USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 768 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 138 THR OG1 : rot 180:sc= -0.057 USER MOD Set 1.2: B 139 GLN :FLIP amide:sc= -0.093 F(o=-0.78,f=-0.15) USER MOD Set 2.1: A 23 THR OG1 : rot 71:sc= 0.979 USER MOD Set 2.2: B 124 ASN : amide:sc= -1.52! X(o=-0.54!,f=-0.33) USER MOD Set 3.1: A 33 GLN :FLIP amide:sc= -0.928! C(o=-2.9!,f=-0.75!) USER MOD Set 3.2: A 38 THR OG1 : rot 170:sc= 0.178 USER MOD Single : A 1 ASP N :NH3+ -169:sc= 0 (180deg=-0.0644) USER MOD Single : A 3 LYS NZ :NH3+ 160:sc= -0.179 (180deg=-0.63) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0318 X(o=-0.032,f=-0.11) USER MOD Single : A 13 ASN : amide:sc= -0.389 X(o=-0.39,f=-0.019) USER MOD Single : A 15 LYS NZ :NH3+ -164:sc= 0.512 (180deg=0.385) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -2.56 K(o=-2.6,f=-4.3!) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -1.59 F(o=-3.9!,f=-1.6) USER MOD Single : A 25 MET CE :methyl -163:sc= -0.238 (180deg=-0.289) USER MOD Single : A 28 THR OG1 : rot 73:sc= 0.498 USER MOD Single : A 31 LYS NZ :NH3+ 156:sc= 1.17 (180deg=0.755) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.0106 F(o=-0.68,f=-0.011) USER MOD Single : A 41 GLN : amide:sc= -0.964 K(o=-0.96,f=-9.8!) USER MOD Single : B 103 LYS NZ :NH3+ 167:sc= 1.35 (180deg=1.21) USER MOD Single : B 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 GLN : amide:sc= -0.319 X(o=-0.32,f=-0.058) USER MOD Single : B 113 ASN : amide:sc= -0.0578 X(o=-0.058,f=-0.067) USER MOD Single : B 115 LYS NZ :NH3+ 138:sc= 0.324 (180deg=-0.234) USER MOD Single : B 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 119 GLN : amide:sc= -2.26 X(o=-2.3,f=-2.2) USER MOD Single : B 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 123 THR OG1 : rot 72:sc= 1.16 USER MOD Single : B 125 MET CE :methyl 145:sc= -0.295 (180deg=-2.11!) USER MOD Single : B 128 THR OG1 : rot 67:sc= 1.23 USER MOD Single : B 131 LYS NZ :NH3+ -146:sc= 0.00241 (180deg=0) USER MOD Single : B 133 GLN :FLIP amide:sc= -0.296 F(o=-2.4,f=-0.3) USER MOD Single : B 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 141 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 15.263 -6.207 24.219 1.00 73.21 N ATOM 2 CA ASP A 1 15.595 -6.271 22.767 1.00 32.54 C ATOM 3 C ASP A 1 14.325 -6.414 21.923 1.00 73.44 C ATOM 4 O ASP A 1 14.101 -5.667 20.970 1.00 41.32 O ATOM 5 CB ASP A 1 16.537 -7.465 22.462 1.00 63.44 C ATOM 6 CG ASP A 1 17.808 -7.438 23.310 1.00 11.32 C ATOM 7 OD1 ASP A 1 18.797 -6.790 22.907 1.00 3.54 O ATOM 8 OD2 ASP A 1 17.814 -8.035 24.407 1.00 44.50 O ATOM 0 H1 ASP A 1 16.108 -5.925 24.756 1.00 73.21 H new ATOM 0 H2 ASP A 1 14.507 -5.509 24.372 1.00 73.21 H new ATOM 0 H3 ASP A 1 14.942 -7.142 24.543 1.00 73.21 H new ATOM 0 HA ASP A 1 16.100 -5.340 22.510 1.00 32.54 H new ATOM 0 HB2 ASP A 1 16.004 -8.399 22.641 1.00 63.44 H new ATOM 0 HB3 ASP A 1 16.808 -7.450 21.406 1.00 63.44 H new ATOM 15 N PHE A 2 13.494 -7.395 22.293 1.00 25.54 N ATOM 16 CA PHE A 2 12.346 -7.832 21.484 1.00 74.13 C ATOM 17 C PHE A 2 11.163 -6.838 21.492 1.00 50.54 C ATOM 18 O PHE A 2 10.266 -6.942 20.648 1.00 35.33 O ATOM 19 CB PHE A 2 11.895 -9.231 21.951 1.00 10.04 C ATOM 20 CG PHE A 2 12.851 -10.369 21.557 1.00 43.14 C ATOM 21 CD1 PHE A 2 13.669 -10.997 22.496 1.00 22.23 C ATOM 22 CD2 PHE A 2 12.911 -10.814 20.242 1.00 42.21 C ATOM 23 CE1 PHE A 2 14.513 -12.030 22.128 1.00 32.33 C ATOM 24 CE2 PHE A 2 13.751 -11.844 19.871 1.00 24.24 C ATOM 25 CZ PHE A 2 14.554 -12.454 20.813 1.00 41.12 C ATOM 0 H PHE A 2 13.598 -7.912 23.166 1.00 25.54 H new ATOM 0 HA PHE A 2 12.681 -7.872 20.448 1.00 74.13 H new ATOM 0 HB2 PHE A 2 11.788 -9.222 23.036 1.00 10.04 H new ATOM 0 HB3 PHE A 2 10.909 -9.440 21.535 1.00 10.04 H new ATOM 0 HD1 PHE A 2 13.643 -10.672 23.526 1.00 22.23 H new ATOM 0 HD2 PHE A 2 12.288 -10.344 19.495 1.00 42.21 H new ATOM 0 HE1 PHE A 2 15.140 -12.505 22.868 1.00 32.33 H new ATOM 0 HE2 PHE A 2 13.780 -12.173 18.843 1.00 24.24 H new ATOM 0 HZ PHE A 2 15.212 -13.260 20.524 1.00 41.12 H new ATOM 35 N LYS A 3 11.181 -5.862 22.420 1.00 60.10 N ATOM 36 CA LYS A 3 10.112 -4.848 22.509 1.00 60.23 C ATOM 37 C LYS A 3 10.233 -3.885 21.314 1.00 62.31 C ATOM 38 O LYS A 3 9.235 -3.462 20.712 1.00 23.51 O ATOM 39 CB LYS A 3 10.148 -4.111 23.895 1.00 24.02 C ATOM 40 CG LYS A 3 11.089 -2.875 24.066 1.00 14.25 C ATOM 41 CD LYS A 3 12.597 -3.127 23.749 1.00 73.22 C ATOM 42 CE LYS A 3 13.508 -2.041 24.333 1.00 24.02 C ATOM 43 NZ LYS A 3 13.326 -1.854 25.802 1.00 1.35 N ATOM 0 H LYS A 3 11.920 -5.754 23.115 1.00 60.10 H new ATOM 0 HA LYS A 3 9.136 -5.330 22.454 1.00 60.23 H new ATOM 0 HB2 LYS A 3 9.133 -3.787 24.123 1.00 24.02 H new ATOM 0 HB3 LYS A 3 10.426 -4.845 24.652 1.00 24.02 H new ATOM 0 HG2 LYS A 3 10.729 -2.075 23.420 1.00 14.25 H new ATOM 0 HG3 LYS A 3 11.007 -2.517 25.092 1.00 14.25 H new ATOM 0 HD2 LYS A 3 12.892 -4.098 24.148 1.00 73.22 H new ATOM 0 HD3 LYS A 3 12.736 -3.171 22.669 1.00 73.22 H new ATOM 0 HE2 LYS A 3 14.547 -2.300 24.131 1.00 24.02 H new ATOM 0 HE3 LYS A 3 13.310 -1.097 23.825 1.00 24.02 H new ATOM 0 HZ1 LYS A 3 14.163 -1.381 26.198 1.00 1.35 H new ATOM 0 HZ2 LYS A 3 12.483 -1.270 25.976 1.00 1.35 H new ATOM 0 HZ3 LYS A 3 13.205 -2.781 26.258 1.00 1.35 H new ATOM 57 N LYS A 4 11.500 -3.593 20.950 1.00 43.40 N ATOM 58 CA LYS A 4 11.821 -2.678 19.862 1.00 24.05 C ATOM 59 C LYS A 4 11.805 -3.447 18.541 1.00 35.31 C ATOM 60 O LYS A 4 11.643 -2.845 17.503 1.00 2.45 O ATOM 61 CB LYS A 4 13.189 -1.960 20.116 1.00 61.21 C ATOM 62 CG LYS A 4 14.464 -2.813 19.847 1.00 73.52 C ATOM 63 CD LYS A 4 15.060 -2.566 18.429 1.00 43.25 C ATOM 64 CE LYS A 4 16.138 -3.585 18.025 1.00 14.42 C ATOM 65 NZ LYS A 4 17.384 -3.434 18.819 1.00 3.43 N ATOM 0 H LYS A 4 12.320 -3.990 21.409 1.00 43.40 H new ATOM 0 HA LYS A 4 11.068 -1.891 19.810 1.00 24.05 H new ATOM 0 HB2 LYS A 4 13.232 -1.069 19.489 1.00 61.21 H new ATOM 0 HB3 LYS A 4 13.213 -1.622 21.152 1.00 61.21 H new ATOM 0 HG2 LYS A 4 15.218 -2.581 20.600 1.00 73.52 H new ATOM 0 HG3 LYS A 4 14.220 -3.870 19.956 1.00 73.52 H new ATOM 0 HD2 LYS A 4 14.254 -2.594 17.696 1.00 43.25 H new ATOM 0 HD3 LYS A 4 15.488 -1.564 18.394 1.00 43.25 H new ATOM 0 HE2 LYS A 4 15.747 -4.594 18.155 1.00 14.42 H new ATOM 0 HE3 LYS A 4 16.368 -3.466 16.966 1.00 14.42 H new ATOM 0 HZ1 LYS A 4 18.080 -4.142 18.510 1.00 3.43 H new ATOM 0 HZ2 LYS A 4 17.773 -2.480 18.676 1.00 3.43 H new ATOM 0 HZ3 LYS A 4 17.172 -3.573 19.828 1.00 3.43 H new ATOM 79 N LEU A 5 11.986 -4.793 18.601 1.00 70.01 N ATOM 80 CA LEU A 5 11.827 -5.678 17.425 1.00 12.02 C ATOM 81 C LEU A 5 10.438 -5.462 16.801 1.00 45.34 C ATOM 82 O LEU A 5 10.298 -5.369 15.571 1.00 52.13 O ATOM 83 CB LEU A 5 11.978 -7.164 17.816 1.00 21.11 C ATOM 84 CG LEU A 5 11.954 -8.162 16.622 1.00 43.20 C ATOM 85 CD1 LEU A 5 13.229 -8.019 15.775 1.00 41.34 C ATOM 86 CD2 LEU A 5 11.739 -9.610 17.092 1.00 54.12 C ATOM 0 H LEU A 5 12.243 -5.286 19.456 1.00 70.01 H new ATOM 0 HA LEU A 5 12.608 -5.427 16.707 1.00 12.02 H new ATOM 0 HB2 LEU A 5 12.917 -7.289 18.356 1.00 21.11 H new ATOM 0 HB3 LEU A 5 11.176 -7.426 18.506 1.00 21.11 H new ATOM 0 HG LEU A 5 11.102 -7.911 15.991 1.00 43.20 H new ATOM 0 HD11 LEU A 5 13.195 -8.724 14.945 1.00 41.34 H new ATOM 0 HD12 LEU A 5 13.295 -7.003 15.386 1.00 41.34 H new ATOM 0 HD13 LEU A 5 14.102 -8.228 16.393 1.00 41.34 H new ATOM 0 HD21 LEU A 5 11.729 -10.275 16.228 1.00 54.12 H new ATOM 0 HD22 LEU A 5 12.548 -9.899 17.763 1.00 54.12 H new ATOM 0 HD23 LEU A 5 10.788 -9.684 17.619 1.00 54.12 H new ATOM 98 N TYR A 6 9.424 -5.394 17.698 1.00 72.40 N ATOM 99 CA TYR A 6 8.061 -5.018 17.342 1.00 3.31 C ATOM 100 C TYR A 6 8.061 -3.646 16.651 1.00 72.22 C ATOM 101 O TYR A 6 7.592 -3.536 15.530 1.00 43.10 O ATOM 102 CB TYR A 6 7.170 -5.021 18.616 1.00 40.15 C ATOM 103 CG TYR A 6 5.663 -5.181 18.339 1.00 40.32 C ATOM 104 CD1 TYR A 6 5.041 -6.431 18.463 1.00 21.11 C ATOM 105 CD2 TYR A 6 4.877 -4.101 17.935 1.00 73.34 C ATOM 106 CE1 TYR A 6 3.696 -6.592 18.196 1.00 14.43 C ATOM 107 CE2 TYR A 6 3.531 -4.259 17.670 1.00 22.51 C ATOM 108 CZ TYR A 6 2.946 -5.504 17.802 1.00 71.32 C ATOM 109 OH TYR A 6 1.604 -5.659 17.534 1.00 34.52 O ATOM 0 H TYR A 6 9.544 -5.602 18.689 1.00 72.40 H new ATOM 0 HA TYR A 6 7.647 -5.742 16.640 1.00 3.31 H new ATOM 0 HB2 TYR A 6 7.495 -5.831 19.270 1.00 40.15 H new ATOM 0 HB3 TYR A 6 7.330 -4.089 19.159 1.00 40.15 H new ATOM 0 HD1 TYR A 6 5.625 -7.285 18.773 1.00 21.11 H new ATOM 0 HD2 TYR A 6 5.329 -3.126 17.828 1.00 73.34 H new ATOM 0 HE1 TYR A 6 3.234 -7.563 18.295 1.00 14.43 H new ATOM 0 HE2 TYR A 6 2.937 -3.412 17.360 1.00 22.51 H new ATOM 0 HH TYR A 6 1.221 -4.796 17.270 1.00 34.52 H new ATOM 119 N GLU A 7 8.676 -2.641 17.318 1.00 22.15 N ATOM 120 CA GLU A 7 8.766 -1.250 16.817 1.00 75.31 C ATOM 121 C GLU A 7 9.364 -1.173 15.398 1.00 71.02 C ATOM 122 O GLU A 7 8.915 -0.370 14.604 1.00 72.13 O ATOM 123 CB GLU A 7 9.639 -0.397 17.780 1.00 3.53 C ATOM 124 CG GLU A 7 9.077 -0.205 19.204 1.00 62.02 C ATOM 125 CD GLU A 7 7.744 0.558 19.249 1.00 1.14 C ATOM 126 OE1 GLU A 7 6.688 -0.063 19.477 1.00 53.44 O ATOM 127 OE2 GLU A 7 7.744 1.788 19.037 1.00 62.32 O ATOM 0 H GLU A 7 9.126 -2.774 18.224 1.00 22.15 H new ATOM 0 HA GLU A 7 7.749 -0.860 16.774 1.00 75.31 H new ATOM 0 HB2 GLU A 7 10.622 -0.862 17.857 1.00 3.53 H new ATOM 0 HB3 GLU A 7 9.786 0.586 17.332 1.00 3.53 H new ATOM 0 HG2 GLU A 7 8.940 -1.183 19.665 1.00 62.02 H new ATOM 0 HG3 GLU A 7 9.812 0.331 19.805 1.00 62.02 H new ATOM 134 N GLN A 8 10.374 -2.025 15.114 1.00 64.24 N ATOM 135 CA GLN A 8 11.134 -1.997 13.841 1.00 41.43 C ATOM 136 C GLN A 8 10.251 -2.348 12.645 1.00 3.54 C ATOM 137 O GLN A 8 9.966 -1.474 11.813 1.00 61.20 O ATOM 138 CB GLN A 8 12.369 -2.944 13.876 1.00 74.31 C ATOM 139 CG GLN A 8 13.392 -2.661 14.995 1.00 63.51 C ATOM 140 CD GLN A 8 13.635 -1.163 15.232 1.00 73.12 C ATOM 141 OE1 GLN A 8 14.517 -0.555 14.627 1.00 15.51 O ATOM 142 NE2 GLN A 8 12.843 -0.565 16.117 1.00 41.12 N ATOM 0 H GLN A 8 10.686 -2.751 15.759 1.00 64.24 H new ATOM 0 HA GLN A 8 11.489 -0.973 13.724 1.00 41.43 H new ATOM 0 HB2 GLN A 8 12.015 -3.970 13.982 1.00 74.31 H new ATOM 0 HB3 GLN A 8 12.881 -2.881 12.916 1.00 74.31 H new ATOM 0 HG2 GLN A 8 13.042 -3.116 15.921 1.00 63.51 H new ATOM 0 HG3 GLN A 8 14.338 -3.140 14.742 1.00 63.51 H new ATOM 0 HE21 GLN A 8 12.122 -1.101 16.600 1.00 41.12 H new ATOM 0 HE22 GLN A 8 12.957 0.430 16.313 1.00 41.12 H new ATOM 151 N ILE A 9 9.830 -3.637 12.559 1.00 61.14 N ATOM 152 CA ILE A 9 8.978 -4.100 11.450 1.00 44.15 C ATOM 153 C ILE A 9 7.653 -3.313 11.400 1.00 23.04 C ATOM 154 O ILE A 9 7.201 -2.976 10.318 1.00 61.31 O ATOM 155 CB ILE A 9 8.618 -5.626 11.520 1.00 30.33 C ATOM 156 CG1 ILE A 9 9.844 -6.511 11.855 1.00 22.44 C ATOM 157 CG2 ILE A 9 7.982 -6.087 10.174 1.00 35.03 C ATOM 158 CD1 ILE A 9 9.472 -7.971 12.019 1.00 1.35 C ATOM 0 H ILE A 9 10.067 -4.360 13.238 1.00 61.14 H new ATOM 0 HA ILE A 9 9.575 -3.927 10.555 1.00 44.15 H new ATOM 0 HB ILE A 9 7.900 -5.749 12.331 