USER MOD reduce.3.24.130724 H: found=0, std=0, add=1247, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1248 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 143 THR OG1 : rot -30:sc= 0.132 USER MOD Set 1.2: A 144 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 103 GLN : amide:sc= 0.161 K(o=-1.9,f=-7.2!) USER MOD Set 2.2: A 117 GLN : amide:sc= -2.04! C(o=-1.9!,f=-7.5!) USER MOD Set 3.1: A 101 TYR OH : rot 141:sc= -2.81! USER MOD Set 3.2: A 160 GLN : amide:sc= 0 X(o=-2.8,f=-2.9) USER MOD Set 4.1: A 80 ASN : amide:sc= -0.577 X(o=-0.58,f=-0.08) USER MOD Set 4.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 45 CYS SG : rot -10:sc= -2.34 USER MOD Set 5.2: A 165 HIS : no HD1:sc= -0.396 K(o=-2.7,f=-1.9) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.338 USER MOD Single : A 22 SER OG : rot 170:sc= -0.357 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 127:sc= -0.157 (180deg=-0.904) USER MOD Single : A 29 GLN : amide:sc= -4.49! C(o=-4.5!,f=-17!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -62:sc= 0.282 USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 47 LYS NZ :NH3+ 144:sc= -0.147 (180deg=-1.14) USER MOD Single : A 48 SER OG : rot -67:sc= 0.0453 USER MOD Single : A 49 ASN : amide:sc= -0.516 K(o=-0.52,f=0.097) USER MOD Single : A 50 MET CE :methyl 159:sc= -2.14 (180deg=-3.37) USER MOD Single : A 62 ASN : amide:sc= -0.666 K(o=-0.67,f=-3.6!) USER MOD Single : A 64 ASN : amide:sc=-0.00493 K(o=-0.0049,f=-0.6) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -145:sc= -2.29! (180deg=-4.34!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot -15:sc= -1.3! USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= -1.32 USER MOD Single : A 112 GLN : amide:sc= -4.39! K(o=-4.4!,f=-2.6) USER MOD Single : A 118 MET CE :methyl 162:sc= -0.0613 (180deg=-0.205) USER MOD Single : A 119 SER OG : rot -150:sc= 0 USER MOD Single : A 120 THR OG1 : rot 120:sc= -2.37! USER MOD Single : A 121 LYS NZ :NH3+ 160:sc= -0.0237 (180deg=-0.467) USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 GLN : amide:sc= -0.31 X(o=-0.31,f=-0.0091) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ -166:sc= 0.321 (180deg=0.131) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 138 THR OG1 : rot 61:sc= -0.0825! USER MOD Single : A 139 THR OG1 : rot -170:sc= -2.46! USER MOD Single : A 145 ASN : amide:sc= -8.11! C(o=-8.1!,f=-3.6!) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 GLN : amide:sc= -0.17 K(o=-0.17,f=-0.95) USER MOD Single : A 155 GLN : amide:sc= -1.98! C(o=-2!,f=-2.5!) USER MOD Single : A 156 ASN : amide:sc= -0.378 K(o=-0.38,f=-2.5!) USER MOD Single : A 157 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.026) USER MOD Single : A 162 MET CE :methyl -118:sc= -8.59! (180deg=-14!) USER MOD Single : A 163 THR OG1 : rot 180:sc= 0.00174 USER MOD Single : A 164 THR OG1 : rot 33:sc= 0.515 USER MOD Single : A 170 SER OG : rot -170:sc= -0.163 USER MOD Single : A 172 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.214) USER MOD Single : A 176 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 177 SER OG : rot -120:sc= 0.968 USER MOD Single : A 178 SER OG : rot -174:sc= -2.12! USER MOD Single : A 184 GLN : amide:sc= -0.05 X(o=-0.05,f=-0.031) USER MOD Single : A 185 MET CE :methyl -120:sc= -1.1 (180deg=-4.87!) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 21 19.793 12.413 1.555 1.00 0.96 N ATOM 21 CA THR A 21 20.301 11.457 0.531 1.00 0.96 C ATOM 22 C THR A 21 19.124 10.885 -0.263 1.00 0.86 C ATOM 23 O THR A 21 17.975 11.116 0.058 1.00 0.74 O ATOM 24 CB THR A 21 21.050 10.317 1.225 1.00 0.94 C ATOM 25 OG1 THR A 21 21.482 9.378 0.250 1.00 0.93 O ATOM 26 CG2 THR A 21 20.122 9.627 2.228 1.00 0.70 C ATOM 0 HA THR A 21 20.978 11.977 -0.147 1.00 0.96 H new ATOM 0 HB THR A 21 21.915 10.718 1.754 1.00 0.94 H new ATOM 0 HG1 THR A 21 21.964 8.647 0.691 1.00 0.93 H new ATOM 0 HG21 THR A 21 20.658 8.816 2.721 1.00 0.70 H new ATOM 0 HG22 THR A 21 19.791 10.349 2.974 1.00 0.70 H new ATOM 0 HG23 THR A 21 19.255 9.224 1.704 1.00 0.70 H new ATOM 34 N SER A 22 19.405 10.139 -1.297 1.00 0.93 N ATOM 35 CA SER A 22 18.306 9.551 -2.114 1.00 0.87 C ATOM 36 C SER A 22 17.367 8.754 -1.206 1.00 0.70 C ATOM 37 O SER A 22 16.164 8.767 -1.375 1.00 0.61 O ATOM 38 CB SER A 22 18.901 8.627 -3.177 1.00 1.01 C ATOM 39 OG SER A 22 17.989 8.509 -4.262 1.00 1.03 O ATOM 0 H SER A 22 20.348 9.912 -1.611 1.00 0.93 H new ATOM 0 HA SER A 22 17.746 10.349 -2.601 1.00 0.87 H new ATOM 0 HB2 SER A 22 19.853 9.024 -3.529 1.00 1.01 H new ATOM 0 HB3 SER A 22 19.104 7.645 -2.749 1.00 1.01 H new ATOM 0 HG SER A 22 18.428 8.053 -5.010 1.00 1.03 H new ATOM 45 N SER A 23 17.907 8.062 -0.240 1.00 0.67 N ATOM 46 CA SER A 23 17.043 7.272 0.681 1.00 0.55 C ATOM 47 C SER A 23 16.148 8.229 1.469 1.00 0.39 C ATOM 48 O SER A 23 14.966 7.997 1.632 1.00 0.29 O ATOM 49 CB SER A 23 17.923 6.483 1.647 1.00 0.59 C ATOM 50 OG SER A 23 17.158 5.437 2.232 1.00 0.31 O ATOM 0 H SER A 23 18.908 8.010 -0.049 1.00 0.67 H new ATOM 0 HA SER A 23 16.425 6.581 0.108 1.00 0.55 H new ATOM 0 HB2 SER A 23 18.782 6.069 1.119 1.00 0.59 H new ATOM 0 HB3 SER A 23 18.313 7.142 2.423 1.00 0.59 H new ATOM 0 HG SER A 23 17.721 4.927 2.852 1.00 0.31 H new ATOM 56 N GLU A 24 16.698 9.307 1.954 1.00 0.42 N ATOM 57 CA GLU A 24 15.869 10.275 2.722 1.00 0.36 C ATOM 58 C GLU A 24 14.729 10.760 1.830 1.00 0.34 C ATOM 59 O GLU A 24 13.649 11.066 2.294 1.00 0.30 O ATOM 60 CB GLU A 24 16.730 11.463 3.153 1.00 0.51 C ATOM 61 CG GLU A 24 16.575 11.680 4.659 1.00 0.89 C ATOM 62 CD GLU A 24 15.131 12.080 4.974 1.00 1.81 C ATOM 63 OE1 GLU A 24 14.473 12.595 4.085 1.00 2.45 O ATOM 64 OE2 GLU A 24 14.709 11.864 6.099 1.00 2.37 O ATOM 0 H GLU A 24 17.681 9.558 1.852 1.00 0.42 H new ATOM 0 HA GLU A 24 15.463 9.793 3.611 1.00 0.36 H new ATOM 0 HB2 GLU A 24 17.775 11.278 2.906 1.00 0.51 H new ATOM 0 HB3 GLU A 24 16.429 12.360 2.612 1.00 0.51 H new ATOM 0 HG2 GLU A 24 16.836 10.769 5.197 1.00 0.89 H new ATOM 0 HG3 GLU A 24 17.260 12.457 4.997 1.00 0.89 H new ATOM 71 N ARG A 25 14.957 10.816 0.546 1.00 0.38 N ATOM 72 CA ARG A 25 13.880 11.263 -0.376 1.00 0.37 C ATOM 73 C ARG A 25 12.836 10.152 -0.473 1.00 0.28 C ATOM 74 O ARG A 25 11.655 10.403 -0.595 1.00 0.30 O ATOM 75 CB ARG A 25 14.469 11.545 -1.759 1.00 0.44 C ATOM 76 CG ARG A 25 14.767 13.039 -1.886 1.00 0.78 C ATOM 77 CD ARG A 25 16.026 13.238 -2.732 1.00 1.04 C ATOM 78 NE ARG A 25 15.915 14.511 -3.498 1.00 1.29 N ATOM 79 CZ ARG A 25 16.669 14.710 -4.544 1.00 1.23 C ATOM 80 NH1 ARG A 25 16.510 13.976 -5.612 1.00 1.41 N ATOM 81 NH2 ARG A 25 17.584 15.640 -4.521 1.00 2.18 N ATOM 0 H ARG A 25 15.841 10.572 0.099 1.00 0.38 H new ATOM 0 HA ARG A 25 13.419 12.176 0.000 1.00 0.37 H new ATOM 0 HB2 ARG A 25 15.382 10.967 -1.903 1.00 0.44 H new ATOM 0 HB3 ARG A 25 13.769 11.235 -2.535 1.00 0.44 H new ATOM 0 HG2 ARG A 25 13.922 13.551 -2.346 1.00 0.78 H new ATOM 0 HG3 ARG A 25 14.907 13.478 -0.898 1.00 0.78 H new ATOM 0 HD2 ARG A 25 16.907 13.263 -2.091 1.00 1.04 H new ATOM 0 HD3 ARG A 25 16.153 12.399 -3.417 1.00 1.04 H new ATOM 0 HE ARG A 25 15.250 15.227 -3.205 1.00 1.29 H new ATOM 0 HH11 ARG A 25 15.796 13.247 -5.628 1.00 1.41 H new ATOM 0 HH12 ARG A 25 17.099 14.131 -6.430 1.00 1.41 H new ATOM 0 HH21 ARG A 25 17.710 16.211 -3.685 1.00 2.18 H new ATOM 0 HH22 ARG A 25 18.174 15.796 -5.339 1.00 2.18 H new ATOM 95 N ILE A 26 13.267 8.921 -0.396 1.00 0.25 N ATOM 96 CA ILE A 26 12.305 7.787 -0.458 1.00 0.23 C ATOM 97 C ILE A 26 11.279 7.961 0.670 1.00 0.16 C ATOM 98 O ILE A 26 10.086 7.826 0.471 1.00 0.19 O ATOM 99 CB ILE A 26 13.071 6.468 -0.268 1.00 0.38 C ATOM 100 CG1 ILE A 26 13.962 6.205 -1.497 1.00 0.80 C ATOM 101 CG2 ILE A 26 12.090 5.304 -0.073 1.00 0.17 C ATOM 102 CD1 ILE A 26 13.115 5.832 -2.724 1.00 0.87 C ATOM 0 H ILE A 26 14.246 8.653 -0.293 1.00 0.25 H new ATOM 0 HA ILE A 26 11.795 7.769 -1.421 1.00 0.23 H new ATOM 0 HB ILE A 26 13.697 6.548 0.621 1.00 0.38 H new ATOM 0 HG12 ILE A 26 14.555 7.093 -1.717 1.00 0.80 H new ATOM 0 HG13 ILE A 26 14.663 5.400 -1.276 1.00 0.80 H new ATOM 0 HG21 ILE A 26 12.647 4.377 0.060 1.00 0.17 H new ATOM 0 HG22 ILE A 26 11.477 5.489 0.809 1.00 0.17 H new ATOM 0 HG23 ILE A 26 11.448 5.219 -0.950 1.00 0.17 H new ATOM 0 HD11 ILE A 26 13.770 5.652 -3.577 1.00 0.87 H new ATOM 0 HD12 ILE A 26 12.542 4.930 -2.510 1.00 0.87 H new ATOM 0 HD13 ILE A 26 12.432 6.649 -2.957 1.00 0.87 H new ATOM 114 N ASP A 27 11.743 8.258 1.855 1.00 0.11 N ATOM 115 CA ASP A 27 10.812 8.441 3.005 1.00 0.10 C ATOM 116 C ASP A 27 9.873 9.619 2.736 1.00 0.12 C ATOM 117 O ASP A 27 8.692 9.557 3.016 1.00 0.15 O ATOM 118 CB ASP A 27 11.623 8.718 4.275 1.00 0.15 C ATOM 119 CG ASP A 27 10.673 8.919 5.456 1.00 0.37 C ATOM 120 OD1 ASP A 27 10.014 9.945 5.494 1.00 0.73 O ATOM 121 OD2 ASP A 27 10.621 8.043 6.304 1.00 1.04 O ATOM 0 H ASP A 27 12.731 8.382 2.076 1.00 0.11 H new ATOM 0 HA ASP A 27 10.221 7.535 3.134 1.00 0.10 H new ATOM 0 HB2 ASP A 27 12.298 7.886 4.476 1.00 0.15 H new ATOM 0 HB3 ASP A 27 12.241 9.605 4.138 1.00 0.15 H new ATOM 126 N LYS A 28 10.379 10.694 2.195 1.00 0.13 N ATOM 127 CA LYS A 28 9.504 11.861 1.919 1.00 0.14 C ATOM 128 C LYS A 28 8.490 11.478 0.838 1.00 0.12 C ATOM 129 O LYS A 28 7.434 12.070 0.729 1.00 0.22 O ATOM 130 CB LYS A 28 10.370 13.040 1.456 1.00 0.15 C ATOM 131 CG LYS A 28 9.483 14.181 0.953 1.00 0.99 C ATOM 132 CD LYS A 28 9.307 14.042 -0.557 1.00 1.74 C ATOM 133 CE LYS A 28 8.867 15.383 -1.149 1.00 2.35 C ATOM 134 NZ LYS A 28 9.951 16.393 -0.970 1.00 1.92 N ATOM 0 H LYS A 28 11.358 10.811 1.934 1.00 0.13 H new ATOM 0 HA LYS A 28 8.965 12.155 2.820 1.00 0.14 H new ATOM 0 HB2 LYS A 28 10.992 13.389 2.280 1.00 0.15 H new ATOM 0 HB3 LYS A 28 11.044 12.716 0.663 1.00 0.15 H new ATOM 0 HG2 LYS A 28 8.513 14.152 1.450 1.00 0.99 H new ATOM 0 HG3 LYS A 28 9.935 15.143 1.193 1.00 0.99 H new ATOM 0 HD2 LYS A 28 10.243 13.721 -1.014 1.00 1.74 H new ATOM 0 HD3 LYS A 28 8.565 13.275 -0.778 1.00 1.74 H new ATOM 0 HE2 LYS A 28 8.637 15.266 -2.208 1.00 2.35 H new ATOM 0 HE3 LYS A 28 7.954 15.725 -0.661 1.00 2.35 H new ATOM 0 HZ1 LYS A 28 10.174 16.829 -1.887 1.00 1.92 H new ATOM 0 HZ2 LYS A 28 9.635 17.128 -0.305 1.00 1.92 H new ATOM 0 HZ3 LYS A 28 10.801 15.927 -0.592 1.00 1.92 H new ATOM 148 N GLN A 29 8.794 10.488 0.044 1.00 0.07 N ATOM 149 CA GLN A 29 7.837 10.069 -1.014 1.00 0.12 C ATOM 150 C GLN A 29 6.686 9.308 -0.356 1.00 0.11 C ATOM 151 O GLN A 29 5.539 9.451 -0.732 1.00 0.13 O ATOM 152 CB GLN A 29 8.547 9.175 -2.033 1.00 0.22 C ATOM 153 CG GLN A 29 8.853 9.983 -3.296 1.00 0.19 C ATOM 154 CD GLN A 29 9.914 11.040 -2.985 1.00 1.36 C ATOM 155 OE1 GLN A 29 9.929 11.605 -1.910 1.00 2.61 O ATOM 156 NE2 GLN A 29 10.808 11.333 -3.888 1.00 1.71 N ATOM 0 H GLN A 29 9.662 9.953 0.083 1.00 0.07 H new ATOM 0 HA GLN A 29 7.449 10.944 -1.535 1.00 0.12 H new ATOM 0 HB2 GLN A 29 9.470 8.782 -1.607 1.00 0.22 H new ATOM 0 HB3 GLN A 29 7.920 8.318 -2.280 1.00 0.22 H new ATOM 0 HG2 GLN A 29 9.206 9.321 -4.087 1.00 0.19 H new ATOM 0 HG3 GLN A 29 7.945 10.462 -3.662 1.00 0.19 H new ATOM 0 HE21 GLN A 29 10.795 10.859 -4.791 1.00 1.71 H new ATOM 0 HE22 GLN A 29 11.520 12.037 -3.691 1.00 1.71 H new ATOM 165 N ILE A 30 6.975 8.516 0.646 1.00 0.14 N ATOM 166 CA ILE A 30 5.880 7.778 1.338 1.00 0.23 C ATOM 167 C ILE A 30 4.963 8.807 1.993 1.00 0.17 C ATOM 168 O ILE A 30 3.763 8.642 2.051 1.00 0.17 O ATOM 169 CB ILE A 30 6.446 6.867 2.430 1.00 0.45 C ATOM 170 CG1 ILE A 30 7.563 5.969 1.864 1.00 0.64 C ATOM 171 CG2 ILE A 30 5.321 6.014 3.010 1.00 0.45 C ATOM 172 CD1 ILE A 30 6.971 4.823 1.032 1.00 0.38 C ATOM 0 H ILE A 30 7.913 8.351 1.011 1.00 0.14 H new ATOM 0 HA ILE A 30 5.343 7.165 0.614 1.00 0.23 H new ATOM 0 HB ILE A 30 6.876 7.483 3.220 1.00 0.45 H new ATOM 0 HG12 ILE A 30 8.236 6.563 1.246 1.00 0.64 H new ATOM 0 HG13 ILE A 30 8.158 5.562 2.682 1.00 0.64 H new ATOM 0 HG21 ILE A 30 5.721 5.364 3.788 1.00 0.45 H new ATOM 0 HG22 ILE A 30 4.556 6.662 3.437 1.00 0.45 H new ATOM 0 HG23 ILE A 30 4.881 5.406 2.220 1.00 0.45 H new ATOM 0 HD11 ILE A 30 7.778 4.202 0.642 1.00 0.38 H new ATOM 0 HD12 ILE A 30 6.318 4.217 1.660 1.00 0.38 H new ATOM 0 HD13 ILE A 30 6.397 5.235 0.202 1.00 0.38 H new ATOM 184 N ARG A 31 5.533 9.878 2.484 1.00 0.22 N ATOM 185 CA ARG A 31 4.715 10.934 3.134 1.00 0.35 C ATOM 186 C ARG A 31 3.633 11.394 2.160 1.00 0.29 C ATOM 187 O ARG A 31 2.544 11.763 2.551 1.00 0.31 O ATOM 188 CB ARG A 31 5.620 12.112 3.495 1.00 0.48 C ATOM 189 CG ARG A 31 4.794 13.204 4.170 1.00 0.99 C ATOM 190 CD ARG A 31 5.555 14.530 4.105 1.00 1.60 C ATOM 191 NE ARG A 31 4.692 15.569 3.479 1.00 2.76 N ATOM 192 CZ ARG A 31 4.135 16.487 4.220 1.00 2.82 C ATOM 193 NH1 ARG A 31 3.761 16.203 5.438 1.00 2.19 N ATOM 194 NH2 ARG A 31 3.950 17.688 3.744 1.00 3.90 N ATOM 0 H ARG A 31 6.536 10.063 2.460 1.00 0.22 H new ATOM 0 HA ARG A 31 4.247 10.545 4.038 1.00 0.35 H new ATOM 0 HB2 ARG A 31 6.417 11.781 4.161 1.00 0.48 H new ATOM 0 HB3 ARG A 31 6.097 12.505 2.598 1.00 0.48 H new ATOM 0 HG2 ARG A 31 3.827 13.302 3.676 1.00 0.99 H new ATOM 0 HG3 ARG A 31 4.596 12.936 5.208 1.00 0.99 H new ATOM 0 HD2 ARG A 31 5.849 14.842 5.107 1.00 1.60 H new ATOM 0 HD3 ARG A 31 6.471 14.407 3.528 1.00 1.60 H new ATOM 0 HE ARG A 31 4.536 15.563 2.471 1.00 2.76 H new ATOM 0 HH11 ARG A 31 3.904 15.264 5.810 1.00 2.19 H new ATOM 0 HH12 ARG A 31 3.325 16.920 6.018 1.00 2.19 H new ATOM 0 HH21 ARG A 31 4.241 17.910 2.792 1.00 3.90 H new ATOM 0 HH22 ARG A 31 3.514 18.405 4.324 1.00 3.90 H new ATOM 208 N TYR A 32 3.921 11.357 0.887 1.00 0.24 N ATOM 209 CA TYR A 32 2.907 11.774 -0.114 1.00 0.25 C ATOM 210 C TYR A 32 1.922 10.626 -0.308 1.00 0.18 C ATOM 211 O TYR A 32 0.748 10.831 -0.545 1.00 0.27 O ATOM 212 CB TYR A 32 3.591 12.095 -1.445 1.00 0.29 C ATOM 213 CG TYR A 32 3.290 13.523 -1.832 1.00 0.21 C ATOM 214 CD1 TYR A 32 1.981 13.898 -2.154 1.00 0.66 C ATOM 215 CD2 TYR A 32 4.319 14.470 -1.868 1.00 1.16 C ATOM 216 CE1 TYR A 32 1.699 15.223 -2.511 1.00 0.45 C ATOM 217 CE2 TYR A 32 4.039 15.795 -2.224 1.00 1.48 C ATOM 218 CZ TYR A 32 2.729 16.171 -2.546 1.00 0.82 C ATOM 219 OH TYR A 32 2.453 17.478 -2.895 1.00 1.15 O ATOM 0 H TYR A 32 4.815 11.056 0.500 1.00 0.24 H new ATOM 0 HA TYR A 32 2.384 12.664 0.235 1.00 0.25 H new ATOM 0 HB2 TYR A 32 4.668 11.950 -1.358 1.00 0.29 H new ATOM 0 HB3 TYR A 32 3.239 11.415 -2.221 1.00 0.29 H new ATOM 0 HD1 TYR A 32 1.188 13.166 -2.127 1.00 0.66 H new ATOM 0 HD2 TYR A 32 5.329 14.179 -1.621 1.00 1.16 H new ATOM 0 HE1 TYR A 32 0.689 15.513 -2.759 1.00 0.45 H new ATOM 0 HE2 TYR A 32 4.833 16.527 -2.250 1.00 1.48 H new ATOM 0 HH TYR A 32 3.279 18.005 -2.868 1.00 1.15 H new ATOM 229 N ILE A 33 2.390 9.412 -0.198 1.00 0.06 N ATOM 230 CA ILE A 33 1.475 8.253 -0.365 1.00 0.08 C ATOM 231 C ILE A 33 0.338 8.368 0.646 1.00 0.06 C ATOM 232 O ILE A 33 -0.819 8.243 0.306 1.00 0.08 O ATOM 233 CB ILE A 33 2.234 6.948 -0.138 1.00 0.17 C ATOM 234 CG1 ILE A 33 3.441 6.888 -1.079 1.00 0.28 C ATOM 235 CG2 ILE A 33 1.300 5.772 -0.431 1.00 0.13 C ATOM 236 CD1 ILE A 33 4.171 5.556 -0.893 1.00 0.47 C ATOM 0 H ILE A 33 3.362 9.176 -0.001 1.00 0.06 H new ATOM 0 HA ILE A 33 1.072 8.252 -1.378 1.00 0.08 H new ATOM 0 HB ILE A 33 2.580 6.897 0.894 1.00 0.17 H new ATOM 0 HG12 ILE A 33 3.114 6.994 -2.113 1.00 0.28 H new ATOM 0 HG13 ILE A 33 4.118 7.717 -0.872 1.00 0.28 H new ATOM 0 HG21 ILE A 33 1.834 4.835 -0.272 1.00 0.13 H new ATOM 0 HG22 ILE A 33 0.438 5.817 0.235 1.00 0.13 H new ATOM 0 HG23 ILE A 33 0.962 5.825 -1.466 1.00 0.13 H new ATOM 0 HD11 ILE A 33 5.030 5.515 -1.563 1.00 0.47 H new ATOM 0 HD12 ILE A 33 4.512 5.469 0.139 1.00 0.47 H new ATOM 0 HD13 ILE A 33 3.492 4.734 -1.122 1.00 0.47 H new ATOM 248 N LEU A 34 0.660 8.614 1.883 1.00 0.09 N ATOM 249 CA LEU A 34 -0.395 8.745 2.922 1.00 0.17 C ATOM 250 C LEU A 34 -1.209 10.014 2.666 1.00 0.20 C ATOM 251 O LEU A 34 -2.412 10.036 2.837 1.00 0.24 O ATOM 252 CB LEU A 34 0.265 8.842 4.294 1.00 0.23 C ATOM 253 CG LEU A 34 0.627 7.444 4.792 1.00 0.34 C ATOM 254 CD1 LEU A 34 1.643 6.816 3.840 1.00 0.75 C ATOM 255 CD2 LEU A 34 1.236 7.544 6.192 1.00 0.90 C ATOM 0 H LEU A 34 1.615 8.731 2.221 1.00 0.09 H new ATOM 0 HA LEU A 34 -1.053 7.877 2.886 1.00 0.17 H new ATOM 0 HB2 LEU A 34 1.161 9.460 4.234 1.00 0.23 H new ATOM 0 HB3 LEU A 34 -0.410 9.326 4.999 1.00 0.23 H new ATOM 0 HG LEU A 34 -0.270 6.826 4.829 1.00 0.34 H new ATOM 0 HD11 LEU A 34 1.904 5.818 4.193 1.00 0.75 H new ATOM 0 HD12 LEU A 34 1.212 6.747 2.841 1.00 0.75 H new ATOM 0 HD13 LEU A 34 2.540 7.434 3.806 1.00 0.75 H new ATOM 0 HD21 LEU A 34 1.495 6.547 6.548 1.00 0.90 H new ATOM 0 HD22 LEU A 34 2.134 8.160 6.155 1.00 0.90 H new ATOM 0 HD23 LEU A 34 0.514 7.996 6.872 1.00 0.90 H new ATOM 267 N ASP A 35 -0.564 11.075 2.252 1.00 0.24 N ATOM 268 CA ASP A 35 -1.305 12.342 1.979 1.00 0.34 C ATOM 269 C ASP A 35 -2.446 12.039 1.016 1.00 0.27 C ATOM 270 O ASP A 35 -3.484 12.671 1.037 1.00 0.34 O ATOM 271 CB ASP A 35 -0.357 13.366 1.348 1.00 0.45 C ATOM 272 CG ASP A 35 -0.148 14.536 2.310 1.00 0.44 C ATOM 273 OD1 ASP A 35 -1.065 15.327 2.459 1.00 1.07 O ATOM 274 OD2 ASP A 35 0.928 14.623 2.882 1.00 1.28 O ATOM 0 H ASP A 35 0.442 11.118 2.092 1.00 0.24 H new ATOM 0 HA ASP A 35 -1.701 12.751 2.909 1.00 0.34 H new ATOM 0 HB2 ASP A 35 0.599 12.897 1.118 1.00 0.45 H new ATOM 0 HB3 ASP A 35 -0.770 13.726 0.406 1.00 0.45 H new ATOM 279 N GLY A 36 -2.262 11.057 0.183 1.00 0.18 N ATOM 280 CA GLY A 36 -3.333 10.683 -0.773 1.00 0.17 C ATOM 281 C GLY A 36 -4.344 9.794 -0.050 1.00 0.10 C ATOM 282 O GLY A 36 -5.533 9.990 -0.150 1.00 0.12 O ATOM 0 H GLY A 36 -1.412 10.496 0.124 1.00 0.18 H new ATOM 0 HA2 GLY A 36 -3.823 11.576 -1.160 1.00 0.17 H new ATOM 0 HA3 GLY A 36 -2.910 10.156 -1.628 