USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 983 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 52 GLN : amide:sc= 2.12 K(o=3.4,f=-2.5) USER MOD Set 1.2: A 116 THR OG1 : rot -152:sc= 1.27 USER MOD Set 2.1: A 37 GLN : amide:sc= -0.227 K(o=-0.2,f=-4.6!) USER MOD Set 2.2: A 107 THR OG1 : rot 80:sc= 0.0238 USER MOD Set 3.1: A 78 LYS NZ :NH3+ -164:sc= 1.38 (180deg=-0.379) USER MOD Set 3.2: A 94 GLN : amide:sc= 0.756 K(o=2.1,f=-5!) USER MOD Set 4.1: A 1 GLN : amide:sc= 0 X(o=0,f=0.024) USER MOD Set 4.2: A 3 HIS : no HE2:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 1 GLN N :NH3+ -169:sc= -0.123 (180deg=-0.52) USER MOD Single : A 4 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.051) USER MOD Single : A 6 LYS NZ :NH3+ 149:sc= -2.18! (180deg=-4.03!) USER MOD Single : A 7 LYS NZ :NH3+ 162:sc= -0.0644 (180deg=-0.395) USER MOD Single : A 12 ASN : amide:sc=-0.00374 X(o=-0.0037,f=-0.38) USER MOD Single : A 16 HIS : no HE2:sc= -0.55! C(o=-0.55!,f=-6.7!) USER MOD Single : A 21 GLN : amide:sc= -0.0596 X(o=-0.06,f=-0.52) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.11 F(o=-2!,f=-1.1) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.163 K(o=-0.16,f=-1.1) USER MOD Single : A 39 GLN : amide:sc= -1.81! C(o=-1.8!,f=-7!) USER MOD Single : A 44 ASN : amide:sc= 0.134 K(o=0.13,f=-2.3!) USER MOD Single : A 46 ASN : amide:sc= -1.38 K(o=-1.4,f=-3.3!) USER MOD Single : A 47 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.121) USER MOD Single : A 48 SER OG : rot 180:sc= 0.00156 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -134:sc= -0.658 (180deg=-2.74!) USER MOD Single : A 63 CYS SG : rot 180:sc= -0.529 USER MOD Single : A 65 MET CE :methyl -112:sc= -0.678 (180deg=-1.82!) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.171 F(o=-1.3!,f=-0.17) USER MOD Single : A 80 THR OG1 : rot 53:sc= 0.934 USER MOD Single : A 83 ASN : amide:sc= 0.0808 K(o=0.081,f=-6.3!) USER MOD Single : A 89 ASN : amide:sc= 0.0836 K(o=0.084,f=-1.3) USER MOD Single : A 90 TYR OH : rot 41:sc= 1.21 USER MOD Single : A 95 THR OG1 : rot 70:sc= 1.18 USER MOD Single : A 97 SER OG : rot 71:sc= 1.22 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0485) USER MOD Single : A 105 LYS NZ :NH3+ -172:sc= 0.272 (180deg=0.0505) USER MOD Single : A 109 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.3) USER MOD Single : A 110 LYS NZ :NH3+ -130:sc= 1.21 (180deg=-0.0129) USER MOD Single : A 112 LYS NZ :NH3+ 128:sc= -0.179 (180deg=-0.776) USER MOD Single : A 115 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 25.680 26.181 15.129 1.00 0.00 N ATOM 2 CA GLN A 1 24.939 24.928 14.882 1.00 0.00 C ATOM 3 C GLN A 1 23.542 25.219 14.345 1.00 0.00 C ATOM 4 O GLN A 1 22.937 24.363 13.695 1.00 0.00 O ATOM 5 CB GLN A 1 24.840 24.098 16.165 1.00 0.00 C ATOM 6 CG GLN A 1 26.180 23.811 16.812 1.00 0.00 C ATOM 7 CD GLN A 1 26.065 22.888 18.002 1.00 0.00 C ATOM 8 OE1 GLN A 1 26.149 21.669 17.864 1.00 0.00 O ATOM 9 NE2 GLN A 1 25.871 23.457 19.175 1.00 0.00 N ATOM 0 H1 GLN A 1 26.680 25.962 15.313 1.00 0.00 H new ATOM 0 H2 GLN A 1 25.609 26.797 14.294 1.00 0.00 H new ATOM 0 H3 GLN A 1 25.274 26.667 15.954 1.00 0.00 H new ATOM 0 HA GLN A 1 25.488 24.357 14.133 1.00 0.00 H new ATOM 0 HB2 GLN A 1 24.207 24.625 16.879 1.00 0.00 H new ATOM 0 HB3 GLN A 1 24.347 23.153 15.938 1.00 0.00 H new ATOM 0 HG2 GLN A 1 26.847 23.365 16.074 1.00 0.00 H new ATOM 0 HG3 GLN A 1 26.635 24.750 17.128 1.00 0.00 H new ATOM 0 HE21 GLN A 1 25.807 24.473 19.245 1.00 0.00 H new ATOM 0 HE22 GLN A 1 25.785 22.882 20.013 1.00 0.00 H new ATOM 18 N GLU A 2 23.028 26.430 14.626 1.00 0.00 N ATOM 19 CA GLU A 2 21.696 26.847 14.170 1.00 0.00 C ATOM 20 C GLU A 2 20.618 25.928 14.730 1.00 0.00 C ATOM 21 O GLU A 2 20.116 25.048 14.036 1.00 0.00 O ATOM 22 CB GLU A 2 21.607 26.898 12.627 1.00 0.00 C ATOM 23 CG GLU A 2 22.327 28.082 11.984 1.00 0.00 C ATOM 24 CD GLU A 2 23.803 28.126 12.302 1.00 0.00 C ATOM 25 OE1 GLU A 2 24.583 27.397 11.654 1.00 0.00 O ATOM 26 OE2 GLU A 2 24.193 28.888 13.210 1.00 0.00 O ATOM 0 H GLU A 2 23.521 27.138 15.170 1.00 0.00 H new ATOM 0 HA GLU A 2 21.528 27.856 14.547 1.00 0.00 H new ATOM 0 HB2 GLU A 2 22.022 25.975 12.222 1.00 0.00 H new ATOM 0 HB3 GLU A 2 20.556 26.929 12.338 1.00 0.00 H new ATOM 0 HG2 GLU A 2 22.196 28.035 10.903 1.00 0.00 H new ATOM 0 HG3 GLU A 2 21.862 29.008 12.321 1.00 0.00 H new ATOM 33 N HIS A 3 20.281 26.127 15.991 1.00 0.00 N ATOM 34 CA HIS A 3 19.282 25.298 16.654 1.00 0.00 C ATOM 35 C HIS A 3 17.882 25.825 16.411 1.00 0.00 C ATOM 36 O HIS A 3 17.330 26.545 17.240 1.00 0.00 O ATOM 37 CB HIS A 3 19.537 25.216 18.165 1.00 0.00 C ATOM 38 CG HIS A 3 20.663 24.316 18.563 1.00 0.00 C ATOM 39 ND1 HIS A 3 20.497 22.978 18.814 1.00 0.00 N ATOM 40 CD2 HIS A 3 21.972 24.575 18.781 1.00 0.00 C ATOM 41 CE1 HIS A 3 21.645 22.451 19.172 1.00 0.00 C ATOM 42 NE2 HIS A 3 22.563 23.397 19.163 1.00 0.00 N ATOM 0 H HIS A 3 20.683 26.856 16.580 1.00 0.00 H new ATOM 0 HA HIS A 3 19.366 24.299 16.226 1.00 0.00 H new ATOM 0 HB2 HIS A 3 19.742 26.219 18.540 1.00 0.00 H new ATOM 0 HB3 HIS A 3 18.626 24.873 18.655 1.00 0.00 H new ATOM 0 HD1 HIS A 3 19.616 22.470 18.735 1.00 0.00 H new ATOM 0 HD2 HIS A 3 22.462 25.532 18.674 1.00 0.00 H new ATOM 0 HE1 HIS A 3 21.810 21.415 19.431 1.00 0.00 H new ATOM 51 N LYS A 4 17.341 25.525 15.241 1.00 0.00 N ATOM 52 CA LYS A 4 15.953 25.845 14.926 1.00 0.00 C ATOM 53 C LYS A 4 15.005 25.145 15.905 1.00 0.00 C ATOM 54 O LYS A 4 15.312 24.059 16.412 1.00 0.00 O ATOM 55 CB LYS A 4 15.628 25.402 13.494 1.00 0.00 C ATOM 56 CG LYS A 4 16.437 26.122 12.420 1.00 0.00 C ATOM 57 CD LYS A 4 16.278 25.454 11.053 1.00 0.00 C ATOM 58 CE LYS A 4 14.825 25.433 10.585 1.00 0.00 C ATOM 59 NZ LYS A 4 14.271 26.796 10.409 1.00 0.00 N ATOM 0 H LYS A 4 17.844 25.057 14.487 1.00 0.00 H new ATOM 0 HA LYS A 4 15.818 26.923 15.014 1.00 0.00 H new ATOM 0 HB2 LYS A 4 15.804 24.330 13.408 1.00 0.00 H new ATOM 0 HB3 LYS A 4 14.567 25.567 13.306 1.00 0.00 H new ATOM 0 HG2 LYS A 4 16.116 27.162 12.357 1.00 0.00 H new ATOM 0 HG3 LYS A 4 17.490 26.130 12.701 1.00 0.00 H new ATOM 0 HD2 LYS A 4 16.886 25.983 10.319 1.00 0.00 H new ATOM 0 HD3 LYS A 4 16.656 24.433 11.104 1.00 0.00 H new ATOM 0 HE2 LYS A 4 14.757 24.891 9.642 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.220 24.888 11.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 13.326 26.734 9.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.200 27.264 11.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 14.898 27.348 9.789 1.00 0.00 H new ATOM 73 N PRO A 5 13.851 25.761 16.188 1.00 0.00 N ATOM 74 CA PRO A 5 12.851 25.189 17.092 1.00 0.00 C ATOM 75 C PRO A 5 12.029 24.090 16.411 1.00 0.00 C ATOM 76 O PRO A 5 12.399 23.586 15.344 1.00 0.00 O ATOM 77 CB PRO A 5 11.961 26.392 17.414 1.00 0.00 C ATOM 78 CG PRO A 5 12.031 27.234 16.189 1.00 0.00 C ATOM 79 CD PRO A 5 13.430 27.073 15.656 1.00 0.00 C ATOM 0 HA PRO A 5 13.298 24.717 17.967 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.937 26.085 17.628 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.322 26.932 18.290 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.294 26.914 15.453 1.00 0.00 H new ATOM 0 HG3 PRO A 5 11.819 28.278 16.420 1.00 0.00 H new ATOM 0 HD2 PRO A 5 13.449 27.089 14.566 1.00 0.00 H new ATOM 0 HD3 PRO A 5 14.085 27.874 15.998 1.00 0.00 H new ATOM 87 N LYS A 6 10.917 23.721 17.025 1.00 0.00 N ATOM 88 CA LYS A 6 10.041 22.724 16.452 1.00 0.00 C ATOM 89 C LYS A 6 9.152 23.365 15.397 1.00 0.00 C ATOM 90 O LYS A 6 8.070 23.882 15.698 1.00 0.00 O ATOM 91 CB LYS A 6 9.200 22.046 17.528 1.00 0.00 C ATOM 92 CG LYS A 6 8.287 20.955 16.988 1.00 0.00 C ATOM 93 CD LYS A 6 7.721 20.080 18.095 1.00 0.00 C ATOM 94 CE LYS A 6 8.735 19.046 18.582 1.00 0.00 C ATOM 95 NZ LYS A 6 9.875 19.652 19.313 1.00 0.00 N ATOM 0 H LYS A 6 10.604 24.099 17.919 1.00 0.00 H new ATOM 0 HA LYS A 6 10.653 21.955 15.980 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.863 21.615 18.278 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.594 22.799 18.032 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.467 21.411 16.433 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.842 20.334 16.284 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.413 20.707 18.931 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.828 19.570 17.733 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.232 18.331 19.233 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.115 18.487 17.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.219 18.985 20.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.642 19.866 18.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.564 20.530 19.775 1.00 0.00 H new ATOM 109 N LYS A 7 9.629 23.356 14.171 1.00 0.00 N ATOM 110 CA LYS A 7 8.925 23.960 13.065 1.00 0.00 C ATOM 111 C LYS A 7 9.473 23.381 11.763 1.00 0.00 C ATOM 112 O LYS A 7 10.296 22.464 11.795 1.00 0.00 O ATOM 113 CB LYS A 7 9.125 25.490 13.112 1.00 0.00 C ATOM 114 CG LYS A 7 8.099 26.295 12.327 1.00 0.00 C ATOM 115 CD LYS A 7 8.272 27.784 12.561 1.00 0.00 C ATOM 116 CE LYS A 7 7.171 28.579 11.884 1.00 0.00 C ATOM 117 NZ LYS A 7 5.827 28.226 12.406 1.00 0.00 N ATOM 0 H LYS A 7 10.519 22.928 13.914 1.00 0.00 H new ATOM 0 HA LYS A 7 7.857 23.748 13.126 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.100 25.813 14.153 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.119 25.724 12.730 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.199 26.078 11.264 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.094 25.993 12.621 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.266 27.989 13.631 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.242 28.104 12.180 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.349 29.644 12.033 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.201 28.398 10.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.150 28.976 12.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.517 27.327 11.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.871 28.128 13.440 1.00 0.00 H new ATOM 131 N ASP A 8 9.001 23.897 10.633 1.00 0.00 N ATOM 132 CA ASP A 8 9.469 23.476 9.313 1.00 0.00 C ATOM 133 C ASP A 8 10.986 23.531 9.256 1.00 0.00 C ATOM 134 O ASP A 8 11.598 24.506 9.702 1.00 0.00 O ATOM 135 CB ASP A 8 8.871 24.380 8.229 1.00 0.00 C ATOM 136 CG ASP A 8 7.360 24.296 8.168 1.00 0.00 C ATOM 137 OD1 ASP A 8 6.697 24.634 9.175 1.00 0.00 O ATOM 138 OD2 ASP A 8 6.823 23.893 7.121 1.00 0.00 O ATOM 0 H ASP A 8 8.282 24.620 10.604 1.00 0.00 H new ATOM 0 HA ASP A 8 9.145 22.450 9.136 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.166 25.412 8.418 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.286 24.102 7.260 1.00 0.00 H new ATOM 143 N ASP A 9 11.592 22.499 8.705 1.00 0.00 N ATOM 144 CA ASP A 9 13.046 22.404 8.668 1.00 0.00 C ATOM 145 C ASP A 9 13.616 23.259 7.546 1.00 0.00 C ATOM 146 O ASP A 9 14.705 23.833 7.672 1.00 0.00 O ATOM 147 CB ASP A 9 13.472 20.946 8.489 1.00 0.00 C ATOM 148 CG ASP A 9 14.951 20.737 8.707 1.00 0.00 C ATOM 149 OD1 ASP A 9 15.732 20.860 7.740 1.00 0.00 O ATOM 150 OD2 ASP A 9 15.347 20.442 9.849 1.00 0.00 O ATOM 0 H ASP A 9 11.105 21.712 8.276 1.00 0.00 H new ATOM 0 HA ASP A 9 13.439 22.776 9.614 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.915 20.321 9.187 1.00 0.00 H new ATOM 0 HB3 ASP A 9 13.207 20.616 7.485 1.00 0.00 H new ATOM 155 N PHE A 10 12.870 23.352 6.460 1.00 0.00 N ATOM 156 CA PHE A 10 13.290 24.114 5.297 1.00 0.00 C ATOM 157 C PHE A 10 12.600 25.484 5.273 1.00 0.00 C ATOM 158 O PHE A 10 12.380 26.105 6.319 1.00 0.00 O ATOM 159 CB PHE A 10 12.963 23.335 4.009 1.00 0.00 C ATOM 160 CG PHE A 10 13.666 22.008 3.890 1.00 0.00 C ATOM 161 CD1 PHE A 10 13.311 20.949 4.704 1.00 0.00 C ATOM 162 CD2 PHE A 10 14.671 21.822 2.957 1.00 0.00 C ATOM 163 CE1 PHE A 10 13.944 19.727 4.596 1.00 0.00 C ATOM 164 CE2 PHE A 10 15.311 20.602 2.843 1.00 0.00 C ATOM 165 CZ PHE A 10 14.947 19.554 3.664 1.00 0.00 C ATOM 0 H PHE A 10 11.959 22.904 6.359 1.00 0.00 H new ATOM 0 HA PHE A 10 14.367 24.270 5.355 1.00 0.00 H new ATOM 0 HB2 PHE A 10 11.887 23.168 3.963 1.00 0.00 H new ATOM 0 HB3 PHE A 10 13.227 23.951 3.149 1.00 0.00 H new ATOM 0 HD1 PHE A 10 12.527 21.079 5.435 1.00 0.00 H new ATOM 0 HD2 PHE A 10 14.958 22.639 2.311 1.00 0.00 H new ATOM 0 HE1 PHE A 10 13.655 18.909 5.239 1.00 0.00 H new ATOM 0 HE2 PHE A 10 16.095 20.469 2.112 1.00 0.00 H new ATOM 0 HZ PHE A 10 15.446 18.600 3.577 1.00 0.00 H new ATOM 175 N ARG A 11 12.267 25.951 4.078 1.00 0.00 N ATOM 176 CA ARG A 11 11.583 27.220 3.918 1.00 0.00 C ATOM 177 C ARG A 11 10.103 26.975 3.687 1.00 0.00 C ATOM 178 O ARG A 11 9.691 25.848 3.441 1.00 0.00 O ATOM 179 CB ARG A 11 12.166 28.042 2.753 1.00 0.00 C ATOM 180 CG ARG A 11 13.596 28.530 2.970 1.00 0.00 C ATOM 181 CD ARG A 11 14.621 27.450 2.669 1.00 0.00 C ATOM 182 NE ARG A 11 14.668 27.118 1.245 1.00 0.00 N ATOM 183 CZ ARG A 11 15.640 26.402 0.671 1.00 0.00 C ATOM 184 NH1 ARG A 11 16.648 25.932 1.406 1.00 0.00 N ATOM 185 NH2 ARG A 11 15.603 26.161 -0.630 1.00 0.00 N ATOM 0 H ARG A 11 12.462 25.465 3.203 1.00 0.00 H new ATOM 0 HA ARG A 11 11.726 27.796 4.832 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.137 27.435 1.848 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.524 28.906 2.579 1.00 0.00 H new ATOM 0 HG2 ARG A 11 13.784 29.395 2.334 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.712 28.862 4.002 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.606 27.784 2.996 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.382 26.554 3.242 1.00 0.00 H new ATOM 0 HE ARG A 11 13.910 27.455 0.652 1.00 0.00 H new ATOM 0 HH11 ARG A 11 16.679 26.118 2.408 1.00 0.00 H new ATOM 0 HH12 ARG A 11 17.389 25.386 0.966 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.833 26.522 -1.194 1.00 0.00 H new ATOM 0 HH22 ARG A 11 16.344 25.615 -1.069 1.00 0.00 H new ATOM 199 N ASN A 12 9.312 28.031 3.740 1.00 0.00 N ATOM 200 CA ASN A 12 7.857 27.927 3.548 1.00 0.00 C ATOM 201 C ASN A 12 7.497 27.799 2.059 1.00 0.00 C ATOM 202 O ASN A 12 6.355 28.034 1.661 1.00 0.00 O ATOM 203 CB ASN A 12 7.159 29.150 4.162 1.00 0.00 C ATOM 204 CG ASN A 12 7.490 30.442 3.434 1.00 0.00 C ATOM 205 OD1 ASN A 12 8.523 31.059 3.682 1.00 0.00 O ATOM 206 ND2 ASN A 12 6.607 30.868 2.552 1.00 0.00 N ATOM 0 H ASN A 12 9.644 28.979 3.915 1.00 0.00 H new ATOM 0 HA ASN A 12 7.511 27.025 4.053 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.080 28.994 4.145 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.451 29.242 5.208 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.770 31.739 2.047 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.761 30.326 2.375 1.00 0.00 H new ATOM 213 N GLU A 13 8.464 27.378 1.254 1.00 0.00 N ATOM 214 CA GLU A 13 8.286 27.239 -0.193 1.00 0.00 C ATOM 215 C GLU A 13 7.635 25.892 -0.536 1.00 0.00 C ATOM 216 O GLU A 13 7.903 25.301 -1.581 1.00 0.00 O ATOM 217 CB GLU A 13 9.639 27.365 -0.889 1.00 0.00 C ATOM 218 CG GLU A 13 10.402 28.622 -0.513 1.00 0.00 C ATOM 219 CD GLU A 13 11.737 28.725 -1.208 1.00 0.00 C ATOM 220 OE1 GLU A 13 12.674 