1.00 30.33 H new ATOM 0 HG12 ILE A 9 10.586 -6.414 11.063 1.00 22.44 H new ATOM 0 HG13 ILE A 9 10.309 -6.151 12.773 1.00 22.44 H new ATOM 0 HG21 ILE A 9 7.736 -7.147 10.232 1.00 35.03 H new ATOM 0 HG22 ILE A 9 7.075 -5.513 9.985 1.00 35.03 H new ATOM 0 HG23 ILE A 9 8.690 -5.923 9.362 1.00 35.03 H new ATOM 0 HD11 ILE A 9 10.365 -8.550 12.253 1.00 1.35 H new ATOM 0 HD12 ILE A 9 8.750 -8.074 12.829 1.00 1.35 H new ATOM 0 HD13 ILE A 9 9.032 -8.341 11.093 1.00 1.35 H new ATOM 170 N LEU A 10 7.050 -3.046 12.580 1.00 64.42 N ATOM 171 CA LEU A 10 5.734 -2.368 12.688 1.00 73.33 C ATOM 172 C LEU A 10 5.825 -0.901 12.225 1.00 21.32 C ATOM 173 O LEU A 10 4.857 -0.383 11.691 1.00 31.34 O ATOM 174 CB LEU A 10 5.161 -2.486 14.143 1.00 52.13 C ATOM 175 CG LEU A 10 3.605 -2.356 14.359 1.00 41.31 C ATOM 176 CD1 LEU A 10 3.071 -0.912 14.234 1.00 51.11 C ATOM 177 CD2 LEU A 10 2.843 -3.318 13.422 1.00 13.40 C ATOM 0 H LEU A 10 7.458 -3.292 13.482 1.00 64.42 H new ATOM 0 HA LEU A 10 5.036 -2.873 12.021 1.00 73.33 H new ATOM 0 HB2 LEU A 10 5.470 -3.452 14.542 1.00 52.13 H new ATOM 0 HB3 LEU A 10 5.644 -1.721 14.751 1.00 52.13 H new ATOM 0 HG LEU A 10 3.419 -2.644 15.394 1.00 41.31 H new ATOM 0 HD11 LEU A 10 1.993 -0.907 14.396 1.00 51.11 H new ATOM 0 HD12 LEU A 10 3.553 -0.280 14.980 1.00 51.11 H new ATOM 0 HD13 LEU A 10 3.290 -0.528 13.238 1.00 51.11 H new ATOM 0 HD21 LEU A 10 1.771 -3.213 13.587 1.00 13.40 H new ATOM 0 HD22 LEU A 10 3.076 -3.077 12.385 1.00 13.40 H new ATOM 0 HD23 LEU A 10 3.143 -4.345 13.632 1.00 13.40 H new ATOM 189 N ALA A 11 6.990 -0.242 12.422 1.00 52.10 N ATOM 190 CA ALA A 11 7.216 1.133 11.915 1.00 64.44 C ATOM 191 C ALA A 11 7.180 1.143 10.375 1.00 74.02 C ATOM 192 O ALA A 11 6.534 2.008 9.767 1.00 53.32 O ATOM 193 CB ALA A 11 8.548 1.706 12.428 1.00 64.23 C ATOM 0 H ALA A 11 7.784 -0.637 12.925 1.00 52.10 H new ATOM 0 HA ALA A 11 6.415 1.769 12.291 1.00 64.44 H new ATOM 0 HB1 ALA A 11 8.684 2.715 12.039 1.00 64.23 H new ATOM 0 HB2 ALA A 11 8.536 1.736 13.518 1.00 64.23 H new ATOM 0 HB3 ALA A 11 9.370 1.073 12.092 1.00 64.23 H new ATOM 199 N GLU A 12 7.872 0.157 9.760 1.00 73.00 N ATOM 200 CA GLU A 12 7.874 -0.019 8.297 1.00 42.30 C ATOM 201 C GLU A 12 6.474 -0.424 7.804 1.00 31.12 C ATOM 202 O GLU A 12 5.996 0.099 6.820 1.00 2.21 O ATOM 203 CB GLU A 12 8.918 -1.083 7.854 1.00 72.42 C ATOM 204 CG GLU A 12 9.166 -1.122 6.320 1.00 75.41 C ATOM 205 CD GLU A 12 10.070 0.024 5.810 1.00 5.23 C ATOM 206 OE1 GLU A 12 11.232 -0.240 5.440 1.00 65.10 O ATOM 207 OE2 GLU A 12 9.632 1.195 5.801 1.00 3.32 O ATOM 0 H GLU A 12 8.437 -0.529 10.260 1.00 73.00 H new ATOM 0 HA GLU A 12 8.151 0.936 7.850 1.00 42.30 H new ATOM 0 HB2 GLU A 12 9.863 -0.883 8.360 1.00 72.42 H new ATOM 0 HB3 GLU A 12 8.582 -2.066 8.183 1.00 72.42 H new ATOM 0 HG2 GLU A 12 9.622 -2.077 6.058 1.00 75.41 H new ATOM 0 HG3 GLU A 12 8.207 -1.074 5.804 1.00 75.41 H new ATOM 214 N ASN A 13 5.832 -1.327 8.562 1.00 11.41 N ATOM 215 CA ASN A 13 4.514 -1.926 8.251 1.00 24.33 C ATOM 216 C ASN A 13 3.417 -0.845 8.258 1.00 33.31 C ATOM 217 O ASN A 13 2.558 -0.818 7.382 1.00 10.22 O ATOM 218 CB ASN A 13 4.205 -3.031 9.305 1.00 2.33 C ATOM 219 CG ASN A 13 2.869 -3.747 9.106 1.00 54.11 C ATOM 220 OD1 ASN A 13 1.823 -3.267 9.544 1.00 43.21 O ATOM 221 ND2 ASN A 13 2.895 -4.920 8.480 1.00 51.20 N ATOM 0 H ASN A 13 6.224 -1.675 9.437 1.00 11.41 H new ATOM 0 HA ASN A 13 4.537 -2.370 7.256 1.00 24.33 H new ATOM 0 HB2 ASN A 13 5.005 -3.771 9.281 1.00 2.33 H new ATOM 0 HB3 ASN A 13 4.216 -2.581 10.298 1.00 2.33 H new ATOM 0 HD21 ASN A 13 2.032 -5.449 8.351 1.00 51.20 H new ATOM 0 HD22 ASN A 13 3.778 -5.291 8.128 1.00 51.20 H new ATOM 228 N GLU A 14 3.502 0.046 9.260 1.00 2.01 N ATOM 229 CA GLU A 14 2.622 1.213 9.423 1.00 74.03 C ATOM 230 C GLU A 14 2.765 2.137 8.215 1.00 5.04 C ATOM 231 O GLU A 14 1.763 2.557 7.617 1.00 54.25 O ATOM 232 CB GLU A 14 2.950 1.961 10.760 1.00 55.42 C ATOM 233 CG GLU A 14 2.696 3.488 10.731 1.00 35.35 C ATOM 234 CD GLU A 14 2.682 4.137 12.125 1.00 53.44 C ATOM 235 OE1 GLU A 14 3.707 4.710 12.542 1.00 34.23 O ATOM 236 OE2 GLU A 14 1.640 4.065 12.812 1.00 20.43 O ATOM 0 H GLU A 14 4.203 -0.028 9.997 1.00 2.01 H new ATOM 0 HA GLU A 14 1.585 0.881 9.479 1.00 74.03 H new ATOM 0 HB2 GLU A 14 2.353 1.523 11.560 1.00 55.42 H new ATOM 0 HB3 GLU A 14 3.996 1.786 11.010 1.00 55.42 H new ATOM 0 HG2 GLU A 14 3.467 3.965 10.125 1.00 35.35 H new ATOM 0 HG3 GLU A 14 1.742 3.680 10.241 1.00 35.35 H new ATOM 243 N LYS A 15 4.029 2.437 7.881 1.00 72.03 N ATOM 244 CA LYS A 15 4.375 3.256 6.726 1.00 62.12 C ATOM 245 C LYS A 15 3.780 2.639 5.447 1.00 2.51 C ATOM 246 O LYS A 15 3.198 3.345 4.644 1.00 63.13 O ATOM 247 CB LYS A 15 5.913 3.378 6.570 1.00 64.14 C ATOM 248 CG LYS A 15 6.369 4.379 5.466 1.00 21.13 C ATOM 249 CD LYS A 15 7.677 3.967 4.754 1.00 21.43 C ATOM 250 CE LYS A 15 7.485 2.728 3.855 1.00 41.11 C ATOM 251 NZ LYS A 15 8.762 2.314 3.216 1.00 30.24 N ATOM 0 H LYS A 15 4.838 2.114 8.411 1.00 72.03 H new ATOM 0 HA LYS A 15 3.960 4.252 6.882 1.00 62.12 H new ATOM 0 HB2 LYS A 15 6.340 3.688 7.524 1.00 64.14 H new ATOM 0 HB3 LYS A 15 6.322 2.394 6.343 1.00 64.14 H new ATOM 0 HG2 LYS A 15 5.576 4.473 4.724 1.00 21.13 H new ATOM 0 HG3 LYS A 15 6.505 5.363 5.914 1.00 21.13 H new ATOM 0 HD2 LYS A 15 8.038 4.800 4.150 1.00 21.43 H new ATOM 0 HD3 LYS A 15 8.444 3.758 5.499 1.00 21.43 H new ATOM 0 HE2 LYS A 15 7.091 1.904 4.449 1.00 41.11 H new ATOM 0 HE3 LYS A 15 6.746 2.948 3.084 1.00 41.11 H new ATOM 0 HZ1 LYS A 15 8.561 1.668 2.426 1.00 30.24 H new ATOM 0 HZ2 LYS A 15 9.260 3.154 2.859 1.00 30.24 H new ATOM 0 HZ3 LYS A 15 9.359 1.829 3.916 1.00 30.24 H new ATOM 265 N LEU A 16 3.901 1.293 5.325 1.00 50.44 N ATOM 266 CA LEU A 16 3.447 0.526 4.148 1.00 61.13 C ATOM 267 C LEU A 16 1.915 0.586 3.995 1.00 32.51 C ATOM 268 O LEU A 16 1.401 0.518 2.878 1.00 4.14 O ATOM 269 CB LEU A 16 3.947 -0.944 4.197 1.00 71.12 C ATOM 270 CG LEU A 16 5.488 -1.151 4.043 1.00 45.44 C ATOM 271 CD1 LEU A 16 5.884 -2.630 4.226 1.00 4.15 C ATOM 272 CD2 LEU A 16 6.003 -0.604 2.700 1.00 4.25 C ATOM 0 H LEU A 16 4.320 0.709 6.049 1.00 50.44 H new ATOM 0 HA LEU A 16 3.887 0.994 3.268 1.00 61.13 H new ATOM 0 HB2 LEU A 16 3.635 -1.381 5.146 1.00 71.12 H new ATOM 0 HB3 LEU A 16 3.445 -1.504 3.408 1.00 71.12 H new ATOM 0 HG LEU A 16 5.967 -0.579 4.838 1.00 45.44 H new ATOM 0 HD11 LEU A 16 6.963 -2.735 4.112 1.00 4.15 H new ATOM 0 HD12 LEU A 16 5.590 -2.965 5.221 1.00 4.15 H new ATOM 0 HD13 LEU A 16 5.379 -3.237 3.475 1.00 4.15 H new ATOM 0 HD21 LEU A 16 7.079 -0.766 2.630 1.00 4.25 H new ATOM 0 HD22 LEU A 16 5.504 -1.121 1.881 1.00 4.25 H new ATOM 0 HD23 LEU A 16 5.792 0.464 2.637 1.00 4.25 H new ATOM 284 N LYS A 17 1.202 0.722 5.125 1.00 33.44 N ATOM 285 CA LYS A 17 -0.256 0.913 5.129 1.00 72.00 C ATOM 286 C LYS A 17 -0.628 2.339 4.682 1.00 22.23 C ATOM 287 O LYS A 17 -1.641 2.535 4.007 1.00 42.20 O ATOM 288 CB LYS A 17 -0.854 0.609 6.520 1.00 75.13 C ATOM 289 CG LYS A 17 -0.682 -0.857 6.996 1.00 63.23 C ATOM 290 CD LYS A 17 -1.353 -1.112 8.368 1.00 53.23 C ATOM 291 CE LYS A 17 -0.825 -0.172 9.465 1.00 34.02 C ATOM 292 NZ LYS A 17 -1.555 -0.335 10.743 1.00 61.04 N ATOM 0 H LYS A 17 1.618 0.703 6.056 1.00 33.44 H new ATOM 0 HA LYS A 17 -0.682 0.209 4.415 1.00 72.00 H new ATOM 0 HB2 LYS A 17 -0.390 1.270 7.252 1.00 75.13 H new ATOM 0 HB3 LYS A 17 -1.917 0.848 6.503 1.00 75.13 H new ATOM 0 HG2 LYS A 17 -1.111 -1.530 6.254 1.00 63.23 H new ATOM 0 HG3 LYS A 17 0.380 -1.092 7.064 1.00 63.23 H new ATOM 0 HD2 LYS A 17 -2.431 -0.983 8.271 1.00 53.23 H new ATOM 0 HD3 LYS A 17 -1.181 -2.146 8.666 1.00 53.23 H new ATOM 0 HE2 LYS A 17 0.235 -0.366 9.627 1.00 34.02 H new ATOM 0 HE3 LYS A 17 -0.912 0.861 9.128 1.00 34.02 H new ATOM 0 HZ1 LYS A 17 -1.165 0.318 11.452 1.00 61.04 H new ATOM 0 HZ2 LYS A 17 -2.563 -0.125 10.596 1.00 61.04 H new ATOM 0 HZ3 LYS A 17 -1.451 -1.313 11.080 1.00 61.04 H new ATOM 306 N ALA A 18 0.215 3.326 5.055 1.00 53.03 N ATOM 307 CA ALA A 18 -0.023 4.748 4.743 1.00 22.14 C ATOM 308 C ALA A 18 0.175 5.014 3.237 1.00 2.34 C ATOM 309 O ALA A 18 -0.687 5.596 2.583 1.00 2.33 O ATOM 310 CB ALA A 18 0.905 5.640 5.592 1.00 51.43 C ATOM 0 H ALA A 18 1.075 3.159 5.578 1.00 53.03 H new ATOM 0 HA ALA A 18 -1.055 4.995 4.991 1.00 22.14 H new ATOM 0 HB1 ALA A 18 0.721 6.688 5.354 1.00 51.43 H new ATOM 0 HB2 ALA A 18 0.707 5.468 6.650 1.00 51.43 H new ATOM 0 HB3 ALA A 18 1.945 5.396 5.373 1.00 51.43 H new ATOM 316 N GLN A 19 1.312 4.535 2.699 1.00 32.04 N ATOM 317 CA GLN A 19 1.676 4.705 1.281 1.00 4.52 C ATOM 318 C GLN A 19 0.787 3.866 0.350 1.00 21.32 C ATOM 319 O GLN A 19 0.529 4.289 -0.780 1.00 30.52 O ATOM 320 CB GLN A 19 3.177 4.369 1.075 1.00 4.11 C ATOM 321 CG GLN A 19 3.627 3.003 1.651 1.00 65.51 C ATOM 322 CD GLN A 19 3.844 1.883 0.636 1.00 51.32 C ATOM 323 OE1 GLN A 19 4.918 1.777 0.047 1.00 42.54 O ATOM 324 NE2 GLN A 19 2.869 0.991 0.497 1.00 24.02 N ATOM 0 H GLN A 19 2.006 4.017 3.238 1.00 32.04 H new ATOM 0 HA GLN A 19 1.508 5.749 1.015 1.00 4.52 H new ATOM 0 HB2 GLN A 19 3.394 4.385 0.007 1.00 4.11 H new ATOM 0 HB3 GLN A 19 3.776 5.155 1.534 1.00 4.11 H new ATOM 0 HG2 GLN A 19 4.556 3.152 2.201 1.00 65.51 H new ATOM 0 HG3 GLN A 19 2.880 2.672 2.372 1.00 65.51 H new ATOM 0 HE21 GLN A 19 1.991 1.112 1.002 1.00 24.02 H new ATOM 0 HE22 GLN A 19 2.998 0.185 -0.115 1.00 24.02 H new ATOM 333 N LEU A 20 0.327 2.670 0.814 1.00 20.44 N ATOM 334 CA LEU A 20 -0.645 1.870 0.030 1.00 45.45 C ATOM 335 C LEU A 20 -1.965 2.633 -0.040 1.00 34.43 C ATOM 336 O LEU A 20 -2.575 2.696 -1.092 1.00 74.05 O ATOM 337 CB LEU A 20 -0.844 0.403 0.580 1.00 22.40 C ATOM 338 CG LEU A 20 -1.960 0.087 1.676 1.00 41.31 C ATOM 339 CD1 LEU A 20 -3.379 -0.108 1.075 1.00 61.21 C ATOM 340 CD2 LEU A 20 -1.597 -1.155 2.511 1.00 24.44 C ATOM 0 H LEU A 20 0.606 2.252 1.701 1.00 20.44 H new ATOM 0 HA LEU A 20 -0.240 1.737 -0.973 1.00 45.45 H new ATOM 0 HB2 LEU A 20 -1.048 -0.236 -0.279 1.00 22.40 H new ATOM 0 HB3 LEU A 20 0.112 0.084 0.995 1.00 22.40 H new ATOM 0 HG LEU A 20 -1.986 0.970 2.315 1.00 41.31 H new ATOM 0 HD11 LEU A 20 -4.087 -0.320 1.876 1.00 61.21 H new ATOM 0 HD12 LEU A 20 -3.681 0.800 0.554 1.00 61.21 H new ATOM 0 HD13 LEU A 20 -3.365 -0.942 0.373 1.00 61.21 H new ATOM 0 HD21 LEU A 20 -2.379 -1.340 3.247 1.00 24.44 H new ATOM 0 HD22 LEU A 20 -1.504 -2.020 1.855 1.00 24.44 H new ATOM 0 HD23 LEU A 20 -0.650 -0.985 3.023 1.00 24.44 H new ATOM 352 N HIS A 21 -2.355 3.243 1.099 1.00 24.35 N ATOM 353 CA HIS A 21 -3.608 4.005 1.236 1.00 35.41 C ATOM 354 C HIS A 21 -3.629 5.181 0.244 1.00 5.22 C ATOM 355 O HIS A 21 -4.672 5.495 -0.330 1.00 34.02 O ATOM 356 CB HIS A 21 -3.765 4.493 2.699 1.00 43.35 C ATOM 357 CG HIS A 21 -5.060 5.186 3.019 1.00 72.10 C ATOM 358 ND1 HIS A 21 -5.119 6.408 3.647 1.00 11.30 N ATOM 359 CD2 HIS A 21 -6.345 4.813 2.821 1.00 52.12 C ATOM 360 CE1 HIS A 21 -6.371 6.744 3.832 1.00 54.52 C ATOM 361 NE2 HIS A 21 -7.137 5.797 3.338 1.00 44.44 N ATOM 0 H HIS A 21 -1.802 3.218 1.956 1.00 24.35 H new ATOM 0 HA HIS A 21 -4.454 3.359 