1.00 0.17 H new ATOM 286 N ILE A 37 -3.873 8.817 0.675 1.00 0.05 N ATOM 287 CA ILE A 37 -4.799 7.904 1.405 1.00 0.03 C ATOM 288 C ILE A 37 -5.755 8.704 2.292 1.00 0.02 C ATOM 289 O ILE A 37 -6.830 8.243 2.622 1.00 0.04 O ATOM 290 CB ILE A 37 -3.999 6.940 2.278 1.00 0.05 C ATOM 291 CG1 ILE A 37 -3.018 6.153 1.406 1.00 0.04 C ATOM 292 CG2 ILE A 37 -4.966 5.972 2.960 1.00 0.09 C ATOM 293 CD1 ILE A 37 -3.791 5.386 0.334 1.00 0.03 C ATOM 0 H ILE A 37 -2.881 8.610 0.794 1.00 0.05 H new ATOM 0 HA ILE A 37 -5.377 7.344 0.669 1.00 0.03 H new ATOM 0 HB ILE A 37 -3.442 7.498 3.030 1.00 0.05 H new ATOM 0 HG12 ILE A 37 -2.304 6.832 0.939 1.00 0.04 H new ATOM 0 HG13 ILE A 37 -2.443 5.460 2.021 1.00 0.04 H new ATOM 0 HG21 ILE A 37 -4.405 5.278 3.586 1.00 0.09 H new ATOM 0 HG22 ILE A 37 -5.667 6.533 3.578 1.00 0.09 H new ATOM 0 HG23 ILE A 37 -5.516 5.413 2.203 1.00 0.09 H new ATOM 0 HD11 ILE A 37 -3.092 4.825 -0.287 1.00 0.03 H new ATOM 0 HD12 ILE A 37 -4.487 4.696 0.811 1.00 0.03 H new ATOM 0 HD13 ILE A 37 -4.346 6.089 -0.288 1.00 0.03 H new ATOM 305 N SER A 38 -5.393 9.900 2.669 1.00 0.02 N ATOM 306 CA SER A 38 -6.308 10.706 3.515 1.00 0.05 C ATOM 307 C SER A 38 -7.499 11.075 2.652 1.00 0.05 C ATOM 308 O SER A 38 -8.644 10.954 3.047 1.00 0.06 O ATOM 309 CB SER A 38 -5.596 11.971 3.992 1.00 0.06 C ATOM 310 OG SER A 38 -5.208 11.807 5.351 1.00 0.67 O ATOM 0 H SER A 38 -4.509 10.348 2.428 1.00 0.02 H new ATOM 0 HA SER A 38 -6.624 10.144 4.394 1.00 0.05 H new ATOM 0 HB2 SER A 38 -4.720 12.165 3.373 1.00 0.06 H new ATOM 0 HB3 SER A 38 -6.255 12.833 3.891 1.00 0.06 H new ATOM 0 HG SER A 38 -4.749 12.616 5.660 1.00 0.67 H new ATOM 316 N ALA A 39 -7.227 11.493 1.450 1.00 0.06 N ATOM 317 CA ALA A 39 -8.326 11.841 0.527 1.00 0.06 C ATOM 318 C ALA A 39 -8.919 10.546 -0.042 1.00 0.06 C ATOM 319 O ALA A 39 -9.963 10.553 -0.665 1.00 0.14 O ATOM 320 CB ALA A 39 -7.788 12.711 -0.610 1.00 0.07 C ATOM 0 H ALA A 39 -6.287 11.607 1.071 1.00 0.06 H new ATOM 0 HA ALA A 39 -9.098 12.397 1.059 1.00 0.06 H new ATOM 0 HB1 ALA A 39 -8.601 12.966 -1.289 1.00 0.07 H new ATOM 0 HB2 ALA A 39 -7.360 13.625 -0.198 1.00 0.07 H new ATOM 0 HB3 ALA A 39 -7.019 12.163 -1.155 1.00 0.07 H new ATOM 326 N LEU A 40 -8.266 9.429 0.178 1.00 0.04 N ATOM 327 CA LEU A 40 -8.802 8.144 -0.338 1.00 0.05 C ATOM 328 C LEU A 40 -9.441 7.358 0.808 1.00 0.08 C ATOM 329 O LEU A 40 -10.003 6.305 0.601 1.00 0.12 O ATOM 330 CB LEU A 40 -7.679 7.310 -0.959 1.00 0.03 C ATOM 331 CG LEU A 40 -6.906 8.163 -1.964 1.00 0.05 C ATOM 332 CD1 LEU A 40 -5.491 7.607 -2.127 1.00 0.43 C ATOM 333 CD2 LEU A 40 -7.621 8.129 -3.310 1.00 0.36 C ATOM 0 H LEU A 40 -7.388 9.359 0.692 1.00 0.04 H new ATOM 0 HA LEU A 40 -9.550 8.358 -1.102 1.00 0.05 H new ATOM 0 HB2 LEU A 40 -7.007 6.948 -0.181 1.00 0.03 H new ATOM 0 HB3 LEU A 40 -8.095 6.433 -1.454 1.00 0.03 H new ATOM 0 HG LEU A 40 -6.852 9.190 -1.603 1.00 0.05 H new ATOM 0 HD11 LEU A 40 -4.941 8.216 -2.844 1.00 0.43 H new ATOM 0 HD12 LEU A 40 -4.979 7.628 -1.165 1.00 0.43 H new ATOM 0 HD13 LEU A 40 -5.543 6.580 -2.488 1.00 0.43 H new ATOM 0 HD21 LEU A 40 -7.072 8.737 -4.029 1.00 0.36 H new ATOM 0 HD22 LEU A 40 -7.673 7.101 -3.668 1.00 0.36 H new ATOM 0 HD23 LEU A 40 -8.630 8.525 -3.196 1.00 0.36 H new ATOM 345 N ARG A 41 -9.370 7.857 2.016 1.00 0.08 N ATOM 346 CA ARG A 41 -9.992 7.123 3.150 1.00 0.12 C ATOM 347 C ARG A 41 -10.960 8.043 3.900 1.00 0.07 C ATOM 348 O ARG A 41 -11.607 7.635 4.840 1.00 0.07 O ATOM 349 CB ARG A 41 -8.915 6.626 4.112 1.00 0.18 C ATOM 350 CG ARG A 41 -9.473 5.449 4.918 1.00 0.14 C ATOM 351 CD ARG A 41 -8.327 4.717 5.618 1.00 0.31 C ATOM 352 NE ARG A 41 -8.191 5.225 7.013 1.00 0.63 N ATOM 353 CZ ARG A 41 -8.788 4.605 7.994 1.00 0.42 C ATOM 354 NH1 ARG A 41 -8.304 3.480 8.447 1.00 1.57 N ATOM 355 NH2 ARG A 41 -9.868 5.110 8.525 1.00 1.40 N ATOM 0 H ARG A 41 -8.911 8.734 2.261 1.00 0.08 H new ATOM 0 HA ARG A 41 -10.539 6.268 2.753 1.00 0.12 H new ATOM 0 HB2 ARG A 41 -8.029 6.317 3.558 1.00 0.18 H new ATOM 0 HB3 ARG A 41 -8.608 7.429 4.782 1.00 0.18 H new ATOM 0 HG2 ARG A 41 -10.192 5.808 5.654 1.00 0.14 H new ATOM 0 HG3 ARG A 41 -10.006 4.764 4.259 1.00 0.14 H new ATOM 0 HD2 ARG A 41 -8.519 3.644 5.627 1.00 0.31 H new ATOM 0 HD3 ARG A 41 -7.396 4.870 5.072 1.00 0.31 H new ATOM 0 HE ARG A 41 -7.631 6.057 7.201 1.00 0.63 H new ATOM 0 HH11 ARG A 41 -7.459 3.085 8.034 1.00 1.57 H new ATOM 0 HH12 ARG A 41 -8.771 2.996 9.214 1.00 1.57 H new ATOM 0 HH21 ARG A 41 -10.246 5.990 8.173 1.00 1.40 H new ATOM 0 HH22 ARG A 41 -10.334 4.625 9.292 1.00 1.40 H new ATOM 369 N LYS A 42 -11.084 9.277 3.495 1.00 0.04 N ATOM 370 CA LYS A 42 -12.035 10.179 4.192 1.00 0.08 C ATOM 371 C LYS A 42 -13.434 9.900 3.649 1.00 0.10 C ATOM 372 O LYS A 42 -14.409 9.889 4.373 1.00 0.11 O ATOM 373 CB LYS A 42 -11.656 11.637 3.918 1.00 0.16 C ATOM 374 CG LYS A 42 -11.794 12.453 5.204 1.00 0.29 C ATOM 375 CD LYS A 42 -10.414 12.637 5.839 1.00 1.82 C ATOM 376 CE LYS A 42 -10.462 13.784 6.850 1.00 1.82 C ATOM 377 NZ LYS A 42 -9.613 14.909 6.365 1.00 2.21 N ATOM 0 H LYS A 42 -10.572 9.694 2.718 1.00 0.04 H new ATOM 0 HA LYS A 42 -12.005 10.006 5.268 1.00 0.08 H new ATOM 0 HB2 LYS A 42 -10.633 11.694 3.547 1.00 0.16 H new ATOM 0 HB3 LYS A 42 -12.300 12.051 3.142 1.00 0.16 H new ATOM 0 HG2 LYS A 42 -12.239 13.424 4.986 1.00 0.29 H new ATOM 0 HG3 LYS A 42 -12.462 11.946 5.900 1.00 0.29 H new ATOM 0 HD2 LYS A 42 -10.104 11.716 6.333 1.00 1.82 H new ATOM 0 HD3 LYS A 42 -9.673 12.849 5.068 1.00 1.82 H new ATOM 0 HE2 LYS A 42 -11.490 14.122 6.985 1.00 1.82 H new ATOM 0 HE3 LYS A 42 -10.109 13.441 7.823 1.00 1.82 H new ATOM 0 HZ1 LYS A 42 -9.645 15.689 7.052 1.00 2.21 H new ATOM 0 HZ2 LYS A 42 -8.632 14.582 6.258 1.00 2.21 H new ATOM 0 HZ3 LYS A 42 -9.969 15.242 5.446 1.00 2.21 H new ATOM 391 N GLU A 43 -13.530 9.658 2.373 1.00 0.19 N ATOM 392 CA GLU A 43 -14.849 9.377 1.762 1.00 0.29 C ATOM 393 C GLU A 43 -15.169 7.893 1.901 1.00 0.31 C ATOM 394 O GLU A 43 -16.203 7.519 2.430 1.00 0.36 O ATOM 395 CB GLU A 43 -14.798 9.749 0.279 1.00 0.36 C ATOM 396 CG GLU A 43 -16.108 10.427 -0.125 1.00 0.42 C ATOM 397 CD GLU A 43 -16.569 9.886 -1.479 1.00 1.35 C ATOM 398 OE1 GLU A 43 -15.743 9.334 -2.187 1.00 2.00 O ATOM 399 OE2 GLU A 43 -17.741 10.032 -1.786 1.00 1.65 O ATOM 0 H GLU A 43 -12.742 9.644 1.725 1.00 0.19 H new ATOM 0 HA GLU A 43 -15.620 9.961 2.265 1.00 0.29 H new ATOM 0 HB2 GLU A 43 -13.958 10.417 0.090 1.00 0.36 H new ATOM 0 HB3 GLU A 43 -14.638 8.856 -0.325 1.00 0.36 H new ATOM 0 HG2 GLU A 43 -16.872 10.244 0.630 1.00 0.42 H new ATOM 0 HG3 GLU A 43 -15.968 11.506 -0.182 1.00 0.42 H new ATOM 406 N THR A 44 -14.293 7.048 1.414 1.00 0.30 N ATOM 407 CA THR A 44 -14.542 5.583 1.491 1.00 0.32 C ATOM 408 C THR A 44 -14.050 5.023 2.828 1.00 0.44 C ATOM 409 O THR A 44 -13.276 4.089 2.882 1.00 0.70 O ATOM 410 CB THR A 44 -13.827 4.877 0.336 1.00 0.32 C ATOM 411 OG1 THR A 44 -14.181 3.501 0.333 1.00 0.50 O ATOM 412 CG2 THR A 44 -12.314 5.015 0.500 1.00 0.28 C ATOM 0 H THR A 44 -13.416 7.315 0.967 1.00 0.30 H new ATOM 0 HA THR A 44 -15.615 5.406 1.416 1.00 0.32 H new ATOM 0 HB THR A 44 -14.127 5.334 -0.607 1.00 0.32 H new ATOM 0 HG1 THR A 44 -13.884 3.085 1.169 1.00 0.50 H new ATOM 0 HG21 THR A 44 -11.811 4.510 -0.325 1.00 0.28 H new ATOM 0 HG22 THR A 44 -12.043 6.071 0.499 1.00 0.28 H new ATOM 0 HG23 THR A 44 -12.007 4.562 1.443 1.00 0.28 H new ATOM 420 N CYS A 45 -14.517 5.581 3.902 1.00 0.37 N ATOM 421 CA CYS A 45 -14.122 5.100 5.247 1.00 0.51 C ATOM 422 C CYS A 45 -14.904 5.924 6.263 1.00 0.60 C ATOM 423 O CYS A 45 -15.436 5.405 7.223 1.00 0.73 O ATOM 424 CB CYS A 45 -12.618 5.288 5.458 1.00 0.66 C ATOM 425 SG CYS A 45 -11.869 3.750 6.052 1.00 1.29 S ATOM 0 H CYS A 45 -15.169 6.366 3.904 1.00 0.37 H new ATOM 0 HA CYS A 45 -14.340 4.038 5.358 1.00 0.51 H new ATOM 0 HB2 CYS A 45 -12.148 5.592 4.523 1.00 0.66 H new ATOM 0 HB3 CYS A 45 -12.442 6.088 6.178 1.00 0.66 H new ATOM 0 HG CYS A 45 -12.805 2.905 6.367 1.00 1.29 H new ATOM 430 N ASN A 46 -15.017 7.209 6.037 1.00 0.58 N ATOM 431 CA ASN A 46 -15.807 8.047 6.972 1.00 0.72 C ATOM 432 C ASN A 46 -17.284 7.833 6.646 1.00 0.68 C ATOM 433 O ASN A 46 -18.088 7.564 7.517 1.00 0.77 O ATOM 434 CB ASN A 46 -15.441 9.519 6.789 1.00 0.78 C ATOM 435 CG ASN A 46 -15.753 10.286 8.075 1.00 0.73 C ATOM 436 OD1 ASN A 46 -16.865 10.252 8.562 1.00 0.42 O ATOM 437 ND2 ASN A 46 -14.809 10.980 8.649 1.00 1.64 N ATOM 0 H ASN A 46 -14.598 7.705 5.251 1.00 0.58 H new ATOM 0 HA ASN A 46 -15.598 7.770 8.005 1.00 0.72 H new ATOM 0 HB2 ASN A 46 -14.383 9.614 6.544 1.00 0.78 H new ATOM 0 HB3 ASN A 46 -16.001 9.943 5.955 1.00 0.78 H new ATOM 0 HD21 ASN A 46 -15.005 11.495 9.508 1.00 1.64 H new ATOM 0 HD22 ASN A 46 -13.875 11.008 8.239 1.00 1.64 H new ATOM 444 N LYS A 47 -17.647 7.922 5.390 1.00 0.60 N ATOM 445 CA LYS A 47 -19.067 7.690 5.018 1.00 0.63 C ATOM 446 C LYS A 47 -19.264 6.214 4.663 1.00 0.65 C ATOM 447 O LYS A 47 -20.375 5.743 4.518 1.00 1.13 O ATOM 448 CB LYS A 47 -19.445 8.564 3.820 1.00 0.57 C ATOM 449 CG LYS A 47 -20.764 9.285 4.112 1.00 0.60 C ATOM 450 CD LYS A 47 -21.923 8.500 3.497 1.00 1.74 C ATOM 451 CE LYS A 47 -23.007 8.276 4.554 1.00 2.88 C ATOM 452 NZ LYS A 47 -23.358 9.576 5.191 1.00 2.95 N ATOM 0 H LYS A 47 -17.022 8.144 4.615 1.00 0.60 H new ATOM 0 HA LYS A 47 -19.706 7.951 5.861 1.00 0.63 H new ATOM 0 HB2 LYS A 47 -18.657 9.290 3.623 1.00 0.57 H new ATOM 0 HB3 LYS A 47 -19.544 7.950 2.925 1.00 0.57 H new ATOM 0 HG2 LYS A 47 -20.907 9.382 5.188 1.00 0.60 H new ATOM 0 HG3 LYS A 47 -20.737 10.295 3.702 1.00 0.60 H new ATOM 0 HD2 LYS A 47 -22.335 9.045 2.648 1.00 1.74 H new ATOM 0 HD3 LYS A 47 -21.567 7.542 3.118 1.00 1.74 H new ATOM 0 HE2 LYS A 47 -23.891 7.834 4.095 1.00 2.88 H new ATOM 0 HE3 LYS A 47 -22.654 7.573 5.309 1.00 2.88 H new ATOM 0 HZ1 LYS A 47 -24.376 9.596 5.401 1.00 2.95 H new ATOM 0 HZ2 LYS A 47 -22.820 9.686 6.074 1.00 2.95 H new ATOM 0 HZ3 LYS A 47 -23.123 10.355 4.543 1.00 2.95 H new ATOM 466 N SER A 48 -18.193 5.479 4.519 1.00 0.37 N ATOM 467 CA SER A 48 -18.317 4.038 4.172 1.00 0.31 C ATOM 468 C SER A 48 -18.587 3.228 5.440 1.00 0.75 C ATOM 469 O SER A 48 -17.700 2.963 6.224 1.00 1.89 O ATOM 470 CB SER A 48 -17.017 3.553 3.527 1.00 0.35 C ATOM 471 OG SER A 48 -17.298 2.437 2.692 1.00 1.13 O ATOM 0 H SER A 48 -17.237 5.818 4.628 1.00 0.37 H new ATOM 0 HA SER A 48 -19.142 3.905 3.472 1.00 0.31 H new ATOM 0 HB2 SER A 48 -16.565 4.355 2.943 1.00 0.35 H new ATOM 0 HB3 SER A 48 -16.297 3.275 4.296 1.00 0.35 H new ATOM 0 HG SER A 48 -17.574 1.676 3.245 1.00 1.13 H new ATOM 477 N ASN A 49 -19.809 2.821 5.638 1.00 0.51 N ATOM 478 CA ASN A 49 -20.160 2.022 6.846 1.00 0.53 C ATOM 479 C ASN A 49 -19.165 0.866 7.056 1.00 0.54 C ATOM 480 O ASN A 49 -19.091 0.301 8.130 1.00 1.03 O ATOM 481 CB ASN A 49 -21.568 1.446 6.674 1.00 0.84 C ATOM 482 CG ASN A 49 -22.133 1.059 8.041 1.00 2.11 C ATOM 483 OD1 ASN A 49 -21.606 0.189 8.706 1.00 3.27 O ATOM 484 ND2 ASN A 49 -23.194 1.672 8.493 1.00 2.24 N ATOM 0 H ASN A 49 -20.589 3.010 5.008 1.00 0.51 H new ATOM 0 HA ASN A 49 -20.118 2.676 7.717 1.00 0.53 H new ATOM 0 HB2 ASN A 49 -22.216 2.180 6.196 1.00 0.84 H new ATOM 0 HB3 ASN A 49 -21.538 0.574 6.021 1.00 0.84 H new ATOM 0 HD21 ASN A 49 -23.579 1.420 9.403 1.00 2.24 H new ATOM 0 HD22 ASN A 49 -23.637 2.402 7.936 1.00 2.24 H new ATOM 491 N MET A 50 -18.402 0.501 6.056 1.00 0.67 N ATOM 492 CA MET A 50 -17.436 -0.618 6.237 1.00 0.69 C ATOM 493 C MET A 50 -16.097 -0.060 6.720 1.00 0.67 C ATOM 494 O MET A 50 -15.048 -0.434 6.234 1.00 0.87 O ATOM 495 CB MET A 50 -17.234 -1.334 4.900 1.00 0.78 C ATOM 496 CG MET A 50 -18.588 -1.780 4.347 1.00 1.20 C ATOM 497 SD MET A 50 -18.934 -3.473 4.884 1.00 0.92 S ATOM 498 CE MET A 50 -17.892 -4.313 3.667 1.00 1.20 C ATOM 0 H MET A 50 -18.408 0.928 5.130 1.00 0.67 H new ATOM 0 HA MET A 50 -17.825 -1.321 6.974 1.00 0.69 H new ATOM 0 HB2 MET A 50 -16.741 -0.669 4.191 1.00 0.78 H new ATOM 0 HB3 MET A 50 -16.582 -2.197 5.033 1.00 0.78 H new ATOM 0 HG2 MET A 50 -19.373 -1.109 4.695 1.00 1.20 H new ATOM 0 HG3 MET A 50 -18.583 -1.727 3.258 1.00 1.20 H new ATOM 0 HE1 MET A 50 -17.652 -5.315 4.023 1.00 1.20 H new ATOM 0 HE2 MET A 50 -18.425 -4.383 2.719 1.00 1.20 H new ATOM 0 HE3 MET A 50 -16.971 -3.748 3.525 1.00 1.20 H new ATOM 660 N ASN A 62 -9.888 -8.720 6.057 1.00 0.55 N ATOM 661 CA ASN A 62 -8.435 -8.365 6.004 1.00 0.92 C ATOM 662 C ASN A 62 -7.838 -8.712 4.634 1.00 1.00 C ATOM 663 O ASN A 62 -6.658 -8.537 4.408 1.00 2.26 O ATOM 664 CB ASN A 62 -7.670 -9.124 7.094 1.00 1.16 C ATOM 665 CG ASN A 62 -6.481 -8.285 7.562 1.00 2.48 C ATOM 666 OD1 ASN A 62 -6.088 -7.344 6.902 1.00 3.51 O ATOM 667 ND2 ASN A 62 -5.886 -8.587 8.684 1.00 2.91 N ATOM 0 HA ASN A 62 -8.342 -7.291 6.168 1.00 0.92 H new ATOM 0 HB2 ASN A 62 -8.330 -9.338 7.934 1.00 1.16 H new ATOM 0 HB3 ASN A 62 -7.323 -10.083 6.709 1.00 1.16 H new ATOM 0 HD21 ASN A 62 -5.092 -8.033 9.005 1.00 2.91 H new ATOM 0 HD22 ASN A 62 -6.215 -9.377 9.239 1.00 2.91 H new ATOM 674 N LEU A 63 -8.630 -9.201 3.713 1.00 0.63 N ATOM 675 CA LEU A 63 -8.078 -9.547 2.368 1.00 0.55 C ATOM 676 C LEU A 63 -6.852 -10.451 2.533 1.00 0.61 C ATOM 677 O LEU A 63 -6.558 -10.916 3.616 1.00 0.62 O ATOM 678 CB LEU A 63 -7.660 -8.265 1.646 1.00 0.52 C ATOM 679 CG LEU A 63 -8.801 -7.782 0.752 1.00 0.51 C ATOM 680 CD1 LEU A 63 -8.387 -6.483 0.060 1.00 0.48 C ATOM 681 CD2 LEU A 63 -9.106 -8.846 -0.305 1.00 0.89 C ATOM 0 H LEU A 63 -9.628 -9.375 3.833 1.00 0.63 H new ATOM 0 HA LEU A 63 -8.841 -10.067 1.788 1.00 0.55 H new ATOM 0 HB2 LEU A 63 -7.403 -7.494 2.373 1.00 0.52 H new ATOM 0 HB3 LEU A 63 -6.768 -8.448 1.047 1.00 0.52 H new ATOM 0 HG LEU A 63 -9.690 -7.606 1.358 1.00 0.51 H new ATOM 0 HD11 LEU A 63 -9.199 -6.136 -0.579 1.00 0.48 H new ATOM 0 HD12 LEU A 63 -8.167 -5.725 0.811 1.00 0.48 H new ATOM 0 HD13 LEU A 63 -7.499 -6.661 -0.547 1.00 0.48 H new ATOM 0 HD21 LEU A 63 -9.920 -8.502 -0.943 1.00 0.89 H new ATOM 0 HD22 LEU A 63 -8.218 -9.021 -0.912 1.00 0.89 H new ATOM 0 HD23 LEU A 63 -9.398 -9.774 0.187 1.00 0.89 H new ATOM 693 N ASN A 64 -6.127 -10.698 1.473 1.00 0.70 N ATOM 694 CA ASN A 64 -4.921 -11.565 1.594 1.00 0.76 C ATOM 695 C ASN A 64 -3.682 -10.783 1.156 1.00 0.76 C ATOM 696 O ASN A 64 -2.681 -11.353 0.770 1.00 1.03 O ATOM 697 CB ASN A 64 -5.085 -12.804 0.712 1.00 0.79 C ATOM 698 CG ASN A 64 -5.463 -12.375 -0.708 1.00 0.98 C ATOM 699 OD1 ASN A 64 -4.613 -11.996 -1.488 1.00 2.16 O ATOM 700 ND2 ASN A 64 -6.714 -12.422 -1.078 1.00 1.79 N ATOM 0 H ASN A 64 -6.317 -10.340 0.537 1.00 0.70 H new ATOM 0 HA ASN A 64 -4.804 -11.876 2.632 1.00 0.76 H new ATOM 0 HB2 ASN A 64 -4.158 -13.377 0.695 1.00 0.79 H new ATOM 0 HB3 ASN A 64 -5.855 -13.457 1.123 1.00 0.79 H new ATOM 0 HD21 ASN A 64 -6.977 -12.140 -2.022 1.00 1.79 H new ATOM 0 HD22 ASN A 64 -7.428 -12.740 -0.423 1.00 1.79 H new ATOM 707 N LEU A 65 -3.742 -9.482 1.212 1.00 0.58 N ATOM 708 CA LEU A 65 -2.570 -8.665 0.797 1.00 0.56 C ATOM 709 C LEU A 65 -1.683 -8.191 1.988 1.00 0.53 C ATOM 710 O LEU A 65 -0.587 -7.731 1.737 1.00 0.38 O ATOM 711 CB LEU A 65 -3.063 -7.442 0.017 1.00 0.71 C ATOM 712 CG LEU A 65 -3.803 -6.487 0.953 1.00 0.77 C ATOM 713 CD1 LEU A 65 -3.012 -5.186 1.079 1.00 0.63 C ATOM 714 CD2 LEU A 65 -5.189 -6.184 0.380 1.00 0.93 C ATOM 0 H LEU A 65 -4.553 -8.950 1.528 1.00 0.58 H new ATOM 0 HA LEU A 65 -1.943 -9.307 0.178 1.00 0.56 H new ATOM 0 HB2 LEU A 65 -2.218 -6.930 -0.444 1.00 0.71 H new ATOM 0 HB3 LEU A 65 -3.724 -7.758 -0.790 1.00 0.71 H new ATOM 0 HG LEU A 65 -3.907 -6.948 1.935 1.00 0.77 H new ATOM 0 HD11 LEU A 65 -3.538 -4.503 1.746 1.00 0.63 H new ATOM 0 HD12 LEU A 65 -2.023 -5.399 1.484 1.00 0.63 H new ATOM 0 HD13 LEU A 65 -2.910 -4.726 0.096 1.00 0.63 H new ATOM 0 HD21 LEU A 65 -5.718 -5.503 1.047 1.00 0.93 H new ATOM 0 HD22 LEU A 65 -5.084 -5.722 -0.602 1.00 0.93 H new ATOM 0 HD23 LEU A 65 -5.754 -7.111 0.286 1.00 0.93 H new ATOM 726 N PRO A 66 -2.126 -8.285 3.242 1.00 1.55 N ATOM 727 CA PRO A 66 -1.287 -7.829 4.371 1.00 1.79 C ATOM 728 C PRO A 66 -0.187 -8.851 4.674 1.00 1.64 C ATOM 729 O PRO A 66 -0.373 -10.042 4.525 1.00 2.43 O ATOM 730 CB PRO A 66 -2.266 -7.720 5.542 1.00 3.09 C ATOM 731 CG PRO A 66 -3.457 -8.639 5.199 1.00 3.57 C ATOM 732 CD PRO A 66 -3.437 -8.832 3.671 1.00 2.62 C ATOM 0 HA PRO A 66 -0.778 -6.888 4.163 1.00 1.79 H new ATOM 0 HB2 PRO A 66 -1.793 -8.029 6.474 1.00 3.09 H new ATOM 0 HB3 PRO A 66 -2.596 -6.690 5.678 1.00 3.09 H new ATOM 0 HG2 PRO A 66 -3.368 -9.597 5.712 1.00 3.57 H new ATOM 0 HG3 PRO A 66 -4.397 -8.191 5.521 1.00 3.57 H new ATOM 0 HD2 PRO A 66 -3.535 -9.884 3.403 1.00 2.62 H new ATOM 0 HD3 PRO A 66 -4.262 -8.304 3.194 1.00 2.62 H new ATOM 740 N LYS A 67 0.960 -8.390 5.101 1.00 1.08 N ATOM 741 CA LYS A 67 2.071 -9.332 5.415 1.00 1.47 C ATOM 742 C LYS A 67 3.186 -8.578 6.151 1.00 1.09 C ATOM 743 O LYS A 67 4.340 -8.628 5.776 1.00 1.03 O ATOM 744 CB LYS A 67 2.619 -9.921 4.112 1.00 1.77 C ATOM 745 CG LYS A 67 2.250 -11.403 4.030 1.00 2.50 C ATOM 746 CD LYS A 67 3.437 -12.252 4.491 1.00 3.34 C ATOM 747 CE LYS A 67 2.942 -13.345 5.441 1.00 3.83 C ATOM 748 NZ LYS A 67 3.872 -13.452 6.602 1.00 4.77 N ATOM 0 H LYS A 67 1.174 -7.403 5.245 1.00 1.08 H new ATOM 0 HA LYS A 67 1.701 -10.138 6.049 1.00 1.47 H new ATOM 0 HB2 LYS A 67 2.208 -9.385 3.257 1.00 1.77 H new ATOM 0 HB3 LYS A 67 3.702 -9.802 4.073 1.00 1.77 H new ATOM 0 HG2 LYS A 67 1.380 -11.607 4.654 1.00 2.50 H new ATOM 0 HG3 LYS A 67 1.978 -11.665 3.008 1.00 2.50 H new ATOM 0 HD2 LYS A 67 3.934 -12.700 3.630 1.00 3.34 H new ATOM 0 HD3 LYS A 67 4.174 -11.625 4.993 1.00 3.34 H new ATOM 0 HE2 LYS A 67 1.935 -13.112 5.788 1.00 3.83 H new ATOM 0 HE3 LYS A 67 2.886 -14.299 4.917 1.00 3.83 H new ATOM 0 HZ1 LYS A 67 3.536 -14.195 