USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1084 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 49 THR OG1 : rot 180:sc= 0.00198 USER MOD Set 1.2: A 52 LYS NZ :NH3+ 178:sc= 1.18 (180deg=1.18) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -167:sc= -0.0513 (180deg=-0.233) USER MOD Single : A 15 THR OG1 : rot -87:sc= 1.14 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.412 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.632 K(o=0.63,f=-7.5!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -131:sc= 0.0793 USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= 1.03 (180deg=1.01) USER MOD Single : A 42 THR OG1 : rot 100:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.188 K(o=-0.19,f=-7.8!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 128:sc= 0.823 USER MOD Single : A 62 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0155) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 36:sc= 0.0454 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -75:sc= 1.25 USER MOD Single : A 77 HIS : no HD1:sc= -0.0542 X(o=-0.054,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0418 USER MOD Single : A 81 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.11) USER MOD Single : A 85 HIS : no HD1:sc= -0.261 K(o=-0.26,f=-1) USER MOD Single : A 86 LYS NZ :NH3+ -158:sc= 0.785 (180deg=0.378) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.0437 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot -90:sc= 1.31 USER MOD Single : A 115 CYS SG : rot -92:sc= 0.859 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -0.178 K(o=-0.18,f=-1) USER MOD Single : A 120 TYR OH : rot 180:sc= 0.836 USER MOD Single : A 121 ASN : amide:sc= 0.431 K(o=0.43,f=-5!) USER MOD Single : A 127 ASN : amide:sc= -0.307 X(o=-0.31,f=0) USER MOD Single : A 132 THR OG1 : rot 79:sc= 0.191 USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 137 GLN : amide:sc= -0.0239 K(o=-0.024,f=-1.2!) USER MOD Single : A 140 ASN : amide:sc= 0.861 K(o=0.86,f=-5.9!) USER MOD Single : A 141 LYS NZ :NH3+ -163:sc= 0.981 (180deg=0.458) USER MOD Single : A 147 HIS : no HE2:sc= 0.243 K(o=0.24,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 33 N GLU A 4 22.603 5.000 -5.447 1.00 30.15 N ATOM 34 CA GLU A 4 21.175 4.814 -5.339 1.00 63.04 C ATOM 35 C GLU A 4 20.842 4.404 -3.905 1.00 52.54 C ATOM 36 O GLU A 4 21.718 4.143 -3.070 1.00 25.13 O ATOM 37 CB GLU A 4 20.671 3.809 -6.394 1.00 30.12 C ATOM 38 CG GLU A 4 21.103 4.104 -7.848 1.00 22.22 C ATOM 39 CD GLU A 4 21.721 2.928 -8.634 1.00 54.41 C ATOM 40 OE1 GLU A 4 22.213 1.951 -8.028 1.00 52.22 O ATOM 41 OE2 GLU A 4 21.717 2.991 -9.889 1.00 43.51 O ATOM 0 HA GLU A 4 20.652 5.747 -5.550 1.00 63.04 H new ATOM 0 HB2 GLU A 4 21.025 2.814 -6.122 1.00 30.12 H new ATOM 0 HB3 GLU A 4 19.582 3.782 -6.355 1.00 30.12 H new ATOM 0 HG2 GLU A 4 20.232 4.461 -8.397 1.00 22.22 H new ATOM 0 HG3 GLU A 4 21.825 4.920 -7.831 1.00 22.22 H new ATOM 48 N GLU A 5 19.554 4.423 -3.604 1.00 70.33 N ATOM 49 CA GLU A 5 18.925 4.023 -2.369 1.00 53.30 C ATOM 50 C GLU A 5 18.678 2.513 -2.477 1.00 11.24 C ATOM 51 O GLU A 5 18.436 1.998 -3.569 1.00 72.44 O ATOM 52 CB GLU A 5 17.642 4.868 -2.294 1.00 25.43 C ATOM 53 CG GLU A 5 16.958 4.943 -0.929 1.00 5.35 C ATOM 54 CD GLU A 5 17.315 6.264 -0.231 1.00 64.32 C ATOM 55 OE1 GLU A 5 18.471 6.369 0.265 1.00 42.51 O ATOM 56 OE2 GLU A 5 16.474 7.192 -0.225 1.00 71.44 O ATOM 0 H GLU A 5 18.866 4.749 -4.283 1.00 70.33 H new ATOM 0 HA GLU A 5 19.504 4.186 -1.460 1.00 53.30 H new ATOM 0 HB2 GLU A 5 17.882 5.882 -2.613 1.00 25.43 H new ATOM 0 HB3 GLU A 5 16.927 4.469 -3.013 1.00 25.43 H new ATOM 0 HG2 GLU A 5 15.877 4.867 -1.051 1.00 5.35 H new ATOM 0 HG3 GLU A 5 17.269 4.101 -0.311 1.00 5.35 H new ATOM 63 N ASP A 6 18.782 1.781 -1.373 1.00 72.14 N ATOM 64 CA ASP A 6 18.857 0.321 -1.390 1.00 34.22 C ATOM 65 C ASP A 6 17.546 -0.303 -0.909 1.00 24.45 C ATOM 66 O ASP A 6 16.978 0.158 0.076 1.00 51.24 O ATOM 67 CB ASP A 6 20.011 -0.126 -0.495 1.00 21.33 C ATOM 68 CG ASP A 6 19.959 -1.633 -0.333 1.00 4.15 C ATOM 69 OD1 ASP A 6 20.384 -2.325 -1.287 1.00 64.20 O ATOM 70 OD2 ASP A 6 19.419 -2.061 0.711 1.00 52.53 O ATOM 0 H ASP A 6 18.817 2.183 -0.436 1.00 72.14 H new ATOM 0 HA ASP A 6 19.028 -0.013 -2.413 1.00 34.22 H new ATOM 0 HB2 ASP A 6 20.964 0.172 -0.933 1.00 21.33 H new ATOM 0 HB3 ASP A 6 19.942 0.359 0.478 1.00 21.33 H new ATOM 75 N PHE A 7 17.080 -1.359 -1.579 1.00 5.11 N ATOM 76 CA PHE A 7 15.794 -2.026 -1.358 1.00 44.24 C ATOM 77 C PHE A 7 15.564 -2.534 0.074 1.00 13.54 C ATOM 78 O PHE A 7 14.414 -2.699 0.483 1.00 73.43 O ATOM 79 CB PHE A 7 15.618 -3.177 -2.356 1.00 73.03 C ATOM 80 CG PHE A 7 16.431 -4.429 -2.078 1.00 2.24 C ATOM 81 CD1 PHE A 7 15.949 -5.395 -1.173 1.00 21.04 C ATOM 82 CD2 PHE A 7 17.650 -4.648 -2.744 1.00 25.05 C ATOM 83 CE1 PHE A 7 16.673 -6.576 -0.941 1.00 71.01 C ATOM 84 CE2 PHE A 7 18.366 -5.833 -2.511 1.00 5.41 C ATOM 85 CZ PHE A 7 17.881 -6.800 -1.620 1.00 10.12 C ATOM 0 H PHE A 7 17.617 -1.795 -2.329 1.00 5.11 H new ATOM 0 HA PHE A 7 15.040 -1.256 -1.518 1.00 44.24 H new ATOM 0 HB2 PHE A 7 14.563 -3.451 -2.382 1.00 73.03 H new ATOM 0 HB3 PHE A 7 15.877 -2.813 -3.350 1.00 73.03 H new ATOM 0 HD1 PHE A 7 15.017 -5.226 -0.654 1.00 21.04 H new ATOM 0 HD2 PHE A 7 18.033 -3.908 -3.431 1.00 25.05 H new ATOM 0 HE1 PHE A 7 16.301 -7.310 -0.242 1.00 71.01 H new ATOM 0 HE2 PHE A 7 19.301 -6.001 -3.024 1.00 5.41 H new ATOM 0 HZ PHE A 7 18.434 -7.713 -1.457 1.00 10.12 H new ATOM 95 N LYS A 8 16.616 -2.777 0.858 1.00 44.43 N ATOM 96 CA LYS A 8 16.504 -3.145 2.264 1.00 14.45 C ATOM 97 C LYS A 8 16.587 -1.878 3.100 1.00 22.43 C ATOM 98 O LYS A 8 15.715 -1.621 3.930 1.00 44.13 O ATOM 99 CB LYS A 8 17.615 -4.152 2.588 1.00 72.40 C ATOM 100 CG LYS A 8 17.855 -4.338 4.087 1.00 11.22 C ATOM 101 CD LYS A 8 18.961 -5.373 4.262 1.00 53.51 C ATOM 102 CE LYS A 8 19.044 -5.802 5.715 1.00 73.34 C ATOM 103 NZ LYS A 8 19.995 -6.907 5.867 1.00 44.10 N ATOM 0 H LYS A 8 17.579 -2.722 0.527 1.00 44.43 H new ATOM 0 HA LYS A 8 15.551 -3.623 2.491 1.00 14.45 H new ATOM 0 HB2 LYS A 8 17.360 -5.116 2.147 1.00 72.40 H new ATOM 0 HB3 LYS A 8 18.542 -3.822 2.118 1.00 72.40 H new ATOM 0 HG2 LYS A 8 18.142 -3.392 4.547 1.00 11.22 H new ATOM 0 HG3 LYS A 8 16.942 -4.669 4.581 1.00 11.22 H new ATOM 0 HD2 LYS A 8 18.764 -6.238 3.629 1.00 53.51 H new ATOM 0 HD3 LYS A 8 19.916 -4.955 3.942 1.00 53.51 H new ATOM 0 HE2 LYS A 8 19.354 -4.959 6.333 1.00 73.34 H new ATOM 0 HE3 LYS A 8 18.059 -6.110 6.067 1.00 73.34 H new ATOM 0 HZ1 LYS A 8 20.041 -7.190 6.867 1.00 44.10 H new ATOM 0 HZ2 LYS A 8 19.682 -7.716 5.292 1.00 44.10 H new ATOM 0 HZ3 LYS A 8 20.937 -6.600 5.550 1.00 44.10 H new ATOM 117 N THR A 9 17.649 -1.098 2.936 1.00 11.33 N ATOM 118 CA THR A 9 17.880 0.075 3.766 1.00 70.10 C ATOM 119 C THR A 9 16.714 1.070 3.648 1.00 14.12 C ATOM 120 O THR A 9 16.302 1.660 4.652 1.00 22.43 O ATOM 121 CB THR A 9 19.225 0.686 3.360 1.00 31.44 C ATOM 122 OG1 THR A 9 20.257 -0.279 3.478 1.00 13.14 O ATOM 123 CG2 THR A 9 19.616 1.906 4.196 1.00 62.02 C ATOM 0 H THR A 9 18.367 -1.260 2.230 1.00 11.33 H new ATOM 0 HA THR A 9 17.925 -0.202 4.819 1.00 70.10 H new ATOM 0 HB THR A 9 19.103 1.012 2.327 1.00 31.44 H new ATOM 0 HG1 THR A 9 21.111 0.122 3.214 1.00 13.14 H new ATOM 0 HG21 THR A 9 20.578 2.288 3.855 1.00 62.02 H new ATOM 0 HG22 THR A 9 18.858 2.681 4.085 1.00 62.02 H new ATOM 0 HG23 THR A 9 19.691 1.619 5.245 1.00 62.02 H new ATOM 131 N PHE A 10 16.138 1.247 2.452 1.00 3.13 N ATOM 132 CA PHE A 10 15.075 2.223 2.255 1.00 14.54 C ATOM 133 C PHE A 10 13.817 1.708 2.968 1.00 64.40 C ATOM 134 O PHE A 10 13.075 2.509 3.530 1.00 64.44 O ATOM 135 CB PHE A 10 14.797 2.533 0.765 1.00 42.14 C ATOM 136 CG PHE A 10 13.647 1.795 0.100 1.00 41.54 C ATOM 137 CD1 PHE A 10 13.665 0.400 -0.039 1.00 22.05 C ATOM 138 CD2 PHE A 10 12.526 2.517 -0.356 1.00 65.34 C ATOM 139 CE1 PHE A 10 12.576 -0.277 -0.613 1.00 23.41 C ATOM 140 CE2 PHE A 10 11.446 1.841 -0.946 1.00 2.43 C ATOM 141 CZ PHE A 10 11.463 0.445 -1.066 1.00 23.54 C ATOM 0 H PHE A 10 16.394 0.726 1.613 1.00 3.13 H new ATOM 0 HA PHE A 10 15.393 3.173 2.684 1.00 14.54 H new ATOM 0 HB2 PHE A 10 14.609 3.603 0.673 1.00 42.14 H new ATOM 0 HB3 PHE A 10 15.705 2.319 0.201 1.00 42.14 H new ATOM 0 HD1 PHE A 10 14.525 -0.160 0.299 1.00 22.05 H new ATOM 0 HD2 PHE A 10 12.498 3.592 -0.252 1.00 65.34 H new ATOM 0 HE1 PHE A 10 12.596 -1.353 -0.705 1.00 23.41 H new ATOM 0 HE2 PHE A 10 10.597 2.401 -1.310 1.00 2.43 H new ATOM 0 HZ PHE A 10 10.623 -0.072 -1.505 1.00 23.54 H new ATOM 151 N LEU A 11 13.616 0.382 3.017 1.00 4.33 N ATOM 152 CA LEU A 11 12.492 -0.281 3.669 1.00 71.02 C ATOM 153 C LEU A 11 12.520 0.021 5.162 1.00 62.44 C ATOM 154 O LEU A 11 11.523 0.481 5.723 1.00 61.11 O ATOM 155 CB LEU A 11 12.544 -1.808 3.427 1.00 5.41 C ATOM 156 CG LEU A 11 11.407 -2.361 2.559 1.00 74.31 C ATOM 157 CD1 LEU A 11 11.579 -3.877 2.420 1.00 51.22 C ATOM 158 CD2 LEU A 11 10.016 -2.089 3.135 1.00 41.22 C ATOM 0 H LEU A 11 14.262 -0.278 2.584 1.00 4.33 H new ATOM 0 HA LEU A 11 11.562 0.097 3.243 1.00 71.02 H new ATOM 0 HB2 LEU A 11 13.495 -2.055 2.955 1.00 5.41 H new ATOM 0 HB3 LEU A 11 12.526 -2.315 4.392 1.00 5.41 H new ATOM 0 HG LEU A 11 11.470 -1.852 1.597 1.00 74.31 H new ATOM 0 HD11 LEU A 11 10.775 -4.279 1.804 1.00 51.22 H new ATOM 0 HD12 LEU A 11 12.539 -4.093 1.950 1.00 51.22 H new ATOM 0 HD13 LEU A 11 11.546 -4.339 3.407 1.00 51.22 H new ATOM 0 HD21 LEU A 11 9.259 -2.507 2.471 1.00 41.22 H new ATOM 0 HD22 LEU A 11 9.932 -2.552 4.118 1.00 41.22 H new ATOM 0 HD23 LEU A 11 9.864 -1.014 3.227 1.00 41.22 H new ATOM 170 N GLN A 12 13.687 -0.158 5.791 1.00 52.33 N ATOM 171 CA GLN A 12 13.891 0.149 7.204 1.00 3.51 C ATOM 172 C GLN A 12 13.477 1.592 7.529 1.00 73.01 C ATOM 173 O GLN A 12 12.935 1.862 8.596 1.00 70.13 O ATOM 174 CB GLN A 12 15.359 -0.086 7.596 1.00 25.03 C ATOM 175 CG GLN A 12 15.773 -1.564 7.528 1.00 34.01 C ATOM 176 CD GLN A 12 17.137 -1.814 8.159 1.00 10.21 C ATOM 177 OE1 GLN A 12 18.085 -2.234 7.492 1.00 61.12 O ATOM 178 NE2 GLN A 12 17.293 -1.568 9.448 1.00 23.41 N ATOM 0 H GLN A 12 14.519 -0.522 5.328 1.00 52.33 H new ATOM 0 HA GLN A 12 13.257 -0.520 7.786 1.00 3.51 H new ATOM 0 HB2 GLN A 12 16.002 0.496 6.936 1.00 25.03 H new ATOM 0 HB3 GLN A 12 15.522 0.284 8.608 1.00 25.03 H new ATOM 0 HG2 GLN A 12 15.024 -2.172 8.035 1.00 34.01 H new ATOM 0 HG3 GLN A 12 15.793 -1.886 6.487 1.00 34.01 H new ATOM 0 HE21 GLN A 12 16.508 -1.221 9.999 1.00 23.41 H new ATOM 0 HE22 GLN A 12 18.198 -1.726 9.891 1.00 23.41 H new ATOM 187 N LYS A 13 13.699 2.525 6.602 1.00 10.43 N ATOM 188 CA LYS A 13 13.365 3.938 6.773 1.00 61.22 C ATOM 189 C LYS A 13 11.887 4.188 6.503 1.00 51.24 C ATOM 190 O LYS A 13 11.231 4.904 7.262 1.00 22.11 O ATOM 191 CB LYS A 13 14.248 4.751 5.820 1.00 70.24 C ATOM 192 CG LYS A 13 15.699 4.695 6.295 1.00 71.32 C ATOM 193 CD LYS A 13 16.633 5.180 5.194 1.00 65.43 C ATOM 194 CE LYS A 13 18.081 5.110 5.673 1.00 4.54 C ATOM 195 NZ LYS A 13 18.343 5.958 6.857 1.00 22.15 N ATOM 0 H LYS A 13 14.122 2.316 5.698 1.00 10.43 H new ATOM 0 HA LYS A 13 13.551 4.244 7.803 1.00 61.22 H new ATOM 0 HB2 LYS A 13 14.170 4.354 4.808 1.00 70.24 H new ATOM 0 HB3 LYS A 13 13.906 5.785 5.784 1.00 70.24 H new ATOM 0 HG2 LYS A 13 15.822 5.313 7.184 1.00 71.32 H new ATOM 0 HG3 LYS A 13 15.957 3.675 6.578 1.00 71.32 H new ATOM 0 HD2 LYS A 13 16.506 4.567 4.301 1.00 65.43 H new ATOM 0 HD3 LYS A 13 16.382 6.204 4.917 1.00 65.43 H new ATOM 0 HE2 LYS A 13 18.328 4.076 5.912 1.00 4.54 H new ATOM 0 HE3 LYS A 13 18.741 5.416 4.861 1.00 4.54 H new ATOM 0 HZ1 LYS A 13 19.369 6.044 7.002 1.00 22.15 H new ATOM 0 HZ2 LYS A 13 17.934 6.902 6.705 1.00 22.15 H new ATOM 0 HZ3 LYS A 13 17.910 5.524 7.697 1.00 22.15 H new ATOM 209 N PHE A 14 11.369 3.640 5.407 1.00 65.21 N ATOM 210 CA PHE A 14 9.998 3.791 4.938 1.00 65.34 C ATOM 211 C PHE A 14 9.003 3.353 6.012 1.00 44.24 C ATOM 212 O PHE A 14 7.993 4.023 6.213 1.00 4.45 O ATOM 213 CB PHE A 14 9.852 3.000 3.626 1.00 