0.999 1.00 35.41 H new ATOM 0 HB2 HIS A 21 -3.660 3.634 3.362 1.00 43.35 H new ATOM 0 HB3 HIS A 21 -2.944 5.173 2.926 1.00 43.35 H new ATOM 0 HD2 HIS A 21 -6.682 3.905 2.343 1.00 52.12 H new ATOM 0 HE1 HIS A 21 -6.717 7.648 4.311 1.00 54.52 H new ATOM 0 HE2 HIS A 21 -8.157 5.797 3.341 1.00 44.44 H new ATOM 370 N ASP A 22 -2.441 5.789 0.031 1.00 43.12 N ATOM 371 CA ASP A 22 -2.251 6.874 -0.949 1.00 43.10 C ATOM 372 C ASP A 22 -2.321 6.352 -2.384 1.00 31.22 C ATOM 373 O ASP A 22 -2.989 6.955 -3.221 1.00 35.31 O ATOM 374 CB ASP A 22 -0.912 7.610 -0.718 1.00 75.42 C ATOM 375 CG ASP A 22 -0.862 8.325 0.640 1.00 13.13 C ATOM 376 OD1 ASP A 22 -1.812 9.069 0.962 1.00 23.21 O ATOM 377 OD2 ASP A 22 0.121 8.157 1.382 1.00 51.24 O ATOM 0 H ASP A 22 -1.590 5.540 0.534 1.00 43.12 H new ATOM 0 HA ASP A 22 -3.066 7.582 -0.802 1.00 43.10 H new ATOM 0 HB2 ASP A 22 -0.092 6.894 -0.779 1.00 75.42 H new ATOM 0 HB3 ASP A 22 -0.759 8.338 -1.514 1.00 75.42 H new ATOM 382 N THR A 23 -1.636 5.223 -2.655 1.00 21.14 N ATOM 383 CA THR A 23 -1.607 4.638 -4.006 1.00 63.45 C ATOM 384 C THR A 23 -2.994 4.091 -4.410 1.00 73.01 C ATOM 385 O THR A 23 -3.349 4.108 -5.580 1.00 32.13 O ATOM 386 CB THR A 23 -0.522 3.518 -4.138 1.00 61.42 C ATOM 387 OG1 THR A 23 0.716 3.984 -3.586 1.00 12.12 O ATOM 388 CG2 THR A 23 -0.290 3.121 -5.612 1.00 51.04 C ATOM 0 H THR A 23 -1.100 4.703 -1.960 1.00 21.14 H new ATOM 0 HA THR A 23 -1.339 5.443 -4.690 1.00 63.45 H new ATOM 0 HB THR A 23 -0.880 2.643 -3.596 1.00 61.42 H new ATOM 0 HG1 THR A 23 0.640 4.037 -2.610 1.00 12.12 H new ATOM 0 HG21 THR A 23 0.470 2.341 -5.664 1.00 51.04 H new ATOM 0 HG22 THR A 23 -1.221 2.749 -6.040 1.00 51.04 H new ATOM 0 HG23 THR A 23 0.045 3.992 -6.175 1.00 51.04 H new ATOM 396 N ASN A 24 -3.780 3.650 -3.406 1.00 12.40 N ATOM 397 CA ASN A 24 -5.136 3.109 -3.604 1.00 10.44 C ATOM 398 C ASN A 24 -6.115 4.260 -3.890 1.00 73.01 C ATOM 399 O ASN A 24 -6.928 4.166 -4.821 1.00 54.13 O ATOM 400 CB ASN A 24 -5.621 2.300 -2.353 1.00 32.55 C ATOM 401 CG ASN A 24 -5.015 0.893 -2.175 1.00 51.13 C ATOM 402 OD1 ASN A 24 -3.747 0.700 -2.494 1.00 0.20 O flip ATOM 403 ND2 ASN A 24 -5.696 -0.020 -1.705 1.00 53.14 N flip ATOM 0 H ASN A 24 -3.487 3.660 -2.429 1.00 12.40 H new ATOM 0 HA ASN A 24 -5.107 2.427 -4.454 1.00 10.44 H new ATOM 0 HB2 ASN A 24 -5.399 2.884 -1.460 1.00 32.55 H new ATOM 0 HB3 ASN A 24 -6.705 2.202 -2.408 1.00 32.55 H new ATOM 0 HD21 ASN A 24 -6.673 0.145 -1.464 1.00 53.14 H new ATOM 0 HD22 ASN A 24 -5.282 -0.941 -1.557 1.00 53.14 H new ATOM 410 N MET A 25 -6.014 5.353 -3.094 1.00 44.14 N ATOM 411 CA MET A 25 -6.951 6.484 -3.193 1.00 14.14 C ATOM 412 C MET A 25 -6.738 7.237 -4.514 1.00 11.10 C ATOM 413 O MET A 25 -7.706 7.684 -5.135 1.00 52.32 O ATOM 414 CB MET A 25 -6.834 7.468 -1.983 1.00 14.53 C ATOM 415 CG MET A 25 -5.552 8.320 -1.944 1.00 50.42 C ATOM 416 SD MET A 25 -5.541 9.580 -0.645 1.00 31.44 S ATOM 417 CE MET A 25 -5.374 8.588 0.839 1.00 25.31 C ATOM 0 H MET A 25 -5.294 5.469 -2.381 1.00 44.14 H new ATOM 0 HA MET A 25 -7.958 6.068 -3.170 1.00 14.14 H new ATOM 0 HB2 MET A 25 -7.694 8.137 -1.997 1.00 14.53 H new ATOM 0 HB3 MET A 25 -6.894 6.891 -1.060 1.00 14.53 H new ATOM 0 HG2 MET A 25 -4.695 7.661 -1.803 1.00 50.42 H new ATOM 0 HG3 MET A 25 -5.424 8.808 -2.910 1.00 50.42 H new ATOM 0 HE1 MET A 25 -5.653 9.184 1.708 1.00 25.31 H new ATOM 0 HE2 MET A 25 -6.027 7.718 0.771 1.00 25.31 H new ATOM 0 HE3 MET A 25 -4.340 8.258 0.942 1.00 25.31 H new ATOM 427 N GLU A 26 -5.457 7.344 -4.939 1.00 61.54 N ATOM 428 CA GLU A 26 -5.085 8.058 -6.164 1.00 63.15 C ATOM 429 C GLU A 26 -5.372 7.187 -7.389 1.00 62.04 C ATOM 430 O GLU A 26 -5.645 7.724 -8.430 1.00 74.13 O ATOM 431 CB GLU A 26 -3.595 8.510 -6.144 1.00 72.52 C ATOM 432 CG GLU A 26 -2.559 7.376 -6.366 1.00 11.31 C ATOM 433 CD GLU A 26 -1.082 7.811 -6.285 1.00 22.33 C ATOM 434 OE1 GLU A 26 -0.790 9.018 -6.362 1.00 32.31 O ATOM 435 OE2 GLU A 26 -0.202 6.932 -6.177 1.00 14.24 O ATOM 0 H GLU A 26 -4.665 6.938 -4.441 1.00 61.54 H new ATOM 0 HA GLU A 26 -5.693 8.961 -6.221 1.00 63.15 H new ATOM 0 HB2 GLU A 26 -3.451 9.268 -6.914 1.00 72.52 H new ATOM 0 HB3 GLU A 26 -3.389 8.986 -5.185 1.00 72.52 H new ATOM 0 HG2 GLU A 26 -2.733 6.597 -5.624 1.00 11.31 H new ATOM 0 HG3 GLU A 26 -2.737 6.930 -7.345 1.00 11.31 H new ATOM 442 N LEU A 27 -5.268 5.838 -7.244 1.00 74.23 N ATOM 443 CA LEU A 27 -5.680 4.865 -8.283 1.00 42.44 C ATOM 444 C LEU A 27 -7.185 4.996 -8.608 1.00 1.42 C ATOM 445 O LEU A 27 -7.568 5.055 -9.782 1.00 22.53 O ATOM 446 CB LEU A 27 -5.352 3.429 -7.791 1.00 70.15 C ATOM 447 CG LEU A 27 -5.832 2.230 -8.664 1.00 0.21 C ATOM 448 CD1 LEU A 27 -5.264 2.292 -10.096 1.00 2.34 C ATOM 449 CD2 LEU A 27 -5.493 0.885 -7.977 1.00 53.13 C ATOM 0 H LEU A 27 -4.896 5.399 -6.402 1.00 74.23 H new ATOM 0 HA LEU A 27 -5.129 5.073 -9.200 1.00 42.44 H new ATOM 0 HB2 LEU A 27 -4.270 3.352 -7.683 1.00 70.15 H new ATOM 0 HB3 LEU A 27 -5.781 3.311 -6.796 1.00 70.15 H new ATOM 0 HG LEU A 27 -6.916 2.302 -8.755 1.00 0.21 H new ATOM 0 HD11 LEU A 27 -5.625 1.437 -10.668 1.00 2.34 H new ATOM 0 HD12 LEU A 27 -5.590 3.214 -10.577 1.00 2.34 H new ATOM 0 HD13 LEU A 27 -4.175 2.269 -10.057 1.00 2.34 H new ATOM 0 HD21 LEU A 27 -5.836 0.061 -8.602 1.00 53.13 H new ATOM 0 HD22 LEU A 27 -4.415 0.810 -7.837 1.00 53.13 H new ATOM 0 HD23 LEU A 27 -5.989 0.836 -7.008 1.00 53.13 H new ATOM 461 N THR A 28 -8.019 5.034 -7.549 1.00 0.51 N ATOM 462 CA THR A 28 -9.483 5.175 -7.673 1.00 30.24 C ATOM 463 C THR A 28 -9.848 6.554 -8.266 1.00 11.45 C ATOM 464 O THR A 28 -10.723 6.662 -9.133 1.00 32.33 O ATOM 465 CB THR A 28 -10.173 4.994 -6.278 1.00 51.32 C ATOM 466 OG1 THR A 28 -9.758 3.750 -5.691 1.00 73.11 O ATOM 467 CG2 THR A 28 -11.715 5.029 -6.364 1.00 53.23 C ATOM 0 H THR A 28 -7.696 4.968 -6.584 1.00 0.51 H new ATOM 0 HA THR A 28 -9.843 4.397 -8.347 1.00 30.24 H new ATOM 0 HB THR A 28 -9.862 5.834 -5.657 1.00 51.32 H new ATOM 0 HG1 THR A 28 -8.830 3.826 -5.386 1.00 73.11 H new ATOM 0 HG21 THR A 28 -12.138 4.899 -5.368 1.00 53.23 H new ATOM 0 HG22 THR A 28 -12.035 5.988 -6.772 1.00 53.23 H new ATOM 0 HG23 THR A 28 -12.062 4.225 -7.013 1.00 53.23 H new ATOM 475 N ASP A 29 -9.129 7.594 -7.797 1.00 62.11 N ATOM 476 CA ASP A 29 -9.306 8.988 -8.249 1.00 72.31 C ATOM 477 C ASP A 29 -8.815 9.158 -9.700 1.00 13.55 C ATOM 478 O ASP A 29 -9.392 9.936 -10.466 1.00 71.35 O ATOM 479 CB ASP A 29 -8.543 9.955 -7.298 1.00 71.34 C ATOM 480 CG ASP A 29 -8.741 11.440 -7.664 1.00 12.41 C ATOM 481 OD1 ASP A 29 -9.762 12.028 -7.248 1.00 24.41 O ATOM 482 OD2 ASP A 29 -7.894 12.022 -8.373 1.00 54.21 O ATOM 0 H ASP A 29 -8.403 7.488 -7.088 1.00 62.11 H new ATOM 0 HA ASP A 29 -10.368 9.231 -8.221 1.00 72.31 H new ATOM 0 HB2 ASP A 29 -8.880 9.791 -6.275 1.00 71.34 H new ATOM 0 HB3 ASP A 29 -7.479 9.718 -7.325 1.00 71.34 H new ATOM 487 N LEU A 30 -7.765 8.393 -10.058 1.00 12.21 N ATOM 488 CA LEU A 30 -7.160 8.409 -11.401 1.00 75.01 C ATOM 489 C LEU A 30 -8.165 7.831 -12.401 1.00 74.20 C ATOM 490 O LEU A 30 -8.355 8.378 -13.479 1.00 41.32 O ATOM 491 CB LEU A 30 -5.832 7.576 -11.419 1.00 22.04 C ATOM 492 CG LEU A 30 -4.775 7.960 -12.499 1.00 71.11 C ATOM 493 CD1 LEU A 30 -4.238 9.376 -12.259 1.00 1.12 C ATOM 494 CD2 LEU A 30 -3.615 6.944 -12.538 1.00 22.34 C ATOM 0 H LEU A 30 -7.311 7.742 -9.417 1.00 12.21 H new ATOM 0 HA LEU A 30 -6.915 9.435 -11.677 1.00 75.01 H new ATOM 0 HB2 LEU A 30 -5.363 7.663 -10.439 1.00 22.04 H new ATOM 0 HB3 LEU A 30 -6.091 6.526 -11.556 1.00 22.04 H new ATOM 0 HG LEU A 30 -5.274 7.938 -13.468 1.00 71.11 H new ATOM 0 HD11 LEU A 30 -3.502 9.621 -13.025 1.00 1.12 H new ATOM 0 HD12 LEU A 30 -5.061 10.090 -12.305 1.00 1.12 H new ATOM 0 HD13 LEU A 30 -3.769 9.425 -11.276 1.00 1.12 H new ATOM 0 HD21 LEU A 30 -2.896 7.242 -13.301 1.00 22.34 H new ATOM 0 HD22 LEU A 30 -3.122 6.917 -11.566 1.00 22.34 H new ATOM 0 HD23 LEU A 30 -4.006 5.954 -12.774 1.00 22.34 H new ATOM 506 N LYS A 31 -8.813 6.723 -11.979 1.00 21.40 N ATOM 507 CA LYS A 31 -9.818 5.983 -12.769 1.00 2.20 C ATOM 508 C LYS A 31 -11.116 6.815 -12.890 1.00 52.03 C ATOM 509 O LYS A 31 -11.823 6.743 -13.908 1.00 51.21 O ATOM 510 CB LYS A 31 -10.027 4.554 -12.111 1.00 53.43 C ATOM 511 CG LYS A 31 -11.409 4.241 -11.462 1.00 10.21 C ATOM 512 CD LYS A 31 -12.448 3.694 -12.480 1.00 14.31 C ATOM 513 CE LYS A 31 -13.843 3.512 -11.873 1.00 71.31 C ATOM 514 NZ LYS A 31 -14.804 2.973 -12.873 1.00 44.22 N ATOM 0 H LYS A 31 -8.648 6.311 -11.061 1.00 21.40 H new ATOM 0 HA LYS A 31 -9.477 5.820 -13.791 1.00 2.20 H new ATOM 0 HB2 LYS A 31 -9.841 3.803 -12.879 1.00 53.43 H new ATOM 0 HB3 LYS A 31 -9.262 4.424 -11.346 1.00 53.43 H new ATOM 0 HG2 LYS A 31 -11.272 3.512 -10.663 1.00 10.21 H new ATOM 0 HG3 LYS A 31 -11.802 5.148 -11.002 1.00 10.21 H new ATOM 0 HD2 LYS A 31 -12.513 4.377 -13.327 1.00 14.31 H new ATOM 0 HD3 LYS A 31 -12.099 2.737 -12.868 1.00 14.31 H new ATOM 0 HE2 LYS A 31 -13.785 2.835 -11.020 1.00 71.31 H new ATOM 0 HE3 LYS A 31 -14.205 4.469 -11.497 1.00 71.31 H new ATOM 0 HZ1 LYS A 31 -15.582 2.488 -12.381 1.00 44.22 H new ATOM 0 HZ2 LYS A 31 -15.188 3.754 -13.442 1.00 44.22 H new ATOM 0 HZ3 LYS A 31 -14.315 2.299 -13.496 1.00 44.22 H new ATOM 528 N LEU A 32 -11.381 7.619 -11.847 1.00 53.33 N ATOM 529 CA LEU A 32 -12.572 8.474 -11.756 1.00 23.44 C ATOM 530 C LEU A 32 -12.542 9.534 -12.874 1.00 41.22 C ATOM 531 O LEU A 32 -13.425 9.570 -13.736 1.00 42.11 O ATOM 532 CB LEU A 32 -12.609 9.137 -10.347 1.00 54.33 C ATOM 533 CG LEU A 32 -13.867 9.996 -10.008 1.00 21.01 C ATOM 534 CD1 LEU A 32 -15.157 9.153 -10.052 1.00 4.30 C ATOM 535 CD2 LEU A 32 -13.705 10.703 -8.639 1.00 75.12 C ATOM 0 H LEU A 32 -10.767 7.693 -11.036 1.00 53.33 H new ATOM 0 HA LEU A 32 -13.476 7.879 -11.887 1.00 23.44 H new ATOM 0 HB2 LEU A 32 -12.523 8.349 -9.598 1.00 54.33 H new ATOM 0 HB3 LEU A 32 -11.728 9.770 -10.246 1.00 54.33 H new ATOM 0 HG LEU A 32 -13.956 10.766 -10.774 1.00 21.01 H new ATOM 0 HD11 LEU A 32 -16.012 9.784 -9.811 1.00 4.30 H new ATOM 0 HD12 LEU A 32 -15.285 8.735 -11.051 1.00 4.30 H new ATOM 0 HD13 LEU A 32 -15.087 8.343 -9.326 1.00 4.30 H new ATOM 0 HD21 LEU A 32 -14.596 11.295 -8.427 1.00 75.12 H new ATOM 0 HD22 LEU A 32 -13.572 9.955 -7.857 1.00 75.12 H new ATOM 0 HD23 LEU A 32 -12.833 11.357 -8.668 1.00 75.12 H new ATOM 547 N GLN A 33 -11.483 10.363 -12.878 1.00 71.02 N ATOM 548 CA GLN A 33 -11.312 11.425 -13.888 1.00 34.51 C ATOM 549 C GLN A 33 -10.860 10.852 -15.260 1.00 31.42 C ATOM 550 O GLN A 33 -11.072 11.502 -16.298 1.00 73.04 O ATOM 551 CB GLN A 33 -10.395 12.575 -13.343 1.00 42.31 C ATOM 552 CG GLN A 33 -9.030 12.162 -12.717 1.00 63.02 C ATOM 553 CD GLN A 33 -7.869 12.079 -13.703 1.00 54.20 C ATOM 554 OE1 GLN A 33 -6.880 11.261 -13.404 1.00 41.20 O flip ATOM 555 NE2 GLN A 33 -7.844 12.785 -14.694 1.00 74.24 N flip ATOM 0 H GLN A 33 -10.730 10.318 -12.191 1.00 71.02 H new ATOM 0 HA GLN A 33 -12.284 11.880 -14.079 1.00 34.51 H new ATOM 0 HB2 GLN A 33 -10.195 13.265 -14.163 1.00 42.31 H new ATOM 0 HB3 GLN A 33 -10.958 13.128 -12.591 1.00 42.31 H new ATOM 