7.248 1.00 4.77 H new ATOM 0 HZ2 LYS A 67 4.825 -13.693 6.262 1.00 4.77 H new ATOM 0 HZ3 LYS A 67 3.904 -12.543 7.106 1.00 4.77 H new ATOM 762 N MET A 68 2.845 -7.877 7.198 1.00 0.98 N ATOM 763 CA MET A 68 3.879 -7.120 7.962 1.00 0.77 C ATOM 764 C MET A 68 3.518 -7.129 9.448 1.00 1.04 C ATOM 765 O MET A 68 2.364 -7.041 9.816 1.00 1.44 O ATOM 766 CB MET A 68 3.928 -5.675 7.455 1.00 0.70 C ATOM 767 CG MET A 68 5.339 -5.110 7.641 1.00 0.39 C ATOM 768 SD MET A 68 5.240 -3.469 8.405 1.00 1.34 S ATOM 769 CE MET A 68 6.689 -2.743 7.598 1.00 0.49 C ATOM 0 H MET A 68 1.894 -7.795 7.558 1.00 0.98 H new ATOM 0 HA MET A 68 4.854 -7.587 7.822 1.00 0.77 H new ATOM 0 HB2 MET A 68 3.647 -5.639 6.402 1.00 0.70 H new ATOM 0 HB3 MET A 68 3.207 -5.064 7.998 1.00 0.70 H new ATOM 0 HG2 MET A 68 5.930 -5.779 8.267 1.00 0.39 H new ATOM 0 HG3 MET A 68 5.845 -5.044 6.678 1.00 0.39 H new ATOM 0 HE1 MET A 68 7.185 -2.059 8.287 1.00 0.49 H new ATOM 0 HE2 MET A 68 7.381 -3.535 7.312 1.00 0.49 H new ATOM 0 HE3 MET A 68 6.375 -2.197 6.709 1.00 0.49 H new ATOM 779 N ALA A 69 4.495 -7.236 10.309 1.00 0.98 N ATOM 780 CA ALA A 69 4.197 -7.253 11.769 1.00 1.43 C ATOM 781 C ALA A 69 5.505 -7.319 12.561 1.00 1.11 C ATOM 782 O ALA A 69 6.576 -7.100 12.029 1.00 0.50 O ATOM 783 CB ALA A 69 3.340 -8.478 12.096 1.00 2.07 C ATOM 0 H ALA A 69 5.482 -7.312 10.065 1.00 0.98 H new ATOM 0 HA ALA A 69 3.658 -6.345 12.040 1.00 1.43 H new ATOM 0 HB1 ALA A 69 3.120 -8.494 13.163 1.00 2.07 H new ATOM 0 HB2 ALA A 69 2.407 -8.430 11.534 1.00 2.07 H new ATOM 0 HB3 ALA A 69 3.881 -9.384 11.824 1.00 2.07 H new ATOM 789 N GLU A 70 5.429 -7.623 13.829 1.00 1.59 N ATOM 790 CA GLU A 70 6.666 -7.704 14.657 1.00 1.33 C ATOM 791 C GLU A 70 7.664 -8.655 13.990 1.00 1.19 C ATOM 792 O GLU A 70 8.858 -8.429 14.008 1.00 1.00 O ATOM 793 CB GLU A 70 6.315 -8.232 16.051 1.00 1.30 C ATOM 794 CG GLU A 70 7.038 -7.399 17.112 1.00 2.33 C ATOM 795 CD GLU A 70 6.013 -6.801 18.078 1.00 2.75 C ATOM 796 OE1 GLU A 70 5.017 -7.457 18.336 1.00 2.50 O ATOM 797 OE2 GLU A 70 6.241 -5.697 18.545 1.00 3.62 O ATOM 0 H GLU A 70 4.561 -7.819 14.328 1.00 1.59 H new ATOM 0 HA GLU A 70 7.109 -6.712 14.745 1.00 1.33 H new ATOM 0 HB2 GLU A 70 5.237 -8.184 16.208 1.00 1.30 H new ATOM 0 HB3 GLU A 70 6.604 -9.280 16.138 1.00 1.30 H new ATOM 0 HG2 GLU A 70 7.747 -8.022 17.657 1.00 2.33 H new ATOM 0 HG3 GLU A 70 7.612 -6.604 16.636 1.00 2.33 H new ATOM 804 N LYS A 71 7.184 -9.715 13.400 1.00 1.32 N ATOM 805 CA LYS A 71 8.102 -10.681 12.730 1.00 1.29 C ATOM 806 C LYS A 71 8.990 -9.939 11.729 1.00 1.26 C ATOM 807 O LYS A 71 10.191 -10.122 11.695 1.00 1.36 O ATOM 808 CB LYS A 71 7.278 -11.736 11.991 1.00 1.50 C ATOM 809 CG LYS A 71 7.262 -13.034 12.800 1.00 1.66 C ATOM 810 CD LYS A 71 5.884 -13.685 12.688 1.00 2.68 C ATOM 811 CE LYS A 71 5.549 -14.402 13.997 1.00 3.08 C ATOM 812 NZ LYS A 71 4.751 -15.624 13.700 1.00 3.33 N ATOM 0 H LYS A 71 6.194 -9.955 13.353 1.00 1.32 H new ATOM 0 HA LYS A 71 8.728 -11.164 13.481 1.00 1.29 H new ATOM 0 HB2 LYS A 71 6.260 -11.377 11.840 1.00 1.50 H new ATOM 0 HB3 LYS A 71 7.702 -11.917 11.003 1.00 1.50 H new ATOM 0 HG2 LYS A 71 8.029 -13.715 12.431 1.00 1.66 H new ATOM 0 HG3 LYS A 71 7.495 -12.827 13.845 1.00 1.66 H new ATOM 0 HD2 LYS A 71 5.129 -12.929 12.472 1.00 2.68 H new ATOM 0 HD3 LYS A 71 5.871 -14.393 11.860 1.00 2.68 H new ATOM 0 HE2 LYS A 71 6.465 -14.671 14.522 1.00 3.08 H new ATOM 0 HE3 LYS A 71 4.988 -13.738 14.655 1.00 3.08 H new ATOM 0 HZ1 LYS A 71 4.522 -16.113 14.589 1.00 3.33 H new ATOM 0 HZ2 LYS A 71 3.871 -15.355 13.216 1.00 3.33 H new ATOM 0 HZ3 LYS A 71 5.302 -16.258 13.088 1.00 3.33 H new ATOM 826 N ASP A 72 8.408 -9.102 10.912 1.00 1.20 N ATOM 827 CA ASP A 72 9.215 -8.346 9.909 1.00 1.24 C ATOM 828 C ASP A 72 10.391 -7.659 10.611 1.00 1.31 C ATOM 829 O ASP A 72 11.523 -7.740 10.175 1.00 1.40 O ATOM 830 CB ASP A 72 8.334 -7.290 9.238 1.00 1.65 C ATOM 831 CG ASP A 72 8.522 -7.352 7.721 1.00 1.70 C ATOM 832 OD1 ASP A 72 9.624 -7.654 7.292 1.00 1.81 O ATOM 833 OD2 ASP A 72 7.562 -7.094 7.014 1.00 2.02 O ATOM 0 H ASP A 72 7.407 -8.909 10.896 1.00 1.20 H new ATOM 0 HA ASP A 72 9.595 -9.035 9.155 1.00 1.24 H new ATOM 0 HB2 ASP A 72 7.288 -7.460 9.492 1.00 1.65 H new ATOM 0 HB3 ASP A 72 8.594 -6.298 9.606 1.00 1.65 H new ATOM 838 N GLY A 73 10.130 -6.989 11.701 1.00 1.48 N ATOM 839 CA GLY A 73 11.230 -6.302 12.436 1.00 1.73 C ATOM 840 C GLY A 73 11.280 -4.828 12.031 1.00 1.41 C ATOM 841 O GLY A 73 12.331 -4.219 12.001 1.00 1.41 O ATOM 0 H GLY A 73 9.203 -6.888 12.114 1.00 1.48 H new ATOM 0 HA2 GLY A 73 11.071 -6.388 13.511 1.00 1.73 H new ATOM 0 HA3 GLY A 73 12.183 -6.782 12.215 1.00 1.73 H new ATOM 845 N CYS A 74 10.153 -4.247 11.720 1.00 1.24 N ATOM 846 CA CYS A 74 10.144 -2.812 11.321 1.00 1.02 C ATOM 847 C CYS A 74 9.820 -1.945 12.540 1.00 1.25 C ATOM 848 O CYS A 74 9.088 -0.980 12.452 1.00 1.35 O ATOM 849 CB CYS A 74 9.086 -2.588 10.238 1.00 0.83 C ATOM 850 SG CYS A 74 9.895 -2.472 8.621 1.00 0.76 S ATOM 0 H CYS A 74 9.241 -4.703 11.725 1.00 1.24 H new ATOM 0 HA CYS A 74 11.124 -2.538 10.931 1.00 1.02 H new ATOM 0 HB2 CYS A 74 8.368 -3.409 10.240 1.00 0.83 H new ATOM 0 HB3 CYS A 74 8.527 -1.675 10.444 1.00 0.83 H new ATOM 855 N PHE A 75 10.365 -2.281 13.679 1.00 1.43 N ATOM 856 CA PHE A 75 10.092 -1.475 14.905 1.00 1.72 C ATOM 857 C PHE A 75 11.326 -1.491 15.811 1.00 1.89 C ATOM 858 O PHE A 75 12.258 -2.239 15.593 1.00 1.54 O ATOM 859 CB PHE A 75 8.906 -2.075 15.661 1.00 1.88 C ATOM 860 CG PHE A 75 7.765 -2.321 14.704 1.00 1.35 C ATOM 861 CD1 PHE A 75 6.956 -1.257 14.288 1.00 1.82 C ATOM 862 CD2 PHE A 75 7.516 -3.616 14.233 1.00 0.54 C ATOM 863 CE1 PHE A 75 5.897 -1.488 13.402 1.00 1.37 C ATOM 864 CE2 PHE A 75 6.457 -3.847 13.348 1.00 0.34 C ATOM 865 CZ PHE A 75 5.647 -2.783 12.933 1.00 0.47 C ATOM 0 H PHE A 75 10.987 -3.078 13.814 1.00 1.43 H new ATOM 0 HA PHE A 75 9.860 -0.450 14.617 1.00 1.72 H new ATOM 0 HB2 PHE A 75 9.201 -3.010 16.138 1.00 1.88 H new ATOM 0 HB3 PHE A 75 8.588 -1.399 16.455 1.00 1.88 H new ATOM 0 HD1 PHE A 75 7.149 -0.258 14.651 1.00 1.82 H new ATOM 0 HD2 PHE A 75 8.141 -4.436 14.553 1.00 0.54 H new ATOM 0 HE1 PHE A 75 5.273 -0.667 13.080 1.00 1.37 H new ATOM 0 HE2 PHE A 75 6.264 -4.846 12.985 1.00 0.34 H new ATOM 0 HZ PHE A 75 4.829 -2.961 12.251 1.00 0.47 H new ATOM 875 N GLN A 76 11.337 -0.672 16.828 1.00 2.45 N ATOM 876 CA GLN A 76 12.509 -0.643 17.749 1.00 2.65 C ATOM 877 C GLN A 76 12.751 -2.049 18.306 1.00 2.63 C ATOM 878 O GLN A 76 13.856 -2.553 18.286 1.00 2.49 O ATOM 879 CB GLN A 76 12.228 0.323 18.903 1.00 2.97 C ATOM 880 CG GLN A 76 13.545 0.703 19.585 1.00 3.05 C ATOM 881 CD GLN A 76 14.099 1.981 18.951 1.00 3.82 C ATOM 882 OE1 GLN A 76 14.914 1.923 18.052 1.00 4.25 O ATOM 883 NE2 GLN A 76 13.688 3.141 19.385 1.00 4.57 N ATOM 0 H GLN A 76 10.586 -0.022 17.061 1.00 2.45 H new ATOM 0 HA GLN A 76 13.393 -0.309 17.205 1.00 2.65 H new ATOM 0 HB2 GLN A 76 11.729 1.217 18.529 1.00 2.97 H new ATOM 0 HB3 GLN A 76 11.554 -0.141 19.623 1.00 2.97 H new ATOM 0 HG2 GLN A 76 13.383 0.855 20.652 1.00 3.05 H new ATOM 0 HG3 GLN A 76 14.266 -0.108 19.484 1.00 3.05 H new ATOM 0 HE21 GLN A 76 13.004 3.190 20.140 1.00 4.57 H new ATOM 0 HE22 GLN A 76 14.051 3.999 18.969 1.00 4.57 H new ATOM 892 N SER A 77 11.725 -2.687 18.801 1.00 2.82 N ATOM 893 CA SER A 77 11.895 -4.061 19.356 1.00 2.86 C ATOM 894 C SER A 77 12.344 -5.009 18.241 1.00 2.62 C ATOM 895 O SER A 77 11.536 -5.582 17.541 1.00 2.70 O ATOM 896 CB SER A 77 10.564 -4.547 19.930 1.00 3.21 C ATOM 897 OG SER A 77 10.097 -3.611 20.893 1.00 4.41 O ATOM 0 H SER A 77 10.776 -2.316 18.845 1.00 2.82 H new ATOM 0 HA SER A 77 12.647 -4.044 20.145 1.00 2.86 H new ATOM 0 HB2 SER A 77 9.831 -4.661 19.132 1.00 3.21 H new ATOM 0 HB3 SER A 77 10.690 -5.527 20.390 1.00 3.21 H new ATOM 0 HG SER A 77 9.243 -3.919 21.261 1.00 4.41 H new ATOM 903 N GLY A 78 13.627 -5.177 18.071 1.00 2.45 N ATOM 904 CA GLY A 78 14.124 -6.088 16.999 1.00 2.25 C ATOM 905 C GLY A 78 14.061 -5.369 15.651 1.00 2.07 C ATOM 906 O GLY A 78 13.591 -5.909 14.669 1.00 2.18 O ATOM 0 H GLY A 78 14.352 -4.724 18.627 1.00 2.45 H new ATOM 0 HA2 GLY A 78 15.148 -6.394 17.213 1.00 2.25 H new ATOM 0 HA3 GLY A 78 13.520 -6.995 16.968 1.00 2.25 H new ATOM 910 N PHE A 79 14.532 -4.152 15.596 1.00 1.87 N ATOM 911 CA PHE A 79 14.498 -3.396 14.312 1.00 1.68 C ATOM 912 C PHE A 79 15.254 -4.178 13.237 1.00 1.51 C ATOM 913 O PHE A 79 16.085 -5.015 13.532 1.00 1.37 O ATOM 914 CB PHE A 79 15.163 -2.032 14.509 1.00 1.44 C ATOM 915 CG PHE A 79 15.119 -1.256 13.215 1.00 1.18 C ATOM 916 CD1 PHE A 79 13.886 -0.943 12.628 1.00 1.42 C ATOM 917 CD2 PHE A 79 16.310 -0.847 12.602 1.00 0.81 C ATOM 918 CE1 PHE A 79 13.845 -0.224 11.427 1.00 1.19 C ATOM 919 CE2 PHE A 79 16.268 -0.127 11.401 1.00 0.62 C ATOM 920 CZ PHE A 79 15.036 0.185 10.815 1.00 0.74 C ATOM 0 H PHE A 79 14.939 -3.649 16.385 1.00 1.87 H new ATOM 0 HA PHE A 79 13.463 -3.258 14.000 1.00 1.68 H new ATOM 0 HB2 PHE A 79 14.651 -1.477 15.295 1.00 1.44 H new ATOM 0 HB3 PHE A 79 16.196 -2.163 14.831 1.00 1.44 H new ATOM 0 HD1 PHE A 79 12.967 -1.256 13.102 1.00 1.42 H new ATOM 0 HD2 PHE A 79 17.261 -1.087 13.055 1.00 0.81 H new ATOM 0 HE1 PHE A 79 12.895 0.015 10.973 1.00 1.19 H new ATOM 0 HE2 PHE A 79 17.186 0.187 10.927 1.00 0.62 H new ATOM 0 HZ PHE A 79 15.004 0.742 9.890 1.00 0.74 H new ATOM 930 N ASN A 80 14.974 -3.911 11.991 1.00 1.82 N ATOM 931 CA ASN A 80 15.677 -4.636 10.897 1.00 1.73 C ATOM 932 C ASN A 80 16.111 -3.636 9.823 1.00 1.48 C ATOM 933 O ASN A 80 16.055 -2.439 10.020 1.00 2.00 O ATOM 934 CB ASN A 80 14.732 -5.671 10.282 1.00 2.23 C ATOM 935 CG ASN A 80 15.051 -7.055 10.851 1.00 2.38 C ATOM 936 OD1 ASN A 80 15.691 -7.858 10.202 1.00 1.81 O ATOM 937 ND2 ASN A 80 14.629 -7.368 12.046 1.00 3.52 N ATOM 0 H ASN A 80 14.288 -3.221 11.684 1.00 1.82 H new ATOM 0 HA ASN A 80 16.555 -5.142 11.299 1.00 1.73 H new ATOM 0 HB2 ASN A 80 13.697 -5.407 10.498 1.00 2.23 H new ATOM 0 HB3 ASN A 80 14.840 -5.678 9.197 1.00 2.23 H new ATOM 0 HD21 ASN A 80 14.837 -8.288 12.436 1.00 3.52 H new ATOM 0 HD22 ASN A 80 14.092 -6.693 12.590 1.00 3.52 H new ATOM 944 N GLU A 81 16.544 -4.116 8.690 1.00 0.76 N ATOM 945 CA GLU A 81 16.979 -3.187 7.610 1.00 0.48 C ATOM 946 C GLU A 81 16.815 -3.870 6.251 1.00 0.38 C ATOM 947 O GLU A 81 16.116 -3.386 5.382 1.00 0.18 O ATOM 948 CB GLU A 81 18.450 -2.817 7.820 1.00 0.46 C ATOM 949 CG GLU A 81 18.601 -2.050 9.138 1.00 0.55 C ATOM 950 CD GLU A 81 20.024 -1.498 9.254 1.00 0.50 C ATOM 951 OE1 GLU A 81 20.850 -1.852 8.428 1.00 0.19 O ATOM 952 OE2 GLU A 81 20.266 -0.730 10.173 1.00 1.00 O ATOM 0 H GLU A 81 16.615 -5.109 8.466 1.00 0.76 H new ATOM 0 HA GLU A 81 16.368 -2.285 7.638 1.00 0.48 H new ATOM 0 HB2 GLU A 81 19.063 -3.718 7.839 1.00 0.46 H new ATOM 0 HB3 GLU A 81 18.805 -2.207 6.989 1.00 0.46 H new ATOM 0 HG2 GLU A 81 17.880 -1.234 9.180 1.00 0.55 H new ATOM 0 HG3 GLU A 81 18.386 -2.708 9.980 1.00 0.55 H new ATOM 959 N GLU A 82 17.457 -4.989 6.057 1.00 0.69 N ATOM 960 CA GLU A 82 17.340 -5.696 4.752 1.00 0.77 C ATOM 961 C GLU A 82 16.049 -6.519 4.722 1.00 0.77 C ATOM 962 O GLU A 82 15.461 -6.719 3.681 1.00 0.78 O ATOM 963 CB GLU A 82 18.541 -6.625 4.563 1.00 0.97 C ATOM 964 CG GLU A 82 18.530 -7.185 3.139 1.00 1.16 C ATOM 965 CD GLU A 82 19.854 -6.854 2.448 1.00 0.70 C ATOM 966 OE1 GLU A 82 20.186 -5.682 2.379 1.00 2.48 O ATOM 967 OE2 GLU A 82 20.514 -7.778 2.001 1.00 0.59 O ATOM 0 H GLU A 82 18.057 -5.443 6.745 1.00 0.69 H new ATOM 0 HA GLU A 82 17.318 -4.961 3.947 1.00 0.77 H new ATOM 0 HB2 GLU A 82 19.468 -6.081 4.745 1.00 0.97 H new ATOM 0 HB3 GLU A 82 18.502 -7.439 5.286 1.00 0.97 H new ATOM 0 HG2 GLU A 82 18.380 -8.264 3.163 1.00 1.16 H new ATOM 0 HG3 GLU A 82 17.698 -6.760 2.577 1.00 1.16 H new ATOM 974 N THR A 83 15.595 -6.993 5.851 1.00 0.78 N ATOM 975 CA THR A 83 14.342 -7.794 5.863 1.00 0.80 C ATOM 976 C THR A 83 13.156 -6.850 5.713 1.00 0.65 C ATOM 977 O THR A 83 12.183 -7.152 5.049 1.00 0.62 O ATOM 978 CB THR A 83 14.227 -8.555 7.186 1.00 0.89 C ATOM 979 OG1 THR A 83 15.344 -9.421 7.333 1.00 1.04 O ATOM 980 CG2 THR A 83 12.935 -9.376 7.192 1.00 1.02 C ATOM 0 H THR A 83 16.037 -6.860 6.761 1.00 0.78 H new ATOM 0 HA THR A 83 14.354 -8.511 5.042 1.00 0.80 H new ATOM 0 HB THR A 83 14.208 -7.846 8.014 1.00 0.89 H new ATOM 0 HG1 THR A 83 15.272 -9.907 8.181 1.00 1.04 H new ATOM 0 HG21 THR A 83 12.853 -9.918 8.134 1.00 1.02 H new ATOM 0 HG22 THR A 83 12.080 -8.709 7.081 1.00 1.02 H new ATOM 0 HG23 THR A 83 12.951 -10.086 6.365 1.00 1.02 H new ATOM 988 N CYS A 84 13.232 -5.701 6.321 1.00 0.57 N ATOM 989 CA CYS A 84 12.113 -4.738 6.207 1.00 0.45 C ATOM 990 C CYS A 84 12.071 -4.189 4.783 1.00 0.41 C ATOM 991 O CYS A 84 11.087 -4.323 4.084 1.00 0.49 O ATOM 992 CB CYS A 84 12.318 -3.587 7.194 1.00 0.40 C ATOM 993 SG CYS A 84 11.333 -3.891 8.680 1.00 1.04 S ATOM 0 H CYS A 84 14.020 -5.391 6.890 1.00 0.57 H new ATOM 0 HA CYS A 84 11.174 -5.241 6.437 1.00 0.45 H new ATOM 0 HB2 CYS A 84 13.373 -3.500 7.455 1.00 0.40 H new ATOM 0 HB3 CYS A 84 12.024 -2.643 6.736 1.00 0.40 H new ATOM 998 N LEU A 85 13.138 -3.576 4.345 1.00 0.39 N ATOM 999 CA LEU A 85 13.174 -3.013 2.964 1.00 0.38 C ATOM 1000 C LEU A 85 12.709 -4.069 1.954 1.00 0.45 C ATOM 1001 O LEU A 85 12.033 -3.761 0.992 1.00 0.40 O ATOM 1002 CB LEU A 85 14.605 -2.587 2.628 1.00 0.43 C ATOM 1003 CG LEU A 85 14.604 -1.776 1.330 1.00 0.56 C ATOM 1004 CD1 LEU A 85 14.065 -0.371 1.603 1.00 0.45 C ATOM 1005 CD2 LEU A 85 16.033 -1.679 0.790 1.00 0.80 C ATOM 0 H LEU A 85 13.991 -3.440 4.888 1.00 0.39 H new ATOM 0 HA LEU A 85 12.509 -2.151 2.912 1.00 0.38 H new ATOM 0 HB2 LEU A 85 15.019 -1.991 3.441 1.00 0.43 H new ATOM 0 HB3 LEU A 85 15.242 -3.465 2.520 1.00 0.43 H new ATOM 0 HG LEU A 85 13.969 -2.270 0.594 1.00 0.56 H new ATOM 0 HD11 LEU A 85 14.065 0.205 0.678 1.00 0.45 H new ATOM 0 HD12 LEU A 85 13.047 -0.440 1.987 1.00 0.45 H new ATOM 0 HD13 LEU A 85 14.698 0.125 2.339 1.00 0.45 H new ATOM 0 HD21 LEU A 85 16.034 -1.102 -0.135 1.00 0.80 H new ATOM 0 HD22 LEU A 85 16.668 -1.186 1.526 1.00 0.80 H new ATOM 0 HD23 LEU A 85 16.416 -2.680 0.593 1.00 0.80 H new ATOM 1017 N VAL A 86 13.062 -5.309 2.162 1.00 0.59 N ATOM 1018 CA VAL A 86 12.631 -6.370 1.208 1.00 0.66 C ATOM 1019 C VAL A 86 11.099 -6.407 1.172 1.00 0.53 C ATOM 1020 O VAL A 86 10.492 -6.349 0.118 1.00 0.44 O ATOM 1021 CB VAL A 86 13.198 -7.728 1.663 1.00 0.85 C ATOM 1022 CG1 VAL A 86 12.525 -8.881 0.905 1.00 0.92 C ATOM 1023 CG2 VAL A 86 14.701 -7.765 1.377 1.00 0.97 C ATOM 0 H VAL A 86 13.627 -5.632 2.947 1.00 0.59 H new ATOM 0 HA VAL A 86 13.007 -6.157 0.207 1.00 0.66 H new ATOM 0 HB VAL A 86 13.006 -7.844 2.730 1.00 0.85 H new ATOM 0 HG11 VAL A 86 12.941 -9.830 1.243 1.00 0.92 H new ATOM 0 HG12 VAL A 86 11.452 -8.866 1.098 1.00 0.92 H new ATOM 0 HG13 VAL A 86 12.703 -8.767 -0.164 1.00 0.92 H new ATOM 0 HG21 VAL A 86 15.109 -8.724 1.697 1.00 0.97 H new ATOM 0 HG22 VAL A 86 14.871 -7.637 0.308 1.00 0.97 H new ATOM 0 HG23 VAL A 86 15.195 -6.961 1.922 1.00 0.97 H new ATOM 1033 N LYS A 87 10.470 -6.499 2.310 1.00 0.54 N ATOM 1034 CA LYS A 87 8.982 -6.535 2.331 1.00 0.49 C ATOM 1035 C LYS A 87 8.428 -5.235 1.736 1.00 0.32 C ATOM 1036 O LYS A 87 7.277 -5.160 1.354 1.00 0.39 O ATOM 1037 CB LYS A 87 8.490 -6.686 3.770 1.00 0.59 C ATOM 1038 CG LYS A 87 7.394 -7.751 3.820 1.00 1.30 C ATOM 1039 CD LYS A 87 8.009 -9.127 3.558 1.00 0.46 C ATOM 1040 CE LYS A 87 8.597 -9.676 4.860 1.00 0.68 C ATOM 1041 NZ LYS A 87 8.926 -11.119 4.690 1.00 1.07 N ATOM 0 H LYS A 87 10.920 -6.551 3.224 1.00 0.54 H new ATOM 0 HA LYS A 87 8.635 -7.383 1.740 1.00 0.49 H new ATOM 0 HB2 LYS A 87 9.317 -6.968 4.422 1.00 0.59 H new ATOM 0 HB3 LYS A 87 8.105 -5.734 4.137 1.00 0.59 H new ATOM 0 HG2 LYS A 87 6.904 -7.739 4.794 1.00 1.30 H new ATOM 0 HG3 LYS A 87 6.628 -7.535 3.075 1.00 1.30 H new ATOM 0 HD2 LYS A 87 7.251 -9.809 3.172 1.00 0.46 H new ATOM 0 HD3 LYS A 87 8.787 -9.051 2.798 1.00 0.46 H new ATOM 0 HE2 LYS A 87 9.493 -9.118 5.130 1.00 0.68 H new ATOM 0 HE3 LYS A 87 7.884 -9.549 5.675 1.00 0.68 H new ATOM 0 HZ1 LYS A 87 9.325 -11.491 5.575 1.00 1.07 H new ATOM 0 HZ2 LYS A 87 8.062 -11.646 4.452 1.00 1.07 H new ATOM 0 HZ3 LYS A 87 9.621 -11.229 3.924 1.00 1.07 H new ATOM 1055 N ILE A 88 9.235 -4.211 1.657 1.00 0.21 N ATOM 1056 CA ILE A 88 8.753 -2.921 1.087 1.00 0.15 C ATOM 1057 C ILE A 88 8.783 -2.997 -0.441 1.00 0.20 C ATOM 1058 O ILE A 88 7.973 -2.397 -1.117 1.00 0.24 O ATOM 1059 CB ILE A 88 9.662 -1.786 1.563 1.00 0.25 C ATOM 1060 CG1 ILE A 88 9.592 -1.680 3.091 1.00 0.30 C ATOM 1061 CG2 ILE A 88 9.216 -0.463 0.935 1.00 0.20 C ATOM 1062 CD1 ILE A 88 8.165 -1.348 3.525 1.00 0.43 C ATOM 0 H ILE A 88 10.208 -4.213 1.963 1.00 0.21 H new ATOM 0 HA ILE A 88 7.732 -2.732 1.419 1.00 0.15 H new ATOM 0 HB ILE A 88 10.688 -1.997 1.260 1.00 0.25 H new ATOM 0 HG12 ILE A 88 9.910 -2.619 3.544 1.00 0.30 H new ATOM 0 HG13 ILE A 88 10.277 -0.908 3.442 1.00 0.30 H new ATOM 0 HG21 ILE A 88 9.868 0.341 1.278 1.00 0.20 H new ATOM 0 HG22 ILE A 88 9.274 -0.538 -0.151 1.00 0.20 H new ATOM 0 HG23 ILE A 88 8.189 -0.248 1.230 1.00 0.20 H new ATOM 0 HD11 ILE A 88 8.123 -1.274 4.612 1.00 0.43 H new ATOM 0 HD12 ILE A 88 7.863 -0.398 3.085 1.00 0.43 H new ATOM 0 HD13 ILE A 88 7.490 -2.135 3.188 1.00 0.43 H new ATOM 1074 N ILE A 89 9.711 -3.731 -0.992 1.00 0.30 N ATOM 1075 CA ILE A 89 9.781 -3.840 -2.475 1.00 0.35 C ATOM 1076 C ILE A 89 8.643 -4.749 -2.955 1.00 0.32 C ATOM 1077 O ILE A 89 7.780 -4.328 -3.702 1.00 0.27 O ATOM 1078 CB ILE A 89 11.152 -4.400 -2.871 1.00 0.38 C ATOM 1079 CG1 ILE A 89 12.226 -3.407 -2.409 1.00 0.32 C ATOM 1080 CG2 ILE A 89 11.240 -4.577 -4.395 1.00 0.46 C ATOM 1081 CD1 ILE A 89 13.613 -3.917 -2.798 1.00 