 CZ ARG A 16 5.651 -6.056 -7.281 1.00 0.00 C ATOM 287 NH1 ARG A 16 5.791 -5.251 -8.327 1.00 0.00 N ATOM 288 NH2 ARG A 16 6.097 -7.303 -7.348 1.00 0.00 N ATOM 0 H ARG A 16 7.617 -2.062 -2.558 1.00 0.00 H new ATOM 0 HA ARG A 16 4.938 -3.057 -1.954 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.601 -1.865 -4.064 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.993 -2.659 -4.773 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.457 -4.810 -3.928 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.238 -3.649 -4.414 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.618 -4.161 -6.569 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.253 -3.548 -6.419 1.00 0.00 H new ATOM 0 HE ARG A 16 4.979 -6.266 -5.386 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.450 -4.291 -8.281 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.240 -5.593 -9.177 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.992 -7.926 -6.547 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.545 -7.639 -8.200 1.00 0.00 H new ATOM 302 N ILE A 17 5.885 -5.395 -2.183 1.00 0.00 N ATOM 303 CA ILE A 17 6.551 -6.690 -2.105 1.00 0.00 C ATOM 304 C ILE A 17 5.594 -7.843 -2.395 1.00 0.00 C ATOM 305 O ILE A 17 4.531 -7.952 -1.780 1.00 0.00 O ATOM 306 CB ILE A 17 7.215 -6.913 -0.728 1.00 0.00 C ATOM 307 CG1 ILE A 17 6.369 -6.300 0.398 1.00 0.00 C ATOM 308 CG2 ILE A 17 8.619 -6.327 -0.727 1.00 0.00 C ATOM 309 CD1 ILE A 17 7.115 -6.149 1.710 1.00 0.00 C ATOM 0 H ILE A 17 4.913 -5.394 -1.875 1.00 0.00 H new ATOM 0 HA ILE A 17 7.325 -6.676 -2.872 1.00 0.00 H new ATOM 0 HB ILE A 17 7.282 -7.986 -0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.011 -5.321 0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.490 -6.924 0.560 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.080 -6.488 0.247 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.217 -6.814 -1.497 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.567 -5.258 -0.931 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.453 -5.710 2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.450 -7.128 2.053 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.979 -5.501 1.565 1.00 0.00 H new ATOM 321 N PRO A 18 5.965 -8.729 -3.344 1.00 0.00 N ATOM 322 CA PRO A 18 5.155 -9.881 -3.720 1.00 0.00 C ATOM 323 C PRO A 18 5.484 -11.108 -2.879 1.00 0.00 C ATOM 324 O PRO A 18 6.375 -11.884 -3.223 1.00 0.00 O ATOM 325 CB PRO A 18 5.579 -10.109 -5.166 1.00 0.00 C ATOM 326 CG PRO A 18 7.025 -9.739 -5.187 1.00 0.00 C ATOM 327 CD PRO A 18 7.215 -8.677 -4.129 1.00 0.00 C ATOM 0 HA PRO A 18 4.087 -9.714 -3.579 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.429 -11.146 -5.466 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.000 -9.492 -5.853 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.650 -10.608 -4.980 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.315 -9.364 -6.169 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.086 -8.884 -3.507 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.367 -7.693 -4.573 1.00 0.00 H new ATOM 335 N PHE A 19 4.771 -11.278 -1.772 1.00 0.00 N ATOM 336 CA PHE A 19 5.009 -12.415 -0.892 1.00 0.00 C ATOM 337 C PHE A 19 3.840 -13.392 -0.924 1.00 0.00 C ATOM 338 O PHE A 19 2.678 -12.993 -0.842 1.00 0.00 O ATOM 339 CB PHE A 19 5.260 -11.939 0.540 1.00 0.00 C ATOM 340 CG PHE A 19 4.075 -11.268 1.174 1.00 0.00 C ATOM 341 CD1 PHE A 19 3.030 -12.021 1.687 1.00 0.00 C ATOM 342 CD2 PHE A 19 4.005 -9.887 1.258 1.00 0.00 C ATOM 343 CE1 PHE A 19 1.939 -11.406 2.274 1.00 0.00 C ATOM 344 CE2 PHE A 19 2.918 -9.268 1.843 1.00 0.00 C ATOM 345 CZ PHE A 19 1.883 -10.029 2.351 1.00 0.00 C ATOM 0 H PHE A 19 4.029 -10.649 -1.464 1.00 0.00 H new ATOM 0 HA PHE A 19 5.896 -12.936 -1.252 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.551 -12.793 1.151 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.101 -11.246 0.540 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.068 -13.099 1.628 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.811 -9.287 0.861 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.132 -12.003 2.672 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.877 -8.190 1.903 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.031 -9.547 2.808 1.00 0.00 H new ATOM 355 N ILE A 20 4.160 -14.676 -1.041 1.00 0.00 N ATOM 356 CA ILE A 20 3.142 -15.715 -1.080 1.00 0.00 C ATOM 357 C ILE A 20 2.826 -16.212 0.320 1.00 0.00 C ATOM 358 O ILE A 20 3.715 -16.331 1.165 1.00 0.00 O ATOM 359 CB ILE A 20 3.586 -16.915 -1.940 1.00 0.00 C ATOM 360 CG1 ILE A 20 4.209 -16.432 -3.246 1.00 0.00 C ATOM 361 CG2 ILE A 20 2.409 -17.839 -2.219 1.00 0.00 C ATOM 362 CD1 ILE A 20 4.785 -17.551 -4.086 1.00 0.00 C ATOM 0 H ILE A 20 5.117 -15.021 -1.110 1.00 0.00 H new ATOM 0 HA ILE A 20 2.253 -15.268 -1.526 1.00 0.00 H new ATOM 0 HB ILE A 20 4.338 -17.477 -1.386 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.453 -15.903 -3.827 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.997 -15.714 -3.020 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.743 -18.680 -2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.006 -18.210 -1.277 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.634 -17.290 -2.753 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.212 -17.137 -5.000 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.563 -18.065 -3.522 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.995 -18.258 -4.342 1.00 0.00 H new ATOM 374 N ARG A 21 1.557 -16.509 0.564 1.00 0.00 N ATOM 375 CA ARG A 21 1.132 -17.001 1.865 1.00 0.00 C ATOM 376 C ARG A 21 1.853 -18.307 2.197 1.00 0.00 C ATOM 377 O ARG A 21 1.887 -19.226 1.380 1.00 0.00 O ATOM 378 CB ARG A 21 -0.384 -17.207 1.887 1.00 0.00 C ATOM 379 CG ARG A 21 -1.100 -16.316 2.887 1.00 0.00 C ATOM 380 CD ARG A 21 -2.599 -16.283 2.632 1.00 0.00 C ATOM 381 NE ARG A 21 -3.345 -15.857 3.813 1.00 0.00 N ATOM 382 CZ ARG A 21 -4.657 -16.028 3.963 1.00 0.00 C ATOM 383 NH1 ARG A 21 -5.370 -16.613 3.009 1.00 0.00 N ATOM 384 NH2 ARG A 21 -5.257 -15.610 5.070 1.00 0.00 N ATOM 0 H ARG A 21 0.806 -16.418 -0.121 1.00 0.00 H new ATOM 0 HA ARG A 21 1.391 -16.259 2.621 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.783 -17.016 0.891 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.598 -18.250 2.122 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.910 -16.676 3.898 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.698 -15.305 2.828 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.811 -15.605 1.805 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.937 -17.273 2.327 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.831 -15.402 4.567 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.913 -16.934 2.155 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.375 -16.741 3.129 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.713 -15.158 5.805 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.262 -15.741 5.186 1.00 0.00 H new ATOM 398 N PRO A 22 2.447 -18.408 3.399 1.00 0.00 N ATOM 399 CA PRO A 22 3.174 -19.610 3.819 1.00 0.00 C ATOM 400 C PRO A 22 2.341 -20.877 3.670 1.00 0.00 C ATOM 401 O PRO A 22 2.787 -21.861 3.081 1.00 0.00 O ATOM 402 CB PRO A 22 3.502 -19.349 5.298 1.00 0.00 C ATOM 403 CG PRO A 22 2.679 -18.167 5.691 1.00 0.00 C ATOM 404 CD PRO A 22 2.469 -17.371 4.438 1.00 0.00 C ATOM 0 HA PRO A 22 4.058 -19.778 3.203 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.260 -20.216 5.912 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.565 -19.149 5.434 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.726 -18.480 6.118 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.188 -17.573 6.450 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.537 -16.807 4.468 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.272 -16.652 4.276 1.00 0.00 H new ATOM 412 N ALA A 23 1.131 -20.846 4.211 1.00 0.00 N ATOM 413 CA ALA A 23 0.236 -21.994 4.145 1.00 0.00 C ATOM 414 C ALA A 23 0.043 -22.464 2.710 1.00 0.00 C ATOM 415 O ALA A 23 0.326 -23.614 2.379 1.00 0.00 O ATOM 416 CB ALA A 23 -1.107 -21.652 4.774 1.00 0.00 C ATOM 0 H ALA A 23 0.746 -20.038 4.701 1.00 0.00 H new ATOM 0 HA ALA A 23 0.693 -22.809 4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.766 -22.518 4.718 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.960 -21.375 5.818 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.558 -20.818 4.237 1.00 0.00 H new ATOM 422 N ASP A 24 -0.442 -21.566 1.866 1.00 0.00 N ATOM 423 CA ASP A 24 -0.682 -21.880 0.460 1.00 0.00 C ATOM 424 C ASP A 24 0.631 -22.158 -0.270 1.00 0.00 C ATOM 425 O ASP A 24 0.685 -22.976 -1.192 1.00 0.00 O ATOM 426 CB ASP A 24 -1.419 -20.726 -0.218 1.00 0.00 C ATOM 427 CG ASP A 24 -2.878 -20.652 0.191 1.00 0.00 C ATOM 428 OD1 ASP A 24 -3.695 -21.396 -0.390 1.00 0.00 O ATOM 429 OD2 ASP A 24 -3.200 -19.849 1.092 1.00 0.00 O ATOM 0 H ASP A 24 -0.679 -20.609 2.129 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.299 -22.778 0.413 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.926 -19.787 0.032 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.353 -20.842 -1.300 1.00 0.00 H new ATOM 434 N GLN A 25 1.683 -21.460 0.151 1.00 0.00 N ATOM 435 CA GLN A 25 3.006 -21.601 -0.449 1.00 0.00 C ATOM 436 C GLN A 25 3.428 -23.065 -0.533 1.00 0.00 C ATOM 437 O GLN A 25 3.781 -23.558 -1.604 1.00 0.00 O ATOM 438 CB GLN A 25 4.028 -20.786 0.361 1.00 0.00 C ATOM 439 CG GLN A 25 5.445 -21.345 0.343 1.00 0.00 C ATOM 440 CD GLN A 25 6.500 -20.258 0.381 1.00 0.00 C ATOM 441 OE1 GLN A 25 7.386 -20.265 1.237 1.00 0.00 O ATOM 442 NE2 GLN A 25 6.411 -19.314 -0.550 1.00 0.00 N ATOM 0 H GLN A 25 1.642 -20.784 0.914 1.00 0.00 H new ATOM 0 HA GLN A 25 2.966 -21.217 -1.468 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.049 -19.767 -0.026 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.688 -20.727 1.395 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.581 -22.008 1.197 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.582 -21.948 -0.554 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.661 -19.347 -1.240 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.093 -18.556 -0.575 1.00 0.00 H new ATOM 451 N TYR A 26 3.400 -23.749 0.601 1.00 0.00 N ATOM 452 CA TYR A 26 3.792 -25.155 0.646 1.00 0.00 C ATOM 453 C TYR A 26 2.585 -26.085 0.542 1.00 0.00 C ATOM 454 O TYR A 26 2.741 -27.287 0.331 1.00 0.00 O ATOM 455 CB TYR A 26 4.584 -25.462 1.921 1.00 0.00 C ATOM 456 CG TYR A 26 4.072 -24.758 3.153 1.00 0.00 C ATOM 457 CD1 TYR A 26 2.856 -25.111 3.723 1.00 0.00 C ATOM 458 CD2 TYR A 26 4.807 -23.742 3.750 1.00 0.00 C ATOM 459 CE1 TYR A 26 2.386 -24.471 4.851 1.00 0.00 C ATOM 460 CE2 TYR A 26 4.344 -23.096 4.881 1.00 0.00 C ATOM 461 CZ TYR A 26 3.133 -23.464 5.428 1.00 0.00 C ATOM 462 OH TYR A 26 2.669 -22.826 6.554 1.00 0.00 O ATOM 0 H TYR A 26 3.112 -23.359 1.499 1.00 0.00 H new ATOM 0 HA TYR A 26 4.431 -25.336 -0.219 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.565 -26.538 2.097 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.626 -25.183 1.764 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.269 -25.899 3.276 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.756 -23.452 3.324 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.437 -24.757 5.281 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.927 -22.308 5.333 1.00 0.00 H new ATOM 0 HH TYR A 26 3.400 -22.323 6.970 1.00 0.00 H new ATOM 472 N LYS A 27 1.384 -25.532 0.684 1.00 0.00 N ATOM 473 CA LYS A 27 0.170 -26.334 0.595 1.00 0.00 C ATOM 474 C LYS A 27 0.043 -26.960 -0.786 1.00 0.00 C ATOM 475 O LYS A 27 -0.208 -28.158 -0.917 1.00 0.00 O ATOM 476 CB LYS A 27 -1.062 -25.480 0.893 1.00 0.00 C ATOM 477 CG LYS A 27 -1.552 -25.594 2.327 1.00 0.00 C ATOM 478 CD LYS A 27 -2.298 -24.340 2.759 1.00 0.00 C ATOM 479 CE LYS A 27 -3.802 -24.537 2.693 1.00 0.00 C ATOM 480 NZ LYS A 27 -4.340 -25.144 3.942 1.00 0.00 N ATOM 0 H LYS A 27 1.227 -24.540 0.860 1.00 0.00 H new ATOM 0 HA LYS A 27 0.235 -27.129 1.338 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.830 -24.437 0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.867 -25.772 0.219 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.207 -26.460 2.422 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.704 -25.762 2.991 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.009 -24.076 3.776 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.011 -23.506 2.119 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.286 -23.576 2.519 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.047 -25.176 1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.370 -25.261 3.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.897 -26.073 4.