0 HG2 GLN A 33 -8.774 12.878 -11.936 1.00 63.02 H new ATOM 0 HG3 GLN A 33 -9.147 11.192 -12.234 1.00 63.02 H new ATOM 0 HE21 GLN A 33 -8.626 13.407 -14.897 1.00 74.24 H new ATOM 0 HE22 GLN A 33 -7.041 12.754 -15.322 1.00 74.24 H new ATOM 564 N LEU A 34 -10.298 9.611 -15.257 1.00 22.31 N ATOM 565 CA LEU A 34 -10.011 8.844 -16.497 1.00 44.34 C ATOM 566 C LEU A 34 -11.257 8.774 -17.373 1.00 10.44 C ATOM 567 O LEU A 34 -11.248 9.329 -18.487 1.00 21.22 O ATOM 568 CB LEU A 34 -9.509 7.393 -16.188 1.00 34.22 C ATOM 569 CG LEU A 34 -9.470 6.377 -17.391 1.00 22.43 C ATOM 570 CD1 LEU A 34 -8.546 6.865 -18.512 1.00 44.44 C ATOM 571 CD2 LEU A 34 -9.073 4.957 -16.934 1.00 54.41 C ATOM 0 H LEU A 34 -10.034 9.121 -14.402 1.00 22.31 H new ATOM 0 HA LEU A 34 -9.215 9.370 -17.024 1.00 44.34 H new ATOM 0 HB2 LEU A 34 -8.504 7.464 -15.772 1.00 34.22 H new ATOM 0 HB3 LEU A 34 -10.147 6.973 -15.410 1.00 34.22 H new ATOM 0 HG LEU A 34 -10.483 6.324 -17.789 1.00 22.43 H new ATOM 0 HD11 LEU A 34 -8.545 6.138 -19.325 1.00 44.44 H new ATOM 0 HD12 LEU A 34 -8.902 7.825 -18.885 1.00 44.44 H new ATOM 0 HD13 LEU A 34 -7.533 6.979 -18.125 1.00 44.44 H new ATOM 0 HD21 LEU A 34 -9.058 4.289 -17.795 1.00 54.41 H new ATOM 0 HD22 LEU A 34 -8.083 4.985 -16.479 1.00 54.41 H new ATOM 0 HD23 LEU A 34 -9.797 4.594 -16.205 1.00 54.41 H new ATOM 583 N GLU A 35 -12.320 8.133 -16.820 1.00 72.04 N ATOM 584 CA GLU A 35 -13.589 7.890 -17.529 1.00 62.13 C ATOM 585 C GLU A 35 -14.383 9.199 -17.720 1.00 51.04 C ATOM 586 O GLU A 35 -15.215 9.291 -18.626 1.00 63.32 O ATOM 587 CB GLU A 35 -14.455 6.836 -16.787 1.00 5.15 C ATOM 588 CG GLU A 35 -14.872 7.243 -15.360 1.00 12.20 C ATOM 589 CD GLU A 35 -15.982 6.359 -14.771 1.00 52.32 C ATOM 590 OE1 GLU A 35 -15.685 5.268 -14.277 1.00 23.11 O ATOM 591 OE2 GLU A 35 -17.164 6.761 -14.811 1.00 70.23 O ATOM 0 H GLU A 35 -12.313 7.772 -15.866 1.00 72.04 H new ATOM 0 HA GLU A 35 -13.340 7.495 -18.514 1.00 62.13 H new ATOM 0 HB2 GLU A 35 -15.353 6.644 -17.374 1.00 5.15 H new ATOM 0 HB3 GLU A 35 -13.901 5.899 -16.737 1.00 5.15 H new ATOM 0 HG2 GLU A 35 -13.999 7.199 -14.708 1.00 12.20 H new ATOM 0 HG3 GLU A 35 -15.210 8.279 -15.370 1.00 12.20 H new ATOM 598 N LYS A 36 -14.135 10.205 -16.842 1.00 74.03 N ATOM 599 CA LYS A 36 -14.637 11.586 -17.059 1.00 15.35 C ATOM 600 C LYS A 36 -13.883 12.276 -18.217 1.00 62.11 C ATOM 601 O LYS A 36 -14.214 13.405 -18.589 1.00 20.24 O ATOM 602 CB LYS A 36 -14.524 12.423 -15.762 1.00 74.01 C ATOM 603 CG LYS A 36 -15.437 11.933 -14.619 1.00 3.20 C ATOM 604 CD LYS A 36 -15.312 12.803 -13.346 1.00 21.02 C ATOM 605 CE LYS A 36 -16.266 12.356 -12.232 1.00 21.23 C ATOM 606 NZ LYS A 36 -16.170 13.234 -11.042 1.00 3.41 N ATOM 0 H LYS A 36 -13.595 10.087 -15.985 1.00 74.03 H new ATOM 0 HA LYS A 36 -15.690 11.518 -17.333 1.00 15.35 H new ATOM 0 HB2 LYS A 36 -13.489 12.406 -15.420 1.00 74.01 H new ATOM 0 HB3 LYS A 36 -14.768 13.461 -15.989 1.00 74.01 H new ATOM 0 HG2 LYS A 36 -16.473 11.938 -14.958 1.00 3.20 H new ATOM 0 HG3 LYS A 36 -15.186 10.901 -14.376 1.00 3.20 H new ATOM 0 HD2 LYS A 36 -14.286 12.760 -12.980 1.00 21.02 H new ATOM 0 HD3 LYS A 36 -15.517 13.843 -13.599 1.00 21.02 H new ATOM 0 HE2 LYS A 36 -17.290 12.361 -12.606 1.00 21.23 H new ATOM 0 HE3 LYS A 36 -16.036 11.330 -11.946 1.00 21.23 H new ATOM 0 HZ1 LYS A 36 -16.830 12.900 -10.310 1.00 3.41 H new ATOM 0 HZ2 LYS A 36 -15.199 13.210 -10.670 1.00 3.41 H new ATOM 0 HZ3 LYS A 36 -16.414 14.209 -11.309 1.00 3.41 H new ATOM 620 N ALA A 37 -12.837 11.598 -18.716 1.00 34.24 N ATOM 621 CA ALA A 37 -12.080 11.973 -19.920 1.00 60.13 C ATOM 622 C ALA A 37 -11.065 13.020 -19.527 1.00 64.22 C ATOM 623 O ALA A 37 -11.236 14.211 -19.796 1.00 53.22 O ATOM 624 CB ALA A 37 -12.936 12.358 -21.155 1.00 61.44 C ATOM 0 H ALA A 37 -12.484 10.747 -18.278 1.00 34.24 H new ATOM 0 HA ALA A 37 -11.569 11.083 -20.286 1.00 60.13 H new ATOM 0 HB1 ALA A 37 -12.280 12.617 -21.986 1.00 61.44 H new ATOM 0 HB2 ALA A 37 -13.565 11.515 -21.439 1.00 61.44 H new ATOM 0 HB3 ALA A 37 -13.565 13.214 -20.909 1.00 61.44 H new ATOM 630 N THR A 38 -10.099 12.532 -18.731 1.00 41.13 N ATOM 631 CA THR A 38 -8.942 13.302 -18.178 1.00 0.32 C ATOM 632 C THR A 38 -8.314 14.383 -19.119 1.00 21.31 C ATOM 633 O THR A 38 -8.605 14.469 -20.318 1.00 34.21 O ATOM 634 CB THR A 38 -7.814 12.282 -17.816 1.00 1.40 C ATOM 635 OG1 THR A 38 -6.683 12.931 -17.190 1.00 23.43 O ATOM 636 CG2 THR A 38 -7.338 11.534 -19.064 1.00 11.20 C ATOM 0 H THR A 38 -10.090 11.555 -18.436 1.00 41.13 H new ATOM 0 HA THR A 38 -9.344 13.851 -17.326 1.00 0.32 H new ATOM 0 HB THR A 38 -8.243 11.574 -17.107 1.00 1.40 H new ATOM 0 HG1 THR A 38 -6.073 12.252 -16.834 1.00 23.43 H new ATOM 0 HG21 THR A 38 -6.553 10.830 -18.789 1.00 11.20 H new ATOM 0 HG22 THR A 38 -8.175 10.991 -19.504 1.00 11.20 H new ATOM 0 HG23 THR A 38 -6.947 12.248 -19.789 1.00 11.20 H new ATOM 644 N GLN A 39 -7.414 15.169 -18.531 1.00 42.15 N ATOM 645 CA GLN A 39 -6.527 16.099 -19.257 1.00 71.44 C ATOM 646 C GLN A 39 -5.144 16.125 -18.566 1.00 13.20 C ATOM 647 O GLN A 39 -4.106 16.245 -19.221 1.00 62.00 O ATOM 648 CB GLN A 39 -7.165 17.521 -19.334 1.00 32.11 C ATOM 649 CG GLN A 39 -7.355 18.242 -17.968 1.00 31.11 C ATOM 650 CD GLN A 39 -6.386 19.414 -17.699 1.00 33.40 C ATOM 651 OE1 GLN A 39 -5.176 19.378 -18.252 1.00 5.33 O flip ATOM 652 NE2 GLN A 39 -6.734 20.358 -16.990 1.00 13.10 N flip ATOM 0 H GLN A 39 -7.272 15.184 -17.521 1.00 42.15 H new ATOM 0 HA GLN A 39 -6.394 15.755 -20.283 1.00 71.44 H new ATOM 0 HB2 GLN A 39 -6.541 18.147 -19.972 1.00 32.11 H new ATOM 0 HB3 GLN A 39 -8.137 17.439 -19.821 1.00 32.11 H new ATOM 0 HG2 GLN A 39 -8.377 18.617 -17.913 1.00 31.11 H new ATOM 0 HG3 GLN A 39 -7.242 17.508 -17.170 1.00 31.11 H new ATOM 0 HE21 GLN A 39 -7.666 20.368 -16.575 1.00 13.10 H new ATOM 0 HE22 GLN A 39 -6.091 21.131 -16.818 1.00 13.10 H new ATOM 661 N ARG A 40 -5.175 15.993 -17.223 1.00 42.13 N ATOM 662 CA ARG A 40 -3.999 16.022 -16.341 1.00 63.33 C ATOM 663 C ARG A 40 -4.368 15.343 -15.014 1.00 15.25 C ATOM 664 O ARG A 40 -5.537 15.362 -14.604 1.00 64.13 O ATOM 665 CB ARG A 40 -3.537 17.490 -16.096 1.00 70.44 C ATOM 666 CG ARG A 40 -2.528 17.712 -14.943 1.00 55.44 C ATOM 667 CD ARG A 40 -1.995 19.153 -14.880 1.00 35.15 C ATOM 668 NE ARG A 40 -1.161 19.377 -13.691 1.00 14.43 N ATOM 669 CZ ARG A 40 -1.433 20.250 -12.708 1.00 50.44 C ATOM 670 NH1 ARG A 40 -2.531 21.008 -12.756 1.00 71.12 N ATOM 671 NH2 ARG A 40 -0.605 20.361 -11.692 1.00 60.51 N ATOM 0 H ARG A 40 -6.047 15.860 -16.712 1.00 42.13 H new ATOM 0 HA ARG A 40 -3.172 15.488 -16.810 1.00 63.33 H new ATOM 0 HB2 ARG A 40 -3.091 17.866 -17.017 1.00 70.44 H new ATOM 0 HB3 ARG A 40 -4.420 18.097 -15.898 1.00 70.44 H new ATOM 0 HG2 ARG A 40 -3.008 17.466 -13.996 1.00 55.44 H new ATOM 0 HG3 ARG A 40 -1.690 17.025 -15.064 1.00 55.44 H new ATOM 0 HD2 ARG A 40 -1.413 19.364 -15.777 1.00 35.15 H new ATOM 0 HD3 ARG A 40 -2.833 19.850 -14.872 1.00 35.15 H new ATOM 0 HE ARG A 40 -0.307 18.825 -13.606 1.00 14.43 H new ATOM 0 HH11 ARG A 40 -3.173 20.927 -13.545 1.00 71.12 H new ATOM 0 HH12 ARG A 40 -2.728 21.668 -12.004 1.00 71.12 H new ATOM 0 HH21 ARG A 40 0.237 19.786 -11.655 1.00 60.51 H new ATOM 0 HH22 ARG A 40 -0.805 21.022 -10.941 1.00 60.51 H new ATOM 685 N GLN A 41 -3.364 14.752 -14.365 1.00 33.24 N ATOM 686 CA GLN A 41 -3.504 14.143 -13.041 1.00 73.32 C ATOM 687 C GLN A 41 -2.556 14.847 -12.062 1.00 44.54 C ATOM 688 O GLN A 41 -1.499 15.359 -12.453 1.00 21.22 O ATOM 689 CB GLN A 41 -3.214 12.614 -13.081 1.00 73.21 C ATOM 690 CG GLN A 41 -1.736 12.168 -13.330 1.00 40.02 C ATOM 691 CD GLN A 41 -1.249 12.193 -14.799 1.00 53.23 C ATOM 692 OE1 GLN A 41 -1.642 13.030 -15.613 1.00 44.40 O ATOM 693 NE2 GLN A 41 -0.383 11.246 -15.149 1.00 63.15 N ATOM 0 H GLN A 41 -2.421 14.682 -14.747 1.00 33.24 H new ATOM 0 HA GLN A 41 -4.534 14.266 -12.707 1.00 73.32 H new ATOM 0 HB2 GLN A 41 -3.540 12.184 -12.134 1.00 73.21 H new ATOM 0 HB3 GLN A 41 -3.835 12.174 -13.861 1.00 73.21 H new ATOM 0 HG2 GLN A 41 -1.081 12.811 -12.742 1.00 40.02 H new ATOM 0 HG3 GLN A 41 -1.616 11.155 -12.947 1.00 40.02 H new ATOM 0 HE21 GLN A 41 -0.069 10.562 -14.460 1.00 63.15 H new ATOM 0 HE22 GLN A 41 -0.032 11.204 -16.106 1.00 63.15 H new ATOM 702 N GLU A 42 -2.951 14.866 -10.790 1.00 62.22 N ATOM 703 CA GLU A 42 -2.156 15.432 -9.696 1.00 30.02 C ATOM 704 C GLU A 42 -2.048 14.376 -8.591 1.00 41.42 C ATOM 705 O GLU A 42 -2.936 14.251 -7.738 1.00 74.31 O ATOM 706 CB GLU A 42 -2.787 16.751 -9.162 1.00 13.22 C ATOM 707 CG GLU A 42 -2.782 17.918 -10.171 1.00 12.12 C ATOM 708 CD GLU A 42 -3.303 19.234 -9.571 1.00 63.23 C ATOM 709 OE1 GLU A 42 -2.551 19.894 -8.820 1.00 43.11 O ATOM 710 OE2 GLU A 42 -4.464 19.614 -9.834 1.00 50.41 O ATOM 0 H GLU A 42 -3.845 14.483 -10.484 1.00 62.22 H new ATOM 0 HA GLU A 42 -1.161 15.691 -10.057 1.00 30.02 H new ATOM 0 HB2 GLU A 42 -3.816 16.551 -8.862 1.00 13.22 H new ATOM 0 HB3 GLU A 42 -2.248 17.060 -8.266 1.00 13.22 H new ATOM 0 HG2 GLU A 42 -1.767 18.069 -10.538 1.00 12.12 H new ATOM 0 HG3 GLU A 42 -3.395 17.650 -11.031 1.00 12.12 H new ATOM 717 N ARG A 43 -0.996 13.556 -8.686 1.00 24.23 N ATOM 718 CA ARG A 43 -0.675 12.529 -7.684 1.00 11.12 C ATOM 719 C ARG A 43 0.007 13.189 -6.474 1.00 74.51 C ATOM 720 O ARG A 43 -0.413 13.012 -5.323 1.00 33.34 O ATOM 721 CB ARG A 43 0.243 11.456 -8.321 1.00 62.24 C ATOM 722 CG ARG A 43 -0.410 10.641 -9.466 1.00 22.40 C ATOM 723 CD ARG A 43 0.513 9.518 -9.973 1.00 41.10 C ATOM 724 NE ARG A 43 0.934 8.624 -8.873 1.00 11.43 N ATOM 725 CZ ARG A 43 2.191 8.223 -8.615 1.00 41.52 C ATOM 726 NH1 ARG A 43 3.217 8.610 -9.382 1.00 23.01 N ATOM 727 NH2 ARG A 43 2.414 7.443 -7.569 1.00 63.13 N ATOM 0 H ARG A 43 -0.338 13.585 -9.465 1.00 24.23 H new ATOM 0 HA ARG A 43 -1.589 12.043 -7.342 1.00 11.12 H new ATOM 0 HB2 ARG A 43 1.138 11.945 -8.706 1.00 62.24 H new ATOM 0 HB3 ARG A 43 0.567 10.766 -7.542 1.00 62.24 H new ATOM 0 HG2 ARG A 43 -1.347 10.209 -9.115 1.00 22.40 H new ATOM 0 HG3 ARG A 43 -0.656 11.309 -10.292 1.00 22.40 H new ATOM 0 HD2 ARG A 43 -0.004 8.938 -10.737 1.00 41.10 H new ATOM 0 HD3 ARG A 43 1.393 9.954 -10.446 1.00 41.10 H new ATOM 0 HE ARG A 43 0.202 8.279 -8.252 1.00 11.43 H new ATOM 0 HH11 ARG A 43 3.054 9.222 -10.182 1.00 23.01 H new ATOM 0 HH12 ARG A 43 4.162 8.293 -9.167 1.00 23.01 H new ATOM 0 HH21 ARG A 43 1.638 7.155 -6.973 1.00 63.13 H new ATOM 0 HH22 ARG A 43 3.362 7.130 -7.359 1.00 63.13 H new ATOM 741 N PHE A 44 1.056 13.968 -6.773 1.00 64.31 N ATOM 742 CA PHE A 44 1.814 14.752 -5.790 1.00 63.45 C ATOM 743 C PHE A 44 2.182 16.113 -6.392 1.00 14.53 C ATOM 744 O PHE A 44 2.047 16.336 -7.603 1.00 13.43 O ATOM 745 CB PHE A 44 3.085 13.975 -5.363 1.00 14.31 C ATOM 746 CG PHE A 44 3.937 14.674 -4.299 1.00 51.03 C ATOM 747 CD1 PHE A 44 5.221 15.149 -4.589 1.00 10.02 C ATOM 748 CD2 PHE A 44 3.445 14.854 -3.004 1.00 25.14 C ATOM 749 CE1 PHE A 44 5.979 15.778 -3.619 1.00 71.44 C ATOM 750 CE2 PHE A 44 4.207 15.483 -2.040 1.00 54.45 C ATOM 751 CZ PHE A 44 5.473 15.943 -2.348 1.00 13.52 C