1.04 C ATOM 0 H ILE A 89 10.420 -4.257 -0.481 1.00 0.30 H new ATOM 0 HA ILE A 89 9.665 -2.863 -2.944 1.00 0.35 H new ATOM 0 HB ILE A 89 11.300 -5.373 -2.402 1.00 0.38 H new ATOM 0 HG12 ILE A 89 12.049 -2.431 -2.861 1.00 0.32 H new ATOM 0 HG13 ILE A 89 12.169 -3.273 -1.329 1.00 0.32 H new ATOM 0 HG21 ILE A 89 12.220 -4.975 -4.659 1.00 0.46 H new ATOM 0 HG22 ILE A 89 10.466 -5.269 -4.726 1.00 0.46 H new ATOM 0 HG23 ILE A 89 11.097 -3.612 -4.882 1.00 0.46 H new ATOM 0 HD11 ILE A 89 14.369 -3.205 -2.466 1.00 1.04 H new ATOM 0 HD12 ILE A 89 13.791 -4.883 -2.325 1.00 1.04 H new ATOM 0 HD13 ILE A 89 13.670 -4.027 -3.881 1.00 1.04 H new ATOM 1093 N THR A 90 8.600 -5.979 -2.511 1.00 0.37 N ATOM 1094 CA THR A 90 7.481 -6.870 -2.940 1.00 0.37 C ATOM 1095 C THR A 90 6.179 -6.339 -2.345 1.00 0.26 C ATOM 1096 O THR A 90 5.113 -6.497 -2.906 1.00 0.32 O ATOM 1097 CB THR A 90 7.708 -8.300 -2.439 1.00 0.55 C ATOM 1098 OG1 THR A 90 6.539 -9.070 -2.681 1.00 1.83 O ATOM 1099 CG2 THR A 90 8.001 -8.283 -0.939 1.00 1.00 C ATOM 0 H THR A 90 9.281 -6.400 -1.879 1.00 0.37 H new ATOM 0 HA THR A 90 7.432 -6.882 -4.029 1.00 0.37 H new ATOM 0 HB THR A 90 8.556 -8.738 -2.966 1.00 0.55 H new ATOM 0 HG1 THR A 90 6.679 -9.986 -2.364 1.00 1.83 H new ATOM 0 HG21 THR A 90 8.162 -9.302 -0.588 1.00 1.00 H new ATOM 0 HG22 THR A 90 8.895 -7.689 -0.750 1.00 1.00 H new ATOM 0 HG23 THR A 90 7.156 -7.845 -0.408 1.00 1.00 H new ATOM 1107 N GLY A 91 6.264 -5.707 -1.207 1.00 0.30 N ATOM 1108 CA GLY A 91 5.039 -5.161 -0.564 1.00 0.22 C ATOM 1109 C GLY A 91 4.423 -4.096 -1.469 1.00 0.26 C ATOM 1110 O GLY A 91 3.220 -4.012 -1.616 1.00 0.35 O ATOM 0 H GLY A 91 7.131 -5.546 -0.695 1.00 0.30 H new ATOM 0 HA2 GLY A 91 4.321 -5.962 -0.385 1.00 0.22 H new ATOM 0 HA3 GLY A 91 5.285 -4.731 0.407 1.00 0.22 H new ATOM 1114 N LEU A 92 5.238 -3.281 -2.077 1.00 0.22 N ATOM 1115 CA LEU A 92 4.698 -2.220 -2.970 1.00 0.27 C ATOM 1116 C LEU A 92 4.274 -2.838 -4.307 1.00 0.33 C ATOM 1117 O LEU A 92 3.485 -2.269 -5.031 1.00 0.33 O ATOM 1118 CB LEU A 92 5.770 -1.156 -3.211 1.00 0.25 C ATOM 1119 CG LEU A 92 5.900 -0.273 -1.967 1.00 0.26 C ATOM 1120 CD1 LEU A 92 6.999 0.767 -2.192 1.00 0.36 C ATOM 1121 CD2 LEU A 92 4.570 0.439 -1.710 1.00 0.71 C ATOM 0 H LEU A 92 6.254 -3.304 -1.994 1.00 0.22 H new ATOM 0 HA LEU A 92 3.832 -1.757 -2.497 1.00 0.27 H new ATOM 0 HB2 LEU A 92 6.725 -1.631 -3.435 1.00 0.25 H new ATOM 0 HB3 LEU A 92 5.506 -0.548 -4.076 1.00 0.25 H new ATOM 0 HG LEU A 92 6.156 -0.891 -1.106 1.00 0.26 H new ATOM 0 HD11 LEU A 92 7.092 1.396 -1.306 1.00 0.36 H new ATOM 0 HD12 LEU A 92 7.946 0.261 -2.378 1.00 0.36 H new ATOM 0 HD13 LEU A 92 6.743 1.386 -3.052 1.00 0.36 H new ATOM 0 HD21 LEU A 92 4.659 1.069 -0.825 1.00 0.71 H new ATOM 0 HD22 LEU A 92 4.316 1.057 -2.571 1.00 0.71 H new ATOM 0 HD23 LEU A 92 3.786 -0.301 -1.551 1.00 0.71 H new ATOM 1133 N LEU A 93 4.782 -3.998 -4.640 1.00 0.43 N ATOM 1134 CA LEU A 93 4.375 -4.644 -5.929 1.00 0.51 C ATOM 1135 C LEU A 93 2.918 -5.105 -5.799 1.00 0.44 C ATOM 1136 O LEU A 93 2.053 -4.741 -6.587 1.00 0.42 O ATOM 1137 CB LEU A 93 5.267 -5.859 -6.204 1.00 0.63 C ATOM 1138 CG LEU A 93 6.708 -5.406 -6.449 1.00 0.68 C ATOM 1139 CD1 LEU A 93 7.636 -6.621 -6.431 1.00 0.83 C ATOM 1140 CD2 LEU A 93 6.801 -4.716 -7.812 1.00 0.46 C ATOM 0 H LEU A 93 5.455 -4.523 -4.082 1.00 0.43 H new ATOM 0 HA LEU A 93 4.478 -3.934 -6.750 1.00 0.51 H new ATOM 0 HB2 LEU A 93 5.232 -6.545 -5.358 1.00 0.63 H new ATOM 0 HB3 LEU A 93 4.896 -6.404 -7.072 1.00 0.63 H new ATOM 0 HG LEU A 93 7.006 -4.709 -5.666 1.00 0.68 H new ATOM 0 HD11 LEU A 93 8.662 -6.298 -6.606 1.00 0.83 H new ATOM 0 HD12 LEU A 93 7.571 -7.114 -5.461 1.00 0.83 H new ATOM 0 HD13 LEU A 93 7.337 -7.319 -7.213 1.00 0.83 H new ATOM 0 HD21 LEU A 93 7.827 -4.393 -7.987 1.00 0.46 H new ATOM 0 HD22 LEU A 93 6.502 -5.414 -8.594 1.00 0.46 H new ATOM 0 HD23 LEU A 93 6.140 -3.849 -7.827 1.00 0.46 H new ATOM 1152 N GLU A 94 2.634 -5.889 -4.793 1.00 0.44 N ATOM 1153 CA GLU A 94 1.239 -6.353 -4.586 1.00 0.39 C ATOM 1154 C GLU A 94 0.367 -5.117 -4.388 1.00 0.33 C ATOM 1155 O GLU A 94 -0.713 -5.003 -4.932 1.00 0.31 O ATOM 1156 CB GLU A 94 1.171 -7.239 -3.339 1.00 0.41 C ATOM 1157 CG GLU A 94 1.042 -8.704 -3.758 1.00 0.78 C ATOM 1158 CD GLU A 94 -0.248 -9.289 -3.184 1.00 1.24 C ATOM 1159 OE1 GLU A 94 -1.296 -9.044 -3.759 1.00 2.02 O ATOM 1160 OE2 GLU A 94 -0.169 -9.975 -2.178 1.00 1.50 O ATOM 0 H GLU A 94 3.310 -6.226 -4.108 1.00 0.44 H new ATOM 0 HA GLU A 94 0.895 -6.932 -5.443 1.00 0.39 H new ATOM 0 HB2 GLU A 94 2.066 -7.101 -2.733 1.00 0.41 H new ATOM 0 HB3 GLU A 94 0.320 -6.951 -2.721 1.00 0.41 H new ATOM 0 HG2 GLU A 94 1.037 -8.783 -4.845 1.00 0.78 H new ATOM 0 HG3 GLU A 94 1.901 -9.272 -3.401 1.00 0.78 H new ATOM 1167 N PHE A 95 0.853 -4.173 -3.629 1.00 0.32 N ATOM 1168 CA PHE A 95 0.079 -2.926 -3.413 1.00 0.30 C ATOM 1169 C PHE A 95 -0.167 -2.282 -4.770 1.00 0.31 C ATOM 1170 O PHE A 95 -1.159 -1.630 -4.982 1.00 0.35 O ATOM 1171 CB PHE A 95 0.892 -1.956 -2.555 1.00 0.30 C ATOM 1172 CG PHE A 95 0.665 -2.240 -1.094 1.00 0.33 C ATOM 1173 CD1 PHE A 95 -0.630 -2.455 -0.611 1.00 0.92 C ATOM 1174 CD2 PHE A 95 1.755 -2.284 -0.221 1.00 1.02 C ATOM 1175 CE1 PHE A 95 -0.833 -2.715 0.746 1.00 0.89 C ATOM 1176 CE2 PHE A 95 1.555 -2.543 1.136 1.00 1.06 C ATOM 1177 CZ PHE A 95 0.259 -2.760 1.623 1.00 0.40 C ATOM 0 H PHE A 95 1.753 -4.215 -3.151 1.00 0.32 H new ATOM 0 HA PHE A 95 -0.861 -3.155 -2.911 1.00 0.30 H new ATOM 0 HB2 PHE A 95 1.952 -2.051 -2.791 1.00 0.30 H new ATOM 0 HB3 PHE A 95 0.605 -0.929 -2.782 1.00 0.30 H new ATOM 0 HD1 PHE A 95 -1.472 -2.420 -1.287 1.00 0.92 H new ATOM 0 HD2 PHE A 95 2.754 -2.117 -0.597 1.00 1.02 H new ATOM 0 HE1 PHE A 95 -1.832 -2.882 1.120 1.00 0.89 H new ATOM 0 HE2 PHE A 95 2.398 -2.576 1.810 1.00 1.06 H new ATOM 0 HZ PHE A 95 0.102 -2.962 2.672 1.00 0.40 H new ATOM 1187 N GLU A 96 0.749 -2.467 -5.681 1.00 0.33 N ATOM 1188 CA GLU A 96 0.610 -1.875 -7.041 1.00 0.41 C ATOM 1189 C GLU A 96 -0.679 -2.368 -7.684 1.00 0.34 C ATOM 1190 O GLU A 96 -1.447 -1.595 -8.213 1.00 0.34 O ATOM 1191 CB GLU A 96 1.796 -2.301 -7.895 1.00 0.57 C ATOM 1192 CG GLU A 96 2.245 -1.134 -8.770 1.00 0.37 C ATOM 1193 CD GLU A 96 2.193 -1.547 -10.241 1.00 1.27 C ATOM 1194 OE1 GLU A 96 1.249 -2.224 -10.613 1.00 1.32 O ATOM 1195 OE2 GLU A 96 3.099 -1.181 -10.972 1.00 2.21 O ATOM 0 H GLU A 96 1.600 -3.011 -5.538 1.00 0.33 H new ATOM 0 HA GLU A 96 0.582 -0.788 -6.965 1.00 0.41 H new ATOM 0 HB2 GLU A 96 2.617 -2.627 -7.257 1.00 0.57 H new ATOM 0 HB3 GLU A 96 1.520 -3.151 -8.519 1.00 0.57 H new ATOM 0 HG2 GLU A 96 1.601 -0.271 -8.601 1.00 0.37 H new ATOM 0 HG3 GLU A 96 3.258 -0.834 -8.502 1.00 0.37 H new ATOM 1202 N VAL A 97 -0.932 -3.648 -7.644 1.00 0.31 N ATOM 1203 CA VAL A 97 -2.203 -4.154 -8.251 1.00 0.26 C ATOM 1204 C VAL A 97 -3.372 -3.554 -7.460 1.00 0.23 C ATOM 1205 O VAL A 97 -4.441 -3.305 -7.989 1.00 0.25 O ATOM 1206 CB VAL A 97 -2.248 -5.690 -8.212 1.00 0.27 C ATOM 1207 CG1 VAL A 97 -2.260 -6.194 -6.766 1.00 0.23 C ATOM 1208 CG2 VAL A 97 -3.511 -6.179 -8.925 1.00 0.26 C ATOM 0 H VAL A 97 -0.328 -4.356 -7.226 1.00 0.31 H new ATOM 0 HA VAL A 97 -2.267 -3.856 -9.297 1.00 0.26 H new ATOM 0 HB VAL A 97 -1.360 -6.077 -8.712 1.00 0.27 H new ATOM 0 HG11 VAL A 97 -2.292 -7.284 -6.761 1.00 0.23 H new ATOM 0 HG12 VAL A 97 -1.359 -5.855 -6.255 1.00 0.23 H new ATOM 0 HG13 VAL A 97 -3.138 -5.803 -6.252 1.00 0.23 H new ATOM 0 HG21 VAL A 97 -3.545 -7.268 -8.899 1.00 0.26 H new ATOM 0 HG22 VAL A 97 -4.391 -5.776 -8.424 1.00 0.26 H new ATOM 0 HG23 VAL A 97 -3.498 -5.841 -9.961 1.00 0.26 H new ATOM 1218 N TYR A 98 -3.166 -3.284 -6.198 1.00 0.23 N ATOM 1219 CA TYR A 98 -4.250 -2.671 -5.385 1.00 0.25 C ATOM 1220 C TYR A 98 -4.377 -1.198 -5.777 1.00 0.31 C ATOM 1221 O TYR A 98 -5.422 -0.594 -5.638 1.00 0.33 O ATOM 1222 CB TYR A 98 -3.913 -2.802 -3.901 1.00 0.26 C ATOM 1223 CG TYR A 98 -4.259 -4.200 -3.456 1.00 0.28 C ATOM 1224 CD1 TYR A 98 -5.601 -4.581 -3.340 1.00 0.61 C ATOM 1225 CD2 TYR A 98 -3.243 -5.120 -3.177 1.00 0.44 C ATOM 1226 CE1 TYR A 98 -5.927 -5.883 -2.944 1.00 0.90 C ATOM 1227 CE2 TYR A 98 -3.568 -6.423 -2.784 1.00 0.75 C ATOM 1228 CZ TYR A 98 -4.912 -6.804 -2.667 1.00 0.94 C ATOM 1229 OH TYR A 98 -5.235 -8.089 -2.282 1.00 1.29 O ATOM 0 H TYR A 98 -2.295 -3.462 -5.698 1.00 0.23 H new ATOM 0 HA TYR A 98 -5.197 -3.179 -5.569 1.00 0.25 H new ATOM 0 HB2 TYR A 98 -2.855 -2.602 -3.733 1.00 0.26 H new ATOM 0 HB3 TYR A 98 -4.472 -2.069 -3.319 1.00 0.26 H new ATOM 0 HD1 TYR A 98 -6.385 -3.870 -3.556 1.00 0.61 H new ATOM 0 HD2 TYR A 98 -2.208 -4.825 -3.265 1.00 0.44 H new ATOM 0 HE1 TYR A 98 -6.962 -6.176 -2.852 1.00 0.90 H new ATOM 0 HE2 TYR A 98 -2.784 -7.135 -2.571 1.00 0.75 H new ATOM 0 HH TYR A 98 -6.179 -8.125 -2.021 1.00 1.29 H new ATOM 1239 N LEU A 99 -3.328 -0.629 -6.312 1.00 0.34 N ATOM 1240 CA LEU A 99 -3.390 0.780 -6.766 1.00 0.40 C ATOM 1241 C LEU A 99 -4.212 0.782 -8.040 1.00 0.38 C ATOM 1242 O LEU A 99 -4.995 1.671 -8.295 1.00 0.35 O ATOM 1243 CB LEU A 99 -1.985 1.300 -7.064 1.00 0.47 C ATOM 1244 CG LEU A 99 -1.201 1.425 -5.763 1.00 0.58 C ATOM 1245 CD1 LEU A 99 0.255 1.781 -6.069 1.00 0.63 C ATOM 1246 CD2 LEU A 99 -1.826 2.523 -4.909 1.00 0.49 C ATOM 0 H LEU A 99 -2.428 -1.088 -6.452 1.00 0.34 H new ATOM 0 HA LEU A 99 -3.830 1.419 -6.001 1.00 0.40 H new ATOM 0 HB2 LEU A 99 -1.472 0.622 -7.746 1.00 0.47 H new ATOM 0 HB3 LEU A 99 -2.042 2.269 -7.561 1.00 0.47 H new ATOM 0 HG LEU A 99 -1.231 0.477 -5.226 1.00 0.58 H new ATOM 0 HD11 LEU A 99 0.812 1.869 -5.136 1.00 0.63 H new ATOM 0 HD12 LEU A 99 0.699 0.998 -6.684 1.00 0.63 H new ATOM 0 HD13 LEU A 99 0.293 2.729 -6.605 1.00 0.63 H new ATOM 0 HD21 LEU A 99 -1.271 2.619 -3.976 1.00 0.49 H new ATOM 0 HD22 LEU A 99 -1.792 3.469 -5.450 1.00 0.49 H new ATOM 0 HD23 LEU A 99 -2.863 2.268 -4.690 1.00 0.49 H new ATOM 1258 N GLU A 100 -4.076 -0.266 -8.814 1.00 0.40 N ATOM 1259 CA GLU A 100 -4.883 -0.401 -10.045 1.00 0.39 C ATOM 1260 C GLU A 100 -6.338 -0.404 -9.582 1.00 0.38 C ATOM 1261 O GLU A 100 -7.226 0.102 -10.239 1.00 0.39 O ATOM 1262 CB GLU A 100 -4.502 -1.726 -10.735 1.00 0.43 C ATOM 1263 CG GLU A 100 -5.619 -2.217 -11.657 1.00 1.03 C ATOM 1264 CD GLU A 100 -5.888 -1.170 -12.740 1.00 0.47 C ATOM 1265 OE1 GLU A 100 -5.078 -1.063 -13.646 1.00 1.74 O ATOM 1266 OE2 GLU A 100 -6.898 -0.494 -12.645 1.00 1.13 O ATOM 0 H GLU A 100 -3.432 -1.036 -8.636 1.00 0.40 H new ATOM 0 HA GLU A 100 -4.716 0.402 -10.763 1.00 0.39 H new ATOM 0 HB2 GLU A 100 -3.587 -1.588 -11.311 1.00 0.43 H new ATOM 0 HB3 GLU A 100 -4.292 -2.484 -9.980 1.00 0.43 H new ATOM 0 HG2 GLU A 100 -5.336 -3.165 -12.115 1.00 1.03 H new ATOM 0 HG3 GLU A 100 -6.526 -2.400 -11.081 1.00 1.03 H new ATOM 1273 N TYR A 101 -6.561 -0.948 -8.413 1.00 0.36 N ATOM 1274 CA TYR A 101 -7.923 -0.970 -7.837 1.00 0.36 C ATOM 1275 C TYR A 101 -8.398 0.460 -7.626 1.00 0.35 C ATOM 1276 O TYR A 101 -9.469 0.843 -8.048 1.00 0.36 O ATOM 1277 CB TYR A 101 -7.884 -1.691 -6.488 1.00 0.36 C ATOM 1278 CG TYR A 101 -9.137 -2.509 -6.321 1.00 0.26 C ATOM 1279 CD1 TYR A 101 -9.547 -3.358 -7.349 1.00 0.30 C ATOM 1280 CD2 TYR A 101 -9.886 -2.417 -5.143 1.00 0.30 C ATOM 1281 CE1 TYR A 101 -10.712 -4.118 -7.211 1.00 0.38 C ATOM 1282 CE2 TYR A 101 -11.052 -3.179 -5.001 1.00 0.30 C ATOM 1283 CZ TYR A 101 -11.464 -4.030 -6.034 1.00 0.35 C ATOM 1284 OH TYR A 101 -12.618 -4.773 -5.891 1.00 0.48 O ATOM 0 H TYR A 101 -5.843 -1.381 -7.832 1.00 0.36 H new ATOM 0 HA TYR A 101 -8.603 -1.488 -8.513 1.00 0.36 H new ATOM 0 HB2 TYR A 101 -7.006 -2.335 -6.433 1.00 0.36 H new ATOM 0 HB3 TYR A 101 -7.799 -0.966 -5.678 1.00 0.36 H new ATOM 0 HD1 TYR A 101 -8.962 -3.428 -8.254 1.00 0.30 H new ATOM 0 HD2 TYR A 101 -9.566 -1.761 -4.347 1.00 0.30 H new ATOM 0 HE1 TYR A 101 -11.031 -4.771 -8.010 1.00 0.38 H new ATOM 0 HE2 TYR A 101 -11.634 -3.110 -4.094 1.00 0.30 H new ATOM 0 HH TYR A 101 -12.683 -5.102 -4.970 1.00 0.48 H new ATOM 1294 N LEU A 102 -7.607 1.244 -6.965 1.00 0.32 N ATOM 1295 CA LEU A 102 -7.999 2.651 -6.698 1.00 0.32 C ATOM 1296 C LEU A 102 -7.487 3.554 -7.821 1.00 0.33 C ATOM 1297 O LEU A 102 -7.487 4.761 -7.701 1.00 0.35 O ATOM 1298 CB LEU A 102 -7.387 3.097 -5.368 1.00 0.31 C ATOM 1299 CG LEU A 102 -7.535 1.983 -4.326 1.00 0.33 C ATOM 1300 CD1 LEU A 102 -6.210 1.790 -3.593 1.00 0.35 C ATOM 1301 CD2 LEU A 102 -8.626 2.370 -3.335 1.00 0.32 C ATOM 0 H LEU A 102 -6.697 0.971 -6.594 1.00 0.32 H new ATOM 0 HA LEU A 102 -9.086 2.723 -6.649 1.00 0.32 H new ATOM 0 HB2 LEU A 102 -6.333 3.340 -5.506 1.00 0.31 H new ATOM 0 HB3 LEU A 102 -7.880 4.003 -5.017 1.00 0.31 H new ATOM 0 HG LEU A 102 -7.807 1.049 -4.818 1.00 0.33 H new ATOM 0 HD11 LEU A 102 -6.316 0.998 -2.852 1.00 0.35 H new ATOM 0 HD12 LEU A 102 -5.435 1.516 -4.309 1.00 0.35 H new ATOM 0 HD13 LEU A 102 -5.932 2.718 -3.094 1.00 0.35 H new ATOM 0 HD21 LEU A 102 -8.737 1.582 -2.590 1.00 0.32 H new ATOM 0 HD22 LEU A 102 -8.354 3.302 -2.839 1.00 0.32 H new ATOM 0 HD23 LEU A 102 -9.569 2.503 -3.866 1.00 0.32 H new ATOM 1313 N GLN A 103 -7.044 2.986 -8.908 1.00 0.32 N ATOM 1314 CA GLN A 103 -6.529 3.828 -10.017 1.00 0.33 C ATOM 1315 C GLN A 103 -7.698 4.302 -10.881 1.00 0.25 C ATOM 1316 O GLN A 103 -7.660 5.365 -11.468 1.00 0.33 O ATOM 1317 CB GLN A 103 -5.565 3.007 -10.874 1.00 0.37 C ATOM 1318 CG GLN A 103 -4.954 3.901 -11.956 1.00 0.47 C ATOM 1319 CD GLN A 103 -4.051 3.059 -12.857 1.00 0.64 C ATOM 1320 OE1 GLN A 103 -3.602 1.999 -12.468 1.00 1.37 O ATOM 1321 NE2 GLN A 103 -3.763 3.487 -14.056 1.00 0.91 N ATOM 0 H GLN A 103 -7.017 1.980 -9.074 1.00 0.32 H new ATOM 0 HA GLN A 103 -6.006 4.691 -9.605 1.00 0.33 H new ATOM 0 HB2 GLN A 103 -4.778 2.584 -10.250 1.00 0.37 H new ATOM 0 HB3 GLN A 103 -6.092 2.171 -11.333 1.00 0.37 H new ATOM 0 HG2 GLN A 103 -5.743 4.368 -12.546 1.00 0.47 H new ATOM 0 HG3 GLN A 103 -4.380 4.706 -11.497 1.00 0.47 H new ATOM 0 HE21 GLN A 103 -4.139 4.377 -14.384 1.00 0.91 H new ATOM 0 HE22 GLN A 103 -3.162 2.932 -14.665 1.00 0.91 H new ATOM 1330 N ASN A 104 -8.733 3.511 -10.978 1.00 0.39 N ATOM 1331 CA ASN A 104 -9.896 3.911 -11.821 1.00 0.32 C ATOM 1332 C ASN A 104 -11.195 3.874 -11.003 1.00 0.31 C ATOM 1333 O ASN A 104 -12.178 4.488 -11.369 1.00 0.32 O ATOM 1334 CB ASN A 104 -10.013 2.942 -13.000 1.00 0.38 C ATOM 1335 CG ASN A 104 -10.084 3.733 -14.307 1.00 0.66 C ATOM 1336 OD1 ASN A 104 -9.087 3.909 -14.979 1.00 1.66 O ATOM 1337 ND2 ASN A 104 -11.228 4.222 -14.699 1.00 1.10 N ATOM 0 H ASN A 104 -8.823 2.608 -10.512 1.00 0.39 H new ATOM 0 HA ASN A 104 -9.740 4.928 -12.181 1.00 0.32 H new ATOM 0 HB2 ASN A 104 -9.156 2.268 -13.017 1.00 0.38 H new ATOM 0 HB3 ASN A 104 -10.903 2.323 -12.889 1.00 0.38 H new ATOM 0 HD21 ASN A 104 -11.285 4.752 -15.569 1.00 1.10 H new ATOM 0 HD22 ASN A 104 -12.065 4.075 -14.136 1.00 1.10 H new ATOM 1344 N ARG A 105 -11.219 3.159 -9.910 1.00 0.30 N ATOM 1345 CA ARG A 105 -12.467 3.089 -9.098 1.00 0.29 C ATOM 1346 C ARG A 105 -12.834 4.482 -8.581 1.00 0.28 C ATOM 1347 O ARG A 105 -13.975 4.757 -8.271 1.00 0.24 O ATOM 1348 CB ARG A 105 -12.258 2.147 -7.911 1.00 0.28 C ATOM 1349 CG ARG A 105 -13.596 1.518 -7.519 1.00 0.38 C ATOM 1350 CD ARG A 105 -14.132 2.198 -6.258 1.00 1.54 C ATOM 1351 NE ARG A 105 -15.537 1.760 -6.018 1.00 1.82 N ATOM 1352 CZ ARG A 105 -15.894 1.337 -4.836 1.00 2.34 C ATOM 1353 NH1 ARG A 105 -15.659 0.102 -4.488 1.00 2.46 N ATOM 1354 NH2 ARG A 105 -16.490 2.147 -4.005 1.00 3.50 N ATOM 0 H ARG A 105 -10.431 2.623 -9.546 1.00 0.30 H new ATOM 0 HA ARG A 105 -13.276 2.713 -9.725 1.00 0.29 H new ATOM 0 HB2 ARG A 105 -11.541 1.369 -8.172 1.00 0.28 H new ATOM 0 HB3 ARG A 105 -11.840 2.695 -7.067 1.00 0.28 H new ATOM 0 HG2 ARG A 105 -14.312 1.624 -8.334 1.00 0.38 H new ATOM 0 HG3 ARG A 105 -13.470 0.450 -7.343 1.00 0.38 H new ATOM 0 HD2 ARG A 105 -13.509 1.943 -5.401 1.00 1.54 H new ATOM 0 HD3 ARG A 105 -14.091 3.281 -6.371 1.00 1.54 H new ATOM 0 HE ARG A 105 -16.218 1.791 -6.777 1.00 1.82 H new ATOM 0 HH11 ARG A 105 -15.197 -0.532 -5.139 1.00 2.46 H new ATOM 0 HH12 ARG A 105 -15.938 -0.229 -3.564 1.00 2.46 H new ATOM 0 HH21 ARG A 105 -16.677 3.112 -4.279 1.00 3.50 H new ATOM 0 HH22 ARG A 105 -16.769 1.816 -3.081 1.00 3.50 H new ATOM 1368 N PHE A 106 -11.879 5.364 -8.482 1.00 0.33 N ATOM 1369 CA PHE A 106 -12.190 6.732 -7.979 1.00 0.31 C ATOM 1370 C PHE A 106 -12.695 7.602 -9.132 1.00 0.24 C ATOM 1371 O PHE A 106 -11.961 8.374 -9.709 1.00 0.27 O ATOM 1372 CB PHE A 106 -10.930 7.354 -7.376 1.00 0.37 C ATOM 1373 CG PHE A 106 -10.965 7.184 -5.876 1.00 0.38 C ATOM 1374 CD1 PHE A 106 -11.669 8.098 -5.084 1.00 0.91 C ATOM 1375 CD2 PHE A 106 -10.297 6.108 -5.279 1.00 0.71 C ATOM 1376 CE1 PHE A 106 -11.706 7.937 -3.694 1.00 0.97 C ATOM 1377 CE2 PHE A 106 -10.334 5.948 -3.888 1.00 0.65 C ATOM 1378 CZ PHE A 106 -11.038 6.862 -3.096 1.00 0.43 C ATOM 0 H PHE A 106 -10.902 5.199 -8.726 1.00 0.33 H new ATOM 0 HA PHE A 106 -12.963 6.669 -7.213 1.00 0.31 H new ATOM 0 HB2 PHE A 106 -10.041 6.877 -7.788 1.00 0.37 H new ATOM 0 HB3 PHE A 106 -10.872 8.412 -7.633 1.00 0.37 H new ATOM 0 HD1 PHE A 106 -12.184 8.928 -5.545 1.00 0.91 H new ATOM 0 HD2 PHE A 106 -9.754 5.402 -5.890 1.00 0.71 H new ATOM 0 HE1 PHE A 106 -12.250 8.642 -3.083 1.00 0.97 H new ATOM 0 HE2 PHE A 106 -9.819 5.119 -3.426 1.00 0.65 H new ATOM 0 HZ PHE A 106 -11.066 6.738 -2.024 1.00 0.43 H new ATOM 1388 N GLU A 107 -13.949 7.486 -9.468 1.00 0.23 N ATOM 1389 CA GLU A 107 -14.500 8.309 -10.579 1.00 0.21 C ATOM 1390 C GLU A 107 -14.747 9.738 -10.076 1.00 0.20 C ATOM 1391 O GLU A 107 -14.757 10.682 -10.840 1.00 0.21 O ATOM 1392 CB GLU A 107 -15.819 7.691 -11.061 1.00 0.15 C ATOM 1393 CG GLU A 107 -16.501 8.631 -12.059 1.00 1.56 C ATOM 1394 CD GLU A 107 -17.091 7.817 -13.212 1.00 1.87 C ATOM 1395 OE1 GLU A 107 -17.933 6.975 -12.948 1.00 1.11 O ATOM 1396 OE2 GLU A 107 -16.690 8.050 -14.341 1.00 3.27 O ATOM 0 H GLU A 107 -14.616 6.857 -9.021 1.00 0.23 H new ATOM 0 HA GLU A 107 -13.791 8.336 -11.407 1.00 0.21 H new ATOM 0 HB2 GLU A 107 -15.628 6.725 -11.529 1.00 0.15 H new ATOM 0 HB3 GLU A 107 -16.477 7.509 -10.211 1.00 0.15 H new ATOM 0 HG2 GLU A 107 -17.288 9.197 -11.561 1.00 1.56 H new ATOM 0 HG3 GLU A 107 -15.781 9.354 -12.442 1.00 1.56 H new ATOM 1403 N SER A 108 -14.941 9.898 -8.798 1.00 0.20 N ATOM 1404 CA SER A 108 -15.183 11.260 -8.242 1.00 0.23 C ATOM 1405 C SER A 108 -13.847 11.865 -7.823 1.00 0.27 C ATOM 1406 O SER A 108 -13.529 12.994 -8.139 1.00 0.37 O ATOM 1407 CB SER A 108 -16.102 11.158 -7.024 1.00 0.21 C ATOM 1408 OG SER A 108 -17.431 10.903 -7.457 1.00 0.72 O ATOM 0 H SER A 108 -14.943 9.143 -8.112 1.00 0.20 H new ATOM 0 HA SER A 108 -15.655 11.890 -8.996 1.00 0.23 H new ATOM 0 HB2 SER A 108 -15.763 10.359 -6.364 1.00 0.21 H new ATOM 0 HB3 SER A 108 -16.066 12.083 -6.449 1.00 0.21 H new ATOM 0 HG SER A 108 -18.022 10.835 -6.678 1.00 0.72 H new ATOM 1414 N SER A 109 -13.063 11.104 -7.119 1.00 0.21 N ATOM 1415 CA SER A 109 -11.733 11.597 -6.671 1.00 0.28 C ATOM 1416 C SER A 109 -10.662 10.916 -7.518 1.00 0.27 C ATOM 1417 O SER A 109 -9.646 10.475 -7.024 1.00 0.38 O ATOM 1418 CB SER A 109 -11.527 11.243 -5.198 1.00 0.39 C ATOM 1419 OG SER A 109 -11.310 12.432 -4.451 1.00 0.47 O ATOM 0 H SER A 109 -13.288 10.152 -6.831 1.00 0.21 H new ATOM 0 HA SER A 109 -11.671 12.679 -6.786 1.00 0.28 H new ATOM 0 HB2 SER A 109 -12.400 10.714 -4.815 1.00 0.39 H new ATOM 0 HB3 SER A 109 -10.675 10.572 -5.090 1.00 0.39 H new ATOM 0 HG SER A 109 -11.180 12.206 -3.506 1.00 0.47 H new ATOM 1425 N GLU A 110 -10.903 10.812 -8.794 1.00 0.20 N ATOM 1426 CA GLU A 110 -9.932 10.144 -9.698 1.00 0.23 C ATOM 1427 C GLU A 110 -8.514 10.684 -9.469 1.00 0.22 C ATOM 1428 O GLU A 110 -7.625 9.967 -9.055 1.00 0.24 O ATOM 1429 CB GLU A 110 -10.342 10.399 -11.149 1.00 0.30 C ATOM 1430 CG GLU A 110 -9.644 9.394 -12.066 1.00 0.32 C ATOM 1431 CD GLU A 110 -9.075 10.125 -13.283 1.00 1.52 C ATOM 1432 OE1 GLU A 110 -8.025 10.732 -13.147 1.00 2.87 O ATOM 1433 OE2 GLU A 110 -9.698 10.068 -14.330 1.00 1.71 O ATOM 0 H GLU A 110 -11.742 11.166 -9.253 1.00 0.20 H new ATOM 0 HA GLU A 110 -9.934 9.075 -9.487 1.00 0.23 H new ATOM 0 HB2 GLU A 110 -11.423 10.310 -11.252 1.00 0.30 H new ATOM 0 HB3 GLU A 110 -10.077 11.416 -11.439 1.00 0.30 H new ATOM 0 HG2 GLU A 110 -8.844 8.887 -11.526 1.00 0.32 H new ATOM 0 HG3 GLU A 110 -10.349 8.627 -12.386 1.00 0.32 H new ATOM 1440 N GLU A 111 -8.296 11.939 -9.749 1.00 0.45 N ATOM 1441 CA GLU A 111 -6.935 12.525 -9.568 1.00 0.49 C ATOM 1442 C GLU A 111 -6.435 12.275 -8.143 1.00 0.19 C ATOM 1443 O GLU A 111 -5.250 12.134 -7.909 1.00 0.23 O ATOM 1444 CB GLU A 111 -6.994 14.030 -9.827 1.00 0.75 C ATOM 1445 CG GLU A 111 -5.592 14.551 -10.147 1.00 1.61 C ATOM 1446 CD GLU A 111 -5.057 15.346 -8.953 1.00 2.70 C ATOM 1447 OE1 GLU A 111 -5.576 15.163 -7.864 1.00 3.15 O ATOM 1448 OE2 GLU A 111 -4.138 16.124 -9.149 1.00 3.40 O ATOM 0 H GLU A 111 -9.003 12.587 -10.096 1.00 0.45 H new ATOM 0 HA GLU A 111 -6.249 12.053 -10.272 1.00 0.49 H new ATOM 0 HB2 GLU A 111 -7.669 14.240 -10.657 1.00 0.75 H new ATOM 0 HB3 GLU A 111 -7.393 14.544 -8.953 1.00 0.75 H new ATOM 0 HG2 GLU A 111 -4.925 13.718 -10.371 1.00 1.61 H new ATOM 0 HG3 GLU A 111 -5.621 15.183 -11.034 1.00 1.61 H new ATOM 1455 N GLN A 112 -7.321 12.229 -7.188 1.00 0.22 N ATOM 1456 CA GLN A 112 -6.887 12.001 -5.780 1.00 0.28 C ATOM 1457 C GLN A 112 -6.264 10.607 -5.644 1.00 0.24 C ATOM 1458 O GLN A 112 -5.289 10.421 -4.944 1.00 0.52 O ATOM 1459 CB GLN A 112 -8.097 12.118 -4.851 1.00 0.54 C ATOM 1460 CG GLN A 112 -8.474 13.594 -4.698 1.00 0.50 C ATOM 1461 CD GLN A 112 -7.877 14.142 -3.401 1.00 0.34 C ATOM 1462 OE1 GLN A 112 -8.484 14.961 -2.738 1.00 1.54 O ATOM 1463 NE2 GLN A 112 -6.706 13.724 -3.008 1.00 1.08 N ATOM 0 H GLN A 112 -8.326 12.339 -7.320 1.00 0.22 H new ATOM 0 HA GLN A 112 -6.143 12.750 -5.506 1.00 0.28 H new ATOM 0 HB2 GLN A 112 -8.938 11.556 -5.257 1.00 0.54 H new ATOM 0 HB3 GLN A 112 -7.866 11.687 -3.877 1.00 0.54 H new ATOM 0 HG2 GLN A 112 -8.105 14.165 -5.550 1.00 0.50 H new ATOM 0 HG3 GLN A 112 -9.558 13.704 -4.686 1.00 0.50 H new ATOM 0 HE21 GLN A 112 -6.197 13.037 -3.564 1.00 1.08 H new ATOM 0 HE22 GLN A 112 -6.299 14.084 -2.145 1.00 1.08 H new ATOM 1472 N ALA A 113 -6.813 9.627 -6.309 1.00 0.13 N ATOM 1473 CA ALA A 113 -6.244 8.252 -6.216 1.00 0.39 C ATOM 1474 C ALA A 113 -4.916 8.202 -6.978 1.00 0.46 C ATOM 1475 O ALA A 113 -4.006 7.479 -6.622 1.00 0.58 O ATOM 1476 CB ALA A 113 -7.227 7.254 -6.826 1.00 0.54 C ATOM 0 H ALA A 113 -7.630 9.719 -6.912 1.00 0.13 H new ATOM 0 HA ALA A 113 -6.072 7.994 -5.171 1.00 0.39 H new ATOM 0 HB1 ALA A 113 -6.813 6.248 -6.759 1.00 0.54 H new ATOM 0 HB2 ALA A 113 -8.171 7.295 -6.283 1.00 0.54 H new ATOM 0 HB3 ALA A 113 -7.399 7.506 -7.872 1.00 0.54 H new ATOM 1482 N ARG A 114 -4.797 8.969 -8.025 1.00 0.41 N ATOM 1483 CA ARG A 114 -3.529 8.966 -8.805 1.00 0.48 C ATOM 1484 C ARG A 114 -2.397 9.554 -7.956 1.00 0.52 C ATOM 1485 O ARG A 114 -1.234 9.393 -8.267 1.00 0.51 O ATOM 1486 CB ARG A 114 -3.703 9.807 -10.071 1.00 0.53 C ATOM 1487 CG ARG A 114 -2.618 9.435 -11.082 1.00 0.96 C ATOM 1488 CD ARG A 114 -3.052 9.878 -12.481 1.00 1.03 C ATOM 1489 NE ARG A 114 -1.848 10.053 -13.342 1.00 1.71 N ATOM 1490 CZ ARG A 114 -1.989 10.306 -14.615 1.00 1.75 C ATOM 1491 NH1 ARG A 114 -2.077 9.325 -15.472 1.00 2.15 N ATOM 1492 NH2 ARG A 114 -2.043 11.542 -15.031 1.00 2.59 N ATOM 0 H ARG A 114 -5.521 9.597 -8.374 1.00 0.41 H new ATOM 0 HA ARG A 114 -3.281 7.941 -9.079 1.00 0.48 H new ATOM 0 HB2 ARG A 114 -4.690 9.636 -10.501 1.00 0.53 H new ATOM 0 HB3 ARG A 114 -3.640 10.868 -9.828 1.00 0.53 H new ATOM 0 HG2 ARG A 114 -1.676 9.913 -10.813 1.00 0.96 H new ATOM 0 HG3 ARG A 114 -2.445 8.359 -11.067 1.00 0.96 H new ATOM 0 HD2 ARG A 114 -3.720 9.136 -12.918 1.00 1.03 H new ATOM 0 HD3 ARG A 114 -3.609 10.813 -12.422 1.00 1.03 H new ATOM 0 HE ARG A 114 -0.915 9.975 -12.937 1.00 1.71 H new ATOM 0 HH11 ARG A 114 -2.036 8.359 -15.147 1.00 2.15 H new ATOM 0 HH12 ARG A 114 -2.187 9.525 -16.466 1.00 2.15 H new ATOM 0 HH21 ARG A 114 -1.975 12.309 -14.362 1.00 2.59 H new ATOM 0 HH22 ARG A 114 -2.153 11.741 -16.025 1.00 2.59 H new ATOM 1506 N ALA A 115 -2.721 10.237 -6.890 1.00 0.63 N ATOM 1507 CA ALA A 115 -1.652 10.830 -6.035 1.00 0.70 C ATOM 1508 C ALA A 115 -1.077 9.756 -5.106 1.00 0.69 C ATOM 1509 O ALA A 115 0.097 9.763 -4.793 1.00 0.71 O ATOM 1510 CB ALA A 115 -2.233 11.974 -5.201 1.00 0.73 C ATOM 0 H ALA A 115 -3.676 10.409 -6.575 1.00 0.63 H new ATOM 0 HA ALA A 115 -0.857 11.217 -6.673 1.00 0.70 H new ATOM 0 HB1 ALA A 115 -1.449 12.405 -4.578 1.00 0.73 H new ATOM 0 HB2 ALA A 115 -2.632 12.742 -5.864 1.00 0.73 H new ATOM 0 HB3 ALA A 115 -3.032 11.592 -4.566 1.00 0.73 H new ATOM 1516 N VAL A 116 -1.887 8.832 -4.660 1.00 0.65 N ATOM 1517 CA VAL A 116 -1.366 7.770 -3.754 1.00 0.64 C ATOM 1518 C VAL A 116 -0.606 6.723 -4.577 1.00 0.61 C ATOM 1519 O VAL A 116 0.334 6.114 -4.107 1.00 0.69 O ATOM 1520 CB VAL A 116 -2.526 7.104 -3.000 1.00 0.61 C ATOM 1521 CG1 VAL A 116 -3.450 6.381 -3.981 1.00 0.29 C ATOM 1522 CG2 VAL A 116 -1.964 6.093 -1.999 1.00 1.12 C ATOM 0 H VAL A 116 -2.880 8.768 -4.883 1.00 0.65 H new ATOM 0 HA VAL A 116 -0.689 8.219 -3.027 1.00 0.64 H new ATOM 0 HB VAL A 116 -3.095 7.872 -2.476 1.00 0.61 H new ATOM 0 HG11 VAL A 116 -4.268 5.913 -3.433 1.00 0.29 H new ATOM 0 HG12 VAL A 116 -3.855 7.098 -4.695 1.00 0.29 H new ATOM 0 HG13 VAL A 116 -2.887 5.616 -4.515 1.00 0.29 H new ATOM 0 HG21 VAL A 116 -2.785 5.618 -1.462 1.00 1.12 H new ATOM 0 HG22 VAL A 116 -1.391 5.334 -2.531 1.00 1.12 H new ATOM 0 HG23 VAL A 116 -1.315 6.606 -1.290 1.00 1.12 H new ATOM 1532 N GLN A 117 -1.003 6.516 -5.805 1.00 0.53 N ATOM 1533 CA GLN A 117 -0.307 5.520 -6.664 1.00 0.55 C ATOM 1534 C GLN A 117 0.849 6.205 -7.402 1.00 0.43 C ATOM 1535 O GLN A 117 1.779 5.563 -7.845 1.00 0.35 O ATOM 1536 CB GLN A 117 -1.304 4.949 -7.681 1.00 0.61 C ATOM 1537 CG GLN A 117 -0.571 4.040 -8.670 1.00 0.76 C ATOM 1538 CD GLN A 117 -1.576 3.395 -9.628 1.00 0.95 C ATOM 1539 OE1 GLN A 117 -2.770 3.551 -9.470 1.00 1.77 O ATOM 1540 NE2 GLN A 117 -1.139 2.671 -10.623 1.00 1.16 N ATOM 0 H GLN A 117 -1.784 6.998 -6.250 1.00 0.53 H new ATOM 0 HA GLN A 117 0.088 4.712 -6.048 1.00 0.55 H new ATOM 0 HB2 GLN A 117 -2.083 4.387 -7.165 1.00 0.61 H new ATOM 0 HB3 GLN A 117 -1.797 5.761 -8.216 1.00 0.61 H new ATOM 0 HG2 GLN A 117 0.162 4.617 -9.233 1.00 0.76 H new ATOM 0 HG3 GLN A 117 -0.023 3.268 -8.130 1.00 0.76 H new ATOM 0 HE21 GLN A 117 -0.136 2.540 -10.756 1.00 1.16 H new ATOM 0 HE22 GLN A 117 -1.800 2.237 -11.267 1.00 1.16 H new ATOM 1549 N MET A 118 0.797 7.501 -7.541 1.00 0.89 N ATOM 1550 CA MET A 118 1.893 8.218 -8.250 1.00 0.92 C ATOM 1551 C MET A 118 3.174 8.133 -7.420 1.00 0.72 C ATOM 1552 O MET A 118 4.211 7.722 -7.899 1.00 0.53 O ATOM 1553 CB MET A 118 1.505 9.685 -8.442 1.00 1.27 C ATOM 1554 CG MET A 118 0.882 9.871 -9.827 1.00 1.30 C ATOM 1555 SD MET A 118 2.194 9.991 -11.068 1.00 1.57 S ATOM 1556 CE MET A 118 1.738 8.526 -12.027 1.00 1.89 C ATOM 0 H MET A 118 0.043 8.094 -7.194 1.00 0.89 H new ATOM 0 HA MET A 118 2.058 7.758 -9.224 1.00 0.92 H new ATOM 0 HB2 MET A 118 0.798 9.989 -7.670 1.00 1.27 H new ATOM 0 HB3 MET A 118 2.384 10.321 -8.338 1.00 1.27 H new ATOM 0 HG2 MET A 118 0.225 9.033 -10.057 1.00 1.30 H new ATOM 0 HG3 MET A 118 0.268 10.771 -9.843 1.00 1.30 H new ATOM 0 HE1 MET A 118 2.203 8.576 -13.012 1.00 1.89 H new ATOM 0 HE2 MET A 118 2.081 7.631 -11.509 1.00 1.89 H new ATOM 0 HE3 MET A 118 0.654 8.487 -12.139 1.00 1.89 H new ATOM 1566 N SER A 119 3.107 8.515 -6.174 1.00 0.82 N ATOM 1567 CA SER A 119 4.317 8.453 -5.309 1.00 0.76 C ATOM 1568 C SER A 119 4.577 7.000 -4.911 1.00 0.60 C ATOM 1569 O SER A 119 5.704 6.588 -4.719 1.00 0.67 O ATOM 1570 CB SER A 119 4.092 9.295 -4.053 1.00 1.05 C ATOM 1571 OG SER A 119 5.000 10.388 -4.052 1.00 1.57 O ATOM 0 H SER A 119 2.265 8.868 -5.718 1.00 0.82 H new ATOM 0 HA SER A 119 5.177 8.843 -5.854 1.00 0.76 H new ATOM 0 HB2 SER A 119 3.065 9.660 -4.025 1.00 1.05 H new ATOM 0 HB3 SER A 119 4.238 8.685 -3.161 1.00 1.05 H new ATOM 0 HG SER A 119 5.213 10.635 -3.128 1.00 1.57 H new ATOM 1577 N THR A 120 3.538 6.217 -4.787 1.00 0.43 N ATOM 1578 CA THR A 120 3.724 4.790 -4.404 1.00 0.32 C ATOM 1579 C THR A 120 4.460 4.066 -5.540 1.00 0.29 C ATOM 1580 O THR A 120 5.187 3.119 -5.317 1.00 0.29 O ATOM 1581 CB THR A 120 2.343 4.158 -4.129 1.00 0.41 C ATOM 1582 OG1 THR A 120 1.919 4.527 -2.826 1.00 2.03 O ATOM 1583 CG2 THR A 120 2.402 2.629 -4.220 1.00 1.35 C ATOM 0 H THR A 120 2.571 6.505 -4.934 1.00 0.43 H new ATOM 0 HA THR A 120 4.322 4.705 -3.497 1.00 0.32 H new ATOM 0 HB THR A 120 1.642 4.520 -4.881 1.00 0.41 H new ATOM 0 HG1 THR A 120 1.074 5.020 -2.884 1.00 2.03 H new ATOM 0 HG21 THR A 120 1.414 2.214 -4.021 1.00 1.35 H new ATOM 0 HG22 THR A 120 2.724 2.336 -5.219 1.00 1.35 H new ATOM 0 HG23 THR A 120 3.110 2.248 -3.484 1.00 1.35 H new ATOM 1591 N LYS A 121 4.298 4.525 -6.749 1.00 0.28 N ATOM 1592 CA LYS A 121 5.012 3.887 -7.888 1.00 0.29 C ATOM 1593 C LYS A 121 6.390 4.538 -7.999 1.00 0.19 C ATOM 1594 O LYS A 121 7.358 3.926 -8.408 1.00 0.16 O ATOM 1595 CB LYS A 121 4.226 4.120 -9.181 1.00 0.36 C ATOM 1596 CG LYS A 121 2.913 3.339 -9.128 1.00 1.40 C ATOM 1597 CD LYS A 121 2.981 2.161 -10.103 1.00 1.43 C ATOM 1598 CE LYS A 121 2.569 2.630 -11.500 1.00 1.52 C ATOM 1599 NZ LYS A 121 3.784 2.841 -12.339 1.00 0.68 N ATOM 0 H LYS A 121 3.702 5.315 -6.997 1.00 0.28 H new ATOM 0 HA LYS A 121 5.109 2.813 -7.726 1.00 0.29 H new ATOM 0 HB2 LYS A 121 4.024 5.183 -9.310 1.00 0.36 H new ATOM 0 HB3 LYS A 121 4.816 3.802 -10.040 1.00 0.36 H new ATOM 0 HG2 LYS A 121 2.733 2.977 -8.116 1.00 1.40 H new ATOM 0 HG3 LYS A 121 2.079 3.991 -9.386 1.00 1.40 H new ATOM 0 HD2 LYS A 121 3.992 1.754 -10.128 1.00 1.43 H new ATOM 0 HD3 LYS A 121 2.323 1.359 -9.768 1.00 1.43 H new ATOM 0 HE2 LYS A 121 1.918 1.890 -11.965 1.00 1.52 H new ATOM 0 HE3 LYS A 121 1.999 3.556 -11.430 1.00 1.52 H new ATOM 0 HZ1 LYS A 121 3.519 2.824 -13.344 1.00 0.68 H new ATOM 0 HZ2 LYS A 121 4.210 3.761 -12.108 1.00 0.68 H new ATOM 0 HZ3 LYS A 121 4.472 2.084 -12.150 1.00 0.68 H new ATOM 1613 N VAL A 122 6.476 5.781 -7.613 1.00 0.14 N ATOM 1614 CA VAL A 122 7.771 6.507 -7.663 1.00 0.12 C ATOM 1615 C VAL A 122 8.733 5.886 -6.654 1.00 0.11 C ATOM 1616 O VAL A 122 9.931 6.028 -6.764 1.00 0.22 O ATOM 1617 CB VAL A 122 7.524 7.972 -7.306 1.00 0.13 C ATOM 1618 CG1 VAL A 122 8.856 8.718 -7.186 1.00 0.15 C ATOM 1619 CG2 VAL A 122 6.684 8.618 -8.407 1.00 0.16 C ATOM 0 H VAL A 122 5.692 6.330 -7.261 1.00 0.14 H new ATOM 0 HA VAL A 122 8.204 6.439 -8.661 1.00 0.12 H new ATOM 0 HB VAL A 122 6.999 8.025 -6.352 1.00 0.13 H new ATOM 0 HG11 VAL A 122 8.667 9.761 -6.931 1.00 0.15 H new ATOM 0 HG12 VAL A 122 9.462 8.258 -6.405 1.00 0.15 H new ATOM 0 HG13 VAL A 122 9.388 8.667 -8.136 1.00 0.15 H new ATOM 0 HG21 VAL A 122 6.503 9.664 -8.160 1.00 0.16 H new ATOM 0 HG22 VAL A 122 7.218 8.556 -9.355 1.00 0.16 H new ATOM 0 HG23 VAL A 122 5.731 8.095 -8.492 1.00 0.16 H new ATOM 1629 N LEU A 123 8.220 5.202 -5.669 1.00 0.11 N ATOM 1630 CA LEU A 123 9.112 4.574 -4.657 1.00 0.22 C ATOM 1631 C LEU A 123 9.419 3.138 -5.072 1.00 0.09 C ATOM 1632 O LEU A 123 10.384 2.547 -4.632 1.00 0.12 O ATOM 1633 CB LEU A 123 8.421 4.587 -3.301 1.00 0.39 C ATOM 1634 CG LEU A 123 8.371 6.024 -2.800 1.00 0.60 C ATOM 1635 CD1 LEU A 123 7.574 6.077 -1.504 1.00 1.61 C ATOM 1636 CD2 LEU A 123 9.798 6.522 -2.554 1.00 2.26 C ATOM 0 H LEU A 123 7.222 5.051 -5.522 1.00 0.11 H new ATOM 0 HA LEU A 123 10.045 5.133 -4.590 1.00 0.22 H new ATOM 0 HB2 LEU A 123 7.414 4.180 -3.385 1.00 0.39 H new ATOM 0 HB3 LEU A 123 8.961 3.958 -2.594 1.00 0.39 H new ATOM 0 HG LEU A 123 7.891 6.660 -3.544 1.00 0.60 H new ATOM 0 HD11 LEU A 123 7.536 7.104 -1.142 1.00 1.61 H new ATOM 0 HD12 LEU A 123 6.561 5.718 -1.685 1.00 1.61 H new ATOM 0 HD13 LEU A 123 8.054 5.446 -0.756 1.00 1.61 H new ATOM 0 HD21 LEU A 123 9.768 7.551 -2.195 1.00 2.26 H new ATOM 0 HD22 LEU A 123 10.280 5.891 -1.807 1.00 2.26 H new ATOM 0 HD23 LEU A 123 10.364 6.479 -3.485 1.00 2.26 H new ATOM 1648 N ILE A 124 8.619 2.580 -5.933 1.00 0.11 N ATOM 1649 CA ILE A 124 8.885 1.197 -6.400 1.00 0.08 C ATOM 1650 C ILE A 124 10.067 1.266 -7.364 1.00 0.12 C ATOM 1651 O ILE A 124 10.896 0.378 -7.424 1.00 0.26 O ATOM 1652 CB ILE A 124 7.643 0.650 -7.117 1.00 0.09 C ATOM 1653 CG1 ILE A 124 6.534 0.408 -6.092 1.00 0.37 C ATOM 1654 CG2 ILE A 124 7.977 -0.672 -7.814 1.00 0.34 C ATOM 1655 CD1 ILE A 124 5.232 0.074 -6.819 1.00 0.66 C ATOM 0 H ILE A 124 7.792 3.023 -6.333 1.00 0.11 H new ATOM 0 HA ILE A 124 9.113 0.535 -5.565 1.00 0.08 H new ATOM 0 HB ILE A 124 7.313 1.375 -7.861 1.00 0.09 H new ATOM 0 HG12 ILE A 124 6.811 -0.409 -5.427 1.00 0.37 H new ATOM 0 HG13 ILE A 124 6.399 1.293 -5.470 1.00 0.37 H new ATOM 0 HG21 ILE A 124 7.089 -1.051 -8.319 1.00 0.34 H new ATOM 0 HG22 ILE A 124 8.769 -0.508 -8.545 1.00 0.34 H new ATOM 0 HG23 ILE A 124 8.312 -1.399 -7.074 1.00 0.34 H new ATOM 0 HD11 ILE A 124 4.441 -0.099 -6.089 1.00 0.66 H new ATOM 0 HD12 ILE A 124 4.953 0.906 -7.466 1.00 0.66 H new ATOM 0 HD13 ILE A 124 5.372 -0.824 -7.421 1.00 0.66 H new ATOM 1667 N GLN A 125 10.153 2.334 -8.106 1.00 0.02 N ATOM 1668 CA GLN A 125 11.275 2.493 -9.057 1.00 0.02 C ATOM 1669 C GLN A 125 12.432 3.201 -8.349 1.00 0.09 C ATOM 1670 O GLN A 125 13.586 2.873 -8.549 1.00 0.13 O ATOM 1671 CB GLN A 125 10.802 3.331 -10.239 1.00 0.12 C ATOM 1672 CG GLN A 125 10.456 2.407 -11.407 1.00 0.21 C ATOM 1673 CD GLN A 125 11.240 2.836 -12.648 1.00 0.76 C ATOM 1674 OE1 GLN A 125 12.129 2.136 -13.092 1.00 2.40 O ATOM 1675 NE2 GLN A 125 10.947 3.965 -13.233 1.00 0.88 N ATOM 0 H GLN A 125 9.487 3.106 -8.091 1.00 0.02 H new ATOM 0 HA GLN A 125 11.611 1.519 -9.412 1.00 0.02 H new ATOM 0 HB2 GLN A 125 9.930 3.920 -9.956 1.00 0.12 H new ATOM 0 HB3 GLN A 125 11.580 4.035 -10.535 1.00 0.12 H new ATOM 0 HG2 GLN A 125 10.696 1.375 -11.151 1.00 0.21 H new ATOM 0 HG3 GLN A 125 9.386 2.445 -11.609 1.00 0.21 H new ATOM 0 HE21 GLN A 125 10.201 4.553 -12.862 1.00 0.88 H new ATOM 0 HE22 GLN A 125 11.464 4.259 -14.062 1.00 0.88 H new ATOM 1684 N PHE A 126 12.136 4.160 -7.509 1.00 0.13 N ATOM 1685 CA PHE A 126 13.231 4.863 -6.787 1.00 0.20 C ATOM 1686 C PHE A 126 13.929 3.861 -5.875 1.00 0.22 C ATOM 1687 O PHE A 126 15.107 3.956 -5.617 1.00 0.27 O ATOM 1688 CB PHE A 126 12.658 6.007 -5.944 1.00 0.25 C ATOM 1689 CG PHE A 126 12.513 7.245 -6.796 1.00 0.31 C ATOM 1690 CD1 PHE A 126 11.967 7.153 -8.081 1.00 0.29 C ATOM 1691 CD2 PHE A 126 12.931 8.485 -6.300 1.00 0.43 C ATOM 1692 CE1 PHE A 126 11.838 8.301 -8.871 1.00 0.39 C ATOM 1693 CE2 PHE A 126 12.804 9.634 -7.090 1.00 0.50 C ATOM 1694 CZ PHE A 126 12.257 9.542 -8.376 1.00 0.49 C ATOM 0 H PHE A 126 11.192 4.482 -7.295 1.00 0.13 H new ATOM 0 HA PHE A 126 13.937 5.278 -7.506 1.00 0.20 H new ATOM 0 HB2 PHE A 126 11.689 5.720 -5.535 1.00 0.25 H new ATOM 0 HB3 PHE A 126 13.314 6.211 -5.098 1.00 0.25 H new ATOM 0 HD1 PHE A 126 11.645 6.196 -8.463 1.00 0.29 H new ATOM 0 HD2 PHE A 126 13.352 8.556 -5.308 1.00 0.43 H new ATOM 0 HE1 PHE A 126 11.415 8.230 -9.862 1.00 0.39 H new ATOM 0 HE2 PHE A 126 13.128 10.591 -6.708 1.00 0.50 H new ATOM 0 HZ PHE A 126 12.158 10.428 -8.986 1.00 0.49 H new ATOM 1704 N LEU A 127 13.205 2.891 -5.396 1.00 0.20 N ATOM 1705 CA LEU A 127 13.819 1.869 -4.508 1.00 0.20 C ATOM 1706 C LEU A 127 14.442 0.776 -5.373 1.00 0.22 C ATOM 1707 O LEU A 127 15.440 0.187 -5.024 1.00 0.21 O ATOM 1708 CB LEU A 127 