27.985 -0.827 1.00 0.00 O ATOM 221 OE2 GLU A 13 11.866 29.548 -2.137 1.00 0.00 O ATOM 0 H GLU A 13 9.395 27.122 1.582 1.00 0.00 H new ATOM 0 HA GLU A 13 7.625 28.032 -0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.247 26.494 -0.643 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.485 27.353 -1.968 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.799 29.496 -0.762 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.557 28.639 0.566 1.00 0.00 H new ATOM 228 N PHE A 14 6.757 25.443 0.337 1.00 0.00 N ATOM 229 CA PHE A 14 6.103 24.161 0.176 1.00 0.00 C ATOM 230 C PHE A 14 4.786 24.306 -0.567 1.00 0.00 C ATOM 231 O PHE A 14 3.711 24.172 0.021 1.00 0.00 O ATOM 232 CB PHE A 14 5.868 23.486 1.531 1.00 0.00 C ATOM 233 CG PHE A 14 7.124 23.049 2.233 1.00 0.00 C ATOM 234 CD1 PHE A 14 8.032 22.211 1.601 1.00 0.00 C ATOM 235 CD2 PHE A 14 7.390 23.465 3.524 1.00 0.00 C ATOM 236 CE1 PHE A 14 9.181 21.801 2.248 1.00 0.00 C ATOM 237 CE2 PHE A 14 8.537 23.054 4.179 1.00 0.00 C ATOM 238 CZ PHE A 14 9.433 22.220 3.538 1.00 0.00 C ATOM 0 H PHE A 14 6.478 25.954 1.174 1.00 0.00 H new ATOM 0 HA PHE A 14 6.767 23.530 -0.415 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.326 24.176 2.178 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.227 22.617 1.384 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.838 21.876 0.593 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.694 24.119 4.028 1.00 0.00 H new ATOM 0 HE1 PHE A 14 9.882 21.152 1.744 1.00 0.00 H new ATOM 0 HE2 PHE A 14 8.732 23.384 5.189 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.329 21.897 4.046 1.00 0.00 H new ATOM 248 N ASP A 15 4.863 24.636 -1.845 1.00 0.00 N ATOM 249 CA ASP A 15 3.663 24.750 -2.661 1.00 0.00 C ATOM 250 C ASP A 15 3.123 23.367 -3.002 1.00 0.00 C ATOM 251 O ASP A 15 1.920 23.153 -3.061 1.00 0.00 O ATOM 252 CB ASP A 15 3.922 25.564 -3.931 1.00 0.00 C ATOM 253 CG ASP A 15 2.643 25.854 -4.706 1.00 0.00 C ATOM 254 OD1 ASP A 15 1.675 26.366 -4.097 1.00 0.00 O ATOM 255 OD2 ASP A 15 2.605 25.596 -5.926 1.00 0.00 O ATOM 0 H ASP A 15 5.735 24.829 -2.338 1.00 0.00 H new ATOM 0 HA ASP A 15 2.911 25.285 -2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.403 26.505 -3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.617 25.021 -4.572 1.00 0.00 H new ATOM 260 N HIS A 16 4.038 22.424 -3.217 1.00 0.00 N ATOM 261 CA HIS A 16 3.663 21.047 -3.531 1.00 0.00 C ATOM 262 C HIS A 16 4.371 20.093 -2.579 1.00 0.00 C ATOM 263 O HIS A 16 5.346 19.447 -2.958 1.00 0.00 O ATOM 264 CB HIS A 16 4.039 20.672 -4.980 1.00 0.00 C ATOM 265 CG HIS A 16 3.596 21.649 -6.026 1.00 0.00 C ATOM 266 ND1 HIS A 16 2.464 21.486 -6.786 1.00 0.00 N ATOM 267 CD2 HIS A 16 4.157 22.801 -6.445 1.00 0.00 C ATOM 268 CE1 HIS A 16 2.349 22.491 -7.623 1.00 0.00 C ATOM 269 NE2 HIS A 16 3.364 23.307 -7.437 1.00 0.00 N ATOM 0 H HIS A 16 5.044 22.588 -3.180 1.00 0.00 H new ATOM 0 HA HIS A 16 2.582 20.966 -3.420 1.00 0.00 H new ATOM 0 HB2 HIS A 16 5.122 20.564 -5.041 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.608 19.697 -5.210 1.00 0.00 H new ATOM 0 HD1 HIS A 16 1.813 20.704 -6.712 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.067 23.243 -6.066 1.00 0.00 H new ATOM 0 HE1 HIS A 16 1.555 22.625 -8.343 1.00 0.00 H new ATOM 278 N LEU A 17 3.906 20.015 -1.344 1.00 0.00 N ATOM 279 CA LEU A 17 4.467 19.075 -0.380 1.00 0.00 C ATOM 280 C LEU A 17 3.566 17.847 -0.313 1.00 0.00 C ATOM 281 O LEU A 17 4.018 16.727 -0.048 1.00 0.00 O ATOM 282 CB LEU A 17 4.596 19.754 1.006 1.00 0.00 C ATOM 283 CG LEU A 17 5.277 18.943 2.130 1.00 0.00 C ATOM 284 CD1 LEU A 17 5.789 19.875 3.213 1.00 0.00 C ATOM 285 CD2 LEU A 17 4.315 17.938 2.744 1.00 0.00 C ATOM 0 H LEU A 17 3.144 20.588 -0.983 1.00 0.00 H new ATOM 0 HA LEU A 17 5.465 18.765 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.151 20.683 0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.596 20.025 1.344 1.00 0.00 H new ATOM 0 HG LEU A 17 6.113 18.400 1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.267 19.291 4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.513 20.568 2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.955 20.437 3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.823 17.382 3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.459 18.465 3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.972 17.246 1.975 1.00 0.00 H new ATOM 297 N LEU A 18 2.287 18.072 -0.581 1.00 0.00 N ATOM 298 CA LEU A 18 1.273 17.019 -0.570 1.00 0.00 C ATOM 299 C LEU A 18 1.681 15.881 -1.498 1.00 0.00 C ATOM 300 O LEU A 18 1.626 14.701 -1.125 1.00 0.00 O ATOM 301 CB LEU A 18 -0.089 17.591 -1.005 1.00 0.00 C ATOM 302 CG LEU A 18 -0.861 18.441 0.033 1.00 0.00 C ATOM 303 CD1 LEU A 18 0.008 19.534 0.632 1.00 0.00 C ATOM 304 CD2 LEU A 18 -2.085 19.058 -0.609 1.00 0.00 C ATOM 0 H LEU A 18 1.919 18.994 -0.814 1.00 0.00 H new ATOM 0 HA LEU A 18 1.186 16.630 0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.069 18.203 -1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.727 16.758 -1.301 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.163 17.775 0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.574 20.106 1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.866 19.084 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.356 20.197 -0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.622 19.654 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.779 19.696 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.738 18.268 -0.981 1.00 0.00 H new ATOM 316 N ILE A 19 2.112 16.244 -2.696 1.00 0.00 N ATOM 317 CA ILE A 19 2.553 15.271 -3.672 1.00 0.00 C ATOM 318 C ILE A 19 3.792 14.527 -3.182 1.00 0.00 C ATOM 319 O ILE A 19 3.910 13.341 -3.393 1.00 0.00 O ATOM 320 CB ILE A 19 2.830 15.923 -5.053 1.00 0.00 C ATOM 321 CG1 ILE A 19 1.529 16.459 -5.650 1.00 0.00 C ATOM 322 CG2 ILE A 19 3.469 14.922 -6.016 1.00 0.00 C ATOM 323 CD1 ILE A 19 0.530 15.378 -6.003 1.00 0.00 C ATOM 0 H ILE A 19 2.164 17.212 -3.013 1.00 0.00 H new ATOM 0 HA ILE A 19 1.741 14.555 -3.797 1.00 0.00 H new ATOM 0 HB ILE A 19 3.527 16.748 -4.904 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.070 17.147 -4.940 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.761 17.034 -6.547 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.652 15.406 -6.975 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.414 14.570 -5.601 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.798 14.075 -6.159 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.367 15.834 -6.421 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.969 14.702 -6.737 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.268 14.818 -5.106 1.00 0.00 H new ATOM 335 N GLU A 20 4.694 15.230 -2.491 1.00 0.00 N ATOM 336 CA GLU A 20 5.923 14.604 -1.975 1.00 0.00 C ATOM 337 C GLU A 20 5.589 13.412 -1.082 1.00 0.00 C ATOM 338 O GLU A 20 6.145 12.327 -1.241 1.00 0.00 O ATOM 339 CB GLU A 20 6.760 15.606 -1.169 1.00 0.00 C ATOM 340 CG GLU A 20 7.135 16.868 -1.918 1.00 0.00 C ATOM 341 CD GLU A 20 8.117 17.724 -1.145 1.00 0.00 C ATOM 342 OE1 GLU A 20 9.340 17.535 -1.308 1.00 0.00 O ATOM 343 OE2 GLU A 20 7.674 18.591 -0.367 1.00 0.00 O ATOM 0 H GLU A 20 4.602 16.223 -2.276 1.00 0.00 H new ATOM 0 HA GLU A 20 6.499 14.267 -2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.205 15.884 -0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.673 15.112 -0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.569 16.601 -2.881 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.235 17.447 -2.124 1.00 0.00 H new ATOM 350 N GLN A 21 4.657 13.621 -0.163 1.00 0.00 N ATOM 351 CA GLN A 21 4.268 12.585 0.787 1.00 0.00 C ATOM 352 C GLN A 21 3.545 11.424 0.101 1.00 0.00 C ATOM 353 O GLN A 21 3.746 10.255 0.453 1.00 0.00 O ATOM 354 CB GLN A 21 3.398 13.178 1.896 1.00 0.00 C ATOM 355 CG GLN A 21 4.084 14.292 2.671 1.00 0.00 C ATOM 356 CD GLN A 21 5.361 13.838 3.363 1.00 0.00 C ATOM 357 OE1 GLN A 21 5.480 12.688 3.789 1.00 0.00 O ATOM 358 NE2 GLN A 21 6.325 14.734 3.465 1.00 0.00 N ATOM 0 H GLN A 21 4.154 14.502 -0.054 1.00 0.00 H new ATOM 0 HA GLN A 21 5.181 12.185 1.228 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.477 13.564 1.458 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.114 12.385 2.588 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.318 15.110 1.990 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.394 14.686 3.417 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.186 15.676 3.099 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.208 14.484 3.910 1.00 0.00 H new ATOM 367 N ALA A 22 2.733 11.744 -0.903 1.00 0.00 N ATOM 368 CA ALA A 22 1.970 10.726 -1.618 1.00 0.00 C ATOM 369 C ALA A 22 2.881 9.950 -2.561 1.00 0.00 C ATOM 370 O ALA A 22 2.806 8.724 -2.671 1.00 0.00 O ATOM 371 CB ALA A 22 0.831 11.375 -2.394 1.00 0.00 C ATOM 0 H ALA A 22 2.587 12.696 -1.239 1.00 0.00 H new ATOM 0 HA ALA A 22 1.547 10.029 -0.894 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.268 10.607 -2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.170 11.897 -1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.239 12.086 -3.112 1.00 0.00 H new ATOM 377 N ASN A 23 3.752 10.694 -3.213 1.00 0.00 N ATOM 378 CA ASN A 23 4.711 10.155 -4.163 1.00 0.00 C ATOM 379 C ASN A 23 5.673 9.216 -3.463 1.00 0.00 C ATOM 380 O ASN A 23 6.024 8.166 -3.985 1.00 0.00 O ATOM 381 CB ASN A 23 5.479 11.299 -4.841 1.00 0.00 C ATOM 382 CG ASN A 23 6.418 10.837 -5.935 1.00 0.00 C ATOM 383 OD1 ASN A 23 6.186 9.825 -6.589 1.00 0.00 O ATOM 384 ND2 ASN A 23 7.477 11.593 -6.151 1.00 0.00 N ATOM 0 H ASN A 23 3.816 11.705 -3.098 1.00 0.00 H new ATOM 0 HA ASN A 23 4.173 9.593 -4.926 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.764 12.005 -5.263 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.052 11.838 -4.086 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.140 11.344 -6.885 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.633 12.427 -5.584 1.00 0.00 H new ATOM 391 N HIS A 24 6.080 9.578 -2.259 1.00 0.00 N ATOM 392 CA HIS A 24 6.999 8.744 -1.523 1.00 0.00 C ATOM 393 C HIS A 24 6.306 7.483 -1.018 1.00 0.00 C ATOM 394 O HIS A 24 6.929 6.423 -0.940 1.00 0.00 O ATOM 395 CB HIS A 24 7.657 9.492 -0.365 1.00 0.00 C ATOM 396 CG HIS A 24 8.855 8.780 0.183 1.00 0.00 C ATOM 397 ND1 HIS A 24 8.842 8.072 1.362 1.00 0.00 N ATOM 398 CD2 HIS A 24 10.110 8.657 -0.311 1.00 0.00 C ATOM 399 CE1 HIS A 24 10.033 7.544 1.571 1.00 0.00 C ATOM 400 NE2 HIS A 24 10.820 7.884 0.570 1.00 0.00 N ATOM 0 H HIS A 24 5.791 10.431 -1.780 1.00 0.00 H new ATOM 0 HA HIS A 24 7.789 8.456 -2.216 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.954 10.485 -0.702 1.00 0.00 H new ATOM 0 HB3 HIS A 24 6.927 9.631 0.432 1.00 0.00 H new ATOM 0 HD2 HIS A 24 10.482 9.088 -1.229 1.00 0.00 H new ATOM 0 HE1 HIS A 24 10.315 6.937 2.418 1.00 0.00 H new ATOM 0 HE2 HIS A 24 11.799 7.615 0.468 1.00 0.00 H new ATOM 409 N ALA A 25 5.018 7.586 -0.666 1.00 0.00 N ATOM 410 CA ALA A 25 4.269 6.428 -0.206 1.00 0.00 C ATOM 411 C ALA A 25 4.163 5.371 -1.296 1.00 0.00 C ATOM 412 O ALA A 25 4.338 4.180 -1.030 1.00 0.00 O ATOM 413 CB ALA A 25 2.883 6.850 0.260 1.00 0.00 C ATOM 0 H ALA A 25 4.484 8.455 -0.693 1.00 0.00 H new ATOM 0 HA ALA A 25 4.807 5.989 0.634 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.332 5.974 0.602 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.976 7.563 1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.347 7.316 -0.567 1.00 0.00 H new ATOM 419 N ILE A 26 3.887 5.800 -2.528 1.00 0.00 N ATOM 420 CA ILE A 26 3.783 4.858 -3.634 1.00 0.00 C ATOM 421 C ILE A 26 5.143 4.248 -3.957 1.00 0.00 C ATOM 422 O ILE A 26 5.222 3.098 -4.379 1.00 0.00 O ATOM 423 CB ILE A 26 3.137 5.468 -4.909 1.00 0.00 C ATOM 424 CG1 ILE A 26 3.914 6.687 -5.400 1.00 0.00 C ATOM 425 CG2 ILE A 26 1.680 5.828 -4.640 1.00 0.00 C ATOM 426 CD1 ILE A 26 3.358 7.308 -6.664 1.00 0.00 C ATOM 0 H ILE A 26 3.734 6.777 -2.779 1.00 0.00 H new ATOM 0 HA ILE A 26 3.109 4.070 -3.298 1.00 0.00 H new ATOM 0 HB ILE A 26 3.173 4.717 -5.698 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.923 7.440 -4.612 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.950 6.397 -5.576 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.238 6.254 -5.541 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.130 4.931 -4.356 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.629 6.556 -3.831 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.967 8.167 -6.945 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.375 6.573 -7.468 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.332 7.632 -6.489 1.00 0.00 H new ATOM 438 N GLU A 27 6.218 5.022 -3.750 1.00 0.00 N ATOM 439 CA GLU A 27 7.570 4.488 -3.919 1.00 0.00 C ATOM 440 C GLU A 27 7.805 3.370 -2.917 1.00 0.00 C ATOM 441 O GLU A 27 8.397 2.333 -3.239 1.00 0.00 O ATOM 442 CB GLU A 27 8.630 5.563 -3.707 1.00 0.00 C ATOM 443 CG GLU A 27 8.606 6.681 -4.724 1.00 0.00 C ATOM 444 CD GLU A 27 9.696 7.688 -4.474 1.00 0.00 C ATOM 445 OE1 GLU A 27 9.545 8.522 -3.562 1.00 0.00 O ATOM 446 OE2 GLU A 27 10.727 7.647 -5.187 1.00 0.00 O ATOM 0 H GLU A 27 6.177 6.002 -3.470 1.00 0.00 H new ATOM 0 HA GLU A 27 7.653 4.115 -4.940 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.500 5.991 -2.713 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.613 5.093 -3.726 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.719 6.264 -5.725 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.637 7.179 -4.694 1.00 0.00 H new ATOM 453 N LYS A 28 7.321 3.580 -1.698 1.00 0.00 N ATOM 454 CA LYS A 28 7.446 2.593 -0.642 1.00 0.00 C ATOM 455 C LYS A 28 6.629 1.361 -1.005 1.00 0.00 C ATOM 456 O LYS A 28 7.101 0.227 -0.876 1.00 0.00 O ATOM 457 CB LYS A 28 6.962 3.178 0.693 1.00 0.00 C ATOM 458 CG LYS A 28 7.100 2.234 1.882 1.00 0.00 C ATOM 459 CD LYS A 28 6.503 2.838 3.153 1.00 0.00 C ATOM 460 CE LYS A 28 7.228 4.113 3.568 1.00 0.00 C ATOM 461 NZ LYS A 28 6.656 4.700 4.807 1.00 0.00 N ATOM 0 H LYS A 28 6.836 4.433 -1.419 1.00 0.00 H new ATOM 0 HA LYS A 28 8.493 2.312 -0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.523 4.089 0.901 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.915 3.464 0.592 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.602 1.291 1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.153 2.007 2.047 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.448 3.056 2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.557 2.109 3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.284 3.895 3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.169 4.843 2.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.178 5.565 5.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.654 4.932 4.