ATOM 0 H PHE A 44 1.408 14.072 -7.725 1.00 64.31 H new ATOM 0 HA PHE A 44 1.201 14.918 -4.904 1.00 63.45 H new ATOM 0 HB2 PHE A 44 2.786 12.997 -4.985 1.00 14.31 H new ATOM 0 HB3 PHE A 44 3.701 13.801 -6.245 1.00 14.31 H new ATOM 0 HD1 PHE A 44 5.625 15.023 -5.583 1.00 10.02 H new ATOM 0 HD2 PHE A 44 2.457 14.497 -2.754 1.00 25.14 H new ATOM 0 HE1 PHE A 44 6.968 16.140 -3.857 1.00 71.44 H new ATOM 0 HE2 PHE A 44 3.813 15.616 -1.043 1.00 54.45 H new ATOM 0 HZ PHE A 44 6.067 16.433 -1.591 1.00 13.52 H new TER 761 PHE A 44 ATOM 762 N ASP B 101 9.768 -16.305 22.723 1.00 61.11 N ATOM 763 CA ASP B 101 8.358 -15.948 22.925 1.00 54.31 C ATOM 764 C ASP B 101 7.952 -14.793 22.004 1.00 53.34 C ATOM 765 O ASP B 101 6.764 -14.485 21.863 1.00 65.21 O ATOM 766 CB ASP B 101 8.105 -15.570 24.409 1.00 50.10 C ATOM 767 CG ASP B 101 8.499 -16.686 25.397 1.00 24.31 C ATOM 768 OD1 ASP B 101 7.754 -17.676 25.519 1.00 43.12 O ATOM 769 OD2 ASP B 101 9.560 -16.586 26.049 1.00 2.31 O ATOM 0 HA ASP B 101 7.746 -16.815 22.675 1.00 54.31 H new ATOM 0 HB2 ASP B 101 8.667 -14.667 24.648 1.00 50.10 H new ATOM 0 HB3 ASP B 101 7.049 -15.333 24.542 1.00 50.10 H new ATOM 774 N PHE B 102 8.955 -14.147 21.403 1.00 73.13 N ATOM 775 CA PHE B 102 8.778 -12.982 20.525 1.00 61.32 C ATOM 776 C PHE B 102 9.284 -13.263 19.093 1.00 31.22 C ATOM 777 O PHE B 102 9.182 -12.400 18.212 1.00 3.32 O ATOM 778 CB PHE B 102 9.530 -11.786 21.130 1.00 43.20 C ATOM 779 CG PHE B 102 9.008 -11.324 22.496 1.00 22.31 C ATOM 780 CD1 PHE B 102 7.883 -10.511 22.585 1.00 4.34 C ATOM 781 CD2 PHE B 102 9.650 -11.692 23.679 1.00 54.32 C ATOM 782 CE1 PHE B 102 7.411 -10.080 23.802 1.00 73.11 C ATOM 783 CE2 PHE B 102 9.176 -11.261 24.903 1.00 15.50 C ATOM 784 CZ PHE B 102 8.054 -10.457 24.965 1.00 15.35 C ATOM 0 H PHE B 102 9.931 -14.422 21.514 1.00 73.13 H new ATOM 0 HA PHE B 102 7.714 -12.759 20.452 1.00 61.32 H new ATOM 0 HB2 PHE B 102 10.583 -12.049 21.229 1.00 43.20 H new ATOM 0 HB3 PHE B 102 9.474 -10.949 20.433 1.00 43.20 H new ATOM 0 HD1 PHE B 102 7.371 -10.213 21.682 1.00 4.34 H new ATOM 0 HD2 PHE B 102 10.527 -12.321 23.637 1.00 54.32 H new ATOM 0 HE1 PHE B 102 6.537 -9.447 23.849 1.00 73.11 H new ATOM 0 HE2 PHE B 102 9.682 -11.552 25.811 1.00 15.50 H new ATOM 0 HZ PHE B 102 7.680 -10.124 25.922 1.00 15.35 H new ATOM 794 N LYS B 103 9.828 -14.478 18.865 1.00 74.12 N ATOM 795 CA LYS B 103 10.206 -14.925 17.513 1.00 32.40 C ATOM 796 C LYS B 103 8.946 -14.972 16.635 1.00 74.32 C ATOM 797 O LYS B 103 8.992 -14.671 15.438 1.00 74.52 O ATOM 798 CB LYS B 103 10.938 -16.303 17.507 1.00 23.44 C ATOM 799 CG LYS B 103 10.047 -17.557 17.714 1.00 41.21 C ATOM 800 CD LYS B 103 9.598 -17.782 19.180 1.00 23.10 C ATOM 801 CE LYS B 103 10.759 -18.304 20.061 1.00 63.42 C ATOM 802 NZ LYS B 103 10.305 -18.770 21.396 1.00 2.41 N ATOM 0 H LYS B 103 10.013 -15.162 19.599 1.00 74.12 H new ATOM 0 HA LYS B 103 10.921 -14.207 17.110 1.00 32.40 H new ATOM 0 HB2 LYS B 103 11.461 -16.408 16.556 1.00 23.44 H new ATOM 0 HB3 LYS B 103 11.697 -16.290 18.289 1.00 23.44 H new ATOM 0 HG2 LYS B 103 9.162 -17.468 17.084 1.00 41.21 H new ATOM 0 HG3 LYS B 103 10.593 -18.437 17.374 1.00 41.21 H new ATOM 0 HD2 LYS B 103 9.220 -16.846 19.593 1.00 23.10 H new ATOM 0 HD3 LYS B 103 8.775 -18.496 19.203 1.00 23.10 H new ATOM 0 HE2 LYS B 103 11.259 -19.124 19.546 1.00 63.42 H new ATOM 0 HE3 LYS B 103 11.496 -17.511 20.189 1.00 63.42 H new ATOM 0 HZ1 LYS B 103 11.069 -19.305 21.855 1.00 2.41 H new ATOM 0 HZ2 LYS B 103 10.055 -17.949 21.984 1.00 2.41 H new ATOM 0 HZ3 LYS B 103 9.472 -19.383 21.285 1.00 2.41 H new ATOM 816 N LYS B 104 7.810 -15.333 17.287 1.00 72.24 N ATOM 817 CA LYS B 104 6.490 -15.294 16.679 1.00 23.21 C ATOM 818 C LYS B 104 6.133 -13.869 16.212 1.00 11.22 C ATOM 819 O LYS B 104 5.651 -13.725 15.104 1.00 72.42 O ATOM 820 CB LYS B 104 5.420 -15.886 17.653 1.00 41.00 C ATOM 821 CG LYS B 104 5.257 -15.164 19.024 1.00 42.44 C ATOM 822 CD LYS B 104 4.234 -13.988 19.040 1.00 21.14 C ATOM 823 CE LYS B 104 2.808 -14.387 18.618 1.00 71.35 C ATOM 824 NZ LYS B 104 2.157 -15.298 19.600 1.00 14.10 N ATOM 0 H LYS B 104 7.804 -15.658 18.254 1.00 72.24 H new ATOM 0 HA LYS B 104 6.500 -15.921 15.787 1.00 23.21 H new ATOM 0 HB2 LYS B 104 4.455 -15.879 17.146 1.00 41.00 H new ATOM 0 HB3 LYS B 104 5.672 -16.929 17.844 1.00 41.00 H new ATOM 0 HG2 LYS B 104 4.952 -15.899 19.769 1.00 42.44 H new ATOM 0 HG3 LYS B 104 6.230 -14.782 19.333 1.00 42.44 H new ATOM 0 HD2 LYS B 104 4.199 -13.565 20.044 1.00 21.14 H new ATOM 0 HD3 LYS B 104 4.591 -13.201 18.375 1.00 21.14 H new ATOM 0 HE2 LYS B 104 2.202 -13.489 18.503 1.00 71.35 H new ATOM 0 HE3 LYS B 104 2.844 -14.874 17.644 1.00 71.35 H new ATOM 0 HZ1 LYS B 104 1.200 -15.537 19.270 1.00 14.10 H new ATOM 0 HZ2 LYS B 104 2.719 -16.168 19.692 1.00 14.10 H new ATOM 0 HZ3 LYS B 104 2.097 -14.826 20.525 1.00 14.10 H new ATOM 838 N LEU B 105 6.437 -12.810 17.044 1.00 73.52 N ATOM 839 CA LEU B 105 6.054 -11.402 16.711 1.00 72.11 C ATOM 840 C LEU B 105 6.752 -10.998 15.421 1.00 63.54 C ATOM 841 O LEU B 105 6.141 -10.347 14.559 1.00 71.20 O ATOM 842 CB LEU B 105 6.333 -10.359 17.889 1.00 72.24 C ATOM 843 CG LEU B 105 7.741 -9.597 17.994 1.00 71.41 C ATOM 844 CD1 LEU B 105 7.950 -8.483 16.937 1.00 21.33 C ATOM 845 CD2 LEU B 105 7.942 -8.979 19.389 1.00 43.31 C ATOM 0 H LEU B 105 6.935 -12.910 17.929 1.00 73.52 H new ATOM 0 HA LEU B 105 4.973 -11.375 16.575 1.00 72.11 H new ATOM 0 HB2 LEU B 105 5.558 -9.594 17.830 1.00 72.24 H new ATOM 0 HB3 LEU B 105 6.185 -10.890 18.829 1.00 72.24 H new ATOM 0 HG LEU B 105 8.479 -10.376 17.802 1.00 71.41 H new ATOM 0 HD11 LEU B 105 8.927 -8.022 17.083 1.00 21.33 H new ATOM 0 HD12 LEU B 105 7.898 -8.915 15.938 1.00 21.33 H new ATOM 0 HD13 LEU B 105 7.172 -7.727 17.046 1.00 21.33 H new ATOM 0 HD21 LEU B 105 8.905 -8.470 19.426 1.00 43.31 H new ATOM 0 HD22 LEU B 105 7.145 -8.262 19.588 1.00 43.31 H new ATOM 0 HD23 LEU B 105 7.918 -9.766 20.143 1.00 43.31 H new ATOM 857 N TYR B 106 8.052 -11.403 15.315 1.00 74.44 N ATOM 858 CA TYR B 106 8.863 -11.155 14.122 1.00 22.35 C ATOM 859 C TYR B 106 8.140 -11.721 12.904 1.00 13.42 C ATOM 860 O TYR B 106 7.887 -11.000 11.958 1.00 3.14 O ATOM 861 CB TYR B 106 10.291 -11.764 14.238 1.00 43.24 C ATOM 862 CG TYR B 106 11.252 -11.288 13.119 1.00 41.45 C ATOM 863 CD1 TYR B 106 11.487 -12.039 11.962 1.00 33.21 C ATOM 864 CD2 TYR B 106 11.883 -10.051 13.217 1.00 32.23 C ATOM 865 CE1 TYR B 106 12.310 -11.562 10.952 1.00 52.21 C ATOM 866 CE2 TYR B 106 12.707 -9.567 12.223 1.00 10.53 C ATOM 867 CZ TYR B 106 12.917 -10.323 11.089 1.00 73.13 C ATOM 868 OH TYR B 106 13.718 -9.835 10.075 1.00 44.12 O ATOM 0 H TYR B 106 8.546 -11.903 16.054 1.00 74.44 H new ATOM 0 HA TYR B 106 8.991 -10.078 14.017 1.00 22.35 H new ATOM 0 HB2 TYR B 106 10.714 -11.500 15.207 1.00 43.24 H new ATOM 0 HB3 TYR B 106 10.219 -12.851 14.207 1.00 43.24 H new ATOM 0 HD1 TYR B 106 11.020 -13.007 11.853 1.00 33.21 H new ATOM 0 HD2 TYR B 106 11.722 -9.451 14.100 1.00 32.23 H new ATOM 0 HE1 TYR B 106 12.477 -12.153 10.064 1.00 52.21 H new ATOM 0 HE2 TYR B 106 13.184 -8.604 12.332 1.00 10.53 H new ATOM 0 HH TYR B 106 14.066 -8.954 10.328 1.00 44.12 H new ATOM 878 N GLU B 107 7.707 -12.987 13.016 1.00 64.12 N ATOM 879 CA GLU B 107 7.026 -13.697 11.936 1.00 32.31 C ATOM 880 C GLU B 107 5.673 -13.065 11.556 1.00 62.33 C ATOM 881 O GLU B 107 5.374 -12.966 10.375 1.00 34.41 O ATOM 882 CB GLU B 107 6.821 -15.176 12.328 1.00 53.34 C ATOM 883 CG GLU B 107 8.124 -15.975 12.554 1.00 75.42 C ATOM 884 CD GLU B 107 9.201 -15.744 11.473 1.00 61.21 C ATOM 885 OE1 GLU B 107 8.955 -16.074 10.292 1.00 21.02 O ATOM 886 OE2 GLU B 107 10.299 -15.234 11.806 1.00 74.21 O ATOM 0 H GLU B 107 7.823 -13.543 13.863 1.00 64.12 H new ATOM 0 HA GLU B 107 7.667 -13.624 11.057 1.00 32.31 H new ATOM 0 HB2 GLU B 107 6.225 -15.216 13.240 1.00 53.34 H new ATOM 0 HB3 GLU B 107 6.242 -15.667 11.546 1.00 53.34 H new ATOM 0 HG2 GLU B 107 8.537 -15.707 13.526 1.00 75.42 H new ATOM 0 HG3 GLU B 107 7.884 -17.038 12.591 1.00 75.42 H new ATOM 893 N GLN B 108 4.885 -12.631 12.560 1.00 20.24 N ATOM 894 CA GLN B 108 3.513 -12.114 12.338 1.00 32.54 C ATOM 895 C GLN B 108 3.550 -10.819 11.508 1.00 23.03 C ATOM 896 O GLN B 108 2.974 -10.753 10.406 1.00 71.11 O ATOM 897 CB GLN B 108 2.755 -11.870 13.684 1.00 75.44 C ATOM 898 CG GLN B 108 2.679 -13.083 14.650 1.00 10.34 C ATOM 899 CD GLN B 108 2.409 -14.421 13.950 1.00 54.33 C ATOM 900 OE1 GLN B 108 1.261 -14.823 13.761 1.00 44.43 O ATOM 901 NE2 GLN B 108 3.471 -15.110 13.556 1.00 73.44 N ATOM 0 H GLN B 108 5.174 -12.627 13.538 1.00 20.24 H new ATOM 0 HA GLN B 108 2.967 -12.877 11.784 1.00 32.54 H new ATOM 0 HB2 GLN B 108 3.239 -11.044 14.206 1.00 75.44 H new ATOM 0 HB3 GLN B 108 1.739 -11.550 13.453 1.00 75.44 H new ATOM 0 HG2 GLN B 108 3.617 -13.155 15.201 1.00 10.34 H new ATOM 0 HG3 GLN B 108 1.892 -12.902 15.383 1.00 10.34 H new ATOM 0 HE21 GLN B 108 4.408 -14.746 13.729 1.00 73.44 H new ATOM 0 HE22 GLN B 108 3.351 -16.004 13.079 1.00 73.44 H new ATOM 910 N ILE B 109 4.272 -9.811 12.038 1.00 52.53 N ATOM 911 CA ILE B 109 4.363 -8.480 11.419 1.00 23.42 C ATOM 912 C ILE B 109 5.138 -8.548 10.078 1.00 35.24 C ATOM 913 O ILE B 109 4.771 -7.860 9.132 1.00 4.54 O ATOM 914 CB ILE B 109 5.054 -7.420 12.359 1.00 3.55 C ATOM 915 CG1 ILE B 109 4.531 -7.506 13.828 1.00 2.31 C ATOM 916 CG2 ILE B 109 4.846 -5.990 11.800 1.00 5.42 C ATOM 917 CD1 ILE B 109 5.256 -6.580 14.795 1.00 33.33 C ATOM 0 H ILE B 109 4.805 -9.899 12.903 1.00 52.53 H new ATOM 0 HA ILE B 109 3.337 -8.157 11.241 1.00 23.42 H new ATOM 0 HB ILE B 109 6.119 -7.649 12.378 1.00 3.55 H new ATOM 0 HG12 ILE B 109 3.468 -7.267 13.839 1.00 2.31 H new ATOM 0 HG13 ILE B 109 4.631 -8.533 14.180 1.00 2.31 H new ATOM 0 HG21 ILE B 109 5.328 -5.268 12.459 1.00 5.42 H new ATOM 0 HG22 ILE B 109 5.284 -5.921 10.804 1.00 5.42 H new ATOM 0 HG23 ILE B 109 3.779 -5.773 11.743 1.00 5.42 H new ATOM 0 HD11 ILE B 109 4.837 -6.697 15.794 1.00 33.33 H new ATOM 0 HD12 ILE B 109 6.316 -6.832 14.815 1.00 33.33 H new ATOM 0 HD13 ILE B 109 5.135 -5.547 14.469 1.00 33.33 H new ATOM 929 N LEU B 110 6.211 -9.378 10.023 1.00 4.13 N ATOM 930 CA LEU B 110 7.056 -9.551 8.806 1.00 3.31 C ATOM 931 C LEU B 110 6.272 -10.275 7.696 1.00 32.42 C ATOM 932 O LEU B 110 6.482 -9.997 6.522 1.00 4.22 O ATOM 933 CB LEU B 110 8.395 -10.303 9.141 1.00 35.41 C ATOM 934 CG LEU B 110 9.631 -10.133 8.177 1.00 55.05 C ATOM 935 CD1 LEU B 110 9.503 -10.919 6.854 1.00 24.22 C ATOM 936 CD2 LEU B 110 9.927 -8.636 7.919 1.00 71.31 C ATOM 0 H LEU B 110 6.516 -9.945 10.814 1.00 4.13 H new ATOM 0 HA LEU B 110 7.322 -8.560 8.439 1.00 3.31 H new ATOM 0 HB2 LEU B 110 8.709 -9.988 10.136 1.00 35.41 H new ATOM 0 HB3 LEU B 110 8.168 -11.368 9.200 1.00 35.41 H new ATOM 0 HG LEU B 110 10.482 -10.574 8.696 1.00 55.05 H new ATOM 0 HD11 LEU B 110 10.391 -10.752 6.244 1.00 24.22 H new ATOM 0 HD12 LEU B 110 9.406 -11.983 7.071 1.00 24.22 H new ATOM 0 HD13 LEU B 110 8.621 -10.578 6.312 1.00 24.22 H new ATOM 0 HD21 LEU B 110 