12.744 1.250 -3.611 1.00 0.25 C ATOM 1709 CG LEU A 127 12.327 2.256 -2.537 1.00 0.91 C ATOM 1710 CD1 LEU A 127 11.029 1.785 -1.875 1.00 1.46 C ATOM 1711 CD2 LEU A 127 13.428 2.359 -1.479 1.00 0.67 C ATOM 0 H LEU A 127 12.211 2.762 -5.582 1.00 0.20 H new ATOM 0 HA LEU A 127 14.582 2.336 -3.885 1.00 0.20 H new ATOM 0 HB2 LEU A 127 11.879 0.962 -4.209 1.00 0.25 H new ATOM 0 HB3 LEU A 127 13.125 0.342 -3.144 1.00 0.25 H new ATOM 0 HG LEU A 127 12.170 3.232 -2.995 1.00 0.91 H new ATOM 0 HD11 LEU A 127 10.731 2.501 -1.109 1.00 1.46 H new ATOM 0 HD12 LEU A 127 10.244 1.709 -2.627 1.00 1.46 H new ATOM 0 HD13 LEU A 127 11.188 0.809 -1.417 1.00 1.46 H new ATOM 0 HD21 LEU A 127 13.131 3.076 -0.713 1.00 0.67 H new ATOM 0 HD22 LEU A 127 13.585 1.383 -1.021 1.00 0.67 H new ATOM 0 HD23 LEU A 127 14.354 2.692 -1.948 1.00 0.67 H new ATOM 1723 N GLN A 128 13.854 0.502 -6.504 1.00 0.35 N ATOM 1724 CA GLN A 128 14.407 -0.552 -7.396 1.00 0.38 C ATOM 1725 C GLN A 128 15.888 -0.272 -7.683 1.00 0.12 C ATOM 1726 O GLN A 128 16.729 -1.139 -7.552 1.00 0.36 O ATOM 1727 CB GLN A 128 13.632 -0.552 -8.714 1.00 0.63 C ATOM 1728 CG GLN A 128 13.309 -1.990 -9.118 1.00 0.79 C ATOM 1729 CD GLN A 128 12.676 -1.993 -10.509 1.00 1.21 C ATOM 1730 OE1 GLN A 128 11.658 -2.621 -10.725 1.00 1.29 O ATOM 1731 NE2 GLN A 128 13.237 -1.310 -11.469 1.00 2.57 N ATOM 0 H GLN A 128 13.013 0.964 -6.849 1.00 0.35 H new ATOM 0 HA GLN A 128 14.313 -1.522 -6.907 1.00 0.38 H new ATOM 0 HB2 GLN A 128 12.712 0.022 -8.606 1.00 0.63 H new ATOM 0 HB3 GLN A 128 14.220 -0.068 -9.494 1.00 0.63 H new ATOM 0 HG2 GLN A 128 14.217 -2.593 -9.118 1.00 0.79 H new ATOM 0 HG3 GLN A 128 12.628 -2.439 -8.395 1.00 0.79 H new ATOM 0 HE21 GLN A 128 14.091 -0.783 -11.288 1.00 2.57 H new ATOM 0 HE22 GLN A 128 12.821 -1.303 -12.400 1.00 2.57 H new ATOM 1740 N LYS A 129 16.212 0.929 -8.089 1.00 0.15 N ATOM 1741 CA LYS A 129 17.636 1.255 -8.404 1.00 0.43 C ATOM 1742 C LYS A 129 18.357 1.787 -7.158 1.00 0.33 C ATOM 1743 O LYS A 129 19.491 1.440 -6.897 1.00 0.58 O ATOM 1744 CB LYS A 129 17.676 2.311 -9.510 1.00 0.75 C ATOM 1745 CG LYS A 129 16.780 1.861 -10.667 1.00 0.91 C ATOM 1746 CD LYS A 129 16.914 2.841 -11.834 1.00 1.63 C ATOM 1747 CE LYS A 129 16.718 2.091 -13.154 1.00 2.42 C ATOM 1748 NZ LYS A 129 17.583 2.691 -14.211 1.00 3.16 N ATOM 0 H LYS A 129 15.553 1.697 -8.216 1.00 0.15 H new ATOM 0 HA LYS A 129 18.142 0.348 -8.736 1.00 0.43 H new ATOM 0 HB2 LYS A 129 17.337 3.272 -9.124 1.00 0.75 H new ATOM 0 HB3 LYS A 129 18.699 2.451 -9.859 1.00 0.75 H new ATOM 0 HG2 LYS A 129 17.060 0.858 -10.988 1.00 0.91 H new ATOM 0 HG3 LYS A 129 15.742 1.812 -10.338 1.00 0.91 H new ATOM 0 HD2 LYS A 129 16.174 3.636 -11.742 1.00 1.63 H new ATOM 0 HD3 LYS A 129 17.896 3.315 -11.815 1.00 1.63 H new ATOM 0 HE2 LYS A 129 16.965 1.037 -13.024 1.00 2.42 H new ATOM 0 HE3 LYS A 129 15.672 2.138 -13.457 1.00 2.42 H new ATOM 0 HZ1 LYS A 129 17.446 2.178 -15.105 1.00 3.16 H new ATOM 0 HZ2 LYS A 129 17.327 3.690 -14.343 1.00 3.16 H new ATOM 0 HZ3 LYS A 129 18.580 2.624 -13.923 1.00 3.16 H new ATOM 1762 N LYS A 130 17.716 2.624 -6.389 1.00 0.15 N ATOM 1763 CA LYS A 130 18.381 3.173 -5.166 1.00 0.37 C ATOM 1764 C LYS A 130 18.613 2.063 -4.141 1.00 0.31 C ATOM 1765 O LYS A 130 19.304 2.254 -3.160 1.00 0.31 O ATOM 1766 CB LYS A 130 17.495 4.263 -4.553 1.00 0.55 C ATOM 1767 CG LYS A 130 18.317 5.146 -3.616 1.00 1.03 C ATOM 1768 CD LYS A 130 17.973 4.808 -2.163 1.00 0.66 C ATOM 1769 CE LYS A 130 19.247 4.419 -1.412 1.00 1.59 C ATOM 1770 NZ LYS A 130 18.966 3.248 -0.536 1.00 1.06 N ATOM 0 H LYS A 130 16.764 2.952 -6.551 1.00 0.15 H new ATOM 0 HA LYS A 130 19.346 3.596 -5.447 1.00 0.37 H new ATOM 0 HB2 LYS A 130 17.054 4.871 -5.343 1.00 0.55 H new ATOM 0 HB3 LYS A 130 16.671 3.806 -4.005 1.00 0.55 H new ATOM 0 HG2 LYS A 130 19.381 4.992 -3.794 1.00 1.03 H new ATOM 0 HG3 LYS A 130 18.110 6.197 -3.815 1.00 1.03 H new ATOM 0 HD2 LYS A 130 17.502 5.665 -1.681 1.00 0.66 H new ATOM 0 HD3 LYS A 130 17.255 3.989 -2.130 1.00 0.66 H new ATOM 0 HE2 LYS A 130 20.040 4.176 -2.120 1.00 1.59 H new ATOM 0 HE3 LYS A 130 19.600 5.259 -0.813 1.00 1.59 H new ATOM 0 HZ1 LYS A 130 19.744 3.128 0.143 1.00 1.06 H new ATOM 0 HZ2 LYS A 130 18.077 3.406 -0.020 1.00 1.06 H new ATOM 0 HZ3 LYS A 130 18.880 2.391 -1.119 1.00 1.06 H new ATOM 1784 N ALA A 131 18.064 0.904 -4.359 1.00 0.51 N ATOM 1785 CA ALA A 131 18.281 -0.205 -3.395 1.00 0.43 C ATOM 1786 C ALA A 131 19.481 -1.029 -3.856 1.00 0.42 C ATOM 1787 O ALA A 131 19.430 -2.243 -3.881 1.00 0.71 O ATOM 1788 CB ALA A 131 17.038 -1.095 -3.337 1.00 0.98 C ATOM 0 H ALA A 131 17.476 0.677 -5.161 1.00 0.51 H new ATOM 0 HA ALA A 131 18.469 0.203 -2.402 1.00 0.43 H new ATOM 0 HB1 ALA A 131 17.204 -1.906 -2.628 1.00 0.98 H new ATOM 0 HB2 ALA A 131 16.181 -0.503 -3.016 1.00 0.98 H new ATOM 0 HB3 ALA A 131 16.842 -1.511 -4.325 1.00 0.98 H new ATOM 1794 N LYS A 132 20.562 -0.373 -4.230 1.00 0.56 N ATOM 1795 CA LYS A 132 21.783 -1.115 -4.699 1.00 1.14 C ATOM 1796 C LYS A 132 22.044 -2.319 -3.784 1.00 1.32 C ATOM 1797 O LYS A 132 21.701 -2.305 -2.619 1.00 1.21 O ATOM 1798 CB LYS A 132 22.995 -0.182 -4.668 1.00 1.37 C ATOM 1799 CG LYS A 132 23.138 0.426 -3.271 1.00 1.26 C ATOM 1800 CD LYS A 132 24.146 -0.393 -2.461 1.00 2.36 C ATOM 1801 CE LYS A 132 23.726 -0.412 -0.990 1.00 2.37 C ATOM 1802 NZ LYS A 132 24.863 0.049 -0.145 1.00 2.86 N ATOM 0 H LYS A 132 20.650 0.643 -4.230 1.00 0.56 H new ATOM 0 HA LYS A 132 21.618 -1.465 -5.718 1.00 1.14 H new ATOM 0 HB2 LYS A 132 23.898 -0.733 -4.930 1.00 1.37 H new ATOM 0 HB3 LYS A 132 22.878 0.608 -5.409 1.00 1.37 H new ATOM 0 HG2 LYS A 132 23.470 1.462 -3.345 1.00 1.26 H new ATOM 0 HG3 LYS A 132 22.172 0.436 -2.766 1.00 1.26 H new ATOM 0 HD2 LYS A 132 24.198 -1.411 -2.848 1.00 2.36 H new ATOM 0 HD3 LYS A 132 25.143 0.037 -2.560 1.00 2.36 H new ATOM 0 HE2 LYS A 132 22.861 0.234 -0.839 1.00 2.37 H new ATOM 0 HE3 LYS A 132 23.427 -1.419 -0.699 1.00 2.37 H new ATOM 0 HZ1 LYS A 132 24.579 0.037 0.855 1.00 2.86 H new ATOM 0 HZ2 LYS A 132 25.676 -0.584 -0.282 1.00 2.86 H new ATOM 0 HZ3 LYS A 132 25.128 1.017 -0.418 1.00 2.86 H new ATOM 1816 N ASN A 133 22.616 -3.373 -4.305 1.00 1.62 N ATOM 1817 CA ASN A 133 22.850 -4.579 -3.457 1.00 1.80 C ATOM 1818 C ASN A 133 21.502 -5.010 -2.883 1.00 1.57 C ATOM 1819 O ASN A 133 21.380 -5.396 -1.737 1.00 1.53 O ATOM 1820 CB ASN A 133 23.820 -4.241 -2.323 1.00 1.92 C ATOM 1821 CG ASN A 133 24.706 -5.454 -2.028 1.00 2.44 C ATOM 1822 OD1 ASN A 133 24.513 -6.137 -1.041 1.00 2.47 O ATOM 1823 ND2 ASN A 133 25.677 -5.751 -2.847 1.00 3.36 N ATOM 0 H ASN A 133 22.929 -3.451 -5.273 1.00 1.62 H new ATOM 0 HA ASN A 133 23.287 -5.384 -4.049 1.00 1.80 H new ATOM 0 HB2 ASN A 133 24.437 -3.386 -2.601 1.00 1.92 H new ATOM 0 HB3 ASN A 133 23.265 -3.957 -1.429 1.00 1.92 H new ATOM 0 HD21 ASN A 133 26.274 -6.556 -2.659 1.00 3.36 H new ATOM 0 HD22 ASN A 133 25.839 -5.178 -3.675 1.00 3.36 H new ATOM 1830 N LEU A 134 20.491 -4.913 -3.693 1.00 1.45 N ATOM 1831 CA LEU A 134 19.115 -5.272 -3.259 1.00 1.30 C ATOM 1832 C LEU A 134 18.168 -5.008 -4.427 1.00 1.73 C ATOM 1833 O LEU A 134 18.585 -4.950 -5.565 1.00 2.22 O ATOM 1834 CB LEU A 134 18.722 -4.396 -2.064 1.00 0.56 C ATOM 1835 CG LEU A 134 18.373 -5.280 -0.863 1.00 0.90 C ATOM 1836 CD1 LEU A 134 18.018 -4.397 0.334 1.00 0.84 C ATOM 1837 CD2 LEU A 134 17.177 -6.169 -1.210 1.00 1.91 C ATOM 0 H LEU A 134 20.561 -4.593 -4.659 1.00 1.45 H new ATOM 0 HA LEU A 134 19.063 -6.320 -2.964 1.00 1.30 H new ATOM 0 HB2 LEU A 134 19.543 -3.726 -1.807 1.00 0.56 H new ATOM 0 HB3 LEU A 134 17.869 -3.770 -2.326 1.00 0.56 H new ATOM 0 HG LEU A 134 19.230 -5.906 -0.614 1.00 0.90 H new ATOM 0 HD11 LEU A 134 17.770 -5.026 1.189 1.00 0.84 H new ATOM 0 HD12 LEU A 134 18.869 -3.764 0.584 1.00 0.84 H new ATOM 0 HD13 LEU A 134 17.162 -3.771 0.083 1.00 0.84 H new ATOM 0 HD21 LEU A 134 16.930 -6.797 -0.354 1.00 1.91 H new ATOM 0 HD22 LEU A 134 16.320 -5.544 -1.461 1.00 1.91 H new ATOM 0 HD23 LEU A 134 17.428 -6.800 -2.063 1.00 1.91 H new ATOM 1849 N ASP A 135 16.904 -4.850 -4.154 1.00 1.83 N ATOM 1850 CA ASP A 135 15.909 -4.583 -5.241 1.00 2.69 C ATOM 1851 C ASP A 135 15.568 -5.896 -5.955 1.00 1.66 C ATOM 1852 O ASP A 135 16.288 -6.871 -5.865 1.00 0.87 O ATOM 1853 CB ASP A 135 16.459 -3.512 -6.225 1.00 4.03 C ATOM 1854 CG ASP A 135 17.001 -4.134 -7.526 1.00 4.48 C ATOM 1855 OD1 ASP A 135 16.213 -4.711 -8.258 1.00 4.72 O ATOM 1856 OD2 ASP A 135 18.191 -4.017 -7.765 1.00 4.86 O ATOM 0 H ASP A 135 16.509 -4.894 -3.215 1.00 1.83 H new ATOM 0 HA ASP A 135 14.991 -4.184 -4.811 1.00 2.69 H new ATOM 0 HB2 ASP A 135 15.667 -2.803 -6.467 1.00 4.03 H new ATOM 0 HB3 ASP A 135 17.253 -2.948 -5.737 1.00 4.03 H new ATOM 1861 N ALA A 136 14.464 -5.932 -6.649 1.00 1.96 N ATOM 1862 CA ALA A 136 14.066 -7.182 -7.349 1.00 1.61 C ATOM 1863 C ALA A 136 13.731 -8.218 -6.293 1.00 1.18 C ATOM 1864 O ALA A 136 14.228 -9.327 -6.293 1.00 2.38 O ATOM 1865 CB ALA A 136 15.209 -7.676 -8.228 1.00 1.39 C ATOM 0 H ALA A 136 13.821 -5.148 -6.761 1.00 1.96 H new ATOM 0 HA ALA A 136 13.202 -7.002 -7.989 1.00 1.61 H new ATOM 0 HB1 ALA A 136 14.907 -8.592 -8.736 1.00 1.39 H new ATOM 0 HB2 ALA A 136 15.454 -6.914 -8.968 1.00 1.39 H new ATOM 0 HB3 ALA A 136 16.084 -7.876 -7.609 1.00 1.39 H new ATOM 1871 N ILE A 137 12.903 -7.822 -5.379 1.00 0.99 N ATOM 1872 CA ILE A 137 12.490 -8.697 -4.266 1.00 0.93 C ATOM 1873 C ILE A 137 11.301 -9.569 -4.730 1.00 1.44 C ATOM 1874 O ILE A 137 10.214 -9.511 -4.194 1.00 1.89 O ATOM 1875 CB ILE A 137 12.130 -7.736 -3.116 1.00 1.34 C ATOM 1876 CG1 ILE A 137 13.399 -7.368 -2.337 1.00 1.15 C ATOM 1877 CG2 ILE A 137 11.122 -8.345 -2.150 1.00 1.97 C ATOM 1878 CD1 ILE A 137 14.503 -6.897 -3.290 1.00 0.75 C ATOM 0 H ILE A 137 12.482 -6.893 -5.360 1.00 0.99 H new ATOM 0 HA ILE A 137 13.261 -9.393 -3.937 1.00 0.93 H new ATOM 0 HB ILE A 137 11.679 -6.850 -3.564 1.00 1.34 H new ATOM 0 HG12 ILE A 137 13.174 -6.582 -1.616 1.00 1.15 H new ATOM 0 HG13 ILE A 137 13.746 -8.231 -1.769 1.00 1.15 H new ATOM 0 HG21 ILE A 137 10.900 -7.630 -1.357 1.00 1.97 H new ATOM 0 HG22 ILE A 137 10.205 -8.588 -2.687 1.00 1.97 H new ATOM 0 HG23 ILE A 137 11.539 -9.253 -1.714 1.00 1.97 H new ATOM 0 HD11 ILE A 137 15.394 -6.641 -2.717 1.00 0.75 H new ATOM 0 HD12 ILE A 137 14.741 -7.695 -3.994 1.00 0.75 H new ATOM 0 HD13 ILE A 137 14.160 -6.020 -3.839 1.00 0.75 H new ATOM 1890 N THR A 138 11.510 -10.380 -5.734 1.00 1.63 N ATOM 1891 CA THR A 138 10.412 -11.254 -6.248 1.00 2.05 C ATOM 1892 C THR A 138 9.156 -10.417 -6.502 1.00 1.72 C ATOM 1893 O THR A 138 9.114 -9.236 -6.225 1.00 1.43 O ATOM 1894 CB THR A 138 10.091 -12.359 -5.231 1.00 2.40 C ATOM 1895 OG1 THR A 138 10.378 -11.905 -3.916 1.00 2.70 O ATOM 1896 CG2 THR A 138 10.933 -13.598 -5.539 1.00 3.08 C ATOM 0 H THR A 138 12.400 -10.475 -6.224 1.00 1.63 H new ATOM 0 HA THR A 138 10.740 -11.712 -7.181 1.00 2.05 H new ATOM 0 HB THR A 138 9.033 -12.611 -5.299 1.00 2.40 H new ATOM 0 HG1 THR A 138 9.823 -11.123 -3.711 1.00 2.70 H new ATOM 0 HG21 THR A 138 10.705 -14.382 -4.817 1.00 3.08 H new ATOM 0 HG22 THR A 138 10.704 -13.953 -6.544 1.00 3.08 H new ATOM 0 HG23 THR A 138 11.991 -13.344 -5.476 1.00 3.08 H new ATOM 1904 N THR A 139 8.134 -11.019 -7.035 1.00 1.77 N ATOM 1905 CA THR A 139 6.887 -10.263 -7.307 1.00 1.47 C ATOM 1906 C THR A 139 5.844 -11.210 -7.918 1.00 1.30 C ATOM 1907 O THR A 139 6.201 -12.129 -8.630 1.00 1.33 O ATOM 1908 CB THR A 139 7.200 -9.115 -8.277 1.00 1.24 C ATOM 1909 OG1 THR A 139 6.118 -8.195 -8.290 1.00 1.07 O ATOM 1910 CG2 THR A 139 7.433 -9.654 -9.697 1.00 1.14 C ATOM 0 H THR A 139 8.109 -12.005 -7.294 1.00 1.77 H new ATOM 0 HA THR A 139 6.487 -9.849 -6.381 1.00 1.47 H new ATOM 0 HB THR A 139 8.107 -8.613 -7.941 1.00 1.24 H new ATOM 0 HG1 THR A 139 6.244 -7.552 -9.018 1.00 1.07 H new ATOM 0 HG21 THR A 139 7.653 -8.825 -10.369 1.00 1.14 H new ATOM 0 HG22 THR A 139 8.273 -10.348 -9.689 1.00 1.14 H new ATOM 0 HG23 THR A 139 6.538 -10.172 -10.041 1.00 1.14 H new ATOM 1958 N THR A 143 -0.147 -12.004 -14.358 1.00 0.91 N ATOM 1959 CA THR A 143 -1.215 -12.958 -14.763 1.00 0.95 C ATOM 1960 C THR A 143 -1.881 -13.501 -13.500 1.00 0.89 C ATOM 1961 O THR A 143 -3.084 -13.662 -13.438 1.00 0.90 O ATOM 1962 CB THR A 143 -0.603 -14.110 -15.565 1.00 0.99 C ATOM 1963 OG1 THR A 143 0.409 -14.739 -14.790 1.00 0.66 O ATOM 1964 CG2 THR A 143 0.006 -13.566 -16.857 1.00 1.16 C ATOM 0 HA THR A 143 -1.953 -12.453 -15.386 1.00 0.95 H new ATOM 0 HB THR A 143 -1.378 -14.836 -15.809 1.00 0.99 H new ATOM 0 HG1 THR A 143 0.822 -14.080 -14.194 1.00 0.66 H new ATOM 0 HG21 THR A 143 0.442 -14.386 -17.428 1.00 1.16 H new ATOM 0 HG22 THR A 143 -0.771 -13.083 -17.450 1.00 1.16 H new ATOM 0 HG23 THR A 143 0.782 -12.840 -16.616 1.00 1.16 H new ATOM 1972 N THR A 144 -1.107 -13.764 -12.481 1.00 0.84 N ATOM 1973 CA THR A 144 -1.695 -14.272 -11.210 1.00 0.78 C ATOM 1974 C THR A 144 -2.354 -13.099 -10.485 1.00 0.68 C ATOM 1975 O THR A 144 -3.372 -13.243 -9.834 1.00 0.63 O ATOM 1976 CB THR A 144 -0.592 -14.870 -10.333 1.00 0.80 C ATOM 1977 OG1 THR A 144 0.170 -15.794 -11.098 1.00 0.97 O ATOM 1978 CG2 THR A 144 -1.219 -15.589 -9.138 1.00 0.69 C ATOM 0 H THR A 144 -0.094 -13.649 -12.475 1.00 0.84 H new ATOM 0 HA THR A 144 -2.433 -15.046 -11.419 1.00 0.78 H new ATOM 0 HB THR A 144 0.058 -14.072 -9.973 1.00 0.80 H new ATOM 0 HG1 THR A 144 0.878 -16.177 -10.539 1.00 0.97 H new ATOM 0 HG21 THR A 144 -0.432 -16.014 -8.515 1.00 0.69 H new ATOM 0 HG22 THR A 144 -1.802 -14.879 -8.552 1.00 0.69 H new ATOM 0 HG23 THR A 144 -1.870 -16.387 -9.494 1.00 0.69 H new ATOM 1986 N ASN A 145 -1.791 -11.929 -10.621 1.00 0.66 N ATOM 1987 CA ASN A 145 -2.391 -10.735 -9.973 1.00 0.57 C ATOM 1988 C ASN A 145 -3.686 -10.394 -10.704 1.00 0.51 C ATOM 1989 O ASN A 145 -4.525 -9.685 -10.195 1.00 0.41 O ATOM 1990 CB ASN A 145 -1.425 -9.552 -10.046 1.00 0.53 C ATOM 1991 CG ASN A 145 -1.195 -9.003 -8.636 1.00 0.53 C ATOM 1992 OD1 ASN A 145 -0.100 -8.601 -8.299 1.00 0.47 O ATOM 1993 ND2 ASN A 145 -2.192 -8.970 -7.790 1.00 0.61 N ATOM 0 H ASN A 145 -0.940 -11.751 -11.154 1.00 0.66 H new ATOM 0 HA ASN A 145 -2.595 -10.946 -8.923 1.00 0.57 H new ATOM 0 HB2 ASN A 145 -0.478 -9.866 -10.486 1.00 0.53 H new ATOM 0 HB3 ASN A 145 -1.833 -8.773 -10.690 1.00 0.53 H new ATOM 0 HD21 ASN A 145 -2.049 -8.607 -6.848 1.00 0.61 H new ATOM 0 HD22 ASN A 145 -3.112 -9.308 -8.073 1.00 0.61 H new ATOM 2000 N ALA A 146 -3.871 -10.917 -11.889 1.00 0.59 N ATOM 2001 CA ALA A 146 -5.130 -10.648 -12.626 1.00 0.57 C ATOM 2002 C ALA A 146 -6.233 -11.477 -11.975 1.00 0.58 C ATOM 2003 O ALA A 146 -7.395 -11.131 -12.025 1.00 0.59 O ATOM 2004 CB ALA A 146 -4.970 -11.056 -14.091 1.00 0.65 C ATOM 0 H ALA A 146 -3.203 -11.517 -12.373 1.00 0.59 H new ATOM 0 HA ALA A 146 -5.377 -9.587 -12.589 1.00 0.57 H new ATOM 0 HB1 ALA A 146 -5.897 -10.856 -14.628 1.00 0.65 H new ATOM 0 HB2 ALA A 146 -4.159 -10.483 -14.542 1.00 0.65 H new ATOM 0 HB3 ALA A 146 -4.739 -12.120 -14.149 1.00 0.65 H new ATOM 2010 N SER A 147 -5.868 -12.563 -11.347 1.00 0.58 N ATOM 2011 CA SER A 147 -6.884 -13.408 -10.666 1.00 0.58 C ATOM 2012 C SER A 147 -7.238 -12.748 -9.336 1.00 0.55 C ATOM 2013 O SER A 147 -8.387 -12.661 -8.962 1.00 0.56 O ATOM 2014 CB SER A 147 -6.311 -14.802 -10.412 1.00 0.59 C ATOM 2015 OG SER A 147 -7.249 -15.568 -9.670 1.00 1.14 O ATOM 0 H SER A 147 -4.908 -12.900 -11.278 1.00 0.58 H new ATOM 0 HA SER A 147 -7.773 -13.503 -11.289 1.00 0.58 H new ATOM 0 HB2 SER A 147 -6.090 -15.295 -11.359 1.00 0.59 H new ATOM 0 HB3 SER A 147 -5.371 -14.727 -9.865 1.00 0.59 H new ATOM 0 HG SER A 147 -6.885 -16.463 -9.507 1.00 1.14 H new ATOM 2021 N LEU A 148 -6.260 -12.258 -8.621 1.00 0.54 N ATOM 2022 CA LEU A 148 -6.568 -11.581 -7.330 1.00 0.51 C ATOM 2023 C LEU A 148 -7.498 -10.408 -7.627 1.00 0.49 C ATOM 2024 O LEU A 148 -8.514 -10.243 -6.997 1.00 0.53 O ATOM 2025 CB LEU A 148 -5.265 -11.065 -6.683 1.00 0.48 C ATOM 2026 CG LEU A 148 -5.559 -9.919 -5.692 1.00 0.46 C ATOM 2027 CD1 LEU A 148 -6.429 -10.421 -4.539 1.00 0.32 C ATOM 2028 CD2 LEU A 148 -4.252 -9.380 -5.132 1.00 0.48 C ATOM 0 H LEU A 148 -5.272 -12.297 -8.872 1.00 0.54 H new ATOM 0 HA LEU A 148 -7.043 -12.278 -6.640 1.00 0.51 H new ATOM 0 HB2 LEU A 148 -4.764 -11.882 -6.163 1.00 0.48 H new ATOM 0 HB3 LEU A 148 -4.583 -10.715 -7.458 1.00 0.48 H new ATOM 0 HG LEU A 148 -6.090 -9.128 -6.222 1.00 0.46 H new ATOM 0 HD11 LEU A 148 -6.627 -9.601 -3.849 1.00 0.32 H new ATOM 0 HD12 LEU A 148 -7.372 -10.800 -4.933 1.00 0.32 H new ATOM 0 HD13 LEU A 148 -5.909 -11.221 -4.012 1.00 0.32 H new ATOM 0 HD21 LEU A 148 -4.462 -8.571 -4.433 1.00 0.48 H new ATOM 0 HD22 LEU A 148 -3.721 -10.179 -4.614 1.00 0.48 H new ATOM 0 HD23 LEU A 148 -3.635 -9.003 -5.948 1.00 0.48 H new ATOM 2040 N LEU A 149 -7.127 -9.590 -8.572 1.00 0.41 N ATOM 2041 CA LEU A 149 -7.951 -8.402 -8.924 1.00 0.36 C ATOM 2042 C LEU A 149 -9.310 -8.858 -9.448 1.00 0.38 C ATOM 2043 O LEU A 149 -10.314 -8.225 -9.201 1.00 0.37 O ATOM 2044 CB LEU A 149 -7.220 -7.588 -10.002 1.00 0.30 C ATOM 2045 CG LEU A 149 -7.868 -6.209 -10.155 1.00 0.19 C ATOM 2046 CD1 LEU A 149 -7.893 -5.498 -8.802 1.00 0.24 C ATOM 2047 CD2 LEU A 149 -7.055 -5.372 -11.147 1.00 0.18 C ATOM 0 H LEU A 149 -6.275 -9.697 -9.123 1.00 0.41 H new ATOM 0 HA LEU A 149 -8.103 -7.782 -8.040 1.00 0.36 H new ATOM 0 HB2 LEU A 149 -6.170 -7.476 -9.733 1.00 0.30 H new ATOM 0 HB3 LEU A 149 -7.251 -8.120 -10.953 1.00 0.30 H new ATOM 0 HG LEU A 149 -8.887 -6.330 -10.522 1.00 0.19 H new ATOM 0 HD11 LEU A 149 -8.355 -4.517 -8.915 1.00 0.24 H new ATOM 0 HD12 LEU A 149 -8.468 -6.090 -8.090 1.00 0.24 H new ATOM 0 HD13 LEU A 149 -6.874 -5.379 -8.435 1.00 0.24 H new ATOM 0 HD21 LEU A 149 -7.515 -4.390 -11.257 1.00 