5.13 C ATOM 214 CG PHE A 14 8.557 3.191 2.858 1.00 2.43 C ATOM 215 CD1 PHE A 14 8.205 4.460 2.355 1.00 61.42 C ATOM 216 CD2 PHE A 14 7.751 2.078 2.559 1.00 62.41 C ATOM 217 CE1 PHE A 14 7.061 4.607 1.548 1.00 30.31 C ATOM 218 CE2 PHE A 14 6.595 2.229 1.773 1.00 65.11 C ATOM 219 CZ PHE A 14 6.250 3.493 1.266 1.00 51.11 C ATOM 0 H PHE A 14 11.925 3.048 4.791 1.00 65.21 H new ATOM 0 HA PHE A 14 9.772 4.838 4.739 1.00 65.34 H new ATOM 0 HB2 PHE A 14 10.680 3.271 2.971 1.00 5.13 H new ATOM 0 HB3 PHE A 14 9.960 1.940 3.854 1.00 5.13 H new ATOM 0 HD1 PHE A 14 8.814 5.321 2.589 1.00 61.42 H new ATOM 0 HD2 PHE A 14 8.021 1.102 2.935 1.00 62.41 H new ATOM 0 HE1 PHE A 14 6.806 5.576 1.145 1.00 30.31 H new ATOM 0 HE2 PHE A 14 5.972 1.373 1.559 1.00 65.11 H new ATOM 0 HZ PHE A 14 5.363 3.609 0.661 1.00 51.11 H new ATOM 229 N THR A 15 9.317 2.273 6.722 1.00 32.32 N ATOM 230 CA THR A 15 8.488 1.667 7.759 1.00 21.31 C ATOM 231 C THR A 15 8.530 2.435 9.095 1.00 31.33 C ATOM 232 O THR A 15 7.794 2.089 10.021 1.00 30.45 O ATOM 233 CB THR A 15 8.943 0.201 7.918 1.00 42.20 C ATOM 234 OG1 THR A 15 10.338 0.108 8.163 1.00 14.31 O ATOM 235 CG2 THR A 15 8.641 -0.611 6.658 1.00 61.21 C ATOM 0 H THR A 15 10.196 1.774 6.584 1.00 32.32 H new ATOM 0 HA THR A 15 7.442 1.710 7.455 1.00 21.31 H new ATOM 0 HB THR A 15 8.390 -0.197 8.769 1.00 42.20 H new ATOM 0 HG1 THR A 15 10.819 0.088 7.310 1.00 14.31 H new ATOM 0 HG21 THR A 15 8.973 -1.640 6.800 1.00 61.21 H new ATOM 0 HG22 THR A 15 7.568 -0.599 6.466 1.00 61.21 H new ATOM 0 HG23 THR A 15 9.167 -0.174 5.809 1.00 61.21 H new ATOM 243 N SER A 16 9.371 3.470 9.221 1.00 14.51 N ATOM 244 CA SER A 16 9.792 4.037 10.501 1.00 62.23 C ATOM 245 C SER A 16 9.629 5.561 10.546 1.00 52.20 C ATOM 246 O SER A 16 10.084 6.186 11.500 1.00 50.20 O ATOM 247 CB SER A 16 11.237 3.560 10.757 1.00 70.11 C ATOM 248 OG SER A 16 11.565 3.437 12.128 1.00 3.14 O ATOM 0 H SER A 16 9.784 3.943 8.417 1.00 14.51 H new ATOM 0 HA SER A 16 9.149 3.685 11.308 1.00 62.23 H new ATOM 0 HB2 SER A 16 11.382 2.595 10.271 1.00 70.11 H new ATOM 0 HB3 SER A 16 11.929 4.260 10.289 1.00 70.11 H new ATOM 0 HG SER A 16 12.492 3.130 12.216 1.00 3.14 H new ATOM 254 N SER A 17 8.985 6.171 9.543 1.00 70.44 N ATOM 255 CA SER A 17 8.652 7.586 9.559 1.00 2.34 C ATOM 256 C SER A 17 7.441 7.824 8.664 1.00 71.20 C ATOM 257 O SER A 17 7.509 7.570 7.459 1.00 42.33 O ATOM 258 CB SER A 17 9.855 8.394 9.087 1.00 1.21 C ATOM 259 OG SER A 17 9.530 9.752 8.833 1.00 2.35 O ATOM 0 H SER A 17 8.682 5.688 8.697 1.00 70.44 H new ATOM 0 HA SER A 17 8.402 7.906 10.571 1.00 2.34 H new ATOM 0 HB2 SER A 17 10.640 8.346 9.842 1.00 1.21 H new ATOM 0 HB3 SER A 17 10.258 7.944 8.180 1.00 1.21 H new ATOM 0 HG SER A 17 10.332 10.230 8.535 1.00 2.35 H new ATOM 265 N ALA A 18 6.359 8.353 9.234 1.00 22.21 N ATOM 266 CA ALA A 18 5.176 8.783 8.501 1.00 61.43 C ATOM 267 C ALA A 18 5.545 9.866 7.490 1.00 54.13 C ATOM 268 O ALA A 18 5.180 9.772 6.320 1.00 52.14 O ATOM 269 CB ALA A 18 4.122 9.289 9.492 1.00 11.31 C ATOM 0 H ALA A 18 6.282 8.496 10.241 1.00 22.21 H new ATOM 0 HA ALA A 18 4.761 7.940 7.949 1.00 61.43 H new ATOM 0 HB1 ALA A 18 3.235 9.612 8.947 1.00 11.31 H new ATOM 0 HB2 ALA A 18 3.854 8.486 10.179 1.00 11.31 H new ATOM 0 HB3 ALA A 18 4.527 10.129 10.056 1.00 11.31 H new ATOM 275 N SER A 19 6.275 10.898 7.915 1.00 21.34 N ATOM 276 CA SER A 19 6.627 11.999 7.029 1.00 34.51 C ATOM 277 C SER A 19 7.513 11.528 5.871 1.00 42.12 C ATOM 278 O SER A 19 7.244 11.902 4.729 1.00 3.01 O ATOM 279 CB SER A 19 7.245 13.134 7.845 1.00 61.23 C ATOM 280 OG SER A 19 6.240 13.633 8.717 1.00 63.10 O ATOM 0 H SER A 19 6.632 10.991 8.866 1.00 21.34 H new ATOM 0 HA SER A 19 5.725 12.390 6.558 1.00 34.51 H new ATOM 0 HB2 SER A 19 8.102 12.774 8.415 1.00 61.23 H new ATOM 0 HB3 SER A 19 7.609 13.924 7.188 1.00 61.23 H new ATOM 0 HG SER A 19 6.608 14.364 9.257 1.00 63.10 H new ATOM 286 N PHE A 20 8.515 10.675 6.115 1.00 4.04 N ATOM 287 CA PHE A 20 9.320 10.101 5.039 1.00 23.55 C ATOM 288 C PHE A 20 8.456 9.237 4.117 1.00 13.32 C ATOM 289 O PHE A 20 8.602 9.345 2.901 1.00 72.11 O ATOM 290 CB PHE A 20 10.471 9.280 5.626 1.00 61.20 C ATOM 291 CG PHE A 20 11.411 8.644 4.615 1.00 70.40 C ATOM 292 CD1 PHE A 20 12.552 9.328 4.157 1.00 53.21 C ATOM 293 CD2 PHE A 20 11.171 7.330 4.173 1.00 34.13 C ATOM 294 CE1 PHE A 20 13.455 8.690 3.286 1.00 10.15 C ATOM 295 CE2 PHE A 20 12.077 6.686 3.312 1.00 70.42 C ATOM 296 CZ PHE A 20 13.230 7.363 2.878 1.00 62.12 C ATOM 0 H PHE A 20 8.785 10.369 7.050 1.00 4.04 H new ATOM 0 HA PHE A 20 9.737 10.914 4.445 1.00 23.55 H new ATOM 0 HB2 PHE A 20 11.055 9.925 6.282 1.00 61.20 H new ATOM 0 HB3 PHE A 20 10.049 8.491 6.249 1.00 61.20 H new ATOM 0 HD1 PHE A 20 12.735 10.344 4.474 1.00 53.21 H new ATOM 0 HD2 PHE A 20 10.282 6.811 4.498 1.00 34.13 H new ATOM 0 HE1 PHE A 20 14.325 9.222 2.929 1.00 10.15 H new ATOM 0 HE2 PHE A 20 11.888 5.674 2.985 1.00 70.42 H new ATOM 0 HZ PHE A 20 13.940 6.866 2.234 1.00 62.12 H new ATOM 306 N GLN A 21 7.565 8.404 4.676 1.00 30.42 N ATOM 307 CA GLN A 21 6.617 7.580 3.930 1.00 45.11 C ATOM 308 C GLN A 21 5.854 8.451 2.923 1.00 24.15 C ATOM 309 O GLN A 21 5.921 8.207 1.716 1.00 51.22 O ATOM 310 CB GLN A 21 5.694 6.813 4.881 1.00 22.33 C ATOM 311 CG GLN A 21 4.782 5.877 4.077 1.00 30.15 C ATOM 312 CD GLN A 21 4.329 4.652 4.853 1.00 63.10 C ATOM 313 OE1 GLN A 21 3.151 4.324 4.821 1.00 13.35 O ATOM 314 NE2 GLN A 21 5.237 3.939 5.497 1.00 24.45 N ATOM 0 H GLN A 21 7.486 8.286 5.686 1.00 30.42 H new ATOM 0 HA GLN A 21 7.158 6.824 3.360 1.00 45.11 H new ATOM 0 HB2 GLN A 21 6.286 6.237 5.592 1.00 22.33 H new ATOM 0 HB3 GLN A 21 5.092 7.512 5.461 1.00 22.33 H new ATOM 0 HG2 GLN A 21 3.904 6.433 3.748 1.00 30.15 H new ATOM 0 HG3 GLN A 21 5.309 5.553 3.179 1.00 30.15 H new ATOM 0 HE21 GLN A 21 6.211 4.241 5.504 1.00 24.45 H new ATOM 0 HE22 GLN A 21 4.963 3.087 5.987 1.00 24.45 H new ATOM 323 N TYR A 22 5.176 9.496 3.410 1.00 51.42 N ATOM 324 CA TYR A 22 4.422 10.428 2.579 1.00 42.20 C ATOM 325 C TYR A 22 5.318 11.094 1.527 1.00 63.33 C ATOM 326 O TYR A 22 4.923 11.218 0.362 1.00 22.12 O ATOM 327 CB TYR A 22 3.702 11.463 3.456 1.00 10.41 C ATOM 328 CG TYR A 22 2.450 10.945 4.142 1.00 22.32 C ATOM 329 CD1 TYR A 22 1.368 10.500 3.359 1.00 51.12 C ATOM 330 CD2 TYR A 22 2.341 10.936 5.547 1.00 72.22 C ATOM 331 CE1 TYR A 22 0.189 10.043 3.968 1.00 43.02 C ATOM 332 CE2 TYR A 22 1.169 10.463 6.167 1.00 43.00 C ATOM 333 CZ TYR A 22 0.086 10.021 5.378 1.00 12.04 C ATOM 334 OH TYR A 22 -1.065 9.592 5.956 1.00 21.13 O ATOM 0 H TYR A 22 5.138 9.717 4.405 1.00 51.42 H new ATOM 0 HA TYR A 22 3.664 9.866 2.034 1.00 42.20 H new ATOM 0 HB2 TYR A 22 4.396 11.822 4.216 1.00 10.41 H new ATOM 0 HB3 TYR A 22 3.434 12.321 2.839 1.00 10.41 H new ATOM 0 HD1 TYR A 22 1.446 10.510 2.282 1.00 51.12 H new ATOM 0 HD2 TYR A 22 3.161 11.294 6.152 1.00 72.22 H new ATOM 0 HE1 TYR A 22 -0.639 9.708 3.360 1.00 43.02 H new ATOM 0 HE2 TYR A 22 1.099 10.438 7.244 1.00 43.00 H new ATOM 0 HH TYR A 22 -0.977 9.636 6.931 1.00 21.13 H new ATOM 344 N SER A 23 6.543 11.477 1.896 1.00 75.42 N ATOM 345 CA SER A 23 7.499 12.126 1.007 1.00 3.25 C ATOM 346 C SER A 23 8.152 11.165 -0.008 1.00 0.11 C ATOM 347 O SER A 23 9.130 11.542 -0.664 1.00 74.10 O ATOM 348 CB SER A 23 8.522 12.901 1.856 1.00 20.11 C ATOM 349 OG SER A 23 8.985 14.065 1.186 1.00 34.32 O ATOM 0 H SER A 23 6.901 11.340 2.841 1.00 75.42 H new ATOM 0 HA SER A 23 6.958 12.832 0.377 1.00 3.25 H new ATOM 0 HB2 SER A 23 8.067 13.184 2.805 1.00 20.11 H new ATOM 0 HB3 SER A 23 9.368 12.254 2.088 1.00 20.11 H new ATOM 0 HG SER A 23 9.632 14.534 1.754 1.00 34.32 H new ATOM 355 N ARG A 24 7.658 9.929 -0.169 1.00 73.52 N ATOM 356 CA ARG A 24 8.212 8.931 -1.085 1.00 14.35 C ATOM 357 C ARG A 24 7.144 8.385 -2.042 1.00 13.33 C ATOM 358 O ARG A 24 7.298 7.287 -2.570 1.00 64.11 O ATOM 359 CB ARG A 24 8.949 7.838 -0.275 1.00 25.52 C ATOM 360 CG ARG A 24 10.473 7.889 -0.483 1.00 71.30 C ATOM 361 CD ARG A 24 11.146 9.082 0.215 1.00 44.40 C ATOM 362 NE ARG A 24 11.977 9.882 -0.707 1.00 72.20 N ATOM 363 CZ ARG A 24 13.286 9.730 -0.962 1.00 21.22 C ATOM 364 NH1 ARG A 24 13.972 8.723 -0.408 1.00 72.03 N ATOM 365 NH2 ARG A 24 13.886 10.600 -1.770 1.00 24.14 N ATOM 0 H ARG A 24 6.845 9.592 0.346 1.00 73.52 H new ATOM 0 HA ARG A 24 8.951 9.401 -1.734 1.00 14.35 H new ATOM 0 HB2 ARG A 24 8.724 7.960 0.785 1.00 25.52 H new ATOM 0 HB3 ARG A 24 8.576 6.857 -0.569 1.00 25.52 H new ATOM 0 HG2 ARG A 24 10.914 6.964 -0.111 1.00 71.30 H new ATOM 0 HG3 ARG A 24 10.685 7.936 -1.551 1.00 71.30 H new ATOM 0 HD2 ARG A 24 10.380 9.720 0.655 1.00 44.40 H new ATOM 0 HD3 ARG A 24 11.766 8.717 1.034 1.00 44.40 H new ATOM 0 HE ARG A 24 11.503 10.635 -1.206 1.00 72.20 H new ATOM 0 HH11 ARG A 24 13.500 8.065 0.212 1.00 72.03 H new ATOM 0 HH12 ARG A 24 14.967 8.614 -0.606 1.00 72.03 H new ATOM 0 HH21 ARG A 24 13.352 11.365 -2.183 1.00 24.14 H new ATOM 0 HH22 ARG A 24 14.880 10.502 -1.977 1.00 24.14 H new ATOM 379 N ILE A 25 6.038 9.101 -2.262 1.00 12.12 N ATOM 380 CA ILE A 25 4.915 8.651 -3.089 1.00 65.53 C ATOM 381 C ILE A 25 4.622 9.728 -4.138 1.00 21.51 C ATOM 382 O ILE A 25 4.886 10.904 -3.898 1.00 42.34 O ATOM 383 CB ILE A 25 3.702 8.353 -2.179 1.00 61.32 C ATOM 384 CG1 ILE A 25 4.034 7.284 -1.109 1.00 25.32 C ATOM 385 CG2 ILE A 25 2.458 7.886 -2.962 1.00 70.21 C ATOM 386 CD1 ILE A 25 3.242 7.520 0.169 1.00 50.04 C ATOM 0 H ILE A 25 5.895 10.028 -1.862 1.00 12.12 H new ATOM 0 HA ILE A 25 5.152 7.728 -3.618 1.00 65.53 H new ATOM 0 HB ILE A 25 3.473 9.304 -1.697 1.00 61.32 H new ATOM 0 HG12 ILE A 25 3.810 6.292 -1.501 1.00 25.32 H new ATOM 0 HG13 ILE A 25 5.101 7.306 -0.888 1.00 25.32 H new ATOM 0 HG21 ILE A 25 1.641 7.693 -2.266 1.00 70.21 H new ATOM 0 HG22 ILE A 25 2.159 8.662 -3.666 1.00 70.21 H new ATOM 0 HG23 ILE A 25 2.693 6.972 -3.507 1.00 70.21 H new ATOM 0 HD11 ILE A 25 3.496 6.754 0.901 1.00 50.04 H new ATOM 0 HD12 ILE A 25 3.486 8.503 0.572 1.00 50.04 H new ATOM 0 HD13 ILE A 25 2.175 7.473 -0.050 1.00 50.04 H new ATOM 398 N LYS A 26 4.081 9.346 -5.295 1.00 35.53 N ATOM 399 CA LYS A 26 3.598 10.231 -6.350 1.00 34.53 C ATOM 400 C LYS A 26 2.108 9.999 -6.411 1.00 43.14 C ATOM 401 O LYS A 26 1.678 8.962 -6.894 1.00 74.24 O ATOM 402 CB LYS A 26 4.233 9.909 -7.713 1.00 11.01 C ATOM 403 CG LYS A 26 5.549 10.640 -7.970 1.00 31.34 C ATOM 404 CD LYS A 26 6.746 10.115 -7.168 1.00 64.42 C ATOM 405 CE LYS A 26 7.696 11.263 -6.858 1.00 13.35 C ATOM 406 NZ LYS A 26 8.482 11.670 -8.041 1.00 1.33 N ATOM 0 H LYS A 26 3.963 8.361 -5.532 1.00 35.53 H new ATOM 0 HA LYS A 26 3.858 11.267 -6.132 1.00 34.53 H new ATOM 0 HB2 LYS A 26 4.407 8.835 -7.777 1.00 11.01 H new ATOM 0 HB3 LYS A 26 3.526 10.165 -8.502 1.00 11.01 H new ATOM 0 HG2 LYS A 26 5.784 10.572 -9.032 1.00 31.34 H new ATOM 0 HG3 LYS A 26 5.412 11.697 -7.741 1.00 31.34 H new ATOM 0 HD2 LYS A 26 6.402 9.654 -6.242 1.00 64.42 H new ATOM 0 HD3 LYS A 26 7.266 9.343 -7.735 1.00 64.42 H new ATOM 0 HE2 LYS A 26 7.125 12.116 -6.492 1.00 13.35 H new ATOM 0 HE3 LYS A 26 8.374 10.966 -6.058 1.00 13.35 H new ATOM 0 HZ1 LYS A 26 9.115 12.454 -7.784 1.00 1.33 H new ATOM 0 HZ2 LYS A 26 9.047 10.864 -8.376 1.00 1.33 H new ATOM 0 HZ3 LYS A 26 7.837 11.979 -8.797 1.00 1.33 H new ATOM 420 N PHE A 27 1.330 10.918 -5.861 1.00 32.11 N ATOM 421 CA PHE A 27 -0.140 10.824 -5.927 1.00 73.44 C ATOM 422 C PHE A 27 -0.645 11.680 -7.107 1.00 72.34 C ATOM 423 O PHE A 27 0.001 12.686 -7.413 1.00 34.55 O ATOM 424 CB PHE A 27 -0.807 11.323 -4.611 1.00 73.11 C ATOM 425 CG PHE A 27 0.131 11.748 -3.497 1.00 53.42 C ATOM 426 CD1 PHE A 27 0.812 12.976 -3.603 1.00 1.22 C ATOM 427 CD2 PHE A 27 0.389 10.900 -2.404 1.00 12.34 C ATOM 428 CE1 PHE A 27 1.776 13.339 -2.648 1.00 31.35 C ATOM 429 CE2 PHE A 27 1.343 11.271 -1.437 1.00 55.31 C ATOM 430 CZ PHE A 27 2.037 12.486 -1.562 1.00 11.31 C ATOM 0 H PHE A 27 1.679 11.738 -5.364 1.00 32.11 H new ATOM 0 HA PHE A 27 -0.409 9.777 -6.066 1.00 73.44 H new ATOM 0 HB2 PHE A 27 -1.453 12.167 -4.854 