10.784 -8.544 7.251 1.00 71.31 H new ATOM 0 HD22 LEU B 110 9.057 -8.167 7.459 1.00 71.31 H new ATOM 0 HD23 LEU B 110 10.149 -8.141 8.864 1.00 71.31 H new ATOM 948 N ALA B 111 5.365 -11.199 8.079 1.00 64.03 N ATOM 949 CA ALA B 111 4.486 -11.897 7.116 1.00 43.51 C ATOM 950 C ALA B 111 3.544 -10.887 6.439 1.00 4.34 C ATOM 951 O ALA B 111 3.309 -10.949 5.219 1.00 34.23 O ATOM 952 CB ALA B 111 3.681 -13.006 7.813 1.00 2.21 C ATOM 0 H ALA B 111 5.222 -11.479 9.049 1.00 64.03 H new ATOM 0 HA ALA B 111 5.108 -12.365 6.353 1.00 43.51 H new ATOM 0 HB1 ALA B 111 3.042 -13.505 7.084 1.00 2.21 H new ATOM 0 HB2 ALA B 111 4.366 -13.732 8.252 1.00 2.21 H new ATOM 0 HB3 ALA B 111 3.064 -12.569 8.598 1.00 2.21 H new ATOM 958 N GLU B 112 3.016 -9.954 7.258 1.00 41.01 N ATOM 959 CA GLU B 112 2.168 -8.860 6.768 1.00 55.31 C ATOM 960 C GLU B 112 3.000 -7.837 5.969 1.00 62.11 C ATOM 961 O GLU B 112 2.542 -7.346 4.958 1.00 15.42 O ATOM 962 CB GLU B 112 1.418 -8.166 7.940 1.00 3.42 C ATOM 963 CG GLU B 112 0.320 -7.165 7.489 1.00 3.12 C ATOM 964 CD GLU B 112 -0.997 -7.788 6.968 1.00 3.30 C ATOM 965 OE1 GLU B 112 -1.018 -8.957 6.521 1.00 62.42 O ATOM 966 OE2 GLU B 112 -2.034 -7.094 6.976 1.00 62.25 O ATOM 0 H GLU B 112 3.166 -9.941 8.267 1.00 41.01 H new ATOM 0 HA GLU B 112 1.422 -9.289 6.099 1.00 55.31 H new ATOM 0 HB2 GLU B 112 0.961 -8.931 8.568 1.00 3.42 H new ATOM 0 HB3 GLU B 112 2.143 -7.638 8.559 1.00 3.42 H new ATOM 0 HG2 GLU B 112 0.082 -6.514 8.331 1.00 3.12 H new ATOM 0 HG3 GLU B 112 0.734 -6.532 6.704 1.00 3.12 H new ATOM 973 N ASN B 113 4.242 -7.572 6.429 1.00 2.23 N ATOM 974 CA ASN B 113 5.179 -6.586 5.826 1.00 73.31 C ATOM 975 C ASN B 113 5.569 -7.026 4.399 1.00 5.45 C ATOM 976 O ASN B 113 5.601 -6.213 3.474 1.00 61.43 O ATOM 977 CB ASN B 113 6.446 -6.469 6.722 1.00 53.45 C ATOM 978 CG ASN B 113 7.457 -5.419 6.252 1.00 22.10 C ATOM 979 OD1 ASN B 113 8.309 -5.690 5.407 1.00 64.45 O ATOM 980 ND2 ASN B 113 7.386 -4.216 6.807 1.00 44.12 N ATOM 0 H ASN B 113 4.633 -8.043 7.245 1.00 2.23 H new ATOM 0 HA ASN B 113 4.692 -5.613 5.763 1.00 73.31 H new ATOM 0 HB2 ASN B 113 6.136 -6.228 7.739 1.00 53.45 H new ATOM 0 HB3 ASN B 113 6.940 -7.440 6.761 1.00 53.45 H new ATOM 0 HD21 ASN B 113 8.048 -3.489 6.535 1.00 44.12 H new ATOM 0 HD22 ASN B 113 6.669 -4.018 7.505 1.00 44.12 H new ATOM 987 N GLU B 114 5.852 -8.335 4.277 1.00 5.15 N ATOM 988 CA GLU B 114 6.099 -9.044 3.007 1.00 31.02 C ATOM 989 C GLU B 114 4.931 -8.817 2.047 1.00 54.34 C ATOM 990 O GLU B 114 5.117 -8.358 0.906 1.00 33.23 O ATOM 991 CB GLU B 114 6.297 -10.572 3.291 1.00 0.21 C ATOM 992 CG GLU B 114 5.867 -11.514 2.140 1.00 73.43 C ATOM 993 CD GLU B 114 6.159 -12.995 2.417 1.00 0.32 C ATOM 994 OE1 GLU B 114 7.268 -13.477 2.100 1.00 63.34 O ATOM 995 OE2 GLU B 114 5.280 -13.682 2.972 1.00 21.10 O ATOM 0 H GLU B 114 5.918 -8.951 5.088 1.00 5.15 H new ATOM 0 HA GLU B 114 7.004 -8.655 2.541 1.00 31.02 H new ATOM 0 HB2 GLU B 114 7.349 -10.751 3.513 1.00 0.21 H new ATOM 0 HB3 GLU B 114 5.733 -10.836 4.186 1.00 0.21 H new ATOM 0 HG2 GLU B 114 4.799 -11.390 1.960 1.00 73.43 H new ATOM 0 HG3 GLU B 114 6.381 -11.216 1.226 1.00 73.43 H new ATOM 1002 N LYS B 115 3.729 -9.152 2.550 1.00 14.13 N ATOM 1003 CA LYS B 115 2.486 -9.025 1.801 1.00 61.21 C ATOM 1004 C LYS B 115 2.281 -7.569 1.348 1.00 0.15 C ATOM 1005 O LYS B 115 1.849 -7.327 0.229 1.00 41.11 O ATOM 1006 CB LYS B 115 1.281 -9.466 2.672 1.00 5.12 C ATOM 1007 CG LYS B 115 -0.089 -9.472 1.933 1.00 32.21 C ATOM 1008 CD LYS B 115 -1.292 -9.156 2.855 1.00 41.34 C ATOM 1009 CE LYS B 115 -1.278 -7.695 3.357 1.00 52.23 C ATOM 1010 NZ LYS B 115 -2.496 -7.370 4.147 1.00 23.14 N ATOM 0 H LYS B 115 3.602 -9.519 3.493 1.00 14.13 H new ATOM 0 HA LYS B 115 2.550 -9.670 0.925 1.00 61.21 H new ATOM 0 HB2 LYS B 115 1.475 -10.467 3.056 1.00 5.12 H new ATOM 0 HB3 LYS B 115 1.211 -8.802 3.533 1.00 5.12 H new ATOM 0 HG2 LYS B 115 -0.060 -8.741 1.125 1.00 32.21 H new ATOM 0 HG3 LYS B 115 -0.241 -10.449 1.474 1.00 32.21 H new ATOM 0 HD2 LYS B 115 -2.220 -9.343 2.315 1.00 41.34 H new ATOM 0 HD3 LYS B 115 -1.279 -9.832 3.710 1.00 41.34 H new ATOM 0 HE2 LYS B 115 -0.392 -7.530 3.970 1.00 52.23 H new ATOM 0 HE3 LYS B 115 -1.206 -7.019 2.505 1.00 52.23 H new ATOM 0 HZ1 LYS B 115 -2.230 -6.807 4.980 1.00 23.14 H new ATOM 0 HZ2 LYS B 115 -3.157 -6.825 3.558 1.00 23.14 H new ATOM 0 HZ3 LYS B 115 -2.954 -8.251 4.457 1.00 23.14 H new ATOM 1024 N LEU B 116 2.635 -6.617 2.245 1.00 24.22 N ATOM 1025 CA LEU B 116 2.461 -5.177 2.015 1.00 31.34 C ATOM 1026 C LEU B 116 3.392 -4.664 0.906 1.00 21.53 C ATOM 1027 O LEU B 116 3.035 -3.737 0.185 1.00 11.32 O ATOM 1028 CB LEU B 116 2.622 -4.354 3.320 1.00 3.04 C ATOM 1029 CG LEU B 116 1.475 -4.507 4.368 1.00 71.14 C ATOM 1030 CD1 LEU B 116 1.751 -3.677 5.633 1.00 52.11 C ATOM 1031 CD2 LEU B 116 0.101 -4.150 3.765 1.00 70.34 C ATOM 0 H LEU B 116 3.051 -6.836 3.150 1.00 24.22 H new ATOM 0 HA LEU B 116 1.436 -5.033 1.673 1.00 31.34 H new ATOM 0 HB2 LEU B 116 3.561 -4.640 3.794 1.00 3.04 H new ATOM 0 HB3 LEU B 116 2.707 -3.300 3.054 1.00 3.04 H new ATOM 0 HG LEU B 116 1.447 -5.557 4.658 1.00 71.14 H new ATOM 0 HD11 LEU B 116 0.932 -3.808 6.340 1.00 52.11 H new ATOM 0 HD12 LEU B 116 2.682 -4.010 6.091 1.00 52.11 H new ATOM 0 HD13 LEU B 116 1.835 -2.624 5.366 1.00 52.11 H new ATOM 0 HD21 LEU B 116 -0.672 -4.269 4.525 1.00 70.34 H new ATOM 0 HD22 LEU B 116 0.113 -3.117 3.418 1.00 70.34 H new ATOM 0 HD23 LEU B 116 -0.111 -4.812 2.925 1.00 70.34 H new ATOM 1043 N LYS B 117 4.563 -5.288 0.760 1.00 44.23 N ATOM 1044 CA LYS B 117 5.505 -4.957 -0.321 1.00 21.40 C ATOM 1045 C LYS B 117 4.982 -5.472 -1.676 1.00 25.15 C ATOM 1046 O LYS B 117 5.117 -4.796 -2.707 1.00 72.15 O ATOM 1047 CB LYS B 117 6.914 -5.513 -0.006 1.00 41.15 C ATOM 1048 CG LYS B 117 7.610 -4.828 1.202 1.00 10.11 C ATOM 1049 CD LYS B 117 9.009 -5.417 1.495 1.00 41.33 C ATOM 1050 CE LYS B 117 8.950 -6.882 1.955 1.00 43.41 C ATOM 1051 NZ LYS B 117 10.298 -7.498 2.004 1.00 61.32 N ATOM 0 H LYS B 117 4.887 -6.031 1.380 1.00 44.23 H new ATOM 0 HA LYS B 117 5.586 -3.872 -0.391 1.00 21.40 H new ATOM 0 HB2 LYS B 117 6.835 -6.582 0.192 1.00 41.15 H new ATOM 0 HB3 LYS B 117 7.544 -5.398 -0.888 1.00 41.15 H new ATOM 0 HG2 LYS B 117 7.704 -3.760 1.005 1.00 10.11 H new ATOM 0 HG3 LYS B 117 6.982 -4.935 2.087 1.00 10.11 H new ATOM 0 HD2 LYS B 117 9.624 -5.346 0.598 1.00 41.33 H new ATOM 0 HD3 LYS B 117 9.497 -4.818 2.264 1.00 41.33 H new ATOM 0 HE2 LYS B 117 8.490 -6.935 2.942 1.00 43.41 H new ATOM 0 HE3 LYS B 117 8.315 -7.451 1.276 1.00 43.41 H new ATOM 0 HZ1 LYS B 117 10.217 -8.486 2.319 1.00 61.32 H new ATOM 0 HZ2 LYS B 117 10.727 -7.470 1.057 1.00 61.32 H new ATOM 0 HZ3 LYS B 117 10.897 -6.970 2.671 1.00 61.32 H new ATOM 1065 N ALA B 118 4.348 -6.660 -1.652 1.00 22.32 N ATOM 1066 CA ALA B 118 3.830 -7.311 -2.865 1.00 12.33 C ATOM 1067 C ALA B 118 2.554 -6.614 -3.373 1.00 3.13 C ATOM 1068 O ALA B 118 2.391 -6.424 -4.580 1.00 3.24 O ATOM 1069 CB ALA B 118 3.571 -8.800 -2.591 1.00 43.12 C ATOM 0 H ALA B 118 4.183 -7.190 -0.796 1.00 22.32 H new ATOM 0 HA ALA B 118 4.582 -7.224 -3.650 1.00 12.33 H new ATOM 0 HB1 ALA B 118 3.188 -9.275 -3.494 1.00 43.12 H new ATOM 0 HB2 ALA B 118 4.502 -9.283 -2.295 1.00 43.12 H new ATOM 0 HB3 ALA B 118 2.839 -8.901 -1.790 1.00 43.12 H new ATOM 1075 N GLN B 119 1.672 -6.210 -2.434 1.00 33.55 N ATOM 1076 CA GLN B 119 0.382 -5.570 -2.758 1.00 0.14 C ATOM 1077 C GLN B 119 0.589 -4.124 -3.218 1.00 24.40 C ATOM 1078 O GLN B 119 -0.164 -3.647 -4.059 1.00 33.33 O ATOM 1079 CB GLN B 119 -0.598 -5.626 -1.544 1.00 50.13 C ATOM 1080 CG GLN B 119 -0.123 -4.885 -0.269 1.00 25.14 C ATOM 1081 CD GLN B 119 -0.425 -3.384 -0.189 1.00 62.23 C ATOM 1082 OE1 GLN B 119 -1.427 -2.900 -0.713 1.00 3.42 O ATOM 1083 NE2 GLN B 119 0.464 -2.632 0.445 1.00 3.22 N ATOM 0 H GLN B 119 1.835 -6.319 -1.433 1.00 33.55 H new ATOM 0 HA GLN B 119 -0.067 -6.129 -3.579 1.00 0.14 H new ATOM 0 HB2 GLN B 119 -1.555 -5.205 -1.852 1.00 50.13 H new ATOM 0 HB3 GLN B 119 -0.776 -6.671 -1.291 1.00 50.13 H new ATOM 0 HG2 GLN B 119 -0.578 -5.370 0.595 1.00 25.14 H new ATOM 0 HG3 GLN B 119 0.955 -5.020 -0.179 1.00 25.14 H new ATOM 0 HE21 GLN B 119 1.285 -3.062 0.870 1.00 3.22 H new ATOM 0 HE22 GLN B 119 0.326 -1.623 0.508 1.00 3.22 H new ATOM 1092 N LEU B 120 1.587 -3.414 -2.622 1.00 22.24 N ATOM 1093 CA LEU B 120 1.893 -2.029 -3.021 1.00 44.51 C ATOM 1094 C LEU B 120 2.455 -2.023 -4.439 1.00 3.14 C ATOM 1095 O LEU B 120 2.084 -1.172 -5.233 1.00 74.22 O ATOM 1096 CB LEU B 120 2.848 -1.303 -2.007 1.00 13.22 C ATOM 1097 CG LEU B 120 4.414 -1.546 -2.095 1.00 33.52 C ATOM 1098 CD1 LEU B 120 5.120 -0.608 -3.113 1.00 72.52 C ATOM 1099 CD2 LEU B 120 5.083 -1.407 -0.720 1.00 75.55 C ATOM 0 H LEU B 120 2.179 -3.779 -1.876 1.00 22.24 H new ATOM 0 HA LEU B 120 0.965 -1.457 -3.005 1.00 44.51 H new ATOM 0 HB2 LEU B 120 2.678 -0.231 -2.109 1.00 13.22 H new ATOM 0 HB3 LEU B 120 2.530 -1.582 -1.002 1.00 13.22 H new ATOM 0 HG LEU B 120 4.531 -2.569 -2.452 1.00 33.52 H new ATOM 0 HD11 LEU B 120 6.188 -0.824 -3.126 1.00 72.52 H new ATOM 0 HD12 LEU B 120 4.704 -0.772 -4.107 1.00 72.52 H new ATOM 0 HD13 LEU B 120 4.963 0.430 -2.820 1.00 72.52 H new ATOM 0 HD21 LEU B 120 6.155 -1.580 -0.818 1.00 75.55 H new ATOM 0 HD22 LEU B 120 4.911 -0.403 -0.332 1.00 75.55 H new ATOM 0 HD23 LEU B 120 4.659 -2.139 -0.033 1.00 75.55 H new ATOM 1111 N HIS B 121 3.354 -2.997 -4.743 1.00 74.10 N ATOM 1112 CA HIS B 121 3.909 -3.168 -6.097 1.00 63.14 C ATOM 1113 C HIS B 121 2.769 -3.417 -7.090 1.00 22.34 C ATOM 1114 O HIS B 121 2.695 -2.768 -8.122 1.00 35.51 O ATOM 1115 CB HIS B 121 4.930 -4.333 -6.153 1.00 35.35 C ATOM 1116 CG HIS B 121 5.529 -4.541 -7.531 1.00 3.34 C ATOM 1117 ND1 HIS B 121 6.402 -3.645 -8.112 1.00 54.23 N ATOM 1118 CD2 HIS B 121 5.343 -5.521 -8.456 1.00 65.55 C ATOM 1119 CE1 HIS B 121 6.723 -4.062 -9.324 1.00 10.01 C ATOM 1120 NE2 HIS B 121 6.090 -5.194 -9.555 1.00 53.53 N ATOM 0 H HIS B 121 3.705 -3.671 -4.063 1.00 74.10 H new ATOM 0 HA HIS B 121 4.438 -2.254 -6.366 1.00 63.14 H new ATOM 0 HB2 HIS B 121 5.732 -4.138 -5.441 1.00 35.35 H new ATOM 0 HB3 HIS B 121 4.439 -5.253 -5.835 1.00 35.35 H new ATOM 0 HD2 HIS B 121 4.720 -6.396 -8.344 1.00 65.55 H new ATOM 0 HE1 HIS B 121 7.391 -3.560 -10.009 1.00 10.01 H new ATOM 0 HE2 HIS B 121 6.147 -5.739 -10.415 1.00 53.53 H new ATOM 1129 N ASP B 122 1.877 -4.342 -6.704 1.00 53.12 N ATOM 1130 CA ASP B 122 0.685 -4.738 -7.468 1.00 14.31 C ATOM 1131 C ASP B 122 -0.252 -3.530 -7.746 1.00 21.11 C ATOM 1132 O ASP B 122 -0.748 -3.381 -8.862 1.00 3.10 O ATOM 1133 CB ASP B 122 -0.057 -5.851 -6.675 1.00 32.33 C ATOM 1134 CG ASP B 122 -1.367 -6.310 -7.325 1.00 74.02 C ATOM 1135 OD1 ASP B 122 -2.449 -5.878 -6.875 1.00 35.53 O ATOM 1136 OD2 ASP B 122 -1.318 -7.111 -8.280 1.00 55.22 O ATOM 0 H ASP B 122 1.969 -4.850 -5.824 1.00 53.12 H new ATOM 0 HA ASP B 122 0.993 -5.117 -8.442 1.00 14.31 H new ATOM 0 HB2 ASP B 122 0.605 -6.710 -6.569 1.00 32.33 H new ATOM 0 HB3 ASP B 122 -0.270 -5.487 -5.670 1.00 32.33 H new ATOM 1141 N