0.18 H new ATOM 0 HD22 LEU A 149 -6.037 -5.256 -10.776 1.00 0.18 H new ATOM 0 HD23 LEU A 149 -7.034 -5.873 -12.115 1.00 0.18 H new ATOM 2059 N THR A 150 -9.364 -9.956 -10.150 1.00 0.44 N ATOM 2060 CA THR A 150 -10.683 -10.436 -10.646 1.00 0.49 C ATOM 2061 C THR A 150 -11.529 -10.819 -9.420 1.00 0.59 C ATOM 2062 O THR A 150 -12.743 -10.823 -9.459 1.00 0.69 O ATOM 2063 CB THR A 150 -10.481 -11.628 -11.616 1.00 0.58 C ATOM 2064 OG1 THR A 150 -11.527 -11.622 -12.577 1.00 0.95 O ATOM 2065 CG2 THR A 150 -10.481 -12.980 -10.886 1.00 0.57 C ATOM 0 H THR A 150 -8.562 -10.535 -10.399 1.00 0.44 H new ATOM 0 HA THR A 150 -11.203 -9.660 -11.208 1.00 0.49 H new ATOM 0 HB THR A 150 -9.508 -11.508 -12.092 1.00 0.58 H new ATOM 0 HG1 THR A 150 -11.407 -12.372 -13.196 1.00 0.95 H new ATOM 0 HG21 THR A 150 -10.336 -13.783 -11.608 1.00 0.57 H new ATOM 0 HG22 THR A 150 -9.672 -12.999 -10.155 1.00 0.57 H new ATOM 0 HG23 THR A 150 -11.434 -13.118 -10.376 1.00 0.57 H new ATOM 2073 N LYS A 151 -10.871 -11.133 -8.332 1.00 0.59 N ATOM 2074 CA LYS A 151 -11.588 -11.511 -7.084 1.00 0.69 C ATOM 2075 C LYS A 151 -11.966 -10.246 -6.301 1.00 0.63 C ATOM 2076 O LYS A 151 -12.981 -10.206 -5.635 1.00 0.70 O ATOM 2077 CB LYS A 151 -10.675 -12.390 -6.225 1.00 0.75 C ATOM 2078 CG LYS A 151 -11.392 -12.762 -4.925 1.00 0.95 C ATOM 2079 CD LYS A 151 -10.429 -12.594 -3.746 1.00 1.02 C ATOM 2080 CE LYS A 151 -10.691 -11.254 -3.057 1.00 1.79 C ATOM 2081 NZ LYS A 151 -10.899 -11.477 -1.597 1.00 2.07 N ATOM 0 H LYS A 151 -9.854 -11.142 -8.259 1.00 0.59 H new ATOM 0 HA LYS A 151 -12.495 -12.060 -7.337 1.00 0.69 H new ATOM 0 HB2 LYS A 151 -10.403 -13.292 -6.772 1.00 0.75 H new ATOM 0 HB3 LYS A 151 -9.749 -11.860 -6.002 1.00 0.75 H new ATOM 0 HG2 LYS A 151 -12.268 -12.129 -4.786 1.00 0.95 H new ATOM 0 HG3 LYS A 151 -11.747 -13.791 -4.975 1.00 0.95 H new ATOM 0 HD2 LYS A 151 -10.561 -13.411 -3.037 1.00 1.02 H new ATOM 0 HD3 LYS A 151 -9.398 -12.639 -4.096 1.00 1.02 H new ATOM 0 HE2 LYS A 151 -9.849 -10.580 -3.216 1.00 1.79 H new ATOM 0 HE3 LYS A 151 -11.569 -10.775 -3.491 1.00 1.79 H new ATOM 0 HZ1 LYS A 151 -11.077 -10.566 -1.129 1.00 2.07 H new ATOM 0 HZ2 LYS A 151 -11.716 -12.105 -1.455 1.00 2.07 H new ATOM 0 HZ3 LYS A 151 -10.049 -11.916 -1.188 1.00 2.07 H new ATOM 2095 N LEU A 152 -11.174 -9.201 -6.379 1.00 0.56 N ATOM 2096 CA LEU A 152 -11.528 -7.958 -5.641 1.00 0.59 C ATOM 2097 C LEU A 152 -12.785 -7.389 -6.277 1.00 0.61 C ATOM 2098 O LEU A 152 -13.699 -6.948 -5.610 1.00 0.63 O ATOM 2099 CB LEU A 152 -10.409 -6.915 -5.767 1.00 0.64 C ATOM 2100 CG LEU A 152 -9.048 -7.533 -5.440 1.00 0.39 C ATOM 2101 CD1 LEU A 152 -7.951 -6.493 -5.676 1.00 0.34 C ATOM 2102 CD2 LEU A 152 -9.016 -7.976 -3.977 1.00 0.53 C ATOM 0 H LEU A 152 -10.308 -9.160 -6.917 1.00 0.56 H new ATOM 0 HA LEU A 152 -11.676 -8.190 -4.586 1.00 0.59 H new ATOM 0 HB2 LEU A 152 -10.396 -6.510 -6.779 1.00 0.64 H new ATOM 0 HB3 LEU A 152 -10.606 -6.081 -5.093 1.00 0.64 H new ATOM 0 HG LEU A 152 -8.883 -8.398 -6.082 1.00 0.39 H new ATOM 0 HD11 LEU A 152 -6.980 -6.930 -5.444 1.00 0.34 H new ATOM 0 HD12 LEU A 152 -7.967 -6.177 -6.719 1.00 0.34 H new ATOM 0 HD13 LEU A 152 -8.124 -5.630 -5.033 1.00 0.34 H new ATOM 0 HD21 LEU A 152 -8.044 -8.415 -3.751 1.00 0.53 H new ATOM 0 HD22 LEU A 152 -9.183 -7.113 -3.332 1.00 0.53 H new ATOM 0 HD23 LEU A 152 -9.798 -8.716 -3.804 1.00 0.53 H new ATOM 2114 N GLN A 153 -12.820 -7.389 -7.578 1.00 0.61 N ATOM 2115 CA GLN A 153 -13.992 -6.843 -8.296 1.00 0.64 C ATOM 2116 C GLN A 153 -15.116 -7.882 -8.321 1.00 0.68 C ATOM 2117 O GLN A 153 -16.283 -7.547 -8.368 1.00 0.75 O ATOM 2118 CB GLN A 153 -13.585 -6.491 -9.727 1.00 0.64 C ATOM 2119 CG GLN A 153 -13.035 -5.064 -9.765 1.00 0.68 C ATOM 2120 CD GLN A 153 -13.735 -4.278 -10.874 1.00 0.80 C ATOM 2121 OE1 GLN A 153 -14.925 -4.419 -11.078 1.00 1.10 O ATOM 2122 NE2 GLN A 153 -13.043 -3.448 -11.605 1.00 0.92 N ATOM 0 H GLN A 153 -12.077 -7.749 -8.177 1.00 0.61 H new ATOM 0 HA GLN A 153 -14.347 -5.948 -7.785 1.00 0.64 H new ATOM 0 HB2 GLN A 153 -12.831 -7.192 -10.085 1.00 0.64 H new ATOM 0 HB3 GLN A 153 -14.444 -6.579 -10.393 1.00 0.64 H new ATOM 0 HG2 GLN A 153 -13.193 -4.576 -8.803 1.00 0.68 H new ATOM 0 HG3 GLN A 153 -11.959 -5.082 -9.940 1.00 0.68 H new ATOM 0 HE21 GLN A 153 -12.044 -3.329 -11.435 1.00 0.92 H new ATOM 0 HE22 GLN A 153 -13.501 -2.918 -12.347 1.00 0.92 H new ATOM 2131 N ALA A 154 -14.775 -9.141 -8.289 1.00 0.69 N ATOM 2132 CA ALA A 154 -15.825 -10.198 -8.311 1.00 0.72 C ATOM 2133 C ALA A 154 -16.588 -10.180 -6.987 1.00 0.87 C ATOM 2134 O ALA A 154 -17.717 -10.621 -6.903 1.00 1.52 O ATOM 2135 CB ALA A 154 -15.167 -11.566 -8.506 1.00 0.68 C ATOM 0 H ALA A 154 -13.815 -9.483 -8.249 1.00 0.69 H new ATOM 0 HA ALA A 154 -16.517 -10.010 -9.132 1.00 0.72 H new ATOM 0 HB1 ALA A 154 -15.934 -12.340 -8.522 1.00 0.68 H new ATOM 0 HB2 ALA A 154 -14.621 -11.576 -9.450 1.00 0.68 H new ATOM 0 HB3 ALA A 154 -14.476 -11.758 -7.685 1.00 0.68 H new ATOM 2141 N GLN A 155 -15.982 -9.668 -5.954 1.00 0.43 N ATOM 2142 CA GLN A 155 -16.668 -9.612 -4.636 1.00 0.58 C ATOM 2143 C GLN A 155 -18.003 -8.877 -4.785 1.00 0.64 C ATOM 2144 O GLN A 155 -18.115 -7.921 -5.526 1.00 0.91 O ATOM 2145 CB GLN A 155 -15.780 -8.858 -3.645 1.00 0.68 C ATOM 2146 CG GLN A 155 -14.452 -9.599 -3.485 1.00 0.49 C ATOM 2147 CD GLN A 155 -14.184 -9.851 -2.001 1.00 1.22 C ATOM 2148 OE1 GLN A 155 -14.555 -10.879 -1.471 1.00 1.25 O ATOM 2149 NE2 GLN A 155 -13.551 -8.948 -1.303 1.00 2.01 N ATOM 0 H GLN A 155 -15.037 -9.284 -5.967 1.00 0.43 H new ATOM 0 HA GLN A 155 -16.852 -10.623 -4.273 1.00 0.58 H new ATOM 0 HB2 GLN A 155 -15.602 -7.843 -3.999 1.00 0.68 H new ATOM 0 HB3 GLN A 155 -16.281 -8.776 -2.681 1.00 0.68 H new ATOM 0 HG2 GLN A 155 -14.484 -10.545 -4.025 1.00 0.49 H new ATOM 0 HG3 GLN A 155 -13.642 -9.012 -3.917 1.00 0.49 H new ATOM 0 HE21 GLN A 155 -13.240 -8.085 -1.748 1.00 2.01 H new ATOM 0 HE22 GLN A 155 -13.368 -9.105 -0.312 1.00 2.01 H new ATOM 2158 N ASN A 156 -19.016 -9.312 -4.082 1.00 0.46 N ATOM 2159 CA ASN A 156 -20.341 -8.630 -4.183 1.00 0.53 C ATOM 2160 C ASN A 156 -20.165 -7.138 -3.901 1.00 0.51 C ATOM 2161 O ASN A 156 -19.081 -6.680 -3.607 1.00 0.59 O ATOM 2162 CB ASN A 156 -21.302 -9.235 -3.157 1.00 0.57 C ATOM 2163 CG ASN A 156 -22.143 -10.326 -3.825 1.00 1.12 C ATOM 2164 OD1 ASN A 156 -22.387 -10.278 -5.015 1.00 1.59 O ATOM 2165 ND2 ASN A 156 -22.602 -11.313 -3.104 1.00 1.29 N ATOM 0 H ASN A 156 -18.984 -10.107 -3.444 1.00 0.46 H new ATOM 0 HA ASN A 156 -20.748 -8.765 -5.185 1.00 0.53 H new ATOM 0 HB2 ASN A 156 -20.742 -9.654 -2.321 1.00 0.57 H new ATOM 0 HB3 ASN A 156 -21.951 -8.460 -2.749 1.00 0.57 H new ATOM 0 HD21 ASN A 156 -23.165 -12.044 -3.539 1.00 1.29 H new ATOM 0 HD22 ASN A 156 -22.397 -11.353 -2.106 1.00 1.29 H new ATOM 2172 N GLN A 157 -21.219 -6.376 -3.984 1.00 0.55 N ATOM 2173 CA GLN A 157 -21.101 -4.916 -3.710 1.00 0.53 C ATOM 2174 C GLN A 157 -20.661 -4.723 -2.260 1.00 0.48 C ATOM 2175 O GLN A 157 -20.010 -3.758 -1.914 1.00 0.53 O ATOM 2176 CB GLN A 157 -22.460 -4.249 -3.920 1.00 0.54 C ATOM 2177 CG GLN A 157 -22.316 -2.733 -3.779 1.00 0.81 C ATOM 2178 CD GLN A 157 -22.461 -2.076 -5.153 1.00 0.94 C ATOM 2179 OE1 GLN A 157 -23.111 -1.057 -5.286 1.00 1.81 O ATOM 2180 NE2 GLN A 157 -21.878 -2.618 -6.186 1.00 1.40 N ATOM 0 H GLN A 157 -22.155 -6.699 -4.229 1.00 0.55 H new ATOM 0 HA GLN A 157 -20.371 -4.468 -4.384 1.00 0.53 H new ATOM 0 HB2 GLN A 157 -22.849 -4.497 -4.908 1.00 0.54 H new ATOM 0 HB3 GLN A 157 -23.177 -4.625 -3.191 1.00 0.54 H new ATOM 0 HG2 GLN A 157 -23.074 -2.347 -3.098 1.00 0.81 H new ATOM 0 HG3 GLN A 157 -21.345 -2.488 -3.348 1.00 0.81 H new ATOM 0 HE21 GLN A 157 -21.333 -3.473 -6.074 1.00 1.40 H new ATOM 0 HE22 GLN A 157 -21.967 -2.187 -7.106 1.00 1.40 H new ATOM 2189 N TRP A 158 -21.021 -5.644 -1.412 1.00 0.39 N ATOM 2190 CA TRP A 158 -20.643 -5.546 0.025 1.00 0.35 C ATOM 2191 C TRP A 158 -19.142 -5.801 0.188 1.00 0.32 C ATOM 2192 O TRP A 158 -18.382 -4.926 0.567 1.00 0.28 O ATOM 2193 CB TRP A 158 -21.421 -6.606 0.803 1.00 0.41 C ATOM 2194 CG TRP A 158 -21.082 -6.513 2.256 1.00 0.34 C ATOM 2195 CD1 TRP A 158 -19.906 -6.895 2.804 1.00 0.28 C ATOM 2196 CD2 TRP A 158 -21.904 -6.018 3.351 1.00 0.46 C ATOM 2197 NE1 TRP A 158 -19.953 -6.665 4.168 1.00 0.28 N ATOM 2198 CE2 TRP A 158 -21.165 -6.124 4.553 1.00 0.37 C ATOM 2199 CE3 TRP A 158 -23.206 -5.491 3.418 1.00 0.68 C ATOM 2200 CZ2 TRP A 158 -21.699 -5.722 5.778 1.00 0.48 C ATOM 2201 CZ3 TRP A 158 -23.747 -5.085 4.649 1.00 0.80 C ATOM 2202 CH2 TRP A 158 -22.996 -5.202 5.826 1.00 0.70 C ATOM 0 H TRP A 158 -21.567 -6.470 -1.656 1.00 0.39 H new ATOM 0 HA TRP A 158 -20.877 -4.550 0.401 1.00 0.35 H new ATOM 0 HB2 TRP A 158 -22.492 -6.463 0.660 1.00 0.41 H new ATOM 0 HB3 TRP A 158 -21.178 -7.599 0.426 1.00 0.41 H new ATOM 0 HD1 TRP A 158 -19.068 -7.311 2.265 1.00 0.28 H new ATOM 0 HE1 TRP A 158 -19.187 -6.870 4.810 1.00 0.28 H new ATOM 0 HE3 TRP A 158 -23.794 -5.398 2.517 1.00 0.68 H new ATOM 0 HZ2 TRP A 158 -21.115 -5.812 6.682 1.00 0.48 H new ATOM 0 HZ3 TRP A 158 -24.748 -4.680 4.688 1.00 0.80 H new ATOM 0 HH2 TRP A 158 -23.419 -4.891 6.770 1.00 0.70 H new ATOM 2213 N LEU A 159 -18.710 -6.998 -0.094 1.00 0.35 N ATOM 2214 CA LEU A 159 -17.264 -7.324 0.047 1.00 0.35 C ATOM 2215 C LEU A 159 -16.431 -6.371 -0.815 1.00 0.30 C ATOM 2216 O LEU A 159 -15.249 -6.196 -0.595 1.00 0.29 O ATOM 2217 CB LEU A 159 -17.026 -8.768 -0.396 1.00 0.40 C ATOM 2218 CG LEU A 159 -17.465 -9.722 0.717 1.00 0.53 C ATOM 2219 CD1 LEU A 159 -17.535 -11.147 0.167 1.00 0.64 C ATOM 2220 CD2 LEU A 159 -16.452 -9.668 1.863 1.00 0.45 C ATOM 0 H LEU A 159 -19.298 -7.767 -0.417 1.00 0.35 H new ATOM 0 HA LEU A 159 -16.965 -7.211 1.089 1.00 0.35 H new ATOM 0 HB2 LEU A 159 -17.584 -8.976 -1.309 1.00 0.40 H new ATOM 0 HB3 LEU A 159 -15.971 -8.920 -0.625 1.00 0.40 H new ATOM 0 HG LEU A 159 -18.447 -9.425 1.085 1.00 0.53 H new ATOM 0 HD11 LEU A 159 -17.848 -11.828 0.959 1.00 0.64 H new ATOM 0 HD12 LEU A 159 -18.255 -11.186 -0.651 1.00 0.64 H new ATOM 0 HD13 LEU A 159 -16.553 -11.444 -0.200 1.00 0.64 H new ATOM 0 HD21 LEU A 159 -16.764 -10.347 2.656 1.00 0.45 H new ATOM 0 HD22 LEU A 159 -15.470 -9.966 1.495 1.00 0.45 H new ATOM 0 HD23 LEU A 159 -16.400 -8.652 2.255 1.00 0.45 H new ATOM 2232 N GLN A 160 -17.036 -5.741 -1.786 1.00 0.34 N ATOM 2233 CA GLN A 160 -16.274 -4.790 -2.643 1.00 0.36 C ATOM 2234 C GLN A 160 -15.875 -3.591 -1.790 1.00 0.38 C ATOM 2235 O GLN A 160 -14.731 -3.184 -1.766 1.00 0.52 O ATOM 2236 CB GLN A 160 -17.154 -4.322 -3.806 1.00 0.59 C ATOM 2237 CG GLN A 160 -16.584 -4.847 -5.125 1.00 0.12 C ATOM 2238 CD GLN A 160 -16.581 -3.723 -6.163 1.00 0.72 C ATOM 2239 OE1 GLN A 160 -15.639 -2.962 -6.248 1.00 1.85 O ATOM 2240 NE2 GLN A 160 -17.602 -3.589 -6.964 1.00 0.84 N ATOM 0 H GLN A 160 -18.023 -5.844 -2.022 1.00 0.34 H new ATOM 0 HA GLN A 160 -15.387 -5.278 -3.047 1.00 0.36 H new ATOM 0 HB2 GLN A 160 -18.174 -4.681 -3.671 1.00 0.59 H new ATOM 0 HB3 GLN A 160 -17.199 -3.233 -3.826 1.00 0.59 H new ATOM 0 HG2 GLN A 160 -15.571 -5.219 -4.973 1.00 0.12 H new ATOM 0 HG3 GLN A 160 -17.181 -5.686 -5.483 1.00 0.12 H new ATOM 0 HE21 GLN A 160 -18.394 -4.228 -6.893 1.00 0.84 H new ATOM 0 HE22 GLN A 160 -17.609 -2.845 -7.662 1.00 0.84 H new ATOM 2249 N ASP A 161 -16.811 -3.033 -1.072 1.00 0.38 N ATOM 2250 CA ASP A 161 -16.486 -1.874 -0.200 1.00 0.51 C ATOM 2251 C ASP A 161 -15.407 -2.303 0.791 1.00 0.45 C ATOM 2252 O ASP A 161 -14.531 -1.538 1.145 1.00 0.59 O ATOM 2253 CB ASP A 161 -17.740 -1.440 0.561 1.00 0.69 C ATOM 2254 CG ASP A 161 -17.497 -0.077 1.212 1.00 0.89 C ATOM 2255 OD1 ASP A 161 -16.747 0.702 0.647 1.00 0.53 O ATOM 2256 OD2 ASP A 161 -18.066 0.164 2.264 1.00 1.52 O ATOM 0 H ASP A 161 -17.786 -3.331 -1.053 1.00 0.38 H new ATOM 0 HA ASP A 161 -16.129 -1.038 -0.802 1.00 0.51 H new ATOM 0 HB2 ASP A 161 -18.590 -1.383 -0.119 1.00 0.69 H new ATOM 0 HB3 ASP A 161 -17.990 -2.179 1.322 1.00 0.69 H new ATOM 2261 N MET A 162 -15.460 -3.531 1.236 1.00 0.37 N ATOM 2262 CA MET A 162 -14.431 -4.017 2.197 1.00 0.55 C ATOM 2263 C MET A 162 -13.049 -3.916 1.549 1.00 0.38 C ATOM 2264 O MET A 162 -12.104 -3.469 2.158 1.00 0.38 O ATOM 2265 CB MET A 162 -14.715 -5.482 2.562 1.00 0.73 C ATOM 2266 CG MET A 162 -13.566 -6.042 3.415 1.00 0.60 C ATOM 2267 SD MET A 162 -12.335 -6.822 2.337 1.00 1.56 S ATOM 2268 CE MET A 162 -10.922 -5.777 2.783 1.00 0.42 C ATOM 0 H MET A 162 -16.170 -4.215 0.975 1.00 0.37 H new ATOM 0 HA MET A 162 -14.461 -3.407 3.100 1.00 0.55 H new ATOM 0 HB2 MET A 162 -15.654 -5.554 3.110 1.00 0.73 H new ATOM 0 HB3 MET A 162 -14.829 -6.076 1.655 1.00 0.73 H new ATOM 0 HG2 MET A 162 -13.104 -5.241 3.992 1.00 0.60 H new ATOM 0 HG3 MET A 162 -13.951 -6.769 4.130 1.00 0.60 H new ATOM 0 HE1 MET A 162 -10.576 -5.237 1.901 1.00 0.42 H new ATOM 0 HE2 MET A 162 -11.225 -5.064 3.550 1.00 0.42 H new ATOM 0 HE3 MET A 162 -10.115 -6.401 3.166 1.00 0.42 H new ATOM 2278 N THR A 163 -12.922 -4.344 0.324 1.00 0.26 N ATOM 2279 CA THR A 163 -11.595 -4.291 -0.355 1.00 0.12 C ATOM 2280 C THR A 163 -10.962 -2.903 -0.195 1.00 0.12 C ATOM 2281 O THR A 163 -9.884 -2.764 0.345 1.00 0.22 O ATOM 2282 CB THR A 163 -11.768 -4.605 -1.842 1.00 0.10 C ATOM 2283 OG1 THR A 163 -12.322 -5.905 -1.986 1.00 0.26 O ATOM 2284 CG2 THR A 163 -10.402 -4.552 -2.527 1.00 0.30 C ATOM 0 H THR A 163 -13.681 -4.729 -0.238 1.00 0.26 H new ATOM 0 HA THR A 163 -10.938 -5.030 0.104 1.00 0.12 H new ATOM 0 HB THR A 163 -12.435 -3.874 -2.299 1.00 0.10 H new ATOM 0 HG1 THR A 163 -12.436 -6.109 -2.938 1.00 0.26 H new ATOM 0 HG21 THR A 163 -10.518 -4.775 -3.588 1.00 0.30 H new ATOM 0 HG22 THR A 163 -9.975 -3.556 -2.410 1.00 0.30 H new ATOM 0 HG23 THR A 163 -9.738 -5.287 -2.072 1.00 0.30 H new ATOM 2292 N THR A 164 -11.614 -1.880 -0.670 1.00 0.10 N ATOM 2293 CA THR A 164 -11.041 -0.506 -0.558 1.00 0.18 C ATOM 2294 C THR A 164 -10.765 -0.159 0.912 1.00 0.28 C ATOM 2295 O THR A 164 -9.902 0.642 1.217 1.00 0.41 O ATOM 2296 CB THR A 164 -12.043 0.499 -1.134 1.00 0.20 C ATOM 2297 OG1 THR A 164 -13.362 0.080 -0.814 1.00 1.58 O ATOM 2298 CG2 THR A 164 -11.884 0.571 -2.653 1.00 1.37 C ATOM 0 H THR A 164 -12.521 -1.934 -1.133 1.00 0.10 H new ATOM 0 HA THR A 164 -10.103 -0.464 -1.111 1.00 0.18 H new ATOM 0 HB THR A 164 -11.857 1.484 -0.707 1.00 0.20 H new ATOM 0 HG1 THR A 164 -13.360 -0.369 0.057 1.00 1.58 H new ATOM 0 HG21 THR A 164 -12.598 1.287 -3.060 1.00 1.37 H new ATOM 0 HG22 THR A 164 -10.871 0.890 -2.898 1.00 1.37 H new ATOM 0 HG23 THR A 164 -12.069 -0.412 -3.085 1.00 1.37 H new ATOM 2306 N HIS A 165 -11.498 -0.739 1.820 1.00 0.37 N ATOM 2307 CA HIS A 165 -11.289 -0.429 3.267 1.00 0.44 C ATOM 2308 C HIS A 165 -9.926 -0.963 3.737 1.00 0.37 C ATOM 2309 O HIS A 165 -9.162 -0.258 4.368 1.00 0.65 O ATOM 2310 CB HIS A 165 -12.419 -1.075 4.086 1.00 0.53 C ATOM 2311 CG HIS A 165 -12.126 -0.967 5.561 1.00 0.56 C ATOM 2312 ND1 HIS A 165 -12.006 -2.084 6.372 1.00 0.66 N ATOM 2313 CD2 HIS A 165 -11.916 0.115 6.380 1.00 0.54 C ATOM 2314 CE1 HIS A 165 -11.733 -1.656 7.616 1.00 0.70 C ATOM 2315 NE2 HIS A 165 -11.667 -0.322 7.678 1.00 0.64 N ATOM 0 H HIS A 165 -12.235 -1.416 1.625 1.00 0.37 H new ATOM 0 HA HIS A 165 -11.302 0.651 3.411 1.00 0.44 H new ATOM 0 HB2 HIS A 165 -13.366 -0.586 3.860 1.00 0.53 H new ATOM 0 HB3 HIS A 165 -12.527 -2.123 3.806 1.00 0.53 H new ATOM 0 HD2 HIS A 165 -11.940 1.148 6.065 1.00 0.54 H new ATOM 0 HE1 HIS A 165 -11.585 -2.310 8.463 1.00 0.70 H new ATOM 0 HE2 HIS A 165 -11.475 0.252 8.499 1.00 0.64 H new ATOM 2323 N LEU A 166 -9.625 -2.201 3.461 1.00 0.26 N ATOM 2324 CA LEU A 166 -8.328 -2.774 3.920 1.00 0.21 C ATOM 2325 C LEU A 166 -7.166 -2.160 3.135 1.00 0.12 C ATOM 2326 O LEU A 166 -6.077 -2.027 3.650 1.00 0.16 O ATOM 2327 CB LEU A 166 -8.352 -4.298 3.729 1.00 0.29 C ATOM 2328 CG LEU A 166 -7.175 -4.976 4.458 1.00 0.81 C ATOM 2329 CD1 LEU A 166 -5.867 -4.687 3.721 1.00 2.13 C ATOM 2330 CD2 LEU A 166 -7.076 -4.462 5.900 1.00 1.42 C ATOM 0 H LEU A 166 -10.221 -2.842 2.937 1.00 0.26 H new ATOM 0 HA LEU A 166 -8.186 -2.543 4.976 1.00 0.21 H new ATOM 0 HB2 LEU A 166 -9.294 -4.698 4.105 1.00 0.29 H new ATOM 0 HB3 LEU A 166 -8.307 -4.533 2.666 1.00 0.29 H new ATOM 0 HG LEU A 166 -7.350 -6.052 4.475 1.00 0.81 H new ATOM 0 HD11 LEU A 166 -5.041 -5.170 4.243 1.00 2.13 H new ATOM 0 HD12 LEU A 166 -5.929 -5.074 2.704 1.00 2.13 H new ATOM 0 HD13 LEU A 166 -5.697 -3.611 3.690 1.00 2.13 H new ATOM 0 HD21 LEU A 166 -6.241 -4.949 6.403 1.00 1.42 H new ATOM 0 HD22 LEU A 166 -6.916 -3.384 5.892 1.00 1.42 H new ATOM 0 HD23 LEU A 166 -8.001 -4.687 6.431 1.00 1.42 H new ATOM 2342 N ILE A 167 -7.372 -1.784 1.898 1.00 0.11 N ATOM 2343 CA ILE A 167 -6.243 -1.188 1.129 1.00 0.20 C ATOM 2344 C ILE A 167 -5.814 0.113 1.808 1.00 0.22 C ATOM 2345 O ILE A 167 -4.646 0.344 2.047 1.00 0.29 O ATOM 2346 CB ILE A 167 -6.667 -0.895 -0.314 1.00 0.25 C ATOM 2347 CG1 ILE A 167 -7.050 -2.205 -1.008 1.00 0.27 C ATOM 2348 CG2 ILE A 167 -5.497 -0.242 -1.066 1.00 0.32 C ATOM 2349 CD1 ILE A 167 -7.492 -1.915 -2.443 1.00 0.35 C ATOM 0 H ILE A 167 -8.257 -1.862 1.396 1.00 0.11 H new ATOM 0 HA ILE A 167 -5.414 -1.895 1.109 1.00 0.20 H new ATOM 0 HB ILE A 167 -7.523 -0.220 -0.313 1.00 0.25 H new ATOM 0 HG12 ILE A 167 -6.201 -2.889 -1.009 1.00 0.27 H new ATOM 0 HG13 ILE A 167 -7.855 -2.696 -0.461 1.00 0.27 H new ATOM 0 HG21 ILE A 167 -5.796 -0.033 -2.093 1.00 0.32 H new ATOM 0 HG22 ILE A 167 -5.221 0.689 -0.571 1.00 0.32 H new ATOM 0 HG23 ILE A 167 -4.643 -0.919 -1.068 1.00 0.32 H new ATOM 0 HD11 ILE A 167 -7.764 -2.848 -2.936 1.00 0.35 H new ATOM 0 HD12 ILE A 167 -8.353 -1.247 -2.430 1.00 0.35 H new ATOM 0 HD13 ILE A 167 -6.674 -1.443 -2.987 1.00 0.35 H new ATOM 2361 N LEU A 168 -6.752 