1.00 73.11 H new ATOM 0 HB3 PHE A 27 -1.450 10.529 -4.232 1.00 73.11 H new ATOM 0 HD1 PHE A 27 0.592 13.643 -4.424 1.00 1.22 H new ATOM 0 HD2 PHE A 27 -0.144 9.966 -2.307 1.00 12.34 H new ATOM 0 HE1 PHE A 27 2.314 14.270 -2.748 1.00 31.35 H new ATOM 0 HE2 PHE A 27 1.541 10.621 -0.598 1.00 55.31 H new ATOM 0 HZ PHE A 27 2.773 12.765 -0.822 1.00 11.31 H new ATOM 440 N PRO A 28 -1.850 11.419 -7.649 1.00 20.14 N ATOM 441 CA PRO A 28 -2.630 10.207 -7.415 1.00 52.14 C ATOM 442 C PRO A 28 -2.090 9.051 -8.248 1.00 12.01 C ATOM 443 O PRO A 28 -1.281 9.224 -9.161 1.00 75.50 O ATOM 444 CB PRO A 28 -4.035 10.557 -7.885 1.00 4.15 C ATOM 445 CG PRO A 28 -3.779 11.522 -9.041 1.00 43.23 C ATOM 446 CD PRO A 28 -2.525 12.283 -8.611 1.00 52.40 C ATOM 0 HA PRO A 28 -2.595 9.897 -6.371 1.00 52.14 H new ATOM 0 HB2 PRO A 28 -4.584 9.673 -8.211 1.00 4.15 H new ATOM 0 HB3 PRO A 28 -4.622 11.022 -7.093 1.00 4.15 H new ATOM 0 HG2 PRO A 28 -3.622 10.990 -9.979 1.00 43.23 H new ATOM 0 HG3 PRO A 28 -4.622 12.195 -9.194 1.00 43.23 H new ATOM 0 HD2 PRO A 28 -1.883 12.494 -9.466 1.00 52.40 H new ATOM 0 HD3 PRO A 28 -2.784 13.242 -8.162 1.00 52.40 H new ATOM 454 N LEU A 29 -2.515 7.854 -7.874 1.00 40.20 N ATOM 455 CA LEU A 29 -1.897 6.626 -8.303 1.00 52.30 C ATOM 456 C LEU A 29 -2.597 6.069 -9.532 1.00 64.21 C ATOM 457 O LEU A 29 -3.710 6.434 -9.898 1.00 14.14 O ATOM 458 CB LEU A 29 -1.977 5.638 -7.138 1.00 63.30 C ATOM 459 CG LEU A 29 -1.081 6.030 -5.945 1.00 72.22 C ATOM 460 CD1 LEU A 29 0.428 6.273 -6.115 1.00 71.11 C ATOM 461 CD2 LEU A 29 -1.651 7.100 -5.075 1.00 41.22 C ATOM 0 H LEU A 29 -3.313 7.715 -7.254 1.00 40.20 H new ATOM 0 HA LEU A 29 -0.858 6.802 -8.580 1.00 52.30 H new ATOM 0 HB2 LEU A 29 -3.011 5.568 -6.800 1.00 63.30 H new ATOM 0 HB3 LEU A 29 -1.689 4.647 -7.490 1.00 63.30 H new ATOM 0 HG LEU A 29 -1.110 5.049 -5.470 1.00 72.22 H new ATOM 0 HD11 LEU A 29 0.865 6.537 -5.152 1.00 71.11 H new ATOM 0 HD12 LEU A 29 0.902 5.367 -6.492 1.00 71.11 H new ATOM 0 HD13 LEU A 29 0.588 7.087 -6.822 1.00 71.11 H new ATOM 0 HD21 LEU A 29 -0.958 7.315 -4.261 1.00 41.22 H new ATOM 0 HD22 LEU A 29 -1.809 8.003 -5.665 1.00 41.22 H new ATOM 0 HD23 LEU A 29 -2.603 6.765 -4.662 1.00 41.22 H new ATOM 473 N LYS A 30 -1.919 5.142 -10.179 1.00 43.43 N ATOM 474 CA LYS A 30 -2.239 4.545 -11.464 1.00 72.44 C ATOM 475 C LYS A 30 -3.338 3.476 -11.385 1.00 53.20 C ATOM 476 O LYS A 30 -3.927 3.127 -12.413 1.00 63.53 O ATOM 477 CB LYS A 30 -0.938 3.975 -12.013 1.00 5.01 C ATOM 478 CG LYS A 30 0.020 5.071 -12.522 1.00 61.40 C ATOM 479 CD LYS A 30 1.193 4.433 -13.273 1.00 21.34 C ATOM 480 CE LYS A 30 2.226 5.501 -13.637 1.00 32.31 C ATOM 481 NZ LYS A 30 3.318 4.937 -14.454 1.00 35.32 N ATOM 0 H LYS A 30 -1.060 4.754 -9.789 1.00 43.43 H new ATOM 0 HA LYS A 30 -2.652 5.305 -12.127 1.00 72.44 H new ATOM 0 HB2 LYS A 30 -0.442 3.396 -11.234 1.00 5.01 H new ATOM 0 HB3 LYS A 30 -1.162 3.286 -12.828 1.00 5.01 H new ATOM 0 HG2 LYS A 30 -0.515 5.756 -13.180 1.00 61.40 H new ATOM 0 HG3 LYS A 30 0.391 5.659 -11.683 1.00 61.40 H new ATOM 0 HD2 LYS A 30 1.656 3.664 -12.655 1.00 21.34 H new ATOM 0 HD3 LYS A 30 0.832 3.941 -14.177 1.00 21.34 H new ATOM 0 HE2 LYS A 30 1.740 6.308 -14.184 1.00 32.31 H new ATOM 0 HE3 LYS A 30 2.638 5.936 -12.727 1.00 32.31 H new ATOM 0 HZ1 LYS A 30 4.002 5.686 -14.684 1.00 35.32 H new ATOM 0 HZ2 LYS A 30 3.797 4.183 -13.921 1.00 35.32 H new ATOM 0 HZ3 LYS A 30 2.926 4.544 -15.333 1.00 35.32 H new ATOM 495 N SER A 31 -3.667 3.002 -10.191 1.00 22.23 N ATOM 496 CA SER A 31 -4.735 2.087 -9.846 1.00 44.04 C ATOM 497 C SER A 31 -5.754 2.899 -9.041 1.00 45.42 C ATOM 498 O SER A 31 -5.624 3.009 -7.822 1.00 23.34 O ATOM 499 CB SER A 31 -4.148 0.878 -9.096 1.00 70.44 C ATOM 500 OG SER A 31 -5.045 -0.217 -9.068 1.00 11.44 O ATOM 0 H SER A 31 -3.139 3.278 -9.363 1.00 22.23 H new ATOM 0 HA SER A 31 -5.243 1.665 -10.713 1.00 44.04 H new ATOM 0 HB2 SER A 31 -3.218 0.572 -9.574 1.00 70.44 H new ATOM 0 HB3 SER A 31 -3.901 1.170 -8.075 1.00 70.44 H new ATOM 0 HG SER A 31 -5.123 -0.553 -8.151 1.00 11.44 H new ATOM 506 N PRO A 32 -6.710 3.596 -9.686 1.00 74.24 N ATOM 507 CA PRO A 32 -7.826 4.169 -8.955 1.00 4.01 C ATOM 508 C PRO A 32 -8.611 3.057 -8.242 1.00 3.14 C ATOM 509 O PRO A 32 -8.544 1.882 -8.614 1.00 30.43 O ATOM 510 CB PRO A 32 -8.648 4.960 -9.975 1.00 43.43 C ATOM 511 CG PRO A 32 -8.217 4.451 -11.351 1.00 3.25 C ATOM 512 CD PRO A 32 -6.904 3.707 -11.122 1.00 42.04 C ATOM 0 HA PRO A 32 -7.512 4.846 -8.161 1.00 4.01 H new ATOM 0 HB2 PRO A 32 -9.716 4.806 -9.819 1.00 43.43 H new ATOM 0 HB3 PRO A 32 -8.463 6.030 -9.879 1.00 43.43 H new ATOM 0 HG2 PRO A 32 -8.972 3.791 -11.779 1.00 3.25 H new ATOM 0 HG3 PRO A 32 -8.083 5.277 -12.050 1.00 3.25 H new ATOM 0 HD2 PRO A 32 -6.938 2.719 -11.582 1.00 42.04 H new ATOM 0 HD3 PRO A 32 -6.074 4.244 -11.581 1.00 42.04 H new ATOM 520 N ILE A 33 -9.384 3.436 -7.229 1.00 73.41 N ATOM 521 CA ILE A 33 -10.287 2.545 -6.498 1.00 72.10 C ATOM 522 C ILE A 33 -11.532 2.381 -7.372 1.00 62.41 C ATOM 523 O ILE A 33 -12.029 3.390 -7.867 1.00 33.35 O ATOM 524 CB ILE A 33 -10.599 3.220 -5.141 1.00 24.21 C ATOM 525 CG1 ILE A 33 -9.340 3.221 -4.242 1.00 32.34 C ATOM 526 CG2 ILE A 33 -11.752 2.584 -4.352 1.00 3.01 C ATOM 527 CD1 ILE A 33 -9.259 4.442 -3.321 1.00 22.54 C ATOM 0 H ILE A 33 -9.402 4.395 -6.883 1.00 73.41 H new ATOM 0 HA ILE A 33 -9.868 1.560 -6.295 1.00 72.10 H new ATOM 0 HB ILE A 33 -10.913 4.231 -5.400 1.00 24.21 H new ATOM 0 HG12 ILE A 33 -9.333 2.315 -3.636 1.00 32.34 H new ATOM 0 HG13 ILE A 33 -8.451 3.189 -4.872 1.00 32.34 H new ATOM 0 HG21 ILE A 33 -11.895 3.125 -3.417 1.00 3.01 H new ATOM 0 HG22 ILE A 33 -12.667 2.632 -4.943 1.00 3.01 H new ATOM 0 HG23 ILE A 33 -11.514 1.543 -4.136 1.00 3.01 H new ATOM 0 HD11 ILE A 33 -8.354 4.383 -2.717 1.00 22.54 H new ATOM 0 HD12 ILE A 33 -9.235 5.351 -3.923 1.00 22.54 H new ATOM 0 HD13 ILE A 33 -10.131 4.463 -2.667 1.00 22.54 H new ATOM 539 N ALA A 34 -12.055 1.169 -7.551 1.00 33.24 N ATOM 540 CA ALA A 34 -13.299 0.884 -8.266 1.00 42.02 C ATOM 541 C ALA A 34 -14.071 -0.091 -7.388 1.00 54.03 C ATOM 542 O ALA A 34 -13.521 -1.078 -6.901 1.00 23.55 O ATOM 543 CB ALA A 34 -13.019 0.216 -9.618 1.00 52.41 C ATOM 0 H ALA A 34 -11.608 0.327 -7.189 1.00 33.24 H new ATOM 0 HA ALA A 34 -13.849 1.805 -8.458 1.00 42.02 H new ATOM 0 HB1 ALA A 34 -13.962 0.016 -10.127 1.00 52.41 H new ATOM 0 HB2 ALA A 34 -12.409 0.879 -10.232 1.00 52.41 H new ATOM 0 HB3 ALA A 34 -12.487 -0.722 -9.457 1.00 52.41 H new ATOM 549 N LEU A 35 -15.344 0.217 -7.193 1.00 43.22 N ATOM 550 CA LEU A 35 -16.239 -0.367 -6.204 1.00 42.32 C ATOM 551 C LEU A 35 -17.560 -0.683 -6.892 1.00 53.03 C ATOM 552 O LEU A 35 -17.688 -0.476 -8.103 1.00 14.03 O ATOM 553 CB LEU A 35 -16.463 0.634 -5.055 1.00 53.04 C ATOM 554 CG LEU A 35 -15.182 1.126 -4.360 1.00 32.53 C ATOM 555 CD1 LEU A 35 -15.517 2.245 -3.375 1.00 62.43 C ATOM 556 CD2 LEU A 35 -14.425 0.029 -3.624 1.00 63.31 C ATOM 0 H LEU A 35 -15.810 0.927 -7.757 1.00 43.22 H new ATOM 0 HA LEU A 35 -15.809 -1.278 -5.788 1.00 42.32 H new ATOM 0 HB2 LEU A 35 -17.001 1.498 -5.446 1.00 53.04 H new ATOM 0 HB3 LEU A 35 -17.107 0.169 -4.309 1.00 53.04 H new ATOM 0 HG LEU A 35 -14.530 1.488 -5.155 1.00 32.53 H new ATOM 0 HD11 LEU A 35 -14.604 2.587 -2.888 1.00 62.43 H new ATOM 0 HD12 LEU A 35 -15.975 3.076 -3.911 1.00 62.43 H new ATOM 0 HD13 LEU A 35 -16.211 1.871 -2.622 1.00 62.43 H new ATOM 0 HD21 LEU A 35 -13.534 0.451 -3.159 1.00 63.31 H new ATOM 0 HD22 LEU A 35 -15.066 -0.402 -2.855 1.00 63.31 H new ATOM 0 HD23 LEU A 35 -14.133 -0.748 -4.330 1.00 63.31 H new ATOM 568 N LEU A 36 -18.561 -1.130 -6.136 1.00 3.24 N ATOM 569 CA LEU A 36 -19.889 -1.461 -6.641 1.00 5.32 C ATOM 570 C LEU A 36 -20.897 -0.453 -6.100 1.00 74.54 C ATOM 571 O LEU A 36 -21.012 -0.272 -4.889 1.00 53.44 O ATOM 572 CB LEU A 36 -20.248 -2.905 -6.281 1.00 63.30 C ATOM 573 CG LEU A 36 -19.355 -3.965 -6.966 1.00 63.33 C ATOM 574 CD1 LEU A 36 -19.939 -5.344 -6.689 1.00 42.04 C ATOM 575 CD2 LEU A 36 -19.178 -3.800 -8.481 1.00 70.21 C ATOM 0 H LEU A 36 -18.467 -1.275 -5.131 1.00 3.24 H new ATOM 0 HA LEU A 36 -19.906 -1.397 -7.729 1.00 5.32 H new ATOM 0 HB2 LEU A 36 -20.176 -3.028 -5.200 1.00 63.30 H new ATOM 0 HB3 LEU A 36 -21.287 -3.089 -6.554 1.00 63.30 H new ATOM 0 HG LEU A 36 -18.361 -3.833 -6.540 1.00 63.33 H new ATOM 0 HD11 LEU A 36 -19.320 -6.104 -7.166 1.00 42.04 H new ATOM 0 HD12 LEU A 36 -19.964 -5.519 -5.613 1.00 42.04 H new ATOM 0 HD13 LEU A 36 -20.952 -5.397 -7.089 1.00 42.04 H new ATOM 0 HD21 LEU A 36 -18.535 -4.594 -8.861 1.00 70.21 H new ATOM 0 HD22 LEU A 36 -20.151 -3.856 -8.969 1.00 70.21 H new ATOM 0 HD23 LEU A 36 -18.722 -2.832 -8.691 1.00 70.21 H new ATOM 587 N LYS A 37 -21.578 0.258 -7.001 1.00 65.40 N ATOM 588 CA LYS A 37 -22.628 1.216 -6.672 1.00 42.01 C ATOM 589 C LYS A 37 -23.854 0.506 -6.093 1.00 41.31 C ATOM 590 O LYS A 37 -23.921 -0.717 -5.944 1.00 34.33 O ATOM 591 CB LYS A 37 -23.026 1.978 -7.949 1.00 44.32 C ATOM 592 CG LYS A 37 -21.936 2.898 -8.517 1.00 25.14 C ATOM 593 CD LYS A 37 -22.012 2.934 -10.045 1.00 43.44 C ATOM 594 CE LYS A 37 -21.776 4.311 -10.651 1.00 41.02 C ATOM 595 NZ LYS A 37 -21.900 4.220 -12.118 1.00 71.20 N ATOM 0 H LYS A 37 -21.408 0.179 -8.004 1.00 65.40 H new ATOM 0 HA LYS A 37 -22.251 1.910 -5.921 1.00 42.01 H new ATOM 0 HB2 LYS A 37 -23.306 1.254 -8.715 1.00 44.32 H new ATOM 0 HB3 LYS A 37 -23.912 2.576 -7.737 1.00 44.32 H new ATOM 0 HG2 LYS A 37 -22.056 3.905 -8.117 1.00 25.14 H new ATOM 0 HG3 LYS A 37 -20.953 2.545 -8.204 1.00 25.14 H new ATOM 0 HD2 LYS A 37 -21.275 2.240 -10.450 1.00 43.44 H new ATOM 0 HD3 LYS A 37 -22.993 2.576 -10.357 1.00 43.44 H new ATOM 0 HE2 LYS A 37 -22.499 5.025 -10.256 1.00 41.02 H new ATOM 0 HE3 LYS A 37 -20.786 4.677 -10.379 1.00 41.02 H new ATOM 0 HZ1 LYS A 37 -21.807 5.169 -12.534 1.00 71.20 H new ATOM 0 HZ2 LYS A 37 -21.151 3.603 -12.492 1.00 71.20 H new ATOM 0 HZ3 LYS A 37 -22.830 3.824 -12.364 1.00 71.20 H new ATOM 609 N ASP A 38 -24.878 1.301 -5.811 1.00 63.12 N ATOM 610 CA ASP A 38 -26.260 0.904 -5.597 1.00 62.54 C ATOM 611 C ASP A 38 -26.913 0.362 -6.887 1.00 12.22 C ATOM 612 O ASP A 38 -28.049 0.722 -7.202 1.00 51.00 O ATOM 613 CB ASP A 38 -27.029 2.103 -5.000 1.00 44.12 C ATOM 614 CG ASP A 38 -27.160 3.314 -5.941 1.00 74.23 C ATOM 615 OD1 ASP A 38 -26.132 3.780 -6.493 1.00 65.12 O ATOM 616 OD2 ASP A 38 -28.281 3.867 -6.045 1.00 70.52 O ATOM 0 H ASP A 38 -24.754 2.309 -5.720 1.00 63.12 H new ATOM 0 HA ASP A 38 -26.295 0.075 -4.890 1.00 62.54 H new ATOM 0 HB2 ASP A 38 -28.027 1.772 -4.715 1.00 44.12 H new ATOM 0 HB3 ASP A 38 -26.526 2.422 -4.087 1.00 44.12 H new ATOM 621 N ASP A 39 -26.250 -0.535 -7.632 1.00 71.52 N ATOM 622 CA ASP A 39 -26.884 -1.332 -8.693 1.00 70.12 C ATOM 623 C ASP A 39 -26.224 -2.713 -8.862 1.00 51.04 C ATOM 624 O ASP A 39 -26.415 -3.395 -9.872 1.00 30.22 O ATOM 625 CB ASP A 39 -26.935 -0.557 -10.020 1.00 62.23 C ATOM 626 CG ASP A 39 -28.238 -0.787 -10.790 1.00 73.41 C ATOM 627 OD1 ASP A 39 -28.852 -1.877 -10.682 1.00 44.22 O ATOM 628 OD2 ASP A 39 -28.684 0.174 -11.459 1.00 32.33 O ATOM 0 H ASP A 39 -25.255 -0.729 -7.515 1.00 71.52 H new ATOM 0 HA ASP A 39 -27.912 -1.517 -8.380 1.00 70.12 H new ATOM 0 HB2 ASP A 39 -26.820 0.508 -9.818 1.00 62.23 H new ATOM 0 HB3 ASP A 39 -26.092 -0.856 -10.643 1.00 62.23 H new ATOM 633 N GLY A 40 -25.431 -3.156 -7.883 1.00 71.41 N ATOM 634 CA GLY A 40 -24.782 -4.459 -7.916 1.00 32.33 C ATOM 635 C GLY A 40 -23.595 -4.432 -8.870 1.00 45.43 C ATOM 636 O GLY A 40 -22.582 -3.818 -8.555 1.00 45.12 O ATOM 0 H GLY A 40 -25.223 -2.615 -7.044 1.00 71.41 H new ATOM 0 HA2 GLY A 40 -24.447 -4.732 -6.915 1.00 32.33 H new ATOM 0 HA3 GLY A 40 -25.495 -5.220 -8.232 1.00 32.33 H new ATOM 640 N GLU A 41 -23.703 -5.064 -10.038 1.00 74.51 N ATOM 641 CA GLU A 41 -22.613 -5.221 -11.006 1.00 70.44 C ATOM 642 C GLU A 41 -22.509 -3.947 -11.855 1.00 71.12 C ATOM 643 O GLU A 41 -22.787 -3.931 -13.059 1.00 24.11 O ATOM 644 CB GLU A 41 -22.843 -6.445 -11.913 1.00 54.42 C ATOM 