THR B 123 -0.443 -2.665 -6.722 1.00 24.34 N ATOM 1142 CA THR B 123 -1.310 -1.465 -6.806 1.00 74.22 C ATOM 1143 C THR B 123 -0.641 -0.363 -7.661 1.00 24.13 C ATOM 1144 O THR B 123 -1.320 0.392 -8.359 1.00 50.04 O ATOM 1145 CB THR B 123 -1.646 -0.906 -5.376 1.00 34.02 C ATOM 1146 OG1 THR B 123 -2.273 -1.929 -4.583 1.00 62.34 O ATOM 1147 CG2 THR B 123 -2.572 0.330 -5.428 1.00 2.35 C ATOM 0 H THR B 123 0.001 -2.780 -5.811 1.00 24.34 H new ATOM 0 HA THR B 123 -2.242 -1.765 -7.286 1.00 74.22 H new ATOM 0 HB THR B 123 -0.702 -0.599 -4.925 1.00 34.02 H new ATOM 0 HG1 THR B 123 -1.608 -2.605 -4.337 1.00 62.34 H new ATOM 0 HG21 THR B 123 -2.773 0.677 -4.414 1.00 2.35 H new ATOM 0 HG22 THR B 123 -2.086 1.125 -5.994 1.00 2.35 H new ATOM 0 HG23 THR B 123 -3.511 0.061 -5.913 1.00 2.35 H new ATOM 1155 N ASN B 124 0.700 -0.287 -7.590 1.00 51.35 N ATOM 1156 CA ASN B 124 1.508 0.643 -8.405 1.00 4.21 C ATOM 1157 C ASN B 124 1.568 0.163 -9.868 1.00 42.31 C ATOM 1158 O ASN B 124 1.768 0.977 -10.766 1.00 34.43 O ATOM 1159 CB ASN B 124 2.934 0.828 -7.797 1.00 65.12 C ATOM 1160 CG ASN B 124 2.997 1.935 -6.729 1.00 1.43 C ATOM 1161 OD1 ASN B 124 3.376 3.069 -7.021 1.00 51.40 O ATOM 1162 ND2 ASN B 124 2.541 1.655 -5.517 1.00 21.02 N ATOM 0 H ASN B 124 1.257 -0.870 -6.965 1.00 51.35 H new ATOM 0 HA ASN B 124 1.026 1.621 -8.395 1.00 4.21 H new ATOM 0 HB2 ASN B 124 3.259 -0.114 -7.355 1.00 65.12 H new ATOM 0 HB3 ASN B 124 3.636 1.063 -8.597 1.00 65.12 H new ATOM 0 HD21 ASN B 124 2.499 2.386 -4.806 1.00 21.02 H new ATOM 0 HD22 ASN B 124 2.231 0.709 -5.295 1.00 21.02 H new ATOM 1169 N MET B 125 1.398 -1.159 -10.092 1.00 13.24 N ATOM 1170 CA MET B 125 1.230 -1.727 -11.437 1.00 33.15 C ATOM 1171 C MET B 125 -0.143 -1.336 -12.001 1.00 64.04 C ATOM 1172 O MET B 125 -0.239 -0.976 -13.167 1.00 42.22 O ATOM 1173 CB MET B 125 1.377 -3.272 -11.414 1.00 5.32 C ATOM 1174 CG MET B 125 2.768 -3.814 -11.010 1.00 40.52 C ATOM 1175 SD MET B 125 3.962 -3.912 -12.375 1.00 3.55 S ATOM 1176 CE MET B 125 4.509 -2.216 -12.571 1.00 2.25 C ATOM 0 H MET B 125 1.374 -1.854 -9.346 1.00 13.24 H new ATOM 0 HA MET B 125 2.012 -1.323 -12.079 1.00 33.15 H new ATOM 0 HB2 MET B 125 0.637 -3.677 -10.724 1.00 5.32 H new ATOM 0 HB3 MET B 125 1.133 -3.655 -12.405 1.00 5.32 H new ATOM 0 HG2 MET B 125 3.180 -3.176 -10.228 1.00 40.52 H new ATOM 0 HG3 MET B 125 2.646 -4.807 -10.579 1.00 40.52 H new ATOM 0 HE1 MET B 125 5.562 -2.204 -12.852 1.00 2.25 H new ATOM 0 HE2 MET B 125 3.920 -1.731 -13.349 1.00 2.25 H new ATOM 0 HE3 MET B 125 4.378 -1.681 -11.631 1.00 2.25 H new ATOM 1186 N GLU B 126 -1.199 -1.418 -11.155 1.00 24.25 N ATOM 1187 CA GLU B 126 -2.556 -0.951 -11.512 1.00 54.23 C ATOM 1188 C GLU B 126 -2.531 0.546 -11.855 1.00 61.22 C ATOM 1189 O GLU B 126 -3.202 0.992 -12.775 1.00 20.05 O ATOM 1190 CB GLU B 126 -3.558 -1.174 -10.343 1.00 41.24 C ATOM 1191 CG GLU B 126 -3.696 -2.622 -9.851 1.00 72.21 C ATOM 1192 CD GLU B 126 -4.043 -3.620 -10.965 1.00 23.34 C ATOM 1193 OE1 GLU B 126 -3.232 -4.525 -11.248 1.00 42.33 O ATOM 1194 OE2 GLU B 126 -5.135 -3.506 -11.564 1.00 72.43 O ATOM 0 H GLU B 126 -1.133 -1.807 -10.214 1.00 24.25 H new ATOM 0 HA GLU B 126 -2.881 -1.530 -12.376 1.00 54.23 H new ATOM 0 HB2 GLU B 126 -3.251 -0.552 -9.502 1.00 41.24 H new ATOM 0 HB3 GLU B 126 -4.540 -0.822 -10.659 1.00 41.24 H new ATOM 0 HG2 GLU B 126 -2.762 -2.927 -9.380 1.00 72.21 H new ATOM 0 HG3 GLU B 126 -4.469 -2.664 -9.084 1.00 72.21 H new ATOM 1201 N LEU B 127 -1.738 1.288 -11.072 1.00 30.12 N ATOM 1202 CA LEU B 127 -1.570 2.742 -11.192 1.00 13.34 C ATOM 1203 C LEU B 127 -0.834 3.110 -12.503 1.00 54.30 C ATOM 1204 O LEU B 127 -1.211 4.077 -13.169 1.00 21.11 O ATOM 1205 CB LEU B 127 -0.788 3.241 -9.956 1.00 33.23 C ATOM 1206 CG LEU B 127 -0.514 4.769 -9.863 1.00 61.40 C ATOM 1207 CD1 LEU B 127 -1.808 5.565 -9.595 1.00 2.33 C ATOM 1208 CD2 LEU B 127 0.558 5.057 -8.803 1.00 53.30 C ATOM 0 H LEU B 127 -1.182 0.884 -10.319 1.00 30.12 H new ATOM 0 HA LEU B 127 -2.546 3.225 -11.231 1.00 13.34 H new ATOM 0 HB2 LEU B 127 -1.337 2.941 -9.064 1.00 33.23 H new ATOM 0 HB3 LEU B 127 0.171 2.723 -9.930 1.00 33.23 H new ATOM 0 HG LEU B 127 -0.134 5.104 -10.828 1.00 61.40 H new ATOM 0 HD11 LEU B 127 -1.576 6.628 -9.537 1.00 2.33 H new ATOM 0 HD12 LEU B 127 -2.516 5.392 -10.406 1.00 2.33 H new ATOM 0 HD13 LEU B 127 -2.248 5.238 -8.653 1.00 2.33 H new ATOM 0 HD21 LEU B 127 0.738 6.131 -8.750 1.00 53.30 H new ATOM 0 HD22 LEU B 127 0.215 4.698 -7.832 1.00 53.30 H new ATOM 0 HD23 LEU B 127 1.483 4.547 -9.073 1.00 53.30 H new ATOM 1220 N THR B 128 0.213 2.322 -12.852 1.00 21.30 N ATOM 1221 CA THR B 128 0.978 2.480 -14.111 1.00 41.25 C ATOM 1222 C THR B 128 0.085 2.143 -15.322 1.00 5.11 C ATOM 1223 O THR B 128 0.088 2.840 -16.347 1.00 33.45 O ATOM 1224 CB THR B 128 2.256 1.562 -14.103 1.00 64.52 C ATOM 1225 OG1 THR B 128 3.092 1.912 -12.990 1.00 64.32 O ATOM 1226 CG2 THR B 128 3.083 1.671 -15.400 1.00 30.35 C ATOM 0 H THR B 128 0.550 1.558 -12.266 1.00 21.30 H new ATOM 0 HA THR B 128 1.302 3.518 -14.190 1.00 41.25 H new ATOM 0 HB THR B 128 1.905 0.533 -14.022 1.00 64.52 H new ATOM 0 HG1 THR B 128 2.638 1.678 -12.154 1.00 64.32 H new ATOM 0 HG21 THR B 128 3.951 1.015 -15.334 1.00 30.35 H new ATOM 0 HG22 THR B 128 2.468 1.375 -16.250 1.00 30.35 H new ATOM 0 HG23 THR B 128 3.416 2.700 -15.534 1.00 30.35 H new ATOM 1234 N ASP B 129 -0.711 1.084 -15.144 1.00 33.03 N ATOM 1235 CA ASP B 129 -1.659 0.593 -16.143 1.00 51.35 C ATOM 1236 C ASP B 129 -2.767 1.637 -16.364 1.00 74.13 C ATOM 1237 O ASP B 129 -3.179 1.883 -17.493 1.00 11.41 O ATOM 1238 CB ASP B 129 -2.249 -0.767 -15.663 1.00 21.20 C ATOM 1239 CG ASP B 129 -3.126 -1.477 -16.709 1.00 3.31 C ATOM 1240 OD1 ASP B 129 -4.321 -1.144 -16.828 1.00 15.53 O ATOM 1241 OD2 ASP B 129 -2.617 -2.380 -17.410 1.00 22.33 O ATOM 0 H ASP B 129 -0.713 0.535 -14.284 1.00 33.03 H new ATOM 0 HA ASP B 129 -1.153 0.434 -17.095 1.00 51.35 H new ATOM 0 HB2 ASP B 129 -1.429 -1.428 -15.384 1.00 21.20 H new ATOM 0 HB3 ASP B 129 -2.841 -0.597 -14.764 1.00 21.20 H new ATOM 1246 N LEU B 130 -3.188 2.283 -15.266 1.00 54.20 N ATOM 1247 CA LEU B 130 -4.287 3.249 -15.272 1.00 50.45 C ATOM 1248 C LEU B 130 -3.840 4.540 -15.976 1.00 3.34 C ATOM 1249 O LEU B 130 -4.565 5.053 -16.835 1.00 63.23 O ATOM 1250 CB LEU B 130 -4.765 3.530 -13.812 1.00 34.30 C ATOM 1251 CG LEU B 130 -6.257 3.960 -13.628 1.00 11.41 C ATOM 1252 CD1 LEU B 130 -6.595 5.285 -14.335 1.00 33.12 C ATOM 1253 CD2 LEU B 130 -7.200 2.830 -14.085 1.00 1.31 C ATOM 0 H LEU B 130 -2.770 2.146 -14.346 1.00 54.20 H new ATOM 0 HA LEU B 130 -5.131 2.836 -15.824 1.00 50.45 H new ATOM 0 HB2 LEU B 130 -4.595 2.630 -13.220 1.00 34.30 H new ATOM 0 HB3 LEU B 130 -4.132 4.312 -13.392 1.00 34.30 H new ATOM 0 HG LEU B 130 -6.407 4.140 -12.563 1.00 11.41 H new ATOM 0 HD11 LEU B 130 -7.645 5.528 -14.170 1.00 33.12 H new ATOM 0 HD12 LEU B 130 -5.970 6.082 -13.932 1.00 33.12 H new ATOM 0 HD13 LEU B 130 -6.410 5.184 -15.404 1.00 33.12 H new ATOM 0 HD21 LEU B 130 -8.235 3.144 -13.951 1.00 1.31 H new ATOM 0 HD22 LEU B 130 -7.021 2.610 -15.137 1.00 1.31 H new ATOM 0 HD23 LEU B 130 -7.012 1.936 -13.490 1.00 1.31 H new ATOM 1265 N LYS B 131 -2.636 5.050 -15.612 1.00 4.52 N ATOM 1266 CA LYS B 131 -2.098 6.283 -16.217 1.00 52.44 C ATOM 1267 C LYS B 131 -1.757 6.042 -17.706 1.00 51.22 C ATOM 1268 O LYS B 131 -1.628 6.996 -18.479 1.00 13.32 O ATOM 1269 CB LYS B 131 -0.903 6.874 -15.388 1.00 61.51 C ATOM 1270 CG LYS B 131 0.396 6.028 -15.324 1.00 73.31 C ATOM 1271 CD LYS B 131 1.338 6.240 -16.546 1.00 3.13 C ATOM 1272 CE LYS B 131 2.467 5.211 -16.613 1.00 11.04 C ATOM 1273 NZ LYS B 131 3.246 5.341 -17.870 1.00 20.11 N ATOM 0 H LYS B 131 -2.029 4.628 -14.909 1.00 4.52 H new ATOM 0 HA LYS B 131 -2.869 7.052 -16.186 1.00 52.44 H new ATOM 0 HB2 LYS B 131 -0.652 7.850 -15.804 1.00 61.51 H new ATOM 0 HB3 LYS B 131 -1.249 7.042 -14.368 1.00 61.51 H new ATOM 0 HG2 LYS B 131 0.937 6.277 -14.411 1.00 73.31 H new ATOM 0 HG3 LYS B 131 0.130 4.973 -15.259 1.00 73.31 H new ATOM 0 HD2 LYS B 131 0.752 6.189 -17.463 1.00 3.13 H new ATOM 0 HD3 LYS B 131 1.768 7.241 -16.498 1.00 3.13 H new ATOM 0 HE2 LYS B 131 3.130 5.340 -15.758 1.00 11.04 H new ATOM 0 HE3 LYS B 131 2.050 4.206 -16.544 1.00 11.04 H new ATOM 0 HZ1 LYS B 131 3.567 4.401 -18.178 1.00 20.11 H new ATOM 0 HZ2 LYS B 131 2.646 5.761 -18.608 1.00 20.11 H new ATOM 0 HZ3 LYS B 131 4.071 5.952 -17.705 1.00 20.11 H new ATOM 1287 N LEU B 132 -1.613 4.749 -18.081 1.00 12.31 N ATOM 1288 CA LEU B 132 -1.504 4.325 -19.483 1.00 42.31 C ATOM 1289 C LEU B 132 -2.839 4.553 -20.228 1.00 73.15 C ATOM 1290 O LEU B 132 -2.836 5.128 -21.318 1.00 65.35 O ATOM 1291 CB LEU B 132 -1.055 2.847 -19.563 1.00 41.03 C ATOM 1292 CG LEU B 132 -0.836 2.261 -20.994 1.00 71.14 C ATOM 1293 CD1 LEU B 132 0.166 3.101 -21.808 1.00 65.40 C ATOM 1294 CD2 LEU B 132 -0.394 0.786 -20.925 1.00 32.05 C ATOM 0 H LEU B 132 -1.570 3.977 -17.416 1.00 12.31 H new ATOM 0 HA LEU B 132 -0.746 4.933 -19.976 1.00 42.31 H new ATOM 0 HB2 LEU B 132 -0.124 2.743 -19.006 1.00 41.03 H new ATOM 0 HB3 LEU B 132 -1.801 2.236 -19.055 1.00 41.03 H new ATOM 0 HG LEU B 132 -1.793 2.305 -21.513 1.00 71.14 H new ATOM 0 HD11 LEU B 132 0.291 2.661 -22.797 1.00 65.40 H new ATOM 0 HD12 LEU B 132 -0.210 4.119 -21.909 1.00 65.40 H new ATOM 0 HD13 LEU B 132 1.127 3.119 -21.295 1.00 65.40 H new ATOM 0 HD21 LEU B 132 -0.248 0.402 -21.935 1.00 32.05 H new ATOM 0 HD22 LEU B 132 0.541 0.712 -20.370 1.00 32.05 H new ATOM 0 HD23 LEU B 132 -1.162 0.199 -20.421 1.00 32.05 H new ATOM 1306 N GLN B 133 -3.984 4.121 -19.643 1.00 22.23 N ATOM 1307 CA GLN B 133 -5.318 4.439 -20.221 1.00 24.03 C ATOM 1308 C GLN B 133 -5.584 5.963 -20.189 1.00 3.12 C ATOM 1309 O GLN B 133 -6.332 6.474 -21.011 1.00 20.15 O ATOM 1310 CB GLN B 133 -6.496 3.689 -19.516 1.00 11.01 C ATOM 1311 CG GLN B 133 -6.654 2.188 -19.884 1.00 60.25 C ATOM 1312 CD GLN B 133 -5.857 1.226 -19.008 1.00 3.30 C ATOM 1313 OE1 GLN B 133 -5.825 1.479 -17.710 1.00 30.00 O flip ATOM 1314 NE2 GLN B 133 -5.352 0.207 -19.483 1.00 5.55 N flip ATOM 0 H GLN B 133 -4.014 3.563 -18.790 1.00 22.23 H new ATOM 0 HA GLN B 133 -5.284 4.089 -21.253 1.00 24.03 H new ATOM 0 HB2 GLN B 133 -6.359 3.767 -18.438 1.00 11.01 H new ATOM 0 HB3 GLN B 133 -7.426 4.203 -19.757 1.00 11.01 H new ATOM 0 HG2 GLN B 133 -7.709 1.923 -19.823 1.00 60.25 H new ATOM 0 HG3 GLN B 133 -6.350 2.049 -20.921 1.00 60.25 H new ATOM 0 HE21 GLN B 133 -5.392 0.039 -20.488 1.00 5.55 H new ATOM 0 HE22 GLN B 133 -4.894 -0.468 -18.871 1.00 5.55 H new ATOM 1323 N LEU B 134 -4.967 6.656 -19.218 1.00 15.10 N ATOM 1324 CA LEU B 134 -5.136 8.110 -19.005 1.00 22.31 C ATOM 1325 C LEU B 134 -4.532 8.898 -20.193 1.00 44.13 C ATOM 1326 O LEU B 134 -5.174 9.794 -20.777 1.00 61.12 O ATOM 1327 CB LEU B 134 -4.441 8.508 -17.666 1.00 10.42 C ATOM 1328 CG LEU B 134 -4.999 9.746 -16.908 1.00 13.20 C ATOM 1329 CD1 LEU B 134 -6.350 9.420 -16.233 1.00 35.54 C ATOM 1330 CD2 LEU B 134 -3.988 10.279 -15.888 1.00 64.03 C ATOM 0 H LEU B 134 -4.330 6.222 -18.550 1.00 15.10 