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.735 4.014 5.585 1.00 0.00 H new ATOM 475 N GLY A 29 5.405 1.601 -1.482 1.00 0.00 N ATOM 476 CA GLY A 29 4.540 0.524 -1.910 1.00 0.00 C ATOM 477 C GLY A 29 5.152 -0.283 -3.034 1.00 0.00 C ATOM 478 O GLY A 29 5.060 -1.499 -3.061 1.00 0.00 O ATOM 0 H GLY A 29 5.001 2.533 -1.577 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.332 -0.132 -1.064 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.585 0.935 -2.237 1.00 0.00 H new ATOM 482 N GLU A 30 5.799 0.418 -3.953 1.00 0.00 N ATOM 483 CA GLU A 30 6.456 -0.195 -5.096 1.00 0.00 C ATOM 484 C GLU A 30 7.509 -1.199 -4.636 1.00 0.00 C ATOM 485 O GLU A 30 7.580 -2.323 -5.137 1.00 0.00 O ATOM 486 CB GLU A 30 7.104 0.900 -5.948 1.00 0.00 C ATOM 487 CG GLU A 30 7.884 0.390 -7.149 1.00 0.00 C ATOM 488 CD GLU A 30 8.645 1.495 -7.847 1.00 0.00 C ATOM 489 OE1 GLU A 30 9.771 1.819 -7.406 1.00 0.00 O ATOM 490 OE2 GLU A 30 8.124 2.048 -8.835 1.00 0.00 O ATOM 0 H GLU A 30 5.883 1.434 -3.926 1.00 0.00 H new ATOM 0 HA GLU A 30 5.716 -0.731 -5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.325 1.578 -6.298 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.775 1.484 -5.317 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.583 -0.382 -6.825 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.197 -0.077 -7.854 1.00 0.00 H new ATOM 497 N HIS A 31 8.303 -0.793 -3.655 1.00 0.00 N ATOM 498 CA HIS A 31 9.378 -1.624 -3.146 1.00 0.00 C ATOM 499 C HIS A 31 8.828 -2.855 -2.433 1.00 0.00 C ATOM 500 O HIS A 31 9.311 -3.966 -2.637 1.00 0.00 O ATOM 501 CB HIS A 31 10.270 -0.823 -2.193 1.00 0.00 C ATOM 502 CG HIS A 31 11.524 -1.536 -1.782 1.00 0.00 C ATOM 503 ND1 HIS A 31 11.602 -2.364 -0.680 1.00 0.00 N ATOM 504 CD2 HIS A 31 12.759 -1.542 -2.335 1.00 0.00 C ATOM 505 CE1 HIS A 31 12.824 -2.844 -0.578 1.00 0.00 C ATOM 506 NE2 HIS A 31 13.544 -2.362 -1.567 1.00 0.00 N ATOM 0 H HIS A 31 8.219 0.114 -3.195 1.00 0.00 H new ATOM 0 HA HIS A 31 9.975 -1.956 -3.996 1.00 0.00 H new ATOM 0 HB2 HIS A 31 10.540 0.119 -2.671 1.00 0.00 H new ATOM 0 HB3 HIS A 31 9.697 -0.574 -1.300 1.00 0.00 H new ATOM 0 HD2 HIS A 31 13.068 -1.001 -3.217 1.00 0.00 H new ATOM 0 HE1 HIS A 31 13.175 -3.519 0.188 1.00 0.00 H new ATOM 0 HE2 HIS A 31 14.529 -2.566 -1.736 1.00 0.00 H new ATOM 515 N GLN A 32 7.804 -2.657 -1.613 1.00 0.00 N ATOM 516 CA GLN A 32 7.231 -3.752 -0.842 1.00 0.00 C ATOM 517 C GLN A 32 6.408 -4.679 -1.738 1.00 0.00 C ATOM 518 O GLN A 32 6.304 -5.871 -1.465 1.00 0.00 O ATOM 519 CB GLN A 32 6.414 -3.215 0.362 1.00 0.00 C ATOM 520 CG GLN A 32 5.186 -2.370 0.010 1.00 0.00 C ATOM 521 CD GLN A 32 3.946 -3.188 -0.343 1.00 0.00 C ATOM 522 OE1 GLN A 32 3.794 -4.351 0.272 1.00 0.00 O flip ATOM 523 NE2 GLN A 32 3.124 -2.765 -1.145 1.00 0.00 N flip ATOM 0 H GLN A 32 7.355 -1.753 -1.465 1.00 0.00 H new ATOM 0 HA GLN A 32 8.045 -4.349 -0.431 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.088 -4.064 0.963 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.076 -2.617 0.988 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.952 -1.720 0.853 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.433 -1.723 -0.832 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.273 -1.865 -1.601 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.290 -3.313 -1.358 1.00 0.00 H new ATOM 532 N LEU A 33 5.848 -4.141 -2.811 1.00 0.00 N ATOM 533 CA LEU A 33 5.111 -4.961 -3.757 1.00 0.00 C ATOM 534 C LEU A 33 6.069 -5.933 -4.430 1.00 0.00 C ATOM 535 O LEU A 33 5.828 -7.136 -4.452 1.00 0.00 O ATOM 536 CB LEU A 33 4.379 -4.076 -4.793 1.00 0.00 C ATOM 537 CG LEU A 33 3.539 -4.793 -5.884 1.00 0.00 C ATOM 538 CD1 LEU A 33 4.372 -5.072 -7.125 1.00 0.00 C ATOM 539 CD2 LEU A 33 2.925 -6.093 -5.353 1.00 0.00 C ATOM 0 H LEU A 33 5.890 -3.149 -3.046 1.00 0.00 H new ATOM 0 HA LEU A 33 4.349 -5.533 -3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.718 -3.400 -4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.125 -3.459 -5.294 1.00 0.00 H new ATOM 0 HG LEU A 33 2.727 -4.120 -6.159 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.756 -5.575 -7.871 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.742 -4.132 -7.534 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.216 -5.710 -6.861 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.343 -6.570 -6.142 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.720 -6.766 -5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.274 -5.869 -4.508 1.00 0.00 H new ATOM 551 N LEU A 34 7.187 -5.412 -4.920 1.00 0.00 N ATOM 552 CA LEU A 34 8.189 -6.246 -5.574 1.00 0.00 C ATOM 553 C LEU A 34 8.796 -7.212 -4.562 1.00 0.00 C ATOM 554 O LEU A 34 9.249 -8.308 -4.906 1.00 0.00 O ATOM 555 CB LEU A 34 9.290 -5.374 -6.188 1.00 0.00 C ATOM 556 CG LEU A 34 8.834 -4.358 -7.238 1.00 0.00 C ATOM 557 CD1 LEU A 34 9.999 -3.491 -7.685 1.00 0.00 C ATOM 558 CD2 LEU A 34 8.204 -5.064 -8.430 1.00 0.00 C ATOM 0 H LEU A 34 7.423 -4.420 -4.878 1.00 0.00 H new ATOM 0 HA LEU A 34 7.708 -6.814 -6.371 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.790 -4.835 -5.383 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.033 -6.029 -6.643 1.00 0.00 H new ATOM 0 HG LEU A 34 8.081 -3.713 -6.785 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.654 -2.775 -8.431 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.403 -2.954 -6.827 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.776 -4.121 -8.118 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.887 -4.324 -9.165 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.934 -5.735 -8.883 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.340 -5.639 -8.097 1.00 0.00 H new ATOM 570 N TYR A 35 8.774 -6.792 -3.306 1.00 0.00 N ATOM 571 CA TYR A 35 9.315 -7.581 -2.217 1.00 0.00 C ATOM 572 C TYR A 35 8.474 -8.841 -2.010 1.00 0.00 C ATOM 573 O TYR A 35 8.982 -9.963 -2.090 1.00 0.00 O ATOM 574 CB TYR A 35 9.380 -6.760 -0.922 1.00 0.00 C ATOM 575 CG TYR A 35 10.028 -7.491 0.238 1.00 0.00 C ATOM 576 CD1 TYR A 35 9.280 -8.318 1.068 1.00 0.00 C ATOM 577 CD2 TYR A 35 11.386 -7.356 0.500 1.00 0.00 C ATOM 578 CE1 TYR A 35 9.857 -8.987 2.120 1.00 0.00 C ATOM 579 CE2 TYR A 35 11.976 -8.024 1.555 1.00 0.00 C ATOM 580 CZ TYR A 35 11.209 -8.838 2.364 1.00 0.00 C ATOM 581 OH TYR A 35 11.794 -9.501 3.421 1.00 0.00 O ATOM 0 H TYR A 35 8.381 -5.896 -3.017 1.00 0.00 H new ATOM 0 HA TYR A 35 10.331 -7.875 -2.480 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.933 -5.841 -1.114 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.369 -6.470 -0.636 1.00 0.00 H new ATOM 0 HD1 TYR A 35 8.223 -8.437 0.882 1.00 0.00 H new ATOM 0 HD2 TYR A 35 11.989 -6.719 -0.131 1.00 0.00 H new ATOM 0 HE1 TYR A 35 9.258 -9.625 2.752 1.00 0.00 H new ATOM 0 HE2 TYR A 35 13.033 -7.910 1.746 1.00 0.00 H new ATOM 0 HH TYR A 35 12.750 -9.288 3.452 1.00 0.00 H new ATOM 591 N LEU A 36 7.175 -8.644 -1.748 1.00 0.00 N ATOM 592 CA LEU A 36 6.259 -9.758 -1.520 1.00 0.00 C ATOM 593 C LEU A 36 6.105 -10.631 -2.763 1.00 0.00 C ATOM 594 O LEU A 36 5.887 -11.836 -2.647 1.00 0.00 O ATOM 595 CB LEU A 36 4.884 -9.274 -1.025 1.00 0.00 C ATOM 596 CG LEU A 36 4.759 -8.951 0.482 1.00 0.00 C ATOM 597 CD1 LEU A 36 5.268 -10.103 1.335 1.00 0.00 C ATOM 598 CD2 LEU A 36 5.471 -7.657 0.837 1.00 0.00 C ATOM 0 H LEU A 36 6.740 -7.723 -1.690 1.00 0.00 H new ATOM 0 HA LEU A 36 6.703 -10.370 -0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.616 -8.380 -1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.146 -10.038 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 36 3.699 -8.814 0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.167 -9.847 2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.685 -10.999 1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.317 -10.290 1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.362 -7.462 1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.529 -7.745 0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.034 -6.834 0.272 1.00 0.00 H new ATOM 610 N GLN A 37 6.218 -10.027 -3.952 1.00 0.00 N ATOM 611 CA GLN A 37 6.125 -10.791 -5.198 1.00 0.00 C ATOM 612 C GLN A 37 7.226 -11.859 -5.243 1.00 0.00 C ATOM 613 O GLN A 37 7.008 -12.986 -5.705 1.00 0.00 O ATOM 614 CB GLN A 37 6.221 -9.870 -6.426 1.00 0.00 C ATOM 615 CG GLN A 37 4.996 -8.982 -6.633 1.00 0.00 C ATOM 616 CD GLN A 37 3.766 -9.745 -7.105 1.00 0.00 C ATOM 617 OE1 GLN A 37 3.610 -10.938 -6.842 1.00 0.00 O ATOM 618 NE2 GLN A 37 2.861 -9.054 -7.773 1.00 0.00 N ATOM 0 H GLN A 37 6.372 -9.026 -4.076 1.00 0.00 H new ATOM 0 HA GLN A 37 5.152 -11.281 -5.225 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.103 -9.237 -6.325 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.368 -10.482 -7.316 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.762 -8.475 -5.697 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.237 -8.209 -7.363 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.020 -8.067 -7.975 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.003 -9.507 -8.087 1.00 0.00 H new ATOM 627 N HIS A 38 8.406 -11.503 -4.729 1.00 0.00 N ATOM 628 CA HIS A 38 9.526 -12.433 -4.669 1.00 0.00 C ATOM 629 C HIS A 38 9.240 -13.536 -3.657 1.00 0.00 C ATOM 630 O HIS A 38 9.634 -14.693 -3.850 1.00 0.00 O ATOM 631 CB HIS A 38 10.825 -11.709 -4.301 1.00 0.00 C ATOM 632 CG HIS A 38 12.044 -12.543 -4.555 1.00 0.00 C ATOM 633 ND1 HIS A 38 12.351 -13.667 -3.824 1.00 0.00 N ATOM 634 CD2 HIS A 38 13.005 -12.439 -5.497 1.00 0.00 C ATOM 635 CE1 HIS A 38 13.440 -14.215 -4.304 1.00 0.00 C ATOM 636 NE2 HIS A 38 13.861 -13.492 -5.318 1.00 0.00 N ATOM 0 H HIS A 38 8.606 -10.577 -4.350 1.00 0.00 H new ATOM 0 HA HIS A 38 9.650 -12.876 -5.657 1.00 0.00 H new ATOM 0 HB2 HIS A 38 10.896 -10.785 -4.875 1.00 0.00 H new ATOM 0 HB3 HIS A 38 10.794 -11.429 -3.248 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.084 -11.669 -6.251 1.00 0.00 H new ATOM 0 HE1 HIS A 38 13.913 -15.111 -3.929 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.690 -13.684 -5.880 1.00 0.00 H new ATOM 645 N GLN A 39 8.550 -13.182 -2.577 1.00 0.00 N ATOM 646 CA GLN A 39 8.199 -14.146 -1.552 1.00 0.00 C ATOM 647 C GLN A 39 7.203 -15.139 -2.107 1.00 0.00 C ATOM 648 O GLN A 39 7.307 -16.342 -1.876 1.00 0.00 O ATOM 649 CB GLN A 39 7.611 -13.445 -0.324 1.00 0.00 C ATOM 650 CG GLN A 39 8.550 -12.451 0.354 1.00 0.00 C ATOM 651 CD GLN A 39 9.816 -13.094 0.898 1.00 0.00 C ATOM 652 OE1 GLN A 39 10.333 -14.060 0.344 1.00 0.00 O ATOM 653 NE2 GLN A 39 10.309 -12.572 1.999 1.00 0.00 N ATOM 0 H GLN A 39 8.225 -12.233 -2.393 1.00 0.00 H new ATOM 0 HA GLN A 39 9.103 -14.672 -1.245 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.703 -12.921 -0.622 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.318 -14.202 0.404 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.823 -11.675 -0.361 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.020 -11.960 1.171 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.852 -11.769 2.432 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.148 -12.970 2.421 1.00 0.00 H new ATOM 662 N LEU A 40 6.216 -14.609 -2.826 1.00 0.00 N ATOM 663 CA LEU A 40 5.212 -15.412 -3.502 1.00 0.00 C ATOM 664 C LEU A 40 5.867 -16.492 -4.348 1.00 0.00 C ATOM 665 O LEU A 40 5.452 -17.658 -4.318 1.00 0.00 O ATOM 666 CB LEU A 40 4.333 -14.521 -4.382 1.00 0.00 C ATOM 667 CG LEU A 40 3.292 -15.245 -5.235 1.00 0.00 C ATOM 668 CD1 LEU A 40 2.274 -15.950 -4.355 1.00 0.00 C ATOM 669 CD2 LEU A 40 2.608 -14.267 -6.175 1.00 0.00 C ATOM 0 H LEU A 40 6.094 -13.604 -2.954 1.00 0.00 H new ATOM 0 HA LEU A 40 4.591 -15.894 -2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.816 -13.807 -3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.980 -13.945 -5.044 1.00 0.00 H new ATOM 0 HG LEU A 40 3.800 -16.000 -5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.542 -16.459 -4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.782 -16.680 -3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.767 -15.218 -3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.869 -14.797 -6.776 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.113 -13.489 -5.594 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.351 -13.812 -6.830 1.00 0.00 H new ATOM 681 N ASP A 41 6.894 -16.107 -5.101 1.00 0.00 N ATOM 682 CA ASP A 41 7.627 -17.049 -5.936 1.00 0.00 C ATOM 683 C ASP A 41 8.219 -18.167 -5.094 1.00 0.00 C ATOM 684 O ASP A 41 8.099 -19.344 -5.434 1.00 0.00 O ATOM 685 CB ASP A 41 8.739 -16.331 -6.701 1.00 0.00 C ATOM 686 CG ASP A 41 9.552 -17.270 -7.569 1.00 0.00 C ATOM 687 OD1 ASP A 41 9.166 -17.489 -8.732 1.00 0.00 O ATOM 688 OD2 ASP A 41 10.584 -17.780 -7.100 1.00 0.00 O ATOM 0 H ASP A 41 7.236 -15.147 -5.149 1.00 0.00 H new ATOM 0 HA ASP A 41 6.927 -17.483 -6.651 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.301 -15.553 -7.326 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.401 -15.834 -5.991 1.00 0.00 H new ATOM 693 N GLU A 42 8.849 -17.791 -3.984 1.00 0.00 N ATOM 694 CA GLU A 42 9.471 -18.755 -3.088 1.00 0.00 C ATOM 695 C GLU A 42 8.442 -19.700 -2.464 1.00 0.00 C ATOM 696 O GLU A 42 8.687 -20.908 -2.343 1.00 0.00 O ATOM 697 CB GLU A 42 10.261 -18.043 -1.992 1.00 0.00 C ATOM 698 CG GLU A 42 10.891 -18.986 -0.986 1.00 0.00 C ATOM 699 CD GLU A 42 11.737 -18.268 0.029 1.00 0.00 C ATOM 700 OE1 GLU A 42 12.926 -18.031 -0.253 1.00 0.00 O ATOM 701 OE2 GLU A 42 11.225 -17.942 1.119 1.00 0.00 O ATOM 0 H GLU A 42 8.941 -16.820 -3.685 1.00 0.00 H new ATOM 0 HA GLU A 42 10.156 -19.355 -3.687 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.044 -17.441 -2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.598 -17.355 -1.467 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.106 -19.540 -0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.504 -19.717 -1.513 1.00 0.00 H new ATOM 708 N LEU A 43 7.287 -19.165 -2.073 1.00 0.00 N ATOM 709 CA LEU A 43 6.244 -19.969 -1.452 1.00 0.00 C ATOM 710 C LEU A 43 5.721 -21.011 -2.426 1.00 0.00 C ATOM 711 O LEU A 43 5.321 -22.087 -2.026 1.00 0.00 O ATOM 712 CB LEU A 43 5.099 -19.071 -0.999 1.00 0.00 C ATOM 713 CG LEU A 43 3.918 -19.791 -0.358 1.00 0.00 C ATOM 714 CD1 LEU A 43 4.313 -20.403 0.970 1.00 0.00 C ATOM 715 CD2 LEU A 43 2.746 -18.848 -0.194 1.00 0.00 C ATOM 0 H LEU A 43 7.053 -18.178 -2.177 1.00 0.00 H new ATOM 0 HA LEU A 43 6.669 -20.480 -0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.490 -18.344 -0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.737 -18.510 -1.861 1.00 0.00 H new ATOM 0 HG LEU A 43 3.612 -20.601 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.453 -20.911 1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.118 -21.121 0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.653 -19.618 1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.913 -19.380 0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.038 -18.012 0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.442 -18.472 -1.171 1.00 0.00 H new ATOM 727 N ASN A 44 5.727 -20.672 -3.703 1.00 0.00 N ATOM 728 CA ASN A 44 5.276 -21.591 -4.745 1.00 0.00 C ATOM 729 C ASN A 44 6.102 -22.876 -4.738 1.00 0.00 C ATOM 730 O ASN A 44 5.606 -23.948 -5.072 1.00 0.00 O ATOM 731 CB ASN A 44 5.322 -20.914 -6.117 1.00 0.00 C ATOM 732 CG ASN A 44 3.996 -20.285 -6.502 1.00 0.00 C ATOM 733 OD1 ASN A 44 3.155 -20.926 -7.136 1.00 0.00 O ATOM 734 ND2 ASN A 44 3.793 -19.037 -6.121 1.00 0.00 N ATOM 0 H ASN A 44 6.040 -19.765 -4.049 1.00 0.00 H new ATOM 0 HA ASN A 44 4.241 -21.862 -4.535 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.096 -20.147 -6.114 