USER MOD reduce.3.24.130724 H: found=0, std=0, add=1107, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1107 hydrogens (20 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 NoAdj-H: B 170 SEP H2 : B 170 SEP N : B 169 ASN C :(H bumps) USER MOD NoAdj-H: B 171 SEP H2 : B 171 SEP N : B 170 SEP C :(H bumps) USER MOD NoAdj-H: B 171 SEP H : B 171 SEP N : B 170 SEP C :(H bumps) USER MOD NoAdj-H: B 173 SEP H2 : B 173 SEP N : B 172 GLY C :(H bumps) USER MOD NoAdj-H: B 173 SEP H : B 173 SEP N : B 172 GLY C :(H bumps) USER MOD NoAdj-H: B 174 SEP H2 : B 174 SEP N : B 173 SEP C :(H bumps) USER MOD NoAdj-H: B 174 SEP H : B 174 SEP N : B 173 SEP C :(H bumps) USER MOD NoAdj-H: B 177 SEP H2 : B 177 SEP N : B 176 ASP C :(H bumps) USER MOD NoAdj-H: B 177 SEP H : B 177 SEP N : B 176 ASP C :(H bumps) USER MOD Set 1.1: A 60 MET CE :methyl -153:sc=-0.00506 (180deg=-0.0217) USER MOD Set 1.2: A 111 MET CE :methyl -165:sc=-0.00407 (180deg=-0.373) USER MOD Set 2.1: A 86 HIS : no HD1:sc= -0.557 K(o=-0.56,f=-4.1!) USER MOD Set 2.2: A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 74 ASN : amide:sc= 0.0722 K(o=-0.16,f=-4.5!) USER MOD Set 3.2: A 76 ASN :FLIP amide:sc= -0.231 F(o=-3.3,f=-0.16) USER MOD Set 4.1: A 38 TYR OH : rot 180:sc= 0.057 USER MOD Set 4.2: A 39 LYS NZ :NH3+ -177:sc= 0.0675 (180deg=-0.00267) USER MOD Set 5.1: A 26 GLN : amide:sc= -0.0329 X(o=-0.17,f=-0.0067) USER MOD Set 5.2: A 27 HIS : no HD1:sc= -0.139 X(o=-0.17,f=-0.0067) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.133 (180deg=0) USER MOD Single : A 3 MET CE :methyl -170:sc= -0.191 (180deg=-0.344) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0169 USER MOD Single : A 8 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0763) USER MOD Single : A 9 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.23) USER MOD Single : A 12 THR OG1 : rot 102:sc= 0.0187 USER MOD Single : A 15 GLN : amide:sc= 0.686 K(o=0.69,f=-5.9!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -138:sc= 0.707 (180deg=-0.133) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN :FLIP amide:sc= 0 F(o=-2.1!,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 162:sc= 2.47 (180deg=2.09) USER MOD Single : A 50 THR OG1 : rot 138:sc= 0.147 USER MOD Single : A 51 LYS NZ :NH3+ 162:sc= 1.23 (180deg=0.996) USER MOD Single : A 57 HIS :FLIP no HD1:sc= -0.685 F(o=-1.5,f=-0.68) USER MOD Single : A 59 ASN : amide:sc= -0.69 X(o=-0.69,f=-0.72) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0453) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc=-0.00812 K(o=-0.0081,f=-1.4!) USER MOD Single : A 84 ASN : amide:sc= -0.208 K(o=-0.21,f=-1.9!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.00835 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -68:sc= 1.27 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= -0.027 USER MOD Single : A 113 TYR OH : rot 178:sc= 1.31 USER MOD Single : A 115 SER OG : rot 73:sc= 0.177 USER MOD Single : A 116 GLN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 118 THR OG1 : rot 25:sc= 0.25 USER MOD Single : B 169 ASN : amide:sc= -0.0702 K(o=-0.07,f=-1.4) USER MOD Single : B 183 MET CE :methyl -144:sc= -0.0256 (180deg=-0.727) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.780 -27.814 -9.320 1.00 41.14 N ATOM 2 CA GLY A 1 -3.237 -27.130 -8.138 1.00 75.10 C ATOM 3 C GLY A 1 -4.149 -25.980 -7.753 1.00 72.04 C ATOM 4 O GLY A 1 -5.321 -25.978 -8.138 1.00 44.21 O ATOM 0 H1 GLY A 1 -3.879 -28.830 -9.119 1.00 41.14 H new ATOM 0 H2 GLY A 1 -4.711 -27.415 -9.554 1.00 41.14 H new ATOM 0 H3 GLY A 1 -3.134 -27.682 -10.125 1.00 41.14 H new ATOM 0 HA2 GLY A 1 -3.149 -27.831 -7.308 1.00 75.10 H new ATOM 0 HA3 GLY A 1 -2.235 -26.758 -8.349 1.00 75.10 H new ATOM 8 N ALA A 2 -3.649 -24.994 -7.009 1.00 12.15 N ATOM 9 CA ALA A 2 -4.436 -23.845 -6.575 1.00 73.22 C ATOM 10 C ALA A 2 -3.673 -22.544 -6.781 1.00 61.20 C ATOM 11 O ALA A 2 -2.472 -22.542 -7.060 1.00 62.22 O ATOM 12 CB ALA A 2 -4.862 -24.037 -5.122 1.00 21.31 C ATOM 0 H ALA A 2 -2.681 -24.972 -6.690 1.00 12.15 H new ATOM 0 HA ALA A 2 -5.335 -23.776 -7.188 1.00 73.22 H new ATOM 0 HB1 ALA A 2 -5.450 -23.178 -4.799 1.00 21.31 H new ATOM 0 HB2 ALA A 2 -5.464 -24.942 -5.036 1.00 21.31 H new ATOM 0 HB3 ALA A 2 -3.977 -24.129 -4.492 1.00 21.31 H new ATOM 18 N MET A 3 -4.406 -21.440 -6.682 1.00 61.33 N ATOM 19 CA MET A 3 -3.936 -20.074 -6.843 1.00 33.45 C ATOM 20 C MET A 3 -4.894 -19.197 -6.051 1.00 20.45 C ATOM 21 O MET A 3 -6.108 -19.268 -6.271 1.00 23.11 O ATOM 22 CB MET A 3 -3.988 -19.680 -8.330 1.00 14.31 C ATOM 23 CG MET A 3 -2.626 -19.747 -9.027 1.00 40.32 C ATOM 24 SD MET A 3 -1.326 -18.627 -8.416 1.00 75.24 S ATOM 25 CE MET A 3 -2.242 -17.081 -8.179 1.00 35.03 C ATOM 0 H MET A 3 -5.404 -21.481 -6.475 1.00 61.33 H new ATOM 0 HA MET A 3 -2.909 -19.962 -6.495 1.00 33.45 H new ATOM 0 HB2 MET A 3 -4.685 -20.338 -8.848 1.00 14.31 H new ATOM 0 HB3 MET A 3 -4.382 -18.667 -8.416 1.00 14.31 H new ATOM 0 HG2 MET A 3 -2.256 -20.769 -8.949 1.00 40.32 H new ATOM 0 HG3 MET A 3 -2.778 -19.543 -10.087 1.00 40.32 H new ATOM 0 HE1 MET A 3 -1.542 -16.270 -7.980 1.00 35.03 H new ATOM 0 HE2 MET A 3 -2.813 -16.855 -9.079 1.00 35.03 H new ATOM 0 HE3 MET A 3 -2.923 -17.187 -7.335 1.00 35.03 H new ATOM 35 N GLY A 4 -4.393 -18.395 -5.119 1.00 11.22 N ATOM 36 CA GLY A 4 -5.244 -17.527 -4.329 1.00 51.54 C ATOM 37 C GLY A 4 -5.599 -16.265 -5.112 1.00 21.12 C ATOM 38 O GLY A 4 -4.827 -15.802 -5.956 1.00 20.41 O ATOM 0 H GLY A 4 -3.400 -18.331 -4.895 1.00 11.22 H new ATOM 0 HA2 GLY A 4 -6.155 -18.057 -4.051 1.00 51.54 H new ATOM 0 HA3 GLY A 4 -4.737 -17.256 -3.403 1.00 51.54 H new ATOM 42 N LYS A 5 -6.784 -15.716 -4.846 1.00 14.51 N ATOM 43 CA LYS A 5 -7.278 -14.512 -5.504 1.00 41.10 C ATOM 44 C LYS A 5 -6.773 -13.292 -4.750 1.00 51.11 C ATOM 45 O LYS A 5 -7.069 -13.107 -3.568 1.00 14.54 O ATOM 46 CB LYS A 5 -8.814 -14.498 -5.526 1.00 24.32 C ATOM 47 CG LYS A 5 -9.449 -15.570 -6.428 1.00 41.31 C ATOM 48 CD LYS A 5 -9.416 -15.191 -7.911 1.00 51.31 C ATOM 49 CE LYS A 5 -10.106 -16.266 -8.754 1.00 55.40 C ATOM 50 NZ LYS A 5 -10.084 -15.933 -10.191 1.00 53.14 N ATOM 0 H LYS A 5 -7.433 -16.101 -4.160 1.00 14.51 H new ATOM 0 HA LYS A 5 -6.915 -14.496 -6.532 1.00 41.10 H new ATOM 0 HB2 LYS A 5 -9.181 -14.634 -4.509 1.00 24.32 H new ATOM 0 HB3 LYS A 5 -9.151 -13.516 -5.858 1.00 24.32 H new ATOM 0 HG2 LYS A 5 -8.924 -16.515 -6.287 1.00 41.31 H new ATOM 0 HG3 LYS A 5 -10.483 -15.731 -6.121 1.00 41.31 H new ATOM 0 HD2 LYS A 5 -9.911 -14.231 -8.058 1.00 51.31 H new ATOM 0 HD3 LYS A 5 -8.383 -15.070 -8.239 1.00 51.31 H new ATOM 0 HE2 LYS A 5 -9.612 -17.225 -8.595 1.00 55.40 H new ATOM 0 HE3 LYS A 5 -11.138 -16.380 -8.423 1.00 55.40 H new ATOM 0 HZ1 LYS A 5 -10.561 -16.685 -10.729 1.00 53.14 H new ATOM 0 HZ2 LYS A 5 -10.577 -15.031 -10.346 1.00 53.14 H new ATOM 0 HZ3 LYS A 5 -9.099 -15.849 -10.513 1.00 53.14 H new ATOM 64 N THR A 6 -6.010 -12.457 -5.440 1.00 13.45 N ATOM 65 CA THR A 6 -5.463 -11.224 -4.894 1.00 14.31 C ATOM 66 C THR A 6 -6.630 -10.249 -4.642 1.00 54.50 C ATOM 67 O THR A 6 -7.715 -10.416 -5.210 1.00 32.02 O ATOM 68 CB THR A 6 -4.469 -10.641 -5.917 1.00 63.11 C ATOM 69 OG1 THR A 6 -3.734 -11.637 -6.605 1.00 1.33 O ATOM 70 CG2 THR A 6 -3.474 -9.678 -5.283 1.00 62.00 C ATOM 0 H THR A 6 -5.749 -12.621 -6.412 1.00 13.45 H new ATOM 0 HA THR A 6 -4.939 -11.400 -3.954 1.00 14.31 H new ATOM 0 HB THR A 6 -5.099 -10.104 -6.627 1.00 63.11 H new ATOM 0 HG1 THR A 6 -3.122 -11.211 -7.241 1.00 1.33 H new ATOM 0 HG21 THR A 6 -2.798 -9.297 -6.048 1.00 62.00 H new ATOM 0 HG22 THR A 6 -4.012 -8.846 -4.828 1.00 62.00 H new ATOM 0 HG23 THR A 6 -2.899 -10.200 -4.518 1.00 62.00 H new ATOM 78 N PHE A 7 -6.407 -9.170 -3.884 1.00 33.14 N ATOM 79 CA PHE A 7 -7.420 -8.155 -3.576 1.00 35.03 C ATOM 80 C PHE A 7 -8.139 -7.687 -4.858 1.00 54.53 C ATOM 81 O PHE A 7 -9.355 -7.826 -4.992 1.00 60.34 O ATOM 82 CB PHE A 7 -6.760 -7.004 -2.791 1.00 55.21 C ATOM 83 CG PHE A 7 -5.654 -6.274 -3.535 1.00 12.34 C ATOM 84 CD1 PHE A 7 -5.974 -5.205 -4.389 1.00 33.43 C ATOM 85 CD2 PHE A 7 -4.314 -6.690 -3.428 1.00 53.51 C ATOM 86 CE1 PHE A 7 -4.993 -4.611 -5.193 1.00 0.51 C ATOM 87 CE2 PHE A 7 -3.327 -6.093 -4.231 1.00 72.10 C ATOM 88 CZ PHE A 7 -3.671 -5.073 -5.132 1.00 33.13 C ATOM 0 H PHE A 7 -5.500 -8.974 -3.460 1.00 33.14 H new ATOM 0 HA PHE A 7 -8.198 -8.581 -2.942 1.00 35.03 H new ATOM 0 HB2 PHE A 7 -7.530 -6.283 -2.516 1.00 55.21 H new ATOM 0 HB3 PHE A 7 -6.351 -7.404 -1.863 1.00 55.21 H new ATOM 0 HD1 PHE A 7 -6.989 -4.837 -4.426 1.00 33.43 H new ATOM 0 HD2 PHE A 7 -4.044 -7.468 -2.729 1.00 53.51 H new ATOM 0 HE1 PHE A 7 -5.254 -3.800 -5.857 1.00 0.51 H new ATOM 0 HE2 PHE A 7 -2.301 -6.420 -4.155 1.00 72.10 H new ATOM 0 HZ PHE A 7 -2.918 -4.645 -5.777 1.00 33.13 H new ATOM 98 N LYS A 8 -7.371 -7.314 -5.893 1.00 43.13 N ATOM 99 CA LYS A 8 -7.906 -6.839 -7.172 1.00 4.32 C ATOM 100 C LYS A 8 -8.747 -7.873 -7.914 1.00 74.20 C ATOM 101 O LYS A 8 -9.469 -7.520 -8.841 1.00 13.54 O ATOM 102 CB LYS A 8 -6.778 -6.312 -8.073 1.00 33.31 C ATOM 103 CG LYS A 8 -5.856 -7.402 -8.644 1.00 34.41 C ATOM 104 CD LYS A 8 -4.892 -6.838 -9.696 1.00 22.03 C ATOM 105 CE LYS A 8 -3.699 -6.064 -9.132 1.00 13.41 C ATOM 106 NZ LYS A 8 -2.784 -6.914 -8.340 1.00 74.01 N ATOM 0 H LYS A 8 -6.352 -7.335 -5.862 1.00 43.13 H new ATOM 0 HA LYS A 8 -8.584 -6.023 -6.924 1.00 4.32 H new ATOM 0 HB2 LYS A 8 -7.220 -5.758 -8.901 1.00 33.31 H new ATOM 0 HB3 LYS A 8 -6.175 -5.606 -7.503 1.00 33.31 H new ATOM 0 HG2 LYS A 8 -5.285 -7.856 -7.834 1.00 34.41 H new ATOM 0 HG3 LYS A 8 -6.460 -8.192 -9.091 1.00 34.41 H new ATOM 0 HD2 LYS A 8 -4.517 -7.663 -10.302 1.00 22.03 H new ATOM 0 HD3 LYS A 8 -5.450 -6.180 -10.363 1.00 22.03 H new ATOM 0 HE2 LYS A 8 -3.145 -5.610 -9.954 1.00 13.41 H new ATOM 0 HE3 LYS A 8 -4.064 -5.250 -8.506 1.00 13.41 H new ATOM 0 HZ1 LYS A 8 -1.922 -6.378 -8.112 1.00 74.01 H new ATOM 0 HZ2 LYS A 8 -3.255 -7.204 -7.459 1.00 74.01 H new ATOM 0 HZ3 LYS A 8 -2.531 -7.759 -8.891 1.00 74.01 H new ATOM 120 N GLN A 9 -8.536 -9.162 -7.639 1.00 22.25 N ATOM 121 CA GLN A 9 -9.301 -10.230 -8.256 1.00 32.22 C ATOM 122 C GLN A 9 -10.619 -10.396 -7.500 1.00 41.10 C ATOM 123 O GLN A 9 -11.642 -10.673 -8.122 1.00 60.34 O ATOM 124 CB GLN A 9 -8.529 -11.557 -8.269 1.00 64.14 C ATOM 125 CG GLN A 9 -7.306 -11.602 -9.197 1.00 11.13 C ATOM 126 CD GLN A 9 -7.653 -11.236 -10.642 1.00 72.40 C ATOM 127 OE1 GLN A 9 -8.604 -11.744 -11.239 1.00 4.14 O ATOM 128 NE2 GLN A 9 -6.913 -10.305 -11.211 1.00 61.42 N ATOM 0 H GLN A 9 -7.828 -9.487 -6.981 1.00 22.25 H new ATOM 0 HA GLN A 9 -9.492 -9.960 -9.295 1.00 32.22 H new ATOM 0 HB2 GLN A 9 -8.200 -11.776 -7.253 1.00 64.14 H new ATOM 0 HB3 GLN A 9 -9.214 -12.353 -8.561 1.00 64.14 H new ATOM 0 HG2 GLN A 9 -6.546 -10.916 -8.824 1.00 11.13 H new ATOM 0 HG3 GLN A 9 -6.872 -12.602 -9.173 1.00 11.13 H new ATOM 0 HE21 GLN A 9 -6.129 -9.895 -10.703 1.00 61.42 H new ATOM 0 HE22 GLN A 9 -7.124 -9.995 -12.159 1.00 61.42 H new ATOM 137 N ARG A 10 -10.624 -10.223 -6.168 1.00 20.01 N ATOM 138 CA ARG A 10 -11.860 -10.385 -5.405 1.00 0.24 C ATOM 139 C ARG A 10 -12.803 -9.190 -5.568 1.00 23.02 C ATOM 140 O ARG A 10 -14.014 -9.374 -5.516 1.00 61.02 O ATOM 141 CB ARG A 10 -11.594 -10.750 -3.929 1.00 11.22 C ATOM 142 CG ARG A 10 -11.133 -9.603 -3.000 1.00 62.11 C ATOM 143 CD ARG A 10 -11.927 -9.497 -1.686 1.00 15.13 C ATOM 144 NE ARG A 10 -11.539 -10.502 -0.687 1.00 20.24 N ATOM 145 CZ ARG A 10 -12.141 -10.726 0.489 1.00 24.44 C ATOM 146 NH1 ARG A 10 -13.264 -10.103 0.829 1.00 31.05 N ATOM 147 NH2 ARG A 10 -11.587 -11.577 1.345 1.00 62.41 N ATOM 0 H ARG A 10 -9.804 -9.977 -5.613 1.00 20.01 H new ATOM 0 HA ARG A 10 -12.385 -11.239 -5.833 1.00 0.24 H new ATOM 0 HB2 ARG A 10 -12.507 -11.177 -3.515 1.00 11.22 H new ATOM 0 HB3 ARG A 10 -10.836 -11.533 -3.904 1.00 11.22 H new ATOM 0 HG2 ARG A 10 -10.078 -9.744 -2.764 1.00 62.11 H new ATOM 0 HG3 ARG A 10 -11.216 -8.659 -3.539 1.00 62.11 H new ATOM 0 HD2 ARG A 10 -11.785 -8.502 -1.264 1.00 15.13 H new ATOM 0 HD3 ARG A 10 -12.990 -9.603 -1.903 1.00 15.13 H new ATOM 0 HE ARG A 10 -10.733 -11.086 -0.910 1.00 20.24 H new ATOM 0 HH11 ARG A 10 -13.690 -9.434 0.188 1.00 31.05 H new ATOM 0 HH12 ARG A 10 -13.700 -10.294 1.731 1.00 31.05 H new ATOM 0 HH21 ARG A 10 -10.716 -12.049 1.103 1.00 62.41 H new ATOM 0 HH22 ARG A 10 -12.033 -11.758 2.244 1.00 62.41 H new ATOM 161 N ARG A 11 -12.295 -8.013 -5.939 1.00 72.33 N ATOM 162 CA ARG A 11 -13.083 -6.797 -6.106 1.00 12.14 C ATOM 163 C ARG A 11 -12.977 -6.408 -7.577 1.00 1.33 C ATOM 164 O ARG A 11 -11.894 -6.114 -8.093 1.00 35.02 O ATOM 165 CB ARG A 11 -12.535 -5.712 -5.152 1.00 74.01 C ATOM 166 CG ARG A 11 -13.436 -5.334 -3.973 1.00 2.51 C ATOM 167 CD ARG A 11 -13.733 -6.455 -2.973 1.00 31.41 C ATOM 168 NE ARG A 11 -14.062 -5.897 -1.647 1.00 53.23 N ATOM 169 CZ ARG A 11 -15.163 -5.204 -1.315 1.00 20.11 C ATOM 170 NH1 ARG A 11 -16.153 -5.081 -2.189 1.00 61.00 N ATOM 171 NH2 ARG A 11 -15.264 -4.608 -0.130 1.00 60.20 N ATOM 0 H ARG A 11 -11.303 -7.879 -6.135 1.00 72.33 H new ATOM 0 HA ARG A 11 -14.135 -6.932 -5.852 1.00 12.14 H new ATOM 0 HB2 ARG A 11 -11.578 -6.054 -4.757 1.00 74.01 H new ATOM 0 HB3 ARG A 11 -12.336 -4.812 -5.734 1.00 74.01 H new ATOM 0 HG2 ARG A 11 -12.971 -4.508 -3.436 1.00 2.51 H new ATOM 0 HG3 ARG A 11 -14.383 -4.965 -4.368 1.00 2.51 H new ATOM 0 HD2 ARG A 11 -14.564 -7.061 -3.334 1.00 31.41 H new ATOM 0 HD3 ARG A 11 -12.869 -7.115 -2.891 1.00 31.41 H new ATOM 0 HE ARG A 11 -13.381 -6.054 -0.904 1.00 53.23 H new ATOM 0 HH11 ARG A 11 -16.077 -5.512 -3.110 1.00 61.00 H new ATOM 0 HH12 ARG A 11 -16.991 -4.555 -1.940 1.00 61.00 H new ATOM 0 HH21 ARG A 11 -14.499 -4.674 0.541 1.00 60.20 H new ATOM 0 HH22 ARG A 11 -16.107 -4.085 0.108 1.00 60.20 H new ATOM 185 N THR A 12 -14.119 -6.466 -8.254 1.00 13.22 N ATOM 186 CA THR A 12 -14.333 -6.175 -9.667 1.00 42.24 C ATOM 187 C THR A 12 -13.907 -4.736 -10.005 1.00 74.01 C ATOM 188 O THR A 12 -13.773 -3.920 -9.094 1.00 73.10 O ATOM 189 CB THR A 12 -15.833 -6.438 -9.904 1.00 12.33 C ATOM 190 OG1 THR A 12 -16.176 -7.706 -9.353 1.00 55.23 O ATOM 191 CG2 THR A 12 -16.247 -6.397 -11.377 1.00 12.35 C ATOM 0 H THR A 12 -14.987 -6.739 -7.793 1.00 13.22 H new ATOM 0 HA THR A 12 -13.727 -6.799 -10.324 1.00 42.24 H new ATOM 0 HB THR A 12 -16.373 -5.629 -9.411 1.00 12.33 H new ATOM 0 HG1 THR A 12 -16.629 -7.577 -8.494 1.00 55.23 H new ATOM 0 HG21 THR A 12 -17.316 -6.591 -11.460 1.00 12.35 H new ATOM 0 HG22 THR A 12 -16.024 -5.413 -11.790 1.00 12.35 H new ATOM 0 HG23 THR A 12 -15.696 -7.157 -11.931 1.00 12.35 H new ATOM 199 N PHE A 13 -13.692 -4.423 -11.293 1.00 53.34 N ATOM 200 CA PHE A 13 -13.267 -3.096 -11.736 1.00 11.34 C ATOM 201 C PHE A 13 -14.171 -1.991 -11.206 1.00 74.22 C ATOM 202 O PHE A 13 -13.668 -1.124 -10.497 1.00 70.32 O ATOM 203 CB PHE A 13 -13.071 -3.008 -13.260 1.00 75.34 C ATOM 204 CG PHE A 13 -12.204 -1.829 -13.671 1.00 41.34 C ATOM 205 CD1 PHE A 13 -12.678 -0.510 -13.535 1.00 10.35 C ATOM 206 CD2 PHE A 13 -10.893 -2.041 -14.139 1.00 65.42 C ATOM 207 CE1 PHE A 13 -11.825 0.576 -13.779 1.00 54.44 C ATOM 208 CE2 PHE A 13 -10.037 -0.952 -14.387 1.00 34.15 C ATOM 209 CZ PHE A 13 -10.499 0.359 -14.178 1.00 30.44 C ATOM 0 H PHE A 13 -13.810 -5.090 -12.056 1.00 53.34 H new ATOM 0 HA PHE A 13 -12.283 -2.934 -11.295 1.00 11.34 H new ATOM 0 HB2 PHE A 13 -12.615 -3.931 -13.618 1.00 75.34 H new ATOM 0 HB3 PHE A 13 -14.044 -2.924 -13.744 1.00 75.34 H new ATOM 0 HD1 PHE A 13 -13.702 -0.334 -13.242 1.00 10.35 H new ATOM 0 HD2 PHE A 13 -10.541 -3.048 -14.309 1.00 65.42 H new ATOM 0 HE1 PHE A 13 -12.192 1.585 -13.659 1.00 54.44 H new ATOM 0 HE2 PHE A 13 -9.029 -1.123 -14.736 1.00 34.15 H new ATOM 0 HZ PHE A 13 -9.834 1.197 -14.325 1.00 30.44 H new ATOM 219 N GLU A 14 -15.474 -2.014 -11.513 1.00 40.23 N ATOM 220 CA GLU A 14 -16.382 -0.971 -11.034 1.00 52.20 C ATOM 221 C GLU A 14 -16.319 -0.865 -9.511 1.00 11.13 C ATOM 222 O GLU A 14 -16.191 0.234 -8.975 1.00 33.12 O ATOM 223 CB GLU A 14 -17.825 -1.223 -11.483 1.00 22.32 C ATOM 224 CG GLU A 14 -18.042 -0.992 -12.977 1.00 5.43 C ATOM 225 CD GLU A 14 -19.537 -0.959 -13.284 1.00 54.44 C ATOM 226 OE1 GLU A 14 -20.172 -2.033 -13.404 1.00 43.11 O ATOM 