645 CG GLU A 41 -22.743 -7.815 -11.216 1.00 42.04 C ATOM 646 CD GLU A 41 -21.693 -8.743 -11.849 1.00 5.13 C ATOM 647 OE1 GLU A 41 -21.620 -8.858 -13.095 1.00 31.32 O ATOM 648 OE2 GLU A 41 -20.913 -9.361 -11.085 1.00 22.11 O ATOM 0 H GLU A 41 -24.575 -5.494 -10.348 1.00 74.51 H new ATOM 0 HA GLU A 41 -21.682 -5.382 -10.462 1.00 70.44 H new ATOM 0 HB2 GLU A 41 -23.830 -6.359 -12.367 1.00 54.42 H new ATOM 0 HB3 GLU A 41 -22.116 -6.416 -12.724 1.00 54.42 H new ATOM 0 HG2 GLU A 41 -22.497 -7.663 -10.165 1.00 42.04 H new ATOM 0 HG3 GLU A 41 -23.717 -8.304 -11.249 1.00 42.04 H new ATOM 655 N THR A 42 -22.137 -2.852 -11.210 1.00 45.23 N ATOM 656 CA THR A 42 -22.001 -1.533 -11.813 1.00 62.23 C ATOM 657 C THR A 42 -20.522 -1.150 -11.899 1.00 11.42 C ATOM 658 O THR A 42 -19.696 -1.627 -11.112 1.00 4.04 O ATOM 659 CB THR A 42 -22.826 -0.498 -11.016 1.00 71.53 C ATOM 660 OG1 THR A 42 -23.486 -1.046 -9.887 1.00 65.32 O ATOM 661 CG2 THR A 42 -23.870 0.175 -11.908 1.00 52.02 C ATOM 0 H THR A 42 -21.913 -2.857 -10.215 1.00 45.23 H new ATOM 0 HA THR A 42 -22.395 -1.550 -12.829 1.00 62.23 H new ATOM 0 HB THR A 42 -22.099 0.231 -10.658 1.00 71.53 H new ATOM 0 HG1 THR A 42 -22.971 -0.846 -9.078 1.00 65.32 H new ATOM 0 HG21 THR A 42 -24.437 0.899 -11.322 1.00 52.02 H new ATOM 0 HG22 THR A 42 -23.370 0.686 -12.731 1.00 52.02 H new ATOM 0 HG23 THR A 42 -24.548 -0.579 -12.307 1.00 52.02 H new ATOM 669 N GLU A 43 -20.188 -0.216 -12.789 1.00 74.33 N ATOM 670 CA GLU A 43 -18.842 0.304 -12.971 1.00 1.12 C ATOM 671 C GLU A 43 -18.755 1.692 -12.338 1.00 52.31 C ATOM 672 O GLU A 43 -19.665 2.518 -12.470 1.00 73.40 O ATOM 673 CB GLU A 43 -18.454 0.313 -14.461 1.00 52.42 C ATOM 674 CG GLU A 43 -19.391 1.138 -15.356 1.00 25.44 C ATOM 675 CD GLU A 43 -19.046 0.977 -16.836 1.00 43.00 C ATOM 676 OE1 GLU A 43 -19.325 -0.106 -17.408 1.00 54.13 O ATOM 677 OE2 GLU A 43 -18.512 1.929 -17.442 1.00 60.22 O ATOM 0 H GLU A 43 -20.869 0.209 -13.419 1.00 74.33 H new ATOM 0 HA GLU A 43 -18.123 -0.345 -12.471 1.00 1.12 H new ATOM 0 HB2 GLU A 43 -17.441 0.704 -14.558 1.00 52.42 H new ATOM 0 HB3 GLU A 43 -18.435 -0.714 -14.825 1.00 52.42 H new ATOM 0 HG2 GLU A 43 -20.422 0.828 -15.187 1.00 25.44 H new ATOM 0 HG3 GLU A 43 -19.325 2.190 -15.079 1.00 25.44 H new ATOM 684 N GLN A 44 -17.640 1.956 -11.665 1.00 23.55 N ATOM 685 CA GLN A 44 -17.232 3.261 -11.172 1.00 4.22 C ATOM 686 C GLN A 44 -15.709 3.282 -11.048 1.00 43.23 C ATOM 687 O GLN A 44 -15.073 2.244 -11.200 1.00 70.10 O ATOM 688 CB GLN A 44 -17.929 3.609 -9.852 1.00 74.22 C ATOM 689 CG GLN A 44 -17.340 2.782 -8.720 1.00 21.15 C ATOM 690 CD GLN A 44 -16.466 3.503 -7.693 1.00 4.44 C ATOM 691 OE1 GLN A 44 -15.527 2.964 -7.146 1.00 21.43 O ATOM 692 NE2 GLN A 44 -16.700 4.754 -7.404 1.00 52.04 N ATOM 0 H GLN A 44 -16.964 1.226 -11.439 1.00 23.55 H new ATOM 0 HA GLN A 44 -17.538 4.032 -11.879 1.00 4.22 H new ATOM 0 HB2 GLN A 44 -17.810 4.671 -9.637 1.00 74.22 H new ATOM 0 HB3 GLN A 44 -18.999 3.418 -9.935 1.00 74.22 H new ATOM 0 HG2 GLN A 44 -18.164 2.309 -8.186 1.00 21.15 H new ATOM 0 HG3 GLN A 44 -16.747 1.982 -9.163 1.00 21.15 H new ATOM 0 HE21 GLN A 44 -17.481 5.242 -7.844 1.00 52.04 H new ATOM 0 HE22 GLN A 44 -16.102 5.244 -6.738 1.00 52.04 H new ATOM 701 N THR A 45 -15.166 4.430 -10.660 1.00 22.23 N ATOM 702 CA THR A 45 -13.805 4.647 -10.176 1.00 53.23 C ATOM 703 C THR A 45 -13.752 5.859 -9.252 1.00 53.41 C ATOM 704 O THR A 45 -14.627 6.727 -9.328 1.00 31.21 O ATOM 705 CB THR A 45 -12.854 4.891 -11.361 1.00 42.01 C ATOM 706 OG1 THR A 45 -13.287 5.979 -12.173 1.00 33.55 O ATOM 707 CG2 THR A 45 -12.750 3.661 -12.238 1.00 24.25 C ATOM 0 H THR A 45 -15.703 5.297 -10.676 1.00 22.23 H new ATOM 0 HA THR A 45 -13.496 3.757 -9.628 1.00 53.23 H new ATOM 0 HB THR A 45 -11.882 5.127 -10.929 1.00 42.01 H new ATOM 0 HG1 THR A 45 -12.658 6.105 -12.914 1.00 33.55 H new ATOM 0 HG21 THR A 45 -12.072 3.862 -13.067 1.00 24.25 H new ATOM 0 HG22 THR A 45 -12.368 2.826 -11.650 1.00 24.25 H new ATOM 0 HG23 THR A 45 -13.736 3.408 -12.629 1.00 24.25 H new ATOM 715 N PHE A 46 -12.712 5.961 -8.428 1.00 21.43 N ATOM 716 CA PHE A 46 -12.486 7.005 -7.435 1.00 52.32 C ATOM 717 C PHE A 46 -11.030 7.482 -7.490 1.00 75.12 C ATOM 718 O PHE A 46 -10.139 6.691 -7.809 1.00 1.25 O ATOM 719 CB PHE A 46 -12.851 6.493 -6.024 1.00 24.15 C ATOM 720 CG PHE A 46 -14.030 7.218 -5.402 1.00 50.41 C ATOM 721 CD1 PHE A 46 -15.240 7.301 -6.113 1.00 12.12 C ATOM 722 CD2 PHE A 46 -13.939 7.797 -4.122 1.00 23.13 C ATOM 723 CE1 PHE A 46 -16.350 7.970 -5.572 1.00 53.01 C ATOM 724 CE2 PHE A 46 -15.051 8.460 -3.573 1.00 41.20 C ATOM 725 CZ PHE A 46 -16.248 8.555 -4.302 1.00 35.12 C ATOM 0 H PHE A 46 -11.959 5.274 -8.438 1.00 21.43 H new ATOM 0 HA PHE A 46 -13.130 7.854 -7.662 1.00 52.32 H new ATOM 0 HB2 PHE A 46 -13.078 5.428 -6.080 1.00 24.15 H new ATOM 0 HB3 PHE A 46 -11.984 6.600 -5.372 1.00 24.15 H new ATOM 0 HD1 PHE A 46 -15.317 6.844 -7.089 1.00 12.12 H new ATOM 0 HD2 PHE A 46 -13.017 7.732 -3.563 1.00 23.13 H new ATOM 0 HE1 PHE A 46 -17.273 8.033 -6.129 1.00 53.01 H new ATOM 0 HE2 PHE A 46 -14.985 8.898 -2.588 1.00 41.20 H new ATOM 0 HZ PHE A 46 -17.093 9.081 -3.883 1.00 35.12 H new ATOM 735 N PRO A 47 -10.769 8.765 -7.187 1.00 21.21 N ATOM 736 CA PRO A 47 -9.433 9.338 -7.253 1.00 24.13 C ATOM 737 C PRO A 47 -8.571 8.839 -6.090 1.00 31.35 C ATOM 738 O PRO A 47 -8.870 9.132 -4.927 1.00 11.25 O ATOM 739 CB PRO A 47 -9.652 10.854 -7.230 1.00 11.24 C ATOM 740 CG PRO A 47 -10.955 11.023 -6.450 1.00 55.14 C ATOM 741 CD PRO A 47 -11.753 9.791 -6.860 1.00 0.11 C ATOM 0 HA PRO A 47 -8.888 9.043 -8.150 1.00 24.13 H new ATOM 0 HB2 PRO A 47 -8.825 11.370 -6.743 1.00 11.24 H new ATOM 0 HB3 PRO A 47 -9.733 11.262 -8.238 1.00 11.24 H new ATOM 0 HG2 PRO A 47 -10.782 11.054 -5.374 1.00 55.14 H new ATOM 0 HG3 PRO A 47 -11.470 11.946 -6.717 1.00 55.14 H new ATOM 0 HD2 PRO A 47 -12.406 9.462 -6.051 1.00 0.11 H new ATOM 0 HD3 PRO A 47 -12.391 10.007 -7.717 1.00 0.11 H new ATOM 749 N PHE A 48 -7.503 8.085 -6.375 1.00 54.32 N ATOM 750 CA PHE A 48 -6.611 7.577 -5.340 1.00 32.23 C ATOM 751 C PHE A 48 -5.612 8.676 -4.951 1.00 74.53 C ATOM 752 O PHE A 48 -4.483 8.700 -5.438 1.00 3.31 O ATOM 753 CB PHE A 48 -5.935 6.264 -5.767 1.00 53.30 C ATOM 754 CG PHE A 48 -5.543 5.357 -4.607 1.00 13.23 C ATOM 755 CD1 PHE A 48 -4.924 5.851 -3.436 1.00 21.14 C ATOM 756 CD2 PHE A 48 -5.866 3.990 -4.681 1.00 3.21 C ATOM 757 CE1 PHE A 48 -4.668 4.989 -2.353 1.00 51.03 C ATOM 758 CE2 PHE A 48 -5.619 3.134 -3.599 1.00 64.30 C ATOM 759 CZ PHE A 48 -5.024 3.633 -2.433 1.00 30.51 C ATOM 0 H PHE A 48 -7.239 7.815 -7.322 1.00 54.32 H new ATOM 0 HA PHE A 48 -7.190 7.323 -4.452 1.00 32.23 H new ATOM 0 HB2 PHE A 48 -6.610 5.719 -6.428 1.00 53.30 H new ATOM 0 HB3 PHE A 48 -5.043 6.500 -6.347 1.00 53.30 H new ATOM 0 HD1 PHE A 48 -4.647 6.893 -3.372 1.00 21.14 H new ATOM 0 HD2 PHE A 48 -6.310 3.595 -5.583 1.00 3.21 H new ATOM 0 HE1 PHE A 48 -4.197 5.371 -1.459 1.00 51.03 H new ATOM 0 HE2 PHE A 48 -5.887 2.090 -3.664 1.00 64.30 H new ATOM 0 HZ PHE A 48 -4.839 2.975 -1.596 1.00 30.51 H new ATOM 769 N THR A 49 -6.029 9.618 -4.107 1.00 62.24 N ATOM 770 CA THR A 49 -5.201 10.720 -3.615 1.00 20.23 C ATOM 771 C THR A 49 -4.553 10.382 -2.261 1.00 55.12 C ATOM 772 O THR A 49 -4.718 9.280 -1.738 1.00 24.11 O ATOM 773 CB THR A 49 -6.058 12.000 -3.565 1.00 1.34 C ATOM 774 OG1 THR A 49 -7.267 11.814 -2.839 1.00 62.11 O ATOM 775 CG2 THR A 49 -6.387 12.447 -4.994 1.00 14.42 C ATOM 0 H THR A 49 -6.979 9.637 -3.736 1.00 62.24 H new ATOM 0 HA THR A 49 -4.369 10.889 -4.299 1.00 20.23 H new ATOM 0 HB THR A 49 -5.478 12.764 -3.047 1.00 1.34 H new ATOM 0 HG1 THR A 49 -7.777 12.651 -2.832 1.00 62.11 H new ATOM 0 HG21 THR A 49 -6.993 13.352 -4.962 1.00 14.42 H new ATOM 0 HG22 THR A 49 -5.462 12.649 -5.534 1.00 14.42 H new ATOM 0 HG23 THR A 49 -6.940 11.658 -5.504 1.00 14.42 H new ATOM 783 N ARG A 50 -3.821 11.331 -1.659 1.00 43.30 N ATOM 784 CA ARG A 50 -3.317 11.187 -0.288 1.00 1.24 C ATOM 785 C ARG A 50 -4.464 11.074 0.733 1.00 20.25 C ATOM 786 O ARG A 50 -4.287 10.432 1.765 1.00 30.45 O ATOM 787 CB ARG A 50 -2.372 12.362 0.042 1.00 40.22 C ATOM 788 CG ARG A 50 -1.423 12.024 1.199 1.00 63.30 C ATOM 789 CD ARG A 50 -0.555 13.189 1.707 1.00 44.12 C ATOM 790 NE ARG A 50 -1.295 14.196 2.486 1.00 53.23 N ATOM 791 CZ ARG A 50 -1.932 14.012 3.651 1.00 12.03 C ATOM 792 NH1 ARG A 50 -1.869 12.859 4.307 1.00 54.21 N ATOM 793 NH2 ARG A 50 -2.651 15.001 4.155 1.00 55.30 N ATOM 0 H ARG A 50 -3.564 12.212 -2.105 1.00 43.30 H new ATOM 0 HA ARG A 50 -2.753 10.256 -0.220 1.00 1.24 H new ATOM 0 HB2 ARG A 50 -1.789 12.619 -0.843 1.00 40.22 H new ATOM 0 HB3 ARG A 50 -2.962 13.241 0.301 1.00 40.22 H new ATOM 0 HG2 ARG A 50 -2.015 11.645 2.032 1.00 63.30 H new ATOM 0 HG3 ARG A 50 -0.765 11.215 0.881 1.00 63.30 H new ATOM 0 HD2 ARG A 50 0.249 12.787 2.324 1.00 44.12 H new ATOM 0 HD3 ARG A 50 -0.087 13.678 0.853 1.00 44.12 H new ATOM 0 HE ARG A 50 -1.326 15.138 2.096 1.00 53.23 H new ATOM 0 HH11 ARG A 50 -1.325 12.085 3.926 1.00 54.21 H new ATOM 0 HH12 ARG A 50 -2.364 12.748 5.192 1.00 54.21 H new ATOM 0 HH21 ARG A 50 -2.715 15.889 3.658 1.00 55.30 H new ATOM 0 HH22 ARG A 50 -3.141 14.875 5.041 1.00 55.30 H new ATOM 807 N GLU A 51 -5.647 11.613 0.421 1.00 14.04 N ATOM 808 CA GLU A 51 -6.835 11.766 1.269 1.00 14.05 C ATOM 809 C GLU A 51 -7.591 10.431 1.432 1.00 22.51 C ATOM 810 O GLU A 51 -8.776 10.325 1.110 1.00 10.42 O ATOM 811 CB GLU A 51 -7.719 12.864 0.627 1.00 41.03 C ATOM 812 CG GLU A 51 -8.700 13.535 1.604 1.00 15.11 C ATOM 813 CD GLU A 51 -8.267 14.955 1.986 1.00 55.10 C ATOM 814 OE1 GLU A 51 -7.162 15.130 2.550 1.00 3.13 O ATOM 815 OE2 GLU A 51 -8.958 15.934 1.613 1.00 52.34 O ATOM 0 H GLU A 51 -5.813 11.986 -0.514 1.00 14.04 H new ATOM 0 HA GLU A 51 -6.549 12.063 2.278 1.00 14.05 H new ATOM 0 HB2 GLU A 51 -7.073 13.629 0.196 1.00 41.03 H new ATOM 0 HB3 GLU A 51 -8.285 12.425 -0.194 1.00 41.03 H new ATOM 0 HG2 GLU A 51 -9.691 13.570 1.152 1.00 15.11 H new ATOM 0 HG3 GLU A 51 -8.782 12.928 2.506 1.00 15.11 H new ATOM 822 N LYS A 52 -6.863 9.366 1.786 1.00 50.11 N ATOM 823 CA LYS A 52 -7.268 7.952 1.854 1.00 21.41 C ATOM 824 C LYS A 52 -6.075 7.037 2.183 1.00 11.41 C ATOM 825 O LYS A 52 -6.284 5.839 2.351 1.00 4.04 O ATOM 826 CB LYS A 52 -7.986 7.509 0.558 1.00 13.45 C ATOM 827 CG LYS A 52 -7.372 8.016 -0.749 1.00 13.31 C ATOM 828 CD LYS A 52 -8.292 7.792 -1.942 1.00 54.44 C ATOM 829 CE LYS A 52 -9.711 8.379 -1.889 1.00 25.21 C ATOM 830 NZ LYS A 52 -9.770 9.804 -1.485 1.00 2.41 N ATOM 0 H LYS A 52 -5.886 9.479 2.057 1.00 50.11 H new ATOM 0 HA LYS A 52 -7.982 7.855 2.672 1.00 21.41 H new ATOM 0 HB2 LYS A 52 -8.005 6.420 0.530 1.00 13.45 H new ATOM 0 HB3 LYS A 52 -9.022 7.845 0.606 1.00 13.45 H new ATOM 0 HG2 LYS A 52 -7.152 9.080 -0.657 1.00 13.31 H new ATOM 0 HG3 LYS A 52 -6.423 7.508 -0.924 1.00 13.31 H new ATOM 0 HD2 LYS A 52 -7.797 8.198 -2.824 1.00 54.44 H new ATOM 0 HD3 LYS A 52 -8.383 6.717 -2.094 1.00 54.44 H new ATOM 0 HE2 LYS A 52 -10.172 8.273 -2.871 1.00 25.21 H new ATOM 0 HE3 LYS A 52 -10.308 7.791 -1.192 1.00 25.21 H new ATOM 0 HZ1 LYS A 52 -10.757 10.131 -1.507 1.00 2.41 H new ATOM 0 HZ2 LYS A 52 -9.393 9.908 -0.521 1.00 2.41 H new ATOM 0 HZ3 LYS A 52 -9.202 10.375 -2.143 1.00 2.41 H new ATOM 844 N TRP A 53 -4.839 7.551 2.241 1.00 71.51 N ATOM 845 CA TRP A 53 -3.656 6.720 2.424 1.00 25.21 C ATOM 846 C TRP A 53 -3.674 6.054 3.802 1.00 53.11 C ATOM 847 O TRP A 53 -3.936 6.730 4.798 1.00 50.14 O ATOM 848 CB TRP A 53 -2.392 7.577 2.256 1.00 5.45 C ATOM 849 CG TRP A 53 -1.077 6.868 2.456 1.00 10.12 C ATOM 850 CD1 TRP A 53 -0.419 6.750 3.634 1.00 42.01 C ATOM 851 CD2 TRP A 53 -0.257 6.149 1.480 1.00 63.11 C ATOM 852 NE1 TRP A 53 0.724 5.994 3.456 1.00 71.24 N ATOM 853 CE2 TRP A 53 0.873 5.596 2.150 1.00 31.42 C ATOM 854 CE3 TRP A 53 -0.344 5.917 0.090 1.00 53.10 C ATOM 855 CZ2 TRP A 53 1.835 4.814 1.493 1.00 32.53 C ATOM 856 CZ3 TRP A 53 0.645 5.184 -0.593 1.00 31.33 C ATOM 857 CH2 TRP A 53 1.729 4.625 