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.129 -24.523 4.749 1.00 0.00 H new ATOM 494 N ASP A 28 0.218 -26.140 -1.817 1.00 0.00 N ATOM 495 CA ASP A 28 0.122 -26.619 -3.191 1.00 0.00 C ATOM 496 C ASP A 28 0.803 -25.653 -4.161 1.00 0.00 C ATOM 497 O ASP A 28 0.703 -24.436 -4.007 1.00 0.00 O ATOM 498 CB ASP A 28 -1.346 -26.809 -3.585 1.00 0.00 C ATOM 499 CG ASP A 28 -1.736 -28.271 -3.668 1.00 0.00 C ATOM 500 OD1 ASP A 28 -0.865 -29.101 -4.003 1.00 0.00 O ATOM 501 OD2 ASP A 28 -2.915 -28.586 -3.399 1.00 0.00 O ATOM 0 H ASP A 28 0.426 -25.145 -1.728 1.00 0.00 H new ATOM 0 HA ASP A 28 0.635 -27.579 -3.249 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.983 -26.306 -2.857 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.526 -26.332 -4.549 1.00 0.00 H new ATOM 506 N PRO A 29 1.503 -26.188 -5.179 1.00 0.00 N ATOM 507 CA PRO A 29 2.199 -25.369 -6.176 1.00 0.00 C ATOM 508 C PRO A 29 1.239 -24.694 -7.155 1.00 0.00 C ATOM 509 O PRO A 29 1.654 -23.886 -7.986 1.00 0.00 O ATOM 510 CB PRO A 29 3.082 -26.377 -6.906 1.00 0.00 C ATOM 511 CG PRO A 29 2.355 -27.666 -6.778 1.00 0.00 C ATOM 512 CD PRO A 29 1.671 -27.629 -5.439 1.00 0.00 C ATOM 0 HA PRO A 29 2.751 -24.550 -5.714 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.220 -26.101 -7.951 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.074 -26.434 -6.458 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.630 -27.786 -7.583 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.043 -28.509 -6.841 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.712 -28.147 -5.463 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.273 -28.109 -4.667 1.00 0.00 H new ATOM 520 N GLN A 30 -0.045 -25.025 -7.051 1.00 0.00 N ATOM 521 CA GLN A 30 -1.056 -24.447 -7.927 1.00 0.00 C ATOM 522 C GLN A 30 -1.931 -23.463 -7.160 1.00 0.00 C ATOM 523 O GLN A 30 -2.380 -22.456 -7.708 1.00 0.00 O ATOM 524 CB GLN A 30 -1.921 -25.548 -8.541 1.00 0.00 C ATOM 525 CG GLN A 30 -1.181 -26.415 -9.545 1.00 0.00 C ATOM 526 CD GLN A 30 -1.816 -27.781 -9.716 1.00 0.00 C ATOM 527 OE1 GLN A 30 -1.984 -28.526 -8.750 1.00 0.00 O ATOM 528 NE2 GLN A 30 -2.173 -28.117 -10.950 1.00 0.00 N ATOM 0 H GLN A 30 -0.409 -25.690 -6.369 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.548 -23.910 -8.728 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.309 -26.181 -7.743 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.781 -25.092 -9.032 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.156 -25.907 -10.509 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.147 -26.537 -9.222 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.015 -27.468 -11.721 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.605 -29.024 -11.127 1.00 0.00 H new ATOM 537 N ASN A 31 -2.165 -23.758 -5.886 1.00 0.00 N ATOM 538 CA ASN A 31 -2.981 -22.900 -5.037 1.00 0.00 C ATOM 539 C ASN A 31 -2.103 -21.981 -4.194 1.00 0.00 C ATOM 540 O ASN A 31 -2.473 -21.602 -3.083 1.00 0.00 O ATOM 541 CB ASN A 31 -3.875 -23.746 -4.128 1.00 0.00 C ATOM 542 CG ASN A 31 -4.999 -24.421 -4.890 1.00 0.00 C ATOM 543 OD1 ASN A 31 -5.437 -23.936 -5.934 1.00 0.00 O ATOM 544 ND2 ASN A 31 -5.472 -25.547 -4.370 1.00 0.00 N ATOM 0 H ASN A 31 -1.800 -24.587 -5.418 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.610 -22.285 -5.680 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.270 -24.504 -3.631 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.297 -23.113 -3.347 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.228 -26.046 -4.838 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.079 -25.913 -3.503 1.00 0.00 H new ATOM 551 N LYS A 32 -0.941 -21.629 -4.730 1.00 0.00 N ATOM 552 CA LYS A 32 -0.008 -20.756 -4.031 1.00 0.00 C ATOM 553 C LYS A 32 -0.594 -19.364 -3.853 1.00 0.00 C ATOM 554 O LYS A 32 -0.751 -18.879 -2.732 1.00 0.00 O ATOM 555 CB LYS A 32 1.305 -20.652 -4.800 1.00 0.00 C ATOM 556 CG LYS A 32 2.016 -21.979 -4.983 1.00 0.00 C ATOM 557 CD LYS A 32 3.120 -21.863 -6.018 1.00 0.00 C ATOM 558 CE LYS A 32 4.388 -22.567 -5.565 1.00 0.00 C ATOM 559 NZ LYS A 32 5.137 -23.156 -6.709 1.00 0.00 N ATOM 0 H LYS A 32 -0.622 -21.936 -5.649 1.00 0.00 H new ATOM 0 HA LYS A 32 0.179 -21.191 -3.049 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.107 -20.219 -5.780 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.969 -19.965 -4.275 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.437 -22.305 -4.032 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.300 -22.740 -5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.782 -22.292 -6.961 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.335 -20.811 -6.206 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.028 -21.859 -5.039 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.132 -23.354 -4.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.995 -23.627 -6.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.536 -23.851 -7.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.404 -22.402 -7.374 1.00 0.00 H new ATOM 573 N LYS A 33 -0.904 -18.726 -4.973 1.00 0.00 N ATOM 574 CA LYS A 33 -1.464 -17.382 -4.961 1.00 0.00 C ATOM 575 C LYS A 33 -0.474 -16.396 -4.351 1.00 0.00 C ATOM 576 O LYS A 33 -0.043 -16.558 -3.209 1.00 0.00 O ATOM 577 CB LYS A 33 -2.782 -17.364 -4.188 1.00 0.00 C ATOM 578 CG LYS A 33 -3.968 -17.823 -5.018 1.00 0.00 C ATOM 579 CD LYS A 33 -4.299 -19.284 -4.760 1.00 0.00 C ATOM 580 CE LYS A 33 -4.698 -19.997 -6.042 1.00 0.00 C ATOM 581 NZ LYS A 33 -5.756 -21.019 -5.804 1.00 0.00 N ATOM 0 H LYS A 33 -0.776 -19.120 -5.905 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.660 -17.079 -5.989 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.690 -18.005 -3.311 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.970 -16.353 -3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.836 -17.206 -4.786 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.749 -17.680 -6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.436 -19.782 -4.319 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.111 -19.352 -4.036 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.056 -19.266 -6.767 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.822 -20.477 -6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.435 -21.941 -6.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.945 -21.092 -4.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.627 -20.739 -6.298 1.00 0.00 H new ATOM 595 N LYS A 34 -0.105 -15.381 -5.127 1.00 0.00 N ATOM 596 CA LYS A 34 0.848 -14.377 -4.667 1.00 0.00 C ATOM 597 C LYS A 34 0.130 -13.122 -4.182 1.00 0.00 C ATOM 598 O LYS A 34 -0.743 -12.589 -4.866 1.00 0.00 O ATOM 599 CB LYS A 34 1.837 -14.001 -5.782 1.00 0.00 C ATOM 600 CG LYS A 34 2.043 -15.079 -6.844 1.00 0.00 C ATOM 601 CD LYS A 34 3.330 -15.859 -6.622 1.00 0.00 C ATOM 602 CE LYS A 34 4.546 -14.946 -6.573 1.00 0.00 C ATOM 603 NZ LYS A 34 5.519 -15.259 -7.657 1.00 0.00 N ATOM 0 H LYS A 34 -0.451 -15.232 -6.075 1.00 0.00 H new ATOM 0 HA LYS A 34 1.401 -14.813 -3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.485 -13.092 -6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.801 -13.767 -5.330 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.196 -15.766 -6.833 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.065 -14.616 -7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.259 -16.419 -5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.455 -16.588 -7.423 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.225 -13.908 -6.662 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.036 -15.046 -5.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.333 -14.615 -7.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.845 -16.241 -7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.059 -15.139 -8.582 1.00 0.00 H new ATOM 617 N GLY A 35 0.513 -12.650 -2.999 1.00 0.00 N ATOM 618 CA GLY A 35 -0.094 -11.456 -2.444 1.00 0.00 C ATOM 619 C GLY A 35 0.810 -10.245 -2.565 1.00 0.00 C ATOM 620 O GLY A 35 1.935 -10.248 -2.061 1.00 0.00 O ATOM 0 H GLY A 35 1.234 -13.075 -2.415 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.035 -11.257 -2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.332 -11.626 -1.394 1.00 0.00 H new ATOM 624 N TRP A 36 0.320 -9.210 -3.237 1.00 0.00 N ATOM 625 CA TRP A 36 1.092 -7.987 -3.427 1.00 0.00 C ATOM 626 C TRP A 36 0.696 -6.934 -2.401 1.00 0.00 C ATOM 627 O TRP A 36 -0.459 -6.514 -2.340 1.00 0.00 O ATOM 628 CB TRP A 36 0.890 -7.449 -4.843 1.00 0.00 C ATOM 629 CG TRP A 36 1.365 -8.396 -5.900 1.00 0.00 C ATOM 630 CD1 TRP A 36 2.660 -8.713 -6.186 1.00 0.00 C ATOM 631 CD2 TRP A 36 0.554 -9.150 -6.805 1.00 0.00 C ATOM 632 NE1 TRP A 36 2.705 -9.625 -7.213 1.00 0.00 N ATOM 633 CE2 TRP A 36 1.425 -9.908 -7.611 1.00 0.00 C ATOM 634 CE3 TRP A 36 -0.824 -9.260 -7.013 1.00 0.00 C ATOM 635 CZ2 TRP A 36 0.962 -10.765 -8.607 1.00 0.00 C ATOM 636 CZ3 TRP A 36 -1.283 -10.110 -8.002 1.00 0.00 C ATOM 637 CH2 TRP A 36 -0.392 -10.854 -8.787 1.00 0.00 C ATOM 0 H TRP A 36 -0.608 -9.193 -3.660 1.00 0.00 H new ATOM 0 HA TRP A 36 2.147 -8.222 -3.287 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.168 -7.240 -4.999 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.421 -6.502 -4.946 1.00 0.00 H new ATOM 0 HD1 TRP A 36 3.523 -8.307 -5.680 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.553 -10.026 -7.614 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.518 -8.691 -6.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.646 -11.338 -9.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.345 -10.202 -8.172 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.782 -11.511 -9.550 1.00 0.00 H new ATOM 648 N TRP A 37 1.664 -6.516 -1.594 1.00 0.00 N ATOM 649 CA TRP A 37 1.419 -5.517 -0.562 1.00 0.00 C ATOM 650 C TRP A 37 2.071 -4.185 -0.922 1.00 0.00 C ATOM 651 O TRP A 37 3.292 -4.093 -1.035 1.00 0.00 O ATOM 652 CB TRP A 37 1.958 -6.017 0.780 1.00 0.00 C ATOM 653 CG TRP A 37 1.589 -5.147 1.942 1.00 0.00 C ATOM 654 CD1 TRP A 37 0.333 -4.891 2.411 1.00 0.00 C ATOM 655 CD2 TRP A 37 2.489 -4.425 2.790 1.00 0.00 C ATOM 656 NE1 TRP A 37 0.398 -4.054 3.500 1.00 0.00 N ATOM 657 CE2 TRP A 37 1.710 -3.752 3.751 1.00 0.00 C ATOM 658 CE3 TRP A 37 3.879 -4.281 2.827 1.00 0.00 C ATOM 659 CZ2 TRP A 37 2.278 -2.951 4.740 1.00 0.00 C ATOM 660 CZ3 TRP A 37 4.440 -3.487 3.808 1.00 0.00 C ATOM 661 CH2 TRP A 37 3.641 -2.830 4.753 1.00 0.00 C ATOM 0 H TRP A 37 2.626 -6.854 -1.635 1.00 0.00 H new ATOM 0 HA TRP A 37 0.343 -5.359 -0.486 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.583 -7.025 0.959 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.044 -6.087 0.721 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.578 -5.288 1.989 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.401 -3.713 4.034 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.503 -4.782 2.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.664 -2.444 5.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.513 -3.371 3.847 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.110 -2.216 5.507 1.00 0.00 H new ATOM 672 N TYR A 38 1.246 -3.154 -1.091 1.00 0.00 N ATOM 673 CA TYR A 38 1.741 -1.821 -1.424 1.00 0.00 C ATOM 674 C TYR A 38 1.540 -0.874 -0.247 1.00 0.00 C ATOM 675 O TYR A 38 0.651 -1.078 0.579 1.00 0.00 O ATOM 676 CB TYR A 38 1.020 -1.260 -2.652 1.00 0.00 C ATOM 677 CG TYR A 38 1.093 -2.143 -3.877 1.00 0.00 C ATOM 678 CD1 TYR A 38 0.467 -3.381 -3.903 1.00 0.00 C ATOM 679 CD2 TYR A 38 1.777 -1.728 -5.015 1.00 0.00 C ATOM 680 CE1 TYR A 38 0.520 -4.184 -5.025 1.00 0.00 C ATOM 681 CE2 TYR A 38 1.835 -2.527 -6.141 1.00 0.00 C ATOM 682 CZ TYR A 38 1.205 -3.753 -6.141 1.00 0.00 C ATOM 683 OH TYR A 38 1.260 -4.551 -7.262 1.00 0.00 O ATOM 0 H TYR A 38 0.232 -3.216 -1.003 1.00 0.00 H new ATOM 0 HA TYR A 38 2.804 -1.906 -1.648 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.028 -1.096 -2.400 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.446 -0.286 -2.895 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.071 -3.722 -3.031 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.270 -0.767 -5.019 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.027 -5.145 -5.028 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.371 -2.192 -7.017 1.00 0.00 H new ATOM 0 HH TYR A 38 1.780 -4.100 -7.959 1.00 0.00 H new ATOM 693 N ALA A 39 2.366 0.163 -0.175 1.00 0.00 N ATOM 694 CA ALA A 39 2.265 1.134 0.906 1.00 0.00 C ATOM 695 C ALA A 39 3.149 2.346 0.653 1.00 0.00 C ATOM 696 O ALA A 39 4.361 2.224 0.479 1.00 0.00 O ATOM 697 CB ALA A 39 2.628 0.478 2.229 1.00 0.00 C ATOM 0 H ALA A 39 3.109 0.352 -0.848 1.00 0.00 H new ATOM 0 HA ALA A 39 1.234 1.484 0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.550 1.211 3.032 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.945 -0.349 2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.650 0.101 2.180 1.00 0.00 H new ATOM 703 N HIS A 40 2.529 3.519 0.660 1.00 0.00 N ATOM 704 CA HIS A 40 3.250 4.766 0.460 1.00 0.00 C ATOM 705 C HIS A 40 3.588 5.365 1.815 1.00 0.00 C ATOM 706 O HIS A 40 2.757 6.038 2.434 1.00 0.00 O ATOM 707 CB HIS A 40 2.413 5.741 -0.374 1.00 0.00 C ATOM 708 CG HIS A 40 2.956 7.141 -0.402 1.00 0.00 C ATOM 709 ND1 HIS A 40 2.245 8.214 -0.896 1.00 0.00 N ATOM 710 CD2 HIS A 40 4.145 7.640 0.012 1.00 0.00 C ATOM 711 CE1 HIS A 40 2.974 9.311 -0.785 1.00 0.00 C ATOM 712 NE2 HIS A 40 4.130 8.989 -0.237 1.00 0.00 N ATOM 0 H HIS A 40 1.525 3.631 0.803 1.00 0.00 H new ATOM 0 HA HIS A 40 4.173 4.571 -0.086 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.348 5.367 -1.396 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.398 5.764 0.022 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.955 7.080 0.456 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.674 10.302 -1.091 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.890 9.638 -0.032 1.00 0.00 H new ATOM 721 N PHE A 41 4.803 5.098 2.284 1.00 0.00 N ATOM 722 CA PHE A 41 5.239 5.593 3.577 1.00 0.00 C ATOM 723 C PHE A 41 5.564 7.084 3.523 1.00 0.00 C ATOM 724 O PHE A 41 5.831 7.641 2.459 1.00 0.00 O ATOM 725 CB PHE A 41 6.469 4.828 4.076 1.00 0.00 C ATOM 726 CG PHE A 41 6.193 3.424 4.530 1.00 0.00 C ATOM 727 CD1 PHE A 41 5.654 2.487 3.663 1.00 0.00 C ATOM 728 CD2 PHE A 41 6.486 3.039 5.830 1.00 0.00 C ATOM 729 CE1 PHE A 41 5.411 1.192 4.085 1.00 0.00 C ATOM 730 CE2 PHE A 41 6.243 1.748 6.257 1.00 0.00 C ATOM 731 CZ PHE A 41 5.705 0.825 5.384 1.00 0.00 C ATOM 0 H PHE A 41 5.499 4.543 1.786 1.00 0.00 H new ATOM 0 HA PHE A 41 4.413 5.436 4.270 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.210 4.798 3.277 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.914 5.382 4.903 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.421 2.771 2.647 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.909 3.757 6.517 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.992 0.469 3.400 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.474 1.462 7.272 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.514 -0.185 5.716 1.00 0.00 H new ATOM 741 N ASP A 42 5.556 7.713 4.694 1.00 0.00 N ATOM 742 CA ASP A 42 5.864 9.127 4.825 1.00 0.00 C ATOM 743 C ASP A 42 6.844 9.319 5.972 1.00 0.00 C ATOM 744 O ASP A 42 6.561 8.940 7.111 1.00 0.00 O ATOM 745 CB ASP A 42 4.589 9.935 5.077 1.00 0.00 C ATOM 746 CG ASP A 42 3.956 10.437 3.793 1.00 0.00 C ATOM 747 OD1 ASP A 42 3.696 9.608 2.896 1.00 0.00 O ATOM 748 OD2 ASP A 42 3.724 11.660 3.685 1.00 0.00 O ATOM 0 H ASP A 42 5.335 7.254 5.578 1.00 0.00 H new ATOM 0 HA ASP A 42 6.312 9.484 3.898 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.871 9.316 5.615 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.822 10.784 5.720 1.00 0.00 H new ATOM 753 N GLY A 43 8.012 9.875 