227 OE2 GLU A 14 -20.113 0.151 -13.347 1.00 23.24 O ATOM 0 H GLU A 14 -15.916 -2.735 -12.084 1.00 40.23 H new ATOM 0 HA GLU A 14 -16.055 -0.028 -11.473 1.00 52.20 H new ATOM 0 HB2 GLU A 14 -18.101 -2.248 -11.237 1.00 22.32 H new ATOM 0 HB3 GLU A 14 -18.492 -0.570 -10.921 1.00 22.32 H new ATOM 0 HG2 GLU A 14 -17.579 -0.053 -13.280 1.00 5.43 H new ATOM 0 HG3 GLU A 14 -17.561 -1.785 -13.550 1.00 5.43 H new ATOM 234 N GLN A 15 -16.346 -2.002 -8.810 1.00 54.10 N ATOM 235 CA GLN A 15 -16.283 -2.018 -7.357 1.00 31.03 C ATOM 236 C GLN A 15 -14.981 -1.380 -6.850 1.00 13.43 C ATOM 237 O GLN A 15 -14.972 -0.788 -5.775 1.00 14.13 O ATOM 238 CB GLN A 15 -16.453 -3.460 -6.848 1.00 64.01 C ATOM 239 CG GLN A 15 -17.091 -3.497 -5.455 1.00 22.14 C ATOM 240 CD GLN A 15 -17.528 -4.911 -5.082 1.00 21.05 C ATOM 241 OE1 GLN A 15 -16.688 -5.786 -4.852 1.00 51.22 O ATOM 242 NE2 GLN A 15 -18.820 -5.170 -4.990 1.00 14.54 N ATOM 0 H GLN A 15 -16.412 -2.927 -9.235 1.00 54.10 H new ATOM 0 HA GLN A 15 -17.100 -1.416 -6.959 1.00 31.03 H new ATOM 0 HB2 GLN A 15 -17.072 -4.022 -7.547 1.00 64.01 H new ATOM 0 HB3 GLN A 15 -15.481 -3.952 -6.816 1.00 64.01 H new ATOM 0 HG2 GLN A 15 -16.379 -3.128 -4.717 1.00 22.14 H new ATOM 0 HG3 GLN A 15 -17.952 -2.829 -5.429 1.00 22.14 H new ATOM 0 HE21 GLN A 15 -19.502 -4.437 -5.183 1.00 14.54 H new ATOM 0 HE22 GLN A 15 -19.135 -6.103 -4.726 1.00 14.54 H new ATOM 251 N ARG A 16 -13.863 -1.496 -7.578 1.00 34.22 N ATOM 252 CA ARG A 16 -12.599 -0.902 -7.156 1.00 0.14 C ATOM 253 C ARG A 16 -12.619 0.606 -7.302 1.00 71.41 C ATOM 254 O ARG A 16 -12.375 1.263 -6.299 1.00 12.25 O ATOM 255 CB ARG A 16 -11.412 -1.460 -7.935 1.00 72.22 C ATOM 256 CG ARG A 16 -10.962 -2.798 -7.366 1.00 15.31 C ATOM 257 CD ARG A 16 -9.739 -3.310 -8.121 1.00 15.45 C ATOM 258 NE ARG A 16 -10.128 -4.065 -9.319 1.00 72.10 N ATOM 259 CZ ARG A 16 -9.938 -3.691 -10.589 1.00 52.43 C ATOM 260 NH1 ARG A 16 -9.570 -2.456 -10.932 1.00 52.21 N ATOM 261 NH2 ARG A 16 -10.111 -4.597 -11.546 1.00 32.22 N ATOM 0 H ARG A 16 -13.814 -1.999 -8.464 1.00 34.22 H new ATOM 0 HA ARG A 16 -12.480 -1.163 -6.104 1.00 0.14 H new ATOM 0 HB2 ARG A 16 -11.686 -1.581 -8.983 1.00 72.22 H new ATOM 0 HB3 ARG A 16 -10.585 -0.751 -7.901 1.00 72.22 H new ATOM 0 HG2 ARG A 16 -10.725 -2.690 -6.308 1.00 15.31 H new ATOM 0 HG3 ARG A 16 -11.773 -3.523 -7.439 1.00 15.31 H new ATOM 0 HD2 ARG A 16 -9.108 -2.469 -8.408 1.00 15.45 H new ATOM 0 HD3 ARG A 16 -9.144 -3.946 -7.465 1.00 15.45 H new ATOM 0 HE ARG A 16 -10.588 -4.963 -9.168 1.00 72.10 H new ATOM 0 HH11 ARG A 16 -9.421 -1.750 -10.211 1.00 52.21 H new ATOM 0 HH12 ARG A 16 -9.437 -2.218 -11.915 1.00 52.21 H new ATOM 0 HH21 ARG A 16 -10.382 -5.550 -11.303 1.00 32.22 H new ATOM 0 HH22 ARG A 16 -9.973 -4.339 -12.523 1.00 32.22 H new ATOM 275 N VAL A 17 -12.950 1.151 -8.474 1.00 73.00 N ATOM 276 CA VAL A 17 -12.983 2.604 -8.658 1.00 25.41 C ATOM 277 C VAL A 17 -14.039 3.226 -7.706 1.00 65.14 C ATOM 278 O VAL A 17 -13.910 4.395 -7.325 1.00 41.40 O ATOM 279 CB VAL A 17 -13.192 3.010 -10.129 1.00 62.12 C ATOM 280 CG1 VAL A 17 -11.908 2.785 -10.932 1.00 50.43 C ATOM 281 CG2 VAL A 17 -14.343 2.299 -10.841 1.00 54.53 C ATOM 0 H VAL A 17 -13.197 0.613 -9.305 1.00 73.00 H new ATOM 0 HA VAL A 17 -12.006 3.007 -8.392 1.00 25.41 H new ATOM 0 HB VAL A 17 -13.459 4.066 -10.087 1.00 62.12 H new ATOM 0 HG11 VAL A 17 -12.072 3.077 -11.969 1.00 50.43 H new ATOM 0 HG12 VAL A 17 -11.104 3.387 -10.509 1.00 50.43 H new ATOM 0 HG13 VAL A 17 -11.633 1.731 -10.890 1.00 50.43 H new ATOM 0 HG21 VAL A 17 -14.408 2.653 -11.870 1.00 54.53 H new ATOM 0 HG22 VAL A 17 -14.164 1.224 -10.838 1.00 54.53 H new ATOM 0 HG23 VAL A 17 -15.278 2.513 -10.324 1.00 54.53 H new ATOM 291 N GLU A 18 -15.106 2.489 -7.366 1.00 63.42 N ATOM 292 CA GLU A 18 -16.164 2.922 -6.455 1.00 74.42 C ATOM 293 C GLU A 18 -15.650 2.897 -4.998 1.00 32.05 C ATOM 294 O GLU A 18 -15.962 3.787 -4.204 1.00 63.32 O ATOM 295 CB GLU A 18 -17.394 2.018 -6.660 1.00 1.13 C ATOM 296 CG GLU A 18 -18.621 2.511 -5.890 1.00 22.43 C ATOM 297 CD GLU A 18 -19.878 1.709 -6.241 1.00 41.30 C ATOM 298 OE1 GLU A 18 -20.528 2.005 -7.270 1.00 32.23 O ATOM 299 OE2 GLU A 18 -20.269 0.816 -5.459 1.00 52.10 O ATOM 0 H GLU A 18 -15.257 1.548 -7.730 1.00 63.42 H new ATOM 0 HA GLU A 18 -16.459 3.950 -6.668 1.00 74.42 H new ATOM 0 HB2 GLU A 18 -17.632 1.970 -7.723 1.00 1.13 H new ATOM 0 HB3 GLU A 18 -17.152 1.004 -6.341 1.00 1.13 H new ATOM 0 HG2 GLU A 18 -18.431 2.437 -4.819 1.00 22.43 H new ATOM 0 HG3 GLU A 18 -18.789 3.565 -6.112 1.00 22.43 H new ATOM 306 N ASP A 19 -14.846 1.897 -4.632 1.00 62.43 N ATOM 307 CA ASP A 19 -14.254 1.732 -3.301 1.00 2.15 C ATOM 308 C ASP A 19 -13.274 2.860 -3.026 1.00 73.20 C ATOM 309 O ASP A 19 -13.345 3.537 -2.003 1.00 1.15 O ATOM 310 CB ASP A 19 -13.511 0.390 -3.233 1.00 34.12 C ATOM 311 CG ASP A 19 -12.625 0.225 -2.002 1.00 2.53 C ATOM 312 OD1 ASP A 19 -13.161 -0.301 -1.004 1.00 43.31 O ATOM 313 OD2 ASP A 19 -11.386 0.356 -2.124 1.00 63.42 O ATOM 0 H ASP A 19 -14.579 1.153 -5.276 1.00 62.43 H new ATOM 0 HA ASP A 19 -15.048 1.753 -2.554 1.00 2.15 H new ATOM 0 HB2 ASP A 19 -14.242 -0.418 -3.251 1.00 34.12 H new ATOM 0 HB3 ASP A 19 -12.896 0.283 -4.126 1.00 34.12 H new ATOM 318 N VAL A 20 -12.377 3.085 -3.979 1.00 14.44 N ATOM 319 CA VAL A 20 -11.367 4.118 -3.898 1.00 3.43 C ATOM 320 C VAL A 20 -12.024 5.478 -3.808 1.00 10.43 C ATOM 321 O VAL A 20 -11.710 6.189 -2.862 1.00 33.04 O ATOM 322 CB VAL A 20 -10.367 3.997 -5.058 1.00 34.13 C ATOM 323 CG1 VAL A 20 -9.619 2.682 -4.871 1.00 31.44 C ATOM 324 CG2 VAL A 20 -11.012 4.131 -6.419 1.00 5.44 C ATOM 0 H VAL A 20 -12.336 2.542 -4.842 1.00 14.44 H new ATOM 0 HA VAL A 20 -10.783 3.989 -2.987 1.00 3.43 H new ATOM 0 HB VAL A 20 -9.664 4.830 -5.031 1.00 34.13 H new ATOM 0 HG11 VAL A 20 -8.896 2.557 -5.677 1.00 31.44 H new ATOM 0 HG12 VAL A 20 -9.097 2.693 -3.914 1.00 31.44 H new ATOM 0 HG13 VAL A 20 -10.328 1.854 -4.888 1.00 31.44 H new ATOM 0 HG21 VAL A 20 -10.251 4.036 -7.193 1.00 5.44 H new ATOM 0 HG22 VAL A 20 -11.759 3.347 -6.546 1.00 5.44 H new ATOM 0 HG23 VAL A 20 -11.492 5.106 -6.500 1.00 5.44 H new ATOM 334 N ARG A 21 -12.940 5.851 -4.717 1.00 73.11 N ATOM 335 CA ARG A 21 -13.559 7.173 -4.626 1.00 61.40 C ATOM 336 C ARG A 21 -14.272 7.334 -3.284 1.00 54.53 C ATOM 337 O ARG A 21 -14.235 8.434 -2.744 1.00 14.32 O ATOM 338 CB ARG A 21 -14.440 7.508 -5.844 1.00 43.52 C ATOM 339 CG ARG A 21 -15.671 6.610 -6.017 1.00 62.23 C ATOM 340 CD ARG A 21 -16.946 7.159 -5.365 1.00 25.22 C ATOM 341 NE ARG A 21 -17.777 7.904 -6.332 1.00 63.21 N ATOM 342 CZ ARG A 21 -18.792 7.405 -7.059 1.00 24.31 C ATOM 343 NH1 ARG A 21 -19.145 6.135 -6.931 1.00 54.12 N ATOM 344 NH2 ARG A 21 -19.459 8.161 -7.922 1.00 14.51 N ATOM 0 H ARG A 21 -13.257 5.274 -5.496 1.00 73.11 H new ATOM 0 HA ARG A 21 -12.767 7.921 -4.658 1.00 61.40 H new ATOM 0 HB2 ARG A 21 -14.772 8.543 -5.760 1.00 43.52 H new ATOM 0 HB3 ARG A 21 -13.830 7.441 -6.745 1.00 43.52 H new ATOM 0 HG2 ARG A 21 -15.854 6.465 -7.082 1.00 62.23 H new ATOM 0 HG3 ARG A 21 -15.454 5.629 -5.594 1.00 62.23 H new ATOM 0 HD2 ARG A 21 -17.525 6.335 -4.947 1.00 25.22 H new ATOM 0 HD3 ARG A 21 -16.678 7.813 -4.536 1.00 25.22 H new ATOM 0 HE ARG A 21 -17.560 8.892 -6.461 1.00 63.21 H new ATOM 0 HH11 ARG A 21 -18.646 5.530 -6.278 1.00 54.12 H new ATOM 0 HH12 ARG A 21 -19.916 5.762 -7.485 1.00 54.12 H new ATOM 0 HH21 ARG A 21 -19.205 9.141 -8.044 1.00 14.51 H new ATOM 0 HH22 ARG A 21 -20.226 7.762 -8.463 1.00 14.51 H new ATOM 358 N LEU A 22 -14.892 6.281 -2.731 1.00 62.04 N ATOM 359 CA LEU A 22 -15.560 6.373 -1.434 1.00 22.42 C ATOM 360 C LEU A 22 -14.503 6.717 -0.382 1.00 51.33 C ATOM 361 O LEU A 22 -14.622 7.741 0.290 1.00 53.22 O ATOM 362 CB LEU A 22 -16.315 5.062 -1.134 1.00 22.32 C ATOM 363 CG LEU A 22 -16.942 4.900 0.269 1.00 74.40 C ATOM 364 CD1 LEU A 22 -15.976 4.273 1.277 1.00 22.21 C ATOM 365 CD2 LEU A 22 -17.576 6.168 0.855 1.00 24.15 C ATOM 0 H LEU A 22 -14.942 5.359 -3.165 1.00 62.04 H new ATOM 0 HA LEU A 22 -16.313 7.161 -1.428 1.00 22.42 H new ATOM 0 HB2 LEU A 22 -17.111 4.957 -1.871 1.00 22.32 H new ATOM 0 HB3 LEU A 22 -15.624 4.234 -1.290 1.00 22.32 H new ATOM 0 HG LEU A 22 -17.767 4.210 0.093 1.00 74.40 H new ATOM 0 HD11 LEU A 22 -16.468 4.183 2.245 1.00 22.21 H new ATOM 0 HD12 LEU A 22 -15.677 3.284 0.928 1.00 22.21 H new ATOM 0 HD13 LEU A 22 -15.093 4.905 1.376 1.00 22.21 H new ATOM 0 HD21 LEU A 22 -17.987 5.947 1.840 1.00 24.15 H new ATOM 0 HD22 LEU A 22 -16.818 6.946 0.944 1.00 24.15 H new ATOM 0 HD23 LEU A 22 -18.375 6.513 0.198 1.00 24.15 H new ATOM 377 N ILE A 23 -13.436 5.919 -0.275 1.00 5.54 N ATOM 378 CA ILE A 23 -12.334 6.114 0.676 1.00 10.41 C ATOM 379 C ILE A 23 -11.690 7.494 0.465 1.00 41.41 C ATOM 380 O ILE A 23 -11.313 8.160 1.430 1.00 44.52 O ATOM 381 CB ILE A 23 -11.388 4.892 0.598 1.00 53.12 C ATOM 382 CG1 ILE A 23 -12.120 3.696 1.251 1.00 71.11 C ATOM 383 CG2 ILE A 23 -10.049 5.126 1.303 1.00 44.54 C ATOM 384 CD1 ILE A 23 -11.399 2.356 1.131 1.00 1.52 C ATOM 0 H ILE A 23 -13.310 5.096 -0.864 1.00 5.54 H new ATOM 0 HA ILE A 23 -12.680 6.145 1.709 1.00 10.41 H new ATOM 0 HB ILE A 23 -11.152 4.702 -0.449 1.00 53.12 H new ATOM 0 HG12 ILE A 23 -12.273 3.916 2.308 1.00 71.11 H new ATOM 0 HG13 ILE A 23 -13.107 3.602 0.798 1.00 71.11 H new ATOM 0 HG21 ILE A 23 -9.430 4.233 1.213 1.00 44.54 H new ATOM 0 HG22 ILE A 23 -9.537 5.970 0.841 1.00 44.54 H new ATOM 0 HG23 ILE A 23 -10.225 5.341 2.357 1.00 44.54 H new ATOM 0 HD11 ILE A 23 -11.989 1.580 1.618 1.00 1.52 H new ATOM 0 HD12 ILE A 23 -11.269 2.106 0.078 1.00 1.52 H new ATOM 0 HD13 ILE A 23 -10.423 2.424 1.611 1.00 1.52 H new ATOM 396 N ARG A 24 -11.603 7.973 -0.775 1.00 52.40 N ATOM 397 CA ARG A 24 -11.038 9.274 -1.112 1.00 22.32 C ATOM 398 C ARG A 24 -11.962 10.387 -0.638 1.00 23.41 C ATOM 399 O ARG A 24 -11.473 11.445 -0.271 1.00 53.50 O ATOM 400 CB ARG A 24 -10.818 9.381 -2.627 1.00 42.33 C ATOM 401 CG ARG A 24 -9.803 8.367 -3.195 1.00 61.24 C ATOM 402 CD ARG A 24 -8.512 8.997 -3.688 1.00 72.43 C ATOM 403 NE ARG A 24 -7.748 9.536 -2.556 1.00 23.15 N ATOM 404 CZ ARG A 24 -7.545 10.824 -2.270 1.00 71.10 C ATOM 405 NH1 ARG A 24 -8.090 11.778 -3.011 1.00 25.04 N ATOM 406 NH2 ARG A 24 -6.822 11.151 -1.211 1.00 21.32 N ATOM 0 H ARG A 24 -11.931 7.454 -1.590 1.00 52.40 H new ATOM 0 HA ARG A 24 -10.076 9.377 -0.610 1.00 22.32 H new ATOM 0 HB2 ARG A 24 -11.774 9.242 -3.132 1.00 42.33 H new ATOM 0 HB3 ARG A 24 -10.477 10.389 -2.862 1.00 42.33 H new ATOM 0 HG2 ARG A 24 -9.566 7.634 -2.424 1.00 61.24 H new ATOM 0 HG3 ARG A 24 -10.268 7.825 -4.018 1.00 61.24 H new ATOM 0 HD2 ARG A 24 -7.916 8.255 -4.218 1.00 72.43 H new ATOM 0 HD3 ARG A 24 -8.735 9.793 -4.398 1.00 72.43 H new ATOM 0 HE ARG A 24 -7.329 8.856 -1.922 1.00 23.15 H new ATOM 0 HH11 ARG A 24 -8.673 11.532 -3.811 1.00 25.04 H new ATOM 0 HH12 ARG A 24 -7.927 12.758 -2.781 1.00 25.04 H new ATOM 0 HH21 ARG A 24 -6.424 10.421 -0.620 1.00 21.32 H new ATOM 0 HH22 ARG A 24 -6.662 12.133 -0.986 1.00 21.32 H new ATOM 420 N GLU A 25 -13.277 10.183 -0.620 1.00 65.10 N ATOM 421 CA GLU A 25 -14.212 11.204 -0.183 1.00 21.12 C ATOM 422 C GLU A 25 -14.260 11.261 1.346 1.00 70.42 C ATOM 423 O GLU A 25 -14.193 12.354 1.910 1.00 51.23 O ATOM 424 CB GLU A 25 -15.597 10.960 -0.801 1.00 74.20 C ATOM 425 CG GLU A 25 -16.330 12.287 -1.031 1.00 25.44 C ATOM 426 CD GLU A 25 -15.699 13.111 -2.158 1.00 3.33 C ATOM 427 OE1 GLU A 25 -15.835 12.712 -3.339 1.00 23.31 O ATOM 428 OE2 GLU A 25 -15.139 14.200 -1.892 1.00 3.22 O ATOM 0 H GLU A 25 -13.718 9.309 -0.907 1.00 65.10 H new ATOM 0 HA GLU A 25 -13.871 12.179 -0.532 1.00 21.12 H new ATOM 0 HB2 GLU A 25 -15.490 10.429 -1.747 1.00 74.20 H new ATOM 0 HB3 GLU A 25 -16.187 10.322 -0.143 1.00 74.20 H new ATOM 0 HG2 GLU A 25 -17.374 12.086 -1.271 1.00 25.44 H new ATOM 0 HG3 GLU A 25 -16.321 12.869 -0.109 1.00 25.44 H new ATOM 435 N GLN A 26 -14.356 10.112 2.029 1.00 21.24 N ATOM 436 CA GLN A 26 -14.398 10.072 3.496 1.00 24.05 C ATOM 437 C GLN A 26 -13.035 10.447 4.098 1.00 63.04 C ATOM 438 O GLN A 26 -13.003 11.049 5.176 1.00 65.41 O ATOM 439 CB GLN A 26 -14.871 8.701 4.028 1.00 44.32 C ATOM 440 CG GLN A 26 -13.923 7.563 3.631 1.00 51.51 C ATOM 441 CD GLN A 26 -14.243 6.199 4.237 1.00 62.41 C ATOM 442 OE1 GLN A 26 -13.372 5.554 4.809 1.00 61.14 O ATOM 443 NE2 GLN A 26 -15.466 5.718 4.171 1.00 30.35 N ATOM 0 H GLN A 26 -14.406 9.195 1.586 1.00 21.24 H new ATOM 0 HA GLN A 26 -15.131 10.814 3.813 1.00 24.05 H new ATOM 0 HB2 GLN A 26 -14.949 8.743 5.114 1.00 44.32 H new ATOM 0 HB3 GLN A 26 -15.869 8.490 3.644 1.00 44.32 H new ATOM 0 HG2 GLN A 26 -13.931 7.469 2.545 1.00 51.51 H new ATOM 0 HG3 GLN A 26 -12.909 7.841 3.920 1.00 51.51 H new ATOM 0 HE21 GLN A 26 -16.197 6.248 3.697 1.00 30.35 H new ATOM 0 HE22 GLN A 26 -15.683 4.815 4.594 1.00 30.35 H new ATOM 452 N HIS A 27 -11.931 10.116 3.406 1.00 54.42 N ATOM 453 CA HIS A 27 -10.559 10.387 3.817 1.00 71.40 C ATOM 454 C HIS A 27 -9.719 10.890 2.634 1.00 70.12 C ATOM 455 O HIS A 27 -8.856 10.174 2.114 1.00 64.11 O ATOM 456 CB HIS A 27 -9.926 9.173 4.518 1.00 14.22 C ATOM 457 CG HIS A 27 -10.512 8.981 5.889 1.00 24.02 C ATOM 458 ND1 HIS A 27 -10.281 9.783 6.987 1.00 64.33 N ATOM 459 CD2 HIS A 27 -11.427 8.033 6.246 1.00 13.22 C ATOM 460 CE1 HIS A 27 -11.025 9.305 7.994 1.00 11.34 C ATOM 461 NE2 HIS A 27 -11.770 8.271 7.579 1.00 61.03 N ATOM 0 H HIS A 27 -11.982 9.633 2.509 1.00 54.42 H new ATOM 0 HA HIS A 27 -10.580 11.189 4.555 1.00 71.40 H new ATOM 0 HB2 HIS A 27 -10.089 8.277 3.920 1.00 14.22 H new ATOM 0 HB3 HIS A 27 -8.848 9.314 4.595 1.00 14.22 H new ATOM 0 HD2 HIS A 27 -11.814 7.246 5.616 1.00 13.22 H new ATOM 0 HE1 HIS A 27 -11.024 9.698 9.000 1.00 11.34 H new ATOM 0 HE2 HIS A 27 -12.456 7.756 8.131 1.00 61.03 H new ATOM 469 N PRO A 28 -9.906 12.154 2.218 1.00 22.11 N ATOM 470 CA PRO A 28 -9.155 12.738 1.109 1.00 54.30 C ATOM 471 C PRO A 28 -7.707 13.018 1.499 1.00 14.23 C ATOM 472 O PRO A 28 -6.857 13.194 0.628 1.00 31.23 O ATOM 473 CB PRO A 28 -9.885 14.037 0.762 1.00 22.04 C ATOM 474 CG PRO A 28 -10.500 14.446 2.095 1.00 4.25 C ATOM 475 CD PRO A 28 -10.868 13.113 2.736 1.00 21.01 C ATOM 0 HA PRO A 28 -9.110 12.056 0.260 1.00 54.30 H new ATOM 0 HB2 PRO A 28 -9.201 14.796 0.382 1.00 22.04 H new ATOM 0 HB3 PRO A 28 -10.645 13.882 -0.003 1.00 22.04 H new ATOM 0 HG2 PRO A 28 -9.794 15.006 2.709 1.00 4.25 H new ATOM 0 HG3 PRO A 28 -11.375 15.081 1.956 1.00 4.25 H new ATOM 0 HD2 PRO A 28 -10.816 13.173 3.823 1.00 21.01 H new ATOM 0 HD3 PRO A 28 -11.887 12.823 2.481 1.00 21.01 H new ATOM 483 N THR A 29 -7.406 12.991 2.795 1.00 74.11 N ATOM 484 CA THR A 29 -6.090 13.246 3.335 1.00 33.12 C ATOM 485 C THR A 29 -5.255 11.959 3.428 1.00 10.24 C ATOM 486 O THR A 29 -4.136 11.982 3.951 1.00 64.30 O ATOM 487 CB THR A 29 -6.271 13.967 4.677 1.00 3.25 C ATOM 488 OG1 THR A 29 -6.828 13.145 5.682 1.00 24.43 O ATOM 489 CG2 THR A 29 -7.218 15.170 4.593 1.00 63.03 C ATOM 0 H THR A 29 -8.099 12.784 3.514 1.00 74.11 H new ATOM 0 HA THR A 29 -5.515 13.890 2.670 1.00 33.12 H new ATOM 0 HB THR A 29 -5.254 14.271 4.925 1.00 3.25 H new ATOM 0 HG1 THR A 29 -6.917 13.658 6.512 1.00 24.43 H new ATOM 0 HG21 THR A 29 -7.303 15.636 5.575 1.00 63.03 H new ATOM 0 HG22 THR A 29 -6.823 15.895 3.881 1.00 63.03 H new ATOM 0 HG23 THR A 29 -8.202 14.836 4.264 1.00 63.03 H new ATOM 497 N LYS A 30 -5.797 10.820 2.966 1.00 42.12 N ATOM 498 CA LYS A 30 -5.145 9.514 2.950 1.00 52.24 C ATOM 499 C LYS A 30 -5.015 9.105 1.490 1.00 52.32 C ATOM 500 O LYS A 30 -5.930 9.321 0.697 1.00 52.34 O ATOM 501 CB LYS A 30 -5.931 8.467 3.769 1.00 3.14 C ATOM 502 CG LYS A 30 -5.809 8.587 5.301 1.00 51.10 C ATOM 503 CD LYS A 30 -4.350 8.705 5.773 1.00 25.01 C ATOM 504 CE LYS A 30 -4.086 8.564 7.274 1.00 44.31 C ATOM 505 NZ LYS A 30 -4.964 9.446 8.074 1.00 70.12 N ATOM 0 H LYS A 30 -6.740 10.790 2.579 1.00 42.12 H new ATOM 0 HA LYS A 30 -4.164 9.573 3.421 1.00 52.24 H new ATOM 0 HB2 LYS A 30 -6.985 8.539 3.500 1.00 3.14 H new ATOM 0 HB3 LYS A 30 -5.594 7.474 3.473 1.00 3.14 H new ATOM 0 HG2 LYS A 30 -6.367 9.460 5.639 1.00 51.10 H new ATOM 0 HG3 LYS A 30 -6.268 7.715 5.767 1.00 51.10 H new ATOM 0 HD2 LYS A 30 -3.765 7.945 5.254 1.00 