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.604 -21.649 -6.871 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.916 -18.570 -6.350 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.514 -18.540 -5.598 1.00 0.00 H new ATOM 741 N GLU A 45 7.365 -22.753 -4.358 1.00 0.00 N ATOM 742 CA GLU A 45 8.255 -23.897 -4.254 1.00 0.00 C ATOM 743 C GLU A 45 8.098 -24.628 -2.902 1.00 0.00 C ATOM 744 O GLU A 45 7.970 -25.852 -2.860 1.00 0.00 O ATOM 745 CB GLU A 45 9.706 -23.427 -4.429 1.00 0.00 C ATOM 746 CG GLU A 45 10.747 -24.515 -4.237 1.00 0.00 C ATOM 747 CD GLU A 45 10.654 -25.606 -5.274 1.00 0.00 C ATOM 748 OE1 GLU A 45 11.273 -25.459 -6.345 1.00 0.00 O ATOM 749 OE2 GLU A 45 9.984 -26.623 -5.015 1.00 0.00 O ATOM 0 H GLU A 45 7.799 -21.862 -4.115 1.00 0.00 H new ATOM 0 HA GLU A 45 7.992 -24.604 -5.040 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.820 -23.005 -5.427 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.903 -22.624 -3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.741 -24.070 -4.273 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.630 -24.952 -3.245 1.00 0.00 H new ATOM 756 N ASN A 46 8.086 -23.874 -1.808 1.00 0.00 N ATOM 757 CA ASN A 46 8.038 -24.471 -0.461 1.00 0.00 C ATOM 758 C ASN A 46 6.626 -25.008 -0.148 1.00 0.00 C ATOM 759 O ASN A 46 6.467 -26.061 0.474 1.00 0.00 O ATOM 760 CB ASN A 46 8.452 -23.404 0.575 1.00 0.00 C ATOM 761 CG ASN A 46 8.750 -23.966 1.960 1.00 0.00 C ATOM 762 OD1 ASN A 46 8.189 -24.972 2.377 1.00 0.00 O ATOM 763 ND2 ASN A 46 9.637 -23.305 2.681 1.00 0.00 N ATOM 0 H ASN A 46 8.108 -22.854 -1.818 1.00 0.00 H new ATOM 0 HA ASN A 46 8.729 -25.313 -0.416 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.335 -22.881 0.209 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.655 -22.665 0.658 1.00 0.00 H new ATOM 0 HD21 ASN A 46 9.875 -23.629 3.619 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.084 -22.471 2.300 1.00 0.00 H new ATOM 770 N LYS A 47 5.624 -24.255 -0.608 1.00 0.00 N ATOM 771 CA LYS A 47 4.199 -24.581 -0.398 1.00 0.00 C ATOM 772 C LYS A 47 3.889 -24.640 1.114 1.00 0.00 C ATOM 773 O LYS A 47 2.919 -25.269 1.536 1.00 0.00 O ATOM 774 CB LYS A 47 3.888 -25.953 -1.014 1.00 0.00 C ATOM 775 CG LYS A 47 2.495 -26.078 -1.623 1.00 0.00 C ATOM 776 CD LYS A 47 2.343 -25.219 -2.876 1.00 0.00 C ATOM 777 CE LYS A 47 3.299 -25.649 -3.982 1.00 0.00 C ATOM 778 NZ LYS A 47 3.066 -27.046 -4.423 1.00 0.00 N ATOM 0 H LYS A 47 5.772 -23.397 -1.140 1.00 0.00 H new ATOM 0 HA LYS A 47 3.590 -23.810 -0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.627 -26.165 -1.786 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.003 -26.716 -0.244 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.300 -27.121 -1.872 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.749 -25.781 -0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.317 -25.284 -3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.526 -24.175 -2.624 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.188 -24.979 -4.835 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.326 -25.549 -3.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.620 -27.236 -5.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.360 -27.701 -3.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.055 -27.182 -4.625 1.00 0.00 H new ATOM 792 N SER A 48 4.723 -23.984 1.913 1.00 0.00 N ATOM 793 CA SER A 48 4.598 -24.010 3.363 1.00 0.00 C ATOM 794 C SER A 48 3.400 -23.223 3.847 1.00 0.00 C ATOM 795 O SER A 48 3.203 -22.066 3.470 1.00 0.00 O ATOM 796 CB SER A 48 5.876 -23.476 4.008 1.00 0.00 C ATOM 797 OG SER A 48 5.747 -23.376 5.418 1.00 0.00 O ATOM 0 H SER A 48 5.503 -23.421 1.573 1.00 0.00 H new ATOM 0 HA SER A 48 4.445 -25.048 3.660 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.710 -24.134 3.764 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.112 -22.496 3.593 1.00 0.00 H new ATOM 0 HG SER A 48 6.582 -23.033 5.799 1.00 0.00 H new ATOM 803 N LYS A 49 2.615 -23.860 4.683 1.00 0.00 N ATOM 804 CA LYS A 49 1.467 -23.243 5.322 1.00 0.00 C ATOM 805 C LYS A 49 1.895 -22.015 6.132 1.00 0.00 C ATOM 806 O LYS A 49 1.302 -20.948 6.014 1.00 0.00 O ATOM 807 CB LYS A 49 0.813 -24.271 6.243 1.00 0.00 C ATOM 808 CG LYS A 49 1.838 -25.079 7.005 1.00 0.00 C ATOM 809 CD LYS A 49 1.235 -26.033 7.973 1.00 0.00 C ATOM 810 CE LYS A 49 2.339 -26.858 8.598 1.00 0.00 C ATOM 811 NZ LYS A 49 1.854 -27.683 9.729 1.00 0.00 N ATOM 0 H LYS A 49 2.754 -24.836 4.945 1.00 0.00 H new ATOM 0 HA LYS A 49 0.759 -22.916 4.560 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.156 -23.761 6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.188 -24.941 5.653 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.454 -25.632 6.296 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.501 -24.399 7.541 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.686 -25.492 8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.519 -26.681 7.468 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.778 -27.507 7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.131 -26.196 8.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.645 -28.230 10.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.459 -27.064 10.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.117 -28.335 9.392 1.00 0.00 H new ATOM 825 N GLU A 50 2.948 -22.181 6.941 1.00 0.00 N ATOM 826 CA GLU A 50 3.449 -21.113 7.795 1.00 0.00 C ATOM 827 C GLU A 50 3.897 -19.931 6.974 1.00 0.00 C ATOM 828 O GLU A 50 3.503 -18.796 7.248 1.00 0.00 O ATOM 829 CB GLU A 50 4.615 -21.606 8.652 1.00 0.00 C ATOM 830 CG GLU A 50 4.289 -22.821 9.500 1.00 0.00 C ATOM 831 CD GLU A 50 5.491 -23.344 10.253 1.00 0.00 C ATOM 832 OE1 GLU A 50 5.738 -22.885 11.382 1.00 0.00 O ATOM 833 OE2 GLU A 50 6.198 -24.223 9.719 1.00 0.00 O ATOM 0 H GLU A 50 3.469 -23.055 7.018 1.00 0.00 H new ATOM 0 HA GLU A 50 2.632 -20.803 8.446 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.455 -21.846 8.000 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.940 -20.796 9.306 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.504 -22.563 10.211 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.894 -23.610 8.861 1.00 0.00 H new ATOM 840 N LEU A 51 4.710 -20.184 5.966 1.00 0.00 N ATOM 841 CA LEU A 51 5.195 -19.116 5.124 1.00 0.00 C ATOM 842 C LEU A 51 4.030 -18.418 4.436 1.00 0.00 C ATOM 843 O LEU A 51 4.001 -17.195 4.349 1.00 0.00 O ATOM 844 CB LEU A 51 6.180 -19.652 4.085 1.00 0.00 C ATOM 845 CG LEU A 51 6.822 -18.599 3.182 1.00 0.00 C ATOM 846 CD1 LEU A 51 7.651 -17.622 4.002 1.00 0.00 C ATOM 847 CD2 LEU A 51 7.669 -19.261 2.107 1.00 0.00 C ATOM 0 H LEU A 51 5.045 -21.114 5.714 1.00 0.00 H new ATOM 0 HA LEU A 51 5.717 -18.394 5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.972 -20.191 4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.661 -20.376 3.457 1.00 0.00 H new ATOM 0 HG LEU A 51 6.028 -18.038 2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.099 -16.881 3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.010 -17.121 4.727 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.438 -18.164 4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.118 -18.495 1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.456 -19.851 2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.041 -19.912 1.499 1.00 0.00 H new ATOM 859 N GLN A 52 3.060 -19.201 3.983 1.00 0.00 N ATOM 860 CA GLN A 52 1.883 -18.646 3.330 1.00 0.00 C ATOM 861 C GLN A 52 1.163 -17.683 4.254 1.00 0.00 C ATOM 862 O GLN A 52 0.839 -16.558 3.868 1.00 0.00 O ATOM 863 CB GLN A 52 0.917 -19.752 2.913 1.00 0.00 C ATOM 864 CG GLN A 52 -0.298 -19.240 2.149 1.00 0.00 C ATOM 865 CD GLN A 52 -1.375 -20.287 1.992 1.00 0.00 C ATOM 866 OE1 GLN A 52 -1.558 -21.138 2.854 1.00 0.00 O ATOM 867 NE2 GLN A 52 -2.083 -20.238 0.889 1.00 0.00 N ATOM 0 H GLN A 52 3.065 -20.218 4.055 1.00 0.00 H new ATOM 0 HA GLN A 52 2.222 -18.113 2.442 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.449 -20.474 2.293 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.580 -20.284 3.803 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.711 -18.376 2.669 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.016 -18.898 1.163 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.898 -19.512 0.196 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.818 -20.925 0.724 1.00 0.00 H new ATOM 876 N GLU A 53 0.937 -18.122 5.484 1.00 0.00 N ATOM 877 CA GLU A 53 0.225 -17.328 6.459 1.00 0.00 C ATOM 878 C GLU A 53 0.979 -16.052 6.815 1.00 0.00 C ATOM 879 O GLU A 53 0.381 -14.985 6.908 1.00 0.00 O ATOM 880 CB GLU A 53 -0.096 -18.155 7.701 1.00 0.00 C ATOM 881 CG GLU A 53 -1.045 -19.310 7.420 1.00 0.00 C ATOM 882 CD GLU A 53 -1.645 -19.893 8.674 1.00 0.00 C ATOM 883 OE1 GLU A 53 -2.701 -19.388 9.116 1.00 0.00 O ATOM 884 OE2 GLU A 53 -1.074 -20.849 9.230 1.00 0.00 O ATOM 0 H GLU A 53 1.242 -19.033 5.827 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.718 -17.020 6.007 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.831 -18.548 8.118 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.537 -17.506 8.458 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.846 -18.965 6.766 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.509 -20.092 6.882 1.00 0.00 H new ATOM 891 N LYS A 54 2.291 -16.154 6.994 1.00 0.00 N ATOM 892 CA LYS A 54 3.109 -14.982 7.306 1.00 0.00 C ATOM 893 C LYS A 54 3.093 -13.995 6.139 1.00 0.00 C ATOM 894 O LYS A 54 2.966 -12.780 6.340 1.00 0.00 O ATOM 895 CB LYS A 54 4.549 -15.405 7.619 1.00 0.00 C ATOM 896 CG LYS A 54 4.661 -16.382 8.783 1.00 0.00 C ATOM 897 CD LYS A 54 6.096 -16.865 9.023 1.00 0.00 C ATOM 898 CE LYS A 54 6.986 -15.795 9.659 1.00 0.00 C ATOM 899 NZ LYS A 54 7.441 -14.772 8.687 1.00 0.00 N ATOM 0 H LYS A 54 2.811 -17.029 6.930 1.00 0.00 H new ATOM 0 HA LYS A 54 2.689 -14.492 8.184 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.986 -15.861 6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.139 -14.516 7.844 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.288 -15.904 9.689 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.021 -17.243 8.590 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.075 -17.743 9.668 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.533 -17.177 8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.438 -15.306 10.465 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.856 -16.273 10.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.460 -14.603 8.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.262 -15.109 7.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.921 -13.886 8.847 1.00 0.00 H new ATOM 913 N ILE A 55 3.213 -14.524 4.929 1.00 0.00 N ATOM 914 CA ILE A 55 3.198 -13.700 3.726 1.00 0.00 C ATOM 915 C ILE A 55 1.861 -12.975 3.560 1.00 0.00 C ATOM 916 O ILE A 55 1.828 -11.753 3.440 1.00 0.00 O ATOM 917 CB ILE A 55 3.508 -14.530 2.448 1.00 0.00 C ATOM 918 CG1 ILE A 55 4.962 -15.017 2.470 1.00 0.00 C ATOM 919 CG2 ILE A 55 3.240 -13.710 1.187 1.00 0.00 C ATOM 920 CD1 ILE A 55 5.330 -15.889 1.288 1.00 0.00 C ATOM 0 H ILE A 55 3.322 -15.523 4.753 1.00 0.00 H new ATOM 0 HA ILE A 55 3.987 -12.958 3.851 1.00 0.00 H new ATOM 0 HB ILE A 55 2.848 -15.397 2.436 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.625 -14.152 2.493 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.135 -15.575 3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.464 -14.312 0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.192 -13.410 1.164 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.872 -12.822 1.189 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.373 -16.195 1.372 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.692 -16.773 1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.190 -15.328 0.364 1.00 0.00 H new ATOM 932 N ILE A 56 0.761 -13.724 3.585 1.00 0.00 N ATOM 933 CA ILE A 56 -0.559 -13.131 3.387 1.00 0.00 C ATOM 934 C ILE A 56 -0.934 -12.178 4.534 1.00 0.00 C ATOM 935 O ILE A 56 -1.606 -11.174 4.313 1.00 0.00 O ATOM 936 CB ILE A 56 -1.670 -14.209 3.183 1.00 0.00 C ATOM 937 CG1 ILE A 56 -2.991 -13.549 2.765 1.00 0.00 C ATOM 938 CG2 ILE A 56 -1.864 -15.043 4.441 1.00 0.00 C ATOM 939 CD1 ILE A 56 -4.097 -14.537 2.445 1.00 0.00 C ATOM 0 H ILE A 56 0.756 -14.732 3.739 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.496 -12.548 2.468 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.347 -14.877 2.384 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.326 -12.890 3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.812 -12.923 1.891 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.644 -15.785 4.269 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.931 -15.548 4.690 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.157 -14.394 5.266 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.998 -13.994 2.158 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.784 -15.180 1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.305 -15.147 3.324 1.00 0.00 H new ATOM 951 N ARG A 57 -0.478 -12.477 5.750 1.00 0.00 N ATOM 952 CA ARG A 57 -0.760 -11.608 6.889 1.00 0.00 C ATOM 953 C ARG A 57 -0.031 -10.286 6.756 1.00 0.00 C ATOM 954 O ARG A 57 -0.637 -9.226 6.916 1.00 0.00 O ATOM 955 CB ARG A 57 -0.415 -12.282 8.223 1.00 0.00 C ATOM 956 CG ARG A 57 -1.622 -12.858 8.953 1.00 0.00 C ATOM 957 CD ARG A 57 -2.264 -13.985 8.168 1.00 0.00 C ATOM 958 NE ARG A 57 -3.540 -14.403 8.747 1.00 0.00 N ATOM 959 CZ ARG A 57 -3.857 -15.661 9.058 1.00 0.00 C ATOM 960 NH1 ARG A 57 -2.942 -16.623 8.962 1.00 0.00 N ATOM 961 NH2 ARG A 57 -5.077 -15.949 9.496 1.00 0.00 N ATOM 0 H ARG A 57 0.080 -13.302 5.969 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.833 -11.414 6.887 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.303 -13.082 8.040 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.076 -11.555 8.870 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.315 -13.225 9.932 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.355 -12.069 9.124 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.422 -13.665 7.138 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.585 -14.837 8.136 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.238 -13.681 8.926 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.997 -16.399 8.650 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.186 -17.584 9.200 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.771 -15.208 9.595 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.320 -16.911 9.734 1.00 0.00 H new ATOM 975 N GLU A 58 1.260 -10.336 6.439 1.00 0.00 N ATOM 976 CA GLU A 58 2.026 -9.120 6.263 1.00 0.00 C ATOM 977 C GLU A 58 1.519 -8.347 5.055 1.00 0.00 C ATOM 978 O GLU A 58 1.463 -7.118 5.067 1.00 0.00 O ATOM 979 CB GLU A 58 3.522 -9.419 6.123 1.00 0.00 C ATOM 980 CG GLU A 58 4.349 -8.205 5.748 1.00 0.00 C ATOM 981 CD GLU A 58 5.837 -8.454 5.820 1.00 0.00 C ATOM 982 OE1 GLU A 58 6.337 -9.324 5.086 1.00 0.00 O ATOM 983 OE2 GLU A 58 6.518 -7.764 6.616 1.00 0.00 O ATOM 0 H GLU A 58 1.787 -11.198 6.301 1.00 0.00 H new ATOM 0 HA GLU A 58 1.893 -8.506 7.154 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.893 -9.825 7.064 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.661 -10.191 5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.088 -7.894 4.737 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.093 -7.379 6.412 1.00 0.00 H new ATOM 990 N LEU A 59 1.119 -9.069 4.027 1.00 0.00 N ATOM 991 CA LEU A 59 0.609 -8.466 2.815 1.00 0.00 C ATOM 992 C LEU A 59 -0.651 -7.658 3.114 1.00 0.00 C ATOM 993 O LEU A 59 -0.761 -6.490 2.735 1.00 0.00 O ATOM 994 CB LEU A 59 0.301 -9.559 1.791 1.00 0.00 C ATOM 995 CG LEU A 59 -0.105 -9.085 0.400 1.00 0.00 C ATOM 996 CD1 LEU A 59 1.049 -8.367 -0.276 1.00 0.00 C ATOM 997 CD2 LEU A 59 -0.563 -10.258 -0.440 1.00 0.00 C ATOM 0 H LEU A 59 1.139 -10.089 4.010 1.00 0.00 H new ATOM 0 HA LEU A 59 1.363 -7.792 2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.181 -10.194 1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.500 -10.183 2.187 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.933 -8.384 0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.741 -8.036 -1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.340 -7.503 0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.897 -9.046 -0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.850 -9.906 -1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.250 -10.979 -0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.419 -10.735 0.037 1.00 0.00 H new ATOM 1009 N ASP A 60 -1.585 -8.285 3.821 1.00 0.00 N ATOM 1010 CA ASP A 60 -2.865 -7.661 4.150 1.00 0.00 C ATOM 1011 C ASP A 60 -2.694 -6.442 5.053 1.00 0.00 C ATOM 1012 O ASP A 60 -3.286 -5.392 4.797 1.00 0.00 O ATOM 1013 CB ASP A 60 -3.805 -8.670 4.815 1.00 0.00 C ATOM 1014 CG ASP A 60 -5.189 -8.094 5.066 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -5.973 -7.964 4.103 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -5.505 -7.778 6.234 1.00 0.00 O ATOM 0 H ASP A 60 -1.479 -9.234 4.181 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.303 -7.324 3.211 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.891 -9.554 4.183 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.373 -8.996 5.761 1.00 0.00 H new ATOM 1021 N VAL A 61 -1.872 -6.565 6.098 1.00 0.00 N ATOM 1022 CA VAL A 61 -1.683 -5.455 7.034 1.00 0.00 C ATOM 1023 C VAL A 61 -1.056 -4.237 6.347 1.00 0.00 C ATOM 1024 O VAL A 61 -1.434 -3.095 6.626 1.00 0.00 O ATOM 1025 CB VAL A 61 -0.856 -5.850 8.293 1.00 0.00 C ATOM 1026 CG1 VAL A 61 -1.549 -6.957 9.066 1.00 0.00 C ATOM 1027 CG2 VAL A 61 0.560 -6.263 7.926 1.00 0.00 C ATOM 0 H VAL A 61 -1.336 -7.405 6.315 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.682 -5.188 7.378 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.790 -4.968 8.931 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.954 -7.217 9.941 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.534 -6.616 9.385 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.658 -7.834 8.427 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.107 -6.532 8.830 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.526 -7.121 7.254 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.064 -5.433 7.430 1.00 0.00 H new ATOM 1037 N VAL A 62 -0.119 -4.489 5.432 1.00 0.00 N ATOM 1038 CA VAL A 62 0.524 -3.416 4.684 1.00 0.00 C ATOM 1039 C VAL A 62 -0.444 -2.848 3.655 1.00 0.00 C ATOM 1040 O VAL A 62 -0.499 -1.635 3.449 1.00 0.00 O ATOM 1041 CB VAL A 62 1.825 -3.899 3.982 1.00 0.00 C ATOM 1042 CG1 VAL A 62 2.420 -2.793 3.120 1.00 0.00 C ATOM 1043 CG2 VAL A 62 2.845 -4.363 5.012 1.00 0.00 C ATOM 0 H VAL A 62 0.209 -5.425 5.194 1.00 0.00 H new ATOM 0 HA VAL A 62 0.802 -2.637 5.394 1.00 0.00 H new ATOM 0 HB VAL A 62 1.568 -4.739 3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.329 -3.155 2.640 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.699 -2.499 2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.658 -1.933 3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.749 -4.698 4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.089 -3.537 5.680 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.428 -5.187 5.591 1.00 0.00 H new ATOM 1053 N CYS A 63 -1.239 -3.716 3.046 1.00 0.00 N ATOM 1054 CA CYS A 63 -2.216 -3.280 2.061 1.00 0.00 C ATOM 1055 C CYS A 63 -3.235 -2.362 2.720 1.00 0.00 C ATOM 1056 O CYS A 63 -3.664 -1.367 2.141 1.00 0.00 O ATOM 1057 CB CYS A 63 -2.924 -4.476 1.414 1.00 0.00 C ATOM 1058 SG CYS A 63 -4.076 -4.031 0.088 1.00 0.00 S ATOM 0 H CYS A 63 -1.227 -4.722 3.216 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.691 -2.736 1.275 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.172 -5.156 1.013 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.468 -5.022 2.185 1.00 0.00 H new ATOM 0 HG CYS A 63 -4.620 -5.109 -0.394 1.00 0.00 H new ATOM 1064 N ALA A 64 -3.595 -2.702 3.950 1.00 0.00 N ATOM 1065 CA ALA A 64 -4.565 -1.949 4.718 1.00 0.00 C ATOM 1066 C ALA A 64 -4.013 -0.596 5.138 1.00 0.00 C ATOM 1067 O ALA A 64 -4.664 0.430 4.937 1.00 0.00 O ATOM 1068 CB ALA A 64 -4.969 -2.742 5.943 1.00 0.00 C ATOM 0 H ALA A 64 -3.218 -3.512 4.441 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.436 -1.774 4.087 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.699 -2.174 6.520 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.409 -3.690 5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.090 -2.934 6.558 1.00 0.00 H new ATOM 1074 N MET A 65 -2.811 -0.585 5.714 1.00 0.00 N ATOM 1075 CA MET A 65 -2.216 0.672 6.176 1.00 0.00 C ATOM 1076 C MET A 65 -1.993 1.621 5.001 1.00 0.00 C ATOM 1077 O MET A 65 -2.210 2.828 5.112 1.00 0.00 O ATOM 1078 CB MET A 65 -0.903 0.428 6.940 1.00 0.00 C ATOM 1079 CG MET A 65 0.267 0.024 6.060 1.00 0.00 C ATOM 1080 SD MET A 65 1.795 -0.228 6.982 1.00 0.00 S ATOM 1081 CE MET A 65 1.368 -1.665 7.948 1.00 0.00 C ATOM 0 H MET A 65 -2.238 -1.414 5.871 1.00 0.00 H new ATOM 0 HA MET A 65 -2.916 1.138 6.870 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.638 1.336 7.482 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.069 -0.351 7.684 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.014 -0.894 5.530 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.428 0.794 5.305 1.00 0.00 H new ATOM 0 HE1 MET A 65 1.304 -1.390 9.001 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.406 -2.054 7.616 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.133 -2.431 7.819 1.00 0.00 H new ATOM 1091 N ILE A 66 -1.576 1.062 3.869 1.00 0.00 N ATOM 1092 CA ILE A 66 -1.366 1.840 2.664 1.00 0.00 C ATOM 1093 C ILE A 66 -2.693 2.386 2.141 1.00 0.00 C ATOM 1094 O ILE A 66 -2.783 3.548 1.754 1.00 0.00 O ATOM 1095 CB ILE A 66 -0.628 1.005 1.560 1.00 0.00 C ATOM 1096 CG1 ILE A 66 0.878 1.312 1.561 1.00 0.00 C ATOM 1097 CG2 ILE A 66 -1.214 1.241 0.171 1.00 0.00 C ATOM 1098 CD1 ILE A 66 1.581 1.003 2.868 1.00 0.00 C ATOM 0 H ILE A 66 -1.377 0.067 3.766 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.723 2.682 2.919 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.777 -0.047 1.804 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.353 0.741 0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.021 2.367 1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.671 0.642 -0.560 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.265 0.954 0.166 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.125 2.296 -0.087 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.639 1.250 2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.137 1.594 3.669 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.474 -0.057 3.097 1.00 0.00 H new ATOM 1110 N GLU A 67 -3.729 1.553 2.178 1.00 0.00 N ATOM 1111 CA GLU A 67 -5.046 1.941 1.694 1.00 0.00 C ATOM 1112 C GLU A 67 -5.638 3.028 2.582 1.00 0.00 C ATOM 1113 O GLU A 67 -6.251 3.980 2.099 1.00 0.00 O ATOM 1114 CB GLU A 67 -5.982 0.732 1.655 1.00 0.00 C ATOM 1115 CG GLU A 67 -6.806 0.628 0.375 1.00 0.00 C ATOM 1116 CD GLU A 67 -7.643 1.865 0.108 1.00 0.00 C ATOM 1117 OE1 GLU A 67 -8.770 1.963 0.652 1.00 0.00 O ATOM 1118 OE2 GLU A 67 -7.178 2.749 -0.644 1.00 0.00 O ATOM 0 H GLU A 67 -3.679 0.601 2.540 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.937 2.331 0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.391 -0.177 1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.659 0.781 2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.137 0.459 -0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.461 -0.240 0.441 1.00 0.00 H new ATOM 1125 N GLY A 68 -5.426 2.892 3.884 1.00 0.00 N ATOM 1126 CA GLY A 68 -5.964 3.843 4.825 1.00 0.00 C ATOM 1127 C GLY A 68 -5.371 5.216 4.644 1.00 0.00 C ATOM 1128 O GLY A 68 -6.086 6.219 4.611 1.00 0.00 O ATOM 0 H GLY A 68 -4.887 2.134 4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.046 3.897 4.706 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.772 3.496 5.840 1.00 0.00 H new ATOM 1132 N ALA A 69 -4.057 5.252 4.495 1.00 0.00 N ATOM 1133 CA ALA A 69 -3.342 6.497 4.302 1.00 0.00 C ATOM 1134 C ALA A 69 -3.654 7.074 2.929 1.00 0.00 C ATOM 1135 O ALA A 69 -3.868 8.275 2.794 1.00 0.00 O ATOM 1136 CB ALA A 69 -1.844 6.274 4.458 1.00 0.00 C ATOM 0 H ALA A 69 -3.462 4.424 4.505 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.666 7.210 5.060 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.318 7.217 4.311 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.635 5.895 5.458 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.505 5.550 3.717 1.00 0.00 H new ATOM 1142 N GLN A 70 -3.708 6.208 1.920 1.00 0.00 N ATOM 1143 CA GLN A 70 -3.975 6.639 0.554 1.00 0.00 C ATOM 1144 C GLN A 70 -5.355 7.287 0.464 1.00 0.00 C ATOM 1145 O GLN A 70 -5.514 8.354 -0.101 1.00 0.00 O ATOM 1146 CB GLN A 70 -3.856 5.462 -0.435 1.00 0.00 C ATOM 1147 CG GLN A 70 -3.712 5.871 -1.895 1.00 0.00 C ATOM 1148 CD GLN A 70 -5.038 5.977 -2.643 1.00 0.00 C ATOM 1149 OE1 GLN A 70 -5.968 5.088 -2.349 1.00 0.00 O flip ATOM 1150 NE2 GLN A 70 -5.197 6.820 -3.521 1.00 0.00 N flip ATOM 0 H GLN A 70 -3.570 5.203 2.025 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.225 7.380 0.277 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.995 4.855 -0.155 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.738 4.829 -0.334 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.201 6.833 -1.944 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -3.076 5.146 -2.404 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -4.457 7.492 -3.722 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.069 6.848 -4.049 1.00 0.00 H new ATOM 1159 N GLY A 71 -6.323 6.638 1.083 1.00 0.00 N ATOM 1160 CA GLY A 71 -7.697 7.119 1.050 1.00 0.00 C ATOM 1161 C GLY A 71 -7.886 8.410 1.837 1.00 0.00 C ATOM 1162 O GLY A 71 -8.508 9.373 1.357 1.00 0.00 O ATOM 0 H GLY A 71 -6.187 5.778 1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.996 7.282 0.015 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.356 6.351 1.455 1.00 0.00 H new ATOM 1166 N ALA A 72 -7.322 8.431 3.037 1.00 0.00 N ATOM 1167 CA ALA A 72 -7.449 9.568 3.938 1.00 0.00 C ATOM 1168 C ALA A 72 -6.757 10.793 3.367 1.00 0.00 C ATOM 1169 O ALA A 72 -7.362 11.871 3.244 1.00 0.00 O ATOM 1170 CB ALA A 72 -6.883 9.231 5.308 1.00 0.00 C ATOM 0 H ALA A 72 -6.765 7.663 3.412 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.510 9.795 4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.987 10.093 5.967 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.427 8.385 5.728 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.828 8.973 5.212 1.00 0.00 H new ATOM 1176 N LEU A 73 -5.486 10.623 3.019 1.00 0.00 N ATOM 1177 CA LEU A 73 -4.683 11.699 2.473 1.00 0.00 C ATOM 1178 C LEU A 73 -5.277 12.233 1.183 1.00 0.00 C ATOM 1179 O LEU A 73 -5.349 13.431 1.002 1.00 0.00 O ATOM 1180 CB LEU A 73 -3.249 11.228 2.226 1.00 0.00 C ATOM 1181 CG LEU A 73 -2.279 12.296 1.720 1.00 0.00 C ATOM 1182 CD1 LEU A 73 -1.928 13.281 2.824 1.00 0.00 C ATOM 1183 CD2 LEU A 73 -1.032 11.657 1.136 1.00 0.00 C ATOM 0 H LEU A 73 -4.989 9.737 3.109 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.674 12.505 3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.856 10.817 3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.273 10.413 1.503 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.773 12.854 0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.237 14.030 2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.835 13.772 3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.460 12.748 3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.356 12.435 0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.533 11.064 1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.310 11.012 0.303 1.00 0.00 H new ATOM 1195 N GLU A 74 -5.713 11.330 0.304 1.00 0.00 N ATOM 1196 CA GLU A 74 -6.274 11.712 -0.997 1.00 0.00 C ATOM 1197 C GLU A 74 -7.424 12.708 -0.821 1.00 0.00 C ATOM 1198 O GLU A 74 -7.420 13.816 -1.381 1.00 0.00 O ATOM 1199 CB GLU A 74 -6.774 10.464 -1.720 1.00 0.00 C ATOM 1200 CG GLU A 74 -6.454 10.430 -3.199 1.00 0.00 C ATOM 1201 CD GLU A 74 -7.025 11.613 -3.949 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -8.271 11.713 -4.064 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -6.241 12.444 -4.445 1.00 0.00 O ATOM 0 H GLU A 74 -5.689 10.324 0.469 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.494 12.191 -1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.338 9.585 -1.246 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.854 10.393 -1.592 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.372 10.409 -3.332 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.846 9.509 -3.630 1.00 0.00 H new ATOM 1210 N ARG A 75 -8.384 12.312 0.000 1.00 0.00 N ATOM 1211 CA ARG A 75 -9.569 13.112 0.265 1.00 0.00 C ATOM 1212 C ARG A 75 -9.175 14.493 0.788 1.00 0.00 C ATOM 1213 O ARG A 75 -9.738 15.515 0.370 1.00 0.00 O ATOM 1214 CB ARG A 75 -10.423 12.398 1.304 1.00 0.00 C ATOM 1215 CG ARG A 75 -11.875 12.817 1.319 1.00 0.00 C ATOM 1216 CD ARG A 75 -12.611 12.196 2.497 1.00 0.00 C ATOM 1217 NE ARG A 75 -12.236 10.790 2.701 1.00 0.00 N ATOM 1218 CZ ARG A 75 -12.877 9.748 2.168 1.00 0.00 C ATOM 1219 NH1 ARG A 75 -13.921 9.938 1.370 1.00 0.00 N ATOM 1220 NH2 ARG A 75 -12.470 8.511 2.437 1.00 0.00 N ATOM 0 H ARG A 75 -8.363 11.425 0.502 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.131 13.239 -0.660 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.370 11.324 1.123 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.996 12.577 2.291 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.943 13.903 1.375 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.354 12.516 0.387 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.393 12.764 3.401 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.686 12.264 2.329 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.428 10.597 3.292 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.238 10.885 1.161 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.406 9.137 0.966 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.669 8.360 3.050 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.959 7.713 2.030 1.00 0.00 H new ATOM 1234 N GLU A 76 -8.209 14.513 1.682 1.00 0.00 N ATOM 