5.673 1.00 0.00 N ATOM 754 CA GLY A 43 9.010 10.058 6.707 1.00 0.00 C ATOM 755 C GLY A 43 9.380 8.732 7.345 1.00 0.00 C ATOM 756 O GLY A 43 9.536 7.734 6.644 1.00 0.00 O ATOM 0 H GLY A 43 8.283 10.199 4.744 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.900 10.522 6.281 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.629 10.739 7.469 1.00 0.00 H new ATOM 760 N PRO A 44 9.517 8.680 8.676 1.00 0.00 N ATOM 761 CA PRO A 44 9.857 7.446 9.382 1.00 0.00 C ATOM 762 C PRO A 44 8.683 6.466 9.432 1.00 0.00 C ATOM 763 O PRO A 44 8.859 5.288 9.738 1.00 0.00 O ATOM 764 CB PRO A 44 10.219 7.921 10.802 1.00 0.00 C ATOM 765 CG PRO A 44 10.239 9.416 10.745 1.00 0.00 C ATOM 766 CD PRO A 44 9.348 9.805 9.602 1.00 0.00 C ATOM 0 HA PRO A 44 10.663 6.906 8.885 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.488 7.568 11.529 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.189 7.529 11.109 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.881 9.846 11.681 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.253 9.786 10.591 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.311 9.921 9.916 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.652 10.750 9.153 1.00 0.00 H new ATOM 774 N TRP A 45 7.482 6.969 9.156 1.00 0.00 N ATOM 775 CA TRP A 45 6.272 6.155 9.197 1.00 0.00 C ATOM 776 C TRP A 45 5.586 6.109 7.832 1.00 0.00 C ATOM 777 O TRP A 45 6.219 6.350 6.806 1.00 0.00 O ATOM 778 CB TRP A 45 5.335 6.728 10.258 1.00 0.00 C ATOM 779 CG TRP A 45 6.091 7.424 11.346 1.00 0.00 C ATOM 780 CD1 TRP A 45 6.620 8.681 11.303 1.00 0.00 C ATOM 781 CD2 TRP A 45 6.435 6.885 12.619 1.00 0.00 C ATOM 782 NE1 TRP A 45 7.267 8.957 12.481 1.00 0.00 N ATOM 783 CE2 TRP A 45 7.162 7.870 13.309 1.00 0.00 C ATOM 784 CE3 TRP A 45 6.190 5.666 13.240 1.00 0.00 C ATOM 785 CZ2 TRP A 45 7.649 7.667 14.600 1.00 0.00 C ATOM 786 CZ3 TRP A 45 6.672 5.460 14.519 1.00 0.00 C ATOM 787 CH2 TRP A 45 7.393 6.459 15.188 1.00 0.00 C ATOM 0 H TRP A 45 7.322 7.943 8.900 1.00 0.00 H new ATOM 0 HA TRP A 45 6.537 5.129 9.454 1.00 0.00 H new ATOM 0 HB2 TRP A 45 4.642 7.428 9.792 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.736 5.924 10.687 1.00 0.00 H new ATOM 0 HD1 TRP A 45 6.541 9.358 10.466 1.00 0.00 H new ATOM 0 HE1 TRP A 45 7.748 9.829 12.704 1.00 0.00 H new ATOM 0 HE3 TRP A 45 5.633 4.893 12.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 8.207 8.434 15.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.490 4.515 15.010 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.754 6.271 16.188 1.00 0.00 H new ATOM 798 N ILE A 46 4.292 5.786 7.823 1.00 0.00 N ATOM 799 CA ILE A 46 3.543 5.701 6.573 1.00 0.00 C ATOM 800 C ILE A 46 2.229 6.473 6.638 1.00 0.00 C ATOM 801 O ILE A 46 1.676 6.696 7.715 1.00 0.00 O ATOM 802 CB ILE A 46 3.272 4.232 6.183 1.00 0.00 C ATOM 803 CG1 ILE A 46 2.311 4.141 4.997 1.00 0.00 C ATOM 804 CG2 ILE A 46 2.727 3.462 7.370 1.00 0.00 C ATOM 805 CD1 ILE A 46 2.396 2.827 4.258 1.00 0.00 C ATOM 0 H ILE A 46 3.747 5.581 8.660 1.00 0.00 H new ATOM 0 HA ILE A 46 4.165 6.161 5.805 1.00 0.00 H new ATOM 0 HB ILE A 46 4.219 3.784 5.880 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.291 4.284 5.353 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.523 4.954 4.303 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.541 2.428 7.079 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.453 3.485 8.183 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.795 3.918 7.703 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.688 2.829 3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.406 2.691 3.872 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.155 2.011 4.939 1.00 0.00 H new ATOM 817 N ALA A 47 1.746 6.893 5.468 1.00 0.00 N ATOM 818 CA ALA A 47 0.510 7.656 5.378 1.00 0.00 C ATOM 819 C ALA A 47 -0.611 6.874 4.689 1.00 0.00 C ATOM 820 O ALA A 47 -1.778 7.022 5.057 1.00 0.00 O ATOM 821 CB ALA A 47 0.763 8.967 4.649 1.00 0.00 C ATOM 0 H ALA A 47 2.196 6.715 4.570 1.00 0.00 H new ATOM 0 HA ALA A 47 0.178 7.859 6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.166 9.533 4.585 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.506 9.549 5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.131 8.759 3.644 1.00 0.00 H new ATOM 827 N ARG A 48 -0.279 6.055 3.687 1.00 0.00 N ATOM 828 CA ARG A 48 -1.311 5.294 2.985 1.00 0.00 C ATOM 829 C ARG A 48 -0.769 3.980 2.435 1.00 0.00 C ATOM 830 O ARG A 48 0.436 3.827 2.236 1.00 0.00 O ATOM 831 CB ARG A 48 -1.906 6.128 1.850 1.00 0.00 C ATOM 832 CG ARG A 48 -0.866 6.889 1.042 1.00 0.00 C ATOM 833 CD ARG A 48 -1.156 6.822 -0.449 1.00 0.00 C ATOM 834 NE ARG A 48 -2.492 7.321 -0.768 1.00 0.00 N ATOM 835 CZ ARG A 48 -2.844 7.794 -1.962 1.00 0.00 C ATOM 836 NH1 ARG A 48 -1.969 7.819 -2.962 1.00 0.00 N ATOM 837 NH2 ARG A 48 -4.076 8.239 -2.160 1.00 0.00 N ATOM 0 H ARG A 48 0.672 5.905 3.351 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.092 5.057 3.708 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.463 5.471 1.182 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.620 6.838 2.268 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.846 7.931 1.363 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.123 6.476 1.240 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.412 7.406 -0.990 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.062 5.791 -0.791 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.198 7.306 -0.032 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.020 7.474 -2.818 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.247 8.183 -3.874 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.754 8.219 -1.398 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.347 8.602 -3.074 1.00 0.00 H new ATOM 851 N GLN A 49 -1.673 3.036 2.190 1.00 0.00 N ATOM 852 CA GLN A 49 -1.292 1.733 1.661 1.00 0.00 C ATOM 853 C GLN A 49 -2.484 1.014 1.042 1.00 0.00 C ATOM 854 O GLN A 49 -3.637 1.316 1.348 1.00 0.00 O ATOM 855 CB GLN A 49 -0.684 0.867 2.766 1.00 0.00 C ATOM 856 CG GLN A 49 -1.684 0.450 3.833 1.00 0.00 C ATOM 857 CD GLN A 49 -1.040 -0.329 4.960 1.00 0.00 C ATOM 858 OE1 GLN A 49 -0.497 0.250 5.901 1.00 0.00 O ATOM 859 NE2 GLN A 49 -1.100 -1.654 4.874 1.00 0.00 N ATOM 0 H GLN A 49 -2.674 3.150 2.350 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.549 1.898 0.881 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.250 -0.027 2.318 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.131 1.415 3.238 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.168 1.338 4.240 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.465 -0.157 3.376 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.560 -2.093 4.076 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.686 -2.232 5.606 1.00 0.00 H new ATOM 868 N MET A 50 -2.192 0.051 0.174 1.00 0.00 N ATOM 869 CA MET A 50 -3.230 -0.730 -0.488 1.00 0.00 C ATOM 870 C MET A 50 -2.885 -2.212 -0.451 1.00 0.00 C ATOM 871 O MET A 50 -1.828 -2.626 -0.928 1.00 0.00 O ATOM 872 CB MET A 50 -3.424 -0.276 -1.940 1.00 0.00 C ATOM 873 CG MET A 50 -2.265 0.538 -2.502 1.00 0.00 C ATOM 874 SD MET A 50 -2.009 0.254 -4.264 1.00 0.00 S ATOM 875 CE MET A 50 -3.699 0.142 -4.846 1.00 0.00 C ATOM 0 H MET A 50 -1.241 -0.208 -0.088 1.00 0.00 H new ATOM 0 HA MET A 50 -4.164 -0.567 0.050 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.573 -1.155 -2.567 1.00 0.00 H new ATOM 0 HB3 MET A 50 -4.335 0.319 -2.004 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.454 1.598 -2.332 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.353 0.286 -1.961 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.922 -0.889 -5.120 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.378 0.462 -4.056 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.827 0.785 -5.717 1.00 0.00 H new ATOM 885 N GLU A 51 -3.782 -3.009 0.117 1.00 0.00 N ATOM 886 CA GLU A 51 -3.567 -4.446 0.216 1.00 0.00 C ATOM 887 C GLU A 51 -4.127 -5.165 -1.010 1.00 0.00 C ATOM 888 O GLU A 51 -5.334 -5.155 -1.250 1.00 0.00 O ATOM 889 CB GLU A 51 -4.218 -4.991 1.490 1.00 0.00 C ATOM 890 CG GLU A 51 -3.230 -5.241 2.618 1.00 0.00 C ATOM 891 CD GLU A 51 -3.820 -4.948 3.985 1.00 0.00 C ATOM 892 OE1 GLU A 51 -4.903 -5.491 4.292 1.00 0.00 O ATOM 893 OE2 GLU A 51 -3.200 -4.177 4.746 1.00 0.00 O ATOM 0 H GLU A 51 -4.663 -2.685 0.515 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.493 -4.629 0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.976 -4.286 1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.732 -5.923 1.255 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.900 -6.279 2.584 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.347 -4.620 2.467 1.00 0.00 H new ATOM 900 N LEU A 52 -3.237 -5.787 -1.780 1.00 0.00 N ATOM 901 CA LEU A 52 -3.638 -6.513 -2.982 1.00 0.00 C ATOM 902 C LEU A 52 -3.268 -7.990 -2.876 1.00 0.00 C ATOM 903 O LEU A 52 -2.112 -8.363 -3.066 1.00 0.00 O ATOM 904 CB LEU A 52 -2.971 -5.902 -4.218 1.00 0.00 C ATOM 905 CG LEU A 52 -3.445 -4.494 -4.587 1.00 0.00 C ATOM 906 CD1 LEU A 52 -2.415 -3.799 -5.465 1.00 0.00 C ATOM 907 CD2 LEU A 52 -4.792 -4.553 -5.288 1.00 0.00 C ATOM 0 H LEU A 52 -2.234 -5.803 -1.593 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.721 -6.432 -3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.894 -5.874 -4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.146 -6.561 -5.068 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.560 -3.917 -3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.768 -2.799 -5.718 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.470 -3.725 -4.928 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.269 -4.374 -6.379 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.114 -3.543 -5.543 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.703 -5.146 -6.198 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.527 -5.012 -4.626 1.00 0.00 H new ATOM 919 N HIS A 53 -4.258 -8.825 -2.575 1.00 0.00 N ATOM 920 CA HIS A 53 -4.032 -10.260 -2.448 1.00 0.00 C ATOM 921 C HIS A 53 -5.129 -11.042 -3.169 1.00 0.00 C ATOM 922 O HIS A 53 -6.311 -10.717 -3.052 1.00 0.00 O ATOM 923 CB HIS A 53 -3.990 -10.664 -0.974 1.00 0.00 C ATOM 924 CG HIS A 53 -3.150 -9.759 -0.128 1.00 0.00 C ATOM 925 ND1 HIS A 53 -3.212 -8.422 0.073 1.00 0.00 N flip ATOM 926 CD2 HIS A 53 -2.092 -10.210 0.634 1.00 0.00 C flip ATOM 927 CE1 HIS A 53 -2.203 -8.092 0.944 1.00 0.00 C flip ATOM 928 NE2 HIS A 53 -1.543 -9.189 1.268 1.00 0.00 N flip ATOM 0 H HIS A 53 -5.222 -8.533 -2.415 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.072 -10.496 -2.908 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.006 -10.676 -0.580 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.606 -11.681 -0.896 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.764 -11.237 0.702 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -1.985 -7.098 1.305 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.745 -9.240 1.901 1.00 0.00 H new ATOM 937 N PRO A 54 -4.756 -12.092 -3.923 1.00 0.00 N ATOM 938 CA PRO A 54 -5.716 -12.920 -4.658 1.00 0.00 C ATOM 939 C PRO A 54 -6.857 -13.406 -3.770 1.00 0.00 C ATOM 940 O PRO A 54 -7.970 -13.634 -4.241 1.00 0.00 O ATOM 941 CB PRO A 54 -4.879 -14.107 -5.157 1.00 0.00 C ATOM 942 CG PRO A 54 -3.582 -14.015 -4.428 1.00 0.00 C ATOM 943 CD PRO A 54 -3.381 -12.562 -4.120 1.00 0.00 C ATOM 0 HA PRO A 54 -6.195 -12.362 -5.462 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.379 -15.054 -4.951 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.728 -14.055 -6.235 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.606 -14.608 -3.513 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.764 -14.401 -5.037 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.770 -12.416 -3.230 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.885 -12.038 -4.937 1.00 0.00 H new ATOM 951 N ASP A 55 -6.571 -13.557 -2.481 1.00 0.00 N ATOM 952 CA ASP A 55 -7.571 -14.011 -1.522 1.00 0.00 C ATOM 953 C ASP A 55 -8.214 -12.826 -0.807 1.00 0.00 C ATOM 954 O ASP A 55 -9.352 -12.911 -0.346 1.00 0.00 O ATOM 955 CB ASP A 55 -6.941 -14.961 -0.500 1.00 0.00 C ATOM 956 CG ASP A 55 -5.639 -14.430 0.072 1.00 0.00 C ATOM 957 OD1 ASP A 55 -5.230 -13.315 -0.314 1.00 0.00 O ATOM 958 OD2 ASP A 55 -5.029 -15.131 0.907 1.00 0.00 O ATOM 0 H ASP A 55 -5.653 -13.371 -2.076 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.346 -14.547 -2.070 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.647 -15.133 0.313 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.758 -15.926 -0.972 1.00 0.00 H new ATOM 963 N LYS A 56 -7.477 -11.721 -0.716 1.00 0.00 N ATOM 964 CA LYS A 56 -7.977 -10.521 -0.059 1.00 0.00 C ATOM 965 C LYS A 56 -8.171 -9.390 -1.070 1.00 0.00 C ATOM 966 O LYS A 56 -7.201 -8.877 -1.629 1.00 0.00 O ATOM 967 CB LYS A 56 -7.011 -10.075 1.041 1.00 0.00 C ATOM 968 CG LYS A 56 -6.487 -11.218 1.895 1.00 0.00 C ATOM 969 CD LYS A 56 -7.589 -11.834 2.740 1.00 0.00 C ATOM 970 CE LYS A 56 -7.080 -12.240 4.115 1.00 0.00 C ATOM 971 NZ LYS A 56 -8.020 -11.832 5.197 1.00 0.00 N ATOM 0 H LYS A 56 -6.532 -11.634 -1.090 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.942 -10.757 0.389 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.167 -9.559 0.584 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.515 -9.354 1.684 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.050 -11.982 1.253 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.691 -10.853 2.544 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.406 -11.121 2.850 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.995 -12.707 2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.938 -13.320 4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.105 -11.785 4.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.638 -12.126 6.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.136 -10.799 5.