0.965 2.124 1.00 0.23 N ATOM 2362 CA LEU A 168 -6.398 2.250 2.790 1.00 0.30 C ATOM 2363 C LEU A 168 -5.838 1.962 4.185 1.00 0.20 C ATOM 2364 O LEU A 168 -5.139 2.773 4.761 1.00 0.20 O ATOM 2365 CB LEU A 168 -7.644 3.127 2.914 1.00 0.42 C ATOM 2366 CG LEU A 168 -8.294 3.289 1.540 1.00 0.49 C ATOM 2367 CD1 LEU A 168 -9.814 3.366 1.701 1.00 0.92 C ATOM 2368 CD2 LEU A 168 -7.786 4.575 0.884 1.00 0.49 C ATOM 0 H LEU A 168 -7.747 0.826 1.950 1.00 0.23 H new ATOM 0 HA LEU A 168 -5.648 2.771 2.194 1.00 0.30 H new ATOM 0 HB2 LEU A 168 -8.351 2.677 3.611 1.00 0.42 H new ATOM 0 HB3 LEU A 168 -7.376 4.103 3.318 1.00 0.42 H new ATOM 0 HG LEU A 168 -8.037 2.435 0.914 1.00 0.49 H new ATOM 0 HD11 LEU A 168 -10.278 3.482 0.722 1.00 0.92 H new ATOM 0 HD12 LEU A 168 -10.177 2.451 2.169 1.00 0.92 H new ATOM 0 HD13 LEU A 168 -10.071 4.220 2.327 1.00 0.92 H new ATOM 0 HD21 LEU A 168 -8.249 4.691 -0.096 1.00 0.49 H new ATOM 0 HD22 LEU A 168 -8.043 5.429 1.510 1.00 0.49 H new ATOM 0 HD23 LEU A 168 -6.703 4.522 0.770 1.00 0.49 H new ATOM 2380 N ARG A 169 -6.137 0.817 4.735 1.00 0.12 N ATOM 2381 CA ARG A 169 -5.619 0.485 6.092 1.00 0.10 C ATOM 2382 C ARG A 169 -4.173 0.000 5.983 1.00 0.09 C ATOM 2383 O ARG A 169 -3.382 0.168 6.891 1.00 0.22 O ATOM 2384 CB ARG A 169 -6.482 -0.613 6.714 1.00 0.13 C ATOM 2385 CG ARG A 169 -6.639 -0.350 8.213 1.00 0.18 C ATOM 2386 CD ARG A 169 -5.484 -1.007 8.970 1.00 1.36 C ATOM 2387 NE ARG A 169 -5.711 -2.478 9.040 1.00 1.83 N ATOM 2388 CZ ARG A 169 -5.871 -3.059 10.197 1.00 1.94 C ATOM 2389 NH1 ARG A 169 -4.845 -3.244 10.981 1.00 2.60 N ATOM 2390 NH2 ARG A 169 -7.057 -3.456 10.569 1.00 2.12 N ATOM 0 H ARG A 169 -6.717 0.098 4.304 1.00 0.12 H new ATOM 0 HA ARG A 169 -5.656 1.374 6.721 1.00 0.10 H new ATOM 0 HB2 ARG A 169 -7.460 -0.637 6.234 1.00 0.13 H new ATOM 0 HB3 ARG A 169 -6.022 -1.588 6.551 1.00 0.13 H new ATOM 0 HG2 ARG A 169 -6.650 0.723 8.406 1.00 0.18 H new ATOM 0 HG3 ARG A 169 -7.591 -0.747 8.565 1.00 0.18 H new ATOM 0 HD2 ARG A 169 -4.540 -0.797 8.468 1.00 1.36 H new ATOM 0 HD3 ARG A 169 -5.410 -0.591 9.975 1.00 1.36 H new ATOM 0 HE ARG A 169 -5.741 -3.031 8.183 1.00 1.83 H new ATOM 0 HH11 ARG A 169 -3.918 -2.934 10.689 1.00 2.60 H new ATOM 0 HH12 ARG A 169 -4.970 -3.698 11.886 1.00 2.60 H new ATOM 0 HH21 ARG A 169 -7.859 -3.312 9.955 1.00 2.12 H new ATOM 0 HH22 ARG A 169 -7.182 -3.910 11.474 1.00 2.12 H new ATOM 2404 N SER A 170 -3.812 -0.589 4.873 1.00 0.16 N ATOM 2405 CA SER A 170 -2.417 -1.067 4.713 1.00 0.27 C ATOM 2406 C SER A 170 -1.537 0.136 4.416 1.00 0.16 C ATOM 2407 O SER A 170 -0.585 0.409 5.107 1.00 0.10 O ATOM 2408 CB SER A 170 -2.339 -2.058 3.552 1.00 0.44 C ATOM 2409 OG SER A 170 -1.694 -3.246 3.992 1.00 0.44 O ATOM 0 H SER A 170 -4.425 -0.757 4.075 1.00 0.16 H new ATOM 0 HA SER A 170 -2.084 -1.567 5.623 1.00 0.27 H new ATOM 0 HB2 SER A 170 -3.340 -2.288 3.187 1.00 0.44 H new ATOM 0 HB3 SER A 170 -1.789 -1.619 2.720 1.00 0.44 H new ATOM 0 HG SER A 170 -1.500 -3.818 3.220 1.00 0.44 H new ATOM 2415 N PHE A 171 -1.854 0.878 3.397 1.00 0.18 N ATOM 2416 CA PHE A 171 -1.028 2.070 3.075 1.00 0.14 C ATOM 2417 C PHE A 171 -0.874 2.936 4.327 1.00 0.04 C ATOM 2418 O PHE A 171 0.180 3.468 4.591 1.00 0.12 O ATOM 2419 CB PHE A 171 -1.696 2.866 1.951 1.00 0.23 C ATOM 2420 CG PHE A 171 -1.399 2.209 0.620 1.00 0.19 C ATOM 2421 CD1 PHE A 171 -0.114 1.722 0.336 1.00 1.59 C ATOM 2422 CD2 PHE A 171 -2.413 2.089 -0.336 1.00 1.34 C ATOM 2423 CE1 PHE A 171 0.153 1.122 -0.895 1.00 1.54 C ATOM 2424 CE2 PHE A 171 -2.145 1.487 -1.571 1.00 1.39 C ATOM 2425 CZ PHE A 171 -0.858 1.004 -1.850 1.00 0.12 C ATOM 0 H PHE A 171 -2.645 0.712 2.775 1.00 0.18 H new ATOM 0 HA PHE A 171 -0.039 1.756 2.742 1.00 0.14 H new ATOM 0 HB2 PHE A 171 -2.773 2.911 2.114 1.00 0.23 H new ATOM 0 HB3 PHE A 171 -1.330 3.893 1.951 1.00 0.23 H new ATOM 0 HD1 PHE A 171 0.671 1.812 1.073 1.00 1.59 H new ATOM 0 HD2 PHE A 171 -3.404 2.461 -0.121 1.00 1.34 H new ATOM 0 HE1 PHE A 171 1.143 0.748 -1.109 1.00 1.54 H new ATOM 0 HE2 PHE A 171 -2.929 1.394 -2.308 1.00 1.39 H new ATOM 0 HZ PHE A 171 -0.649 0.541 -2.803 1.00 0.12 H new ATOM 2435 N LYS A 172 -1.902 3.059 5.115 1.00 0.09 N ATOM 2436 CA LYS A 172 -1.784 3.875 6.355 1.00 0.15 C ATOM 2437 C LYS A 172 -0.696 3.279 7.255 1.00 0.12 C ATOM 2438 O LYS A 172 0.357 3.859 7.443 1.00 0.11 O ATOM 2439 CB LYS A 172 -3.120 3.870 7.100 1.00 0.26 C ATOM 2440 CG LYS A 172 -3.416 5.274 7.629 1.00 0.45 C ATOM 2441 CD LYS A 172 -4.394 5.975 6.685 1.00 0.70 C ATOM 2442 CE LYS A 172 -4.821 7.312 7.292 1.00 0.49 C ATOM 2443 NZ LYS A 172 -5.836 7.956 6.410 1.00 1.81 N ATOM 0 H LYS A 172 -2.815 2.633 4.957 1.00 0.09 H new ATOM 0 HA LYS A 172 -1.520 4.899 6.092 1.00 0.15 H new ATOM 0 HB2 LYS A 172 -3.919 3.546 6.433 1.00 0.26 H new ATOM 0 HB3 LYS A 172 -3.085 3.159 7.925 1.00 0.26 H new ATOM 0 HG2 LYS A 172 -3.840 5.215 8.632 1.00 0.45 H new ATOM 0 HG3 LYS A 172 -2.493 5.848 7.706 1.00 0.45 H new ATOM 0 HD2 LYS A 172 -3.925 6.138 5.714 1.00 0.70 H new ATOM 0 HD3 LYS A 172 -5.267 5.345 6.516 1.00 0.70 H new ATOM 0 HE2 LYS A 172 -5.236 7.156 8.288 1.00 0.49 H new ATOM 0 HE3 LYS A 172 -3.956 7.965 7.406 1.00 0.49 H new ATOM 0 HZ1 LYS A 172 -6.357 8.677 6.949 1.00 1.81 H new ATOM 0 HZ2 LYS A 172 -5.359 8.405 5.602 1.00 1.81 H new ATOM 0 HZ3 LYS A 172 -6.501 7.236 6.062 1.00 1.81 H new ATOM 2457 N GLU A 173 -0.941 2.123 7.815 1.00 0.13 N ATOM 2458 CA GLU A 173 0.075 1.491 8.708 1.00 0.11 C ATOM 2459 C GLU A 173 1.260 0.982 7.880 1.00 0.13 C ATOM 2460 O GLU A 173 2.373 1.435 8.042 1.00 0.18 O ATOM 2461 CB GLU A 173 -0.566 0.317 9.451 1.00 0.11 C ATOM 2462 CG GLU A 173 0.231 0.024 10.724 1.00 1.01 C ATOM 2463 CD GLU A 173 -0.163 -1.350 11.271 1.00 1.58 C ATOM 2464 OE1 GLU A 173 -0.634 -2.163 10.493 1.00 1.99 O ATOM 2465 OE2 GLU A 173 0.017 -1.567 12.458 1.00 1.98 O ATOM 0 H GLU A 173 -1.801 1.589 7.692 1.00 0.13 H new ATOM 0 HA GLU A 173 0.432 2.232 9.423 1.00 0.11 H new ATOM 0 HB2 GLU A 173 -1.600 0.553 9.703 1.00 0.11 H new ATOM 0 HB3 GLU A 173 -0.587 -0.565 8.811 1.00 0.11 H new ATOM 0 HG2 GLU A 173 1.300 0.049 10.510 1.00 1.01 H new ATOM 0 HG3 GLU A 173 0.038 0.793 11.471 1.00 1.01 H new ATOM 2472 N PHE A 174 1.022 0.028 7.012 1.00 0.12 N ATOM 2473 CA PHE A 174 2.114 -0.558 6.161 1.00 0.14 C ATOM 2474 C PHE A 174 3.130 0.513 5.722 1.00 0.12 C ATOM 2475 O PHE A 174 4.317 0.379 5.959 1.00 0.23 O ATOM 2476 CB PHE A 174 1.486 -1.196 4.919 1.00 0.14 C ATOM 2477 CG PHE A 174 2.285 -2.406 4.504 1.00 0.26 C ATOM 2478 CD1 PHE A 174 3.609 -2.256 4.084 1.00 0.40 C ATOM 2479 CD2 PHE A 174 1.697 -3.676 4.538 1.00 1.05 C ATOM 2480 CE1 PHE A 174 4.351 -3.377 3.697 1.00 0.25 C ATOM 2481 CE2 PHE A 174 2.439 -4.798 4.152 1.00 1.23 C ATOM 2482 CZ PHE A 174 3.767 -4.649 3.731 1.00 0.60 C ATOM 0 H PHE A 174 0.100 -0.379 6.852 1.00 0.12 H new ATOM 0 HA PHE A 174 2.646 -1.303 6.752 1.00 0.14 H new ATOM 0 HB2 PHE A 174 0.456 -1.484 5.129 1.00 0.14 H new ATOM 0 HB3 PHE A 174 1.455 -0.473 4.104 1.00 0.14 H new ATOM 0 HD1 PHE A 174 4.060 -1.275 4.058 1.00 0.40 H new ATOM 0 HD2 PHE A 174 0.673 -3.790 4.861 1.00 1.05 H new ATOM 0 HE1 PHE A 174 5.374 -3.261 3.372 1.00 0.25 H new ATOM 0 HE2 PHE A 174 1.988 -5.779 4.179 1.00 1.23 H new ATOM 0 HZ PHE A 174 4.340 -5.515 3.433 1.00 0.60 H new ATOM 2492 N LEU A 175 2.691 1.572 5.087 1.00 0.08 N ATOM 2493 CA LEU A 175 3.668 2.613 4.651 1.00 0.09 C ATOM 2494 C LEU A 175 4.275 3.299 5.880 1.00 0.11 C ATOM 2495 O LEU A 175 5.445 3.613 5.905 1.00 0.11 O ATOM 2496 CB LEU A 175 2.975 3.673 3.790 1.00 0.08 C ATOM 2497 CG LEU A 175 2.483 3.062 2.473 1.00 0.12 C ATOM 2498 CD1 LEU A 175 1.423 3.974 1.861 1.00 0.16 C ATOM 2499 CD2 LEU A 175 3.648 2.941 1.488 1.00 0.17 C ATOM 0 H LEU A 175 1.715 1.758 4.855 1.00 0.08 H new ATOM 0 HA LEU A 175 4.449 2.127 4.067 1.00 0.09 H new ATOM 0 HB2 LEU A 175 2.133 4.099 4.336 1.00 0.08 H new ATOM 0 HB3 LEU A 175 3.667 4.489 3.582 1.00 0.08 H new ATOM 0 HG LEU A 175 2.066 2.075 2.673 1.00 0.12 H new ATOM 0 HD11 LEU A 175 1.070 3.544 0.924 1.00 0.16 H new ATOM 0 HD12 LEU A 175 0.586 4.074 2.552 1.00 0.16 H new ATOM 0 HD13 LEU A 175 1.855 4.956 1.669 1.00 0.16 H new ATOM 0 HD21 LEU A 175 3.291 2.506 0.554 1.00 0.17 H new ATOM 0 HD22 LEU A 175 4.063 3.930 1.292 1.00 0.17 H new ATOM 0 HD23 LEU A 175 4.420 2.301 1.915 1.00 0.17 H new ATOM 2511 N GLN A 176 3.486 3.545 6.897 1.00 0.12 N ATOM 2512 CA GLN A 176 4.024 4.223 8.118 1.00 0.14 C ATOM 2513 C GLN A 176 5.305 3.525 8.591 1.00 0.07 C ATOM 2514 O GLN A 176 6.333 4.150 8.778 1.00 0.07 O ATOM 2515 CB GLN A 176 2.975 4.171 9.233 1.00 0.21 C ATOM 2516 CG GLN A 176 2.218 5.501 9.286 1.00 0.34 C ATOM 2517 CD GLN A 176 1.110 5.415 10.337 1.00 1.15 C ATOM 2518 OE1 GLN A 176 0.125 4.730 10.144 1.00 2.34 O ATOM 2519 NE2 GLN A 176 1.229 6.085 11.451 1.00 0.80 N ATOM 0 H GLN A 176 2.495 3.306 6.935 1.00 0.12 H new ATOM 0 HA GLN A 176 4.254 5.260 7.875 1.00 0.14 H new ATOM 0 HB2 GLN A 176 2.279 3.351 9.054 1.00 0.21 H new ATOM 0 HB3 GLN A 176 3.457 3.976 10.191 1.00 0.21 H new ATOM 0 HG2 GLN A 176 2.904 6.312 9.530 1.00 0.34 H new ATOM 0 HG3 GLN A 176 1.791 5.728 8.309 1.00 0.34 H new ATOM 0 HE21 GLN A 176 2.055 6.660 11.614 1.00 0.80 H new ATOM 0 HE22 GLN A 176 0.496 6.033 12.158 1.00 0.80 H new ATOM 2528 N SER A 177 5.257 2.235 8.785 1.00 0.19 N ATOM 2529 CA SER A 177 6.476 1.510 9.240 1.00 0.18 C ATOM 2530 C SER A 177 7.553 1.624 8.161 1.00 0.07 C ATOM 2531 O SER A 177 8.729 1.693 8.453 1.00 0.10 O ATOM 2532 CB SER A 177 6.142 0.039 9.481 1.00 0.30 C ATOM 2533 OG SER A 177 5.490 -0.095 10.739 1.00 0.77 O ATOM 0 H SER A 177 4.430 1.654 8.649 1.00 0.19 H new ATOM 0 HA SER A 177 6.838 1.948 10.170 1.00 0.18 H new ATOM 0 HB2 SER A 177 5.500 -0.335 8.684 1.00 0.30 H new ATOM 0 HB3 SER A 177 7.052 -0.560 9.465 1.00 0.30 H new ATOM 0 HG SER A 177 6.013 -0.689 11.317 1.00 0.77 H new ATOM 2539 N SER A 178 7.160 1.651 6.914 1.00 0.14 N ATOM 2540 CA SER A 178 8.165 1.771 5.819 1.00 0.18 C ATOM 2541 C SER A 178 8.889 3.114 5.944 1.00 0.25 C ATOM 2542 O SER A 178 10.012 3.272 5.509 1.00 0.47 O ATOM 2543 CB SER A 178 7.455 1.702 4.467 1.00 0.33 C ATOM 2544 OG SER A 178 8.420 1.537 3.436 1.00 0.78 O ATOM 0 H SER A 178 6.189 1.595 6.608 1.00 0.14 H new ATOM 0 HA SER A 178 8.886 0.957 5.893 1.00 0.18 H new ATOM 0 HB2 SER A 178 6.749 0.871 4.456 1.00 0.33 H new ATOM 0 HB3 SER A 178 6.879 2.612 4.299 1.00 0.33 H new ATOM 0 HG SER A 178 7.978 1.587 2.563 1.00 0.78 H new ATOM 2550 N LEU A 179 8.246 4.083 6.538 1.00 0.22 N ATOM 2551 CA LEU A 179 8.877 5.422 6.700 1.00 0.26 C ATOM 2552 C LEU A 179 9.929 5.359 7.807 1.00 0.22 C ATOM 2553 O LEU A 179 11.049 5.800 7.638 1.00 0.41 O ATOM 2554 CB LEU A 179 7.804 6.440 7.093 1.00 0.33 C ATOM 2555 CG LEU A 179 7.327 7.196 5.852 1.00 0.26 C ATOM 2556 CD1 LEU A 179 5.807 7.071 5.732 1.00 0.62 C ATOM 2557 CD2 LEU A 179 7.704 8.674 5.982 1.00 0.37 C ATOM 0 H LEU A 179 7.304 4.002 6.920 1.00 0.22 H new ATOM 0 HA LEU A 179 9.347 5.718 5.762 1.00 0.26 H new ATOM 0 HB2 LEU A 179 6.964 5.932 7.566 1.00 0.33 H new ATOM 0 HB3 LEU A 179 8.205 7.141 7.825 1.00 0.33 H new ATOM 0 HG LEU A 179 7.799 6.774 4.965 1.00 0.26 H new ATOM 0 HD11 LEU A 179 5.466 7.610 4.848 1.00 0.62 H new ATOM 0 HD12 LEU A 179 5.534 6.019 5.644 1.00 0.62 H new ATOM 0 HD13 LEU A 179 5.336 7.495 6.619 1.00 0.62 H new ATOM 0 HD21 LEU A 179 7.365 9.215 5.099 1.00 0.37 H new ATOM 0 HD22 LEU A 179 7.229 9.094 6.869 1.00 0.37 H new ATOM 0 HD23 LEU A 179 8.786 8.767 6.071 1.00 0.37 H new ATOM 2569 N ARG A 180 9.573 4.827 8.944 1.00 0.17 N ATOM 2570 CA ARG A 180 10.550 4.750 10.069 1.00 0.40 C ATOM 2571 C ARG A 180 11.668 3.757 9.734 1.00 0.47 C ATOM 2572 O ARG A 180 12.741 3.807 10.304 1.00 0.63 O ATOM 2573 CB ARG A 180 9.828 4.293 11.338 1.00 0.52 C ATOM 2574 CG ARG A 180 9.811 5.437 12.354 1.00 0.87 C ATOM 2575 CD ARG A 180 8.822 5.114 13.475 1.00 0.50 C ATOM 2576 NE ARG A 180 8.725 6.276 14.401 1.00 1.41 N ATOM 2577 CZ ARG A 180 8.530 6.080 15.677 1.00 1.64 C ATOM 2578 NH1 ARG A 180 7.381 5.629 16.100 1.00 1.25 N ATOM 2579 NH2 ARG A 180 9.484 6.337 16.529 1.00 2.74 N ATOM 0 H ARG A 180 8.649 4.443 9.143 1.00 0.17 H new ATOM 0 HA ARG A 180 10.987 5.736 10.227 1.00 0.40 H new ATOM 0 HB2 ARG A 180 8.809 3.988 11.100 1.00 0.52 H new ATOM 0 HB3 ARG A 180 10.330 3.423 11.762 1.00 0.52 H new ATOM 0 HG2 ARG A 180 10.809 5.585 12.767 1.00 0.87 H new ATOM 0 HG3 ARG A 180 9.528 6.368 11.863 1.00 0.87 H new ATOM 0 HD2 ARG A 180 7.842 4.887 13.056 1.00 0.50 H new ATOM 0 HD3 ARG A 180 9.149 4.228 14.019 1.00 0.50 H new ATOM 0 HE ARG A 180 8.811 7.225 14.038 1.00 1.41 H new ATOM 0 HH11 ARG A 180 6.635 5.429 15.434 1.00 1.25 H new ATOM 0 HH12 ARG A 180 7.229 5.476 17.097 1.00 1.25 H new ATOM 0 HH21 ARG A 180 10.382 6.691 16.198 1.00 2.74 H new ATOM 0 HH22 ARG A 180 9.332 6.184 17.526 1.00 2.74 H new ATOM 2593 N ALA A 181 11.435 2.854 8.820 1.00 0.36 N ATOM 2594 CA ALA A 181 12.494 1.870 8.471 1.00 0.45 C ATOM 2595 C ALA A 181 13.431 2.481 7.433 1.00 0.64 C ATOM 2596 O ALA A 181 14.624 2.256 7.451 1.00 0.80 O ATOM 2597 CB ALA A 181 11.850 0.605 7.898 1.00 0.23 C ATOM 0 H ALA A 181 10.561 2.757 8.303 1.00 0.36 H new ATOM 0 HA ALA A 181 13.060 1.613 9.366 1.00 0.45 H new ATOM 0 HB1 ALA A 181 12.627 -0.115 7.643 1.00 0.23 H new ATOM 0 HB2 ALA A 181 11.181 0.169 8.640 1.00 0.23 H new ATOM 0 HB3 ALA A 181 11.283 0.859 7.003 1.00 0.23 H new ATOM 2603 N LEU A 182 12.904 3.256 6.526 1.00 0.68 N ATOM 2604 CA LEU A 182 13.772 3.877 5.491 1.00 0.93 C ATOM 2605 C LEU A 182 14.540 5.050 6.100 1.00 1.16 C ATOM 2606 O LEU A 182 15.587 5.433 5.621 1.00 1.47 O ATOM 2607 CB LEU A 182 12.910 4.372 4.329 1.00 1.08 C ATOM 2608 CG LEU A 182 12.790 3.266 3.281 1.00 1.34 C ATOM 2609 CD1 LEU A 182 11.440 3.379 2.572 1.00 1.85 C ATOM 2610 CD2 LEU A 182 13.920 3.407 2.258 1.00 1.34 C ATOM 0 H LEU A 182 11.912 3.485 6.458 1.00 0.68 H new ATOM 0 HA LEU A 182 14.482 3.136 5.123 1.00 0.93 H new ATOM 0 HB2 LEU A 182 11.921 4.655 4.690 1.00 1.08 H new ATOM 0 HB3 LEU A 182 13.355 5.263 3.885 1.00 1.08 H new ATOM 0 HG LEU A 182 12.862 2.294 3.769 1.00 1.34 H new ATOM 0 HD11 LEU A 182 11.354 2.590 1.825 1.00 1.85 H new ATOM 0 HD12 LEU A 182 10.636 3.277 3.301 1.00 1.85 H new ATOM 0 HD13 LEU A 182 11.366 4.351 2.084 1.00 1.85 H new ATOM 0 HD21 LEU A 182 13.835 2.618 1.511 1.00 1.34 H new ATOM 0 HD22 LEU A 182 13.850 4.379 1.770 1.00 1.34 H new ATOM 0 HD23 LEU A 182 14.882 3.324 2.764 1.00 1.34 H new ATOM 2622 N ARG A 183 14.028 5.624 7.155 1.00 1.04 N ATOM 2623 CA ARG A 183 14.733 6.770 7.793 1.00 1.29 C ATOM 2624 C ARG A 183 15.774 6.241 8.781 1.00 1.39 C ATOM 2625 O ARG A 183 16.826 6.821 8.959 1.00 1.70 O ATOM 2626 CB ARG A 183 13.721 7.644 8.537 1.00 1.24 C ATOM 2627 CG ARG A 183 13.453 8.915 7.729 1.00 2.24 C ATOM 2628 CD ARG A 183 13.285 10.100 8.682 1.00 1.74 C ATOM 2629 NE ARG A 183 12.028 9.934 9.463 1.00 1.95 N ATOM 2630 CZ ARG A 183 12.076 9.836 10.763 1.00 1.95 C ATOM 2631 NH1 ARG A 183 12.170 10.912 11.495 1.00 1.52 N ATOM 2632 NH2 ARG A 183 12.031 8.662 11.331 1.00 3.14 N ATOM 0 H ARG A 183 13.153 5.349 7.601 1.00 1.04 H new ATOM 0 HA ARG A 183 15.229 7.364 7.025 1.00 1.29 H new ATOM 0 HB2 ARG A 183 12.792 7.094 8.689 1.00 1.24 H new ATOM 0 HB3 ARG A 183 14.104 7.902 9.524 1.00 1.24 H new ATOM 0 HG2 ARG A 183 14.278 9.102 7.041 1.00 2.24 H new ATOM 0 HG3 ARG A 183 12.555 8.791 7.124 1.00 2.24 H new ATOM 0 HD2 ARG A 183 14.139 10.162 9.356 1.00 1.74 H new ATOM 0 HD3 ARG A 183 13.255 11.032 8.118 1.00 1.74 H new ATOM 0 HE ARG A 183 11.130 9.897 8.982 1.00 1.95 H new ATOM 0 HH11 ARG A 183 12.206 11.829 11.051 1.00 1.52 H new ATOM 0 HH12 ARG A 183 12.208 10.836 12.511 1.00 1.52 H new ATOM 0 HH21 ARG A 183 11.958 7.821 10.759 1.00 3.14 H new ATOM 0 HH22 ARG A 183 12.069 8.585 12.347 1.00 3.14 H new ATOM 2646 N GLN A 184 15.490 5.142 9.426 1.00 1.17 N ATOM 2647 CA GLN A 184 16.464 4.579 10.403 1.00 1.35 C ATOM 2648 C GLN A 184 17.546 3.791 9.655 1.00 1.33 C ATOM 2649 O GLN A 184 18.620 3.553 10.170 1.00 1.49 O ATOM 2650 CB GLN A 184 15.732 3.646 11.368 1.00 1.24 C ATOM 2651 CG GLN A 184 14.753 4.458 12.218 1.00 1.67 C ATOM 2652 CD GLN A 184 15.514 5.159 13.344 1.00 2.22 C ATOM 2653 OE1 GLN A 184 15.621 6.369 13.360 1.00 3.28 O ATOM 2654 NE2 GLN A 184 16.052 4.444 14.294 1.00 1.75 N ATOM 0 H GLN A 184 14.626 4.610 9.318 1.00 1.17 H new ATOM 0 HA GLN A 184 16.929 5.392 10.961 1.00 1.35 H new ATOM 0 HB2 GLN A 184 15.196 2.877 10.811 1.00 1.24 H new ATOM 0 HB3 GLN A 184 16.449 3.134 12.009 1.00 1.24 H new ATOM 0 HG2 GLN A 184 14.241 5.194 11.598 1.00 1.67 H new ATOM 0 HG3 GLN A 184 13.987 3.804 12.635 1.00 1.67 H new ATOM 0 HE21 GLN A 184 15.962 3.428 14.281 1.00 1.75 H new ATOM 0 HE22 GLN A 184 16.562 4.901 15.050 1.00 1.75 H new ATOM 2663 N MET A 185 17.270 3.382 8.447 1.00 1.15 N ATOM 2664 CA MET A 185 18.280 2.608 7.673 1.00 1.19 C ATOM 2665 C MET A 185 19.547 3.448 7.499 1.00 1.17 C ATOM 2666 O MET A 185 19.527 4.603 7.891 1.00 1.19 O ATOM 2667 CB MET A 185 17.705 2.257 6.300 1.00 1.38 C ATOM 2668 CG MET A 185 16.988 0.907 6.375 1.00 0.92 C ATOM 2669 SD MET A 185 16.052 0.636 4.849 1.00 1.16 S ATOM 2670 CE MET A 185 14.579 -0.091 5.608 1.00 0.59 C ATOM 2671 OXT MET A 185 20.515 2.923 6.976 1.00 1.73 O ATOM 0 H MET A 185 16.388 3.551 7.963 1.00 1.15 H new ATOM 0 HA MET A 185 18.527 1.692 8.210 1.00 1.19 H new ATOM 0 HB2 MET A 185 17.010 3.032 5.976 1.00 1.38 H new ATOM 0 HB3 MET A 185 18.504 2.216 5.560 1.00 1.38 H new ATOM 0 HG2 MET A 185 17.713 0.105 6.517 1.00 0.92 H new ATOM 0 HG3 MET A 185 16.318 0.886 7.234 1.00 0.92 H new ATOM 0 HE1 MET A 185 14.429 -1.098 5.219 1.00 0.59 H new ATOM 0 HE2 MET A 185 14.711 -0.135 6.689 1.00 0.59 H new ATOM 0 HE3 MET A 185 13.709 0.522 5.373 1.00 0.59 H new