H new ATOM 0 HA LEU B 134 -6.197 8.354 -18.946 1.00 22.31 H new ATOM 0 HB2 LEU B 134 -4.491 7.651 -16.994 1.00 10.42 H new ATOM 0 HB3 LEU B 134 -3.387 8.689 -17.875 1.00 10.42 H new ATOM 0 HG LEU B 134 -5.171 10.533 -17.642 1.00 13.20 H new ATOM 0 HD11 LEU B 134 -6.718 10.303 -15.710 1.00 35.54 H new ATOM 0 HD12 LEU B 134 -7.073 9.120 -16.992 1.00 35.54 H new ATOM 0 HD13 LEU B 134 -6.214 8.607 -15.520 1.00 35.54 H new ATOM 0 HD21 LEU B 134 -4.409 11.144 -15.376 1.00 64.03 H new ATOM 0 HD22 LEU B 134 -3.762 9.501 -15.159 1.00 64.03 H new ATOM 0 HD23 LEU B 134 -3.073 10.572 -16.402 1.00 64.03 H new ATOM 1342 N GLU B 135 -3.293 8.519 -20.564 1.00 53.45 N ATOM 1343 CA GLU B 135 -2.574 9.130 -21.688 1.00 21.20 C ATOM 1344 C GLU B 135 -3.192 8.696 -23.035 1.00 52.34 C ATOM 1345 O GLU B 135 -3.061 9.407 -24.032 1.00 22.21 O ATOM 1346 CB GLU B 135 -1.054 8.816 -21.600 1.00 32.32 C ATOM 1347 CG GLU B 135 -0.670 7.326 -21.675 1.00 51.30 C ATOM 1348 CD GLU B 135 0.789 7.039 -21.260 1.00 70.15 C ATOM 1349 OE1 GLU B 135 1.037 6.705 -20.075 1.00 12.21 O ATOM 1350 OE2 GLU B 135 1.699 7.156 -22.106 1.00 45.54 O ATOM 0 H GLU B 135 -2.768 7.783 -20.092 1.00 53.45 H new ATOM 0 HA GLU B 135 -2.680 10.213 -21.628 1.00 21.20 H new ATOM 0 HB2 GLU B 135 -0.546 9.343 -22.408 1.00 32.32 H new ATOM 0 HB3 GLU B 135 -0.672 9.223 -20.664 1.00 32.32 H new ATOM 0 HG2 GLU B 135 -1.340 6.755 -21.033 1.00 51.30 H new ATOM 0 HG3 GLU B 135 -0.825 6.971 -22.694 1.00 51.30 H new ATOM 1357 N LYS B 136 -3.881 7.535 -23.050 1.00 64.15 N ATOM 1358 CA LYS B 136 -4.680 7.093 -24.215 1.00 40.42 C ATOM 1359 C LYS B 136 -6.007 7.877 -24.314 1.00 2.12 C ATOM 1360 O LYS B 136 -6.496 8.145 -25.420 1.00 23.04 O ATOM 1361 CB LYS B 136 -4.967 5.571 -24.146 1.00 53.41 C ATOM 1362 CG LYS B 136 -3.719 4.678 -24.310 1.00 1.24 C ATOM 1363 CD LYS B 136 -4.066 3.170 -24.249 1.00 61.22 C ATOM 1364 CE LYS B 136 -2.841 2.266 -24.452 1.00 21.23 C ATOM 1365 NZ LYS B 136 -3.218 0.831 -24.535 1.00 53.11 N ATOM 0 H LYS B 136 -3.900 6.884 -22.265 1.00 64.15 H new ATOM 0 HA LYS B 136 -4.092 7.298 -25.110 1.00 40.42 H new ATOM 0 HB2 LYS B 136 -5.437 5.345 -23.189 1.00 53.41 H new ATOM 0 HB3 LYS B 136 -5.687 5.314 -24.923 1.00 53.41 H new ATOM 0 HG2 LYS B 136 -3.238 4.900 -25.263 1.00 1.24 H new ATOM 0 HG3 LYS B 136 -2.999 4.915 -23.527 1.00 1.24 H new ATOM 0 HD2 LYS B 136 -4.521 2.946 -23.284 1.00 61.22 H new ATOM 0 HD3 LYS B 136 -4.810 2.942 -25.013 1.00 61.22 H new ATOM 0 HE2 LYS B 136 -2.322 2.558 -25.365 1.00 21.23 H new ATOM 0 HE3 LYS B 136 -2.143 2.411 -23.628 1.00 21.23 H new ATOM 0 HZ1 LYS B 136 -2.363 0.255 -24.672 1.00 53.11 H new ATOM 0 HZ2 LYS B 136 -3.691 0.545 -23.654 1.00 53.11 H new ATOM 0 HZ3 LYS B 136 -3.864 0.688 -25.337 1.00 53.11 H new ATOM 1379 N ALA B 137 -6.583 8.238 -23.142 1.00 11.30 N ATOM 1380 CA ALA B 137 -7.866 8.973 -23.062 1.00 62.40 C ATOM 1381 C ALA B 137 -7.732 10.376 -23.655 1.00 63.41 C ATOM 1382 O ALA B 137 -8.688 10.886 -24.248 1.00 31.52 O ATOM 1383 CB ALA B 137 -8.373 9.051 -21.612 1.00 23.33 C ATOM 0 H ALA B 137 -6.173 8.029 -22.232 1.00 11.30 H new ATOM 0 HA ALA B 137 -8.598 8.419 -23.650 1.00 62.40 H new ATOM 0 HB1 ALA B 137 -9.316 9.596 -21.585 1.00 23.33 H new ATOM 0 HB2 ALA B 137 -8.525 8.043 -21.225 1.00 23.33 H new ATOM 0 HB3 ALA B 137 -7.637 9.569 -20.997 1.00 23.33 H new ATOM 1389 N THR B 138 -6.547 10.995 -23.480 1.00 75.43 N ATOM 1390 CA THR B 138 -6.220 12.274 -24.145 1.00 4.34 C ATOM 1391 C THR B 138 -4.707 12.339 -24.514 1.00 25.21 C ATOM 1392 O THR B 138 -4.373 12.289 -25.708 1.00 54.43 O ATOM 1393 CB THR B 138 -6.702 13.510 -23.288 1.00 62.30 C ATOM 1394 OG1 THR B 138 -6.424 14.739 -23.981 1.00 44.13 O ATOM 1395 CG2 THR B 138 -6.087 13.550 -21.884 1.00 14.45 C ATOM 0 H THR B 138 -5.802 10.632 -22.886 1.00 75.43 H new ATOM 0 HA THR B 138 -6.772 12.325 -25.084 1.00 4.34 H new ATOM 0 HB THR B 138 -7.778 13.393 -23.158 1.00 62.30 H new ATOM 0 HG1 THR B 138 -6.729 15.496 -23.439 1.00 44.13 H new ATOM 0 HG21 THR B 138 -6.459 14.423 -21.348 1.00 14.45 H new ATOM 0 HG22 THR B 138 -6.362 12.646 -21.340 1.00 14.45 H new ATOM 0 HG23 THR B 138 -5.002 13.609 -21.964 1.00 14.45 H new ATOM 1403 N GLN B 139 -3.823 12.364 -23.481 1.00 4.42 N ATOM 1404 CA GLN B 139 -2.354 12.541 -23.607 1.00 62.23 C ATOM 1405 C GLN B 139 -1.718 12.741 -22.218 1.00 71.54 C ATOM 1406 O GLN B 139 -0.506 12.569 -22.091 1.00 60.01 O ATOM 1407 CB GLN B 139 -1.914 13.716 -24.570 1.00 1.24 C ATOM 1408 CG GLN B 139 -1.935 15.159 -24.010 1.00 74.41 C ATOM 1409 CD GLN B 139 -3.324 15.712 -23.674 1.00 64.45 C ATOM 1410 OE1 GLN B 139 -3.687 15.708 -22.398 1.00 23.03 O flip ATOM 1411 NE2 GLN B 139 -4.023 16.219 -24.543 1.00 44.15 N flip ATOM 0 H GLN B 139 -4.123 12.259 -22.512 1.00 4.42 H new ATOM 0 HA GLN B 139 -1.990 11.622 -24.067 1.00 62.23 H new ATOM 0 HB2 GLN B 139 -0.901 13.505 -24.913 1.00 1.24 H new ATOM 0 HB3 GLN B 139 -2.560 13.689 -25.448 1.00 1.24 H new ATOM 0 HG2 GLN B 139 -1.322 15.190 -23.109 1.00 74.41 H new ATOM 0 HG3 GLN B 139 -1.465 15.820 -24.738 1.00 74.41 H new ATOM 0 HE21 GLN B 139 -3.717 16.206 -25.516 1.00 44.15 H new ATOM 0 HE22 GLN B 139 -4.911 16.654 -24.294 1.00 44.15 H new ATOM 1420 N ARG B 140 -2.564 13.116 -21.207 1.00 42.21 N ATOM 1421 CA ARG B 140 -2.169 13.468 -19.811 1.00 63.44 C ATOM 1422 C ARG B 140 -1.339 14.778 -19.816 1.00 34.32 C ATOM 1423 O ARG B 140 -1.178 15.416 -20.859 1.00 32.04 O ATOM 1424 CB ARG B 140 -1.465 12.271 -19.036 1.00 4.43 C ATOM 1425 CG ARG B 140 0.076 12.193 -19.171 1.00 44.10 C ATOM 1426 CD ARG B 140 0.683 10.829 -18.808 1.00 75.31 C ATOM 1427 NE ARG B 140 2.093 10.736 -19.246 1.00 41.21 N ATOM 1428 CZ ARG B 140 2.511 10.652 -20.529 1.00 63.43 C ATOM 1429 NH1 ARG B 140 1.653 10.654 -21.544 1.00 72.32 N ATOM 1430 NH2 ARG B 140 3.794 10.550 -20.780 1.00 45.42 N ATOM 0 H ARG B 140 -3.572 13.182 -21.351 1.00 42.21 H new ATOM 0 HA ARG B 140 -3.077 13.651 -19.237 1.00 63.44 H new ATOM 0 HB2 ARG B 140 -1.714 12.352 -17.978 1.00 4.43 H new ATOM 0 HB3 ARG B 140 -1.890 11.333 -19.393 1.00 4.43 H new ATOM 0 HG2 ARG B 140 0.350 12.436 -20.198 1.00 44.10 H new ATOM 0 HG3 ARG B 140 0.522 12.956 -18.533 1.00 44.10 H new ATOM 0 HD2 ARG B 140 0.624 10.677 -17.730 1.00 75.31 H new ATOM 0 HD3 ARG B 140 0.102 10.034 -19.274 1.00 75.31 H new ATOM 0 HE ARG B 140 2.809 10.735 -18.520 1.00 41.21 H new ATOM 0 HH11 ARG B 140 0.651 10.720 -21.365 1.00 72.32 H new ATOM 0 HH12 ARG B 140 1.996 10.589 -22.502 1.00 72.32 H new ATOM 0 HH21 ARG B 140 4.464 10.535 -20.011 1.00 45.42 H new ATOM 0 HH22 ARG B 140 4.122 10.486 -21.744 1.00 45.42 H new ATOM 1444 N GLN B 141 -0.849 15.202 -18.645 1.00 2.24 N ATOM 1445 CA GLN B 141 -0.016 16.431 -18.513 1.00 31.42 C ATOM 1446 C GLN B 141 1.275 16.418 -19.372 1.00 41.02 C ATOM 1447 O GLN B 141 1.918 17.457 -19.540 1.00 60.12 O ATOM 1448 CB GLN B 141 0.319 16.685 -17.029 1.00 61.14 C ATOM 1449 CG GLN B 141 0.959 15.498 -16.280 1.00 61.52 C ATOM 1450 CD GLN B 141 1.010 15.723 -14.764 1.00 64.52 C ATOM 1451 OE1 GLN B 141 1.138 16.852 -14.286 1.00 43.04 O ATOM 1452 NE2 GLN B 141 0.881 14.654 -13.996 1.00 73.00 N ATOM 0 H GLN B 141 -1.010 14.717 -17.762 1.00 2.24 H new ATOM 0 HA GLN B 141 -0.618 17.251 -18.905 1.00 31.42 H new ATOM 0 HB2 GLN B 141 0.995 17.538 -16.968 1.00 61.14 H new ATOM 0 HB3 GLN B 141 -0.597 16.967 -16.511 1.00 61.14 H new ATOM 0 HG2 GLN B 141 0.393 14.591 -16.491 1.00 61.52 H new ATOM 0 HG3 GLN B 141 1.970 15.338 -16.655 1.00 61.52 H new ATOM 0 HE21 GLN B 141 0.777 13.732 -14.419 1.00 73.00 H new ATOM 0 HE22 GLN B 141 0.886 14.752 -12.981 1.00 73.00 H new ATOM 1461 N GLU B 142 1.658 15.215 -19.836 1.00 22.02 N ATOM 1462 CA GLU B 142 2.736 14.945 -20.844 1.00 23.23 C ATOM 1463 C GLU B 142 4.119 15.494 -20.425 1.00 11.31 C ATOM 1464 O GLU B 142 5.039 15.580 -21.247 1.00 32.33 O ATOM 1465 CB GLU B 142 2.333 15.412 -22.294 1.00 44.20 C ATOM 1466 CG GLU B 142 2.337 16.936 -22.571 1.00 72.13 C ATOM 1467 CD GLU B 142 2.005 17.302 -24.031 1.00 2.52 C ATOM 1468 OE1 GLU B 142 0.816 17.298 -24.402 1.00 4.35 O ATOM 1469 OE2 GLU B 142 2.935 17.612 -24.811 1.00 21.33 O ATOM 0 H GLU B 142 1.213 14.356 -19.513 1.00 22.02 H new ATOM 0 HA GLU B 142 2.840 13.860 -20.874 1.00 23.23 H new ATOM 0 HB2 GLU B 142 3.011 14.938 -23.003 1.00 44.20 H new ATOM 0 HB3 GLU B 142 1.334 15.032 -22.506 1.00 44.20 H new ATOM 0 HG2 GLU B 142 1.615 17.418 -21.912 1.00 72.13 H new ATOM 0 HG3 GLU B 142 3.318 17.339 -22.319 1.00 72.13 H new ATOM 1476 N ARG B 143 4.260 15.813 -19.126 1.00 23.30 N ATOM 1477 CA ARG B 143 5.514 16.309 -18.530 1.00 21.31 C ATOM 1478 C ARG B 143 6.562 15.190 -18.498 1.00 3.42 C ATOM 1479 O ARG B 143 7.745 15.416 -18.773 1.00 51.11 O ATOM 1480 CB ARG B 143 5.237 16.831 -17.100 1.00 13.12 C ATOM 1481 CG ARG B 143 4.244 18.014 -17.037 1.00 45.45 C ATOM 1482 CD ARG B 143 3.904 18.422 -15.596 1.00 40.44 C ATOM 1483 NE ARG B 143 5.098 18.785 -14.810 1.00 32.45 N ATOM 1484 CZ ARG B 143 5.094 19.089 -13.499 1.00 23.24 C ATOM 1485 NH1 ARG B 143 3.967 19.086 -12.794 1.00 43.42 N ATOM 1486 NH2 ARG B 143 6.232 19.413 -12.904 1.00 72.54 N ATOM 0 H ARG B 143 3.498 15.733 -18.453 1.00 23.30 H new ATOM 0 HA ARG B 143 5.902 17.127 -19.137 1.00 21.31 H new ATOM 0 HB2 ARG B 143 4.847 16.012 -16.496 1.00 13.12 H new ATOM 0 HB3 ARG B 143 6.180 17.139 -16.649 1.00 13.12 H new ATOM 0 HG2 ARG B 143 4.669 18.869 -17.562 1.00 45.45 H new ATOM 0 HG3 ARG B 143 3.327 17.742 -17.560 1.00 45.45 H new ATOM 0 HD2 ARG B 143 3.216 19.267 -15.615 1.00 40.44 H new ATOM 0 HD3 ARG B 143 3.386 17.600 -15.103 1.00 40.44 H new ATOM 0 HE ARG B 143 5.994 18.807 -15.297 1.00 32.45 H new ATOM 0 HH11 ARG B 143 3.083 18.850 -13.246 1.00 43.42 H new ATOM 0 HH12 ARG B 143 3.986 19.319 -11.801 1.00 43.42 H new ATOM 0 HH21 ARG B 143 7.100 19.430 -13.439 1.00 72.54 H new ATOM 0 HH22 ARG B 143 6.240 19.645 -11.911 1.00 72.54 H new ATOM 1500 N PHE B 144 6.096 13.987 -18.150 1.00 61.23 N ATOM 1501 CA PHE B 144 6.907 12.768 -18.124 1.00 72.44 C ATOM 1502 C PHE B 144 6.062 11.607 -18.690 1.00 4.14 C ATOM 1503 O PHE B 144 5.004 11.293 -18.100 1.00 22.21 O ATOM 1504 CB PHE B 144 7.390 12.471 -16.675 1.00 51.04 C ATOM 1505 CG PHE B 144 8.367 11.294 -16.574 1.00 42.40 C ATOM 1506 CD1 PHE B 144 9.710 11.459 -16.925 1.00 64.23 C ATOM 1507 CD2 PHE B 144 7.950 10.031 -16.132 1.00 41.44 C ATOM 1508 CE1 PHE B 144 10.599 10.402 -16.845 1.00 53.51 C ATOM 1509 CE2 PHE B 144 8.843 8.979 -16.054 1.00 2.24 C ATOM 1510 CZ PHE B 144 10.166 9.165 -16.408 1.00 4.30 C ATOM 0 H PHE B 144 5.127 13.831 -17.874 1.00 61.23 H new ATOM 0 HA PHE B 144 7.798 12.893 -18.740 1.00 72.44 H new ATOM 0 HB2 PHE B 144 7.869 13.363 -16.272 1.00 51.04 H new ATOM 0 HB3 PHE B 144 6.522 12.265 -16.049 1.00 51.04 H new ATOM 0 HD1 PHE B 144 10.058 12.424 -17.263 1.00 64.23 H new ATOM 0 HD2 PHE B 144 6.919 9.878 -15.849 1.00 41.44 H new ATOM 0 HE1 PHE B 144 11.633 10.544 -17.124 1.00 53.51 H new ATOM 0 HE2 PHE B 144 8.506 8.010 -15.716 1.00 2.24 H new ATOM 0 HZ PHE B 144 10.862 8.342 -16.343 1.00 4.30 H new TER 1520 PHE B 144