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.943 -12.286 5.044 1.00 0.00 H new ATOM 985 N PRO A 57 -9.432 -8.986 -1.324 1.00 0.00 N ATOM 986 CA PRO A 57 -9.738 -7.913 -2.274 1.00 0.00 C ATOM 987 C PRO A 57 -8.903 -6.660 -2.026 1.00 0.00 C ATOM 988 O PRO A 57 -8.145 -6.592 -1.059 1.00 0.00 O ATOM 989 CB PRO A 57 -11.220 -7.627 -2.022 1.00 0.00 C ATOM 990 CG PRO A 57 -11.765 -8.910 -1.497 1.00 0.00 C ATOM 991 CD PRO A 57 -10.654 -9.541 -0.706 1.00 0.00 C ATOM 0 HA PRO A 57 -9.514 -8.203 -3.301 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.351 -6.817 -1.304 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.727 -7.326 -2.939 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.639 -8.735 -0.870 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.082 -9.561 -2.311 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.720 -9.287 0.352 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.680 -10.629 -0.775 1.00 0.00 H new ATOM 999 N PRO A 58 -9.030 -5.649 -2.904 1.00 0.00 N ATOM 1000 CA PRO A 58 -8.280 -4.394 -2.779 1.00 0.00 C ATOM 1001 C PRO A 58 -8.594 -3.657 -1.480 1.00 0.00 C ATOM 1002 O PRO A 58 -9.367 -2.698 -1.471 1.00 0.00 O ATOM 1003 CB PRO A 58 -8.739 -3.568 -3.987 1.00 0.00 C ATOM 1004 CG PRO A 58 -9.330 -4.554 -4.935 1.00 0.00 C ATOM 1005 CD PRO A 58 -9.906 -5.650 -4.086 1.00 0.00 C ATOM 0 HA PRO A 58 -7.205 -4.570 -2.756 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.472 -2.816 -3.694 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.902 -3.038 -4.442 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.101 -4.090 -5.550 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.573 -4.944 -5.615 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.944 -5.451 -3.819 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.888 -6.611 -4.601 1.00 0.00 H new ATOM 1013 N ILE A 59 -7.987 -4.103 -0.386 1.00 0.00 N ATOM 1014 CA ILE A 59 -8.201 -3.477 0.911 1.00 0.00 C ATOM 1015 C ILE A 59 -7.406 -2.182 1.016 1.00 0.00 C ATOM 1016 O ILE A 59 -6.233 -2.186 1.391 1.00 0.00 O ATOM 1017 CB ILE A 59 -7.814 -4.420 2.068 1.00 0.00 C ATOM 1018 CG1 ILE A 59 -8.730 -5.642 2.075 1.00 0.00 C ATOM 1019 CG2 ILE A 59 -7.882 -3.694 3.407 1.00 0.00 C ATOM 1020 CD1 ILE A 59 -8.007 -6.933 2.393 1.00 0.00 C ATOM 0 H ILE A 59 -7.344 -4.895 -0.372 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.265 -3.256 0.994 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.786 -4.750 1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -9.523 -5.488 2.807 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -9.209 -5.733 1.100 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.605 -4.380 4.207 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.193 -2.849 3.398 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.897 -3.333 3.574 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -8.717 -7.760 2.381 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.232 -7.109 1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.551 -6.861 3.380 1.00 0.00 H new ATOM 1032 N LEU A 60 -8.056 -1.078 0.675 1.00 0.00 N ATOM 1033 CA LEU A 60 -7.419 0.233 0.719 1.00 0.00 C ATOM 1034 C LEU A 60 -7.294 0.731 2.154 1.00 0.00 C ATOM 1035 O LEU A 60 -8.283 1.115 2.779 1.00 0.00 O ATOM 1036 CB LEU A 60 -8.218 1.233 -0.117 1.00 0.00 C ATOM 1037 CG LEU A 60 -8.495 0.793 -1.557 1.00 0.00 C ATOM 1038 CD1 LEU A 60 -9.879 1.242 -1.997 1.00 0.00 C ATOM 1039 CD2 LEU A 60 -7.430 1.342 -2.495 1.00 0.00 C ATOM 0 H LEU A 60 -9.027 -1.063 0.364 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.416 0.139 0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.170 1.421 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.678 2.179 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.461 -0.296 -1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.057 0.920 -3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.630 0.800 -1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.944 2.329 -1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.642 1.020 -3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.433 2.431 -2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.452 0.969 -2.193 1.00 0.00 H new ATOM 1051 N LEU A 61 -6.069 0.723 2.671 1.00 0.00 N ATOM 1052 CA LEU A 61 -5.811 1.173 4.032 1.00 0.00 C ATOM 1053 C LEU A 61 -5.306 2.611 4.043 1.00 0.00 C ATOM 1054 O LEU A 61 -4.711 3.079 3.070 1.00 0.00 O ATOM 1055 CB LEU A 61 -4.796 0.250 4.711 1.00 0.00 C ATOM 1056 CG LEU A 61 -5.386 -0.689 5.765 1.00 0.00 C ATOM 1057 CD1 LEU A 61 -4.316 -1.624 6.306 1.00 0.00 C ATOM 1058 CD2 LEU A 61 -6.022 0.110 6.892 1.00 0.00 C ATOM 0 H LEU A 61 -5.240 0.409 2.166 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.749 1.137 4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.303 -0.350 3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.027 0.863 5.181 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.161 -1.294 5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.754 -2.284 7.054 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.908 -2.221 5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.518 -1.038 6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.437 -0.573 7.633 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.267 0.741 7.362 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.818 0.736 6.490 1.00 0.00 H new ATOM 1070 N VAL A 62 -5.546 3.310 5.147 1.00 0.00 N ATOM 1071 CA VAL A 62 -5.118 4.697 5.281 1.00 0.00 C ATOM 1072 C VAL A 62 -4.935 5.072 6.748 1.00 0.00 C ATOM 1073 O VAL A 62 -5.701 4.641 7.610 1.00 0.00 O ATOM 1074 CB VAL A 62 -6.129 5.661 4.624 1.00 0.00 C ATOM 1075 CG1 VAL A 62 -7.465 5.619 5.350 1.00 0.00 C ATOM 1076 CG2 VAL A 62 -5.574 7.076 4.587 1.00 0.00 C ATOM 0 H VAL A 62 -6.035 2.939 5.962 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.161 4.791 4.768 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.295 5.335 3.597 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.162 6.306 4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.868 4.607 5.311 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.323 5.914 6.390 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.301 7.740 4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.373 7.415 5.603 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.649 7.089 4.011 1.00 0.00 H new ATOM 1086 N ALA A 63 -3.912 5.873 7.027 1.00 0.00 N ATOM 1087 CA ALA A 63 -3.624 6.301 8.391 1.00 0.00 C ATOM 1088 C ALA A 63 -4.817 7.021 9.012 1.00 0.00 C ATOM 1089 O ALA A 63 -5.744 7.428 8.312 1.00 0.00 O ATOM 1090 CB ALA A 63 -2.394 7.196 8.415 1.00 0.00 C ATOM 0 H ALA A 63 -3.268 6.239 6.326 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.425 5.410 8.987 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.191 7.508 9.439 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.537 6.647 8.026 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.572 8.076 7.796 1.00 0.00 H new ATOM 1096 N GLY A 64 -4.785 7.171 10.334 1.00 0.00 N ATOM 1097 CA GLY A 64 -5.868 7.840 11.032 1.00 0.00 C ATOM 1098 C GLY A 64 -7.165 7.059 10.970 1.00 0.00 C ATOM 1099 O GLY A 64 -7.557 6.417 11.946 1.00 0.00 O ATOM 0 H GLY A 64 -4.028 6.841 10.933 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.587 7.990 12.074 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.021 8.828 10.598 1.00 0.00 H new ATOM 1103 N LYS A 65 -7.830 7.111 9.822 1.00 0.00 N ATOM 1104 CA LYS A 65 -9.091 6.401 9.631 1.00 0.00 C ATOM 1105 C LYS A 65 -8.937 4.922 9.971 1.00 0.00 C ATOM 1106 O LYS A 65 -9.582 4.412 10.887 1.00 0.00 O ATOM 1107 CB LYS A 65 -9.571 6.560 8.188 1.00 0.00 C ATOM 1108 CG LYS A 65 -11.052 6.884 8.071 1.00 0.00 C ATOM 1109 CD LYS A 65 -11.797 5.824 7.275 1.00 0.00 C ATOM 1110 CE LYS A 65 -13.206 5.616 7.806 1.00 0.00 C ATOM 1111 NZ LYS A 65 -14.121 5.085 6.761 1.00 0.00 N ATOM 0 H LYS A 65 -7.517 7.638 9.007 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.832 6.833 10.303 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.996 7.351 7.708 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.365 5.639 7.642 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.487 6.964 9.067 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.176 7.854 7.590 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.842 6.119 6.227 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.248 4.883 7.318 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.178 4.925 8.649 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.595 6.562 8.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -14.940 5.718 6.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.616 5.028 5.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.448 4.136 7.035 1.00 0.00 H new ATOM 1125 N ASP A 66 -8.070 4.242 9.229 1.00 0.00 N ATOM 1126 CA ASP A 66 -7.819 2.824 9.449 1.00 0.00 C ATOM 1127 C ASP A 66 -6.443 2.611 10.069 1.00 0.00 C ATOM 1128 O ASP A 66 -5.705 1.710 9.676 1.00 0.00 O ATOM 1129 CB ASP A 66 -7.929 2.056 8.133 1.00 0.00 C ATOM 1130 CG ASP A 66 -9.274 2.251 7.459 1.00 0.00 C ATOM 1131 OD1 ASP A 66 -10.067 3.086 7.945 1.00 0.00 O ATOM 1132 OD2 ASP A 66 -9.534 1.570 6.445 1.00 0.00 O ATOM 0 H ASP A 66 -7.528 4.652 8.468 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.571 2.446 10.141 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.137 2.382 7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.771 0.994 8.321 1.00 0.00 H new ATOM 1137 N ASP A 67 -6.109 3.456 11.042 1.00 0.00 N ATOM 1138 CA ASP A 67 -4.823 3.375 11.726 1.00 0.00 C ATOM 1139 C ASP A 67 -4.727 2.117 12.587 1.00 0.00 C ATOM 1140 O ASP A 67 -3.636 1.707 12.981 1.00 0.00 O ATOM 1141 CB ASP A 67 -4.608 4.617 12.593 1.00 0.00 C ATOM 1142 CG ASP A 67 -3.193 5.153 12.498 1.00 0.00 C ATOM 1143 OD1 ASP A 67 -2.245 4.370 12.721 1.00 0.00 O ATOM 1144 OD2 ASP A 67 -3.032 6.354 12.198 1.00 0.00 O ATOM 0 H ASP A 67 -6.714 4.207 11.374 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.044 3.325 10.966 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.309 5.394 12.289 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.832 4.374 13.632 1.00 0.00 H new ATOM 1149 N MET A 68 -5.874 1.506 12.878 1.00 0.00 N ATOM 1150 CA MET A 68 -5.908 0.300 13.692 1.00 0.00 C ATOM 1151 C MET A 68 -5.474 -0.911 12.877 1.00 0.00 C ATOM 1152 O MET A 68 -4.944 -1.880 13.421 1.00 0.00 O ATOM 1153 CB MET A 68 -7.314 0.075 14.253 1.00 0.00 C ATOM 1154 CG MET A 68 -7.774 1.172 15.201 1.00 0.00 C ATOM 1155 SD MET A 68 -8.379 0.528 16.773 1.00 0.00 S ATOM 1156 CE MET A 68 -7.005 0.926 17.852 1.00 0.00 C ATOM 0 H MET A 68 -6.789 1.828 12.561 1.00 0.00 H new ATOM 0 HA MET A 68 -5.213 0.429 14.521 1.00 0.00 H new ATOM 0 HB2 MET A 68 -8.019 0.003 13.425 1.00 0.00 H new ATOM 0 HB3 MET A 68 -7.338 -0.880 14.777 1.00 0.00 H new ATOM 0 HG2 MET A 68 -6.946 1.855 15.388 1.00 0.00 H new ATOM 0 HG3 MET A 68 -8.564 1.752 14.723 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.228 0.589 18.864 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.105 0.427 17.494 1.00 0.00 H new ATOM 0 HE3 MET A 68 -6.845 2.004 17.855 1.00 0.00 H new ATOM 1166 N GLU A 69 -5.700 -0.849 11.567 1.00 0.00 N ATOM 1167 CA GLU A 69 -5.326 -1.943 10.682 1.00 0.00 C ATOM 1168 C GLU A 69 -4.141 -1.559 9.797 1.00 0.00 C ATOM 1169 O GLU A 69 -3.407 -2.424 9.321 1.00 0.00 O ATOM 1170 CB GLU A 69 -6.513 -2.377 9.822 1.00 0.00 C ATOM 1171 CG GLU A 69 -7.345 -1.221 9.301 1.00 0.00 C ATOM 1172 CD GLU A 69 -8.659 -1.066 10.041 1.00 0.00 C ATOM 1173 OE1 GLU A 69 -8.707 -1.403 11.243 1.00 0.00 O ATOM 1174 OE2 GLU A 69 -9.640 -0.608 9.419 1.00 0.00 O ATOM 0 H GLU A 69 -6.138 -0.056 11.099 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.024 -2.784 11.307 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.144 -2.958 8.976 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.152 -3.038 10.408 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.772 -0.298 9.389 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.546 -1.372 8.240 1.00 0.00 H new ATOM 1181 N MET A 70 -3.956 -0.257 9.584 1.00 0.00 N ATOM 1182 CA MET A 70 -2.854 0.240 8.760 1.00 0.00 C ATOM 1183 C MET A 70 -1.526 -0.373 9.196 1.00 0.00 C ATOM 1184 O MET A 70 -1.466 -1.122 10.171 1.00 0.00 O ATOM 1185 CB MET A 70 -2.776 1.767 8.846 1.00 0.00 C ATOM 1186 CG MET A 70 -2.955 2.461 7.504 1.00 0.00 C ATOM 1187 SD MET A 70 -1.747 3.772 7.233 1.00 0.00 S ATOM 1188 CE MET A 70 -1.337 3.501 5.510 1.00 0.00 C ATOM 0 H MET A 70 -4.555 0.473 9.970 1.00 0.00 H new ATOM 0 HA MET A 70 -3.045 -0.052 7.727 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.541 2.124 9.535 1.00 0.00 H new ATOM 0 HB3 MET A 70 -1.811 2.050 9.267 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.872 1.725 6.705 1.00 0.00 H new ATOM 0 HG3 MET A 70 -3.959 2.881 7.447 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.816 4.374 5.118 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.694 2.625 5.422 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.251 3.338 4.940 1.00 0.00 H new ATOM 1198 N CYS A 71 -0.464 -0.046 8.469 1.00 0.00 N ATOM 1199 CA CYS A 71 0.864 -0.562 8.781 1.00 0.00 C ATOM 1200 C CYS A 71 1.214 -0.308 10.244 1.00 0.00 C ATOM 1201 O CYS A 71 1.336 -1.241 11.037 1.00 0.00 O ATOM 1202 CB CYS A 71 1.911 0.085 7.872 1.00 0.00 C ATOM 1203 SG CYS A 71 3.463 -0.834 7.765 1.00 0.00 S ATOM 0 H CYS A 71 -0.496 0.574 7.660 1.00 0.00 H new ATOM 0 HA CYS A 71 0.860 -1.638 8.609 1.00 0.00 H new ATOM 0 HB2 CYS A 71 1.493 0.189 6.871 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.121 1.091 8.236 1.00 0.00 H new ATOM 0 HG CYS A 71 4.296 -0.191 7.002 1.00 0.00 H new ATOM 1209 N GLU A 72 1.369 0.967 10.595 1.00 0.00 N ATOM 1210 CA GLU A 72 1.701 1.356 11.964 1.00 0.00 C ATOM 1211 C GLU A 72 3.151 1.012 12.309 1.00 0.00 C ATOM 1212 O GLU A 72 3.569 1.150 13.458 1.00 0.00 O ATOM 1213 CB GLU A 72 0.755 0.676 12.960 1.00 0.00 C ATOM 1214 CG GLU A 72 0.351 1.568 14.121 1.00 0.00 C ATOM 1215 CD GLU A 72 0.011 0.780 15.370 1.00 0.00 C ATOM 1216 OE1 GLU A 72 -1.135 0.294 15.473 1.00 0.00 O ATOM 1217 OE2 GLU A 72 0.892 0.649 16.247 1.00 0.00 O ATOM 0 H GLU A 72 1.270 1.750 9.949 1.00 0.00 H new ATOM 0 HA GLU A 72 1.581 2.437 12.035 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.142 0.352 12.433 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.236 -0.220 13.352 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.163 2.260 14.342 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.510 2.170 13.830 1.00 0.00 H new ATOM 1224 N LYS A 73 3.914 0.568 11.314 1.00 0.00 N ATOM 1225 CA LYS A 73 5.309 0.213 11.527 1.00 0.00 C ATOM 1226 C LYS A 73 6.238 1.224 10.866 1.00 0.00 C ATOM 1227 O LYS A 73 5.847 1.930 9.935 1.00 0.00 O ATOM 1228 CB LYS A 73 5.590 -1.184 10.977 1.00 0.00 C ATOM 1229 CG LYS A 73 4.967 -2.295 11.802 1.00 0.00 C ATOM 1230 CD LYS A 73 3.608 -2.701 11.256 1.00 0.00 C ATOM 1231 CE LYS A 73 3.616 -4.129 10.733 1.00 0.00 C ATOM 1232 NZ LYS A 73 3.690 -4.177 9.247 1.00 0.00 N ATOM 0 H LYS A 73 3.588 0.447 10.355 1.00 0.00 H new ATOM 0 HA LYS A 73 5.497 0.221 12.601 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.215 -1.246 9.956 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.668 -1.338 10.930 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.630 -3.160 11.809 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.861 -1.966 12.836 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.857 -2.605 12.040 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.320 -2.021 10.454 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.465 -4.665 11.156 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.715 -4.643 11.