0.105 1.00 72.33 C ATOM 0 H TRP A 53 -4.639 8.548 2.162 1.00 71.51 H new ATOM 0 HA TRP A 53 -3.655 5.934 1.669 1.00 25.21 H new ATOM 0 HB2 TRP A 53 -2.400 8.008 1.255 1.00 5.45 H new ATOM 0 HB3 TRP A 53 -2.445 8.407 2.960 1.00 5.45 H new ATOM 0 HD1 TRP A 53 -0.739 7.182 4.571 1.00 42.01 H new ATOM 0 HE1 TRP A 53 1.377 5.760 4.203 1.00 71.24 H new ATOM 0 HE3 TRP A 53 -1.186 6.310 -0.460 1.00 53.10 H new ATOM 0 HZ2 TRP A 53 2.646 4.364 2.047 1.00 32.53 H new ATOM 0 HZ3 TRP A 53 0.570 5.050 -1.662 1.00 31.33 H new ATOM 0 HH2 TRP A 53 2.477 4.053 -0.423 1.00 72.33 H new ATOM 868 N ALA A 54 -3.304 4.775 3.853 1.00 71.14 N ATOM 869 CA ALA A 54 -2.971 4.006 5.045 1.00 50.01 C ATOM 870 C ALA A 54 -1.453 3.949 5.188 1.00 12.02 C ATOM 871 O ALA A 54 -0.768 3.619 4.217 1.00 24.22 O ATOM 872 CB ALA A 54 -3.474 2.578 4.876 1.00 53.22 C ATOM 0 H ALA A 54 -3.225 4.214 3.005 1.00 71.14 H new ATOM 0 HA ALA A 54 -3.427 4.473 5.918 1.00 50.01 H new ATOM 0 HB1 ALA A 54 -3.228 1.998 5.765 1.00 53.22 H new ATOM 0 HB2 ALA A 54 -4.555 2.587 4.737 1.00 53.22 H new ATOM 0 HB3 ALA A 54 -3.000 2.126 4.005 1.00 53.22 H new ATOM 878 N LEU A 55 -0.938 4.269 6.375 1.00 51.22 N ATOM 879 CA LEU A 55 0.478 4.161 6.711 1.00 73.22 C ATOM 880 C LEU A 55 0.853 2.688 6.901 1.00 42.44 C ATOM 881 O LEU A 55 -0.013 1.859 7.179 1.00 24.11 O ATOM 882 CB LEU A 55 0.791 5.003 7.964 1.00 52.31 C ATOM 883 CG LEU A 55 0.769 6.520 7.674 1.00 41.03 C ATOM 884 CD1 LEU A 55 0.697 7.375 8.942 1.00 45.22 C ATOM 885 CD2 LEU A 55 2.002 6.947 6.859 1.00 4.04 C ATOM 0 H LEU A 55 -1.508 4.618 7.146 1.00 51.22 H new ATOM 0 HA LEU A 55 1.082 4.556 5.894 1.00 73.22 H new ATOM 0 HB2 LEU A 55 0.064 4.774 8.743 1.00 52.31 H new ATOM 0 HB3 LEU A 55 1.771 4.724 8.351 1.00 52.31 H new ATOM 0 HG LEU A 55 -0.141 6.693 7.099 1.00 41.03 H new ATOM 0 HD11 LEU A 55 0.685 8.430 8.669 1.00 45.22 H new ATOM 0 HD12 LEU A 55 -0.211 7.132 9.493 1.00 45.22 H new ATOM 0 HD13 LEU A 55 1.566 7.172 9.567 1.00 45.22 H new ATOM 0 HD21 LEU A 55 1.960 8.020 6.670 1.00 4.04 H new ATOM 0 HD22 LEU A 55 2.907 6.713 7.419 1.00 4.04 H new ATOM 0 HD23 LEU A 55 2.014 6.411 5.910 1.00 4.04 H new ATOM 897 N LEU A 56 2.137 2.360 6.728 1.00 33.41 N ATOM 898 CA LEU A 56 2.629 0.988 6.623 1.00 22.45 C ATOM 899 C LEU A 56 3.904 0.812 7.450 1.00 70.50 C ATOM 900 O LEU A 56 4.878 1.548 7.249 1.00 70.40 O ATOM 901 CB LEU A 56 2.943 0.637 5.159 1.00 10.34 C ATOM 902 CG LEU A 56 1.805 0.750 4.130 1.00 21.31 C ATOM 903 CD1 LEU A 56 2.393 0.447 2.743 1.00 30.22 C ATOM 904 CD2 LEU A 56 0.656 -0.220 4.409 1.00 62.52 C ATOM 0 H LEU A 56 2.877 3.058 6.656 1.00 33.41 H new ATOM 0 HA LEU A 56 1.850 0.326 7.000 1.00 22.45 H new ATOM 0 HB2 LEU A 56 3.758 1.281 4.828 1.00 10.34 H new ATOM 0 HB3 LEU A 56 3.316 -0.387 5.134 1.00 10.34 H new ATOM 0 HG LEU A 56 1.392 1.757 4.187 1.00 21.31 H new ATOM 0 HD11 LEU A 56 1.607 0.520 1.991 1.00 30.22 H new ATOM 0 HD12 LEU A 56 3.180 1.166 2.516 1.00 30.22 H new ATOM 0 HD13 LEU A 56 2.809 -0.560 2.736 1.00 30.22 H new ATOM 0 HD21 LEU A 56 -0.118 -0.095 3.651 1.00 62.52 H new ATOM 0 HD22 LEU A 56 1.029 -1.244 4.381 1.00 62.52 H new ATOM 0 HD23 LEU A 56 0.236 -0.013 5.393 1.00 62.52 H new ATOM 916 N ASP A 57 3.887 -0.173 8.348 1.00 61.53 N ATOM 917 CA ASP A 57 4.963 -0.597 9.252 1.00 50.03 C ATOM 918 C ASP A 57 5.776 -1.768 8.685 1.00 31.13 C ATOM 919 O ASP A 57 5.538 -2.218 7.563 1.00 24.55 O ATOM 920 CB ASP A 57 4.344 -1.004 10.594 1.00 72.10 C ATOM 921 CG ASP A 57 3.430 -2.216 10.416 1.00 43.23 C ATOM 922 OD1 ASP A 57 3.941 -3.352 10.310 1.00 62.52 O ATOM 923 OD2 ASP A 57 2.202 -2.019 10.275 1.00 42.03 O ATOM 0 H ASP A 57 3.051 -0.744 8.474 1.00 61.53 H new ATOM 0 HA ASP A 57 5.650 0.240 9.376 1.00 50.03 H new ATOM 0 HB2 ASP A 57 5.133 -1.238 11.309 1.00 72.10 H new ATOM 0 HB3 ASP A 57 3.776 -0.170 11.007 1.00 72.10 H new ATOM 928 N GLU A 58 6.772 -2.247 9.442 1.00 70.50 N ATOM 929 CA GLU A 58 7.715 -3.255 8.951 1.00 53.04 C ATOM 930 C GLU A 58 7.152 -4.666 8.857 1.00 70.43 C ATOM 931 O GLU A 58 7.529 -5.404 7.954 1.00 5.35 O ATOM 932 CB GLU A 58 9.032 -3.296 9.718 1.00 5.25 C ATOM 933 CG GLU A 58 8.901 -3.471 11.221 1.00 4.11 C ATOM 934 CD GLU A 58 10.204 -4.024 11.819 1.00 25.42 C ATOM 935 OE1 GLU A 58 10.413 -5.258 11.868 1.00 61.41 O ATOM 936 OE2 GLU A 58 11.105 -3.237 12.187 1.00 30.04 O ATOM 0 H GLU A 58 6.944 -1.949 10.402 1.00 70.50 H new ATOM 0 HA GLU A 58 7.911 -2.908 7.937 1.00 53.04 H new ATOM 0 HB2 GLU A 58 9.637 -4.113 9.325 1.00 5.25 H new ATOM 0 HB3 GLU A 58 9.577 -2.372 9.522 1.00 5.25 H new ATOM 0 HG2 GLU A 58 8.660 -2.514 11.684 1.00 4.11 H new ATOM 0 HG3 GLU A 58 8.077 -4.149 11.443 1.00 4.11 H new ATOM 943 N GLU A 59 6.283 -5.055 9.778 1.00 33.52 N ATOM 944 CA GLU A 59 5.644 -6.369 9.738 1.00 11.41 C ATOM 945 C GLU A 59 4.672 -6.439 8.563 1.00 63.52 C ATOM 946 O GLU A 59 4.506 -7.496 7.953 1.00 51.31 O ATOM 947 CB GLU A 59 4.929 -6.711 11.055 1.00 71.54 C ATOM 948 CG GLU A 59 5.845 -6.673 12.292 1.00 1.34 C ATOM 949 CD GLU A 59 5.529 -7.761 13.330 1.00 1.05 C ATOM 950 OE1 GLU A 59 4.363 -8.194 13.468 1.00 70.32 O ATOM 951 OE2 GLU A 59 6.488 -8.270 13.958 1.00 53.32 O ATOM 0 H GLU A 59 6.000 -4.477 10.569 1.00 33.52 H new ATOM 0 HA GLU A 59 6.429 -7.113 9.603 1.00 11.41 H new ATOM 0 HB2 GLU A 59 4.107 -6.011 11.203 1.00 71.54 H new ATOM 0 HB3 GLU A 59 4.490 -7.705 10.971 1.00 71.54 H new ATOM 0 HG2 GLU A 59 6.881 -6.781 11.969 1.00 1.34 H new ATOM 0 HG3 GLU A 59 5.759 -5.695 12.766 1.00 1.34 H new ATOM 958 N THR A 60 4.062 -5.310 8.223 1.00 45.22 N ATOM 959 CA THR A 60 3.261 -5.143 7.031 1.00 5.23 C ATOM 960 C THR A 60 4.170 -5.182 5.791 1.00 72.41 C ATOM 961 O THR A 60 3.867 -5.903 4.836 1.00 1.01 O ATOM 962 CB THR A 60 2.452 -3.845 7.197 1.00 73.13 C ATOM 963 OG1 THR A 60 1.632 -3.953 8.356 1.00 50.31 O ATOM 964 CG2 THR A 60 1.551 -3.554 5.994 1.00 11.24 C ATOM 0 H THR A 60 4.117 -4.464 8.790 1.00 45.22 H new ATOM 0 HA THR A 60 2.547 -5.954 6.886 1.00 5.23 H new ATOM 0 HB THR A 60 3.168 -3.028 7.286 1.00 73.13 H new ATOM 0 HG1 THR A 60 1.774 -3.172 8.931 1.00 50.31 H new ATOM 0 HG21 THR A 60 1.004 -2.627 6.165 1.00 11.24 H new ATOM 0 HG22 THR A 60 2.162 -3.454 5.097 1.00 11.24 H new ATOM 0 HG23 THR A 60 0.844 -4.373 5.862 1.00 11.24 H new ATOM 972 N LEU A 61 5.300 -4.466 5.767 1.00 1.25 N ATOM 973 CA LEU A 61 6.206 -4.431 4.632 1.00 41.33 C ATOM 974 C LEU A 61 7.330 -5.433 4.864 1.00 53.02 C ATOM 975 O LEU A 61 8.511 -5.065 4.873 1.00 61.10 O ATOM 976 CB LEU A 61 6.722 -3.002 4.454 1.00 61.33 C ATOM 977 CG LEU A 61 5.677 -2.067 3.831 1.00 4.45 C ATOM 978 CD1 LEU A 61 5.965 -0.645 4.296 1.00 45.20 C ATOM 979 CD2 LEU A 61 5.729 -2.151 2.303 1.00 24.42 C ATOM 0 H LEU A 61 5.608 -3.889 6.550 1.00 1.25 H new ATOM 0 HA LEU A 61 5.697 -4.715 3.711 1.00 41.33 H new ATOM 0 HB2 LEU A 61 7.025 -2.606 5.423 1.00 61.33 H new ATOM 0 HB3 LEU A 61 7.611 -3.017 3.824 1.00 61.33 H new ATOM 0 HG LEU A 61 4.677 -2.365 4.148 1.00 4.45 H new ATOM 0 HD11 LEU A 61 5.232 0.035 3.863 1.00 45.20 H new ATOM 0 HD12 LEU A 61 5.905 -0.599 5.383 1.00 45.20 H new ATOM 0 HD13 LEU A 61 6.965 -0.353 3.975 1.00 45.20 H new ATOM 0 HD21 LEU A 61 4.982 -1.482 1.876 1.00 24.42 H new ATOM 0 HD22 LEU A 61 6.720 -1.857 1.956 1.00 24.42 H new ATOM 0 HD23 LEU A 61 5.523 -3.174 1.988 1.00 24.42 H new ATOM 991 N LYS A 62 6.960 -6.707 5.021 1.00 23.45 N ATOM 992 CA LYS A 62 7.918 -7.787 5.186 1.00 4.35 C ATOM 993 C LYS A 62 7.745 -8.844 4.115 1.00 64.34 C ATOM 994 O LYS A 62 6.672 -8.988 3.527 1.00 13.43 O ATOM 995 CB LYS A 62 7.791 -8.403 6.585 1.00 5.41 C ATOM 996 CG LYS A 62 9.094 -8.214 7.365 1.00 70.53 C ATOM 997 CD LYS A 62 8.979 -8.664 8.826 1.00 32.11 C ATOM 998 CE LYS A 62 9.956 -7.876 9.705 1.00 23.42 C ATOM 999 NZ LYS A 62 11.365 -8.112 9.320 1.00 74.43 N ATOM 0 H LYS A 62 5.987 -7.012 5.036 1.00 23.45 H new ATOM 0 HA LYS A 62 8.920 -7.370 5.079 1.00 4.35 H new ATOM 0 HB2 LYS A 62 6.966 -7.936 7.123 1.00 5.41 H new ATOM 0 HB3 LYS A 62 7.558 -9.465 6.503 1.00 5.41 H new ATOM 0 HG2 LYS A 62 9.890 -8.777 6.877 1.00 70.53 H new ATOM 0 HG3 LYS A 62 9.382 -7.163 7.334 1.00 70.53 H new ATOM 0 HD2 LYS A 62 7.959 -8.514 9.180 1.00 32.11 H new ATOM 0 HD3 LYS A 62 9.190 -9.731 8.903 1.00 32.11 H new ATOM 0 HE2 LYS A 62 9.733 -6.812 9.630 1.00 23.42 H new ATOM 0 HE3 LYS A 62 9.813 -8.158 10.748 1.00 23.42 H new ATOM 0 HZ1 LYS A 62 11.994 -7.642 10.002 1.00 74.43 H new ATOM 0 HZ2 LYS A 62 11.558 -9.134 9.318 1.00 74.43 H new ATOM 0 HZ3 LYS A 62 11.534 -7.726 8.369 1.00 74.43 H new ATOM 1013 N GLU A 63 8.796 -9.624 3.905 1.00 33.31 N ATOM 1014 CA GLU A 63 8.876 -10.629 2.860 1.00 13.33 C ATOM 1015 C GLU A 63 8.891 -12.012 3.530 1.00 22.11 C ATOM 1016 O GLU A 63 9.926 -12.447 4.044 1.00 71.32 O ATOM 1017 CB GLU A 63 10.087 -10.396 1.931 1.00 51.22 C ATOM 1018 CG GLU A 63 10.386 -8.926 1.570 1.00 21.15 C ATOM 1019 CD GLU A 63 11.307 -8.163 2.553 1.00 1.04 C ATOM 1020 OE1 GLU A 63 11.340 -8.455 3.776 1.00 50.53 O ATOM 1021 OE2 GLU A 63 12.031 -7.263 2.055 1.00 64.11 O ATOM 0 H GLU A 63 9.640 -9.572 4.475 1.00 33.31 H new ATOM 0 HA GLU A 63 8.005 -10.562 2.207 1.00 13.33 H new ATOM 0 HB2 GLU A 63 10.972 -10.821 2.406 1.00 51.22 H new ATOM 0 HB3 GLU A 63 9.924 -10.951 1.007 1.00 51.22 H new ATOM 0 HG2 GLU A 63 10.842 -8.901 0.581 1.00 21.15 H new ATOM 0 HG3 GLU A 63 9.440 -8.390 1.498 1.00 21.15 H new ATOM 1028 N GLY A 64 7.754 -12.705 3.592 1.00 1.11 N ATOM 1029 CA GLY A 64 7.593 -13.962 4.310 1.00 13.01 C ATOM 1030 C GLY A 64 6.208 -14.578 4.100 1.00 22.25 C ATOM 1031 O GLY A 64 5.383 -14.042 3.361 1.00 73.52 O ATOM 0 H GLY A 64 6.898 -12.396 3.131 1.00 1.11 H new ATOM 0 HA2 GLY A 64 8.356 -14.667 3.979 1.00 13.01 H new ATOM 0 HA3 GLY A 64 7.755 -13.793 5.375 1.00 13.01 H new ATOM 1035 N ARG A 65 5.947 -15.725 4.742 1.00 13.25 N ATOM 1036 CA ARG A 65 4.591 -16.244 4.934 1.00 31.51 C ATOM 1037 C ARG A 65 4.206 -16.078 6.393 1.00 25.33 C ATOM 1038 O ARG A 65 5.047 -16.237 7.286 1.00 11.03 O ATOM 1039 CB ARG A 65 4.458 -17.732 4.586 1.00 22.24 C ATOM 1040 CG ARG A 65 4.964 -18.090 3.193 1.00 42.30 C ATOM 1041 CD ARG A 65 4.469 -19.455 2.714 1.00 22.12 C ATOM 1042 NE ARG A 65 4.762 -20.534 3.674 1.00 30.15 N ATOM 1043 CZ ARG A 65 4.253 -21.771 3.640 1.00 24.31 C ATOM 1044 NH1 ARG A 65 3.465 -22.181 2.651 1.00 51.40 N ATOM 1045 NH2 ARG A 65 4.548 -22.619 4.615 1.00 52.44 N ATOM 0 H ARG A 65 6.674 -16.318 5.143 1.00 13.25 H new ATOM 0 HA ARG A 65 3.941 -15.682 4.264 1.00 31.51 H new ATOM 0 HB2 ARG A 65 5.008 -18.318 5.323 1.00 22.24 H new ATOM 0 HB3 ARG A 65 3.410 -18.021 4.666 1.00 22.24 H new ATOM 0 HG2 ARG A 65 4.643 -17.324 2.487 1.00 42.30 H new ATOM 0 HG3 ARG A 65 6.054 -18.084 3.195 1.00 42.30 H new ATOM 0 HD2 ARG A 65 3.393 -19.408 2.544 1.00 22.12 H new ATOM 0 HD3 ARG A 65 4.933 -19.690 1.756 1.00 22.12 H new ATOM 0 HE ARG A 65 5.410 -20.319 4.432 1.00 30.15 H new ATOM 0 HH11 ARG A 65 3.232 -21.546 1.888 1.00 51.40 H new ATOM 0 HH12 ARG A 65 3.093 -23.131 2.655 1.00 51.40 H new ATOM 0 HH21 ARG A 65 5.156 -22.326 5.379 1.00 52.44 H new ATOM 0 HH22 ARG A 65 4.167 -23.565 4.601 1.00 52.44 H new ATOM 1059 N THR A 66 2.924 -15.907 6.631 1.00 12.22 N ATOM 1060 CA THR A 66 2.355 -15.591 7.928 1.00 43.13 C ATOM 1061 C THR A 66 1.243 -16.607 8.204 1.00 65.51 C ATOM 1062 O THR A 66 0.983 -17.484 7.365 1.00 41.13 O ATOM 1063 CB THR A 66 1.969 -14.101 7.879 1.00 11.13 C ATOM 1064 OG1 THR A 66 3.151 -13.387 7.563 1.00 53.04 O ATOM 1065 CG2 THR A 66 1.432 -13.518 9.178 1.00 70.43 C ATOM 0 H THR A 66 2.219 -15.987 5.898 1.00 12.22 H new ATOM 0 HA THR A 66 3.025 -15.690 8.782 1.00 43.13 H new ATOM 0 HB THR A 66 1.163 -14.013 7.150 1.00 11.13 H new ATOM 0 HG1 THR A 66 2.952 -12.428 7.519 1.00 53.04 H new ATOM 0 HG21 THR A 66 1.192 -12.465 9.032 1.00 70.43 H new ATOM 0 HG22 THR A 66 0.533 -14.058 9.475 1.00 70.43 H new ATOM 0 HG23 THR A 66 2.186 -13.613 9.959 1.00 70.43 H new ATOM 1146 N THR A 73 -2.922 -18.694 5.392 1.00 21.12 N ATOM 1147 CA THR A 73 -1.520 -18.445 5.098 1.00 23.24 C ATOM 1148 C THR