25.01 H new ATOM 0 HD3 LYS A 30 -3.969 9.675 5.453 1.00 25.01 H new ATOM 0 HE2 LYS A 30 -4.242 7.528 7.574 1.00 44.31 H new ATOM 0 HE3 LYS A 30 -3.043 8.803 7.483 1.00 44.31 H new ATOM 0 HZ1 LYS A 30 -4.412 9.884 8.839 1.00 70.12 H new ATOM 0 HZ2 LYS A 30 -5.359 10.189 7.463 1.00 70.12 H new ATOM 0 HZ3 LYS A 30 -5.739 8.886 8.483 1.00 70.12 H new ATOM 519 N ILE A 31 -3.903 8.481 1.141 1.00 21.35 N ATOM 520 CA ILE A 31 -3.544 8.016 -0.183 1.00 14.32 C ATOM 521 C ILE A 31 -3.731 6.493 -0.242 1.00 31.05 C ATOM 522 O ILE A 31 -3.093 5.803 0.570 1.00 13.12 O ATOM 523 CB ILE A 31 -2.058 8.367 -0.451 1.00 30.04 C ATOM 524 CG1 ILE A 31 -1.658 9.849 -0.253 1.00 22.44 C ATOM 525 CG2 ILE A 31 -1.669 7.919 -1.862 1.00 41.11 C ATOM 526 CD1 ILE A 31 -2.343 10.848 -1.183 1.00 73.30 C ATOM 0 H ILE A 31 -3.177 8.272 1.827 1.00 21.35 H new ATOM 0 HA ILE A 31 -4.174 8.491 -0.935 1.00 14.32 H new ATOM 0 HB ILE A 31 -1.506 7.825 0.317 1.00 30.04 H new ATOM 0 HG12 ILE A 31 -1.876 10.131 0.777 1.00 22.44 H new ATOM 0 HG13 ILE A 31 -0.580 9.936 -0.386 1.00 22.44 H new ATOM 0 HG21 ILE A 31 -0.624 8.167 -2.047 1.00 41.11 H new ATOM 0 HG22 ILE A 31 -1.808 6.842 -1.953 1.00 41.11 H new ATOM 0 HG23 ILE A 31 -2.298 8.429 -2.592 1.00 41.11 H new ATOM 0 HD11 ILE A 31 -1.991 11.855 -0.959 1.00 73.30 H new ATOM 0 HD12 ILE A 31 -2.106 10.603 -2.218 1.00 73.30 H new ATOM 0 HD13 ILE A 31 -3.422 10.800 -1.037 1.00 73.30 H new ATOM 538 N PRO A 32 -4.561 5.958 -1.165 1.00 30.01 N ATOM 539 CA PRO A 32 -4.764 4.521 -1.316 1.00 14.41 C ATOM 540 C PRO A 32 -3.567 3.927 -2.096 1.00 22.44 C ATOM 541 O PRO A 32 -3.440 4.043 -3.326 1.00 63.00 O ATOM 542 CB PRO A 32 -6.094 4.396 -2.067 1.00 14.31 C ATOM 543 CG PRO A 32 -6.126 5.636 -2.961 1.00 52.44 C ATOM 544 CD PRO A 32 -5.383 6.685 -2.133 1.00 42.10 C ATOM 0 HA PRO A 32 -4.811 3.972 -0.375 1.00 14.41 H new ATOM 0 HB2 PRO A 32 -6.137 3.479 -2.654 1.00 14.31 H new ATOM 0 HB3 PRO A 32 -6.941 4.376 -1.381 1.00 14.31 H new ATOM 0 HG2 PRO A 32 -5.634 5.456 -3.917 1.00 52.44 H new ATOM 0 HG3 PRO A 32 -7.147 5.947 -3.182 1.00 52.44 H new ATOM 0 HD2 PRO A 32 -4.762 7.313 -2.772 1.00 42.10 H new ATOM 0 HD3 PRO A 32 -6.086 7.345 -1.624 1.00 42.10 H new ATOM 552 N VAL A 33 -2.709 3.209 -1.376 1.00 53.43 N ATOM 553 CA VAL A 33 -1.503 2.583 -1.907 1.00 63.30 C ATOM 554 C VAL A 33 -1.511 1.101 -1.525 1.00 0.45 C ATOM 555 O VAL A 33 -2.016 0.734 -0.463 1.00 64.14 O ATOM 556 CB VAL A 33 -0.276 3.375 -1.390 1.00 71.40 C ATOM 557 CG1 VAL A 33 -0.168 3.483 0.134 1.00 42.44 C ATOM 558 CG2 VAL A 33 1.063 2.821 -1.892 1.00 73.44 C ATOM 0 H VAL A 33 -2.838 3.042 -0.378 1.00 53.43 H new ATOM 0 HA VAL A 33 -1.457 2.615 -2.996 1.00 63.30 H new ATOM 0 HB VAL A 33 -0.463 4.366 -1.803 1.00 71.40 H new ATOM 0 HG11 VAL A 33 0.722 4.055 0.396 1.00 42.44 H new ATOM 0 HG12 VAL A 33 -1.051 3.987 0.527 1.00 42.44 H new ATOM 0 HG13 VAL A 33 -0.098 2.484 0.565 1.00 42.44 H new ATOM 0 HG21 VAL A 33 1.879 3.423 -1.492 1.00 73.44 H new ATOM 0 HG22 VAL A 33 1.177 1.789 -1.561 1.00 73.44 H new ATOM 0 HG23 VAL A 33 1.086 2.857 -2.981 1.00 73.44 H new ATOM 568 N ILE A 34 -0.979 0.229 -2.375 1.00 52.23 N ATOM 569 CA ILE A 34 -0.892 -1.203 -2.151 1.00 24.31 C ATOM 570 C ILE A 34 0.594 -1.457 -1.953 1.00 23.32 C ATOM 571 O ILE A 34 1.380 -1.067 -2.817 1.00 40.43 O ATOM 572 CB ILE A 34 -1.411 -1.995 -3.367 1.00 64.24 C ATOM 573 CG1 ILE A 34 -2.894 -1.780 -3.715 1.00 51.32 C ATOM 574 CG2 ILE A 34 -1.225 -3.511 -3.150 1.00 52.42 C ATOM 575 CD1 ILE A 34 -3.297 -0.392 -4.196 1.00 40.21 C ATOM 0 H ILE A 34 -0.583 0.514 -3.271 1.00 52.23 H new ATOM 0 HA ILE A 34 -1.498 -1.522 -1.303 1.00 24.31 H new ATOM 0 HB ILE A 34 -0.815 -1.608 -4.194 1.00 64.24 H new ATOM 0 HG12 ILE A 34 -3.169 -2.499 -4.487 1.00 51.32 H new ATOM 0 HG13 ILE A 34 -3.487 -2.018 -2.832 1.00 51.32 H new ATOM 0 HG21 ILE A 34 -1.598 -4.052 -4.020 1.00 52.42 H new ATOM 0 HG22 ILE A 34 -0.167 -3.732 -3.012 1.00 52.42 H new ATOM 0 HG23 ILE A 34 -1.779 -3.822 -2.265 1.00 52.42 H new ATOM 0 HD11 ILE A 34 -4.366 -0.376 -4.407 1.00 40.21 H new ATOM 0 HD12 ILE A 34 -3.068 0.342 -3.423 1.00 40.21 H new ATOM 0 HD13 ILE A 34 -2.745 -0.147 -5.103 1.00 40.21 H new ATOM 587 N ILE A 35 0.993 -2.092 -0.855 1.00 44.14 N ATOM 588 CA ILE A 35 2.390 -2.394 -0.567 1.00 54.53 C ATOM 589 C ILE A 35 2.453 -3.913 -0.467 1.00 1.54 C ATOM 590 O ILE A 35 1.887 -4.479 0.469 1.00 44.11 O ATOM 591 CB ILE A 35 2.874 -1.648 0.699 1.00 71.42 C ATOM 592 CG1 ILE A 35 2.691 -0.118 0.544 1.00 75.20 C ATOM 593 CG2 ILE A 35 4.346 -1.996 0.982 1.00 31.04 C ATOM 594 CD1 ILE A 35 3.077 0.695 1.785 1.00 71.33 C ATOM 0 H ILE A 35 0.348 -2.414 -0.133 1.00 44.14 H new ATOM 0 HA ILE A 35 3.072 -2.046 -1.343 1.00 54.53 H new ATOM 0 HB ILE A 35 2.268 -1.970 1.546 1.00 71.42 H new ATOM 0 HG12 ILE A 35 3.290 0.224 -0.300 1.00 75.20 H new ATOM 0 HG13 ILE A 35 1.649 0.088 0.299 1.00 75.20 H new ATOM 0 HG21 ILE A 35 4.680 -1.467 1.875 1.00 31.04 H new ATOM 0 HG22 ILE A 35 4.442 -3.070 1.139 1.00 31.04 H new ATOM 0 HG23 ILE A 35 4.960 -1.697 0.132 1.00 31.04 H new ATOM 0 HD11 ILE A 35 2.918 1.755 1.589 1.00 71.33 H new ATOM 0 HD12 ILE A 35 2.461 0.385 2.629 1.00 71.33 H new ATOM 0 HD13 ILE A 35 4.127 0.523 2.020 1.00 71.33 H new ATOM 606 N GLU A 36 3.108 -4.558 -1.434 1.00 42.54 N ATOM 607 CA GLU A 36 3.243 -6.013 -1.477 1.00 1.54 C ATOM 608 C GLU A 36 4.722 -6.425 -1.471 1.00 14.11 C ATOM 609 O GLU A 36 5.612 -5.628 -1.783 1.00 24.12 O ATOM 610 CB GLU A 36 2.465 -6.530 -2.702 1.00 51.31 C ATOM 611 CG GLU A 36 2.440 -8.056 -2.888 1.00 14.34 C ATOM 612 CD GLU A 36 1.853 -8.815 -1.690 1.00 41.31 C ATOM 613 OE1 GLU A 36 2.515 -8.880 -0.631 1.00 51.24 O ATOM 614 OE2 GLU A 36 0.721 -9.332 -1.838 1.00 43.20 O ATOM 0 H GLU A 36 3.562 -4.082 -2.213 1.00 42.54 H new ATOM 0 HA GLU A 36 2.815 -6.471 -0.585 1.00 1.54 H new ATOM 0 HB2 GLU A 36 1.437 -6.175 -2.631 1.00 51.31 H new ATOM 0 HB3 GLU A 36 2.896 -6.082 -3.597 1.00 51.31 H new ATOM 0 HG2 GLU A 36 1.858 -8.295 -3.778 1.00 14.34 H new ATOM 0 HG3 GLU A 36 3.456 -8.408 -3.067 1.00 14.34 H new ATOM 621 N ARG A 37 4.999 -7.656 -1.044 1.00 51.33 N ATOM 622 CA ARG A 37 6.331 -8.219 -0.982 1.00 44.40 C ATOM 623 C ARG A 37 6.716 -8.651 -2.390 1.00 11.45 C ATOM 624 O ARG A 37 5.886 -9.242 -3.085 1.00 21.44 O ATOM 625 CB ARG A 37 6.268 -9.425 -0.038 1.00 63.33 C ATOM 626 CG ARG A 37 7.667 -9.996 0.226 1.00 75.01 C ATOM 627 CD ARG A 37 7.701 -11.512 0.436 1.00 21.43 C ATOM 628 NE ARG A 37 7.130 -12.240 -0.708 1.00 2.25 N ATOM 629 CZ ARG A 37 7.167 -13.567 -0.912 1.00 53.20 C ATOM 630 NH1 ARG A 37 7.757 -14.396 -0.056 1.00 51.33 N ATOM 631 NH2 ARG A 37 6.579 -14.069 -1.987 1.00 63.04 N ATOM 0 H ARG A 37 4.277 -8.301 -0.724 1.00 51.33 H new ATOM 0 HA ARG A 37 7.071 -7.507 -0.615 1.00 44.40 H new ATOM 0 HB2 ARG A 37 5.809 -9.128 0.905 1.00 63.33 H new ATOM 0 HB3 ARG A 37 5.633 -10.197 -0.472 1.00 63.33 H new ATOM 0 HG2 ARG A 37 8.314 -9.743 -0.614 1.00 75.01 H new ATOM 0 HG3 ARG A 37 8.084 -9.510 1.108 1.00 75.01 H new ATOM 0 HD2 ARG A 37 8.731 -11.833 0.593 1.00 21.43 H new ATOM 0 HD3 ARG A 37 7.147 -11.765 1.340 1.00 21.43 H new ATOM 0 HE ARG A 37 6.658 -11.680 -1.418 1.00 2.25 H new ATOM 0 HH11 ARG A 37 8.200 -14.029 0.786 1.00 51.33 H new ATOM 0 HH12 ARG A 37 7.767 -15.399 -0.242 1.00 51.33 H new ATOM 0 HH21 ARG A 37 6.107 -13.450 -2.646 1.00 63.04 H new ATOM 0 HH22 ARG A 37 6.598 -15.075 -2.156 1.00 63.04 H new ATOM 645 N TYR A 38 7.953 -8.393 -2.810 1.00 62.32 N ATOM 646 CA TYR A 38 8.376 -8.803 -4.138 1.00 3.42 C ATOM 647 C TYR A 38 8.402 -10.330 -4.242 1.00 12.31 C ATOM 648 O TYR A 38 8.776 -11.000 -3.278 1.00 41.10 O ATOM 649 CB TYR A 38 9.761 -8.221 -4.453 1.00 34.42 C ATOM 650 CG TYR A 38 10.239 -8.515 -5.860 1.00 52.21 C ATOM 651 CD1 TYR A 38 9.372 -8.326 -6.955 1.00 20.45 C ATOM 652 CD2 TYR A 38 11.544 -8.997 -6.078 1.00 40.01 C ATOM 653 CE1 TYR A 38 9.788 -8.653 -8.253 1.00 35.23 C ATOM 654 CE2 TYR A 38 11.971 -9.306 -7.381 1.00 62.30 C ATOM 655 CZ TYR A 38 11.092 -9.133 -8.470 1.00 12.15 C ATOM 656 OH TYR A 38 11.479 -9.416 -9.737 1.00 2.33 O ATOM 0 H TYR A 38 8.664 -7.912 -2.259 1.00 62.32 H new ATOM 0 HA TYR A 38 7.662 -8.421 -4.867 1.00 3.42 H new ATOM 0 HB2 TYR A 38 9.734 -7.141 -4.306 1.00 34.42 H new ATOM 0 HB3 TYR A 38 10.484 -8.621 -3.742 1.00 34.42 H new ATOM 0 HD1 TYR A 38 8.382 -7.927 -6.793 1.00 20.45 H new ATOM 0 HD2 TYR A 38 12.217 -9.129 -5.244 1.00 40.01 H new ATOM 0 HE1 TYR A 38 9.109 -8.537 -9.085 1.00 35.23 H new ATOM 0 HE2 TYR A 38 12.972 -9.676 -7.548 1.00 62.30 H new ATOM 0 HH TYR A 38 12.405 -9.737 -9.732 1.00 2.33 H new ATOM 666 N LYS A 39 8.103 -10.904 -5.415 1.00 72.20 N ATOM 667 CA LYS A 39 8.141 -12.361 -5.585 1.00 60.22 C ATOM 668 C LYS A 39 9.560 -12.897 -5.366 1.00 61.52 C ATOM 669 O LYS A 39 9.732 -14.083 -5.080 1.00 62.11 O ATOM 670 CB LYS A 39 7.606 -12.779 -6.971 1.00 40.33 C ATOM 671 CG LYS A 39 8.581 -12.459 -8.123 1.00 34.55 C ATOM 672 CD LYS A 39 8.032 -12.851 -9.501 1.00 32.41 C ATOM 673 CE LYS A 39 9.174 -12.957 -10.524 1.00 22.42 C ATOM 674 NZ LYS A 39 9.864 -11.671 -10.760 1.00 32.55 N ATOM 0 H LYS A 39 7.835 -10.387 -6.252 1.00 72.20 H new ATOM 0 HA LYS A 39 7.488 -12.800 -4.831 1.00 60.22 H new ATOM 0 HB2 LYS A 39 7.400 -13.849 -6.966 1.00 40.33 H new ATOM 0 HB3 LYS A 39 6.658 -12.273 -7.155 1.00 40.33 H new ATOM 0 HG2 LYS A 39 8.804 -11.392 -8.117 1.00 34.55 H new ATOM 0 HG3 LYS A 39 9.522 -12.982 -7.951 1.00 34.55 H new ATOM 0 HD2 LYS A 39 7.507 -13.804 -9.433 1.00 32.41 H new ATOM 0 HD3 LYS A 39 7.305 -12.110 -9.834 1.00 32.41 H new ATOM 0 HE2 LYS A 39 9.899 -13.692 -10.175 1.00 22.42 H new ATOM 0 HE3 LYS A 39 8.774 -13.326 -11.468 1.00 22.42 H new ATOM 0 HZ1 LYS A 39 10.589 -11.796 -11.495 1.00 32.55 H new ATOM 0 HZ2 LYS A 39 9.173 -10.959 -11.072 1.00 32.55 H new ATOM 0 HZ3 LYS A 39 10.316 -11.353 -9.879 1.00 32.55 H new ATOM 688 N GLY A 40 10.577 -12.051 -5.546 1.00 0.11 N ATOM 689 CA GLY A 40 11.986 -12.362 -5.378 1.00 43.24 C ATOM 690 C GLY A 40 12.462 -12.101 -3.953 1.00 34.54 C ATOM 691 O GLY A 40 13.655 -12.220 -3.685 1.00 41.14 O ATOM 0 H GLY A 40 10.425 -11.082 -5.827 1.00 0.11 H new ATOM 0 HA2 GLY A 40 12.159 -13.408 -5.632 1.00 43.24 H new ATOM 0 HA3 GLY A 40 12.575 -11.763 -6.073 1.00 43.24 H new ATOM 695 N GLU A 41 11.570 -11.749 -3.025 1.00 24.54 N ATOM 696 CA GLU A 41 11.908 -11.472 -1.642 1.00 3.01 C ATOM 697 C GLU A 41 11.726 -12.743 -0.800 1.00 23.23 C ATOM 698 O GLU A 41 10.606 -13.214 -0.597 1.00 52.34 O ATOM 699 CB GLU A 41 11.019 -10.333 -1.141 1.00 43.14 C ATOM 700 CG GLU A 41 11.415 -9.851 0.255 1.00 23.41 C ATOM 701 CD GLU A 41 12.932 -9.844 0.445 1.00 15.15 C ATOM 702 OE1 GLU A 41 13.591 -8.879 0.028 1.00 54.33 O ATOM 703 OE2 GLU A 41 13.452 -10.863 0.950 1.00 43.03 O ATOM 0 H GLU A 41 10.575 -11.649 -3.225 1.00 24.54 H new ATOM 0 HA GLU A 41 12.951 -11.166 -1.555 1.00 3.01 H new ATOM 0 HB2 GLU A 41 11.076 -9.498 -1.840 1.00 43.14 H new ATOM 0 HB3 GLU A 41 9.981 -10.666 -1.126 1.00 43.14 H new ATOM 0 HG2 GLU A 41 11.024 -8.847 0.417 1.00 23.41 H new ATOM 0 HG3 GLU A 41 10.958 -10.496 1.005 1.00 23.41 H new ATOM 710 N LYS A 42 12.819 -13.320 -0.295 1.00 52.04 N ATOM 711 CA LYS A 42 12.799 -14.550 0.504 1.00 1.11 C ATOM 712 C LYS A 42 13.381 -14.387 1.905 1.00 12.05 C ATOM 713 O LYS A 42 13.336 -15.336 2.687 1.00 41.32 O ATOM 714 CB LYS A 42 13.551 -15.670 -0.235 1.00 62.22 C ATOM 715 CG LYS A 42 12.864 -16.134 -1.526 1.00 62.42 C ATOM 716 CD LYS A 42 13.145 -15.274 -2.765 1.00 4.13 C ATOM 717 CE LYS A 42 14.224 -15.827 -3.699 1.00 61.11 C ATOM 718 NZ LYS A 42 15.575 -15.750 -3.108 1.00 21.11 N ATOM 0 H LYS A 42 13.756 -12.942 -0.431 1.00 52.04 H new ATOM 0 HA LYS A 42 11.748 -14.808 0.631 1.00 1.11 H new ATOM 0 HB2 LYS A 42 14.556 -15.323 -0.475 1.00 62.22 H new ATOM 0 HB3 LYS A 42 13.660 -16.524 0.434 1.00 62.22 H new ATOM 0 HG2 LYS A 42 13.176 -17.157 -1.736 1.00 62.42 H new ATOM 0 HG3 LYS A 42 11.787 -16.157 -1.357 1.00 62.42 H new ATOM 0 HD2 LYS A 42 12.219 -15.161 -3.329 1.00 4.13 H new ATOM 0 HD3 LYS A 42 13.443 -14.278 -2.438 1.00 4.13 H new ATOM 0 HE2 LYS A 42 13.995 -16.865 -3.940 1.00 61.11 H new ATOM 0 HE3 LYS A 42 14.209 -15.271 -4.637 1.00 61.11 H new ATOM 0 HZ1 LYS A 42 16.270 -16.136 -3.779 1.00 21.11 H new ATOM 0 HZ2 LYS A 42 15.808 -14.758 -2.902 1.00 21.11 H new ATOM 0 HZ3 LYS A 42 15.600 -16.302 -2.227 1.00 21.11 H new ATOM 732 N GLN A 43 13.985 -13.246 2.231 1.00 72.23 N ATOM 733 CA GLN A 43 14.580 -13.001 3.531 1.00 12.32 C ATOM 734 C GLN A 43 13.675 -12.074 4.333 1.00 31.31 C ATOM 735 O GLN A 43 13.502 -12.288 5.533 1.00 55.34 O ATOM 736 CB GLN A 43 16.021 -12.495 3.376 1.00 60.50 C ATOM 737 CG GLN A 43 16.227 -11.243 2.506 1.00 64.22 C ATOM 738 CD GLN A 43 16.734 -11.524 1.085 1.00 1.14 C ATOM 739 OE1 GLN A 43 16.187 -12.490 0.355 1.00 74.24 O flip ATOM 740 NE2 GLN A 43 17.674 -10.881 0.627 1.00 44.34 N flip ATOM 0 H GLN A 43 14.073 -12.460 1.587 1.00 72.23 H new ATOM 0 HA GLN A 43 14.659 -13.928 4.099 1.00 12.32 H new ATOM 0 HB2 GLN A 43 16.417 -12.287 4.370 1.00 60.50 H new ATOM 0 HB3 GLN A 43 16.621 -13.302 2.957 1.00 60.50 H new ATOM 0 HG2 GLN A 43 15.282 -10.704 2.440 1.00 64.22 H new ATOM 0 HG3 GLN A 43 16.936 -10.583 3.006 1.00 64.22 H new ATOM 0 HE21 GLN A 43 18.101 -10.137 1.180 1.00 44.34 H new ATOM 0 HE22 GLN A 43 18.028 -11.090 -0.306 1.00 44.34 H new ATOM 749 N LEU A 44 13.091 -11.052 3.704 1.00 52.10 N ATOM 750 CA LEU A 44 12.192 -10.146 4.402 1.00 40.00 C ATOM 751 C LEU A 44 10.839 -10.861 4.468 1.00 74.41 C ATOM 752 O LEU A 44 10.478 -11.567 3.517 1.00 44.20 O ATOM 753 CB LEU A 44 12.044 -8.795 3.691 1.00 72.40 C ATOM 754 CG LEU A 44 13.358 -8.060 3.391 1.00 15.25 C ATOM 755 CD1 LEU A 44 13.023 -6.711 2.755 1.00 33.35 C ATOM 756 CD2 LEU A 44 14.207 -7.858 4.644 1.00 63.12 C ATOM 0 H LEU A 44 13.227 -10.836 2.716 1.00 52.10 H new ATOM 0 HA LEU A 44 12.589 -9.917 5.391 1.00 40.00 H new ATOM 0 HB2 LEU A 44 11.514 -8.954 2.752 1.00 72.40 H new ATOM 0 HB3 LEU A 44 11.417 -8.148 4.305 1.00 72.40 H new ATOM 0 HG LEU A 44 13.949 -8.670 2.708 1.00 15.25 H new ATOM 0 HD11 LEU A 44 13.945 -6.174 2.535 1.00 33.35 H new ATOM 0 HD12 LEU A 44 12.467 -6.872 1.831 1.00 33.35 H new ATOM 0 HD13 LEU A 44 12.417 -6.124 3.445 1.00 33.35 H new ATOM 0 HD21 LEU A 44 15.126 -7.334 4.380 1.00 63.12 H new ATOM 0 HD22 LEU A 44 13.648 -7.268 5.371 1.00 63.12 H new ATOM 0 HD23 LEU A 44 14.454 -8.828 5.077 1.00 63.12 H new ATOM 768 N PRO A 45 10.063 -10.691 5.544 1.00 75.43 N ATOM 769 CA PRO A 45 8.777 -11.356 5.668 1.00 11.43 C ATOM 770 C PRO A 45 7.729 -10.692 4.775 1.00 12.51 C ATOM 771 O PRO A 45 7.872 -9.523 4.392 1.00 34.32 O ATOM 772 CB PRO A 45 8.419 -11.240 7.153 1.00 62.41 C ATOM 773 CG PRO A 45 9.111 -9.948 7.588 1.00 33.23 C ATOM 774 CD PRO A 45 10.365 -9.892 6.716 1.00 23.15 C ATOM 0 HA PRO A 45 8.814 -12.397 5.346 1.00 11.43 H new ATOM 0 HB2 PRO A 45 7.341 -11.188 7.303 1.00 62.41 H new ATOM 0 HB3 PRO A 45 8.778 -12.098 7.721 1.00 62.41 H new ATOM 0 HG2 PRO A 45 8.473 -9.079 7.427 1.00 33.23 H new ATOM 0 HG3 PRO A 45 9.362 -9.967 8.649 1.00 33.23 H new ATOM 0 HD2 PRO A 45 10.604 -8.865 6.439 1.00 23.15 H new ATOM 0 HD3 PRO A 45 11.230 -10.288 7.248 1.00 23.15 H new ATOM 782 N VAL A 46 6.685 -11.445 4.417 1.00 3.42 N ATOM 783 CA VAL A 46 5.585 -10.939 3.601 1.00 35.43 C ATOM 784 C VAL A 46 4.750 -10.014 4.499 1.00 33.23 C ATOM 785 O VAL A 46 4.806 -10.134 5.729 1.00 12.14 O ATOM 786 CB VAL A 46 4.790 -12.124 2.996 1.00 44.21 C ATOM 787 CG1 VAL A 46 4.029 -12.962 4.032 1.00 13.54 C ATOM 788 CG2 VAL A 46 3.798 -11.677 1.914 1.00 13.23 C ATOM 0 H VAL A 46 6.582 -12.423 4.687 1.00 3.42 H new ATOM 0 HA VAL A 46 5.930 -10.360 2.744 1.00 35.43 H new ATOM 0 HB VAL A 46 5.564 -12.751 2.553 1.00 44.21 H new ATOM 0 HG11 VAL A 46 3.499 -13.770 3.528 1.00 13.54 H new ATOM 0 HG12 VAL A 46 4.734 -13.382 4.749 1.00 13.54 H new ATOM 0 HG13 VAL A 46 3.312 -12.330 4.556 1.00 13.54 H new ATOM 0 HG21 VAL A 46 3.268 -12.546 1.524 1.00 13.23 H new ATOM 0 HG22 VAL A 46 3.081 -10.978 2.344 1.00 13.23 H new ATOM 0 HG23 VAL A 46 4.339 -11.189 1.104 1.00 13.23 H new ATOM 798 N LEU A 47 3.975 -9.089 3.929 1.00 71.44 N ATOM 799 CA LEU A 47 3.149 -8.194 4.732 1.00 35.02 