1235 CA GLU A 76 -7.752 15.748 2.296 1.00 0.00 C ATOM 1236 C GLU A 76 -6.930 16.600 1.326 1.00 0.00 C ATOM 1237 O GLU A 76 -7.253 17.776 1.117 1.00 0.00 O ATOM 1238 CB GLU A 76 -6.937 15.437 3.542 1.00 0.00 C ATOM 1239 CG GLU A 76 -6.495 16.661 4.306 1.00 0.00 C ATOM 1240 CD GLU A 76 -5.765 16.311 5.574 1.00 0.00 C ATOM 1241 OE1 GLU A 76 -6.394 15.728 6.483 1.00 0.00 O ATOM 1242 OE2 GLU A 76 -4.564 16.609 5.673 1.00 0.00 O ATOM 0 H GLU A 76 -7.718 13.679 2.004 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.634 16.327 2.572 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.529 14.803 4.202 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.056 14.863 3.254 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.848 17.268 3.673 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.366 17.270 4.547 1.00 0.00 H new ATOM 1249 N LEU A 77 -5.872 16.021 0.740 1.00 0.00 N ATOM 1250 CA LEU A 77 -4.997 16.757 -0.195 1.00 0.00 C ATOM 1251 C LEU A 77 -5.776 17.414 -1.317 1.00 0.00 C ATOM 1252 O LEU A 77 -5.322 18.382 -1.906 1.00 0.00 O ATOM 1253 CB LEU A 77 -3.848 15.852 -0.752 1.00 0.00 C ATOM 1254 CG LEU A 77 -4.229 14.580 -1.548 1.00 0.00 C ATOM 1255 CD1 LEU A 77 -4.830 14.920 -2.902 1.00 0.00 C ATOM 1256 CD2 LEU A 77 -3.006 13.696 -1.739 1.00 0.00 C ATOM 0 H LEU A 77 -5.599 15.050 0.893 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.534 17.558 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.222 16.470 -1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.231 15.543 0.092 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.983 14.046 -0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.084 14.000 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.731 15.517 -2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.107 15.487 -3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.286 12.804 -2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.242 14.246 -2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.613 13.404 -0.765 1.00 0.00 H new ATOM 1268 N LYS A 78 -6.969 16.909 -1.572 1.00 0.00 N ATOM 1269 CA LYS A 78 -7.801 17.452 -2.611 1.00 0.00 C ATOM 1270 C LYS A 78 -8.212 18.897 -2.293 1.00 0.00 C ATOM 1271 O LYS A 78 -8.176 19.768 -3.151 1.00 0.00 O ATOM 1272 CB LYS A 78 -9.028 16.574 -2.814 1.00 0.00 C ATOM 1273 CG LYS A 78 -8.830 15.458 -3.828 1.00 0.00 C ATOM 1274 CD LYS A 78 -8.315 16.001 -5.150 1.00 0.00 C ATOM 1275 CE LYS A 78 -8.490 15.007 -6.289 1.00 0.00 C ATOM 1276 NZ LYS A 78 -7.966 13.658 -5.958 1.00 0.00 N ATOM 0 H LYS A 78 -7.378 16.122 -1.068 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.226 17.468 -3.537 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.310 16.135 -1.857 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.860 17.200 -3.136 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.126 14.726 -3.434 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.774 14.938 -3.989 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.842 16.924 -5.392 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.259 16.254 -5.050 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.548 14.930 -6.539 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.979 15.383 -7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.858 13.104 -6.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.042 13.750 -5.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.630 13.174 -5.321 1.00 0.00 H new ATOM 1290 N ARG A 79 -8.621 19.122 -1.044 1.00 0.00 N ATOM 1291 CA ARG A 79 -9.088 20.440 -0.598 1.00 0.00 C ATOM 1292 C ARG A 79 -7.978 21.263 0.057 1.00 0.00 C ATOM 1293 O ARG A 79 -8.142 22.461 0.291 1.00 0.00 O ATOM 1294 CB ARG A 79 -10.277 20.308 0.371 1.00 0.00 C ATOM 1295 CG ARG A 79 -11.564 19.814 -0.278 1.00 0.00 C ATOM 1296 CD ARG A 79 -11.497 18.337 -0.614 1.00 0.00 C ATOM 1297 NE ARG A 79 -12.576 17.936 -1.506 1.00 0.00 N ATOM 1298 CZ ARG A 79 -12.844 16.681 -1.846 1.00 0.00 C ATOM 1299 NH1 ARG A 79 -12.127 15.680 -1.341 1.00 0.00 N ATOM 1300 NH2 ARG A 79 -13.832 16.425 -2.693 1.00 0.00 N ATOM 0 H ARG A 79 -8.639 18.406 -0.318 1.00 0.00 H new ATOM 0 HA ARG A 79 -9.411 20.970 -1.494 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.002 19.623 1.173 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.465 21.278 0.831 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.403 19.996 0.394 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.755 20.385 -1.187 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.538 18.114 -1.081 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.549 17.753 0.305 1.00 0.00 H new ATOM 0 HE ARG A 79 -13.167 18.670 -1.897 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.367 15.875 -0.689 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.337 14.718 -1.606 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -14.383 17.191 -3.081 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -14.041 15.462 -2.957 1.00 0.00 H new ATOM 1314 N THR A 80 -6.864 20.618 0.361 1.00 0.00 N ATOM 1315 CA THR A 80 -5.759 21.270 1.067 1.00 0.00 C ATOM 1316 C THR A 80 -5.108 22.400 0.238 1.00 0.00 C ATOM 1317 O THR A 80 -4.501 23.323 0.795 1.00 0.00 O ATOM 1318 CB THR A 80 -4.698 20.233 1.495 1.00 0.00 C ATOM 1319 OG1 THR A 80 -5.325 19.220 2.295 1.00 0.00 O ATOM 1320 CG2 THR A 80 -3.576 20.877 2.300 1.00 0.00 C ATOM 0 H THR A 80 -6.695 19.639 0.131 1.00 0.00 H new ATOM 0 HA THR A 80 -6.184 21.733 1.958 1.00 0.00 H new ATOM 0 HB THR A 80 -4.266 19.800 0.593 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.102 18.860 1.818 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.849 20.116 2.583 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.086 21.640 1.695 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.990 21.336 3.198 1.00 0.00 H new ATOM 1328 N ASP A 81 -5.264 22.342 -1.074 1.00 0.00 N ATOM 1329 CA ASP A 81 -4.710 23.362 -1.956 1.00 0.00 C ATOM 1330 C ASP A 81 -5.605 23.467 -3.183 1.00 0.00 C ATOM 1331 O ASP A 81 -6.659 22.830 -3.228 1.00 0.00 O ATOM 1332 CB ASP A 81 -3.261 23.018 -2.367 1.00 0.00 C ATOM 1333 CG ASP A 81 -2.417 24.261 -2.658 1.00 0.00 C ATOM 1334 OD1 ASP A 81 -2.681 24.955 -3.667 1.00 0.00 O ATOM 1335 OD2 ASP A 81 -1.502 24.569 -1.855 1.00 0.00 O ATOM 0 H ASP A 81 -5.770 21.599 -1.555 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.676 24.318 -1.433 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.789 22.442 -1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.280 22.382 -3.252 1.00 0.00 H new ATOM 1340 N LEU A 82 -5.210 24.254 -4.159 1.00 0.00 N ATOM 1341 CA LEU A 82 -5.997 24.421 -5.363 1.00 0.00 C ATOM 1342 C LEU A 82 -5.084 24.890 -6.487 1.00 0.00 C ATOM 1343 O LEU A 82 -4.271 25.794 -6.292 1.00 0.00 O ATOM 1344 CB LEU A 82 -7.136 25.441 -5.110 1.00 0.00 C ATOM 1345 CG LEU A 82 -8.332 25.431 -6.094 1.00 0.00 C ATOM 1346 CD1 LEU A 82 -7.959 26.026 -7.443 1.00 0.00 C ATOM 1347 CD2 LEU A 82 -8.881 24.020 -6.263 1.00 0.00 C ATOM 0 H LEU A 82 -4.343 24.792 -4.143 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.452 23.473 -5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.524 25.270 -4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.701 26.441 -5.118 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.112 26.059 -5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.825 26.000 -8.104 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.636 27.058 -7.309 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.148 25.447 -7.885 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.720 24.037 -6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.099 23.370 -6.654 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.217 23.642 -5.297 1.00 0.00 H new ATOM 1359 N ASN A 83 -5.270 24.307 -7.670 1.00 0.00 N ATOM 1360 CA ASN A 83 -4.417 24.577 -8.833 1.00 0.00 C ATOM 1361 C ASN A 83 -4.708 23.562 -9.932 1.00 0.00 C ATOM 1362 O ASN A 83 -4.953 22.389 -9.647 1.00 0.00 O ATOM 1363 CB ASN A 83 -2.929 24.499 -8.458 1.00 0.00 C ATOM 1364 CG ASN A 83 -2.036 25.070 -9.534 1.00 0.00 C ATOM 1365 OD1 ASN A 83 -1.618 24.367 -10.443 1.00 0.00 O ATOM 1366 ND2 ASN A 83 -1.742 26.349 -9.438 1.00 0.00 N ATOM 0 H ASN A 83 -6.015 23.634 -7.852 1.00 0.00 H new ATOM 0 HA ASN A 83 -4.636 25.585 -9.186 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.763 25.040 -7.526 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.656 23.459 -8.276 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -1.145 26.789 -10.138 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.111 26.900 -8.664 1.00 0.00 H new ATOM 1373 N ILE A 84 -4.702 24.018 -11.178 1.00 0.00 N ATOM 1374 CA ILE A 84 -4.933 23.141 -12.330 1.00 0.00 C ATOM 1375 C ILE A 84 -3.904 22.000 -12.365 1.00 0.00 C ATOM 1376 O ILE A 84 -4.251 20.833 -12.607 1.00 0.00 O ATOM 1377 CB ILE A 84 -4.858 23.939 -13.658 1.00 0.00 C ATOM 1378 CG1 ILE A 84 -5.909 25.059 -13.669 1.00 0.00 C ATOM 1379 CG2 ILE A 84 -5.048 23.015 -14.856 1.00 0.00 C ATOM 1380 CD1 ILE A 84 -5.828 25.964 -14.883 1.00 0.00 C ATOM 0 H ILE A 84 -4.539 24.995 -11.422 1.00 0.00 H new ATOM 0 HA ILE A 84 -5.932 22.718 -12.224 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.869 24.391 -13.731 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.902 24.612 -13.626 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.792 25.663 -12.769 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.992 23.596 -15.776 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.266 22.256 -14.858 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.023 22.531 -14.791 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.602 26.729 -14.819 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.848 26.440 -14.917 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.976 25.374 -15.787 1.00 0.00 H new ATOM 1392 N LEU A 85 -2.656 22.341 -12.076 1.00 0.00 N ATOM 1393 CA LEU A 85 -1.571 21.372 -12.085 1.00 0.00 C ATOM 1394 C LEU A 85 -1.772 20.360 -10.970 1.00 0.00 C ATOM 1395 O LEU A 85 -1.678 19.158 -11.190 1.00 0.00 O ATOM 1396 CB LEU A 85 -0.217 22.075 -11.937 1.00 0.00 C ATOM 1397 CG LEU A 85 1.018 21.171 -11.980 1.00 0.00 C ATOM 1398 CD1 LEU A 85 1.099 20.433 -13.307 1.00 0.00 C ATOM 1399 CD2 LEU A 85 2.280 21.989 -11.741 1.00 0.00 C ATOM 0 H LEU A 85 -2.369 23.289 -11.831 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.577 20.848 -13.041 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.127 22.817 -12.730 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.213 22.617 -10.991 1.00 0.00 H new ATOM 0 HG LEU A 85 0.931 20.429 -11.186 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.984 19.797 -13.316 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.208 19.818 -13.436 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.163 21.155 -14.121 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.150 21.333 -11.774 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.371 22.752 -12.514 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.224 22.468 -10.763 1.00 0.00 H new ATOM 1411 N GLU A 86 -2.083 20.859 -9.775 1.00 0.00 N ATOM 1412 CA GLU A 86 -2.342 19.998 -8.625 1.00 0.00 C ATOM 1413 C GLU A 86 -3.505 19.073 -8.886 1.00 0.00 C ATOM 1414 O GLU A 86 -3.454 17.907 -8.523 1.00 0.00 O ATOM 1415 CB GLU A 86 -2.595 20.822 -7.364 1.00 0.00 C ATOM 1416 CG GLU A 86 -1.334 21.416 -6.767 1.00 0.00 C ATOM 1417 CD GLU A 86 -0.344 20.350 -6.338 1.00 0.00 C ATOM 1418 OE1 GLU A 86 0.436 19.872 -7.199 1.00 0.00 O ATOM 1419 OE2 GLU A 86 -0.328 19.995 -5.149 1.00 0.00 O ATOM 0 H GLU A 86 -2.162 21.857 -9.579 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.450 19.392 -8.466 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.291 21.628 -7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.078 20.191 -6.618 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.863 22.073 -7.498 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.597 22.032 -5.907 1.00 0.00 H new ATOM 1426 N ARG A 87 -4.549 19.575 -9.549 1.00 0.00 N ATOM 1427 CA ARG A 87 -5.712 18.757 -9.846 1.00 0.00 C ATOM 1428 C ARG A 87 -5.294 17.544 -10.670 1.00 0.00 C ATOM 1429 O ARG A 87 -5.723 16.409 -10.414 1.00 0.00 O ATOM 1430 CB ARG A 87 -6.770 19.568 -10.602 1.00 0.00 C ATOM 1431 CG ARG A 87 -8.163 18.970 -10.567 1.00 0.00 C ATOM 1432 CD ARG A 87 -9.175 19.902 -11.210 1.00 0.00 C ATOM 1433 NE ARG A 87 -10.554 19.481 -10.959 1.00 0.00 N ATOM 1434 CZ ARG A 87 -11.628 20.219 -11.262 1.00 0.00 C ATOM 1435 NH1 ARG A 87 -11.480 21.411 -11.835 1.00 0.00 N ATOM 1436 NH2 ARG A 87 -12.844 19.771 -10.980 1.00 0.00 N ATOM 0 H ARG A 87 -4.607 20.536 -9.885 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.148 18.420 -8.905 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.809 20.573 -10.181 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.458 19.670 -11.641 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.164 18.012 -11.088 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.451 18.772 -9.535 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -9.030 20.912 -10.827 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.999 19.940 -12.285 1.00 0.00 H new ATOM 0 HE ARG A 87 -10.705 18.570 -10.527 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.546 21.764 -12.044 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -12.300 21.972 -12.065 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -12.961 18.863 -10.531 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -13.662 20.335 -11.212 1.00 0.00 H new ATOM 1450 N PHE A 88 -4.436 17.803 -11.655 1.00 0.00 N ATOM 1451 CA PHE A 88 -3.912 16.768 -12.530 1.00 0.00 C ATOM 1452 C PHE A 88 -2.948 15.850 -11.774 1.00 0.00 C ATOM 1453 O PHE A 88 -3.015 14.627 -11.905 1.00 0.00 O ATOM 1454 CB PHE A 88 -3.213 17.407 -13.737 1.00 0.00 C ATOM 1455 CG PHE A 88 -2.493 16.428 -14.614 1.00 0.00 C ATOM 1456 CD1 PHE A 88 -3.198 15.541 -15.411 1.00 0.00 C ATOM 1457 CD2 PHE A 88 -1.110 16.393 -14.639 1.00 0.00 C ATOM 1458 CE1 PHE A 88 -2.535 14.638 -16.214 1.00 0.00 C ATOM 1459 CE2 PHE A 88 -0.441 15.492 -15.441 1.00 0.00 C ATOM 1460 CZ PHE A 88 -1.155 14.611 -16.230 1.00 0.00 C ATOM 0 H PHE A 88 -4.087 18.738 -11.865 1.00 0.00 H new ATOM 0 HA PHE A 88 -4.744 16.160 -12.885 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -3.955 17.937 -14.335 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.501 18.151 -13.380 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -4.278 15.557 -15.403 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.548 17.079 -14.023 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.095 13.951 -16.831 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.639 15.475 -15.452 1.00 0.00 H new ATOM 0 HZ PHE A 88 -0.635 13.903 -16.858 1.00 0.00 H new ATOM 1470 N ASN A 89 -2.059 16.451 -10.985 1.00 0.00 N ATOM 1471 CA ASN A 89 -1.091 15.696 -10.182 1.00 0.00 C ATOM 1472 C ASN A 89 -1.799 14.686 -9.299 1.00 0.00 C ATOM 1473 O ASN A 89 -1.465 13.503 -9.299 1.00 0.00 O ATOM 1474 CB ASN A 89 -0.243 16.636 -9.309 1.00 0.00 C ATOM 1475 CG ASN A 89 0.771 17.434 -10.102 1.00 0.00 C ATOM 1476 OD1 ASN A 89 1.242 16.993 -11.148 1.00 0.00 O ATOM 1477 ND2 ASN A 89 1.129 18.604 -9.601 1.00 