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.878 -4.711 8.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.670 -3.209 8.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.573 -4.644 8.958 1.00 0.00 H new ATOM 1246 N ASN A 74 7.474 1.282 11.349 1.00 0.00 N ATOM 1247 CA ASN A 74 8.468 2.195 10.805 1.00 0.00 C ATOM 1248 C ASN A 74 9.121 1.587 9.566 1.00 0.00 C ATOM 1249 O ASN A 74 8.938 0.403 9.279 1.00 0.00 O ATOM 1250 CB ASN A 74 9.527 2.516 11.863 1.00 0.00 C ATOM 1251 CG ASN A 74 10.340 3.752 11.525 1.00 0.00 C ATOM 1252 OD1 ASN A 74 11.344 3.672 10.817 1.00 0.00 O ATOM 1253 ND2 ASN A 74 9.912 4.907 12.030 1.00 0.00 N ATOM 0 H ASN A 74 7.811 0.704 12.119 1.00 0.00 H new ATOM 0 HA ASN A 74 7.972 3.122 10.517 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.039 2.660 12.827 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.198 1.663 11.970 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.421 5.769 11.835 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.075 4.930 12.612 1.00 0.00 H new ATOM 1260 N LEU A 75 9.870 2.400 8.829 1.00 0.00 N ATOM 1261 CA LEU A 75 10.534 1.935 7.614 1.00 0.00 C ATOM 1262 C LEU A 75 11.393 0.700 7.880 1.00 0.00 C ATOM 1263 O LEU A 75 11.254 -0.320 7.206 1.00 0.00 O ATOM 1264 CB LEU A 75 11.401 3.053 7.031 1.00 0.00 C ATOM 1265 CG LEU A 75 10.678 4.006 6.077 1.00 0.00 C ATOM 1266 CD1 LEU A 75 10.333 3.299 4.775 1.00 0.00 C ATOM 1267 CD2 LEU A 75 9.424 4.566 6.729 1.00 0.00 C ATOM 0 H LEU A 75 10.033 3.382 9.050 1.00 0.00 H new ATOM 0 HA LEU A 75 9.761 1.659 6.897 1.00 0.00 H new ATOM 0 HB2 LEU A 75 11.818 3.634 7.853 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.240 2.602 6.502 1.00 0.00 H new ATOM 0 HG LEU A 75 11.347 4.836 5.850 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.819 3.993 4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.248 2.948 4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.684 2.449 4.984 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.924 5.241 6.035 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.752 3.748 6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.696 5.111 7.633 1.00 0.00 H new ATOM 1279 N GLU A 76 12.286 0.803 8.858 1.00 0.00 N ATOM 1280 CA GLU A 76 13.176 -0.302 9.207 1.00 0.00 C ATOM 1281 C GLU A 76 12.419 -1.446 9.877 1.00 0.00 C ATOM 1282 O GLU A 76 12.789 -2.612 9.738 1.00 0.00 O ATOM 1283 CB GLU A 76 14.293 0.190 10.128 1.00 0.00 C ATOM 1284 CG GLU A 76 13.794 1.035 11.289 1.00 0.00 C ATOM 1285 CD GLU A 76 14.252 0.507 12.635 1.00 0.00 C ATOM 1286 OE1 GLU A 76 15.299 -0.172 12.681 1.00 0.00 O ATOM 1287 OE2 GLU A 76 13.563 0.772 13.643 1.00 0.00 O ATOM 0 H GLU A 76 12.414 1.641 9.425 1.00 0.00 H new ATOM 0 HA GLU A 76 13.608 -0.681 8.281 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.834 -0.671 10.522 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.004 0.774 9.544 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.146 2.059 11.166 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.705 1.068 11.268 1.00 0.00 H new ATOM 1294 N GLU A 77 11.365 -1.108 10.611 1.00 0.00 N ATOM 1295 CA GLU A 77 10.568 -2.109 11.313 1.00 0.00 C ATOM 1296 C GLU A 77 9.761 -2.961 10.341 1.00 0.00 C ATOM 1297 O GLU A 77 9.643 -4.174 10.515 1.00 0.00 O ATOM 1298 CB GLU A 77 9.631 -1.433 12.313 1.00 0.00 C ATOM 1299 CG GLU A 77 8.921 -2.410 13.237 1.00 0.00 C ATOM 1300 CD GLU A 77 8.320 -1.731 14.452 1.00 0.00 C ATOM 1301 OE1 GLU A 77 7.227 -1.140 14.321 1.00 0.00 O ATOM 1302 OE2 GLU A 77 8.939 -1.794 15.534 1.00 0.00 O ATOM 0 H GLU A 77 11.042 -0.149 10.736 1.00 0.00 H new ATOM 0 HA GLU A 77 11.255 -2.764 11.848 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.203 -0.727 12.915 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.886 -0.855 11.767 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.133 -2.920 12.684 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.627 -3.174 13.564 1.00 0.00 H new ATOM 1309 N THR A 78 9.199 -2.321 9.321 1.00 0.00 N ATOM 1310 CA THR A 78 8.394 -3.024 8.327 1.00 0.00 C ATOM 1311 C THR A 78 9.168 -4.181 7.705 1.00 0.00 C ATOM 1312 O THR A 78 8.940 -5.344 8.040 1.00 0.00 O ATOM 1313 CB THR A 78 7.933 -2.059 7.237 1.00 0.00 C ATOM 1314 OG1 THR A 78 8.769 -0.917 7.189 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.511 -1.580 7.431 1.00 0.00 C ATOM 0 H THR A 78 9.286 -1.317 9.160 1.00 0.00 H new ATOM 0 HA THR A 78 7.521 -3.433 8.835 1.00 0.00 H new ATOM 0 HB THR A 78 7.988 -2.624 6.307 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.396 -0.214 7.761 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.244 -0.898 6.624 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.835 -2.435 7.422 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.429 -1.062 8.386 1.00 0.00 H new ATOM 1323 N GLY A 79 10.084 -3.858 6.798 1.00 0.00 N ATOM 1324 CA GLY A 79 10.872 -4.888 6.148 1.00 0.00 C ATOM 1325 C GLY A 79 11.156 -4.585 4.689 1.00 0.00 C ATOM 1326 O GLY A 79 12.135 -5.079 4.129 1.00 0.00 O ATOM 0 H GLY A 79 10.294 -2.905 6.502 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.816 -5.005 6.680 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.346 -5.840 6.220 1.00 0.00 H new ATOM 1330 N LEU A 80 10.306 -3.769 4.068 1.00 0.00 N ATOM 1331 CA LEU A 80 10.488 -3.409 2.663 1.00 0.00 C ATOM 1332 C LEU A 80 11.884 -2.848 2.432 1.00 0.00 C ATOM 1333 O LEU A 80 12.589 -3.259 1.511 1.00 0.00 O ATOM 1334 CB LEU A 80 9.441 -2.378 2.234 1.00 0.00 C ATOM 1335 CG LEU A 80 7.986 -2.763 2.529 1.00 0.00 C ATOM 1336 CD1 LEU A 80 7.353 -1.766 3.489 1.00 0.00 C ATOM 1337 CD2 LEU A 80 7.179 -2.853 1.238 1.00 0.00 C ATOM 0 H LEU A 80 9.490 -3.347 4.512 1.00 0.00 H new ATOM 0 HA LEU A 80 10.365 -4.311 2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.658 -1.434 2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.544 -2.203 1.163 1.00 0.00 H new ATOM 0 HG LEU A 80 7.982 -3.745 3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.321 -2.056 3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.912 -1.756 4.425 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.372 -0.771 3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.150 -3.127 1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.192 -1.887 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.618 -3.609 0.587 1.00 0.00 H new ATOM 1349 N THR A 81 12.278 -1.908 3.283 1.00 0.00 N ATOM 1350 CA THR A 81 13.592 -1.287 3.185 1.00 0.00 C ATOM 1351 C THR A 81 14.691 -2.334 3.314 1.00 0.00 C ATOM 1352 O THR A 81 15.622 -2.375 2.508 1.00 0.00 O ATOM 1353 CB THR A 81 13.758 -0.219 4.267 1.00 0.00 C ATOM 1354 OG1 THR A 81 13.026 -0.563 5.429 1.00 0.00 O ATOM 1355 CG2 THR A 81 13.301 1.154 3.825 1.00 0.00 C ATOM 0 H THR A 81 11.704 -1.559 4.050 1.00 0.00 H new ATOM 0 HA THR A 81 13.674 -0.814 2.206 1.00 0.00 H new ATOM 0 HB THR A 81 14.828 -0.180 4.473 1.00 0.00 H new ATOM 0 HG1 THR A 81 12.267 0.049 5.530 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.446 1.865 4.638 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.883 1.470 2.959 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.245 1.118 3.558 1.00 0.00 H new ATOM 1363 N ARG A 82 14.575 -3.185 4.329 1.00 0.00 N ATOM 1364 CA ARG A 82 15.554 -4.239 4.559 1.00 0.00 C ATOM 1365 C ARG A 82 15.633 -5.171 3.355 1.00 0.00 C ATOM 1366 O ARG A 82 16.681 -5.748 3.070 1.00 0.00 O ATOM 1367 CB ARG A 82 15.192 -5.037 5.814 1.00 0.00 C ATOM 1368 CG ARG A 82 14.863 -4.166 7.017 1.00 0.00 C ATOM 1369 CD ARG A 82 15.962 -4.217 8.066 1.00 0.00 C ATOM 1370 NE ARG A 82 15.426 -4.383 9.414 1.00 0.00 N ATOM 1371 CZ ARG A 82 15.015 -5.548 9.910 1.00 0.00 C ATOM 1372 NH1 ARG A 82 15.080 -6.650 9.173 1.00 0.00 N ATOM 1373 NH2 ARG A 82 14.539 -5.612 11.145 1.00 0.00 N ATOM 0 H ARG A 82 13.812 -3.164 5.005 1.00 0.00 H new ATOM 0 HA ARG A 82 16.529 -3.773 4.704 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.337 -5.676 5.594 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.023 -5.694 6.069 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.718 -3.136 6.692 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.923 -4.496 7.459 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.639 -5.041 7.841 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.549 -3.300 8.020 1.00 0.00 H new ATOM 0 HE ARG A 82 15.363 -3.558 10.011 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.446 -6.607 8.222 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.764 -7.540 9.558 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.487 -4.768 11.716 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.224 -6.505 11.525 1.00 0.00 H new ATOM 1387 N LYS A 83 14.512 -5.311 2.652 1.00 0.00 N ATOM 1388 CA LYS A 83 14.450 -6.168 1.475 1.00 0.00 C ATOM 1389 C LYS A 83 15.399 -5.669 0.391 1.00 0.00 C ATOM 1390 O LYS A 83 16.051 -4.637 0.551 1.00 0.00 O ATOM 1391 CB LYS A 83 13.019 -6.224 0.936 1.00 0.00 C ATOM 1392 CG LYS A 83 12.549 -7.631 0.605 1.00 0.00 C ATOM 1393 CD LYS A 83 11.279 -7.616 -0.233 1.00 0.00 C ATOM 1394 CE LYS A 83 11.379 -8.569 -1.412 1.00 0.00 C ATOM 1395 NZ LYS A 83 10.039 -8.926 -1.955 1.00 0.00 N ATOM 0 H LYS A 83 13.635 -4.841 2.878 1.00 0.00 H new ATOM 0 HA LYS A 83 14.759 -7.172 1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.345 -5.788 1.673 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.953 -5.607 0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.335 -8.160 0.066 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.370 -8.182 1.528 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.428 -7.893 0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.093 -6.605 -0.596 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.979 -8.111 -2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.898 -9.476 -1.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.054 -9.907 -2.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.324 -8.833 -1.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.801 -8.287 -2.741 1.00 0.00 H new ATOM 1409 N ARG A 84 15.470 -6.404 -0.713 1.00 0.00 N ATOM 1410 CA ARG A 84 16.337 -6.031 -1.823 1.00 0.00 C ATOM 1411 C ARG A 84 15.615 -5.093 -2.783 1.00 0.00 C ATOM 1412 O ARG A 84 15.147 -5.512 -3.843 1.00 0.00 O ATOM 1413 CB ARG A 84 16.812 -7.280 -2.568 1.00 0.00 C ATOM 1414 CG ARG A 84 17.657 -8.213 -1.714 1.00 0.00 C ATOM 1415 CD ARG A 84 19.123 -8.165 -2.114 1.00 0.00 C ATOM 1416 NE ARG A 84 20.009 -8.417 -0.980 1.00 0.00 N ATOM 1417 CZ ARG A 84 20.314 -7.503 -0.060 1.00 0.00 C ATOM 1418 NH1 ARG A 84 19.811 -6.278 -0.138 1.00 0.00 N ATOM 1419 NH2 ARG A 84 21.128 -7.817 0.940 1.00 0.00 N ATOM 0 H ARG A 84 14.938 -7.261 -0.863 1.00 0.00 H new ATOM 0 HA ARG A 84 17.204 -5.509 -1.417 1.00 0.00 H new ATOM 0 HB2 ARG A 84 15.943 -7.825 -2.937 1.00 0.00 H new ATOM 0 HB3 ARG A 84 17.391 -6.975 -3.440 1.00 0.00 H new ATOM 0 HG2 ARG A 84 17.557 -7.937 -0.664 1.00 0.00 H new ATOM 0 HG3 ARG A 84 17.286 -9.233 -1.812 1.00 0.00 H new ATOM 0 HD2 ARG A 84 19.311 -8.905 -2.892 1.00 0.00 H new ATOM 0 HD3 ARG A 84 19.350 -7.188 -2.541 1.00 0.00 H new ATOM 0 HE ARG A 84 20.418 -9.347 -0.887 1.00 0.00 H new ATOM 0 HH11 ARG A 84 19.187 -6.031 -0.906 1.00 0.00 H new ATOM 0 HH12 ARG A 84 20.049 -5.583 0.570 1.00 0.00 H new ATOM 0 HH21 ARG A 84 21.519 -8.757 1.003 1.00 0.00 H new ATOM 0 HH22 ARG A 84 21.363 -7.118 1.645 1.00 0.00 H new ATOM 1433 N GLY A 85 15.524 -3.824 -2.404 1.00 0.00 N ATOM 1434 CA GLY A 85 14.855 -2.846 -3.241 1.00 0.00 C ATOM 1435 C GLY A 85 13.358 -3.071 -3.307 1.00 0.00 C ATOM 1436 O GLY A 85 12.826 -3.444 -4.353 1.00 0.00 O ATOM 0 H GLY A 85 15.902 -3.454 -1.532 1.00 0.00 H new ATOM 0 HA2 GLY A 85 15.053 -1.846 -2.856 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.271 -2.888 -4.248 1.00 0.00 H new ATOM 1440 N ALA A 86 12.675 -2.845 -2.189 1.00 0.00 N ATOM 1441 CA ALA A 86 11.230 -3.027 -2.125 1.00 0.00 C ATOM 1442 C ALA A 86 10.488 -1.736 -2.469 1.00 0.00 C ATOM 1443 O ALA A 86 9.301 -1.605 -2.183 1.00 0.00 O ATOM 1444 CB ALA A 86 10.823 -3.513 -0.743 1.00 0.00 C ATOM 0 H ALA A 86 13.100 -2.535 -1.315 1.00 0.00 H new ATOM 0 HA ALA A 86 10.955 -3.779 -2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.742 -3.645 -0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.312 -4.464 -0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.123 -2.778 0.004 1.00 0.00 H new ATOM 1450 N GLU A 87 11.191 -0.787 -3.080 1.00 0.00 N ATOM 1451 CA GLU A 87 10.585 0.488 -3.451 1.00 0.00 C ATOM 1452 C GLU A 87 9.863 0.386 -4.790 1.00 0.00 C ATOM 1453 O GLU A 87 10.189 -0.460 -5.622 1.00 0.00 O ATOM 1454 CB GLU A 87 11.652 1.582 -3.520 1.00 0.00 C ATOM 1455 CG GLU A 87 12.521 1.666 -2.276 1.00 0.00 C ATOM 1456 CD GLU A 87 13.995 1.816 -2.602 1.00 0.00 C ATOM 1457 OE1 GLU A 87 14.600 0.834 -3.076 1.00 0.00 O ATOM 1458 OE2 GLU A 87 14.542 2.918 -2.383 1.00 0.00 O ATOM 0 H GLU A 87 12.176 -0.876 -3.328 1.00 0.00 H new ATOM 0 HA GLU A 87 9.853 0.746 -2.685 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.289 1.402 -4.386 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.164 2.544 -3.677 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.199 2.512 -1.669 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.375 0.769 -1.674 1.00 0.00 H new ATOM 1465 N ILE A 88 8.880 1.260 -4.991 1.00 0.00 N ATOM 1466 CA ILE A 88 8.109 1.280 -6.228 1.00 0.00 C ATOM 1467 C ILE A 88 7.893 2.709 -6.713 1.00 0.00 C ATOM 1468 O ILE A 88 8.328 3.665 -6.071 1.00 0.00 O ATOM 1469 CB ILE A 88 6.734 0.603 -6.059 1.00 0.00 C ATOM 1470 CG1 ILE A 88 6.079 1.039 -4.747 1.00 0.00 C ATOM 1471 CG2 ILE A 88 6.873 -0.910 -6.115 1.00 0.00 C ATOM 1472 CD1 ILE A 88 4.693 1.610 -4.935 1.00 0.00 C ATOM 0 H ILE A 88 8.599 1.965 -4.310 1.00 0.00 H new ATOM 0 HA ILE A 88 8.689 0.723 -6.964 1.00 0.00 H new ATOM 0 HB ILE A 88 6.092 0.917 -6.882 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.024 0.183 -4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.710 1.785 -4.264 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.892 -1.370 -5.994 1.00 0.00 H new ATOM 0 HG22 ILE A 88 7.294 -1.201 -7.077 1.00 0.00 H new ATOM 0 HG23 ILE A 88 7.532 -1.245 -5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 88 4.284 1.900 -3.967 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.745 2.485 -5.583 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.048 0.858 -5.391 1.00 0.00 H new ATOM 1484 N LEU A 89 7.217 2.847 -7.847 1.00 0.00 N ATOM 1485 CA LEU A 89 6.940 4.161 -8.412 1.00 0.00 C ATOM 1486 C LEU A 89 5.568 4.661 -7.963 1.00 0.00 C ATOM 1487 O LEU A 89 4.604 3.898 -7.933 1.00 0.00 O ATOM 1488 CB LEU A 89 7.002 4.106 -9.939 1.00 0.00 C ATOM 1489 CG LEU A 89 8.210 3.363 -10.512 1.00 0.00 C ATOM 1490 CD1 LEU A 89 7.936 1.868 -10.574 1.00 0.00 C ATOM 1491 CD2 LEU A 89 8.561 3.899 -11.891 1.00 0.00 C ATOM 0 H LEU A 89 6.851 2.066 -8.392 1.00 0.00 H new ATOM 0 HA LEU A 89 7.699 4.855 -8.052 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.093 3.629 -10.307 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.006 5.126 -10.324 1.00 0.00 H new ATOM 0 HG LEU A 89 9.061 3.530 -9.852 1.00 0.00 H new ATOM 0 HD11 LEU A 89 8.806 1.355 -10.984 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.734 1.493 -9.571 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.072 1.683 -11.212 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.423 3.359 -12.283 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.712 3.763 -12.561 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.800 4.960 -11.819 1.00 0.00 H new ATOM 1503 N PRO A 90 5.460 5.953 -7.606 1.00 0.00 N ATOM 1504 CA PRO A 90 4.193 6.543 -7.161 1.00 0.00 C ATOM 1505 C PRO A 90 3.103 6.444 -8.223 1.00 0.00 C ATOM 1506 O PRO A 90 1.914 6.517 -7.915 1.00 0.00 O ATOM 1507 CB PRO A 90 4.546 8.012 -6.891 1.00 0.00 C ATOM 1508 CG PRO A 90 5.821 8.250 -7.626 1.00 0.00 C ATOM 1509 CD PRO A 90 6.553 6.940 -7.612 1.00 0.00 C ATOM 0 HA PRO A 90 3.792 6.025 -6.290 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.758 8.677 -7.244 1.00 0.00 H new ATOM 0 HB3 PRO A 90 4.666 8.198 -5.824 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.628 8.579 -8.647 1.00 0.00 H new ATOM 0 HG3 PRO A 90 6.409 9.032 -7.145 1.00 0.00 H new ATOM 0 HD2 PRO A 90 7.195 6.827 -8.485 1.00 0.00 H new ATOM 0 HD3 PRO A 90 7.190 6.843 -6.733 1.00 0.00 H new ATOM 1517 N ARG A 91 3.518 6.274 -9.474 1.00 0.00 N ATOM 1518 CA ARG A 91 2.578 6.164 -10.582 1.00 0.00 C ATOM 1519 C ARG A 91 1.831 4.832 -10.536 1.00 0.00 C ATOM 1520 O ARG A 91 0.633 4.773 -10.814 1.00 0.00 O ATOM 1521 CB ARG A 91 3.313 6.333 -11.918 1.00 0.00 C ATOM 1522 CG ARG A 91 3.968 5.063 -12.435 1.00 0.00 C ATOM 1523 CD ARG A 91 2.973 4.211 -13.202 1.00 0.00 C ATOM 1524 NE ARG A 91 3.622 3.406 -14.234 1.00 0.00 N ATOM 1525 CZ ARG A 91 2.988 2.901 -15.290 1.00 0.00 C ATOM 1526 NH1 ARG A 91 1.690 3.117 -15.461 1.00 0.00 N ATOM 1527 NH2 ARG A 91 3.656 2.179 -16.181 1.00 0.00 N ATOM 0 H ARG A 91 4.499 6.209 -9.745 1.00 0.00 H new ATOM 0 HA ARG A 91 1.840 6.961 -10.489 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.606 6.694 -12.665 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.077 7.102 -11.804 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.807 5.320 -13.082 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.373 4.492 -11.599 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.447 3.555 -12.508 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.224 4.855 -13.662 1.00 0.00 H new ATOM 0 HE ARG A 91 4.620 3.220 -14.140 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.172 3.673 -14.781 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.211 2.727 -16.272 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.654 2.011 -16.056 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.171 1.792 -16.990 1.00 0.00 H new ATOM 1541 N GLN A 92 2.545 3.767 -10.184 1.00 0.00 N ATOM 1542 CA GLN A 92 1.950 2.437 -10.104 1.00 0.00 C ATOM 1543 C GLN A 92 0.988 2.338 -8.923 1.00 0.00 C ATOM 1544 O GLN A 92 -0.154 1.904 -9.073 1.00 0.00 O ATOM 1545 CB GLN A 92 3.042 1.374 -9.975 1.00 0.00 C ATOM 1546 CG GLN A 92 3.824 1.149 -11.261 1.00 0.00 C ATOM 1547 CD GLN A 92 3.559 -0.213 -11.874 1.00 0.00 C ATOM 1548 OE1 GLN A 92 3.316 -1.189 -11.164 1.00 0.00 O ATOM 1549 NE2 GLN A 92 3.604 -0.284 -13.199 1.00 0.00 N ATOM 0 H GLN A 92 3.537 3.799 -9.949 1.00 0.00 H new ATOM 0 HA GLN A 92 1.388 2.264 -11.022 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.733 1.668 -9.185 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.587 0.433 -9.666 1.00 0.00 H new ATOM 0 HG2 GLN A 92 3.563 1.924 -11.981 1.00 0.00 H new ATOM 0 HG3 GLN A 92 4.890 1.250 -11.056 1.00 0.00 H new ATOM 0 HE21 GLN A 92 3.809 0.551 -13.748 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.433 -1.173 -13.668 1.00 0.00 H new ATOM 1558 N PHE A 93 1.461 2.747 -7.750 1.00 0.00 N ATOM 1559 CA PHE A 93 0.648 2.711 -6.538 1.00 0.00 C ATOM 1560 C PHE A 93 -0.657 3.467 -6.741 1.00 0.00 C ATOM 1561 O PHE A 93 -1.737 2.956 -6.441 1.00 0.00 O ATOM 1562 CB PHE A 93 1.423 3.312 -5.363 1.00 0.00 C ATOM 1563 CG PHE A 93 0.669 3.276 -4.063 1.00 0.00 C ATOM 1564 CD1 PHE A 93 -0.381 4.150 -3.833 1.00 0.00 C ATOM 1565 CD2 PHE A 93 1.012 2.371 -3.072 1.00 0.00 C ATOM 1566 CE1 PHE A 93 -1.075 4.122 -2.638 1.00 0.00 C ATOM 1567 CE2 PHE A 93 0.322 2.338 -1.875 1.00 0.00 C ATOM 1568 CZ PHE A 93 -0.723 3.215 -1.658 1.00 0.00 C ATOM 0 H PHE A 93 2.405 3.108 -7.612 1.00 0.00 H new ATOM 0 HA PHE A 93 0.414 1.670 -6.315 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.362 2.772 -5.244 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.678 4.346 -5.597 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.660 4.861 -4.596 1.00 0.00 H new ATOM 0 HD2 PHE A 93 1.828 1.683 -3.237 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.892 4.809 -2.471 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.599 1.628 -1.110 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.264 3.191 -0.723 1.00 0.00 H new ATOM 1578 N GLU A 94 -0.554 4.687 -7.259 1.00 0.00 N ATOM 1579 CA GLU A 94 -1.732 5.505 -7.508 1.00 0.00 C ATOM 1580 C GLU A 94 -2.523 4.966 -8.696 1.00 0.00 C ATOM 1581 O GLU A 94 -3.720 5.223 -8.822 1.00 0.00 O ATOM 1582 CB GLU A 94 -1.331 6.963 -7.753 1.00 0.00 C ATOM 1583 CG GLU A 94 -1.815 7.910 -6.666 1.00 0.00 C ATOM 1584 CD GLU A 94 -0.677 8.494 -5.850 1.00 0.00 C ATOM 1585 OE1 GLU A 94 -0.253 7.842 -4.872 1.00 0.00 O ATOM 1586 OE2 GLU A 94 -0.210 9.601 -6.190 1.00 0.00 O ATOM 0 H GLU A 94 0.330 5.128 -7.513 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.368 5.463 -6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.245 7.027 -7.824 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.733 7.287 -8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.383 8.721 -7.122 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.497 7.377 -6.003 1.00 0.00 H new ATOM 1593 N GLU A 95 -1.854 4.201 -9.558 1.00 0.00 N ATOM 1594 CA GLU A 95 -2.513 3.616 -10.720 1.00 0.00 C ATOM 1595 C GLU A 95 -3.616 2.678 -10.262 1.00 0.00 C ATOM 1596 O GLU A 95 -4.759 2.770 -10.711 1.00 0.00 O ATOM 1597 CB GLU A 95 -1.501 2.854 -11.583 1.00 0.00 C ATOM 1598 CG GLU A 95 -1.457 3.328 -13.026 1.00 0.00 C ATOM 1599 CD GLU A 95 -0.744 2.348 -13.939 1.00 0.00 C ATOM 1600 OE1 GLU A 95 -0.032 1.462 -13.421 1.00 0.00 O ATOM 1601 OE2 GLU A 95 -0.897 2.469 -15.172 1.00 0.00 O ATOM 0 H GLU A 95 -0.863 3.974 -9.473 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.946 4.416 -11.320 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.509 2.959 -11.144 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.747 1.792 -11.565 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.474 3.480 -13.386 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.954 4.294 -13.072 1.00 0.00 H new ATOM 1608 N ILE A 96 -3.263 1.780 -9.350 1.00 0.00 N ATOM 1609 CA ILE A 96 -4.214 0.827 -8.808 1.00 0.00 C ATOM 1610 C ILE A 96 -5.113 1.493 -7.775 1.00 0.00 C ATOM 1611 O ILE A 96 -6.293 1.162 -7.656 1.00 0.00 O ATOM 1612 CB ILE A 96 -3.489 -0.359 -8.157 1.00 0.00 C ATOM 1613 CG1 ILE A 96 -2.390 -0.879 -9.084 1.00 0.00 C ATOM 1614 CG2 ILE A 96 -4.476 -1.464 -7.813 1.00 0.00 C ATOM 1615 CD1 ILE A 96 -2.875 -1.196 -10.483 1.00 0.00 C ATOM 0 H ILE A 96 -2.320 1.695 -8.971 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.823 0.463 -9.635 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.025 -0.020 -7.230 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.595 -0.135 -9.144 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.954 -1.777 -8.648 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.944 -2.297 -7.352 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.223 -1.081 -7.117 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.969 -1.807 -8.722 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.041 -1.559 -11.084 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.649 -1.962 -10.435 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.285 -0.295 -10.939 1.00 0.00 H new ATOM 1627 N TRP A 97 -4.547 2.446 -7.038 1.00 0.00 N ATOM 1628 CA TRP A 97 -5.296 3.176 -6.021 1.00 0.00 C ATOM 1629 C TRP A 97 -6.564 3.756 -6.628 1.00 0.00 C ATOM 1630 O TRP A 97 -7.633 3.730 -6.016 1.00 0.00 O ATOM 1631 CB TRP A 97 -4.431 4.294 -5.433 1.00 0.00 C ATOM 1632 CG TRP A 97 -4.980 4.881 -4.168 1.00 0.00 C ATOM 1633 CD1 TRP A 97 -5.445 6.154 -3.992 1.00 0.00 C ATOM 1634 CD2 TRP A 97 -5.114 4.226 -2.901 1.00 0.00 C ATOM 1635 NE1 TRP A 97 -5.864 6.327 -2.695 1.00 0.00 N ATOM 1636 CE2 TRP A 97 -5.670 5.159 -2.004 1.00 0.00 C ATOM 1637 CE3 TRP A 97 -4.821 2.940 -2.438 1.00 0.00 C ATOM 1638 CZ2 TRP A 97 -5.936 4.845 -0.671 1.00 0.00 C ATOM 1639 CZ3 TRP A 97 -5.085 2.631 -1.116 1.00 0.00 C ATOM 1640 CH2 TRP A 97 -5.637 3.578 -0.248 1.00 0.00 C ATOM 0 H TRP A 97 -3.571 2.730 -7.127 1.00 0.00 H new ATOM 0 HA TRP A 97 -5.571 2.489 -5.221 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.432 3.904 -5.238 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -4.324 5.086 -6.174 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.478 6.913 -4.760 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -6.256 7.186 -2.309 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.396 2.201 -3.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -6.362 5.574 0.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -4.861 1.641 -0.748 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -5.832 3.304 0.778 1.00 0.00 H new ATOM 1651 N GLU A 98 -6.435 4.267 -7.846 1.00 0.00 N ATOM 1652 CA GLU A 98 -7.564 4.844 -8.565 1.00 0.00 C ATOM 1653 C GLU A 98 -8.326 3.759 -9.320 1.00 0.00 C ATOM 1654 O GLU A 98 -9.536 3.863 -9.524 1.00 0.00 O ATOM 1655 CB GLU A 98 -7.080 5.921 -9.538 1.00 0.00 C ATOM 1656 CG GLU A 98 -7.989 7.138 -9.597 1.00 0.00 C ATOM 1657 CD GLU A 98 -8.127 7.695 -11.001 1.00 0.00 C ATOM 1658 OE1 GLU A 98 -8.359 6.899 -11.934 1.00 0.00 O ATOM 1659 OE2 GLU A 98 -8.002 8.926 -11.165 1.00 0.00 O ATOM 0 H GLU A 98 -5.554 4.293 -8.359 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.237 5.302 -7.840 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.079 6.239 -9.247 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.000 5.489 -10.535 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.975 6.869 -9.218 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.595 7.913 -8.940 1.00 0.00 H new ATOM 1666 N ARG A 99 -7.604 2.721 -9.735 1.00 0.00 N ATOM 1667 CA ARG A 99 -8.202 1.614 -10.473 1.00 0.00 C ATOM 1668 C ARG A 99 -9.345 0.980 -9.687 1.00 0.00 C ATOM 1669 O ARG A 99 -10.463 0.854 -10.189 1.00 0.00 O ATOM 1670 CB ARG A 99 -7.143 0.557 -10.793 1.00 0.00 C ATOM 1671 CG ARG A 99 -7.457 -0.264 -12.033 1.00 0.00 C ATOM 1672 CD ARG A 99 -6.231 -1.013 -12.530 1.00 0.00 C ATOM 1673 NE ARG A 99 -6.561 -1.966 -13.586 1.00 0.00 N ATOM 1674 CZ ARG A 99 -5.699 -2.850 -14.084 1.00 0.00 C ATOM 1675 NH1 ARG A 99 -4.457 -2.907 -13.621 1.00 0.00 N ATOM 1676 NH2 ARG A 99 -6.080 -3.680 -15.045 1.00 0.00 N ATOM 0 H ARG A 99 -6.602 2.624 -9.572 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.606 2.012 -11.404 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.180 1.049 -10.928 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.042 -0.114 -9.940 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -8.253 -0.974 -11.808 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -7.828 0.392 -12.821 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -5.497 -0.299 -12.903 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -5.767 -1.541 -11.697 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.508 -1.954 -13.965 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -4.159 -2.272 -12.880 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -3.800 -3.586 -14.006 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -7.034 -3.642 -15.403 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -5.419 -4.357 -15.426 1.00 0.00 H new ATOM 1690 N CYS A 100 -9.060 0.579 -8.453 1.00 0.00 N ATOM 1691 CA CYS A 100 -10.065 -0.045 -7.600 1.00 0.00 C ATOM 1692 C CYS A 100 -11.037 0.995 -7.049 1.00 0.00 C ATOM 1693 O CYS A 100 -12.130 1.180 -7.584 1.00 0.00 O ATOM 1694 CB CYS A 100 -9.391 -0.801 -6.452 1.00 0.00 C ATOM 1695 SG CYS A 100 -8.481 -2.273 -6.976 1.00 0.00 S ATOM 0 H CYS A 100 -8.141 0.675 -8.021 1.00 0.00 H new ATOM 0 HA CYS A 100 -10.632 -0.753 -8.205 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -8.706 -0.126 -5.939 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -10.151 -1.095 -5.728 1.00 0.00 H new ATOM 0 HG CYS A 100 -7.284 -2.247 -6.469 1.00 0.00 H new ATOM 1701 N GLY A 101 -10.636 1.675 -5.977 1.00 0.00 N ATOM 1702 CA GLY A 101 -11.490 2.684 -5.378 1.00 0.00 C ATOM 1703 C GLY A 101 -10.838 3.366 -4.189 1.00 0.00 C ATOM 1704 O GLY A 101 -11.509 3.703 -3.215 1.00 0.00 O ATOM 0 H GLY A 101 -9.736 1.545 -5.514 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.743 3.433 -6.128 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.425 2.222 -5.060 1.00 0.00 H new ATOM 1708 N GLY A 102 -9.527 3.569 -4.271 1.00 0.00 N ATOM 1709 CA GLY A 102 -8.808 4.212 -3.189 1.00 0.00 C ATOM 1710 C GLY A 102 -9.185 5.672 -3.025 1.00 0.00 C ATOM 1711 O GLY A 102 -9.273 6.175 -1.906 1.00 0.00 O ATOM 0 H GLY A 102 -8.950 3.299 -5.068 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.009 3.682 -2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.736 4.136 -3.374 1.00 0.00 H new ATOM 1715 N ILE A 103 -9.407 6.352 -4.145 1.00 0.00 N ATOM 1716 CA ILE A 103 -9.776 7.763 -4.120 1.00 0.00 C ATOM 1717 C ILE A 103 -11.189 7.953 -3.579 1.00 0.00 C ATOM 1718 O ILE A 103 -11.456 8.889 -2.827 1.00 0.00 O ATOM 1719 CB ILE A 103 -9.682 8.393 -5.523 1.00 0.00 C ATOM 1720 CG1 ILE A 103 -8.331 8.067 -6.162 1.00 0.00 C ATOM 1721 CG2 ILE A 103 -9.889 9.899 -5.444 1.00 0.00 C ATOM 1722 CD1 ILE A 103 -7.153 8.626 -5.397 1.00 0.00 C ATOM 0 H ILE A 103 -9.338 5.950 -5.080 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.069 8.264 -3.459 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.469 7.972 -6.148 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -8.225 6.985 -6.237 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -8.314 8.460 -7.178 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.820 10.329 -6.443 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.873 10.110 -5.026 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -9.122 10.339 -4.806 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -6.228 8.357 -5.906 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.236 9.712 -5.344 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -7.145 8.213 -4.388 1.00 0.00 H new ATOM 1734 N GLN A 104 -12.092 7.056 -3.962 1.00 0.00 N ATOM 1735 CA GLN A 104 -13.475 7.129 -3.507 1.00 0.00 C ATOM 1736 C GLN A 104 -13.548 6.947 -1.995 1.00 0.00 C ATOM 1737 O GLN A 104 -14.277 7.661 -1.305 1.00 0.00 O ATOM 1738 CB GLN A 104 -14.321 6.062 -4.206 1.00 0.00 C ATOM 1739 CG GLN A 104 -15.017 6.565 -5.462 1.00 0.00 C ATOM 1740 CD GLN A 104 -14.453 5.952 -6.728 1.00 0.00 C ATOM 1741 OE1 GLN A 104 -15.112 5.154 -7.393 1.00 0.00 O ATOM 1742 NE2 GLN A 104 -13.224 6.325 -7.069 1.00 0.00 N ATOM 0 H GLN A 104 -11.892 6.273 -4.584 1.00 0.00 H new ATOM 0 HA GLN A 104 -13.870 8.113 -3.760 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.683 5.218 -4.467 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -15.072 5.690 -3.508 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -16.082 6.340 -5.397 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -14.923 7.650 -5.515 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -12.713 6.990 -6.488 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -12.792 5.947 -7.912 1.00 0.00 H new ATOM 1751 N TYR A 105 -12.782 5.989 -1.487 1.00 0.00 N ATOM 1752 CA TYR A 105 -12.750 5.711 -0.056 1.00 0.00 C ATOM 1753 C TYR A 105 -12.116 6.871 0.705 1.00 0.00 C ATOM 1754 O TYR A 105 -12.603 7.276 1.761 1.00 0.00 O ATOM 1755 CB TYR A 105 -11.974 4.418 0.209 1.00 0.00 C ATOM 1756 CG TYR A 105 -11.729 4.141 1.676 1.00 0.00 C ATOM 1757 CD1 TYR A 105 -12.788 4.010 2.564 1.00 0.00 C ATOM 1758 CD2 TYR A 105 -10.438 4.012 2.171 1.00 0.00 C ATOM 1759 CE1 TYR A 105 -12.567 3.758 3.905 1.00 0.00 C ATOM 1760 CE2 TYR A 105 -10.208 3.760 3.509 1.00 0.00 C ATOM 1761 CZ TYR A 105 -11.277 3.635 4.372 1.00 0.00 C ATOM 1762 OH TYR A 105 -11.054 3.384 5.705 1.00 0.00 O ATOM 0 H TYR A 105 -12.174 5.391 -2.046 1.00 0.00 H new ATOM 0 HA TYR A 105 -13.774 5.590 0.296 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -12.523 3.581 -0.222 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -11.015 4.469 -0.306 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -13.801 4.107 2.201 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.599 4.110 1.498 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -13.402 3.658 4.583 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -9.198 3.661 3.878 1.00 0.00 H new ATOM 0 HH TYR A 105 -10.877 2.429 5.833 1.00 0.00 H new ATOM 1772 N LEU A 106 -11.024 7.401 0.164 1.00 0.00 N ATOM 1773 CA LEU A 106 -10.320 8.515 0.790 1.00 0.00 C ATOM 1774 C LEU A 106 -11.175 9.779 0.780 1.00 0.00 C ATOM 1775 O LEU A 106 -11.346 10.431 1.810 1.00 0.00 O ATOM 1776 CB LEU A 106 -8.993 8.769 0.075 1.00 0.00 C ATOM 1777 CG LEU A 106 -7.771 8.852 0.990 1.00 0.00 C ATOM 1778 CD1 LEU A 106 -7.766 10.163 1.759 1.00 0.00 C ATOM 1779 CD2 LEU A 106 -7.733 7.669 1.947 1.00 0.00 C ATOM 0 H LEU A 106 -10.607 7.076 -0.708 1.00 0.00 H new ATOM 0 HA LEU A 106 -10.119 8.250 1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.831 7.973 -0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.072 9.700 -0.486 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.877 8.816 0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.889 10.203 2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.738 10.996 1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -8.668 10.231 2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.855 7.748 2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.633 7.669 2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.683 6.741 1.377 1.00 0.00 H new ATOM 1791 N GLN A 107 -11.710 10.120 -0.388 1.00 0.00 N ATOM 1792 CA GLN A 107 -12.546 11.307 -0.528 1.00 0.00 C ATOM 1793 C GLN A 107 -13.787 11.211 0.358 1.00 0.00 C ATOM 1794 O GLN A 107 -14.315 12.224 0.815 1.00 0.00 O ATOM 1795 CB GLN A 107 -12.947 11.507 -1.994 1.00 0.00 C ATOM 1796 CG GLN A 107 -14.036 10.559 -2.476 1.00 0.00 C ATOM 1797 CD GLN A 107 -15.325 11.276 -2.828 1.00 0.00 C ATOM 1798 OE1 GLN A 107 -15.678 12.288 -2.040 1.00 0.00 O flip ATOM 1799 NE2 GLN A 107 -15.999 10.927 -3.797 1.00 0.00 N flip ATOM 0 H GLN A 107 -11.580 9.592 -1.251 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.966 12.171 -0.203 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.288 12.533 -2.129 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.065 11.379 -2.621 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.677 10.015 -3.350 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.237 9.819 -1.701 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.693 10.145 -4.376 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.864 11.420 -4.021 1.00 0.00 H new ATOM 1808 N SER A 108 -14.243 9.986 0.596 1.00 0.00 N ATOM 1809 CA SER A 108 -15.422 9.753 1.427 1.00 0.00 C ATOM 1810 C SER A 108 -15.132 10.094 2.884 1.00 0.00 C ATOM 1811 O SER A 108 -15.875 10.846 3.516 1.00 0.00 O ATOM 1812 CB SER A 108 -15.875 8.297 1.311 1.00 0.00 C ATOM 1813 OG SER A 108 -17.180 8.125 1.837 1.00 0.00 O ATOM 0 H SER A 108 -13.815 9.138 0.226 1.00 0.00 H new ATOM 0 HA SER A 108 -16.222 10.402 1.072 1.00 0.00 H new ATOM 0 HB2 SER A 108 -15.858 7.990 0.265 1.00 0.00 H new ATOM 0 HB3 SER A 108 -15.177 7.652 1.844 1.00 0.00 H new ATOM 0 HG SER A 108 -17.447 7.186 1.749 1.00 0.00 H new ATOM 1819 N ALA A 109 -14.037 9.555 3.408 1.00 0.00 N ATOM 1820 CA ALA A 109 -13.641 9.823 4.782 1.00 0.00 C ATOM 1821 C ALA A 109 -13.126 11.250 4.893 1.00 0.00 C ATOM 1822 O ALA A 109 -13.275 11.907 5.925 1.00 0.00 O ATOM 1823 CB ALA A 109 -12.579 8.831 5.236 1.00 0.00 C ATOM 0 H ALA A 109 -13.409 8.931 2.901 1.00 0.00 H new ATOM 0 HA ALA A 109 -14.508 9.707 5.433 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -12.296 9.047 6.266 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.977 7.818 5.174 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.703 8.916 4.593 1.00 0.00 H new ATOM 1829 N ILE A 110 -12.534 11.723 3.803 1.00 0.00 N ATOM 1830 CA ILE A 110 -12.002 13.071 3.730 1.00 0.00 C ATOM 1831 C ILE A 110 -13.101 14.087 4.035 1.00 0.00 C ATOM 1832 O ILE A 110 -12.919 14.992 4.851 1.00 0.00 O ATOM 1833 CB ILE A 110 -11.412 13.334 2.325 1.00 0.00 C ATOM 1834 CG1 ILE A 110 -9.978 12.816 2.246 1.00 0.00 C ATOM 1835 CG2 ILE A 110 -11.463 14.809 1.968 1.00 0.00 C ATOM 1836 CD1 ILE A 110 -9.485 12.625 0.827 1.00 0.00 C ATOM 0 H ILE A 110 -12.411 11.181 2.948 1.00 0.00 H new ATOM 0 HA ILE A 110 -11.209 13.176 4.471 1.00 0.00 H new ATOM 0 HB ILE A 110 -12.023 12.796 1.600 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -9.318 13.514 2.761 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -9.913 11.866 2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -11.040 14.958 0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.498 15.150 1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -10.887 15.380 2.696 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -8.460 12.255 0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -10.122 11.904 0.314 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.518 13.578 0.299 1.00 0.00 H new ATOM 1848 N GLU A 111 -14.244 13.922 3.377 1.00 0.00 N ATOM 1849 CA GLU A 111 -15.380 14.813 3.576 1.00 0.00 C ATOM 1850 C GLU A 111 -15.983 14.611 4.961 1.00 0.00 C ATOM 1851 O GLU A 111 -16.378 15.570 5.625 1.00 0.00 O ATOM 1852 CB GLU A 111 -16.441 14.564 2.504 1.00 0.00 C ATOM 1853 CG GLU A 111 -15.987 14.926 1.099 1.00 0.00 C ATOM 1854 CD GLU A 111 -17.098 15.537 0.266 1.00 0.00 C ATOM 1855 OE1 GLU A 111 -18.243 15.047 0.355 1.00 0.00 O ATOM 1856 OE2 GLU A 111 -16.821 16.503 -0.473 1.00 0.00 O ATOM 0 H GLU A 111 -14.408 13.177 2.700 1.00 0.00 H new ATOM 0 HA GLU A 111 -15.028 15.841 3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -16.726 13.512 2.525 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -17.333 15.140 2.748 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -15.155 15.628 1.160 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -15.614 14.032 0.600 1.00 0.00 H new ATOM 1863 N SER A 112 -16.046 13.356 5.392 1.00 0.00 N ATOM 1864 CA SER A 112 -16.596 13.021 6.700 1.00 0.00 C ATOM 1865 C SER A 112 -15.670 13.483 7.823 1.00 0.00 C ATOM 1866 O SER A 112 -16.056 13.491 8.992 1.00 0.00 O ATOM 1867 CB SER A 112 -16.828 11.513 6.806 1.00 0.00 C ATOM 1868 OG SER A 112 -17.995 11.228 7.557 1.00 0.00 O ATOM 0 H SER A 112 -15.722 12.553 4.853 1.00 0.00 H new ATOM 0 HA SER A 112 -17.548 13.540 6.806 1.00 0.00 H new ATOM 0 HB2 SER A 112 -16.921 11.085 5.808 1.00 0.00 H new ATOM 0 HB3 SER A 112 -15.965 11.041 7.276 1.00 0.00 H new ATOM 0 HG SER A 112 -18.122 10.258 7.609 1.00 0.00 H new ATOM 1874 N ARG A 113 -14.444 13.869 7.465 1.00 0.00 N ATOM 1875 CA ARG A 113 -13.462 14.331 8.444 1.00 0.00 C ATOM 1876 C ARG A 113 -12.922 13.165 9.265 1.00 0.00 C ATOM 1877 O ARG A 113 -12.647 13.306 10.456 1.00 0.00 O ATOM 1878 CB ARG A 113 -14.076 15.386 9.371 1.00 0.00 C ATOM 1879 CG ARG A 113 -14.866 16.456 8.638 1.00 0.00 C ATOM 1880 CD ARG A 113 -13.987 17.240 7.674 1.00 0.00 C ATOM 1881 NE ARG A 113 -13.747 18.605 8.139 1.00 0.00 N ATOM 1882 CZ ARG A 113 -12.747 18.952 8.947 1.00 0.00 C ATOM 1883 NH1 ARG A 113 -11.884 18.041 9.383 1.00 0.00 N ATOM 1884 NH2 ARG A 113 -12.606 20.218 9.320 1.00 0.00 N ATOM 0 H ARG A 113 -14.108 13.870 6.502 1.00 0.00 H new ATOM 0 HA ARG A 113 -12.634 14.783 7.898 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -14.731 14.890 10.088 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -13.280 15.862 9.943 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -15.685 15.992 8.089 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -15.313 17.138 9.361 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -13.034 16.726 7.552 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -14.461 17.269 6.693 1.00 0.00 H new ATOM 0 HE ARG A 113 -14.385 19.337 7.825 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -11.984 17.066 9.099 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -11.121 18.316 10.002 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -13.263 20.924 8.988 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -11.840 20.485 9.939 1.00 0.00 H new ATOM 1898 N GLN A 114 -12.770 12.016 8.617 1.00 0.00 N ATOM 1899 CA GLN A 114 -12.258 10.824 9.284 1.00 0.00 C ATOM 1900 C GLN A 114 -10.827 10.531 8.840 1.00 0.00 C ATOM 1901 O GLN A 114 -10.038 9.961 9.594 1.00 0.00 O ATOM 1902 CB GLN A 114 -13.153 9.621 8.985 1.00 0.00 C ATOM 1903 CG GLN A 114 -14.452 9.620 9.774 1.00 0.00 C ATOM 1904 CD GLN A 114 -15.064 8.239 9.890 1.00 0.00 C ATOM 1905 OE1 GLN A 114 -14.368 7.257 10.150 1.00 0.00 O ATOM 1906 NE2 GLN A 114 -16.377 8.156 9.695 1.00 0.00 N ATOM 0 H GLN A 114 -12.994 11.884 7.631 1.00 0.00 H new ATOM 0 HA GLN A 114 -12.259 11.008 10.358 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -13.384 9.606 7.920 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -12.603 8.706 9.205 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -14.266 10.016 10.772 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -15.165 10.290 9.293 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -16.915 8.996 9.482 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -16.846 7.252 9.759 1.00 0.00 H new ATOM 1915 N ALA A 115 -10.500 10.928 7.613 1.00 0.00 N ATOM 1916 CA ALA A 115 -9.164 10.709 7.071 1.00 0.00 C ATOM 1917 C ALA A 115 -8.105 11.381 7.938 1.00 0.00 C ATOM 1918 O ALA A 115 -8.395 11.846 9.041 1.00 0.00 O ATOM 1919 CB ALA A 115 -9.089 11.227 5.641 1.00 0.00 C ATOM 0 H ALA A 115 -11.141 11.402 6.977 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.966 9.637 7.070 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.087 11.059 5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.816 10.699 5.024 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.310 12.294 5.629 1.00 0.00 H new ATOM 1925 N ARG A 116 -6.874 11.425 7.435 1.00 0.00 N ATOM 1926 CA ARG A 116 -5.774 12.037 8.169 1.00 0.00 C ATOM 1927 C ARG A 116 -4.867 