C ATOM 800 C LEU A 47 1.970 -8.973 5.320 1.00 72.34 C ATOM 801 O LEU A 47 1.667 -10.099 4.913 1.00 54.52 O ATOM 802 CB LEU A 47 2.669 -6.983 3.905 1.00 74.02 C ATOM 803 CG LEU A 47 2.970 -5.607 4.532 1.00 31.01 C ATOM 804 CD1 LEU A 47 2.414 -5.454 5.958 1.00 75.33 C ATOM 805 CD2 LEU A 47 4.464 -5.289 4.493 1.00 12.11 C ATOM 0 H LEU A 47 3.904 -8.943 2.922 1.00 71.44 H new ATOM 0 HA LEU A 47 3.750 -7.800 5.551 1.00 35.02 H new ATOM 0 HB2 LEU A 47 3.134 -7.027 2.920 1.00 74.02 H new ATOM 0 HB3 LEU A 47 1.593 -7.069 3.753 1.00 74.02 H new ATOM 0 HG LEU A 47 2.445 -4.878 3.915 1.00 31.01 H new ATOM 0 HD11 LEU A 47 2.661 -4.464 6.340 1.00 75.33 H new ATOM 0 HD12 LEU A 47 1.331 -5.577 5.941 1.00 75.33 H new ATOM 0 HD13 LEU A 47 2.856 -6.213 6.604 1.00 75.33 H new ATOM 0 HD21 LEU A 47 4.640 -4.312 4.943 1.00 12.11 H new ATOM 0 HD22 LEU A 47 5.012 -6.049 5.050 1.00 12.11 H new ATOM 0 HD23 LEU A 47 4.807 -5.279 3.458 1.00 12.11 H new ATOM 817 N ASP A 48 1.308 -8.393 6.315 1.00 40.33 N ATOM 818 CA ASP A 48 0.147 -8.995 6.963 1.00 53.44 C ATOM 819 C ASP A 48 -1.112 -8.703 6.151 1.00 14.23 C ATOM 820 O ASP A 48 -1.991 -9.555 6.070 1.00 13.15 O ATOM 821 CB ASP A 48 -0.029 -8.416 8.359 1.00 24.23 C ATOM 822 CG ASP A 48 -1.149 -9.125 9.120 1.00 33.12 C ATOM 823 OD1 ASP A 48 -1.075 -10.370 9.276 1.00 73.24 O ATOM 824 OD2 ASP A 48 -2.038 -8.424 9.654 1.00 63.44 O ATOM 0 H ASP A 48 1.564 -7.483 6.699 1.00 40.33 H new ATOM 0 HA ASP A 48 0.306 -10.071 7.027 1.00 53.44 H new ATOM 0 HB2 ASP A 48 0.905 -8.509 8.913 1.00 24.23 H new ATOM 0 HB3 ASP A 48 -0.253 -7.352 8.287 1.00 24.23 H new ATOM 829 N LYS A 49 -1.174 -7.522 5.528 1.00 32.03 N ATOM 830 CA LYS A 49 -2.267 -7.020 4.695 1.00 32.22 C ATOM 831 C LYS A 49 -1.641 -6.320 3.481 1.00 64.23 C ATOM 832 O LYS A 49 -0.520 -5.828 3.617 1.00 11.34 O ATOM 833 CB LYS A 49 -3.137 -6.058 5.523 1.00 32.03 C ATOM 834 CG LYS A 49 -4.158 -6.761 6.434 1.00 2.13 C ATOM 835 CD LYS A 49 -4.801 -5.847 7.497 1.00 0.41 C ATOM 836 CE LYS A 49 -5.521 -4.608 6.936 1.00 40.41 C ATOM 837 NZ LYS A 49 -6.318 -3.886 7.951 1.00 23.33 N ATOM 0 H LYS A 49 -0.411 -6.849 5.598 1.00 32.03 H new ATOM 0 HA LYS A 49 -2.912 -7.828 4.349 1.00 32.22 H new ATOM 0 HB2 LYS A 49 -2.487 -5.435 6.137 1.00 32.03 H new ATOM 0 HB3 LYS A 49 -3.670 -5.392 4.845 1.00 32.03 H new ATOM 0 HG2 LYS A 49 -4.947 -7.187 5.814 1.00 2.13 H new ATOM 0 HG3 LYS A 49 -3.665 -7.592 6.938 1.00 2.13 H new ATOM 0 HD2 LYS A 49 -5.515 -6.433 8.075 1.00 0.41 H new ATOM 0 HD3 LYS A 49 -4.026 -5.517 8.188 1.00 0.41 H new ATOM 0 HE2 LYS A 49 -4.782 -3.928 6.513 1.00 40.41 H new ATOM 0 HE3 LYS A 49 -6.176 -4.915 6.121 1.00 40.41 H new ATOM 0 HZ1 LYS A 49 -6.523 -2.924 7.612 1.00 23.33 H new ATOM 0 HZ2 LYS A 49 -7.211 -4.393 8.116 1.00 23.33 H new ATOM 0 HZ3 LYS A 49 -5.781 -3.832 8.840 1.00 23.33 H new ATOM 851 N THR A 50 -2.371 -6.145 2.377 1.00 43.13 N ATOM 852 CA THR A 50 -1.853 -5.536 1.145 1.00 52.32 C ATOM 853 C THR A 50 -2.317 -4.101 0.849 1.00 4.41 C ATOM 854 O THR A 50 -1.567 -3.350 0.225 1.00 4.25 O ATOM 855 CB THR A 50 -2.241 -6.466 -0.025 1.00 55.34 C ATOM 856 OG1 THR A 50 -3.622 -6.805 0.013 1.00 60.31 O ATOM 857 CG2 THR A 50 -1.451 -7.773 -0.005 1.00 64.00 C ATOM 0 H THR A 50 -3.350 -6.425 2.310 1.00 43.13 H new ATOM 0 HA THR A 50 -0.776 -5.437 1.278 1.00 52.32 H new ATOM 0 HB THR A 50 -2.011 -5.907 -0.932 1.00 55.34 H new ATOM 0 HG1 THR A 50 -3.993 -6.769 -0.893 1.00 60.31 H new ATOM 0 HG21 THR A 50 -1.757 -8.396 -0.846 1.00 64.00 H new ATOM 0 HG22 THR A 50 -0.386 -7.556 -0.083 1.00 64.00 H new ATOM 0 HG23 THR A 50 -1.646 -8.302 0.928 1.00 64.00 H new ATOM 865 N LYS A 51 -3.529 -3.690 1.241 1.00 34.32 N ATOM 866 CA LYS A 51 -4.052 -2.332 0.996 1.00 72.10 C ATOM 867 C LYS A 51 -3.580 -1.401 2.123 1.00 13.53 C ATOM 868 O LYS A 51 -3.621 -1.817 3.275 1.00 14.42 O ATOM 869 CB LYS A 51 -5.592 -2.392 0.932 1.00 1.21 C ATOM 870 CG LYS A 51 -6.132 -3.177 -0.278 1.00 32.45 C ATOM 871 CD LYS A 51 -7.657 -3.387 -0.257 1.00 31.11 C ATOM 872 CE LYS A 51 -8.128 -4.319 0.868 1.00 33.03 C ATOM 873 NZ LYS A 51 -9.494 -4.841 0.642 1.00 40.13 N ATOM 0 H LYS A 51 -4.183 -4.292 1.741 1.00 34.32 H new ATOM 0 HA LYS A 51 -3.680 -1.942 0.048 1.00 72.10 H new ATOM 0 HB2 LYS A 51 -5.967 -2.850 1.847 1.00 1.21 H new ATOM 0 HB3 LYS A 51 -5.985 -1.376 0.899 1.00 1.21 H new ATOM 0 HG2 LYS A 51 -5.861 -2.648 -1.192 1.00 32.45 H new ATOM 0 HG3 LYS A 51 -5.642 -4.150 -0.315 1.00 32.45 H new ATOM 0 HD2 LYS A 51 -8.148 -2.420 -0.147 1.00 31.11 H new ATOM 0 HD3 LYS A 51 -7.973 -3.798 -1.216 1.00 31.11 H new ATOM 0 HE2 LYS A 51 -7.434 -5.155 0.956 1.00 33.03 H new ATOM 0 HE3 LYS A 51 -8.101 -3.781 1.815 1.00 33.03 H new ATOM 0 HZ1 LYS A 51 -9.650 -5.677 1.241 1.00 40.13 H new ATOM 0 HZ2 LYS A 51 -10.190 -4.107 0.884 1.00 40.13 H new ATOM 0 HZ3 LYS A 51 -9.603 -5.106 -0.358 1.00 40.13 H new ATOM 887 N PHE A 52 -3.197 -0.145 1.861 1.00 40.51 N ATOM 888 CA PHE A 52 -2.715 0.817 2.864 1.00 41.33 C ATOM 889 C PHE A 52 -3.287 2.221 2.648 1.00 4.23 C ATOM 890 O PHE A 52 -3.639 2.598 1.532 1.00 63.13 O ATOM 891 CB PHE A 52 -1.175 0.921 2.834 1.00 34.03 C ATOM 892 CG PHE A 52 -0.424 -0.285 3.342 1.00 22.34 C ATOM 893 CD1 PHE A 52 -0.377 -1.467 2.588 1.00 41.10 C ATOM 894 CD2 PHE A 52 0.221 -0.228 4.587 1.00 74.34 C ATOM 895 CE1 PHE A 52 0.196 -2.624 3.135 1.00 74.41 C ATOM 896 CE2 PHE A 52 0.787 -1.383 5.146 1.00 43.42 C ATOM 897 CZ PHE A 52 0.741 -2.586 4.427 1.00 13.42 C ATOM 0 H PHE A 52 -3.214 0.243 0.918 1.00 40.51 H new ATOM 0 HA PHE A 52 -3.054 0.439 3.828 1.00 41.33 H new ATOM 0 HB2 PHE A 52 -0.863 1.114 1.808 1.00 34.03 H new ATOM 0 HB3 PHE A 52 -0.877 1.787 3.426 1.00 34.03 H new ATOM 0 HD1 PHE A 52 -0.782 -1.486 1.587 1.00 41.10 H new ATOM 0 HD2 PHE A 52 0.282 0.711 5.118 1.00 74.34 H new ATOM 0 HE1 PHE A 52 0.218 -3.540 2.564 1.00 74.41 H new ATOM 0 HE2 PHE A 52 1.253 -1.346 6.120 1.00 43.42 H new ATOM 0 HZ PHE A 52 1.128 -3.491 4.872 1.00 13.42 H new ATOM 907 N LEU A 53 -3.335 3.010 3.731 1.00 3.12 N ATOM 908 CA LEU A 53 -3.818 4.392 3.768 1.00 33.25 C ATOM 909 C LEU A 53 -2.702 5.220 4.386 1.00 43.44 C ATOM 910 O LEU A 53 -2.493 5.230 5.611 1.00 61.14 O ATOM 911 CB LEU A 53 -5.140 4.533 4.545 1.00 70.20 C ATOM 912 CG LEU A 53 -6.355 4.093 3.716 1.00 4.35 C ATOM 913 CD1 LEU A 53 -7.536 3.809 4.641 1.00 51.22 C ATOM 914 CD2 LEU A 53 -6.769 5.097 2.637 1.00 50.41 C ATOM 0 H LEU A 53 -3.023 2.684 4.646 1.00 3.12 H new ATOM 0 HA LEU A 53 -4.051 4.741 2.762 1.00 33.25 H new ATOM 0 HB2 LEU A 53 -5.089 3.936 5.455 1.00 70.20 H new ATOM 0 HB3 LEU A 53 -5.269 5.571 4.852 1.00 70.20 H new ATOM 0 HG LEU A 53 -6.053 3.188 3.189 1.00 4.35 H new ATOM 0 HD11 LEU A 53 -8.396 3.497 4.048 1.00 51.22 H new ATOM 0 HD12 LEU A 53 -7.269 3.015 5.339 1.00 51.22 H new ATOM 0 HD13 LEU A 53 -7.787 4.712 5.198 1.00 51.22 H new ATOM 0 HD21 LEU A 53 -7.634 4.713 2.096 1.00 50.41 H new ATOM 0 HD22 LEU A 53 -7.026 6.048 3.104 1.00 50.41 H new ATOM 0 HD23 LEU A 53 -5.943 5.246 1.942 1.00 50.41 H new ATOM 926 N VAL A 54 -1.965 5.910 3.519 1.00 14.54 N ATOM 927 CA VAL A 54 -0.836 6.736 3.934 1.00 25.32 C ATOM 928 C VAL A 54 -1.246 8.210 3.907 1.00 25.45 C ATOM 929 O VAL A 54 -1.872 8.624 2.942 1.00 11.53 O ATOM 930 CB VAL A 54 0.351 6.428 3.001 1.00 25.02 C ATOM 931 CG1 VAL A 54 1.568 7.269 3.379 1.00 43.21 C ATOM 932 CG2 VAL A 54 0.735 4.938 3.083 1.00 73.03 C ATOM 0 H VAL A 54 -2.133 5.912 2.513 1.00 14.54 H new ATOM 0 HA VAL A 54 -0.530 6.514 4.956 1.00 25.32 H new ATOM 0 HB VAL A 54 0.041 6.671 1.984 1.00 25.02 H new ATOM 0 HG11 VAL A 54 2.394 7.036 2.708 1.00 43.21 H new ATOM 0 HG12 VAL A 54 1.320 8.327 3.295 1.00 43.21 H new ATOM 0 HG13 VAL A 54 1.860 7.046 4.405 1.00 43.21 H new ATOM 0 HG21 VAL A 54 1.575 4.742 2.417 1.00 73.03 H new ATOM 0 HG22 VAL A 54 1.018 4.691 4.106 1.00 73.03 H new ATOM 0 HG23 VAL A 54 -0.116 4.326 2.784 1.00 73.03 H new ATOM 942 N PRO A 55 -0.982 9.013 4.949 1.00 53.11 N ATOM 943 CA PRO A 55 -1.340 10.421 4.948 1.00 21.43 C ATOM 944 C PRO A 55 -0.507 11.144 3.904 1.00 63.11 C ATOM 945 O PRO A 55 0.712 10.968 3.857 1.00 2.12 O ATOM 946 CB PRO A 55 -1.079 10.929 6.361 1.00 70.40 C ATOM 947 CG PRO A 55 0.000 9.984 6.877 1.00 31.33 C ATOM 948 CD PRO A 55 -0.269 8.673 6.157 1.00 32.32 C ATOM 0 HA PRO A 55 -2.384 10.594 4.688 1.00 21.43 H new ATOM 0 HB2 PRO A 55 -0.740 11.965 6.360 1.00 70.40 H new ATOM 0 HB3 PRO A 55 -1.978 10.888 6.976 1.00 70.40 H new ATOM 0 HG2 PRO A 55 0.998 10.362 6.655 1.00 31.33 H new ATOM 0 HG3 PRO A 55 -0.062 9.863 7.959 1.00 31.33 H new ATOM 0 HD2 PRO A 55 0.663 8.158 5.926 1.00 32.32 H new ATOM 0 HD3 PRO A 55 -0.859 8.001 6.780 1.00 32.32 H new ATOM 956 N ASP A 56 -1.162 11.997 3.117 1.00 12.42 N ATOM 957 CA ASP A 56 -0.498 12.751 2.058 1.00 51.44 C ATOM 958 C ASP A 56 0.586 13.689 2.601 1.00 12.15 C ATOM 959 O ASP A 56 1.547 13.997 1.892 1.00 23.14 O ATOM 960 CB ASP A 56 -1.529 13.470 1.168 1.00 63.23 C ATOM 961 CG ASP A 56 -2.054 14.805 1.695 1.00 74.34 C ATOM 962 OD1 ASP A 56 -1.285 15.786 1.749 1.00 42.21 O ATOM 963 OD2 ASP A 56 -3.275 14.910 1.961 1.00 65.01 O ATOM 0 H ASP A 56 -2.162 12.183 3.196 1.00 12.42 H new ATOM 0 HA ASP A 56 0.030 12.040 1.423 1.00 51.44 H new ATOM 0 HB2 ASP A 56 -1.079 13.640 0.190 1.00 63.23 H new ATOM 0 HB3 ASP A 56 -2.377 12.803 1.017 1.00 63.23 H new ATOM 968 N HIS A 57 0.495 14.067 3.881 1.00 22.41 N ATOM 969 CA HIS A 57 1.457 14.944 4.523 1.00 51.20 C ATOM 970 C HIS A 57 2.780 14.258 4.878 1.00 45.30 C ATOM 971 O HIS A 57 3.767 14.974 5.059 1.00 74.22 O ATOM 972 CB HIS A 57 0.850 15.547 5.808 1.00 25.43 C ATOM 973 CG HIS A 57 0.652 14.587 6.971 1.00 13.51 C ATOM 974 ND1 HIS A 57 1.623 13.914 7.668 1.00 2.54 N flip ATOM 975 CD2 HIS A 57 -0.538 14.333 7.612 1.00 11.34 C flip ATOM 976 CE1 HIS A 57 1.012 13.209 8.708 1.00 44.32 C flip ATOM 977 NE2 HIS A 57 -0.295 13.506 8.644 1.00 21.13 N flip ATOM 0 H HIS A 57 -0.259 13.765 4.499 1.00 22.41 H new ATOM 0 HA HIS A 57 1.683 15.721 3.793 1.00 51.20 H new ATOM 0 HB2 HIS A 57 1.493 16.361 6.141 1.00 25.43 H new ATOM 0 HB3 HIS A 57 -0.116 15.986 5.558 1.00 25.43 H new ATOM 0 HD2 HIS A 57 -1.503 14.730 7.334 1.00 11.34 H new ATOM 0 HE1 HIS A 57 1.495 12.556 9.420 1.00 44.32 H new ATOM 0 HE2 HIS A 57 -1.004 13.154 9.287 1.00 21.13 H new ATOM 985 N VAL A 58 2.861 12.922 4.965 1.00 52.51 N ATOM 986 CA VAL A 58 4.101 12.258 5.367 1.00 43.30 C ATOM 987 C VAL A 58 4.932 11.733 4.198 1.00 43.43 C ATOM 988 O VAL A 58 4.419 11.176 3.227 1.00 3.42 O ATOM 989 CB VAL A 58 3.791 11.220 6.475 1.00 31.25 C ATOM 990 CG1 VAL A 58 3.670 9.765 5.995 1.00 70.03 C ATOM 991 CG2 VAL A 58 4.825 11.325 7.603 1.00 51.41 C ATOM 0 H VAL A 58 2.088 12.288 4.763 1.00 52.51 H new ATOM 0 HA VAL A 58 4.770 13.002 5.799 1.00 43.30 H new ATOM 0 HB VAL A 58 2.797 11.480 6.840 1.00 31.25 H new ATOM 0 HG11 VAL A 58 3.452 9.118 6.845 1.00 70.03 H new ATOM 0 HG12 VAL A 58 2.864 9.688 5.265 1.00 70.03 H new ATOM 0 HG13 VAL A 58 4.608 9.455 5.534 1.00 70.03 H new ATOM 0 HG21 VAL A 58 4.597 10.591 8.376 1.00 51.41 H new ATOM 0 HG22 VAL A 58 5.821 11.133 7.203 1.00 51.41 H new ATOM 0 HG23 VAL A 58 4.794 12.326 8.033 1.00 51.41 H new ATOM 1001 N ASN A 59 6.251 11.878 4.320 1.00 23.04 N ATOM 1002 CA ASN A 59 7.225 11.435 3.330 1.00 12.42 C ATOM 1003 C ASN A 59 7.452 9.922 3.406 1.00 71.04 C ATOM 1004 O ASN A 59 7.157 9.224 4.396 1.00 23.25 O ATOM 1005 CB ASN A 59 8.549 12.212 3.452 1.00 13.34 C ATOM 1006 CG ASN A 59 8.952 12.511 4.886 1.00 53.52 C ATOM 1007 OD1 ASN A 59 8.504 13.495 5.466 1.00 62.10 O ATOM 1008 ND2 ASN A 59 9.729 11.655 5.519 1.00 11.52 N ATOM 0 H ASN A 59 6.681 12.319 5.133 1.00 23.04 H new ATOM 0 HA ASN A 59 6.811 11.653 2.346 1.00 12.42 H new ATOM 0 HB2 ASN A 59 9.342 11.638 2.973 1.00 13.34 H new ATOM 0 HB3 ASN A 59 8.461 13.151 2.905 1.00 13.34 H new ATOM 0 HD21 ASN A 59 9.963 11.808 6.500 1.00 11.52 H new ATOM 0 HD22 ASN A 59 10.096 10.840 5.028 1.00 11.52 H new ATOM 1015 N MET A 60 8.041 9.406 2.331 1.00 73.24 N ATOM 1016 CA MET A 60 8.322 7.988 2.184 1.00 11.55 C ATOM 1017 C MET A 60 9.206 7.416 3.279 1.00 44.10 C ATOM 1018 O MET A 60 8.970 6.290 3.704 1.00 23.33 O ATOM 1019 CB MET A 60 8.916 7.722 0.789 1.00 52.13 C ATOM 1020 CG MET A 60 7.877 7.782 -0.336 1.00 42.30 C ATOM 1021 SD MET A 60 7.012 6.215 -0.620 1.00 4.44 S ATOM 1022 CE MET A 60 8.275 5.323 -1.568 1.00 62.23 C ATOM 0 H MET A 60 8.338 9.968 1.533 1.00 73.24 H new ATOM 0 HA MET A 60 7.372 7.464 2.287 1.00 11.55 H new ATOM 0 HB2 MET A 60 9.699 8.454 0.590 1.00 52.13 H new ATOM 0 HB3 MET A 60 9.389 6.740 0.785 1.00 52.13 H new ATOM 0 HG2 MET A 60 7.144 8.553 -0.099 1.00 42.30 H new ATOM 0 HG3 MET A 60 8.372 8.085 -1.259 1.00 42.30 H new ATOM 0 HE1 MET A 60 7.794 4.590 -2.215 1.00 62.23 H new ATOM 0 HE2 MET A 60 8.840 6.029 -2.176 1.00 62.23 H new ATOM 0 HE3 MET A 60 8.952 4.813 -0.883 1.00 62.23 H new ATOM 1032 N SER A 61 10.155 8.186 3.807 1.00 33.34 N ATOM 1033 CA SER A 61 11.050 7.735 4.864 1.00 51.14 C ATOM 1034 C SER A 61 10.229 7.269 6.068 1.00 41.04 C ATOM 1035 O SER A 61 10.536 6.247 6.682 1.00 10.43 O ATOM 1036 CB SER A 61 12.026 8.863 5.227 1.00 25.42 C ATOM 1037 OG SER A 61 13.093 8.385 6.020 1.00 65.43 O ATOM 0 H SER A 61 10.324 9.147 3.509 1.00 33.34 H new ATOM 0 HA SER A 61 11.642 6.886 4.522 1.00 51.14 H new ATOM 0 HB2 SER A 61 12.421 9.312 4.316 1.00 25.42 H new ATOM 0 HB3 SER A 61 11.494 9.648 5.765 1.00 25.42 H new ATOM 0 HG SER A 61 13.699 9.125 6.234 1.00 65.43 H new ATOM 1043 N GLU A 62 9.211 8.051 6.418 1.00 24.35 N ATOM 1044 CA GLU A 62 8.319 7.796 7.529 1.00 4.23 C ATOM 1045 C GLU A 62 7.432 6.608 7.225 1.00 74.21 C ATOM 1046 O GLU A 62 7.245 5.774 8.112 1.00 30.12 O ATOM 1047 CB GLU A 62 7.529 9.062 7.829 1.00 12.24 C ATOM 1048 CG GLU A 62 8.485 10.131 8.350 1.00 23.01 C ATOM 1049 CD GLU A 62 8.998 9.789 9.761 1.00 30.05 C ATOM 1050 OE1 GLU A 62 8.288 10.093 10.748 1.00 72.23 O ATOM 1051 OE2 GLU A 62 10.111 9.219 9.909 1.00 1.31 O ATOM 0 H GLU A 62 8.983 8.908 5.914 1.00 24.35 H new ATOM 0 HA GLU A 62 8.886 7.537 8.423 1.00 4.23 H new ATOM 0 HB2 GLU A 62 7.025 9.414 6.929 1.00 12.24 H new ATOM 0 HB3 GLU A 62 6.755 8.857 8.568 1.00 12.24 H new ATOM 0 HG2 GLU A 62 9.330 10.229 7.668 1.00 23.01 H new ATOM 0 HG3 GLU A 62 7.978 11.096 8.370 1.00 23.01 H new ATOM 1058 N LEU A 63 6.890 6.515 6.000 1.00 10.32 N ATOM 1059 CA LEU A 63 6.061 5.348 5.654 1.00 1.25 C ATOM 1060 C LEU A 63 6.911 4.087 5.876 1.00 71.03 C ATOM 1061 O LEU A 63 6.519 3.203 6.643 1.00 55.12 O ATOM 1062 CB LEU A 63 5.502 5.494 4.234 1.00 74.12 C ATOM 1063 CG LEU A 63 4.863 4.257 3.563 1.00 34.03 C ATOM 1064 CD1 LEU A 63 5.826 3.599 2.577 1.00 62.42 C ATOM 1065 CD2 LEU A 63 4.258 3.179 4.473 1.00 24.31 C ATOM 0 H LEU A 63 7.004 7.205 5.257 1.00 10.32 H new ATOM 0 HA LEU A 63 5.182 5.269 6.294 1.00 1.25 H new ATOM 0 HB2 LEU A 63 4.753 6.285 4.252 1.00 74.12 H new ATOM 0 HB3 LEU A 63 6.313 5.838 3.592 1.00 74.12 H new ATOM 0 HG LEU A 63 4.003 4.697 3.058 1.00 34.03 H new ATOM 0 HD11 LEU A 63 5.346 2.732 2.123 1.00 62.42 H new ATOM 0 HD12 LEU A 63 6.095 4.314 1.799 1.00 62.42 H new ATOM 0 HD13 LEU A 63 6.725 3.281 3.104 1.00 62.42 H new ATOM 0 HD21 LEU A 63 3.848 2.375 3.862 1.00 24.31 H new ATOM 0 HD22 LEU A 63 5.032 2.779 5.127 1.00 24.31 H new ATOM 0 HD23 LEU A 63 3.463 3.617 5.077 1.00 24.31 H new ATOM 1077 N ILE A 64 8.104 4.069 5.280 1.00 70.12 N ATOM 1078 CA ILE A 64 9.114 3.010 5.362 1.00 15.45 C ATOM 1079 C ILE A 64 9.332 2.675 6.846 1.00 14.41 C ATOM 1080 O ILE A 64 9.247 1.516 7.252 1.00 20.23 O ATOM 1081 CB ILE A 64 10.389 3.495 4.613 1.00 10.04 C ATOM 1082 CG1 ILE A 64 10.176 3.345 3.089 1.00 14.11 C ATOM 1083 CG2 ILE A 64 11.698 2.802 5.029 1.00 55.44 C ATOM 1084 CD1 ILE A 64 11.216 4.076 2.230 1.00 11.32 C ATOM 0 H ILE A 64 8.411 4.842 4.690 1.00 70.12 H new ATOM 0 HA ILE A 64 8.805 2.084 4.876 1.00 15.45 H new ATOM 0 HB ILE A 64 10.518 4.539 4.897 1.00 10.04 H new ATOM 0 HG12 ILE A 64 10.192 2.285 2.835 1.00 14.11 H new ATOM 0 HG13 ILE A 64 9.184 3.719 2.834 1.00 14.11 H new ATOM 0 HG21 ILE A 64 12.526 3.210 4.450 1.00 55.44 H new ATOM 0 HG22 ILE A 64 11.879 2.973 6.090 1.00 55.44 H new ATOM 0 HG23 ILE A 64 11.618 1.731 4.842 1.00 55.44 H new ATOM 0 HD11 ILE A 64 