A 73 -1.426 -17.241 4.158 1.00 14.42 C ATOM 1149 O THR A 73 -1.567 -17.362 2.940 1.00 62.32 O ATOM 1150 CB THR A 73 -0.895 -19.729 4.525 1.00 22.15 C ATOM 1151 OG1 THR A 73 -0.901 -20.749 5.514 1.00 51.42 O ATOM 1152 CG2 THR A 73 0.560 -19.536 4.085 1.00 21.32 C ATOM 0 HA THR A 73 -0.952 -18.195 5.994 1.00 23.24 H new ATOM 0 HB THR A 73 -1.495 -19.999 3.656 1.00 22.15 H new ATOM 0 HG1 THR A 73 -1.713 -20.673 6.057 1.00 51.42 H new ATOM 0 HG21 THR A 73 0.948 -20.475 3.690 1.00 21.32 H new ATOM 0 HG22 THR A 73 0.608 -18.769 3.312 1.00 21.32 H new ATOM 0 HG23 THR A 73 1.161 -19.227 4.940 1.00 21.32 H new ATOM 1160 N TYR A 74 -1.201 -16.065 4.739 1.00 34.42 N ATOM 1161 CA TYR A 74 -0.943 -14.824 4.028 1.00 1.35 C ATOM 1162 C TYR A 74 0.529 -14.807 3.626 1.00 41.30 C ATOM 1163 O TYR A 74 1.404 -14.901 4.493 1.00 3.45 O ATOM 1164 CB TYR A 74 -1.262 -13.655 4.972 1.00 42.00 C ATOM 1165 CG TYR A 74 -1.245 -12.264 4.373 1.00 33.34 C ATOM 1166 CD1 TYR A 74 -1.929 -11.987 3.175 1.00 64.51 C ATOM 1167 CD2 TYR A 74 -0.628 -11.217 5.082 1.00 51.31 C ATOM 1168 CE1 TYR A 74 -1.978 -10.673 2.677 1.00 30.43 C ATOM 1169 CE2 TYR A 74 -0.688 -9.901 4.599 1.00 25.43 C ATOM 1170 CZ TYR A 74 -1.375 -9.622 3.400 1.00 43.02 C ATOM 1171 OH TYR A 74 -1.465 -8.341 2.950 1.00 4.01 O ATOM 0 H TYR A 74 -1.194 -15.950 5.753 1.00 34.42 H new ATOM 0 HA TYR A 74 -1.560 -14.737 3.133 1.00 1.35 H new ATOM 0 HB2 TYR A 74 -2.249 -13.827 5.402 1.00 42.00 H new ATOM 0 HB3 TYR A 74 -0.547 -13.679 5.794 1.00 42.00 H new ATOM 0 HD1 TYR A 74 -2.418 -12.786 2.637 1.00 64.51 H new ATOM 0 HD2 TYR A 74 -0.105 -11.427 6.003 1.00 51.31 H new ATOM 0 HE1 TYR A 74 -2.477 -10.468 1.741 1.00 30.43 H new ATOM 0 HE2 TYR A 74 -0.208 -9.102 5.145 1.00 25.43 H new ATOM 0 HH TYR A 74 -0.995 -7.743 3.568 1.00 4.01 H new ATOM 1181 N ILE A 75 0.851 -14.688 2.342 1.00 12.31 N ATOM 1182 CA ILE A 75 2.213 -14.473 1.869 1.00 72.24 C ATOM 1183 C ILE A 75 2.372 -12.981 1.560 1.00 61.53 C ATOM 1184 O ILE A 75 1.396 -12.269 1.325 1.00 52.20 O ATOM 1185 CB ILE A 75 2.496 -15.413 0.677 1.00 31.53 C ATOM 1186 CG1 ILE A 75 2.189 -16.882 1.065 1.00 4.42 C ATOM 1187 CG2 ILE A 75 3.960 -15.318 0.204 1.00 2.21 C ATOM 1188 CD1 ILE A 75 0.926 -17.428 0.408 1.00 64.53 C ATOM 0 H ILE A 75 0.163 -14.739 1.591 1.00 12.31 H new ATOM 0 HA ILE A 75 2.962 -14.725 2.620 1.00 72.24 H new ATOM 0 HB ILE A 75 1.847 -15.096 -0.140 1.00 31.53 H new ATOM 0 HG12 ILE A 75 3.036 -17.509 0.785 1.00 4.42 H new ATOM 0 HG13 ILE A 75 2.086 -16.950 2.148 1.00 4.42 H new ATOM 0 HG21 ILE A 75 4.116 -15.995 -0.636 1.00 2.21 H new ATOM 0 HG22 ILE A 75 4.176 -14.296 -0.109 1.00 2.21 H new ATOM 0 HG23 ILE A 75 4.625 -15.595 1.022 1.00 2.21 H new ATOM 0 HD11 ILE A 75 0.770 -18.460 0.722 1.00 64.53 H new ATOM 0 HD12 ILE A 75 0.070 -16.824 0.708 1.00 64.53 H new ATOM 0 HD13 ILE A 75 1.035 -17.391 -0.676 1.00 64.53 H new ATOM 1200 N SER A 76 3.605 -12.490 1.626 1.00 22.41 N ATOM 1201 CA SER A 76 3.989 -11.112 1.390 1.00 13.32 C ATOM 1202 C SER A 76 5.412 -11.180 0.839 1.00 43.24 C ATOM 1203 O SER A 76 6.245 -11.903 1.392 1.00 34.44 O ATOM 1204 CB SER A 76 3.856 -10.373 2.733 1.00 31.45 C ATOM 1205 OG SER A 76 4.185 -8.998 2.701 1.00 45.42 O ATOM 0 H SER A 76 4.404 -13.080 1.859 1.00 22.41 H new ATOM 0 HA SER A 76 3.374 -10.566 0.675 1.00 13.32 H new ATOM 0 HB2 SER A 76 2.830 -10.476 3.086 1.00 31.45 H new ATOM 0 HB3 SER A 76 4.496 -10.866 3.465 1.00 31.45 H new ATOM 0 HG SER A 76 5.158 -8.896 2.649 1.00 45.42 H new ATOM 1211 N HIS A 77 5.704 -10.498 -0.268 1.00 63.51 N ATOM 1212 CA HIS A 77 7.031 -10.424 -0.875 1.00 52.11 C ATOM 1213 C HIS A 77 7.051 -9.328 -1.946 1.00 72.24 C ATOM 1214 O HIS A 77 6.162 -8.478 -1.999 1.00 64.40 O ATOM 1215 CB HIS A 77 7.550 -11.810 -1.348 1.00 50.04 C ATOM 1216 CG HIS A 77 6.615 -12.854 -1.936 1.00 43.13 C ATOM 1217 ND1 HIS A 77 6.913 -14.200 -1.966 1.00 52.34 N ATOM 1218 CD2 HIS A 77 5.394 -12.703 -2.545 1.00 62.41 C ATOM 1219 CE1 HIS A 77 5.917 -14.841 -2.596 1.00 61.52 C ATOM 1220 NE2 HIS A 77 4.968 -13.970 -2.966 1.00 13.35 N ATOM 0 H HIS A 77 5.002 -9.966 -0.782 1.00 63.51 H new ATOM 0 HA HIS A 77 7.756 -10.130 -0.116 1.00 52.11 H new ATOM 0 HB2 HIS A 77 8.321 -11.621 -2.094 1.00 50.04 H new ATOM 0 HB3 HIS A 77 8.041 -12.272 -0.492 1.00 50.04 H new ATOM 0 HD2 HIS A 77 4.858 -11.775 -2.676 1.00 62.41 H new ATOM 0 HE1 HIS A 77 5.885 -15.905 -2.779 1.00 61.52 H new ATOM 0 HE2 HIS A 77 4.102 -14.187 -3.459 1.00 13.35 H new ATOM 1228 N PHE A 78 8.094 -9.286 -2.774 1.00 22.41 N ATOM 1229 CA PHE A 78 8.108 -8.570 -4.027 1.00 10.44 C ATOM 1230 C PHE A 78 8.373 -9.632 -5.094 1.00 64.32 C ATOM 1231 O PHE A 78 9.140 -10.566 -4.821 1.00 70.30 O ATOM 1232 CB PHE A 78 9.181 -7.478 -3.942 1.00 10.24 C ATOM 1233 CG PHE A 78 10.596 -7.994 -4.092 1.00 50.21 C ATOM 1234 CD1 PHE A 78 11.237 -8.681 -3.043 1.00 52.13 C ATOM 1235 CD2 PHE A 78 11.233 -7.865 -5.335 1.00 63.41 C ATOM 1236 CE1 PHE A 78 12.514 -9.238 -3.249 1.00 33.12 C ATOM 1237 CE2 PHE A 78 12.525 -8.379 -5.522 1.00 23.21 C ATOM 1238 CZ PHE A 78 13.175 -9.052 -4.476 1.00 25.31 C ATOM 0 H PHE A 78 8.972 -9.766 -2.576 1.00 22.41 H new ATOM 0 HA PHE A 78 7.179 -8.055 -4.270 1.00 10.44 H new ATOM 0 HB2 PHE A 78 8.992 -6.735 -4.717 1.00 10.24 H new ATOM 0 HB3 PHE A 78 9.091 -6.968 -2.983 1.00 10.24 H new ATOM 0 HD1 PHE A 78 10.751 -8.780 -2.084 1.00 52.13 H new ATOM 0 HD2 PHE A 78 10.728 -7.369 -6.150 1.00 63.41 H new ATOM 0 HE1 PHE A 78 12.986 -9.809 -2.463 1.00 33.12 H new ATOM 0 HE2 PHE A 78 13.021 -8.256 -6.474 1.00 23.21 H new ATOM 0 HZ PHE A 78 14.179 -9.426 -4.613 1.00 25.31 H new ATOM 1248 N THR A 79 7.750 -9.537 -6.270 1.00 21.24 N ATOM 1249 CA THR A 79 7.977 -10.524 -7.321 1.00 43.23 C ATOM 1250 C THR A 79 9.035 -9.993 -8.295 1.00 52.44 C ATOM 1251 O THR A 79 9.802 -10.768 -8.861 1.00 72.22 O ATOM 1252 CB THR A 79 6.660 -10.907 -8.029 1.00 41.20 C ATOM 1253 OG1 THR A 79 6.103 -9.791 -8.680 1.00 54.12 O ATOM 1254 CG2 THR A 79 5.562 -11.467 -7.107 1.00 61.21 C ATOM 0 H THR A 79 7.093 -8.796 -6.515 1.00 21.24 H new ATOM 0 HA THR A 79 8.356 -11.444 -6.877 1.00 43.23 H new ATOM 0 HB THR A 79 6.958 -11.695 -8.721 1.00 41.20 H new ATOM 0 HG1 THR A 79 5.270 -10.054 -9.124 1.00 54.12 H new ATOM 0 HG21 THR A 79 4.678 -11.706 -7.698 1.00 61.21 H new ATOM 0 HG22 THR A 79 5.925 -12.370 -6.616 1.00 61.21 H new ATOM 0 HG23 THR A 79 5.305 -10.722 -6.354 1.00 61.21 H new ATOM 1262 N VAL A 80 9.119 -8.674 -8.470 1.00 4.12 N ATOM 1263 CA VAL A 80 9.808 -8.076 -9.617 1.00 54.04 C ATOM 1264 C VAL A 80 11.231 -7.715 -9.207 1.00 10.01 C ATOM 1265 O VAL A 80 11.435 -6.844 -8.365 1.00 23.33 O ATOM 1266 CB VAL A 80 9.000 -6.896 -10.196 1.00 30.32 C ATOM 1267 CG1 VAL A 80 9.733 -6.216 -11.356 1.00 44.33 C ATOM 1268 CG2 VAL A 80 7.636 -7.375 -10.709 1.00 12.04 C ATOM 0 H VAL A 80 8.715 -7.993 -7.827 1.00 4.12 H new ATOM 0 HA VAL A 80 9.881 -8.793 -10.434 1.00 54.04 H new ATOM 0 HB VAL A 80 8.872 -6.179 -9.385 1.00 30.32 H new ATOM 0 HG11 VAL A 80 9.129 -5.391 -11.734 1.00 44.33 H new ATOM 0 HG12 VAL A 80 10.692 -5.833 -11.006 1.00 44.33 H new ATOM 0 HG13 VAL A 80 9.900 -6.939 -12.154 1.00 44.33 H new ATOM 0 HG21 VAL A 80 7.081 -6.528 -11.113 1.00 12.04 H new ATOM 0 HG22 VAL A 80 7.783 -8.120 -11.491 1.00 12.04 H new ATOM 0 HG23 VAL A 80 7.073 -7.818 -9.887 1.00 12.04 H new ATOM 1278 N ASN A 81 12.224 -8.406 -9.764 1.00 44.11 N ATOM 1279 CA ASN A 81 13.621 -8.314 -9.355 1.00 33.23 C ATOM 1280 C ASN A 81 14.426 -7.620 -10.444 1.00 51.14 C ATOM 1281 O ASN A 81 15.030 -8.259 -11.306 1.00 14.33 O ATOM 1282 CB ASN A 81 14.133 -9.727 -9.024 1.00 14.14 C ATOM 1283 CG ASN A 81 15.652 -9.852 -8.952 1.00 44.04 C ATOM 1284 OD1 ASN A 81 16.232 -10.686 -9.644 1.00 51.00 O ATOM 1285 ND2 ASN A 81 16.335 -9.115 -8.095 1.00 61.21 N ATOM 0 H ASN A 81 12.074 -9.061 -10.531 1.00 44.11 H new ATOM 0 HA ASN A 81 13.732 -7.709 -8.455 1.00 33.23 H new ATOM 0 HB2 ASN A 81 13.710 -10.038 -8.068 1.00 14.14 H new ATOM 0 HB3 ASN A 81 13.760 -10.420 -9.778 1.00 14.14 H new ATOM 0 HD21 ASN A 81 17.344 -9.238 -8.007 1.00 61.21 H new ATOM 0 HD22 ASN A 81 15.854 -8.423 -7.521 1.00 61.21 H new ATOM 1292 N GLU A 82 14.452 -6.292 -10.387 1.00 11.01 N ATOM 1293 CA GLU A 82 15.188 -5.431 -11.309 1.00 61.42 C ATOM 1294 C GLU A 82 15.974 -4.417 -10.461 1.00 3.02 C ATOM 1295 O GLU A 82 15.634 -4.224 -9.284 1.00 73.42 O ATOM 1296 CB GLU A 82 14.206 -4.764 -12.299 1.00 22.21 C ATOM 1297 CG GLU A 82 13.226 -5.781 -12.912 1.00 63.54 C ATOM 1298 CD GLU A 82 12.337 -5.236 -14.027 1.00 70.10 C ATOM 1299 OE1 GLU A 82 12.531 -4.088 -14.483 1.00 44.31 O ATOM 1300 OE2 GLU A 82 11.476 -6.023 -14.488 1.00 50.02 O ATOM 0 H GLU A 82 13.945 -5.767 -9.674 1.00 11.01 H new ATOM 0 HA GLU A 82 15.894 -5.995 -11.919 1.00 61.42 H new ATOM 0 HB2 GLU A 82 13.645 -3.985 -11.783 1.00 22.21 H new ATOM 0 HB3 GLU A 82 14.769 -4.277 -13.096 1.00 22.21 H new ATOM 0 HG2 GLU A 82 13.798 -6.622 -13.304 1.00 63.54 H new ATOM 0 HG3 GLU A 82 12.588 -6.171 -12.119 1.00 63.54 H new ATOM 1307 N PRO A 83 17.027 -3.779 -11.005 1.00 2.11 N ATOM 1308 CA PRO A 83 17.864 -2.857 -10.242 1.00 24.24 C ATOM 1309 C PRO A 83 17.096 -1.603 -9.819 1.00 31.04 C ATOM 1310 O PRO A 83 17.301 -1.113 -8.713 1.00 51.44 O ATOM 1311 CB PRO A 83 19.058 -2.519 -11.147 1.00 11.52 C ATOM 1312 CG PRO A 83 18.554 -2.828 -12.555 1.00 71.40 C ATOM 1313 CD PRO A 83 17.580 -3.979 -12.336 1.00 72.11 C ATOM 0 HA PRO A 83 18.196 -3.313 -9.309 1.00 24.24 H new ATOM 0 HB2 PRO A 83 19.350 -1.474 -11.048 1.00 11.52 H new ATOM 0 HB3 PRO A 83 19.932 -3.119 -10.895 1.00 11.52 H new ATOM 0 HG2 PRO A 83 18.062 -1.965 -13.004 1.00 71.40 H new ATOM 0 HG3 PRO A 83 19.369 -3.112 -13.220 1.00 71.40 H new ATOM 0 HD2 PRO A 83 16.794 -3.976 -13.091 1.00 72.11 H new ATOM 0 HD3 PRO A 83 18.088 -4.941 -12.409 1.00 72.11 H new ATOM 1321 N ALA A 84 16.201 -1.103 -10.676 1.00 11.22 N ATOM 1322 CA ALA A 84 15.555 0.196 -10.523 1.00 31.11 C ATOM 1323 C ALA A 84 14.025 0.107 -10.547 1.00 63.21 C ATOM 1324 O ALA A 84 13.355 1.139 -10.576 1.00 41.00 O ATOM 1325 CB ALA A 84 16.089 1.124 -11.616 1.00 42.34 C ATOM 0 H ALA A 84 15.902 -1.604 -11.512 1.00 11.22 H new ATOM 0 HA ALA A 84 15.798 0.599 -9.540 1.00 31.11 H new ATOM 0 HB1 ALA A 84 15.620 2.104 -11.523 1.00 42.34 H new ATOM 0 HB2 ALA A 84 17.169 1.227 -11.510 1.00 42.34 H new ATOM 0 HB3 ALA A 84 15.859 0.703 -12.595 1.00 42.34 H new ATOM 1331 N HIS A 85 13.469 -1.106 -10.533 1.00 13.02 N ATOM 1332 CA HIS A 85 12.039 -1.341 -10.448 1.00 74.11 C ATOM 1333 C HIS A 85 11.811 -2.528 -9.524 1.00 74.22 C ATOM 1334 O HIS A 85 12.530 -3.524 -9.634 1.00 62.54 O ATOM 1335 CB HIS A 85 11.467 -1.629 -11.840 1.00 62.33 C ATOM 1336 CG HIS A 85 9.976 -1.458 -11.852 1.00 21.24 C ATOM 1337 ND1 HIS A 85 9.326 -0.272 -12.080 1.00 43.02 N ATOM 1338 CD2 HIS A 85 9.040 -2.390 -11.498 1.00 22.14 C ATOM 1339 CE1 HIS A 85 8.017 -0.482 -11.863 1.00 24.41 C ATOM 1340 NE2 HIS A 85 7.797 -1.759 -11.516 1.00 11.23 N ATOM 0 H HIS A 85 14.017 -1.965 -10.582 1.00 13.02 H new ATOM 0 HA HIS A 85 11.534 -0.459 -10.055 1.00 74.11 H new ATOM 0 HB2 HIS A 85 11.920 -0.958 -12.570 1.00 62.33 H new ATOM 0 HB3 HIS A 85 11.723 -2.645 -12.140 1.00 62.33 H new ATOM 0 HD2 HIS A 85 9.229 -3.424 -11.250 1.00 22.14 H new ATOM 0 HE1 HIS A 85 7.249 0.272 -11.955 1.00 24.41 H new ATOM 0 HE2 HIS A 85 6.895 -2.186 -11.306 1.00 11.23 H new ATOM 1348 N LYS A 86 10.823 -2.448 -8.633 1.00 14.33 N ATOM 1349 CA LYS A 86 10.301 -3.601 -7.908 1.00 23.14 C ATOM 1350 C LYS A 86 8.807 -3.394 -7.714 1.00 14.14 C ATOM 1351 O LYS A 86 8.318 -2.268 -7.716 1.00 5.25 O ATOM 1352 CB LYS A 86 11.006 -3.795 -6.551 1.00 11.44 C ATOM 1353 CG LYS A 86 12.500 -4.126 -6.692 1.00 14.45 C ATOM 1354 CD LYS A 86 13.157 -4.548 -5.375 1.00 42.02 C ATOM 1355 CE LYS A 86 14.677 -4.338 -5.420 1.00 64.34 C ATOM 1356 NZ LYS A 86 15.308 -4.930 -6.622 1.00 32.23 N ATOM 0 H LYS A 86 10.360 -1.571 -8.394 1.00 14.33 H new ATOM 0 HA LYS A 86 10.490 -4.506 -8.485 1.00 23.14 H new ATOM 0 HB2 LYS A 86 10.895 -2.888 -5.957 1.00 11.44 H new ATOM 0 HB3 LYS A 86 10.512 -4.597 -6.003 1.00 11.44 H new ATOM 0 HG2 LYS A 86 12.620 -4.927 -7.422 1.00 14.45 H new ATOM 0 HG3 LYS A 86 13.022 -3.254 -7.087 1.00 14.45 H new ATOM 0 HD2 LYS A 86 12.732 -3.972 -4.553 1.00 42.02 H new ATOM 0 HD3 LYS A 86 12.938 -5.597 -5.176 1.00 42.02 H new ATOM 0 HE2 LYS A 86 14.892 -3.270 -5.393 1.00 64.34 H new ATOM 0 HE3 LYS A 86 15.125 -4.776 -4.528 1.00 64.34 H new ATOM 0 HZ1 LYS A 86 16.318 -5.095 -6.438 1.00 32.23 H new ATOM 0 HZ2 LYS A 86 14.845 -5.833 -6.848 1.00 32.23 H new ATOM 0 HZ3 LYS A 86 15.204 -4.278 -7.425 1.00 32.23 H new ATOM 1370 N GLU A 87 8.094 -4.483 -7.468 1.00 53.01 N ATOM 1371 CA GLU A 87 6.668 -4.498 -7.203 1.00 53.41 C ATOM 1372 C GLU A 87 6.489 -5.398 -5.997 1.00 5.43 C ATOM 1373 O GLU A 87 6.929 -6.552 -6.029 1.00 34.32 O ATOM 1374 CB GLU A 87 5.900 -5.030 -8.417 1.00 53.34 C ATOM 1375 CG GLU A 87 5.900 -4.016 -9.571 1.00 61.40 C ATOM 1376 CD GLU A 87 4.744 -4.245 -10.550 1.00 41.43 C ATOM 1377 OE1 GLU A 87 3.586 -4.380 -10.082 1.00 30.53 O ATOM 1378 OE2 GLU A 87 4.997 -4.255 -11.778 1.00 4.12 O ATOM 0 H GLU A 87 8.511 -5.414 -7.447 1.00 53.01 H new ATOM 0 HA GLU A 87 6.278 -3.499 -7.010 1.00 53.41 H new ATOM 0 HB2 GLU A 87 6.350 -5.965 -8.752 1.00 53.34 H new ATOM 0 HB3 GLU A 87 4.873 -5.255 -8.129 1.00 53.34 H new ATOM 0 HG2 GLU A 87 5.834 -3.007 -9.164 1.00 61.40 H new ATOM 0 HG3 GLU A 87 6.846 -4.081 -10.108 1.00 61.40 H new ATOM 1385 N PHE A 88 5.955 -4.835 -4.913 1.00 65.30 N ATOM 1386 CA PHE A 88 5.598 -5.562 -3.708 1.00 3.41 C ATOM 1387 C PHE A 88 4.181 -6.099 -3.869 1.00 43.41 C ATOM 1388 O PHE A 88 3.350 -5.502 -4.560 1.00 61.22 O ATOM 1389 CB PHE A 88 5.717 -4.650 -2.486 1.00 24.51 C ATOM 1390 CG PHE A 88 6.073 -5.353 -1.186 1.00 74.24 C ATOM 1391 CD1 PHE A 88 7.427 -5.509 -0.828 1.00 14.11 C ATOM 1392 CD2 PHE A 88 5.065 -5.790 -0.304 1.00 11.03 C ATOM 1393 CE1 PHE A 88 7.771 -6.060 0.418 1.00 42.42 C ATOM 1394 CE2 PHE A 88 5.413 -6.286 0.966 1.00 32.23 C ATOM 1395 CZ PHE A 88 6.763 -6.423 1.321 1.00 62.20 C ATOM 0 H PHE A 88 5.756 -3.836 -4.853 1.00 65.30 H new ATOM 0 HA PHE A 88 6.279 -6.399 -3.554 1.00 3.41 H new ATOM 0 HB2 PHE A 88 6.474 -3.893 -2.690 1.00 24.51 H new ATOM 0 HB3 PHE A 88 4.771 -4.126 -2.350 1.00 24.51 H new ATOM 0 HD1 PHE A 88 8.203 -5.204 -1.514 1.00 14.11 H new ATOM 0 HD2 PHE A 88 4.028 -5.744 -0.602 1.00 11.03 H new ATOM 0 HE1 PHE A 88 8.809 -6.203 0.679 1.00 42.42 H new ATOM 0 HE2 PHE A 88 4.640 -6.561 1.668 1.00 32.23 H new ATOM 0 HZ PHE A 88 7.027 -6.810 2.294 1.00 62.20 H new ATOM 1405 N GLU A 89 3.901 -7.210 -3.203 1.00 5.12 N ATOM 1406 CA GLU A 89 2.652 -7.937 -3.287 1.00 50.04 C ATOM 1407 C GLU A 89 2.440 -8.616 -1.940 1.00 33.33 C ATOM 1408 O GLU A 89 3.407 -9.071 -1.321 1.00 1.01 O ATOM 1409 CB GLU A 89 2.787 -8.999 -4.388 1.00 70.30 C ATOM 1410 CG GLU A 89 1.766 -8.898 -5.514 1.00 12.11 C ATOM 1411 CD GLU A 89 1.878 -10.132 -6.412 1.00 11.22 C ATOM 1412 OE1 GLU A 89 1.426 -11.226 -5.999 1.00 21.44 O ATOM 1413 OE2 GLU A 89 2.453 -10.025 -7.515 1.00 70.20 O ATOM 0 H GLU A 89 4.568 -7.643 -2.565 1.00 5.12 H new ATOM 0 HA GLU A 89 1.813 -7.281 -3.520 1.00 50.04 H new ATOM 0 HB2 GLU A 89 3.786 -8.929 -4.818 1.00 70.30 H new ATOM 0 HB3 GLU A 89 2.705 -9.985 -3.931 1.00 70.30 H new ATOM 0 HG2 GLU A 89 0.760 -8.824 -5.102 1.00 12.11 H new ATOM 0 HG3 GLU A 89 1.939 -7.993 -6.097 1.00 12.11 H new ATOM 1420 N ALA A 90 1.190 -8.747 -1.513 1.00 24.25 N ATOM 1421 CA ALA A 90 0.814 -9.679 -0.463 1.00 34.13 C ATOM 1422 C ALA A 90 -0.615 -10.142 -0.701 1.00 53.34 C ATOM 1423 O ALA A 90 -1.449 -9.354 -1.161 1.00 25.24 O ATOM 1424 CB ALA A 90 0.953 -9.012 0.905 1.00 62.30 C ATOM 0 H ALA A 90 0.409 -8.208 -1.887 1.00 24.25 H new ATOM 0 HA ALA A 90 1.475 -10.545 -0.481 1.00 34.13 H new ATOM 0 HB1 ALA A 90 0.669 -9.719 1.685 1.00 62.30 H new ATOM 0 HB2 ALA A 90 1.987 -8.702 1.055 1.00 62.30 H new ATOM 0 HB3 ALA A 90 0.302 -8.139 0.952 1.00 62.30 H new ATOM 1430 N GLY A 91 -0.910 -11.392 -0.359 1.00 52.20 N ATOM 1431 CA GLY A 91 -2.188 -12.045 -0.578 1.00 72.33 C ATOM 1432 C GLY A 91 -2.150 -13.453 0.001 1.00 14.01 C ATOM 1433 O GLY A 91 -1.100 -13.937 0.430 1.00 73.41 O ATOM 0 H GLY A 91 -0.232 -12.001 0.099 1.00 52.20 H new ATOM 0 HA2 GLY A 91 -2.986 -11.470 -0.109 1.00 72.33 H new ATOM 0 HA3 GLY A 91 -2.409 -12.086 -1.645 1.00 72.33 H new ATOM 1437 N TYR A 92 -3.313 -14.092 0.084 1.00 42.14 N ATOM 1438 CA TYR A 92 -3.418 -15.442 0.616 1.00 50.00 C ATOM 1439 C TYR A 92 -3.064 -16.467 -0.444 1.00 34.54 C ATOM 1440 O TYR A 92 -3.255 -16.233 -1.641 1.00 45.34 O ATOM 1441 CB TYR A 92 -4.824 -15.674 1.171 1.00 63.52 C ATOM 1442 CG TYR A 92 -4.966 -15.016 2.519 1.00 61.22 C ATOM 1443 CD1 TYR A 92 -5.275 -13.647 2.611 1.00 21.53 C ATOM 1444 CD2 TYR A 92 -4.662 -15.755 3.674 1.00 11.35 C ATOM 1445 CE1 TYR A 92 -5.251 -13.014 3.860 1.00 54.10 C ATOM 1446 CE2 TYR A 92 -4.650 -15.124 4.924 1.00 24.22 C ATOM 1447 CZ TYR A 92 -4.932 -13.745 5.018 1.00 73.30 C ATOM 1448 OH TYR A 92 -4.855 -13.102 6.211 1.00 54.43 O ATOM 0 H TYR A 92 -4.202 -13.690 -0.214 1.00 42.14 H new ATOM 0 HA TYR A 92 -2.705 -15.559 1.432 1.00 50.00 H new ATOM 0 HB2 TYR A 92 -5.566 -15.271 0.482 1.00 63.52 H new ATOM 0 HB3 TYR A 92 -5.017 -16.743 1.258 1.00 63.52 H new ATOM 0 HD1 TYR A 92 -5.529 -13.087 1.723 1.00 21.53 H new ATOM 0 HD2 TYR A 92 -4.438 -16.809 3.598 1.00 11.35 H new ATOM 0 HE1 TYR A 92 -5.478 -11.961 3.934 1.00 54.10 H new ATOM 0 HE2 TYR A 92 -4.425 -15.692 5.815 1.00 24.22 H new ATOM 0 HH TYR A 92 -4.627 -13.745 6.915 1.00 54.43 H new ATOM 1458 N ASP A 93 -2.582 -17.623 0.015 1.00 65.41 N ATOM 1459 CA ASP A 93 -2.215 -18.712 -0.879 1.00 70.23 C ATOM 1460 C ASP A 93 -3.439 -19.114 -1.702 1.00 25.11 C ATOM 1461 O ASP A 93 -4.562 -19.113 -1.193 1.00 14.21 O ATOM 1462 CB ASP A 93 -1.667 -19.919 -0.103 1.00 71.10 C ATOM 1463 CG ASP A 93 -0.735 -20.794 -0.950 1.00 45.40 C ATOM 1464 OD1 ASP A 93 -0.545 -20.517 -2.160 1.00 44.33 O ATOM 1465 OD2 ASP A 93 -0.150 -21.742 -0.371 1.00 52.34 O ATOM 0 H ASP A 93 -2.438 -17.825 1.004 1.00 65.41 H new ATOM 0 HA ASP A 93 -1.421 -18.369 -1.542 1.00 70.23 H new ATOM 0 HB2 ASP A 93 -1.128 -19.566 0.776 1.00 71.10 H new ATOM 0 HB3 ASP A 93 -2.500 -20.524 0.256 1.00 71.10 H new ATOM 1470 N GLU A 94 -3.235 -19.434 -2.978 1.00 74.50 N ATOM 1471 CA GLU A 94 -4.262 -19.817 -3.950 1.00 32.45 C ATOM 1472 C GLU A 94 -5.268 -18.707 -4.272 1.00 5.25 C ATOM 1473 O GLU A 94 -6.197 -18.921 -5.043 1.00 25.11 O ATOM 1474 CB GLU A 94 -4.930 -21.116 -3.487 1.00 24.41 C ATOM 1475 CG GLU A 94 -5.454 -21.979 -4.646 1.00 72.24 C ATOM 1476 CD GLU A 94 -5.217 -23.477 -4.419 1.00 1.23 C ATOM 1477 OE1 GLU A 94 -5.979 -24.125 -3.663 1.00 53.10 O ATOM 1478 OE2 GLU A 94 -4.310 -24.050 -5.065 1.00 41.33 O ATOM 0 H GLU A 94 -2.300 -19.434 -3.385 1.00 74.50 H new ATOM 0 HA GLU A 94 -3.767 -19.992 -4.905 1.00 32.45 H new ATOM 0 HB2 GLU A 94 -4.214 -21.697 -2.906 1.00 24.41 H new ATOM 0 HB3 GLU A 94 -5.758 -20.873 -2.821 1.00 24.41 H new ATOM 0 HG2 GLU A 94 -6.521 -21.799 -4.775 1.00 72.24 H new ATOM 0 HG3 GLU A 94 -4.966 -21.674 -5.571 1.00 72.24 H new ATOM 1485 N SER A 95 -5.041 -17.500 -3.766 1.00 31.55 N ATOM 1486 CA SER A 95 -5.866 -16.311 -3.963 1.00 23.54 C ATOM 1487 C SER A 95 -5.099 -15.130 -4.588 1.00 5.15 C ATOM 1488 O SER A 95 -3.919 -15.253 -4.952 1.00 10.45 O ATOM 1489 CB SER A 95 -6.519 -15.980 -2.618 1.00 24.31 C ATOM 1490 OG SER A 95 -7.638 -16.818 -2.389 1.00 50.00 O ATOM 0 H SER A 95 -4.232 -17.313 -3.174 1.00 31.55 H new ATOM 0 HA SER A 95 -6.640 -16.516 -4.702 1.00 23.54 H new ATOM 0 HB2 SER A 95 -5.793 -16.105 -1.814 1.00 24.31 H new ATOM 0 HB3 SER A 95 -6.831 -14.936 -2.606 1.00 24.31 H new ATOM 0 HG SER A 95 -8.043 -16.595 -1.525 1.00 50.00 H new ATOM 1496 N GLU A 96 -5.812 -14.020 -4.816 1.00 21.21 N ATOM 1497 CA GLU A 96 -5.318 -12.784 -5.426 1.00 5.35 C ATOM 1498 C GLU A 96 -4.625 -11.892 -4.380 1.00 30.35 C ATOM 1499 O GLU A 96 -4.914 -12.022 -3.182 1.00 14.34 O ATOM 1500 CB GLU A 96 -6.505 -12.007 -6.035 1.00 65.43 C ATOM 1501 CG GLU A 96 -6.889 -12.532 -7.425 1.00 1.12 C ATOM 1502 CD GLU A 96 -7.931 -11.646 -8.117 1.00 13.02 C ATOM 1503 OE1 GLU A 96 -7.616 -10.468 -8.411 1.00 42.24 O ATOM 1504 OE2 GLU A 96 -9.059 -12.127 -8.375 1.00 42.10 O ATOM 0 H GLU A 96 -6.799 -13.959 -4.566 1.00 21.21 H new ATOM 0 HA GLU A 96 -4.595 -13.047 -6.199 1.00 5.35 H new ATOM 0 HB2 GLU A 96 -7.365 -12.081 -5.370 1.00 65.43 H new ATOM 0 HB3 GLU A 96 -6.247 -10.950 -6.106 1.00 65.43 H new ATOM 0 HG2 GLU A 96 -5.996 -12.592 -8.047 1.00 1.12 H new ATOM 0 HG3 GLU A 96 -7.281 -13.545 -7.332 1.00 1.12 H new ATOM 1511 N PRO A 97 -3.767 -10.944 -4.808 1.00 63.41 N ATOM 1512 CA PRO A 97 -3.147 -9.980 -3.913 1.00 33.15 C ATOM 1513 C PRO A 97 -4.147 -8.942 -3.397 1.00 1.21 C ATOM 1514 O PRO A 97 -5.191 -8.674 -3.993 1.00 64.42 O ATOM 1515 CB PRO A 97 -2.021 -9.324 -4.710 1.00 1.35 C ATOM 1516 CG PRO A 97 -2.500 -9.430 -6.155 1.00 44.21 C ATOM 1517 CD PRO A 97 -3.294 -10.737 -6.174 1.00 23.33 C ATOM 0 HA PRO A 97 -2.765 -10.476 -3.021 1.00 33.15 H new ATOM 0 HB2 PRO A 97 -1.870 -8.286 -4.412 1.00 1.35 H new ATOM 0 HB3 PRO A 97 -1.072 -9.839 -4.563 1.00 1.35 H new ATOM 0 HG2 PRO A 97 -3.121 -8.579 -6.435 1.00 44.21 H new ATOM 0 HG3 PRO A 97 -1.664 -9.458 -6.854 1.00 44.21 H new ATOM 0 HD2 PRO A 97 -4.130 -10.675 -6.871 1.00 23.33 H new ATOM 0 HD3 PRO A 97 -2.669 -11.568 -6.500 1.00 23.33 H new ATOM 1525 N SER A 98 -3.780 -8.334 -2.278 1.00 1.31 N ATOM 1526 CA SER A 98 -4.583 -7.520 -1.377 1.00 31.53 C ATOM 1527 C SER A 98 -3.819 -6.228 -1.043 1.00 44.12 C ATOM 1528 O SER A 98 -4.412 -5.167 -0.844 1.00 2.13 O ATOM 1529 CB SER A 98 -4.824 -8.431 -0.163 1.00 4.15 C ATOM 1530 OG SER A 98 -5.457 -7.819 0.936 1.00 64.21 O ATOM 0 H SER A 98 -2.818 -8.406 -1.946 1.00 1.31 H new ATOM 0 HA SER A 98 -5.535 -7.187 -1.791 1.00 31.53 H new ATOM 0 HB2 SER A 98 -5.428 -9.280 -0.482 1.00 4.15 H new ATOM 0 HB3 SER A 98 -3.864 -8.829 0.167 1.00 4.15 H new ATOM 0 HG SER A 98 -5.568 -8.474 1.656 1.00 64.21 H new ATOM 1536 N LEU A 99 -2.482 -6.277 -1.078 1.00 52.03 N ATOM 1537 CA LEU A 99 -1.601 -5.120 -1.020 1.00 4.05 C ATOM 1538 C LEU A 99 -0.751 -5.187 -2.282 1.00 43.34 C ATOM 1539 O LEU A 99 -0.196 -6.250 -2.580 1.00 50.32 O ATOM 1540 CB LEU A 99 -0.750 -5.187 0.263 1.00 11.41 C ATOM 1541 CG LEU A 99 0.215 -4.002 0.446 1.00 52.03 C ATOM 1542 CD1 LEU A 99 -0.514 -2.686 0.704 1.00 24.33 C ATOM 1543 CD2 LEU A 99 1.151 -4.247 1.632 1.00 51.44 C ATOM 0 H LEU A 99 -1.973 -7.158 -1.150 1.00 52.03 H new ATOM 0 HA LEU A 99 -2.142 -4.175 -0.982 1.00 4.05 H new ATOM 0 HB2 LEU A 99 -1.416 -5.234 1.125 1.00 11.41 H new ATOM 0 HB3 LEU A 99 -0.173 -6.112 0.255 1.00 11.41 H new ATOM 0 HG LEU A 99 0.773 -3.925 -0.487 1.00 52.03 H new ATOM 0 HD11 LEU A 99 0.214 -1.884 0.826 1.00 24.33 H new ATOM 0 HD12 LEU A 99 -1.166 -2.459 -0.140 1.00 24.33 H new ATOM 0 HD13 LEU A 99 -1.112 -2.773 1.611 1.00 24.33 H new ATOM 0 HD21 LEU A 99 1.825 -3.398 1.745 1.00 51.44 H new ATOM 0 HD22 LEU A 99 0.562 -4.366 2.542 1.00 51.44 H new ATOM 0 HD23 LEU A 99 1.733 -5.152 1.455 1.00 51.44 H new ATOM 1555 N ARG A 100 -0.670 -4.090 -3.041 1.00 64.31 N ATOM 1556 CA ARG A 100 0.163 -4.002 -4.241 1.00 13.15 C ATOM 1557 C ARG A 100 0.840 -2.637 -4.220 1.00 11.34 C ATOM 1558 O ARG A 100 0.144 -1.628 -4.073 1.00 45.00 O ATOM 1559 CB ARG A 100 -0.686 -4.230 -5.509 1.00 30.11 C ATOM 1560 CG ARG A 100 0.174 -4.747 -6.672 1.00 63.34 C ATOM 1561 CD ARG A 100 -0.521 -5.737 -7.613 1.00 53.23 C ATOM 1562 NE ARG A 100 -1.659 -5.167 -8.356 1.00 33.52 N ATOM 1563 CZ ARG A 100 -2.508 -5.904 -9.091 1.00 13.33 C ATOM 1564 NH1 ARG A 100 -2.343 -7.220 -9.201 1.00 61.41 N ATOM 1565 NH2 ARG A 100 -3.519 -5.321 -9.724 1.00 53.40 N ATOM 0 H ARG A 100 -1.185 -3.233 -2.837 1.00 64.31 H new ATOM 0 HA ARG A 100 0.926 -4.780 -4.255 1.00 13.15 H new ATOM 0 HB2 ARG A 100 -1.479 -4.946 -5.294 1.00 30.11 H new ATOM 0 HB3 ARG A 100 -1.169 -3.297 -5.798 1.00 30.11 H new ATOM 0 HG2 ARG A 