0.00 N ATOM 0 H ASN A 89 -1.987 17.463 -10.883 1.00 0.00 H new ATOM 0 HA ASN A 89 -0.432 15.169 -10.872 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -0.903 17.323 -8.780 1.00 0.00 H new ATOM 0 HB3 ASN A 89 0.278 16.048 -8.553 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.820 19.176 -10.086 1.00 0.00 H new ATOM 0 HD22 ASN A 89 0.714 18.934 -8.730 1.00 0.00 H new ATOM 1484 N TYR A 90 -2.780 15.163 -8.550 1.00 0.00 N ATOM 1485 CA TYR A 90 -3.573 14.320 -7.662 1.00 0.00 C ATOM 1486 C TYR A 90 -4.216 13.177 -8.441 1.00 0.00 C ATOM 1487 O TYR A 90 -4.188 12.028 -8.010 1.00 0.00 O ATOM 1488 CB TYR A 90 -4.644 15.159 -6.967 1.00 0.00 C ATOM 1489 CG TYR A 90 -4.107 16.305 -6.129 1.00 0.00 C ATOM 1490 CD1 TYR A 90 -2.760 16.390 -5.780 1.00 0.00 C ATOM 1491 CD2 TYR A 90 -4.957 17.300 -5.684 1.00 0.00 C ATOM 1492 CE1 TYR A 90 -2.288 17.434 -5.017 1.00 0.00 C ATOM 1493 CE2 TYR A 90 -4.497 18.345 -4.921 1.00 0.00 C ATOM 1494 CZ TYR A 90 -3.155 18.410 -4.587 1.00 0.00 C ATOM 1495 OH TYR A 90 -2.680 19.456 -3.834 1.00 0.00 O ATOM 0 H TYR A 90 -3.051 16.146 -8.539 1.00 0.00 H new ATOM 0 HA TYR A 90 -2.915 13.891 -6.907 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.317 15.564 -7.723 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -5.239 14.507 -6.328 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.076 15.624 -6.114 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.005 17.255 -5.942 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.241 17.486 -4.757 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.178 19.112 -4.583 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.822 19.758 -4.198 1.00 0.00 H new ATOM 1505 N GLU A 91 -4.786 13.509 -9.594 1.00 0.00 N ATOM 1506 CA GLU A 91 -5.421 12.521 -10.464 1.00 0.00 C ATOM 1507 C GLU A 91 -4.429 11.432 -10.873 1.00 0.00 C ATOM 1508 O GLU A 91 -4.751 10.234 -10.857 1.00 0.00 O ATOM 1509 CB GLU A 91 -6.003 13.209 -11.699 1.00 0.00 C ATOM 1510 CG GLU A 91 -6.601 12.242 -12.710 1.00 0.00 C ATOM 1511 CD GLU A 91 -7.335 12.944 -13.817 1.00 0.00 C ATOM 1512 OE1 GLU A 91 -6.691 13.356 -14.801 1.00 0.00 O ATOM 1513 OE2 GLU A 91 -8.573 13.098 -13.706 1.00 0.00 O ATOM 0 H GLU A 91 -4.822 14.463 -9.952 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.230 12.044 -9.911 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.773 13.913 -11.383 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.219 13.790 -12.184 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.806 11.631 -13.137 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.284 11.564 -12.199 1.00 0.00 H new ATOM 1520 N GLU A 92 -3.217 11.847 -11.218 1.00 0.00 N ATOM 1521 CA GLU A 92 -2.187 10.919 -11.635 1.00 0.00 C ATOM 1522 C GLU A 92 -1.730 10.076 -10.448 1.00 0.00 C ATOM 1523 O GLU A 92 -1.450 8.882 -10.582 1.00 0.00 O ATOM 1524 CB GLU A 92 -1.005 11.674 -12.232 1.00 0.00 C ATOM 1525 CG GLU A 92 -0.052 10.793 -13.018 1.00 0.00 C ATOM 1526 CD GLU A 92 -0.678 10.251 -14.287 1.00 0.00 C ATOM 1527 OE1 GLU A 92 -0.768 11.006 -15.278 1.00 0.00 O ATOM 1528 OE2 GLU A 92 -1.074 9.065 -14.309 1.00 0.00 O ATOM 0 H GLU A 92 -2.927 12.825 -11.215 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.598 10.258 -12.398 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.381 12.461 -12.886 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.454 12.163 -11.428 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.841 11.365 -13.272 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.270 9.961 -12.391 1.00 0.00 H new ATOM 1535 N ALA A 93 -1.675 10.712 -9.276 1.00 0.00 N ATOM 1536 CA ALA A 93 -1.278 10.042 -8.051 1.00 0.00 C ATOM 1537 C ALA A 93 -2.264 8.931 -7.730 1.00 0.00 C ATOM 1538 O ALA A 93 -1.868 7.806 -7.415 1.00 0.00 O ATOM 1539 CB ALA A 93 -1.191 11.039 -6.898 1.00 0.00 C ATOM 0 H ALA A 93 -1.904 11.699 -9.157 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.290 9.604 -8.191 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.892 10.518 -5.988 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.454 11.806 -7.135 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.164 11.505 -6.746 1.00 0.00 H new ATOM 1545 N GLN A 94 -3.557 9.256 -7.830 1.00 0.00 N ATOM 1546 CA GLN A 94 -4.621 8.280 -7.612 1.00 0.00 C ATOM 1547 C GLN A 94 -4.449 7.112 -8.558 1.00 0.00 C ATOM 1548 O GLN A 94 -4.654 5.956 -8.185 1.00 0.00 O ATOM 1549 CB GLN A 94 -5.992 8.910 -7.858 1.00 0.00 C ATOM 1550 CG GLN A 94 -6.362 10.012 -6.894 1.00 0.00 C ATOM 1551 CD GLN A 94 -7.718 10.613 -7.206 1.00 0.00 C ATOM 1552 OE1 GLN A 94 -7.826 11.594 -7.952 1.00 0.00 O ATOM 1553 NE2 GLN A 94 -8.763 10.033 -6.652 1.00 0.00 N ATOM 0 H GLN A 94 -3.889 10.192 -8.062 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.561 7.939 -6.578 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.017 9.309 -8.872 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.751 8.129 -7.804 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.366 9.618 -5.878 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.603 10.794 -6.929 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.634 9.226 -6.042 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.701 10.391 -6.833 1.00 0.00 H new ATOM 1562 N THR A 95 -4.048 7.427 -9.780 1.00 0.00 N ATOM 1563 CA THR A 95 -3.871 6.435 -10.811 1.00 0.00 C ATOM 1564 C THR A 95 -2.848 5.380 -10.399 1.00 0.00 C ATOM 1565 O THR A 95 -3.142 4.184 -10.419 1.00 0.00 O ATOM 1566 CB THR A 95 -3.431 7.076 -12.141 1.00 0.00 C ATOM 1567 OG1 THR A 95 -4.365 8.106 -12.522 1.00 0.00 O ATOM 1568 CG2 THR A 95 -3.354 6.026 -13.242 1.00 0.00 C ATOM 0 H THR A 95 -3.838 8.380 -10.078 1.00 0.00 H new ATOM 0 HA THR A 95 -4.839 5.955 -10.953 1.00 0.00 H new ATOM 0 HB THR A 95 -2.442 7.514 -12.002 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.279 8.868 -11.912 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.042 6.498 -14.174 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.631 5.259 -12.964 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.334 5.569 -13.378 1.00 0.00 H new ATOM 1576 N LEU A 96 -1.661 5.815 -9.978 1.00 0.00 N ATOM 1577 CA LEU A 96 -0.609 4.878 -9.621 1.00 0.00 C ATOM 1578 C LEU A 96 -0.954 4.132 -8.347 1.00 0.00 C ATOM 1579 O LEU A 96 -0.676 2.936 -8.219 1.00 0.00 O ATOM 1580 CB LEU A 96 0.736 5.596 -9.454 1.00 0.00 C ATOM 1581 CG LEU A 96 1.258 6.326 -10.698 1.00 0.00 C ATOM 1582 CD1 LEU A 96 2.536 7.082 -10.378 1.00 0.00 C ATOM 1583 CD2 LEU A 96 1.492 5.344 -11.834 1.00 0.00 C ATOM 0 H LEU A 96 -1.410 6.799 -9.878 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.523 4.159 -10.436 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.643 6.319 -8.643 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.482 4.864 -9.145 1.00 0.00 H new ATOM 0 HG LEU A 96 0.503 7.046 -11.014 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.890 7.593 -11.273 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.339 7.815 -9.596 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.297 6.381 -10.035 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.862 5.880 -12.708 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.227 4.600 -11.526 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.555 4.846 -12.084 1.00 0.00 H new ATOM 1595 N SER A 97 -1.569 4.844 -7.413 1.00 0.00 N ATOM 1596 CA SER A 97 -1.960 4.276 -6.139 1.00 0.00 C ATOM 1597 C SER A 97 -2.895 3.085 -6.330 1.00 0.00 C ATOM 1598 O SER A 97 -2.674 2.007 -5.771 1.00 0.00 O ATOM 1599 CB SER A 97 -2.624 5.342 -5.277 1.00 0.00 C ATOM 1600 OG SER A 97 -1.758 6.449 -5.089 1.00 0.00 O ATOM 0 H SER A 97 -1.809 5.830 -7.521 1.00 0.00 H new ATOM 0 HA SER A 97 -1.063 3.917 -5.634 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.549 5.674 -5.749 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.894 4.918 -4.310 1.00 0.00 H new ATOM 0 HG SER A 97 -1.669 6.941 -5.932 1.00 0.00 H new ATOM 1606 N LYS A 98 -3.937 3.285 -7.137 1.00 0.00 N ATOM 1607 CA LYS A 98 -4.907 2.238 -7.404 1.00 0.00 C ATOM 1608 C LYS A 98 -4.260 1.058 -8.108 1.00 0.00 C ATOM 1609 O LYS A 98 -4.566 -0.094 -7.801 1.00 0.00 O ATOM 1610 CB LYS A 98 -6.064 2.767 -8.241 1.00 0.00 C ATOM 1611 CG LYS A 98 -6.904 3.813 -7.543 1.00 0.00 C ATOM 1612 CD LYS A 98 -8.075 4.221 -8.409 1.00 0.00 C ATOM 1613 CE LYS A 98 -8.882 5.326 -7.764 1.00 0.00 C ATOM 1614 NZ LYS A 98 -10.017 5.742 -8.619 1.00 0.00 N ATOM 0 H LYS A 98 -4.126 4.166 -7.615 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.294 1.900 -6.443 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.667 3.192 -9.163 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.705 1.932 -8.525 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.267 3.421 -6.593 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.292 4.686 -7.315 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.711 4.554 -9.381 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.716 3.357 -8.587 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.258 4.987 -6.799 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.237 6.184 -7.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.548 6.501 -8.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.656 6.089 -9.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.645 4.929 -8.782 1.00 0.00 H new ATOM 1628 N ILE A 99 -3.352 1.343 -9.044 1.00 0.00 N ATOM 1629 CA ILE A 99 -2.668 0.287 -9.776 1.00 0.00 C ATOM 1630 C ILE A 99 -1.842 -0.571 -8.818 1.00 0.00 C ATOM 1631 O ILE A 99 -1.819 -1.799 -8.920 1.00 0.00 O ATOM 1632 CB ILE A 99 -1.754 0.850 -10.898 1.00 0.00 C ATOM 1633 CG1 ILE A 99 -2.590 1.623 -11.924 1.00 0.00 C ATOM 1634 CG2 ILE A 99 -0.989 -0.283 -11.583 1.00 0.00 C ATOM 1635 CD1 ILE A 99 -1.767 2.287 -13.012 1.00 0.00 C ATOM 0 H ILE A 99 -3.078 2.289 -9.308 1.00 0.00 H new ATOM 0 HA ILE A 99 -3.435 -0.326 -10.250 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.032 1.532 -10.448 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.302 0.940 -12.387 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.171 2.385 -11.405 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.353 0.129 -12.367 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.371 -0.801 -10.849 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.697 -0.986 -12.022 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.429 2.814 -13.699 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.073 2.996 -12.561 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.207 1.528 -13.558 1.00 0.00 H new ATOM 1647 N LEU A 100 -1.180 0.097 -7.870 1.00 0.00 N ATOM 1648 CA LEU A 100 -0.372 -0.579 -6.865 1.00 0.00 C ATOM 1649 C LEU A 100 -1.251 -1.521 -6.044 1.00 0.00 C ATOM 1650 O LEU A 100 -0.914 -2.685 -5.844 1.00 0.00 O ATOM 1651 CB LEU A 100 0.322 0.466 -5.956 1.00 0.00 C ATOM 1652 CG LEU A 100 1.529 -0.017 -5.109 1.00 0.00 C ATOM 1653 CD1 LEU A 100 1.096 -0.937 -3.975 1.00 0.00 C ATOM 1654 CD2 LEU A 100 2.562 -0.707 -5.990 1.00 0.00 C ATOM 0 H LEU A 100 -1.191 1.113 -7.782 1.00 0.00 H new ATOM 0 HA LEU A 100 0.401 -1.170 -7.356 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.660 1.289 -6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.427 0.871 -5.276 1.00 0.00 H new ATOM 0 HG LEU A 100 1.983 0.866 -4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.972 -1.252 -3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.409 -0.405 -3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.597 -1.814 -4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.400 -1.038 -5.377 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.107 -1.569 -6.478 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.920 -0.009 -6.747 1.00 0.00 H new ATOM 1666 N LEU A 101 -2.396 -1.001 -5.591 1.00 0.00 N ATOM 1667 CA LEU A 101 -3.351 -1.782 -4.807 1.00 0.00 C ATOM 1668 C LEU A 101 -3.836 -2.996 -5.596 1.00 0.00 C ATOM 1669 O LEU A 101 -3.988 -4.088 -5.043 1.00 0.00 O ATOM 1670 CB LEU A 101 -4.558 -0.915 -4.411 1.00 0.00 C ATOM 1671 CG LEU A 101 -4.272 0.297 -3.510 1.00 0.00 C ATOM 1672 CD1 LEU A 101 -5.554 1.063 -3.235 1.00 0.00 C ATOM 1673 CD2 LEU A 101 -3.623 -0.144 -2.208 1.00 0.00 C ATOM 0 H LEU A 101 -2.683 -0.036 -5.757 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.842 -2.125 -3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.033 -0.556 -5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.283 -1.552 -3.904 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.578 0.958 -4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.337 1.919 -2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.978 1.412 -4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.269 0.409 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.429 0.729 -1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.291 -0.825 -1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.683 -0.652 -2.424 1.00 0.00 H new ATOM 1685 N LYS A 102 -4.067 -2.800 -6.890 1.00 0.00 N ATOM 1686 CA LYS A 102 -4.522 -3.873 -7.763 1.00 0.00 C ATOM 1687 C LYS A 102 -3.476 -4.983 -7.877 1.00 0.00 C ATOM 1688 O LYS A 102 -3.804 -6.160 -7.700 1.00 0.00 O ATOM 1689 CB LYS A 102 -4.873 -3.322 -9.148 1.00 0.00 C ATOM 1690 CG LYS A 102 -6.146 -2.481 -9.168 1.00 0.00 C ATOM 1691 CD LYS A 102 -6.261 -1.645 -10.442 1.00 0.00 C ATOM 1692 CE LYS A 102 -6.202 -2.499 -11.700 1.00 0.00 C ATOM 1693 NZ LYS A 102 -7.292 -3.509 -11.748 1.00 0.00 N ATOM 0 H LYS A 102 -3.945 -1.902 -7.358 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.418 -4.306 -7.320 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.042 -2.716 -9.510 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.987 -4.154 -9.842 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.014 -3.135 -9.084 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.159 -1.822 -8.300 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.199 -1.090 -10.426 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.456 -0.911 -10.466 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.268 -1.855 -12.577 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -5.238 -3.005 -11.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.273 -3.997 -12.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -7.157 -4.202 -10.