10.992 3.918 1.175 1.00 11.32 H new ATOM 0 HD12 ILE A 64 11.186 5.143 2.452 1.00 11.32 H new ATOM 0 HD13 ILE A 64 12.210 3.687 2.452 1.00 11.32 H new ATOM 1096 N LYS A 65 9.567 3.688 7.685 1.00 14.51 N ATOM 1097 CA LYS A 65 9.780 3.530 9.119 1.00 4.35 C ATOM 1098 C LYS A 65 8.569 2.886 9.806 1.00 20.02 C ATOM 1099 O LYS A 65 8.765 2.040 10.681 1.00 15.53 O ATOM 1100 CB LYS A 65 10.198 4.892 9.706 1.00 13.51 C ATOM 1101 CG LYS A 65 9.922 5.066 11.205 1.00 25.45 C ATOM 1102 CD LYS A 65 8.622 5.848 11.450 1.00 25.34 C ATOM 1103 CE LYS A 65 8.201 5.817 12.919 1.00 25.43 C ATOM 1104 NZ LYS A 65 9.271 6.278 13.825 1.00 5.45 N ATOM 0 H LYS A 65 9.615 4.659 7.376 1.00 14.51 H new ATOM 0 HA LYS A 65 10.593 2.829 9.308 1.00 4.35 H new ATOM 0 HB2 LYS A 65 11.264 5.035 9.530 1.00 13.51 H new ATOM 0 HB3 LYS A 65 9.677 5.680 9.162 1.00 13.51 H new ATOM 0 HG2 LYS A 65 9.854 4.087 11.680 1.00 25.45 H new ATOM 0 HG3 LYS A 65 10.756 5.590 11.672 1.00 25.45 H new ATOM 0 HD2 LYS A 65 8.756 6.882 11.134 1.00 25.34 H new ATOM 0 HD3 LYS A 65 7.825 5.428 10.836 1.00 25.34 H new ATOM 0 HE2 LYS A 65 7.320 6.444 13.054 1.00 25.43 H new ATOM 0 HE3 LYS A 65 7.913 4.801 13.190 1.00 25.43 H new ATOM 0 HZ1 LYS A 65 8.890 6.383 14.787 1.00 5.45 H new ATOM 0 HZ2 LYS A 65 10.043 5.582 13.833 1.00 5.45 H new ATOM 0 HZ3 LYS A 65 9.635 7.195 13.495 1.00 5.45 H new ATOM 1118 N ILE A 66 7.332 3.276 9.488 1.00 34.43 N ATOM 1119 CA ILE A 66 6.143 2.682 10.105 1.00 62.40 C ATOM 1120 C ILE A 66 6.100 1.199 9.719 1.00 33.43 C ATOM 1121 O ILE A 66 5.800 0.359 10.571 1.00 20.42 O ATOM 1122 CB ILE A 66 4.871 3.505 9.762 1.00 60.40 C ATOM 1123 CG1 ILE A 66 4.663 4.644 10.798 1.00 12.13 C ATOM 1124 CG2 ILE A 66 3.588 2.651 9.706 1.00 53.31 C ATOM 1125 CD1 ILE A 66 4.739 6.064 10.222 1.00 52.22 C ATOM 0 H ILE A 66 7.127 4.004 8.804 1.00 34.43 H new ATOM 0 HA ILE A 66 6.186 2.721 11.193 1.00 62.40 H new ATOM 0 HB ILE A 66 5.043 3.915 8.767 1.00 60.40 H new ATOM 0 HG12 ILE A 66 3.690 4.511 11.271 1.00 12.13 H new ATOM 0 HG13 ILE A 66 5.415 4.545 11.581 1.00 12.13 H new ATOM 0 HG21 ILE A 66 2.738 3.288 9.462 1.00 53.31 H new ATOM 0 HG22 ILE A 66 3.696 1.881 8.942 1.00 53.31 H new ATOM 0 HG23 ILE A 66 3.422 2.180 10.675 1.00 53.31 H new ATOM 0 HD11 ILE A 66 4.582 6.789 11.020 1.00 52.22 H new ATOM 0 HD12 ILE A 66 5.720 6.223 9.775 1.00 52.22 H new ATOM 0 HD13 ILE A 66 3.969 6.190 9.461 1.00 52.22 H new ATOM 1137 N ILE A 67 6.404 0.859 8.463 1.00 54.41 N ATOM 1138 CA ILE A 67 6.421 -0.529 8.023 1.00 74.31 C ATOM 1139 C ILE A 67 7.500 -1.249 8.844 1.00 51.33 C ATOM 1140 O ILE A 67 7.191 -2.286 9.418 1.00 33.43 O ATOM 1141 CB ILE A 67 6.535 -0.611 6.480 1.00 42.52 C ATOM 1142 CG1 ILE A 67 5.189 -0.986 5.807 1.00 32.03 C ATOM 1143 CG2 ILE A 67 7.618 -1.576 5.987 1.00 32.33 C ATOM 1144 CD1 ILE A 67 4.024 -0.078 6.222 1.00 1.55 C ATOM 0 H ILE A 67 6.642 1.532 7.735 1.00 54.41 H new ATOM 0 HA ILE A 67 5.487 -1.056 8.217 1.00 74.31 H new ATOM 0 HB ILE A 67 6.824 0.398 6.184 1.00 42.52 H new ATOM 0 HG12 ILE A 67 5.308 -0.940 4.724 1.00 32.03 H new ATOM 0 HG13 ILE A 67 4.942 -2.018 6.057 1.00 32.03 H new ATOM 0 HG21 ILE A 67 7.635 -1.577 4.897 1.00 32.33 H new ATOM 0 HG22 ILE A 67 8.589 -1.257 6.365 1.00 32.33 H new ATOM 0 HG23 ILE A 67 7.401 -2.581 6.348 1.00 32.33 H new ATOM 0 HD11 ILE A 67 3.114 -0.398 5.713 1.00 1.55 H new ATOM 0 HD12 ILE A 67 3.879 -0.143 7.300 1.00 1.55 H new ATOM 0 HD13 ILE A 67 4.250 0.952 5.947 1.00 1.55 H new ATOM 1156 N ARG A 68 8.708 -0.689 9.007 1.00 35.25 N ATOM 1157 CA ARG A 68 9.767 -1.317 9.800 1.00 62.21 C ATOM 1158 C ARG A 68 9.287 -1.603 11.214 1.00 0.23 C ATOM 1159 O ARG A 68 9.560 -2.677 11.738 1.00 13.35 O ATOM 1160 CB ARG A 68 10.993 -0.408 9.866 1.00 73.14 C ATOM 1161 CG ARG A 68 11.790 -0.546 8.580 1.00 2.35 C ATOM 1162 CD ARG A 68 12.914 0.478 8.537 1.00 71.10 C ATOM 1163 NE ARG A 68 13.972 0.023 7.638 1.00 52.02 N ATOM 1164 CZ ARG A 68 15.021 0.761 7.254 1.00 2.02 C ATOM 1165 NH1 ARG A 68 15.051 2.073 7.462 1.00 75.31 N ATOM 1166 NH2 ARG A 68 16.049 0.164 6.670 1.00 52.21 N ATOM 0 H ARG A 68 8.974 0.205 8.595 1.00 35.25 H new ATOM 0 HA ARG A 68 10.033 -2.256 9.315 1.00 62.21 H new ATOM 0 HB2 ARG A 68 10.685 0.628 10.007 1.00 73.14 H new ATOM 0 HB3 ARG A 68 11.613 -0.675 10.722 1.00 73.14 H new ATOM 0 HG2 ARG A 68 12.204 -1.552 8.508 1.00 2.35 H new ATOM 0 HG3 ARG A 68 11.133 -0.409 7.721 1.00 2.35 H new ATOM 0 HD2 ARG A 68 12.528 1.440 8.200 1.00 71.10 H new ATOM 0 HD3 ARG A 68 13.317 0.630 9.538 1.00 71.10 H new ATOM 0 HE ARG A 68 13.907 -0.928 7.276 1.00 52.02 H new ATOM 0 HH11 ARG A 68 14.266 2.535 7.921 1.00 75.31 H new ATOM 0 HH12 ARG A 68 15.859 2.619 7.162 1.00 75.31 H new ATOM 0 HH21 ARG A 68 16.034 -0.845 6.518 1.00 52.21 H new ATOM 0 HH22 ARG A 68 16.855 0.713 6.372 1.00 52.21 H new ATOM 1180 N ARG A 69 8.539 -0.666 11.807 1.00 33.23 N ATOM 1181 CA ARG A 69 8.008 -0.779 13.160 1.00 60.32 C ATOM 1182 C ARG A 69 7.126 -2.018 13.279 1.00 72.21 C ATOM 1183 O ARG A 69 7.398 -2.870 14.124 1.00 51.33 O ATOM 1184 CB ARG A 69 7.266 0.523 13.529 1.00 61.30 C ATOM 1185 CG ARG A 69 7.085 0.699 15.049 1.00 31.05 C ATOM 1186 CD ARG A 69 7.344 2.144 15.524 1.00 74.43 C ATOM 1187 NE ARG A 69 6.221 3.080 15.290 1.00 4.25 N ATOM 1188 CZ ARG A 69 5.214 3.339 16.145 1.00 53.52 C ATOM 1189 NH1 ARG A 69 5.071 2.675 17.282 1.00 13.55 N ATOM 1190 NH2 ARG A 69 4.305 4.269 15.869 1.00 33.05 N ATOM 0 H ARG A 69 8.284 0.208 11.346 1.00 33.23 H new ATOM 0 HA ARG A 69 8.821 -0.906 13.875 1.00 60.32 H new ATOM 0 HB2 ARG A 69 7.818 1.375 13.133 1.00 61.30 H new ATOM 0 HB3 ARG A 69 6.288 0.526 13.049 1.00 61.30 H new ATOM 0 HG2 ARG A 69 6.071 0.408 15.325 1.00 31.05 H new ATOM 0 HG3 ARG A 69 7.763 0.024 15.571 1.00 31.05 H new ATOM 0 HD2 ARG A 69 7.570 2.127 16.590 1.00 74.43 H new ATOM 0 HD3 ARG A 69 8.230 2.526 15.017 1.00 74.43 H new ATOM 0 HE ARG A 69 6.209 3.575 14.398 1.00 4.25 H new ATOM 0 HH11 ARG A 69 5.735 1.943 17.532 1.00 13.55 H new ATOM 0 HH12 ARG A 69 4.297 2.896 17.908 1.00 13.55 H new ATOM 0 HH21 ARG A 69 4.365 4.798 14.999 1.00 33.05 H new ATOM 0 HH22 ARG A 69 3.548 4.453 16.527 1.00 33.05 H new ATOM 1204 N ARG A 70 6.092 -2.159 12.441 1.00 51.13 N ATOM 1205 CA ARG A 70 5.229 -3.344 12.533 1.00 43.13 C ATOM 1206 C ARG A 70 5.972 -4.590 12.083 1.00 53.24 C ATOM 1207 O ARG A 70 6.010 -5.558 12.836 1.00 4.25 O ATOM 1208 CB ARG A 70 3.874 -3.227 11.790 1.00 44.33 C ATOM 1209 CG ARG A 70 3.881 -2.311 10.558 1.00 12.43 C ATOM 1210 CD ARG A 70 2.762 -2.500 9.510 1.00 13.34 C ATOM 1211 NE ARG A 70 1.554 -3.190 9.992 1.00 60.02 N ATOM 1212 CZ ARG A 70 0.429 -2.681 10.515 1.00 63.24 C ATOM 1213 NH1 ARG A 70 0.270 -1.383 10.740 1.00 4.11 N ATOM 1214 NH2 ARG A 70 -0.591 -3.472 10.810 1.00 15.22 N ATOM 0 H ARG A 70 5.837 -1.491 11.713 1.00 51.13 H new ATOM 0 HA ARG A 70 4.974 -3.422 13.590 1.00 43.13 H new ATOM 0 HB2 ARG A 70 3.561 -4.224 11.480 1.00 44.33 H new ATOM 0 HB3 ARG A 70 3.124 -2.861 12.491 1.00 44.33 H new ATOM 0 HG2 ARG A 70 3.840 -1.280 10.908 1.00 12.43 H new ATOM 0 HG3 ARG A 70 4.838 -2.439 10.052 1.00 12.43 H new ATOM 0 HD2 ARG A 70 2.473 -1.520 9.132 1.00 13.34 H new ATOM 0 HD3 ARG A 70 3.168 -3.060 8.667 1.00 13.34 H new ATOM 0 HE ARG A 70 1.576 -4.207 9.917 1.00 60.02 H new ATOM 0 HH11 ARG A 70 1.020 -0.730 10.513 1.00 4.11 H new ATOM 0 HH12 ARG A 70 -0.603 -1.038 11.140 1.00 4.11 H new ATOM 0 HH21 ARG A 70 -0.524 -4.475 10.640 1.00 15.22 H new ATOM 0 HH22 ARG A 70 -1.444 -3.078 11.208 1.00 15.22 H new ATOM 1228 N LEU A 71 6.571 -4.575 10.891 1.00 42.34 N ATOM 1229 CA LEU A 71 7.277 -5.726 10.339 1.00 20.03 C ATOM 1230 C LEU A 71 8.485 -6.177 11.156 1.00 31.24 C ATOM 1231 O LEU A 71 8.988 -7.270 10.901 1.00 55.13 O ATOM 1232 CB LEU A 71 7.671 -5.526 8.860 1.00 61.40 C ATOM 1233 CG LEU A 71 6.540 -5.735 7.835 1.00 71.40 C ATOM 1234 CD1 LEU A 71 5.920 -7.138 7.919 1.00 61.00 C ATOM 1235 CD2 LEU A 71 5.427 -4.691 7.960 1.00 4.54 C ATOM 0 H LEU A 71 6.578 -3.758 10.280 1.00 42.34 H new ATOM 0 HA LEU A 71 6.548 -6.534 10.397 1.00 20.03 H new ATOM 0 HB2 LEU A 71 8.063 -4.516 8.741 1.00 61.40 H new ATOM 0 HB3 LEU A 71 8.483 -6.213 8.623 1.00 61.40 H new ATOM 0 HG LEU A 71 7.020 -5.619 6.863 1.00 71.40 H new ATOM 0 HD11 LEU A 71 5.129 -7.231 7.175 1.00 61.00 H new ATOM 0 HD12 LEU A 71 6.688 -7.887 7.727 1.00 61.00 H new ATOM 0 HD13 LEU A 71 5.503 -7.292 8.914 1.00 61.00 H new ATOM 0 HD21 LEU A 71 4.658 -4.888 7.213 1.00 4.54 H new ATOM 0 HD22 LEU A 71 4.988 -4.745 8.956 1.00 4.54 H new ATOM 0 HD23 LEU A 71 5.842 -3.696 7.800 1.00 4.54 H new ATOM 1247 N GLN A 72 8.932 -5.386 12.135 1.00 72.02 N ATOM 1248 CA GLN A 72 10.061 -5.681 13.004 1.00 0.53 C ATOM 1249 C GLN A 72 11.330 -5.997 12.199 1.00 41.01 C ATOM 1250 O GLN A 72 12.131 -6.849 12.585 1.00 13.01 O ATOM 1251 CB GLN A 72 9.617 -6.724 14.041 1.00 63.01 C ATOM 1252 CG GLN A 72 8.822 -5.992 15.131 1.00 20.13 C ATOM 1253 CD GLN A 72 8.108 -6.963 16.044 1.00 60.02 C ATOM 1254 OE1 GLN A 72 8.450 -7.106 17.220 1.00 51.13 O ATOM 1255 NE2 GLN A 72 7.084 -7.613 15.530 1.00 3.34 N ATOM 0 H GLN A 72 8.496 -4.489 12.348 1.00 72.02 H new ATOM 0 HA GLN A 72 10.367 -4.806 13.577 1.00 0.53 H new ATOM 0 HB2 GLN A 72 9.003 -7.493 13.571 1.00 63.01 H new ATOM 0 HB3 GLN A 72 10.483 -7.227 14.472 1.00 63.01 H new ATOM 0 HG2 GLN A 72 9.497 -5.368 15.718 1.00 20.13 H new ATOM 0 HG3 GLN A 72 8.095 -5.326 14.667 1.00 20.13 H new ATOM 0 HE21 GLN A 72 6.828 -7.471 14.553 1.00 3.34 H new ATOM 0 HE22 GLN A 72 6.547 -8.258 16.109 1.00 3.34 H new ATOM 1264 N LEU A 73 11.501 -5.302 11.068 1.00 0.35 N ATOM 1265 CA LEU A 73 12.634 -5.455 10.160 1.00 35.14 C ATOM 1266 C LEU A 73 13.938 -5.274 10.936 1.00 40.02 C ATOM 1267 O LEU A 73 14.016 -4.399 11.805 1.00 13.25 O ATOM 1268 CB LEU A 73 12.531 -4.427 9.018 1.00 23.51 C ATOM 1269 CG LEU A 73 12.879 -4.960 7.616 1.00 24.55 C ATOM 1270 CD1 LEU A 73 14.284 -5.558 7.509 1.00 61.13 C ATOM 1271 CD2 LEU A 73 11.824 -5.965 7.131 1.00 31.42 C ATOM 0 H LEU A 73 10.833 -4.598 10.754 1.00 0.35 H new ATOM 0 HA LEU A 73 12.622 -6.454 9.725 1.00 35.14 H new ATOM 0 HB2 LEU A 73 11.515 -4.034 8.997 1.00 23.51 H new ATOM 0 HB3 LEU A 73 13.192 -3.590 9.244 1.00 23.51 H new ATOM 0 HG LEU A 73 12.873 -4.088 6.962 1.00 24.55 H new ATOM 0 HD11 LEU A 73 14.453 -5.911 6.492 1.00 61.13 H new ATOM 0 HD12 LEU A 73 15.023 -4.796 7.756 1.00 61.13 H new ATOM 0 HD13 LEU A 73 14.378 -6.393 8.203 1.00 61.13 H new ATOM 0 HD21 LEU A 73 12.094 -6.326 6.139 1.00 31.42 H new ATOM 0 HD22 LEU A 73 11.778 -6.806 7.823 1.00 31.42 H new ATOM 0 HD23 LEU A 73 10.850 -5.477 7.087 1.00 31.42 H new ATOM 1283 N ASN A 74 14.961 -6.061 10.591 1.00 1.43 N ATOM 1284 CA ASN A 74 16.257 -6.025 11.240 1.00 2.44 C ATOM 1285 C ASN A 74 16.874 -4.633 11.206 1.00 60.34 C ATOM 1286 O ASN A 74 16.545 -3.804 10.353 1.00 64.52 O ATOM 1287 CB ASN A 74 17.234 -7.024 10.589 1.00 51.30 C ATOM 1288 CG ASN A 74 18.022 -7.787 11.627 1.00 64.13 C ATOM 1289 OD1 ASN A 74 18.233 -7.280 12.720 1.00 32.13 O ATOM 1290 ND2 ASN A 74 18.548 -8.951 11.290 1.00 34.31 N ATOM 0 H ASN A 74 14.902 -6.749 9.840 1.00 1.43 H new ATOM 0 HA ASN A 74 16.088 -6.306 12.280 1.00 2.44 H new ATOM 0 HB2 ASN A 74 16.678 -7.724 9.966 1.00 51.30 H new ATOM 0 HB3 ASN A 74 17.919 -6.488 9.932 1.00 51.30 H new ATOM 0 HD21 ASN A 74 19.147 -9.450 11.948 1.00 34.31 H new ATOM 0 HD22 ASN A 74 18.355 -9.351 10.372 1.00 34.31 H new ATOM 1297 N ALA A 75 17.812 -4.397 12.116 1.00 22.45 N ATOM 1298 CA ALA A 75 18.511 -3.127 12.227 1.00 55.03 C ATOM 1299 C ALA A 75 19.828 -3.171 11.459 1.00 74.50 C ATOM 1300 O ALA A 75 20.369 -2.123 11.120 1.00 53.30 O ATOM 1301 CB ALA A 75 18.754 -2.806 13.699 1.00 33.44 C ATOM 0 H ALA A 75 18.110 -5.090 12.803 1.00 22.45 H new ATOM 0 HA ALA A 75 17.895 -2.341 11.790 1.00 55.03 H new ATOM 0 HB1 ALA A 75 19.278 -1.854 13.782 1.00 33.44 H new ATOM 0 HB2 ALA A 75 17.799 -2.741 14.220 1.00 33.44 H new ATOM 0 HB3 ALA A 75 19.359 -3.594 14.148 1.00 33.44 H new ATOM 1307 N ASN A 76 20.372 -4.366 11.214 1.00 41.34 N ATOM 1308 CA ASN A 76 21.630 -4.525 10.468 1.00 0.43 C ATOM 1309 C ASN A 76 21.330 -4.741 8.984 1.00 2.33 C ATOM 1310 O ASN A 76 22.206 -4.513 8.148 1.00 34.21 O ATOM 1311 CB ASN A 76 22.472 -5.686 11.015 1.00 34.31 C ATOM 1312 CG ASN A 76 21.672 -6.971 11.027 1.00 21.45 C ATOM 1313 OD1 ASN A 76 21.018 -7.266 12.131 1.00 53.33 O flip ATOM 1314 ND2 ASN A 76 21.535 -7.666 10.032 1.00 44.12 N flip ATOM 0 H ASN A 76 19.959 -5.246 11.523 1.00 41.34 H new ATOM 0 HA ASN A 76 22.212 -3.611 10.592 1.00 0.43 H new ATOM 0 HB2 ASN A 76 23.365 -5.814 10.403 1.00 34.31 H new ATOM 0 HB3 ASN A 76 22.809 -5.453 12.025 1.00 34.31 H new ATOM 0 HD21 ASN A 76 22.042 -7.438 9.177 1.00 44.12 H new ATOM 0 HD22 ASN A 76 20.914 -8.475 10.056 1.00 44.12 H new ATOM 1321 N GLN A 77 20.099 -5.142 8.641 1.00 53.33 N ATOM 1322 CA GLN A 77 19.704 -5.344 7.254 1.00 54.12 C ATOM 1323 C GLN A 77 18.858 -4.131 6.861 1.00 34.53 C ATOM 1324 O GLN A 77 18.257 -3.480 7.719 1.00 13.34 O ATOM 1325 CB GLN A 77 19.037 -6.717 7.045 1.00 20.31 C ATOM 1326 CG GLN A 77 17.503 -6.706 7.035 1.00 15.41 C ATOM 1327 CD GLN A 77 16.924 -8.090 6.765 1.00 23.15 C ATOM 1328 OE1 GLN A 77 16.182 -8.632 7.578 1.00 15.02 O ATOM 1329 NE2 GLN A 77 17.246 -8.677 5.623 1.00 51.34 N ATOM 0 H GLN A 77 19.359 -5.332 9.316 1.00 53.33 H new ATOM 0 HA GLN A 77 20.561 -5.392 6.582 1.00 54.12 H new ATOM 0 HB2 GLN A 77 19.387 -7.132 6.100 1.00 20.31 H new ATOM 0 HB3 GLN A 77 19.374 -7.390 7.833 1.00 20.31 H new ATOM 0 HG2 GLN A 77 17.137 -6.341 7.994 1.00 15.41 H new ATOM 0 HG3 GLN A 77 17.150 -6.011 6.273 1.00 15.41 H new ATOM 0 HE21 GLN A 77 17.865 -8.205 4.964 1.00 51.34 H new ATOM 0 HE22 GLN A 77 16.875 -9.601 5.402 1.00 51.34 H new ATOM 1338 N ALA A 78 18.853 -3.785 5.583 1.00 42.40 N ATOM 1339 CA ALA A 78 18.110 -2.669 5.012 1.00 34.25 C ATOM 1340 C ALA A 78 17.114 -3.212 3.992 1.00 51.12 C ATOM 1341 O ALA A 78 17.052 -4.422 3.783 1.00 42.11 O ATOM 1342 CB ALA A 78 19.090 -1.675 4.389 1.00 31.23 C ATOM 0 H ALA A 78 19.390 -4.297 4.883 1.00 42.40 H new ATOM 0 HA ALA A 78 17.550 -2.139 5.782 1.00 34.25 H new ATOM 0 HB1 ALA A 78 18.537 -0.839 3.961 1.00 31.23 H new ATOM 0 HB2 ALA A 78 19.770 -1.305 5.156 1.00 31.23 H new ATOM 0 HB3 ALA A 78 19.662 -2.171 3.605 1.00 31.23 H new ATOM 1348 N PHE A 79 16.283 -2.337 3.426 1.00 24.12 N ATOM 1349 CA PHE A 79 15.304 -2.713 2.422 1.00 51.21 C ATOM 1350 C PHE A 79 14.952 -1.484 1.584 1.00 53.02 C ATOM 1351 O PHE A 79 15.082 -0.351 2.061 1.00 40.32 O ATOM 1352 CB PHE A 79 14.067 -3.351 3.073 1.00 74.14 C ATOM 1353 CG PHE A 79 12.933 -2.418 3.427 1.00 33.31 C ATOM 1354 CD1 PHE A 79 12.975 -1.663 4.609 1.00 44.33 C ATOM 1355 CD2 PHE A 79 11.835 -2.302 2.557 1.00 24.12 C ATOM 1356 CE1 PHE A 79 11.911 -0.800 4.915 1.00 62.20 C ATOM 1357 CE2 PHE A 79 10.767 -1.448 2.873 1.00 72.14 C ATOM 1358 CZ PHE A 79 10.798 -0.705 4.062 1.00 40.00 C ATOM 0 H PHE A 79 16.275 -1.343 3.657 1.00 24.12 H new ATOM 0 HA PHE A 79 15.726 -3.469 1.760 1.00 51.21 H new ATOM 0 HB2 PHE A 79 13.682 -4.115 2.397 1.00 74.14 H new ATOM 0 HB3 PHE A 79 14.385 -3.861 3.982 1.00 74.14 H new ATOM 0 HD1 PHE A 79 13.819 -1.745 5.278 1.00 44.33 H new ATOM 0 HD2 PHE A 79 11.813 -2.873 1.641 1.00 24.12 H new ATOM 0 HE1 PHE A 79 11.948 -0.203 5.814 1.00 62.20 H new ATOM 0 HE2 PHE A 79 9.924 -1.363 2.203 1.00 72.14 H new ATOM 0 HZ PHE A 79 9.970 -0.062 4.321 1.00 40.00 H new ATOM 1368 N PHE A 80 14.481 -1.723 0.362 1.00 44.43 N ATOM 1369 CA PHE A 80 14.089 -0.713 -0.607 1.00 21.34 C ATOM 1370 C PHE A 80 12.603 -0.874 -0.919 1.00 2.35 C ATOM 1371 O PHE A 80 12.027 -1.963 -0.790 1.00 31.21 O ATOM 1372 CB PHE A 80 14.984 -0.824 -1.849 1.00 72.50 C ATOM 1373 CG PHE A 80 16.430 -0.476 -1.555 1.00 11.34 C ATOM 1374 CD1 PHE A 80 17.331 -1.466 -1.121 1.00 0.45 C ATOM 1375 CD2 PHE A 80 16.871 0.853 -1.692 1.00 12.15 C ATOM 1376 CE1 PHE A 80 18.671 -1.133 -0.862 1.00 34.43 C ATOM 1377 CE2 PHE A 80 18.205 1.188 -1.413 1.00 15.03 C ATOM 1378 CZ PHE A 80 19.112 0.192 -1.022 1.00 72.44 C ATOM 0 H PHE A 80 14.358 -2.672 0.008 1.00 44.43 H new ATOM 0 HA PHE A 80 14.228 0.292 -0.208 1.00 21.34 H new ATOM 0 HB2 PHE A 80 14.931 -1.839 -2.242 1.00 72.50 H new ATOM 