12.833 7.231 1.00 0.00 C ATOM 1928 O ARG A 116 -3.973 12.272 6.598 1.00 0.00 O ATOM 1929 CB ARG A 116 -4.958 10.963 8.889 1.00 0.00 C ATOM 1930 CG ARG A 116 -3.807 11.520 9.712 1.00 0.00 C ATOM 1931 CD ARG A 116 -3.319 10.511 10.738 1.00 0.00 C ATOM 1932 NE ARG A 116 -2.010 10.869 11.278 1.00 0.00 N ATOM 1933 CZ ARG A 116 -1.211 10.015 11.914 1.00 0.00 C ATOM 1934 NH1 ARG A 116 -1.584 8.754 12.092 1.00 0.00 N ATOM 1935 NH2 ARG A 116 -0.036 10.423 12.373 1.00 0.00 N ATOM 0 H ARG A 116 -6.615 11.045 6.525 1.00 0.00 H new ATOM 0 HA ARG A 116 -6.197 12.721 8.904 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -5.619 10.394 9.543 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -4.562 10.265 8.152 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -2.985 11.795 9.051 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -4.127 12.430 10.219 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -4.041 10.444 11.552 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -3.264 9.524 10.278 1.00 0.00 H new ATOM 0 HE ARG A 116 -1.689 11.830 11.161 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -2.487 8.435 11.741 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -0.968 8.104 12.580 1.00 0.00 H new ATOM 0 HH21 ARG A 116 0.256 11.391 12.239 1.00 0.00 H new ATOM 0 HH22 ARG A 116 0.576 9.769 12.860 1.00 0.00 H new ATOM 1949 N PRO A 117 -5.084 14.159 7.132 1.00 0.00 N ATOM 1950 CA PRO A 117 -4.276 15.028 6.269 1.00 0.00 C ATOM 1951 C PRO A 117 -2.782 14.757 6.412 1.00 0.00 C ATOM 1952 O PRO A 117 -2.172 15.106 7.423 1.00 0.00 O ATOM 1953 CB PRO A 117 -4.623 16.427 6.773 1.00 0.00 C ATOM 1954 CG PRO A 117 -6.018 16.301 7.277 1.00 0.00 C ATOM 1955 CD PRO A 117 -6.126 14.915 7.853 1.00 0.00 C ATOM 0 HA PRO A 117 -4.487 14.875 5.211 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -3.942 16.746 7.562 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -4.554 17.166 5.975 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -6.229 17.056 8.034 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -6.739 16.447 6.472 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -5.951 14.913 8.929 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.116 14.489 7.690 1.00 0.00 H new ATOM 1963 N THR A 118 -2.200 14.130 5.397 1.00 0.00 N ATOM 1964 CA THR A 118 -0.776 13.810 5.410 1.00 0.00 C ATOM 1965 C THR A 118 -0.173 13.926 4.015 1.00 0.00 C ATOM 1966 O THR A 118 0.899 14.504 3.837 1.00 0.00 O ATOM 1967 CB THR A 118 -0.557 12.399 5.957 1.00 0.00 C ATOM 1968 OG1 THR A 118 -1.587 11.528 5.525 1.00 0.00 O ATOM 1969 CG2 THR A 118 -0.513 12.342 7.469 1.00 0.00 C ATOM 0 H THR A 118 -2.691 13.833 4.554 1.00 0.00 H new ATOM 0 HA THR A 118 -0.276 14.529 6.059 1.00 0.00 H new ATOM 0 HB THR A 118 0.413 12.088 5.569 1.00 0.00 H new ATOM 0 HG1 THR A 118 -2.415 11.737 6.005 1.00 0.00 H new ATOM 0 HG21 THR A 118 -0.355 11.312 7.790 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.304 12.965 7.833 1.00 0.00 H new ATOM 0 HG23 THR A 118 -1.456 12.708 7.874 1.00 0.00 H new ATOM 1977 N TYR A 119 -0.865 13.369 3.026 1.00 0.00 N ATOM 1978 CA TYR A 119 -0.393 13.412 1.646 1.00 0.00 C ATOM 1979 C TYR A 119 -1.432 12.826 0.697 1.00 0.00 C ATOM 1980 O TYR A 119 -1.771 13.434 -0.319 1.00 0.00 O ATOM 1981 CB TYR A 119 0.923 12.643 1.516 1.00 0.00 C ATOM 1982 CG TYR A 119 1.564 12.765 0.152 1.00 0.00 C ATOM 1983 CD1 TYR A 119 0.999 12.153 -0.960 1.00 0.00 C ATOM 1984 CD2 TYR A 119 2.735 13.491 -0.022 1.00 0.00 C ATOM 1985 CE1 TYR A 119 1.583 12.262 -2.207 1.00 0.00 C ATOM 1986 CE2 TYR A 119 3.324 13.604 -1.267 1.00 0.00 C ATOM 1987 CZ TYR A 119 2.745 12.988 -2.355 1.00 0.00 C ATOM 1988 OH TYR A 119 3.330 13.099 -3.596 1.00 0.00 O ATOM 0 H TYR A 119 -1.753 12.883 3.154 1.00 0.00 H new ATOM 0 HA TYR A 119 -0.228 14.455 1.375 1.00 0.00 H new ATOM 0 HB2 TYR A 119 1.622 13.005 2.270 1.00 0.00 H new ATOM 0 HB3 TYR A 119 0.741 11.590 1.730 1.00 0.00 H new ATOM 0 HD1 TYR A 119 0.089 11.583 -0.848 1.00 0.00 H new ATOM 0 HD2 TYR A 119 3.192 13.975 0.829 1.00 0.00 H new ATOM 0 HE1 TYR A 119 1.131 11.781 -3.062 1.00 0.00 H new ATOM 0 HE2 TYR A 119 4.234 14.173 -1.387 1.00 0.00 H new ATOM 0 HH TYR A 119 4.141 13.645 -3.528 1.00 0.00 H new ATOM 1998 N ALA A 120 -1.933 11.642 1.032 1.00 0.00 N ATOM 1999 CA ALA A 120 -2.931 10.973 0.208 1.00 0.00 C ATOM 2000 C ALA A 120 -4.173 11.840 0.032 1.00 0.00 C ATOM 2001 O ALA A 120 -4.762 11.885 -1.046 1.00 0.00 O ATOM 2002 CB ALA A 120 -3.307 9.632 0.817 1.00 0.00 C ATOM 0 H ALA A 120 -1.663 11.126 1.870 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.495 10.805 -0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.053 9.144 0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.421 9.001 0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.717 9.788 1.815 1.00 0.00 H new ATOM 2008 N THR A 121 -4.566 12.527 1.100 1.00 0.00 N ATOM 2009 CA THR A 121 -5.739 13.390 1.057 1.00 0.00 C ATOM 2010 C THR A 121 -5.485 14.603 0.168 1.00 0.00 C ATOM 2011 O THR A 121 -6.328 14.969 -0.651 1.00 0.00 O ATOM 2012 CB THR A 121 -6.121 13.841 2.468 1.00 0.00 C ATOM 2013 OG1 THR A 121 -5.014 14.434 3.122 1.00 0.00 O ATOM 2014 CG2 THR A 121 -6.621 12.709 3.340 1.00 0.00 C ATOM 0 H THR A 121 -4.091 12.503 2.002 1.00 0.00 H new ATOM 0 HA THR A 121 -6.566 12.820 0.634 1.00 0.00 H new ATOM 0 HB THR A 121 -6.929 14.560 2.335 1.00 0.00 H new ATOM 0 HG1 THR A 121 -5.195 15.385 3.274 1.00 0.00 H new ATOM 0 HG21 THR A 121 -6.875 13.095 4.327 1.00 0.00 H new ATOM 0 HG22 THR A 121 -7.506 12.263 2.886 1.00 0.00 H new ATOM 0 HG23 THR A 121 -5.842 11.952 3.436 1.00 0.00 H new ATOM 2022 N ALA A 122 -4.317 15.216 0.327 1.00 0.00 N ATOM 2023 CA ALA A 122 -3.953 16.381 -0.473 1.00 0.00 C ATOM 2024 C ALA A 122 -3.985 16.038 -1.957 1.00 0.00 C ATOM 2025 O ALA A 122 -4.720 16.649 -2.736 1.00 0.00 O ATOM 2026 CB ALA A 122 -2.576 16.889 -0.073 1.00 0.00 C ATOM 0 H ALA A 122 -3.608 14.927 1.000 1.00 0.00 H new ATOM 0 HA ALA A 122 -4.680 17.171 -0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.319 17.758 -0.679 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.584 17.170 0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -1.838 16.103 -0.234 1.00 0.00 H new ATOM 2032 N MET A 123 -3.191 15.043 -2.335 1.00 0.00 N ATOM 2033 CA MET A 123 -3.134 14.599 -3.719 1.00 0.00 C ATOM 2034 C MET A 123 -4.527 14.211 -4.205 1.00 0.00 C ATOM 2035 O MET A 123 -4.841 14.349 -5.387 1.00 0.00 O ATOM 2036 CB MET A 123 -2.153 13.432 -3.870 1.00 0.00 C ATOM 2037 CG MET A 123 -2.341 12.336 -2.834 1.00 0.00 C ATOM 2038 SD MET A 123 -2.851 10.769 -3.564 1.00 0.00 S ATOM 2039 CE MET A 123 -4.134 11.324 -4.685 1.00 0.00 C ATOM 0 H MET A 123 -2.579 14.530 -1.701 1.00 0.00 H new ATOM 0 HA MET A 123 -2.773 15.421 -4.337 1.00 0.00 H new ATOM 0 HB2 MET A 123 -2.265 13.002 -4.865 1.00 0.00 H new ATOM 0 HB3 MET A 123 -1.135 13.814 -3.801 1.00 0.00 H new ATOM 0 HG2 MET A 123 -1.408 12.192 -2.290 1.00 0.00 H new ATOM 0 HG3 MET A 123 -3.088 12.654 -2.107 1.00 0.00 H new ATOM 0 HE1 MET A 123 -4.538 10.469 -5.227 1.00 0.00 H new ATOM 0 HE2 MET A 123 -4.931 11.804 -4.117 1.00 0.00 H new ATOM 0 HE3 MET A 123 -3.714 12.037 -5.394 1.00 0.00 H new ATOM 2049 N LEU A 124 -5.366 13.748 -3.280 1.00 0.00 N ATOM 2050 CA LEU A 124 -6.732 13.366 -3.619 1.00 0.00 C ATOM 2051 C LEU A 124 -7.534 14.599 -4.010 1.00 0.00 C ATOM 2052 O LEU A 124 -8.167 14.636 -5.068 1.00 0.00 O ATOM 2053 CB LEU A 124 -7.404 12.658 -2.441 1.00 0.00 C ATOM 2054 CG LEU A 124 -7.940 11.258 -2.751 1.00 0.00 C ATOM 2055 CD1 LEU A 124 -7.160 10.200 -1.984 1.00 0.00 C ATOM 2056 CD2 LEU A 124 -9.424 11.169 -2.425 1.00 0.00 C ATOM 0 H LEU A 124 -5.124 13.629 -2.296 1.00 0.00 H new ATOM 0 HA LEU A 124 -6.699 12.677 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -6.687 12.584 -1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -8.229 13.277 -2.087 1.00 0.00 H new ATOM 0 HG LEU A 124 -7.810 11.072 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.558 9.213 -2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.109 10.245 -2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.254 10.383 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -9.787 10.167 -2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.577 11.379 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.972 11.897 -3.023 1.00 0.00 H new ATOM 2068 N GLN A 125 -7.492 15.613 -3.153 1.00 0.00 N ATOM 2069 CA GLN A 125 -8.202 16.861 -3.405 1.00 0.00 C ATOM 2070 C GLN A 125 -7.891 17.365 -4.808 1.00 0.00 C ATOM 2071 O GLN A 125 -8.765 17.876 -5.506 1.00 0.00 O ATOM 2072 CB GLN A 125 -7.814 17.918 -2.370 1.00 0.00 C ATOM 2073 CG GLN A 125 -8.438 17.686 -1.003 1.00 0.00 C ATOM 2074 CD GLN A 125 -9.948 17.573 -1.065 1.00 0.00 C ATOM 2075 OE1 GLN A 125 -10.653 18.576 -1.169 1.00 0.00 O ATOM 2076 NE2 GLN A 125 -10.452 16.345 -0.998 1.00 0.00 N ATOM 0 H GLN A 125 -6.972 15.595 -2.276 1.00 0.00 H new ATOM 0 HA GLN A 125 -9.273 16.673 -3.324 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.729 17.934 -2.267 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -8.114 18.900 -2.735 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -8.026 16.775 -0.569 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -8.165 18.506 -0.339 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -9.829 15.542 -0.912 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -11.462 16.206 -1.032 1.00 0.00 H new ATOM 2085 N ASN A 126 -6.638 17.197 -5.216 1.00 0.00 N ATOM 2086 CA ASN A 126 -6.211 17.617 -6.544 1.00 0.00 C ATOM 2087 C ASN A 126 -6.630 16.586 -7.582 1.00 0.00 C ATOM 2088 O ASN A 126 -6.975 16.931 -8.712 1.00 0.00 O ATOM 2089 CB ASN A 126 -4.696 17.822 -6.583 1.00 0.00 C ATOM 2090 CG ASN A 126 -4.290 19.218 -6.152 1.00 0.00 C ATOM 2091 OD1 ASN A 126 -4.572 20.200 -6.839 1.00 0.00 O ATOM 2092 ND2 ASN A 126 -3.622 19.314 -5.008 1.00 0.00 N ATOM 0 H ASN A 126 -5.903 16.775 -4.648 1.00 0.00 H new ATOM 0 HA ASN A 126 -6.693 18.566 -6.777 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -4.216 17.090 -5.933 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -4.333 17.637 -7.594 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -3.322 20.228 -4.668 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -3.409 18.474 -4.470 1.00 0.00 H new ATOM 2099 N LEU A 127 -6.616 15.319 -7.183 1.00 0.00 N ATOM 2100 CA LEU A 127 -7.014 14.238 -8.073 1.00 0.00 C ATOM 2101 C LEU A 127 -8.470 14.408 -8.498 1.00 0.00 C ATOM 2102 O LEU A 127 -8.910 13.826 -9.488 1.00 0.00 O ATOM 2103 CB LEU A 127 -6.827 12.884 -7.383 1.00 0.00 C ATOM 2104 CG LEU A 127 -6.283 11.769 -8.280 1.00 0.00 C ATOM 2105 CD1 LEU A 127 -4.780 11.619 -8.093 1.00 0.00 C ATOM 2106 CD2 LEU A 127 -6.993 10.454 -7.986 1.00 0.00 C ATOM 0 H LEU A 127 -6.334 15.017 -6.251 1.00 0.00 H new ATOM 0 HA LEU A 127 -6.382 14.272 -8.960 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -6.149 13.014 -6.539 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.786 12.566 -6.975 1.00 0.00 H new ATOM 0 HG LEU A 127 -6.474 12.038 -9.319 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.411 10.822 -8.738 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -4.286 12.555 -8.353 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.566 11.372 -7.053 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.594 9.673 -8.633 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.833 10.179 -6.943 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -8.061 10.568 -8.171 1.00 0.00 H new ATOM 2118 N LEU A 128 -9.215 15.211 -7.738 1.00 0.00 N ATOM 2119 CA LEU A 128 -10.621 15.456 -8.034 1.00 0.00 C ATOM 2120 C LEU A 128 -11.028 16.863 -7.611 1.00 0.00 C ATOM 2121 O LEU A 128 -11.564 17.063 -6.521 1.00 0.00 O ATOM 2122 CB LEU A 128 -11.491 14.426 -7.322 1.00 0.00 C ATOM 2123 CG LEU A 128 -11.219 14.287 -5.827 1.00 0.00 C ATOM 2124 CD1 LEU A 128 -12.368 14.866 -5.016 1.00 0.00 C ATOM 2125 CD2 LEU A 128 -10.979 12.831 -5.459 1.00 0.00 C ATOM 0 H LEU A 128 -8.866 15.701 -6.914 1.00 0.00 H new ATOM 0 HA LEU A 128 -10.765 15.366 -9.111 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -12.538 14.694 -7.464 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -11.344 13.456 -7.796 1.00 0.00 H new ATOM 0 HG LEU A 128 -10.317 14.851 -5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -12.154 14.757 -3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -12.486 15.923 -5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -13.288 14.334 -5.257 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -10.787 12.753 -4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -11.860 12.241 -5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -10.118 12.453 -6.011 1.00 0.00 H new ATOM 2137 N LYS A 129 -10.773 17.834 -8.481 1.00 0.00 N ATOM 2138 CA LYS A 129 -11.115 19.222 -8.197 1.00 0.00 C ATOM 2139 C LYS A 129 -12.619 19.384 -8.003 1.00 0.00 C ATOM 2140 O LYS A 129 -13.040 19.691 -6.868 1.00 0.00 O ATOM 2141 CB LYS A 129 -10.635 20.129 -9.332 1.00 0.00 C ATOM 2142 CG LYS A 129 -9.209 20.624 -9.152 1.00 0.00 C ATOM 2143 CD LYS A 129 -8.198 19.524 -9.436 1.00 0.00 C ATOM 2144 CE LYS A 129 -6.921 20.084 -10.040 1.00 0.00 C ATOM 2145 NZ LYS A 129 -5.978 20.571 -8.996 1.00 0.00 N ATOM 2146 OXT LYS A 129 -13.365 19.203 -8.988 1.00 0.00 O ATOM 0 H LYS A 129 -10.331 17.685 -9.388 1.00 0.00 H new ATOM 0 HA LYS A 129 -10.615 19.511 -7.273 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -10.706 19.586 -10.275 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -11.302 20.988 -9.407 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -9.028 21.467 -9.819 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -9.075 20.989 -8.134 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -7.964 18.996 -8.512 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -8.635 18.794 -10.118 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -6.434 19.313 -10.637 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -7.168 20.903 -10.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -5.113 20.929 -9.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -6.427 21.336 -8.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -5.735 19.788 -8.356 1.00 0.00 H new TER 2160 LYS A 129