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.210 -3.035 -11.627 1.00 0.00 H new ATOM 1707 N ASP A 103 -2.224 -4.621 -8.162 1.00 0.00 N ATOM 1708 CA ASP A 103 -1.161 -5.628 -8.302 1.00 0.00 C ATOM 1709 C ASP A 103 -0.898 -6.314 -6.969 1.00 0.00 C ATOM 1710 O ASP A 103 -0.662 -7.524 -6.919 1.00 0.00 O ATOM 1711 CB ASP A 103 0.138 -4.985 -8.812 1.00 0.00 C ATOM 1712 CG ASP A 103 1.139 -6.007 -9.335 1.00 0.00 C ATOM 1713 OD1 ASP A 103 1.940 -6.532 -8.545 1.00 0.00 O ATOM 1714 OD2 ASP A 103 1.138 -6.271 -10.561 1.00 0.00 O ATOM 0 H ASP A 103 -1.921 -3.657 -8.299 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.497 -6.369 -9.028 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -0.100 -4.278 -9.606 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.597 -4.415 -8.004 1.00 0.00 H new ATOM 1719 N LEU A 104 -0.979 -5.547 -5.884 1.00 0.00 N ATOM 1720 CA LEU A 104 -0.740 -6.071 -4.547 1.00 0.00 C ATOM 1721 C LEU A 104 -1.760 -7.150 -4.218 1.00 0.00 C ATOM 1722 O LEU A 104 -1.416 -8.242 -3.758 1.00 0.00 O ATOM 1723 CB LEU A 104 -0.857 -4.930 -3.530 1.00 0.00 C ATOM 1724 CG LEU A 104 -0.293 -5.200 -2.135 1.00 0.00 C ATOM 1725 CD1 LEU A 104 1.197 -5.481 -2.206 1.00 0.00 C ATOM 1726 CD2 LEU A 104 -0.561 -4.016 -1.223 1.00 0.00 C ATOM 0 H LEU A 104 -1.210 -4.554 -5.909 1.00 0.00 H new ATOM 0 HA LEU A 104 0.259 -6.504 -4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.352 -4.055 -3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.911 -4.671 -3.428 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.790 -6.079 -1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.580 -5.671 -1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.373 -6.355 -2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.710 -4.619 -2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.155 -4.220 -0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.085 -3.125 -1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.636 -3.851 -1.147 1.00 0.00 H new ATOM 1738 N LYS A 105 -3.019 -6.827 -4.430 1.00 0.00 N ATOM 1739 CA LYS A 105 -4.086 -7.758 -4.176 1.00 0.00 C ATOM 1740 C LYS A 105 -4.023 -8.961 -5.121 1.00 0.00 C ATOM 1741 O LYS A 105 -4.518 -10.041 -4.791 1.00 0.00 O ATOM 1742 CB LYS A 105 -5.430 -7.063 -4.254 1.00 0.00 C ATOM 1743 CG LYS A 105 -6.513 -7.790 -3.502 1.00 0.00 C ATOM 1744 CD LYS A 105 -7.696 -6.891 -3.252 1.00 0.00 C ATOM 1745 CE LYS A 105 -8.727 -7.567 -2.361 1.00 0.00 C ATOM 1746 NZ LYS A 105 -8.193 -7.861 -1.003 1.00 0.00 N ATOM 0 H LYS A 105 -3.324 -5.919 -4.780 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.961 -8.142 -3.163 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.334 -6.053 -3.856 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.723 -6.967 -5.299 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.830 -8.665 -4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.120 -8.152 -2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.360 -5.966 -2.785 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.156 -6.619 -4.202 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -9.604 -6.926 -2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.056 -8.495 -2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.879 -8.439 -0.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.296 -8.380 -1.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.030 -6.969 -0.493 1.00 0.00 H new ATOM 1760 N GLU A 106 -3.423 -8.781 -6.297 1.00 0.00 N ATOM 1761 CA GLU A 106 -3.234 -9.907 -7.199 1.00 0.00 C ATOM 1762 C GLU A 106 -2.268 -10.900 -6.555 1.00 0.00 C ATOM 1763 O GLU A 106 -2.385 -12.116 -6.735 1.00 0.00 O ATOM 1764 CB GLU A 106 -2.715 -9.465 -8.575 1.00 0.00 C ATOM 1765 CG GLU A 106 -2.738 -10.593 -9.598 1.00 0.00 C ATOM 1766 CD GLU A 106 -2.195 -10.201 -10.954 1.00 0.00 C ATOM 1767 OE1 GLU A 106 -2.773 -9.302 -11.598 1.00 0.00 O ATOM 1768 OE2 GLU A 106 -1.197 -10.817 -11.403 1.00 0.00 O ATOM 0 H GLU A 106 -3.068 -7.888 -6.638 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.201 -10.381 -7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.322 -8.636 -8.939 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.696 -9.093 -8.473 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.157 -11.431 -9.213 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.764 -10.943 -9.715 1.00 0.00 H new ATOM 1775 N THR A 107 -1.321 -10.366 -5.787 1.00 0.00 N ATOM 1776 CA THR A 107 -0.395 -11.187 -5.034 1.00 0.00 C ATOM 1777 C THR A 107 -1.182 -11.991 -3.996 1.00 0.00 C ATOM 1778 O THR A 107 -0.983 -13.200 -3.848 1.00 0.00 O ATOM 1779 CB THR A 107 0.664 -10.325 -4.317 1.00 0.00 C ATOM 1780 OG1 THR A 107 1.237 -9.404 -5.246 1.00 0.00 O ATOM 1781 CG2 THR A 107 1.767 -11.193 -3.722 1.00 0.00 C ATOM 0 H THR A 107 -1.180 -9.362 -5.674 1.00 0.00 H new ATOM 0 HA THR A 107 0.122 -11.853 -5.725 1.00 0.00 H new ATOM 0 HB THR A 107 0.174 -9.785 -3.507 1.00 0.00 H new ATOM 0 HG1 THR A 107 0.633 -8.642 -5.366 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.500 -10.559 -3.223 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.335 -11.886 -3.000 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.256 -11.756 -4.517 1.00 0.00 H new ATOM 1789 N GLU A 108 -2.085 -11.295 -3.285 1.00 0.00 N ATOM 1790 CA GLU A 108 -2.989 -11.909 -2.300 1.00 0.00 C ATOM 1791 C GLU A 108 -3.724 -13.099 -2.905 1.00 0.00 C ATOM 1792 O GLU A 108 -3.781 -14.181 -2.314 1.00 0.00 O ATOM 1793 CB GLU A 108 -4.004 -10.865 -1.828 1.00 0.00 C ATOM 1794 CG GLU A 108 -5.003 -11.376 -0.803 1.00 0.00 C ATOM 1795 CD GLU A 108 -6.195 -10.456 -0.657 1.00 0.00 C ATOM 1796 OE1 GLU A 108 -6.007 -9.286 -0.278 1.00 0.00 O ATOM 1797 OE2 GLU A 108 -7.328 -10.895 -0.941 1.00 0.00 O ATOM 0 H GLU A 108 -2.208 -10.287 -3.378 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.398 -12.264 -1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.465 -10.019 -1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.550 -10.490 -2.694 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.346 -12.368 -1.096 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.508 -11.482 0.162 1.00 0.00 H new ATOM 1804 N GLN A 109 -4.283 -12.890 -4.084 1.00 0.00 N ATOM 1805 CA GLN A 109 -5.004 -13.933 -4.784 1.00 0.00 C ATOM 1806 C GLN A 109 -4.110 -15.151 -5.029 1.00 0.00 C ATOM 1807 O GLN A 109 -4.526 -16.284 -4.825 1.00 0.00 O ATOM 1808 CB GLN A 109 -5.539 -13.407 -6.117 1.00 0.00 C ATOM 1809 CG GLN A 109 -6.275 -14.454 -6.933 1.00 0.00 C ATOM 1810 CD GLN A 109 -7.606 -14.848 -6.330 1.00 0.00 C ATOM 1811 OE1 GLN A 109 -8.280 -14.039 -5.690 1.00 0.00 O ATOM 1812 NE2 GLN A 109 -7.994 -16.088 -6.529 1.00 0.00 N ATOM 0 H GLN A 109 -4.249 -11.998 -4.578 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.841 -14.240 -4.157 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -6.211 -12.570 -5.924 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -4.707 -13.019 -6.705 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -6.438 -14.072 -7.941 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -5.648 -15.341 -7.026 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -7.406 -16.727 -7.065 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -8.883 -16.412 -6.148 1.00 0.00 H new ATOM 1821 N LYS A 110 -2.877 -14.901 -5.440 1.00 0.00 N ATOM 1822 CA LYS A 110 -1.945 -15.973 -5.765 1.00 0.00 C ATOM 1823 C LYS A 110 -1.448 -16.716 -4.519 1.00 0.00 C ATOM 1824 O LYS A 110 -1.382 -17.949 -4.503 1.00 0.00 O ATOM 1825 CB LYS A 110 -0.777 -15.435 -6.584 1.00 0.00 C ATOM 1826 CG LYS A 110 -1.196 -14.921 -7.950 1.00 0.00 C ATOM 1827 CD LYS A 110 -0.050 -14.247 -8.679 1.00 0.00 C ATOM 1828 CE LYS A 110 -0.518 -13.668 -10.000 1.00 0.00 C ATOM 1829 NZ LYS A 110 0.526 -12.849 -10.658 1.00 0.00 N ATOM 0 H LYS A 110 -2.496 -13.962 -5.557 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.489 -16.702 -6.366 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.294 -14.629 -6.031 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.036 -16.224 -6.711 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.570 -15.750 -8.550 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.018 -14.215 -7.835 1.00 0.00 H new ATOM 0 HD2 LYS A 110 0.367 -13.455 -8.057 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.749 -14.968 -8.855 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.813 -14.479 -10.665 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.404 -13.056 -9.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.124 -11.930 -10.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 1.316 -12.698 -9.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.872 -13.343 -11.505 1.00 0.00 H new ATOM 1843 N VAL A 111 -1.102 -15.967 -3.472 1.00 0.00 N ATOM 1844 CA VAL A 111 -0.625 -16.578 -2.236 1.00 0.00 C ATOM 1845 C VAL A 111 -1.714 -17.456 -1.619 1.00 0.00 C ATOM 1846 O VAL A 111 -1.441 -18.563 -1.166 1.00 0.00 O ATOM 1847 CB VAL A 111 -0.096 -15.521 -1.202 1.00 0.00 C ATOM 1848 CG1 VAL A 111 -1.168 -14.528 -0.805 1.00 0.00 C ATOM 1849 CG2 VAL A 111 0.475 -16.203 0.030 1.00 0.00 C ATOM 0 H VAL A 111 -1.143 -14.948 -3.456 1.00 0.00 H new ATOM 0 HA VAL A 111 0.227 -17.206 -2.497 1.00 0.00 H new ATOM 0 HB VAL A 111 0.701 -14.966 -1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.757 -13.816 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.515 -13.994 -1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.005 -15.058 -0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.834 -15.449 0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.301 -16.801 0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.302 -16.850 -0.263 1.00 0.00 H new ATOM 1859 N LYS A 112 -2.948 -16.959 -1.618 1.00 0.00 N ATOM 1860 CA LYS A 112 -4.078 -17.728 -1.113 1.00 0.00 C ATOM 1861 C LYS A 112 -4.430 -18.866 -2.079 1.00 0.00 C ATOM 1862 O LYS A 112 -5.068 -19.847 -1.698 1.00 0.00 O ATOM 1863 CB LYS A 112 -5.293 -16.809 -0.897 1.00 0.00 C ATOM 1864 CG LYS A 112 -6.148 -16.588 -2.139 1.00 0.00 C ATOM 1865 CD LYS A 112 -7.187 -15.505 -1.913 1.00 0.00 C ATOM 1866 CE LYS A 112 -8.352 -15.641 -2.877 1.00 0.00 C ATOM 1867 NZ LYS A 112 -9.064 -16.933 -2.708 1.00 0.00 N ATOM 0 H LYS A 112 -3.189 -16.029 -1.961 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.799 -18.167 -0.155 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -5.919 -17.234 -0.112 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.942 -15.842 -0.537 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.509 -16.311 -2.978 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -6.645 -17.519 -2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -7.554 -15.559 -0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.725 -14.525 -2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -9.050 -14.819 -2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.987 -15.559 -3.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -10.082 -16.756 -2.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.912 -17.526 -3.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.698 -17.424 -1.868 1.00 0.00 H new ATOM 1881 N ASP A 113 -4.009 -18.714 -3.332 1.00 0.00 N ATOM 1882 CA ASP A 113 -4.262 -19.714 -4.368 1.00 0.00 C ATOM 1883 C ASP A 113 -3.447 -20.978 -4.125 1.00 0.00 C ATOM 1884 O ASP A 113 -3.903 -22.084 -4.425 1.00 0.00 O ATOM 1885 CB ASP A 113 -3.951 -19.145 -5.756 1.00 0.00 C ATOM 1886 CG ASP A 113 -4.246 -20.119 -6.877 1.00 0.00 C ATOM 1887 OD1 ASP A 113 -5.424 -20.223 -7.282 1.00 0.00 O ATOM 1888 OD2 ASP A 113 -3.303 -20.775 -7.367 1.00 0.00 O ATOM 0 H ASP A 113 -3.486 -17.901 -3.657 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.319 -19.976 -4.324 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.534 -18.237 -5.909 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.900 -18.860 -5.798 1.00 0.00 H new ATOM 1893 N ILE A 114 -2.255 -20.827 -3.559 1.00 0.00 N ATOM 1894 CA ILE A 114 -1.403 -21.978 -3.264 1.00 0.00 C ATOM 1895 C ILE A 114 -2.010 -22.812 -2.128 1.00 0.00 C ATOM 1896 O ILE A 114 -2.236 -22.309 -1.027 1.00 0.00 O ATOM 1897 CB ILE A 114 0.059 -21.522 -2.869 1.00 0.00 C ATOM 1898 CG1 ILE A 114 0.984 -21.472 -4.089 1.00 0.00 C ATOM 1899 CG2 ILE A 114 0.667 -22.409 -1.795 1.00 0.00 C ATOM 1900 CD1 ILE A 114 0.604 -20.427 -5.115 1.00 0.00 C ATOM 0 H ILE A 114 -1.857 -19.926 -3.296 1.00 0.00 H new ATOM 0 HA ILE A 114 -1.341 -22.587 -4.166 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.036 -20.515 -2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.002 -21.279 -3.751 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.987 -22.451 -4.568 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.671 -22.057 -1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.048 -22.372 -0.899 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.719 -23.436 -2.158 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.310 -20.459 -5.945 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.401 -20.629 -5.485 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.629 -19.439 -4.655 1.00 0.00 H new ATOM 1912 N GLN A 115 -2.343 -24.066 -2.418 1.00 0.00 N ATOM 1913 CA GLN A 115 -2.846 -24.964 -1.392 1.00 0.00 C ATOM 1914 C GLN A 115 -1.698 -25.442 -0.506 1.00 0.00 C ATOM 1915 O GLN A 115 -0.703 -25.984 -0.987 1.00 0.00 O ATOM 1916 CB GLN A 115 -3.572 -26.154 -2.019 1.00 0.00 C ATOM 1917 CG GLN A 115 -2.714 -26.967 -2.964 1.00 0.00 C ATOM 1918 CD GLN A 115 -3.484 -28.072 -3.653 1.00 0.00 C ATOM 1919 OE1 GLN A 115 -4.685 -27.949 -3.905 1.00 0.00 O ATOM 1920 NE2 GLN A 115 -2.807 -29.155 -3.962 1.00 0.00 N ATOM 0 H GLN A 115 -2.273 -24.478 -3.348 1.00 0.00 H new ATOM 0 HA GLN A 115 -3.562 -24.420 -0.776 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -3.937 -26.805 -1.224 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -4.446 -25.790 -2.559 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -2.284 -26.306 -3.717 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -1.882 -27.401 -2.409 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -1.814 -29.218 -3.736 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -3.274 -29.933 -4.428 1.00 0.00 H new ATOM 1929 N THR A 116 -1.837 -25.218 0.767 1.00 0.00 N ATOM 1930 CA THR A 116 -0.808 -25.603 1.702 1.00 0.00 C ATOM 1931 C THR A 116 -1.227 -26.745 2.609 1.00 0.00 C ATOM 1932 O THR A 116 -2.383 -27.195 2.576 1.00 0.00 O ATOM 1933 CB THR A 116 -0.344 -24.410 2.524 1.00 0.00 C ATOM 1934 OG1 THR A 116 -1.481 -23.753 3.103 1.00 0.00 O ATOM 1935 CG2 THR A 116 0.417 -23.448 1.636 1.00 0.00 C ATOM 0 H THR A 116 -2.652 -24.771 1.187 1.00 0.00 H new ATOM 0 HA THR A 116 0.027 -25.967 1.104 1.00 0.00 H new ATOM 0 HB THR A 116 0.313 -24.751 3.324 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.280 -22.802 3.231 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.749 -22.594 2.226 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.284 -23.954 1.210 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.233 -23.103 0.832 1.00 0.00 H new ATOM 1943 N GLN A 117 -0.265 -27.210 3.408 1.00 0.00 N ATOM 1944 CA GLN A 117 -0.446 -28.321 4.331 1.00 0.00 C ATOM 1945 C GLN A 117 -0.967 -29.565 3.603 1.00 0.00 C ATOM 1946 O GLN A 117 -2.153 -29.907 3.755 1.00 0.00 O ATOM 1947 CB GLN A 117 -1.368 -27.922 5.487 1.00 0.00 C ATOM 1948 CG GLN A 117 -1.457 -28.967 6.581 1.00 0.00 C ATOM 1949 CD GLN A 117 -2.149 -28.457 7.823 1.00 0.00 C ATOM 1950 OE1 GLN A 117 -3.022 -27.594 7.759 1.00 0.00 O ATOM 1951 NE2 GLN A 117 -1.754 -28.984 8.959 1.00 0.00 N ATOM 1952 OXT GLN A 117 -0.178 -30.182 2.858 1.00 0.00 O ATOM 0 H GLN A 117 0.675 -26.816 3.429 1.00 0.00 H new ATOM 0 HA GLN A 117 0.527 -28.573 4.753 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.012 -26.986 5.918 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.367 -27.733 5.095 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -1.994 -29.837 6.203 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -0.452 -29.300 6.841 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -1.026 -29.698 8.964 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -2.176 -28.679 9.836 1.00 0.00 H new TER 1961 GLN A 117