0 HB3 PHE A 80 14.605 -0.161 -2.627 1.00 72.50 H new ATOM 0 HD1 PHE A 80 16.992 -2.483 -0.987 1.00 0.45 H new ATOM 0 HD2 PHE A 80 16.180 1.618 -2.013 1.00 12.15 H new ATOM 0 HE1 PHE A 80 19.364 -1.896 -0.539 1.00 34.43 H new ATOM 0 HE2 PHE A 80 18.533 2.213 -1.499 1.00 15.03 H new ATOM 0 HZ PHE A 80 20.147 0.443 -0.844 1.00 72.44 H new ATOM 1388 N LEU A 81 11.987 0.243 -1.303 1.00 74.11 N ATOM 1389 CA LEU A 81 10.581 0.382 -1.639 1.00 23.22 C ATOM 1390 C LEU A 81 10.505 0.983 -3.039 1.00 14.21 C ATOM 1391 O LEU A 81 10.867 2.142 -3.261 1.00 53.43 O ATOM 1392 CB LEU A 81 9.890 1.245 -0.574 1.00 75.53 C ATOM 1393 CG LEU A 81 8.399 0.911 -0.439 1.00 64.40 C ATOM 1394 CD1 LEU A 81 7.776 1.839 0.599 1.00 53.44 C ATOM 1395 CD2 LEU A 81 7.595 1.043 -1.729 1.00 20.24 C ATOM 0 H LEU A 81 12.491 1.125 -1.391 1.00 74.11 H new ATOM 0 HA LEU A 81 10.060 -0.575 -1.647 1.00 23.22 H new ATOM 0 HB2 LEU A 81 10.383 1.097 0.387 1.00 75.53 H new ATOM 0 HB3 LEU A 81 10.003 2.298 -0.832 1.00 75.53 H new ATOM 0 HG LEU A 81 8.357 -0.139 -0.148 1.00 64.40 H new ATOM 0 HD11 LEU A 81 6.715 1.609 0.702 1.00 53.44 H new ATOM 0 HD12 LEU A 81 8.273 1.697 1.559 1.00 53.44 H new ATOM 0 HD13 LEU A 81 7.894 2.874 0.279 1.00 53.44 H new ATOM 0 HD21 LEU A 81 6.553 0.787 -1.536 1.00 20.24 H new ATOM 0 HD22 LEU A 81 7.655 2.069 -2.092 1.00 20.24 H new ATOM 0 HD23 LEU A 81 8.001 0.367 -2.482 1.00 20.24 H new ATOM 1407 N LEU A 82 10.060 0.160 -3.979 1.00 12.15 N ATOM 1408 CA LEU A 82 9.924 0.468 -5.384 1.00 10.02 C ATOM 1409 C LEU A 82 8.477 0.857 -5.680 1.00 10.53 C ATOM 1410 O LEU A 82 7.533 0.287 -5.127 1.00 24.01 O ATOM 1411 CB LEU A 82 10.368 -0.761 -6.199 1.00 51.40 C ATOM 1412 CG LEU A 82 11.759 -1.319 -5.806 1.00 71.20 C ATOM 1413 CD1 LEU A 82 11.691 -2.447 -4.763 1.00 31.13 C ATOM 1414 CD2 LEU A 82 12.519 -1.823 -7.040 1.00 54.41 C ATOM 0 H LEU A 82 9.769 -0.793 -3.762 1.00 12.15 H new ATOM 0 HA LEU A 82 10.555 1.312 -5.662 1.00 10.02 H new ATOM 0 HB2 LEU A 82 9.626 -1.550 -6.078 1.00 51.40 H new ATOM 0 HB3 LEU A 82 10.382 -0.496 -7.256 1.00 51.40 H new ATOM 0 HG LEU A 82 12.291 -0.482 -5.353 1.00 71.20 H new ATOM 0 HD11 LEU A 82 12.699 -2.791 -4.533 1.00 31.13 H new ATOM 0 HD12 LEU A 82 11.219 -2.074 -3.854 1.00 31.13 H new ATOM 0 HD13 LEU A 82 11.106 -3.276 -5.161 1.00 31.13 H new ATOM 0 HD21 LEU A 82 13.492 -2.209 -6.736 1.00 54.41 H new ATOM 0 HD22 LEU A 82 11.947 -2.617 -7.520 1.00 54.41 H new ATOM 0 HD23 LEU A 82 12.658 -1.001 -7.742 1.00 54.41 H new ATOM 1426 N VAL A 83 8.296 1.832 -6.564 1.00 31.12 N ATOM 1427 CA VAL A 83 7.002 2.362 -6.977 1.00 64.14 C ATOM 1428 C VAL A 83 6.742 1.780 -8.363 1.00 54.42 C ATOM 1429 O VAL A 83 7.630 1.853 -9.196 1.00 22.12 O ATOM 1430 CB VAL A 83 7.051 3.904 -6.922 1.00 1.53 C ATOM 1431 CG1 VAL A 83 5.623 4.439 -7.014 1.00 21.05 C ATOM 1432 CG2 VAL A 83 7.660 4.448 -5.612 1.00 21.24 C ATOM 0 H VAL A 83 9.077 2.293 -7.031 1.00 31.12 H new ATOM 0 HA VAL A 83 6.174 2.081 -6.325 1.00 64.14 H new ATOM 0 HB VAL A 83 7.680 4.230 -7.750 1.00 1.53 H new ATOM 0 HG11 VAL A 83 5.639 5.528 -6.977 1.00 21.05 H new ATOM 0 HG12 VAL A 83 5.173 4.115 -7.952 1.00 21.05 H new ATOM 0 HG13 VAL A 83 5.036 4.056 -6.179 1.00 21.05 H new ATOM 0 HG21 VAL A 83 7.665 5.538 -5.638 1.00 21.24 H new ATOM 0 HG22 VAL A 83 7.064 4.108 -4.765 1.00 21.24 H new ATOM 0 HG23 VAL A 83 8.682 4.083 -5.507 1.00 21.24 H new ATOM 1442 N ASN A 84 5.589 1.146 -8.619 1.00 24.02 N ATOM 1443 CA ASN A 84 5.218 0.484 -9.892 1.00 13.32 C ATOM 1444 C ASN A 84 6.211 -0.630 -10.285 1.00 1.34 C ATOM 1445 O ASN A 84 6.069 -1.247 -11.340 1.00 5.31 O ATOM 1446 CB ASN A 84 5.027 1.470 -11.072 1.00 14.52 C ATOM 1447 CG ASN A 84 3.577 1.745 -11.466 1.00 51.53 C ATOM 1448 OD1 ASN A 84 2.654 1.026 -11.091 1.00 33.44 O ATOM 1449 ND2 ASN A 84 3.335 2.749 -12.291 1.00 70.11 N ATOM 0 H ASN A 84 4.852 1.074 -7.917 1.00 24.02 H new ATOM 0 HA ASN A 84 4.247 0.029 -9.694 1.00 13.32 H new ATOM 0 HB2 ASN A 84 5.501 2.417 -10.813 1.00 14.52 H new ATOM 0 HB3 ASN A 84 5.554 1.077 -11.941 1.00 14.52 H new ATOM 0 HD21 ASN A 84 2.384 2.925 -12.615 1.00 70.11 H new ATOM 0 HD22 ASN A 84 4.099 3.348 -12.604 1.00 70.11 H new ATOM 1456 N GLY A 85 7.197 -0.925 -9.435 1.00 10.51 N ATOM 1457 CA GLY A 85 8.242 -1.911 -9.633 1.00 64.34 C ATOM 1458 C GLY A 85 9.606 -1.243 -9.867 1.00 22.44 C ATOM 1459 O GLY A 85 10.575 -1.944 -10.167 1.00 4.33 O ATOM 0 H GLY A 85 7.285 -0.448 -8.538 1.00 10.51 H new ATOM 0 HA2 GLY A 85 8.299 -2.563 -8.761 1.00 64.34 H new ATOM 0 HA3 GLY A 85 7.993 -2.541 -10.487 1.00 64.34 H new ATOM 1463 N HIS A 86 9.714 0.086 -9.711 1.00 74.23 N ATOM 1464 CA HIS A 86 10.919 0.879 -9.916 1.00 33.33 C ATOM 1465 C HIS A 86 11.226 1.847 -8.766 1.00 62.13 C ATOM 1466 O HIS A 86 10.392 2.650 -8.351 1.00 61.30 O ATOM 1467 CB HIS A 86 10.805 1.651 -11.241 1.00 10.02 C ATOM 1468 CG HIS A 86 9.510 2.364 -11.567 1.00 3.22 C ATOM 1469 ND1 HIS A 86 9.362 3.724 -11.706 1.00 44.02 N ATOM 1470 CD2 HIS A 86 8.350 1.788 -12.019 1.00 10.41 C ATOM 1471 CE1 HIS A 86 8.158 3.958 -12.253 1.00 61.52 C ATOM 1472 NE2 HIS A 86 7.529 2.802 -12.514 1.00 25.15 N ATOM 0 H HIS A 86 8.919 0.657 -9.424 1.00 74.23 H new ATOM 0 HA HIS A 86 11.753 0.178 -9.950 1.00 33.33 H new ATOM 0 HB2 HIS A 86 11.603 2.394 -11.259 1.00 10.02 H new ATOM 0 HB3 HIS A 86 11.006 0.948 -12.049 1.00 10.02 H new ATOM 0 HD2 HIS A 86 8.114 0.734 -11.996 1.00 10.41 H new ATOM 0 HE1 HIS A 86 7.753 4.939 -12.454 1.00 61.52 H new ATOM 0 HE2 HIS A 86 6.630 2.687 -12.981 1.00 25.15 H new ATOM 1480 N SER A 87 12.430 1.751 -8.199 1.00 12.33 N ATOM 1481 CA SER A 87 12.874 2.633 -7.128 1.00 12.45 C ATOM 1482 C SER A 87 13.473 3.850 -7.838 1.00 74.10 C ATOM 1483 O SER A 87 14.646 3.825 -8.210 1.00 53.20 O ATOM 1484 CB SER A 87 13.891 1.945 -6.197 1.00 10.11 C ATOM 1485 OG SER A 87 13.879 2.541 -4.910 1.00 4.33 O ATOM 0 H SER A 87 13.124 1.056 -8.474 1.00 12.33 H new ATOM 0 HA SER A 87 12.051 2.916 -6.472 1.00 12.45 H new ATOM 0 HB2 SER A 87 13.655 0.884 -6.114 1.00 10.11 H new ATOM 0 HB3 SER A 87 14.890 2.016 -6.626 1.00 10.11 H new ATOM 0 HG SER A 87 14.530 2.089 -4.334 1.00 4.33 H new ATOM 1491 N MET A 88 12.676 4.896 -8.068 1.00 25.44 N ATOM 1492 CA MET A 88 13.141 6.119 -8.730 1.00 12.04 C ATOM 1493 C MET A 88 12.813 7.385 -7.935 1.00 25.45 C ATOM 1494 O MET A 88 13.015 8.496 -8.432 1.00 23.43 O ATOM 1495 CB MET A 88 12.675 6.153 -10.192 1.00 73.14 C ATOM 1496 CG MET A 88 11.167 6.198 -10.457 1.00 71.10 C ATOM 1497 SD MET A 88 10.380 7.823 -10.301 1.00 22.54 S ATOM 1498 CE MET A 88 9.125 7.679 -11.602 1.00 51.41 C ATOM 0 H MET A 88 11.692 4.920 -7.801 1.00 25.44 H new ATOM 0 HA MET A 88 14.231 6.099 -8.754 1.00 12.04 H new ATOM 0 HB2 MET A 88 13.125 7.024 -10.668 1.00 73.14 H new ATOM 0 HB3 MET A 88 13.078 5.273 -10.693 1.00 73.14 H new ATOM 0 HG2 MET A 88 10.984 5.823 -11.464 1.00 71.10 H new ATOM 0 HG3 MET A 88 10.676 5.511 -9.767 1.00 71.10 H new ATOM 0 HE1 MET A 88 8.541 8.598 -11.648 1.00 51.41 H new ATOM 0 HE2 MET A 88 9.614 7.511 -12.562 1.00 51.41 H new ATOM 0 HE3 MET A 88 8.465 6.841 -11.379 1.00 51.41 H new ATOM 1508 N VAL A 89 12.326 7.224 -6.702 1.00 24.45 N ATOM 1509 CA VAL A 89 11.955 8.312 -5.810 1.00 65.12 C ATOM 1510 C VAL A 89 12.752 8.206 -4.509 1.00 33.44 C ATOM 1511 O VAL A 89 12.966 7.096 -4.002 1.00 65.30 O ATOM 1512 CB VAL A 89 10.435 8.253 -5.565 1.00 5.23 C ATOM 1513 CG1 VAL A 89 9.983 9.362 -4.621 1.00 70.31 C ATOM 1514 CG2 VAL A 89 9.649 8.397 -6.872 1.00 4.15 C ATOM 0 H VAL A 89 12.177 6.303 -6.290 1.00 24.45 H new ATOM 0 HA VAL A 89 12.192 9.277 -6.258 1.00 65.12 H new ATOM 0 HB VAL A 89 10.234 7.279 -5.119 1.00 5.23 H new ATOM 0 HG11 VAL A 89 8.906 9.293 -4.468 1.00 70.31 H new ATOM 0 HG12 VAL A 89 10.493 9.255 -3.664 1.00 70.31 H new ATOM 0 HG13 VAL A 89 10.227 10.331 -5.056 1.00 70.31 H new ATOM 0 HG21 VAL A 89 8.581 8.351 -6.661 1.00 4.15 H new ATOM 0 HG22 VAL A 89 9.886 9.355 -7.336 1.00 4.15 H new ATOM 0 HG23 VAL A 89 9.920 7.588 -7.551 1.00 4.15 H new ATOM 1524 N SER A 90 13.188 9.356 -3.993 1.00 70.30 N ATOM 1525 CA SER A 90 13.943 9.481 -2.759 1.00 25.15 C ATOM 1526 C SER A 90 13.008 9.348 -1.554 1.00 53.02 C ATOM 1527 O SER A 90 11.814 9.646 -1.628 1.00 21.32 O ATOM 1528 CB SER A 90 14.667 10.831 -2.766 1.00 22.12 C ATOM 1529 OG SER A 90 15.625 10.853 -3.808 1.00 63.14 O ATOM 0 H SER A 90 13.016 10.254 -4.444 1.00 70.30 H new ATOM 0 HA SER A 90 14.683 8.684 -2.683 1.00 25.15 H new ATOM 0 HB2 SER A 90 13.948 11.639 -2.902 1.00 22.12 H new ATOM 0 HB3 SER A 90 15.156 10.998 -1.806 1.00 22.12 H new ATOM 0 HG SER A 90 16.085 11.718 -3.811 1.00 63.14 H new ATOM 1535 N VAL A 91 13.550 8.957 -0.402 1.00 45.04 N ATOM 1536 CA VAL A 91 12.753 8.771 0.805 1.00 4.31 C ATOM 1537 C VAL A 91 12.143 10.078 1.345 1.00 22.52 C ATOM 1538 O VAL A 91 11.173 10.027 2.101 1.00 72.52 O ATOM 1539 CB VAL A 91 13.551 7.981 1.862 1.00 50.32 C ATOM 1540 CG1 VAL A 91 14.039 6.633 1.307 1.00 62.52 C ATOM 1541 CG2 VAL A 91 14.741 8.755 2.445 1.00 61.21 C ATOM 0 H VAL A 91 14.544 8.762 -0.281 1.00 45.04 H new ATOM 0 HA VAL A 91 11.886 8.169 0.534 1.00 4.31 H new ATOM 0 HB VAL A 91 12.848 7.810 2.677 1.00 50.32 H new ATOM 0 HG11 VAL A 91 14.598 6.103 2.078 1.00 62.52 H new ATOM 0 HG12 VAL A 91 13.181 6.033 1.003 1.00 62.52 H new ATOM 0 HG13 VAL A 91 14.684 6.806 0.446 1.00 62.52 H new ATOM 0 HG21 VAL A 91 15.253 8.135 3.181 1.00 61.21 H new ATOM 0 HG22 VAL A 91 15.434 9.015 1.644 1.00 61.21 H new ATOM 0 HG23 VAL A 91 14.383 9.666 2.925 1.00 61.21 H new ATOM 1551 N SER A 92 12.667 11.250 0.987 1.00 34.53 N ATOM 1552 CA SER A 92 12.124 12.518 1.464 1.00 24.21 C ATOM 1553 C SER A 92 11.010 13.079 0.575 1.00 21.23 C ATOM 1554 O SER A 92 10.325 14.008 1.003 1.00 53.10 O ATOM 1555 CB SER A 92 13.271 13.516 1.625 1.00 53.20 C ATOM 1556 OG SER A 92 13.966 13.207 2.817 1.00 33.15 O ATOM 0 H SER A 92 13.470 11.346 0.366 1.00 34.53 H new ATOM 0 HA SER A 92 11.649 12.337 2.428 1.00 24.21 H new ATOM 0 HB2 SER A 92 13.944 13.462 0.769 1.00 53.20 H new ATOM 0 HB3 SER A 92 12.885 14.535 1.664 1.00 53.20 H new ATOM 0 HG SER A 92 14.707 13.837 2.936 1.00 33.15 H new ATOM 1562 N THR A 93 10.794 12.533 -0.617 1.00 21.13 N ATOM 1563 CA THR A 93 9.774 12.996 -1.550 1.00 34.53 C ATOM 1564 C THR A 93 8.366 12.716 -0.972 1.00 31.11 C ATOM 1565 O THR A 93 8.165 11.673 -0.329 1.00 54.22 O ATOM 1566 CB THR A 93 10.064 12.321 -2.903 1.00 42.40 C ATOM 1567 OG1 THR A 93 11.458 12.423 -3.166 1.00 4.25 O ATOM 1568 CG2 THR A 93 9.310 12.948 -4.077 1.00 22.55 C ATOM 0 H THR A 93 11.333 11.741 -0.968 1.00 21.13 H new ATOM 0 HA THR A 93 9.799 14.075 -1.705 1.00 34.53 H new ATOM 0 HB THR A 93 9.728 11.287 -2.820 1.00 42.40 H new ATOM 0 HG1 THR A 93 11.661 11.996 -4.024 1.00 4.25 H new ATOM 0 HG21 THR A 93 9.564 12.420 -4.996 1.00 22.55 H new ATOM 0 HG22 THR A 93 8.237 12.874 -3.901 1.00 22.55 H new ATOM 0 HG23 THR A 93 9.591 13.997 -4.171 1.00 22.55 H new ATOM 1576 N PRO A 94 7.382 13.617 -1.175 1.00 4.25 N ATOM 1577 CA PRO A 94 6.036 13.445 -0.651 1.00 31.32 C ATOM 1578 C PRO A 94 5.228 12.385 -1.408 1.00 3.14 C ATOM 1579 O PRO A 94 5.161 12.357 -2.643 1.00 74.11 O ATOM 1580 CB PRO A 94 5.390 14.829 -0.746 1.00 61.43 C ATOM 1581 CG PRO A 94 6.073 15.480 -1.941 1.00 30.43 C ATOM 1582 CD PRO A 94 7.480 14.885 -1.895 1.00 11.44 C ATOM 0 HA PRO A 94 6.063 13.075 0.374 1.00 31.32 H new ATOM 0 HB2 PRO A 94 4.313 14.756 -0.894 1.00 61.43 H new ATOM 0 HB3 PRO A 94 5.548 15.405 0.166 1.00 61.43 H new ATOM 0 HG2 PRO A 94 5.564 15.243 -2.876 1.00 30.43 H new ATOM 0 HG3 PRO A 94 6.091 16.566 -1.854 1.00 30.43 H new ATOM 0 HD2 PRO A 94 7.866 14.728 -2.902 1.00 11.44 H new ATOM 0 HD3 PRO A 94 8.169 15.563 -1.391 1.00 11.44 H new ATOM 1590 N ILE A 95 4.536 11.538 -0.644 1.00 61.12 N ATOM 1591 CA ILE A 95 3.701 10.476 -1.199 1.00 44.53 C ATOM 1592 C ILE A 95 2.581 11.051 -2.079 1.00 51.31 C ATOM 1593 O ILE A 95 2.051 10.348 -2.935 1.00 44.13 O ATOM 1594 CB ILE A 95 3.178 9.587 -0.056 1.00 25.12 C ATOM 1595 CG1 ILE A 95 2.467 8.311 -0.550 1.00 31.25 C ATOM 1596 CG2 ILE A 95 2.253 10.368 0.891 1.00 32.01 C ATOM 1597 CD1 ILE A 95 3.348 7.439 -1.455 1.00 3.53 C ATOM 0 H ILE A 95 4.540 11.570 0.375 1.00 61.12 H new ATOM 0 HA ILE A 95 4.298 9.847 -1.859 1.00 44.53 H new ATOM 0 HB ILE A 95 4.065 9.270 0.492 1.00 25.12 H new ATOM 0 HG12 ILE A 95 2.149 7.724 0.311 1.00 31.25 H new ATOM 0 HG13 ILE A 95 1.566 8.593 -1.094 1.00 31.25 H new ATOM 0 HG21 ILE A 95 1.904 9.708 1.685 1.00 32.01 H new ATOM 0 HG22 ILE A 95 2.801 11.203 1.328 1.00 32.01 H new ATOM 0 HG23 ILE A 95 1.398 10.748 0.333 1.00 32.01 H new ATOM 0 HD11 ILE A 95 2.788 6.558 -1.768 1.00 3.53 H new ATOM 0 HD12 ILE A 95 3.645 8.011 -2.334 1.00 3.53 H new ATOM 0 HD13 ILE A 95 4.237 7.128 -0.907 1.00 3.53 H new ATOM 1609 N SER A 96 2.218 12.319 -1.865 1.00 32.15 N ATOM 1610 CA SER A 96 1.198 13.009 -2.625 1.00 3.32 C ATOM 1611 C SER A 96 1.662 13.083 -4.088 1.00 12.22 C ATOM 1612 O SER A 96 0.902 12.699 -4.986 1.00 12.42 O ATOM 1613 CB SER A 96 0.986 14.391 -1.989 1.00 21.31 C ATOM 1614 OG SER A 96 -0.120 15.064 -2.547 1.00 1.23 O ATOM 0 H SER A 96 2.641 12.898 -1.140 1.00 32.15 H new ATOM 0 HA SER A 96 0.240 12.489 -2.611 1.00 3.32 H new ATOM 0 HB2 SER A 96 0.837 14.277 -0.915 1.00 21.31 H new ATOM 0 HB3 SER A 96 1.884 14.994 -2.124 1.00 21.31 H new ATOM 0 HG SER A 96 -0.223 15.938 -2.115 1.00 1.23 H new ATOM 1620 N GLU A 97 2.893 13.565 -4.337 1.00 32.04 N ATOM 1621 CA GLU A 97 3.405 13.666 -5.692 1.00 11.34 C ATOM 1622 C GLU A 97 3.614 12.263 -6.248 1.00 11.15 C ATOM 1623 O GLU A 97 3.304 12.049 -7.416 1.00 2.21 O ATOM 1624 CB GLU A 97 4.627 14.595 -5.804 1.00 73.20 C ATOM 1625 CG GLU A 97 5.996 13.960 -5.542 1.00 25.24 C ATOM 1626 CD GLU A 97 7.139 14.896 -5.944 1.00 13.43 C ATOM 1627 OE1 GLU A 97 7.193 16.030 -5.414 1.00 51.20 O ATOM 1628 OE2 GLU A 97 7.972 14.512 -6.797 1.00 10.42 O ATOM 0 H GLU A 97 3.538 13.885 -3.615 1.00 32.04 H new ATOM 0 HA GLU A 97 2.667 14.160 -6.324 1.00 11.34 H new ATOM 0 HB2 GLU A 97 4.637 15.026 -6.805 1.00 73.20 H new ATOM 0 HB3 GLU A 97 4.494 15.419 -5.103 1.00 73.20 H new ATOM 0 HG2 GLU A 97 6.085 13.710 -4.485 1.00 25.24 H new ATOM 0 HG3 GLU A 97 6.077 13.026 -6.099 1.00 25.24 H new ATOM 1635 N VAL A 98 4.083 11.308 -5.427 1.00 73.21 N ATOM 1636 CA VAL A 98 4.281 9.929 -5.895 1.00 74.31 C ATOM 1637 C VAL A 98 2.942 9.385 -6.411 1.00 33.04 C ATOM 1638 O VAL A 98 2.902 8.779 -7.482 1.00 2.14 O ATOM 1639 CB VAL A 98 4.882 9.070 -4.769 1.00 34.24 C ATOM 1640 CG1 VAL A 98 5.023 7.590 -5.150 1.00 51.22 C ATOM 1641 CG2 VAL A 98 6.274 9.587 -4.397 1.00 4.32 C ATOM 0 H VAL A 98 4.329 11.464 -4.449 1.00 73.21 H new ATOM 0 HA VAL A 98 4.993 9.900 -6.720 1.00 74.31 H new ATOM 0 HB VAL A 98 4.188 9.148 -3.932 1.00 34.24 H new ATOM 0 HG11 VAL A 98 5.453 7.038 -4.314 1.00 51.22 H new ATOM 0 HG12 VAL A 98 4.041 7.181 -5.389 1.00 51.22 H new ATOM 0 HG13 VAL A 98 5.675 7.498 -6.018 1.00 51.22 H new ATOM 0 HG21 VAL A 98 6.690 8.971 -3.599 1.00 4.32 H new ATOM 0 HG22 VAL A 98 6.925 9.538 -5.270 1.00 4.32 H new ATOM 0 HG23 VAL A 98 6.200 10.620 -4.057 1.00 4.32 H new ATOM 1651 N TYR A 99 1.847 9.628 -5.681 1.00 62.42 N ATOM 1652 CA TYR A 99 0.517 9.190 -6.066 1.00 23.02 C ATOM 1653 C TYR A 99 0.171 9.731 -7.439 1.00 44.31 C ATOM 1654 O TYR A 99 -0.046 8.953 -8.364 1.00 54.14 O ATOM 1655 CB TYR A 99 -0.525 9.688 -5.058 1.00 25.05 C ATOM 1656 CG TYR A 99 -1.968 9.390 -5.426 1.00 41.22 C ATOM 1657 CD1 TYR A 99 -2.517 8.113 -5.215 1.00 2.15 C ATOM 1658 CD2 TYR A 99 -2.771 10.404 -5.984 1.00 63.40 C ATOM 1659 CE1 TYR A 99 -3.865 7.863 -5.526 1.00 23.44 C ATOM 1660 CE2 TYR A 99 -4.110 10.154 -6.319 1.00 72.32 C ATOM 1661 CZ TYR A 99 -4.671 8.878 -6.089 1.00 3.42 C ATOM 1662 OH TYR A 99 -5.984 8.647 -6.363 1.00 73.42 O ATOM 0 H TYR A 99 1.869 10.140 -4.799 1.00 62.42 H new ATOM 0 HA TYR A 99 0.508 8.100 -6.085 1.00 23.02 H new ATOM 0 HB2 TYR A 99 -0.313 9.239 -4.088 1.00 25.05 H new ATOM 0 HB3 TYR A 99 -0.410 10.766 -4.942 1.00 25.05 H new ATOM 0 HD1 TYR A 99 -1.901 7.322 -4.813 1.00 2.15 H new ATOM 0 HD2 TYR A 99 -2.351 11.384 -6.156 1.00 63.40 H new ATOM 0 HE1 TYR A 99 -4.288 6.888 -5.333 1.00 23.44 H new ATOM 0 HE2 TYR A 99 -4.713 10.938 -6.753 1.00 72.32 H new ATOM 0 HH TYR A 99 -6.385 9.455 -6.746 1.00 73.42 H new ATOM 1672 N GLU A 100 0.130 11.058 -7.588 1.00 61.04 N ATOM 1673 CA GLU A 100 -0.228 11.606 -8.898 1.00 5.52 C ATOM 1674 C GLU A 100 0.800 11.296 -10.000 1.00 22.03 C ATOM 1675 O GLU A 100 0.469 11.464 -11.172 1.00 71.42 O ATOM 1676 CB GLU A 100 -0.639 13.081 -8.811 1.00 21.33 C ATOM 1677 CG GLU A 100 0.383 13.939 -8.079 1.00 61.20 C ATOM 1678 CD GLU A 100 -0.079 15.382 -7.932 1.00 12.34 C ATOM 1679 OE1 GLU A 100 -0.898 15.635 -7.012 1.00 63.21 O ATOM 1680 OE2 GLU A 100 0.394 16.268 -8.676 1.00 11.43 O ATOM 0 H GLU A 100 0.329 11.743 -6.859 1.00 61.04 H new ATOM 0 HA GLU A 100 -1.120 11.071 -9.223 1.00 5.52 H new ATOM 0 HB2 GLU A 100 -0.781 13.473 -9.818 1.00 21.33 H new ATOM 0 HB3 GLU A 100 -1.600 13.156 -8.302 1.00 21.33 H new ATOM 0 HG2 GLU A 100 0.569 13.516 -7.092 1.00 61.20 H new ATOM 0 HG3 GLU A 100 1.329 13.915 -8.620 1.00 61.20 H new ATOM 1687 N SER A 101 2.003 10.819 -9.661 1.00 42.21 N ATOM 1688 CA SER A 101 3.046 10.486 -10.619 1.00 5.41 C ATOM 1689 C SER A 101 2.889 9.071 -11.169 1.00 4.15 C ATOM 1690 O SER A 101 3.117 8.877 -12.366 1.00 32.11 O ATOM 1691 CB SER A 101 4.423 10.610 -9.933 1.00 2.41 C ATOM 1692 OG SER A 101 5.532 10.565 -10.823 1.00 11.22 O ATOM 0 H SER A 101 2.277 10.653 -8.693 1.00 42.21 H new ATOM 0 HA SER A 101 2.965 11.181 -11.455 1.00 5.41 H new ATOM 0 HB2 SER A 101 4.456 11.548 -9.379 1.00 2.41 H new ATOM 0 HB3 SER A 101 4.525 9.806 -9.204 1.00 2.41 H new ATOM 0 HG SER A 101 5.607 9.666 -11.207 1.00 11.22 H new ATOM 1698 N GLU A 102 2.470 8.094 -10.356 1.00 51.43 N ATOM 1699 CA GLU A 102 2.352 6.706 -10.820 1.00 52.31 C ATOM 1700 C GLU A 102 0.918 6.170 -10.804 1.00 23.12 C ATOM 1701 O GLU A 102 0.709 4.996 -11.102 1.00 30.03 O ATOM 1702 CB GLU A 102 3.345 5.813 -10.051 1.00 73.41 C ATOM 1703 CG GLU A 102 4.751 6.417 -9.876 1.00 34.24 C ATOM 1704 CD GLU A 102 5.443 6.885 -11.159 1.00 73.10 C ATOM 1705 OE1 GLU A 102 5.565 6.101 -12.128 1.00 5.23 O ATOM 1706 OE2 GLU A 102 5.956 8.030 -11.157 1.00 62.23 O ATOM 0 H GLU A 102 2.209 8.237 -9.380 1.00 51.43 H new ATOM 0 HA GLU A 102 2.623 6.686 -11.876 1.00 52.31 H new ATOM 0 HB2 GLU A 102 2.931 5.598 -9.066 1.00 73.41 H new ATOM 0 HB3 GLU A 102 3.436 4.861 -10.573 1.00 73.41 H new ATOM 0 HG2 GLU A 102 4.679 7.265 -9.195 1.00 34.24 H new ATOM 0 HG3 GLU A 102 5.387 5.674 -9.394 1.00 34.24 H new ATOM 1713 N LYS A 103 -0.063 7.025 -10.502 1.00 44.23 N ATOM 1714 CA LYS A 103 -1.494 6.709 -10.441 1.00 51.34 C ATOM 1715 C LYS A 103 -1.967 5.786 -11.568 1.00 42.42 C ATOM 1716 O LYS A 103 -1.843 6.124 -12.749 1.00 63.10 O ATOM 1717 CB LYS A 103 -2.312 8.020 -10.460 1.00 45.23 C ATOM 1718 CG LYS A 103 -1.906 9.020 -11.575 1.00 41.11 C ATOM 1719 CD LYS A 103 -2.965 9.209 -12.664 1.00 64.23 C ATOM 1720 CE LYS A 103 -4.028 10.183 -12.163 1.00 42.11 C ATOM 1721 NZ LYS A 103 -5.174 10.268 -13.082 1.00 54.21 N ATOM 0 H LYS A 103 0.127 8.003 -10.283 1.00 44.23 H new ATOM 0 HA LYS A 103 -1.656 6.165 -9.510 1.00 51.34 H new ATOM 0 HB2 LYS A 103 -3.367 7.773 -10.579 1.00 45.23 H new ATOM 0 HB3 LYS A 103 -2.207 8.512 -9.493 1.00 45.23 H new ATOM 0 HG2 LYS A 103 -1.692 9.987 -11.120 1.00 41.11 H new ATOM 0 HG3 LYS A 103 -0.982 8.675 -12.038 1.00 41.11 H new ATOM 0 HD2 LYS A 103 -2.504 9.591 -13.575 1.00 64.23 H new ATOM 0 HD3 LYS A 103 -3.421 8.251 -12.915 1.00 64.23 H new ATOM 0 HE2 LYS A 103 -4.375 9.867 -11.179 1.00 42.11 H new ATOM 0 HE3 LYS A 103 -3.586 11.172 -12.042 1.00 42.11 H new ATOM 0 HZ1 LYS A 103 -5.872 10.940 -12.705 1.00 54.21 H new ATOM 0 HZ2 LYS A 103 -4.848 10.594 -14.014 1.00 54.21 H new ATOM 0 HZ3 LYS A 103 -5.613 9.330 -13.178 1.00 54.21 H new ATOM 1735 N ASP A 104 -2.594 4.668 -11.205 1.00 74.41 N ATOM 1736 CA ASP A 104 -3.131 3.696 -12.160 1.00 52.52 C ATOM 1737 C ASP A 104 -4.393 4.260 -12.819 1.00 12.13 C ATOM 1738 O ASP A 104 -4.879 5.326 -12.434 1.00 65.10 O ATOM 1739 CB ASP A 104 -3.505 2.396 -11.423 1.00 63.13 C ATOM 1740 CG ASP A 104 -2.603 1.242 -11.820 1.00 62.24 C ATOM 1741 OD1 ASP A 104 -1.356 1.393 -11.785 1.00 12.34 O ATOM 1742 OD2 ASP A 104 -3.171 0.210 -12.231 1.00 70.20 O ATOM 0 H ASP A 104 -2.746 4.408 -10.230 1.00 74.41 H new ATOM 0 HA ASP A 104 -2.374 3.493 -12.917 1.00 52.52 H new ATOM 0 HB2 ASP A 104 -3.437 2.556 -10.347 1.00 63.13 H new ATOM 0 HB3 ASP A 104 -4.541 2.139 -11.643 1.00 63.13 H new ATOM 1747 N GLU A 105 -4.972 3.557 -13.797 1.00 22.13 N ATOM 1748 CA GLU A 105 -6.207 3.986 -14.460 1.00 12.51 C ATOM 1749 C GLU A 105 -7.363 3.988 -13.442 1.00 73.12 C ATOM 1750 O GLU A 105 -8.318 4.750 -13.581 1.00 74.11 O ATOM 1751 CB GLU A 105 -6.499 3.119 -15.697 1.00 14.24 C ATOM 1752 CG GLU A 105 -6.884 1.668 -15.366 1.00 70.31 C ATOM 1753 CD GLU A 105 -6.961 0.778 -16.609 1.00 44.44 C ATOM 1754 OE1 GLU A 105 -7.671 1.134 -17.575 1.00 45.14 O ATOM 1755 OE2 GLU A 105 -6.354 -0.319 -16.619 1.00 1.51 O ATOM 0 H GLU A 105 -4.599 2.676 -14.151 1.00 22.13 H new ATOM 0 HA GLU A 105 -6.090 5.005 -14.829 1.00 12.51 H new ATOM 0 HB2 GLU A 105 -7.307 3.578 -16.267 1.00 14.24 H new ATOM 0 HB3 GLU A 105 -5.619 3.113 -16.340 1.00 14.24 H new ATOM 0 HG2 GLU A 105 -6.154 1.252 -14.671 1.00 70.31 H new ATOM 0 HG3 GLU A 105 -7.848 1.659 -14.858 1.00 70.31 H new ATOM 1762 N ASP A 106 -7.286 3.129 -12.419 1.00 25.35 N ATOM 1763 CA ASP A 106 -8.277 3.036 -11.341 1.00 65.11 C ATOM 1764 C ASP A 106 -8.019 4.208 -10.381 1.00 21.13 C ATOM 1765 O ASP A 106 -8.930 4.761 -9.762 1.00 64.21 O ATOM 1766 CB ASP A 106 -8.034 1.727 -10.564 1.00 23.04 C ATOM 1767 CG ASP A 106 -9.141 1.230 -9.648 1.00 54.11 C ATOM 1768 OD1 ASP A 106 -9.367 1.891 -8.611 1.00 51.10 O ATOM 1769 OD2 ASP A 106 -9.598 0.088 -9.890 1.00 14.51 O ATOM 0 H ASP A 106 -6.518 2.466 -12.315 1.00 25.35 H new ATOM 0 HA ASP A 106 -9.291 3.059 -11.740 1.00 65.11 H new ATOM 0 HB2 ASP A 106 -7.822 0.942 -11.289 1.00 23.04 H new ATOM 0 HB3 ASP A 106 -7.134 1.857 -9.962 1.00 23.04 H new ATOM 1774 N GLY A 107 -6.741 4.596 -10.266 1.00 73.01 N ATOM 1775 CA GLY A 107 -6.192 5.654 -9.431 1.00 73.11 C ATOM 1776 C GLY A 107 -5.342 5.131 -8.275 1.00 25.33 C ATOM 1777 O GLY A 107 -4.676 5.932 -7.632 1.00 21.22 O ATOM 0 H GLY A 107 -6.009 4.133 -10.804 1.00 73.01 H new ATOM 0 HA2 GLY A 107 -5.585 6.317 -10.048 1.00 73.11 H new ATOM 0 HA3 GLY A 107 -7.010 6.252 -9.030 1.00 73.11 H new ATOM 1781 N PHE A 108 -5.315 3.820 -8.033 1.00 61.10 N ATOM 1782 CA PHE A 108 -4.561 3.188 -6.959 1.00 34.35 C ATOM 1783 C PHE A 108 -3.061 3.293 -7.187 1.00 65.14 C ATOM 1784 O PHE A 108 -2.628 3.387 -8.335 1.00 12.21 O ATOM 1785 CB PHE A 108 -4.902 1.690 -6.946 1.00 54.32 C ATOM 1786 CG PHE A 108 -6.036 1.266 -6.042 1.00 72.24 C ATOM 1787 CD1 PHE A 108 -5.929 1.480 -4.656 1.00 5.21 C ATOM 1788 CD2 PHE A 108 -7.125 0.537 -6.558 1.00 14.25 C ATOM 1789 CE1 PHE A 108 -6.889 0.945 -3.785 1.00 24.13 C ATOM 1790 CE2 PHE A 108 -8.086 0.002 -5.685 1.00 40.52 C ATOM 1791 CZ PHE A 108 -7.969 0.216 -4.302 1.00 12.52 C ATOM 0 H PHE A 108 -5.835 3.150 -8.600 1.00 61.10 H new ATOM 0 HA PHE A 108 -4.823 3.689 -6.027 1.00 34.35 H new ATOM 0 HB2 PHE A 108 -5.145 1.386 -7.964 1.00 54.32 H new ATOM 0 HB3 PHE A 108 -4.008 1.139 -6.654 1.00 54.32 H new ATOM 0 HD1 PHE A 108 -5.106 2.057 -4.262 1.00 5.21 H new ATOM 0 HD2 PHE A 108 -7.221 0.390 -7.624 1.00 14.25 H new ATOM 0 HE1 PHE A 108 -6.797 1.094 -2.719 1.00 24.13 H new ATOM 0 HE2 PHE A 108 -8.913 -0.572 -6.076 1.00 40.52 H new ATOM 0 HZ PHE A 108 -8.716 -0.184 -3.632 1.00 12.52 H new ATOM 1801 N LEU A 109 -2.270 3.253 -6.109 1.00 5.54 N ATOM 1802 CA LEU A 109 -0.814 3.297 -6.243 1.00 52.30 C ATOM 1803 C LEU A 109 -0.183 1.935 -5.934 1.00 70.14 C ATOM 1804 O LEU A 109 -0.248 1.499 -4.783 1.00 44.23 O ATOM 1805 CB LEU A 109 -0.250 4.460 -5.423 1.00 23.34 C ATOM 1806 CG LEU A 109 0.941 5.148 -6.103 1.00 24.21 C ATOM 1807 CD1 LEU A 109 2.137 4.228 -6.343 1.00 43.14 C ATOM 1808 CD2 LEU A 109 0.542 5.830 -7.415 1.00 12.35 C ATOM 0 H LEU A 109 -2.609 3.191 -5.149 1.00 5.54 H new ATOM 0 HA LEU A 109 -0.545 3.496 -7.280 1.00 52.30 H new ATOM 0 HB2 LEU A 109 -1.038 5.194 -5.253 1.00 23.34 H new ATOM 0 HB3 LEU A 109 0.060 4.092 -4.445 1.00 23.34 H new ATOM 0 HG LEU A 109 1.259 5.907 -5.388 1.00 24.21 H new ATOM 0 HD11 LEU A 109 2.936 4.789 -6.827 1.00 43.14 H new ATOM 0 HD12 LEU A 109 2.493 3.838 -5.390 1.00 43.14 H new ATOM 0 HD13 LEU A 109 1.836 3.400 -6.984 1.00 43.14 H new ATOM 0 HD21 LEU A 109 1.417 6.303 -7.860 1.00 12.35 H new ATOM 0 HD22 LEU A 109 0.142 5.087 -8.104 1.00 12.35 H new ATOM 0 HD23 LEU A 109 -0.217 6.586 -7.216 1.00 12.35 H new ATOM 1820 N TYR A 110 0.384 1.220 -6.909 1.00 41.43 N ATOM 1821 CA TYR A 110 1.019 -0.077 -6.669 1.00 51.51 C ATOM 1822 C TYR A 110 2.488 0.118 -6.275 1.00 12.12 C ATOM 1823 O TYR A 110 3.291 0.617 -7.062 1.00 22.02 O ATOM 1824 CB TYR A 110 0.980 -0.972 -7.917 1.00 1.14 C ATOM 1825 CG TYR A 110 -0.370 -1.456 -8.399 1.00 51.14 C ATOM 1826 CD1 TYR A 110 -1.225 -2.176 -7.543 1.00 71.01 C ATOM 1827 CD2 TYR A 110 -0.712 -1.297 -9.754 1.00 34.34 C ATOM 1828 CE1 TYR A 110 -2.423 -2.714 -8.044 1.00 74.23 C ATOM 1829 CE2 TYR A 110 -1.889 -1.860 -10.263 1.00 34.42 C ATOM 1830 CZ TYR A 110 -2.758 -2.563 -9.408 1.00 42.40 C ATOM 1831 OH TYR A 110 -3.907 -3.112 -9.879 1.00 62.12 O ATOM 0 H TYR A 110 0.416 1.523 -7.883 1.00 41.43 H new ATOM 0 HA TYR A 110 0.462 -0.558 -5.865 1.00 51.51 H new ATOM 0 HB2 TYR A 110 1.451 -0.426 -8.735 1.00 1.14 H new ATOM 0 HB3 TYR A 110 1.598 -1.848 -7.720 1.00 1.14 H new ATOM 0 HD1 TYR A 110 -0.961 -2.314 -6.505 1.00 71.01 H new ATOM 0 HD2 TYR A 110 -0.061 -0.736 -10.408 1.00 34.34 H new ATOM 0 HE1 TYR A 110 -3.091 -3.246 -7.383 1.00 74.23 H new ATOM 0 HE2 TYR A 110 -2.129 -1.755 -11.311 1.00 34.42 H new ATOM 0 HH TYR A 110 -3.994 -2.919 -10.836 1.00 62.12 H new ATOM 1841 N MET A 111 2.895 -0.393 -5.117 1.00 21.03 N ATOM 1842 CA MET A 111 4.247 -0.327 -4.567 1.00 61.13 C ATOM 1843 C MET A 111 4.691 -1.732 -4.125 1.00 35.33 C ATOM 1844 O MET A 111 3.865 -2.575 -3.743 1.00 15.51 O ATOM 1845 CB MET A 111 4.253 0.714 -3.432 1.00 62.23 C ATOM 1846 CG MET A 111 4.756 2.071 -3.949 1.00 22.11 C ATOM 1847 SD MET A 111 4.228 3.562 -3.057 1.00 1.55 S ATOM 1848 CE MET A 111 4.845 3.290 -1.375 1.00 61.30 C ATOM 0 H MET A 111 2.254 -0.893 -4.501 1.00 21.03 H new ATOM 0 HA MET A 111 4.974 -0.002 -5.311 1.00 61.13 H new ATOM 0 HB2 MET A 111 3.248 0.823 -3.025 1.00 62.23 H new ATOM 0 HB3 MET A 111 4.891 0.369 -2.618 1.00 62.23 H new ATOM 0 HG2 MET A 111 5.846 2.047 -3.948 1.00 22.11 H new ATOM 0 HG3 MET A 111 4.441 2.172 -4.988 1.00 22.11 H new ATOM 0 HE1 MET A 111 4.362 3.990 -0.693 1.00 61.30 H new ATOM 0 HE2 MET A 111 4.621 2.269 -1.066 1.00 61.30 H new ATOM 0 HE3 MET A 111 5.923 3.448 -1.353 1.00 61.30 H new ATOM 1858 N VAL A 112 5.991 -2.024 -4.198 1.00 40.51 N ATOM 1859 CA VAL A 112 6.555 -3.326 -3.830 1.00 74.40 C ATOM 1860 C VAL A 112 7.837 -3.115 -3.025 1.00 43.12 C ATOM 1861 O VAL A 112 8.507 -2.102 -3.220 1.00 31.01 O ATOM 1862 CB VAL A 112 6.837 -4.195 -5.087 1.00 3.45 C ATOM 1863 CG1 VAL A 112 6.707 -5.690 -4.775 1.00 35.35 C ATOM 1864 CG2 VAL A 112 5.941 -3.905 -6.301 1.00 42.31 C ATOM 0 H VAL A 112 6.691 -1.355 -4.518 1.00 40.51 H new ATOM 0 HA VAL A 112 5.827 -3.861 -3.219 1.00 74.40 H new ATOM 0 HB VAL A 112 7.858 -3.922 -5.354 1.00 3.45 H new ATOM 0 HG11 VAL A 112 6.911 -6.269 -5.676 1.00 35.35 H new ATOM 0 HG12 VAL A 112 7.422 -5.963 -3.999 1.00 35.35 H new ATOM 0 HG13 VAL A 112 5.696 -5.903 -4.428 1.00 35.35 H new ATOM 0 HG21 VAL A 112 6.219 -4.564 -7.124 1.00 42.31 H new ATOM 0 HG22 VAL A 112 4.899 -4.078 -6.033 1.00 42.31 H new ATOM 0 HG23 VAL A 112 6.069 -2.867 -6.608 1.00 42.31 H new ATOM 1874 N TYR A 113 8.215 -4.058 -2.157 1.00 40.53 N ATOM 1875 CA TYR A 113 9.437 -3.929 -1.358 1.00 61.51 C ATOM 1876 C TYR A 113 10.277 -5.205 -1.369 1.00 40.41 C ATOM 1877 O TYR A 113 9.727 -6.305 -1.504 1.00 2.15 O ATOM 1878 CB TYR A 113 9.072 -3.537 0.077 1.00 61.40 C ATOM 1879 CG TYR A 113 8.416 -4.643 0.885 1.00 15.31 C ATOM 1880 CD1 TYR A 113 7.030 -4.852 0.780 1.00 2.53 C ATOM 1881 CD2 TYR A 113 9.189 -5.490 1.707 1.00 54.51 C ATOM 1882 CE1 TYR A 113 6.420 -5.904 1.480 1.00 52.53 C ATOM 1883 CE2 TYR A 113 8.583 -6.547 2.413 1.00 53.14 C ATOM 1884 CZ TYR A 113 7.190 -6.757 2.297 1.00 23.14 C ATOM 1885 OH TYR A 113 6.558 -7.718 3.015 1.00 41.34 O ATOM 0 H TYR A 113 7.693 -4.918 -1.990 1.00 40.53 H new ATOM 0 HA TYR A 113 10.049 -3.147 -1.808 1.00 61.51 H new ATOM 0 HB2 TYR A 113 9.976 -3.215 0.593 1.00 61.40 H new ATOM 0 HB3 TYR A 113 8.400 -2.679 0.046 1.00 61.40 H new ATOM 0 HD1 TYR A 113 6.433 -4.201 0.159 1.00 2.53 H new ATOM 0 HD2 TYR A 113 10.253 -5.327 1.795 1.00 54.51 H new ATOM 0 HE1 TYR A 113 5.355 -6.061 1.393 1.00 52.53 H new ATOM 0 HE2 TYR A 113 9.179 -7.194 3.040 1.00 53.14 H new ATOM 0 HH TYR A 113 7.220 -8.250 3.503 1.00 41.34 H new ATOM 1895 N ALA A 114 11.600 -5.040 -1.249 1.00 11.34 N ATOM 1896 CA ALA A 114 12.582 -6.124 -1.207 1.00 52.04 C ATOM 1897 C ALA A 114 13.931 -5.617 -0.679 1.00 15.12 C ATOM 1898 O ALA A 114 14.151 -4.408 -0.578 1.00 31.12 O ATOM 1899 CB ALA A 114 12.796 -6.697 -2.615 1.00 62.33 C ATOM 0 H ALA A 114 12.028 -4.117 -1.176 1.00 11.34 H new ATOM 0 HA ALA A 114 12.198 -6.896 -0.541 1.00 52.04 H new ATOM 0 HB1 ALA A 114 13.529 -7.503 -2.572 1.00 62.33 H new ATOM 0 HB2 ALA A 114 11.852 -7.085 -2.997 1.00 62.33 H new ATOM 0 HB3 ALA A 114 13.160 -5.911 -3.276 1.00 62.33 H new ATOM 1905 N SER A 115 14.862 -6.528 -0.408 1.00 54.10 N ATOM 1906 CA SER A 115 16.201 -6.240 0.070 1.00 33.33 C ATOM 1907 C SER A 115 17.129 -6.307 -1.149 1.00 4.33 C ATOM 1908 O SER A 115 17.797 -7.317 -1.383 1.00 44.00 O ATOM 1909 CB SER A 115 16.576 -7.250 1.169 1.00 35.45 C ATOM 1910 OG SER A 115 17.730 -6.830 1.868 1.00 64.44 O ATOM 0 H SER A 115 14.692 -7.527 -0.522 1.00 54.10 H new ATOM 0 HA SER A 115 16.283 -5.251 0.522 1.00 33.33 H new ATOM 0 HB2 SER A 115 15.745 -7.361 1.865 1.00 35.45 H new ATOM 0 HB3 SER A 115 16.752 -8.229 0.724 1.00 35.45 H new ATOM 0 HG SER A 115 17.505 -6.070 2.445 1.00 64.44 H new ATOM 1916 N GLN A 116 17.136 -5.255 -1.971 1.00 15.12 N ATOM 1917 CA GLN A 116 17.970 -5.128 -3.161 1.00 52.41 C ATOM 1918 C GLN A 116 17.801 -3.693 -3.653 1.00 41.20 C ATOM 1919 O GLN A 116 16.665 -3.251 -3.820 1.00 23.33 O ATOM 1920 CB GLN A 116 17.534 -6.128 -4.264 1.00 64.34 C ATOM 1921 CG GLN A 116 18.718 -6.988 -4.727 1.00 21.35 C ATOM 1922 CD GLN A 116 18.297 -8.110 -5.675 1.00 3.13 C ATOM 1923 OE1 GLN A 116 18.072 -9.247 -5.265 1.00 53.42 O ATOM 1924 NE2 GLN A 116 18.171 -7.834 -6.960 1.00 64.32 N ATOM 0 H GLN A 116 16.539 -4.442 -1.818 1.00 15.12 H new ATOM 0 HA GLN A 116 19.010 -5.353 -2.926 1.00 52.41 H new ATOM 0 HB2 GLN A 116 16.740 -6.771 -3.884 1.00 64.34 H new ATOM 0 HB3 GLN A 116 17.123 -5.582 -5.113 1.00 64.34 H new ATOM 0 HG2 GLN A 116 19.450 -6.353 -5.225 1.00 21.35 H new ATOM 0 HG3 GLN A 116 19.211 -7.420 -3.856 1.00 21.35 H new ATOM 0 HE21 GLN A 116 18.358 -6.891 -7.300 1.00 64.32 H new ATOM 0 HE22 GLN A 116 17.887 -8.564 -7.613 1.00 64.32 H new ATOM 1933 N GLU A 117 18.904 -2.998 -3.939 1.00 34.25 N ATOM 1934 CA GLU A 117 18.856 -1.619 -4.423 1.00 60.13 C ATOM 1935 C GLU A 117 18.587 -1.579 -5.932 1.00 34.45 C ATOM 1936 O GLU A 117 18.059 -0.594 -6.448 1.00 34.42 O ATOM 1937 CB GLU A 117 20.177 -0.905 -4.086 1.00 32.53 C ATOM 1938 CG GLU A 117 20.060 0.605 -4.330 1.00 50.23 C ATOM 1939 CD GLU A 117 21.138 1.422 -3.609 1.00 72.23 C ATOM 1940 OE1 GLU A 117 22.346 1.096 -3.723 1.00 32.21 O ATOM 1941 OE2 GLU A 117 20.806 2.442 -2.960 1.00 51.13 O ATOM 0 H GLU A 117 19.848 -3.372 -3.842 1.00 34.25 H new ATOM 0 HA GLU A 117 18.036 -1.100 -3.926 1.00 60.13 H new ATOM 0 HB2 GLU A 117 20.440 -1.090 -3.044 1.00 32.53 H new ATOM 0 HB3 GLU A 117 20.982 -1.315 -4.695 1.00 32.53 H new ATOM 0 HG2 GLU A 117 20.123 0.799 -5.401 1.00 50.23 H new ATOM 0 HG3 GLU A 117 19.077 0.944 -4.002 1.00 50.23 H new ATOM 1948 N THR A 118 18.944 -2.653 -6.634 1.00 63.21 N ATOM 1949 CA THR A 118 18.792 -2.836 -8.064 1.00 52.13 C ATOM 1950 C THR A 118 18.246 -4.247 -8.251 1.00 13.33 C ATOM 1951 O THR A 118 18.811 -5.189 -7.688 1.00 72.10 O ATOM 1952 CB THR A 118 20.156 -2.658 -8.758 1.00 40.31 C ATOM 1953 OG1 THR A 118 21.137 -3.489 -8.158 1.00 62.51 O ATOM 1954 CG2 THR A 118 20.667 -1.213 -8.684 1.00 35.35 C ATOM 0 H THR A 118 19.372 -3.463 -6.186 1.00 63.21 H new ATOM 0 HA THR A 118 18.116 -2.104 -8.506 1.00 52.13 H new ATOM 0 HB THR A 118 19.998 -2.930 -9.802 1.00 40.31 H new ATOM 0 HG1 THR A 118 20.700 -4.254 -7.728 1.00 62.51 H new ATOM 0 HG21 THR A 118 21.631 -1.142 -9.188 1.00 35.35 H new ATOM 0 HG22 THR A 118 19.953 -0.549 -9.171 1.00 35.35 H new ATOM 0 HG23 THR A 118 20.781 -0.920 -7.640 1.00 35.35 H new ATOM 1962 N PHE A 119 17.128 -4.399 -8.954 1.00 52.21 N ATOM 1963 CA PHE A 119 16.526 -5.694 -9.208 1.00 32.54 C ATOM 1964 C PHE A 119 17.340 -6.393 -10.277 1.00 63.22 C ATOM 1965 O PHE A 119 17.375 -5.866 -11.412 1.00 33.41 O ATOM 1966 CB PHE A 119 15.052 -5.538 -9.599 1.00 23.21 C ATOM 1967 CG PHE A 119 14.079 -5.472 -8.438 1.00 34.41 C ATOM 1968 CD1 PHE A 119 14.480 -5.067 -7.147 1.00 31.24 C ATOM 1969 CD2 PHE A 119 12.752 -5.884 -8.650 1.00 51.23 C ATOM 1970 CE1 PHE A 119 13.578 -5.127 -6.074 1.00 3.01 C ATOM 1971 CE2 PHE A 119 11.850 -5.928 -7.578 1.00 14.15 C ATOM 1972 CZ PHE A 119 12.264 -5.572 -6.283 1.00 73.11 C ATOM 0 H PHE A 119 16.614 -3.619 -9.364 1.00 52.21 H new ATOM 0 HA PHE A 119 16.536 -6.306 -8.306 1.00 32.54 H new ATOM 0 HB2 PHE A 119 14.945 -4.631 -10.194 1.00 23.21 H new ATOM 0 HB3 PHE A 119 14.772 -6.374 -10.239 1.00 23.21 H new ATOM 0 HD1 PHE A 119 15.486 -4.709 -6.984 1.00 31.24 H new ATOM 0 HD2 PHE A 119 12.427 -6.167 -9.640 1.00 51.23 H new ATOM 0 HE1 PHE A 119 13.896 -4.830 -5.085 1.00 3.01 H new ATOM 0 HE2 PHE A 119 10.829 -6.238 -7.748 1.00 14.15 H new ATOM 0 HZ PHE A 119 11.575 -5.641 -5.454 1.00 73.11 H new TER 1982 PHE A 119 ATOM 1983 N ASN B 169 -22.784 -11.515 -0.367 1.00 13.24 N ATOM 1984 CA ASN B 169 -23.380 -11.067 -1.634 1.00 62.13 C ATOM 1985 C ASN B 169 -24.577 -10.164 -1.355 1.00 64.34 C ATOM 1986 O ASN B 169 -24.525 -8.974 -1.665 1.00 60.13 O ATOM 1987 CB ASN B 169 -23.713 -12.252 -2.557 1.00 1.15 C ATOM 1988 CG ASN B 169 -24.195 -11.818 -3.933 1.00 44.31 C ATOM 1989 OD1 ASN B 169 -24.211 -10.640 -4.277 1.00 40.20 O ATOM 1990 ND2 ASN B 169 -24.620 -12.763 -4.752 1.00 51.14 N ATOM 0 HA ASN B 169 -22.647 -10.473 -2.181 1.00 62.13 H new ATOM 0 HB2 ASN B 169 -22.828 -12.878 -2.669 1.00 1.15 H new ATOM 0 HB3 ASN B 169 -24.480 -12.867 -2.087 1.00 1.15 H new ATOM 0 HD21 ASN B 169 -24.965 -12.517 -5.680 1.00 51.14 H new ATOM 0 HD22 ASN B 169 -24.603 -13.739 -4.457 1.00 51.14 H new HETATM 1997 N SEP B 170 -25.648 -10.698 -0.763 1.00 22.43 N HETATM 1998 CA SEP B 170 -26.861 -9.953 -0.436 1.00 23.43 C HETATM 1999 CB SEP B 170 -27.886 -10.937 0.127 1.00 41.34 C HETATM 2000 OG SEP B 170 -28.091 -11.983 -0.804 1.00 12.42 O HETATM 2001 C SEP B 170 -26.634 -8.835 0.582 1.00 72.13 C HETATM 2002 O SEP B 170 -27.406 -7.874 0.593 1.00 15.11 O HETATM 2003 P SEP B 170 -28.694 -13.378 -0.324 1.00 24.12 P HETATM 2004 O1P SEP B 170 -27.572 -13.954 0.447 1.00 14.41 O HETATM 2005 O2P SEP B 170 -29.878 -13.020 0.477 1.00 64.40 O HETATM 2006 O3P SEP B 170 -28.963 -14.060 -1.602 1.00 31.32 O HETATM 0 HB3 SEP B 170 -27.535 -11.343 1.076 1.00 41.34 H new HETATM 0 HB2 SEP B 170 -28.827 -10.424 0.328 1.00 41.34 H new HETATM 0 HA SEP B 170 -27.209 -9.475 -1.352 1.00 23.43 H new HETATM 0 H SEP B 170 -25.608 -11.704 -0.600 1.00 22.43 H new HETATM 2011 N SEP B 171 -25.626 -8.969 1.439 1.00 71.34 N HETATM 2012 CA SEP B 171 -25.255 -8.015 2.469 1.00 60.01 C HETATM 2013 CB SEP B 171 -25.373 -8.698 3.839 1.00 21.23 C HETATM 2014 OG SEP B 171 -26.487 -9.579 3.883 1.00 41.43 O HETATM 2015 C SEP B 171 -23.817 -7.565 2.196 1.00 35.43 C HETATM 2016 O SEP B 171 -23.091 -8.217 1.433 1.00 20.23 O HETATM 2017 P SEP B 171 -26.717 -10.566 5.107 1.00 14.35 P HETATM 2018 O1P SEP B 171 -25.413 -11.249 5.263 1.00 1.42 O HETATM 2019 O2P SEP B 171 -27.097 -9.656 6.204 1.00 2.32 O HETATM 2020 O3P SEP B 171 -27.794 -11.445 4.616 1.00 54.44 O HETATM 0 HB3 SEP B 171 -24.459 -9.253 4.051 1.00 21.23 H new HETATM 0 HB2 SEP B 171 -25.474 -7.942 4.617 1.00 21.23 H new HETATM 0 HA SEP B 171 -25.910 -7.143 2.464 1.00 60.01 H new ATOM 2025 N GLY B 172 -23.335 -6.548 2.906 1.00 24.11 N ATOM 2026 CA GLY B 172 -21.981 -6.057 2.734 1.00 2.33 C ATOM 2027 C GLY B 172 -21.638 -5.047 3.815 1.00 53.24 C ATOM 2028 O GLY B 172 -22.529 -4.427 4.399 1.00 4.23 O ATOM 0 H GLY B 172 -23.874 -6.047 3.612 1.00 24.11 H new ATOM 0 HA2 GLY B 172 -21.279 -6.890 2.771 1.00 2.33 H new ATOM 0 HA3 GLY B 172 -21.877 -5.596 1.752 1.00 2.33 H new HETATM 2032 N SEP B 173 -20.339 -4.893 4.055 1.00 12.44 N HETATM 2033 CA SEP B 173 -19.726 -3.992 5.019 1.00 2.54 C HETATM 2034 CB SEP B 173 -19.640 -4.665 6.396 1.00 13.51 C HETATM 2035 OG SEP B 173 -20.905 -5.099 6.866 1.00 3.23 O HETATM 2036 C SEP B 173 -18.308 -3.699 4.547 1.00 22.25 C HETATM 2037 O SEP B 173 -17.810 -4.351 3.620 1.00 13.33 O HETATM 2038 P SEP B 173 -21.820 -4.142 7.769 1.00 12.53 P HETATM 2039 O1P SEP B 173 -23.108 -4.865 7.823 1.00 33.14 O HETATM 2040 O2P SEP B 173 -21.071 -4.101 9.036 1.00 53.20 O HETATM 2041 O3P SEP B 173 -21.861 -2.849 7.052 1.00 74.00 O HETATM 0 HB3 SEP B 173 -18.965 -5.519 6.339 1.00 13.51 H new HETATM 0 HB2 SEP B 173 -19.210 -3.966 7.113 1.00 13.51 H new HETATM 0 HA SEP B 173 -20.321 -3.082 5.098 1.00 2.54 H new HETATM 2046 N SEP B 174 -17.694 -2.647 5.069 1.00 73.33 N HETATM 2047 CA SEP B 174 -16.328 -2.289 4.729 1.00 20.32 C HETATM 2048 CB SEP B 174 -16.227 -0.823 4.322 1.00 32.35 C HETATM 2049 OG SEP B 174 -17.060 -0.642 3.185 1.00 11.51 O HETATM 2050 C SEP B 174 -15.544 -2.696 5.967 1.00 55.53 C HETATM 2051 O SEP B 174 -15.675 -2.048 7.008 1.00 43.50 O HETATM 2052 P SEP B 174 -17.035 0.715 2.349 1.00 34.44 P HETATM 2053 O1P SEP B 174 -15.663 0.749 1.808 1.00 54.44 O HETATM 2054 O2P SEP B 174 -18.086 0.474 1.338 1.00 20.01 O HETATM 2055 O3P SEP B 174 -17.335 1.753 3.348 1.00 73.02 O HETATM 0 HB3 SEP B 174 -16.545 -0.175 5.138 1.00 32.35 H new HETATM 0 HB2 SEP B 174 -15.195 -0.559 4.089 1.00 32.35 H new HETATM 0 HA SEP B 174 -15.925 -2.792 3.850 1.00 20.32 H new ATOM 2060 N GLU B 175 -15.267 -4.000 5.985 1.00 4.11 N ATOM 2061 CA GLU B 175 -14.544 -4.681 7.048 1.00 2.11 C ATOM 2062 C GLU B 175 -13.091 -4.193 7.076 1.00 13.25 C ATOM 2063 O GLU B 175 -12.716 -3.331 6.281 1.00 20.41 O ATOM 2064 CB GLU B 175 -14.666 -6.203 6.819 1.00 63.23 C ATOM 2065 CG GLU B 175 -13.913 -6.721 5.576 1.00 13.13 C ATOM 2066 CD GLU B 175 -14.591 -7.932 4.923 1.00 12.12 C ATOM 2067 OE1 GLU B 175 -14.681 -9.023 5.534 1.00 33.25 O ATOM 2068 OE2 GLU B 175 -15.056 -7.820 3.764 1.00 42.22 O ATOM 0 H GLU B 175 -15.551 -4.628 5.233 1.00 4.11 H new ATOM 0 HA GLU B 175 -14.967 -4.454 8.027 1.00 2.11 H new ATOM 0 HB2 GLU B 175 -14.289 -6.722 7.700 1.00 63.23 H new ATOM 0 HB3 GLU B 175 -15.721 -6.461 6.724 1.00 63.23 H new ATOM 0 HG2 GLU B 175 -13.836 -5.917 4.844 1.00 13.13 H new ATOM 0 HG3 GLU B 175 -12.896 -6.991 5.861 1.00 13.13 H new ATOM 2075 N ASP B 176 -12.274 -4.712 7.997 1.00 15.44 N ATOM 2076 CA ASP B 176 -10.863 -4.343 8.107 1.00 0.33 C ATOM 2077 C ASP B 176 -10.228 -4.677 6.749 1.00 33.15 C ATOM 2078 O ASP B 176 -10.082 -5.848 6.392 1.00 41.21 O ATOM 2079 CB ASP B 176 -10.218 -5.016 9.336 1.00 53.11 C ATOM 2080 CG ASP B 176 -9.221 -6.129 9.020 1.00 35.32 C ATOM 2081 OD1 ASP B 176 -8.017 -5.818 8.864 1.00 35.24 O ATOM 2082 OD2 ASP B 176 -9.634 -7.309 8.976 1.00 12.11 O ATOM 0 H ASP B 176 -12.574 -5.400 8.687 1.00 15.44 H new ATOM 0 HA ASP B 176 -10.707 -3.281 8.298 1.00 0.33 H new ATOM 0 HB2 ASP B 176 -9.710 -4.252 9.924 1.00 53.11 H new ATOM 0 HB3 ASP B 176 -11.010 -5.427 9.963 1.00 53.11 H new HETATM 2087 N SEP B 177 -9.856 -3.658 5.975 1.00 21.45 N HETATM 2088 CA SEP B 177 -9.303 -3.815 4.639 1.00 32.31 C HETATM 2089 CB SEP B 177 -10.310 -3.207 3.651 1.00 20.01 C HETATM 2090 OG SEP B 177 -11.398 -4.063 3.337 1.00 3.25 O HETATM 2091 C SEP B 177 -7.943 -3.161 4.460 1.00 64.22 C HETATM 2092 O SEP B 177 -7.022 -3.820 3.967 1.00 1.53 O HETATM 2093 P SEP B 177 -12.546 -3.532 2.350 1.00 15.52 P HETATM 2094 O1P SEP B 177 -13.054 -2.315 3.002 1.00 3.25 O HETATM 2095 O2P SEP B 177 -11.782 -3.325 1.101 1.00 0.35 O HETATM 2096 O3P SEP B 177 -13.498 -4.656 2.268 1.00 53.32 O HETATM 0 HB3 SEP B 177 -10.700 -2.279 4.070 1.00 20.01 H new HETATM 0 HB2 SEP B 177 -9.788 -2.946 2.730 1.00 20.01 H new HETATM 0 HA SEP B 177 -9.143 -4.878 4.460 1.00 32.31 H new ATOM 2101 N PHE B 178 -7.870 -1.844 4.607 1.00 35.32 N ATOM 2102 CA PHE B 178 -6.647 -1.088 4.430 1.00 2.35 C ATOM 2103 C PHE B 178 -5.867 -1.056 5.741 1.00 60.02 C ATOM 2104 O PHE B 178 -6.390 -1.388 6.802 1.00 12.55 O ATOM 2105 CB PHE B 178 -7.000 0.329 3.941 1.00 31.21 C ATOM 2106 CG PHE B 178 -7.561 0.412 2.524 1.00 4.31 C ATOM 2107 CD1 PHE B 178 -8.834 -0.108 2.219 1.00 60.22 C ATOM 2108 CD2 PHE B 178 -6.832 1.060 1.506 1.00 52.22 C ATOM 2109 CE1 PHE B 178 -9.343 -0.034 0.911 1.00 34.02 C ATOM 2110 CE2 PHE B 178 -7.365 1.185 0.211 1.00 53.53 C ATOM 2111 CZ PHE B 178 -8.619 0.628 -0.093 1.00 64.40 C ATOM 0 H PHE B 178 -8.673 -1.267 4.856 1.00 35.32 H new ATOM 0 HA PHE B 178 -6.012 -1.561 3.681 1.00 2.35 H new ATOM 0 HB2 PHE B 178 -7.728 0.761 4.628 1.00 31.21 H new ATOM 0 HB3 PHE B 178 -6.104 0.948 3.996 1.00 31.21 H new ATOM 0 HD1 PHE B 178 -9.425 -0.568 2.998 1.00 60.22 H new ATOM 0 HD2 PHE B 178 -5.854 1.464 1.723 1.00 52.22 H new ATOM 0 HE1 PHE B 178 -10.295 -0.488 0.678 1.00 34.02 H new ATOM 0 HE2 PHE B 178 -6.810 1.710 -0.552 1.00 53.53 H new ATOM 0 HZ PHE B 178 -9.023 0.709 -1.092 1.00 64.40 H new ATOM 2121 N VAL B 179 -4.601 -0.655 5.670 1.00 14.11 N ATOM 2122 CA VAL B 179 -3.727 -0.538 6.817 1.00 11.13 C ATOM 2123 C VAL B 179 -3.363 0.941 6.851 1.00 33.33 C ATOM 2124 O VAL B 179 -2.506 1.419 6.094 1.00 32.32 O ATOM 2125 CB VAL B 179 -2.476 -1.426 6.664 1.00 40.13 C ATOM 2126 CG1 VAL B 179 -1.753 -1.516 8.005 1.00 71.20 C ATOM 2127 CG2 VAL B 179 -2.692 -2.875 6.241 1.00 64.21 C ATOM 0 H VAL B 179 -4.151 -0.398 4.791 1.00 14.11 H new ATOM 0 HA VAL B 179 -4.201 -0.871 7.740 1.00 11.13 H new ATOM 0 HB VAL B 179 -1.928 -0.930 5.863 1.00 40.13 H new ATOM 0 HG11 VAL B 179 -0.868 -2.143 7.900 1.00 71.20 H new ATOM 0 HG12 VAL B 179 -1.454 -0.518 8.325 1.00 71.20 H new ATOM 0 HG13 VAL B 179 -2.420 -1.951 8.749 1.00 71.20 H new ATOM 0 HG21 VAL B 179 -1.729 -3.382 6.173 1.00 64.21 H new ATOM 0 HG22 VAL B 179 -3.316 -3.380 6.978 1.00 64.21 H new ATOM 0 HG23 VAL B 179 -3.185 -2.901 5.269 1.00 64.21 H new ATOM 2137 N GLU B 180 -3.989 1.694 7.743 1.00 72.21 N ATOM 2138 CA GLU B 180 -3.704 3.112 7.860 1.00 42.53 C ATOM 2139 C GLU B 180 -2.417 3.298 8.661 1.00 62.04 C ATOM 2140 O GLU B 180 -2.081 2.469 9.518 1.00 33.21 O ATOM 2141 CB GLU B 180 -4.911 3.841 8.460 1.00 3.23 C ATOM 2142 CG GLU B 180 -5.128 3.497 9.936 1.00 63.12 C ATOM 2143 CD GLU B 180 -6.583 3.690 10.342 1.00 33.42 C ATOM 2144 OE1 GLU B 180 -6.916 4.808 10.788 1.00 21.35 O ATOM 2145 OE2 GLU B 180 -7.353 2.702 10.247 1.00 43.30 O ATOM 0 H GLU B 180 -4.694 1.347 8.393 1.00 72.21 H new ATOM 0 HA GLU B 180 -3.538 3.558 6.879 1.00 42.53 H new ATOM 0 HB2 GLU B 180 -4.769 4.917 8.358 1.00 3.23 H new ATOM 0 HB3 GLU B 180 -5.806 3.582 7.894 1.00 3.23 H new ATOM 0 HG2 GLU B 180 -4.832 2.464 10.118 1.00 63.12 H new ATOM 0 HG3 GLU B 180 -4.489 4.126 10.556 1.00 63.12 H new ATOM 2152 N ILE B 181 -1.718 4.414 8.447 1.00 53.50 N ATOM 2153 CA ILE B 181 -0.486 4.631 9.198 1.00 65.02 C ATOM 2154 C ILE B 181 -0.819 5.060 10.634 1.00 31.03 C ATOM 2155 O ILE B 181 -1.863 5.645 10.919 1.00 61.11 O ATOM 2156 CB ILE B 181 0.383 5.671 8.455 1.00 50.14 C ATOM 2157 CG1 ILE B 181 0.978 4.969 7.208 1.00 33.13 C ATOM 2158 CG2 ILE B 181 1.459 6.314 9.351 1.00 34.05 C ATOM 2159 CD1 ILE B 181 2.179 5.684 6.600 1.00 30.35 C ATOM 0 H ILE B 181 -1.971 5.151 7.789 1.00 53.50 H new ATOM 0 HA ILE B 181 0.088 3.707 9.267 1.00 65.02 H new ATOM 0 HB ILE B 181 -0.236 6.514 8.148 1.00 50.14 H new ATOM 0 HG12 ILE B 181 1.273 3.956 7.482 1.00 33.13 H new ATOM 0 HG13 ILE B 181 0.200 4.880 6.450 1.00 33.13 H new ATOM 0 HG21 ILE B 181 2.034 7.034 8.769 1.00 34.05 H new ATOM 0 HG22 ILE B 181 0.980 6.823 10.187 1.00 34.05 H new ATOM 0 HG23 ILE B 181 2.126 5.540 9.732 1.00 34.05 H new ATOM 0 HD11 ILE B 181 2.533 5.127 5.733 1.00 30.35 H new ATOM 0 HD12 ILE B 181 1.887 6.688 6.292 1.00 30.35 H new ATOM 0 HD13 ILE B 181 2.977 5.749 7.340 1.00 30.35 H new ATOM 2171 N ARG B 182 0.075 4.701 11.562 1.00 34.24 N ATOM 2172 CA ARG B 182 -0.018 5.036 12.978 1.00 71.34 C ATOM 2173 C ARG B 182 0.466 6.482 13.077 1.00 33.23 C ATOM 2174 O ARG B 182 1.671 6.760 13.072 1.00 34.21 O ATOM 2175 CB ARG B 182 0.830 4.081 13.820 1.00 34.33 C ATOM 2176 CG ARG B 182 0.110 2.788 14.251 1.00 23.44 C ATOM 2177 CD ARG B 182 -0.119 1.767 13.126 1.00 14.55 C ATOM 2178 NE ARG B 182 -0.554 0.459 13.650 1.00 75.43 N ATOM 2179 CZ ARG B 182 -1.750 0.131 14.160 1.00 75.00 C ATOM 2180 NH1 ARG B 182 -2.744 1.010 14.206 1.00 51.33 N ATOM 2181 NH2 ARG B 182 -1.963 -1.091 14.634 1.00 53.21 N ATOM 0 H ARG B 182 0.906 4.153 11.337 1.00 34.24 H new ATOM 0 HA ARG B 182 -1.032 4.936 13.364 1.00 71.34 H new ATOM 0 HB2 ARG B 182 1.721 3.812 13.253 1.00 34.33 H new ATOM 0 HB3 ARG B 182 1.167 4.608 14.713 1.00 34.33 H new ATOM 0 HG2 ARG B 182 0.692 2.312 15.040 1.00 23.44 H new ATOM 0 HG3 ARG B 182 -0.855 3.054 14.682 1.00 23.44 H new ATOM 0 HD2 ARG B 182 -0.871 2.150 12.436 1.00 14.55 H new ATOM 0 HD3 ARG B 182 0.802 1.642 12.556 1.00 14.55 H new ATOM 0 HE ARG B 182 0.140 -0.288 13.621 1.00 75.43 H new ATOM 0 HH11 ARG B 182 -2.606 1.955 13.849 1.00 51.33 H new ATOM 0 HH12 ARG B 182 -3.646 0.740 14.598 1.00 51.33 H new ATOM 0 HH21 ARG B 182 -1.215 -1.784 14.611 1.00 53.21 H new ATOM 0 HH22 ARG B 182 -2.874 -1.336 15.021 1.00 53.21 H new ATOM 2195 N MET B 183 -0.501 7.383 13.084 1.00 41.21 N ATOM 2196 CA MET B 183 -0.412 8.845 13.146 1.00 24.43 C ATOM 2197 C MET B 183 -1.648 9.400 13.867 1.00 14.45 C ATOM 2198 O MET B 183 -2.505 8.620 14.297 1.00 23.44 O ATOM 2199 CB MET B 183 -0.301 9.405 11.713 1.00 2.31 C ATOM 2200 CG MET B 183 -1.390 8.840 10.784 1.00 53.31 C ATOM 2201 SD MET B 183 -2.192 9.986 9.639 1.00 70.12 S ATOM 2202 CE MET B 183 -2.960 11.181 10.753 1.00 53.44 C ATOM 0 H MET B 183 -1.475 7.083 13.042 1.00 41.21 H new ATOM 0 HA MET B 183 0.473 9.149 13.705 1.00 24.43 H new ATOM 0 HB2 MET B 183 -0.378 10.492 11.742 1.00 2.31 H new ATOM 0 HB3 MET B 183 0.682 9.166 11.306 1.00 2.31 H new ATOM 0 HG2 MET B 183 -0.947 8.035 10.198 1.00 53.31 H new ATOM 0 HG3 MET B 183 -2.164 8.392 11.407 1.00 53.31 H new ATOM 0 HE1 MET B 183 -3.915 11.503 10.339 1.00 53.44 H new ATOM 0 HE2 MET B 183 -3.124 10.718 11.726 1.00 53.44 H new ATOM 0 HE3 MET B 183 -2.305 12.045 10.868 1.00 53.44 H new ATOM 2212 N ALA B 184 -1.747 10.718 14.051 1.00 23.15 N ATOM 2213 CA ALA B 184 -2.877 11.369 14.703 1.00 33.45 C ATOM 2214 C ALA B 184 -3.246 12.623 13.914 1.00 72.21 C ATOM 2215 O ALA B 184 -2.437 13.140 13.138 1.00 65.12 O ATOM 2216 CB ALA B 184 -2.521 11.713 16.153 1.00 3.51 C ATOM 0 H ALA B 184 -1.028 11.373 13.744 1.00 23.15 H new ATOM 0 HA ALA B 184 -3.735 10.697 14.723 1.00 33.45 H new ATOM 0 HB1 ALA B 184 -3.372 12.199 16.631 1.00 3.51 H new ATOM 0 HB2 ALA B 184 -2.274 10.799 16.694 1.00 3.51 H new ATOM 0 HB3 ALA B 184 -1.664 12.386 16.167 1.00 3.51 H new ATOM 2222 N GLU B 185 -4.486 13.079 14.067 1.00 43.42 N ATOM 2223 CA GLU B 185 -4.965 14.272 13.386 1.00 30.12 C ATOM 2224 C GLU B 185 -4.214 15.465 13.964 1.00 62.44 C ATOM 2225 O GLU B 185 -4.072 15.532 15.201 1.00 32.12 O ATOM 2226 CB GLU B 185 -6.495 14.351 13.503 1.00 14.52 C ATOM 2227 CG GLU B 185 -7.154 15.572 12.831 1.00 74.42 C ATOM 2228 CD GLU B 185 -7.079 16.860 13.657 1.00 5.11 C ATOM 2229 OE1 GLU B 185 -7.574 16.849 14.806 1.00 30.05 O ATOM 2230 OE2 GLU B 185 -6.542 17.874 13.158 1.00 62.04 O ATOM 0 H GLU B 185 -5.182 12.633 14.664 1.00 43.42 H new ATOM 0 HA GLU B 185 -4.764 14.255 12.315 1.00 30.12 H new ATOM 0 HB2 GLU B 185 -6.921 13.446 13.069 1.00 14.52 H new ATOM 0 HB3 GLU B 185 -6.761 14.354 14.560 1.00 14.52 H new ATOM 0 HG2 GLU B 185 -6.676 15.744 11.867 1.00 74.42 H new ATOM 0 HG3 GLU B 185 -8.201 15.342 12.632 1.00 74.42 H new TER 2237 GLU B 185