100 0.515 -3.893 -7.258 1.00 63.34 H new ATOM 0 HG3 ARG A 100 1.062 -5.226 -6.260 1.00 63.34 H new ATOM 0 HD2 ARG A 100 0.210 -6.117 -8.326 1.00 53.23 H new ATOM 0 HD3 ARG A 100 -0.872 -6.589 -7.031 1.00 53.23 H new ATOM 0 HE ARG A 100 -1.810 -4.159 -8.310 1.00 33.52 H new ATOM 0 HH11 ARG A 100 -1.566 -7.678 -8.725 1.00 61.41 H new ATOM 0 HH12 ARG A 100 -2.993 -7.770 -9.762 1.00 61.41 H new ATOM 0 HH21 ARG A 100 -3.652 -4.312 -9.653 1.00 53.40 H new ATOM 0 HH22 ARG A 100 -4.163 -5.882 -10.282 1.00 53.40 H new ATOM 1579 N VAL A 101 2.173 -2.598 -4.258 1.00 2.05 N ATOM 1580 CA VAL A 101 2.957 -1.377 -4.092 1.00 52.21 C ATOM 1581 C VAL A 101 4.098 -1.406 -5.099 1.00 72.14 C ATOM 1582 O VAL A 101 5.090 -2.117 -4.909 1.00 2.41 O ATOM 1583 CB VAL A 101 3.452 -1.195 -2.636 1.00 30.21 C ATOM 1584 CG1 VAL A 101 4.037 0.214 -2.457 1.00 42.33 C ATOM 1585 CG2 VAL A 101 2.302 -1.361 -1.640 1.00 30.32 C ATOM 0 H VAL A 101 2.746 -3.429 -4.408 1.00 2.05 H new ATOM 0 HA VAL A 101 2.329 -0.507 -4.287 1.00 52.21 H new ATOM 0 HB VAL A 101 4.210 -1.955 -2.446 1.00 30.21 H new ATOM 0 HG11 VAL A 101 4.384 0.336 -1.431 1.00 42.33 H new ATOM 0 HG12 VAL A 101 4.874 0.350 -3.142 1.00 42.33 H new ATOM 0 HG13 VAL A 101 3.269 0.957 -2.671 1.00 42.33 H new ATOM 0 HG21 VAL A 101 2.677 -1.228 -0.625 1.00 30.32 H new ATOM 0 HG22 VAL A 101 1.534 -0.615 -1.843 1.00 30.32 H new ATOM 0 HG23 VAL A 101 1.874 -2.358 -1.741 1.00 30.32 H new ATOM 1595 N VAL A 102 3.950 -0.643 -6.179 1.00 24.13 N ATOM 1596 CA VAL A 102 5.007 -0.474 -7.164 1.00 41.31 C ATOM 1597 C VAL A 102 6.053 0.477 -6.573 1.00 65.52 C ATOM 1598 O VAL A 102 5.727 1.374 -5.789 1.00 30.22 O ATOM 1599 CB VAL A 102 4.396 0.055 -8.477 1.00 33.44 C ATOM 1600 CG1 VAL A 102 5.452 0.201 -9.580 1.00 14.11 C ATOM 1601 CG2 VAL A 102 3.325 -0.913 -8.992 1.00 31.53 C ATOM 0 H VAL A 102 3.096 -0.128 -6.393 1.00 24.13 H new ATOM 0 HA VAL A 102 5.498 -1.418 -7.399 1.00 41.31 H new ATOM 0 HB VAL A 102 3.967 1.031 -8.251 1.00 33.44 H new ATOM 0 HG11 VAL A 102 4.980 0.576 -10.488 1.00 14.11 H new ATOM 0 HG12 VAL A 102 6.222 0.901 -9.256 1.00 14.11 H new ATOM 0 HG13 VAL A 102 5.905 -0.770 -9.781 1.00 14.11 H new ATOM 0 HG21 VAL A 102 2.902 -0.527 -9.920 1.00 31.53 H new ATOM 0 HG22 VAL A 102 3.775 -1.889 -9.176 1.00 31.53 H new ATOM 0 HG23 VAL A 102 2.536 -1.012 -8.247 1.00 31.53 H new ATOM 1611 N PHE A 103 7.314 0.288 -6.960 1.00 2.05 N ATOM 1612 CA PHE A 103 8.433 1.123 -6.551 1.00 62.22 C ATOM 1613 C PHE A 103 9.341 1.361 -7.758 1.00 5.23 C ATOM 1614 O PHE A 103 9.855 0.417 -8.359 1.00 30.25 O ATOM 1615 CB PHE A 103 9.227 0.455 -5.417 1.00 74.14 C ATOM 1616 CG PHE A 103 8.527 0.351 -4.074 1.00 71.10 C ATOM 1617 CD1 PHE A 103 8.635 1.401 -3.141 1.00 25.23 C ATOM 1618 CD2 PHE A 103 7.834 -0.823 -3.721 1.00 52.24 C ATOM 1619 CE1 PHE A 103 8.073 1.270 -1.857 1.00 11.41 C ATOM 1620 CE2 PHE A 103 7.276 -0.950 -2.437 1.00 10.04 C ATOM 1621 CZ PHE A 103 7.398 0.091 -1.503 1.00 2.21 C ATOM 0 H PHE A 103 7.588 -0.471 -7.583 1.00 2.05 H new ATOM 0 HA PHE A 103 8.052 2.074 -6.180 1.00 62.22 H new ATOM 0 HB2 PHE A 103 9.502 -0.550 -5.738 1.00 74.14 H new ATOM 0 HB3 PHE A 103 10.155 1.010 -5.277 1.00 74.14 H new ATOM 0 HD1 PHE A 103 9.151 2.310 -3.412 1.00 25.23 H new ATOM 0 HD2 PHE A 103 7.731 -1.625 -4.436 1.00 52.24 H new ATOM 0 HE1 PHE A 103 8.161 2.077 -1.144 1.00 11.41 H new ATOM 0 HE2 PHE A 103 6.750 -1.854 -2.167 1.00 10.04 H new ATOM 0 HZ PHE A 103 6.974 -0.015 -0.515 1.00 2.21 H new ATOM 1631 N GLU A 104 9.571 2.632 -8.087 1.00 42.31 N ATOM 1632 CA GLU A 104 10.318 3.093 -9.256 1.00 21.24 C ATOM 1633 C GLU A 104 11.448 3.995 -8.758 1.00 54.44 C ATOM 1634 O GLU A 104 11.210 4.964 -8.024 1.00 25.53 O ATOM 1635 CB GLU A 104 9.352 3.825 -10.208 1.00 3.44 C ATOM 1636 CG GLU A 104 8.496 2.810 -10.979 1.00 63.12 C ATOM 1637 CD GLU A 104 7.271 3.375 -11.701 1.00 32.24 C ATOM 1638 OE1 GLU A 104 6.627 4.329 -11.198 1.00 41.21 O ATOM 1639 OE2 GLU A 104 6.867 2.808 -12.745 1.00 70.21 O ATOM 0 H GLU A 104 9.225 3.405 -7.518 1.00 42.31 H new ATOM 0 HA GLU A 104 10.757 2.267 -9.815 1.00 21.24 H new ATOM 0 HB2 GLU A 104 8.709 4.496 -9.639 1.00 3.44 H new ATOM 0 HB3 GLU A 104 9.917 4.441 -10.908 1.00 3.44 H new ATOM 0 HG2 GLU A 104 9.130 2.315 -11.715 1.00 63.12 H new ATOM 0 HG3 GLU A 104 8.160 2.044 -10.281 1.00 63.12 H new ATOM 1646 N LEU A 105 12.683 3.635 -9.103 1.00 74.24 N ATOM 1647 CA LEU A 105 13.909 4.317 -8.700 1.00 1.21 C ATOM 1648 C LEU A 105 14.256 5.411 -9.719 1.00 24.43 C ATOM 1649 O LEU A 105 14.574 5.093 -10.869 1.00 32.24 O ATOM 1650 CB LEU A 105 15.032 3.274 -8.608 1.00 30.25 C ATOM 1651 CG LEU A 105 16.402 3.818 -8.171 1.00 32.05 C ATOM 1652 CD1 LEU A 105 16.593 3.833 -6.657 1.00 53.14 C ATOM 1653 CD2 LEU A 105 17.510 2.962 -8.786 1.00 3.22 C ATOM 0 H LEU A 105 12.863 2.825 -9.696 1.00 74.24 H new ATOM 0 HA LEU A 105 13.779 4.795 -7.729 1.00 1.21 H new ATOM 0 HB2 LEU A 105 14.727 2.498 -7.906 1.00 30.25 H new ATOM 0 HB3 LEU A 105 15.143 2.797 -9.582 1.00 30.25 H new ATOM 0 HG LEU A 105 16.449 4.850 -8.520 1.00 32.05 H new ATOM 0 HD11 LEU A 105 17.580 4.228 -6.419 1.00 53.14 H new ATOM 0 HD12 LEU A 105 15.830 4.463 -6.200 1.00 53.14 H new ATOM 0 HD13 LEU A 105 16.505 2.818 -6.269 1.00 53.14 H new ATOM 0 HD21 LEU A 105 18.482 3.347 -8.477 1.00 3.22 H new ATOM 0 HD22 LEU A 105 17.404 1.931 -8.448 1.00 3.22 H new ATOM 0 HD23 LEU A 105 17.436 2.996 -9.873 1.00 3.22 H new ATOM 1665 N THR A 106 14.284 6.675 -9.293 1.00 3.33 N ATOM 1666 CA THR A 106 14.631 7.835 -10.114 1.00 20.44 C ATOM 1667 C THR A 106 15.554 8.765 -9.317 1.00 14.15 C ATOM 1668 O THR A 106 15.358 8.935 -8.114 1.00 71.24 O ATOM 1669 CB THR A 106 13.340 8.556 -10.538 1.00 62.42 C ATOM 1670 OG1 THR A 106 12.463 7.662 -11.202 1.00 44.21 O ATOM 1671 CG2 THR A 106 13.653 9.720 -11.479 1.00 24.52 C ATOM 0 H THR A 106 14.057 6.928 -8.331 1.00 3.33 H new ATOM 0 HA THR A 106 15.161 7.520 -11.013 1.00 20.44 H new ATOM 0 HB THR A 106 12.864 8.935 -9.633 1.00 62.42 H new ATOM 0 HG1 THR A 106 11.647 8.138 -11.463 1.00 44.21 H new ATOM 0 HG21 THR A 106 12.725 10.215 -11.766 1.00 24.52 H new ATOM 0 HG22 THR A 106 14.303 10.433 -10.972 1.00 24.52 H new ATOM 0 HG23 THR A 106 14.154 9.343 -12.371 1.00 24.52 H new ATOM 1679 N ASP A 107 16.548 9.382 -9.971 1.00 14.31 N ATOM 1680 CA ASP A 107 17.564 10.259 -9.354 1.00 13.23 C ATOM 1681 C ASP A 107 18.342 9.514 -8.243 1.00 41.34 C ATOM 1682 O ASP A 107 18.969 10.105 -7.362 1.00 3.41 O ATOM 1683 CB ASP A 107 16.920 11.592 -8.902 1.00 42.40 C ATOM 1684 CG ASP A 107 17.727 12.847 -9.275 1.00 74.04 C ATOM 1685 OD1 ASP A 107 18.791 13.092 -8.664 1.00 12.30 O ATOM 1686 OD2 ASP A 107 17.250 13.636 -10.127 1.00 55.55 O ATOM 0 H ASP A 107 16.675 9.284 -10.978 1.00 14.31 H new ATOM 0 HA ASP A 107 18.317 10.527 -10.096 1.00 13.23 H new ATOM 0 HB2 ASP A 107 15.926 11.669 -9.344 1.00 42.40 H new ATOM 0 HB3 ASP A 107 16.787 11.569 -7.820 1.00 42.40 H new ATOM 1691 N GLY A 108 18.294 8.175 -8.262 1.00 23.22 N ATOM 1692 CA GLY A 108 18.841 7.295 -7.241 1.00 44.51 C ATOM 1693 C GLY A 108 17.949 7.137 -6.007 1.00 53.14 C ATOM 1694 O GLY A 108 18.374 6.488 -5.060 1.00 70.23 O ATOM 0 H GLY A 108 17.853 7.662 -9.025 1.00 23.22 H new ATOM 0 HA2 GLY A 108 19.014 6.312 -7.679 1.00 44.51 H new ATOM 0 HA3 GLY A 108 19.811 7.680 -6.927 1.00 44.51 H new ATOM 1698 N LYS A 109 16.742 7.705 -5.952 1.00 41.11 N ATOM 1699 CA LYS A 109 15.793 7.564 -4.846 1.00 63.44 C ATOM 1700 C LYS A 109 14.628 6.676 -5.303 1.00 44.04 C ATOM 1701 O LYS A 109 14.229 6.761 -6.461 1.00 30.42 O ATOM 1702 CB LYS A 109 15.278 8.967 -4.486 1.00 60.02 C ATOM 1703 CG LYS A 109 16.350 10.002 -4.077 1.00 62.22 C ATOM 1704 CD LYS A 109 17.132 9.603 -2.816 1.00 62.20 C ATOM 1705 CE LYS A 109 18.494 8.967 -3.126 1.00 21.05 C ATOM 1706 NZ LYS A 109 19.642 9.868 -2.888 1.00 34.01 N ATOM 0 H LYS A 109 16.386 8.297 -6.703 1.00 41.11 H new ATOM 0 HA LYS A 109 16.266 7.107 -3.977 1.00 63.44 H new ATOM 0 HB2 LYS A 109 14.730 9.361 -5.342 1.00 60.02 H new ATOM 0 HB3 LYS A 109 14.565 8.871 -3.668 1.00 60.02 H new ATOM 0 HG2 LYS A 109 17.049 10.136 -4.902 1.00 62.22 H new ATOM 0 HG3 LYS A 109 15.869 10.965 -3.908 1.00 62.22 H new ATOM 0 HD2 LYS A 109 17.283 10.486 -2.195 1.00 62.20 H new ATOM 0 HD3 LYS A 109 16.535 8.902 -2.233 1.00 62.20 H new ATOM 0 HE2 LYS A 109 18.614 8.072 -2.515 1.00 21.05 H new ATOM 0 HE3 LYS A 109 18.506 8.646 -4.168 1.00 21.05 H new ATOM 0 HZ1 LYS A 109 20.526 9.372 -3.118 1.00 34.01 H new ATOM 0 HZ2 LYS A 109 19.552 10.712 -3.489 1.00 34.01 H new ATOM 0 HZ3 LYS A 109 19.656 10.155 -1.889 1.00 34.01 H new ATOM 1720 N TRP A 110 14.072 5.824 -4.437 1.00 1.21 N ATOM 1721 CA TRP A 110 12.856 5.072 -4.771 1.00 24.34 C ATOM 1722 C TRP A 110 11.638 5.939 -4.470 1.00 74.11 C ATOM 1723 O TRP A 110 11.642 6.652 -3.461 1.00 63.44 O ATOM 1724 CB TRP A 110 12.768 3.772 -3.955 1.00 24.15 C ATOM 1725 CG TRP A 110 13.814 2.748 -4.264 1.00 25.13 C ATOM 1726 CD1 TRP A 110 15.008 2.635 -3.646 1.00 51.41 C ATOM 1727 CD2 TRP A 110 13.798 1.696 -5.277 1.00 12.13 C ATOM 1728 NE1 TRP A 110 15.746 1.638 -4.238 1.00 63.14 N ATOM 1729 CE2 TRP A 110 15.049 1.012 -5.245 1.00 74.11 C ATOM 1730 CE3 TRP A 110 12.866 1.266 -6.242 1.00 61.31 C ATOM 1731 CZ2 TRP A 110 15.367 -0.022 -6.140 1.00 44.21 C ATOM 1732 CZ3 TRP A 110 13.154 0.202 -7.116 1.00 42.10 C ATOM 1733 CH2 TRP A 110 14.405 -0.438 -7.074 1.00 32.54 C ATOM 0 H TRP A 110 14.441 5.637 -3.504 1.00 1.21 H new ATOM 0 HA TRP A 110 12.887 4.812 -5.829 1.00 24.34 H new ATOM 0 HB2 TRP A 110 12.831 4.023 -2.896 1.00 24.15 H new ATOM 0 HB3 TRP A 110 11.787 3.326 -4.119 1.00 24.15 H new ATOM 0 HD1 TRP A 110 15.335 3.238 -2.811 1.00 51.41 H new ATOM 0 HE1 TRP A 110 16.697 1.392 -3.963 1.00 63.14 H new ATOM 0 HE3 TRP A 110 11.910 1.764 -6.312 1.00 61.31 H new ATOM 0 HZ2 TRP A 110 16.339 -0.491 -6.110 1.00 44.21 H new ATOM 0 HZ3 TRP A 110 12.408 -0.126 -7.825 1.00 42.10 H new ATOM 0 HH2 TRP A 110 14.625 -1.245 -7.757 1.00 32.54 H new ATOM 1744 N TYR A 111 10.573 5.794 -5.265 1.00 4.33 N ATOM 1745 CA TYR A 111 9.254 6.350 -4.985 1.00 45.33 C ATOM 1746 C TYR A 111 8.182 5.325 -5.340 1.00 63.41 C ATOM 1747 O TYR A 111 8.376 4.525 -6.257 1.00 12.12 O ATOM 1748 CB TYR A 111 9.020 7.622 -5.810 1.00 53.11 C ATOM 1749 CG TYR A 111 9.997 8.737 -5.521 1.00 43.02 C ATOM 1750 CD1 TYR A 111 9.759 9.607 -4.444 1.00 41.43 C ATOM 1751 CD2 TYR A 111 11.165 8.877 -6.293 1.00 72.33 C ATOM 1752 CE1 TYR A 111 10.709 10.581 -4.096 1.00 53.21 C ATOM 1753 CE2 TYR A 111 12.105 9.868 -5.971 1.00 12.32 C ATOM 1754 CZ TYR A 111 11.889 10.715 -4.859 1.00 2.24 C ATOM 1755 OH TYR A 111 12.815 11.649 -4.508 1.00 2.21 O ATOM 0 H TYR A 111 10.610 5.273 -6.141 1.00 4.33 H new ATOM 0 HA TYR A 111 9.200 6.597 -3.925 1.00 45.33 H new ATOM 0 HB2 TYR A 111 9.077 7.370 -6.869 1.00 53.11 H new ATOM 0 HB3 TYR A 111 8.009 7.983 -5.622 1.00 53.11 H new ATOM 0 HD1 TYR A 111 8.841 9.526 -3.881 1.00 41.43 H new ATOM 0 HD2 TYR A 111 11.338 8.222 -7.134 1.00 72.33 H new ATOM 0 HE1 TYR A 111 10.537 11.226 -3.247 1.00 53.21 H new ATOM 0 HE2 TYR A 111 12.994 9.984 -6.573 1.00 12.32 H new ATOM 0 HH TYR A 111 13.569 11.613 -5.133 1.00 2.21 H new ATOM 1765 N VAL A 112 7.041 5.366 -4.653 1.00 51.11 N ATOM 1766 CA VAL A 112 5.838 4.657 -5.073 1.00 62.22 C ATOM 1767 C VAL A 112 5.129 5.550 -6.096 1.00 51.30 C ATOM 1768 O VAL A 112 4.923 6.727 -5.782 1.00 4.02 O ATOM 1769 CB VAL A 112 4.969 4.409 -3.820 1.00 54.14 C ATOM 1770 CG1 VAL A 112 3.635 3.731 -4.133 1.00 54.13 C ATOM 1771 CG2 VAL A 112 5.704 3.560 -2.772 1.00 34.23 C ATOM 0 H VAL A 112 6.927 5.894 -3.788 1.00 51.11 H new ATOM 0 HA VAL A 112 6.051 3.691 -5.531 1.00 62.22 H new ATOM 0 HB VAL A 112 4.768 5.404 -3.423 1.00 54.14 H new ATOM 0 HG11 VAL A 112 3.075 3.586 -3.209 1.00 54.13 H new ATOM 0 HG12 VAL A 112 3.059 4.359 -4.813 1.00 54.13 H new ATOM 0 HG13 VAL A 112 3.819 2.764 -4.601 1.00 54.13 H new ATOM 0 HG21 VAL A 112 5.058 3.409 -1.907 1.00 34.23 H new ATOM 0 HG22 VAL A 112 5.964 2.593 -3.204 1.00 34.23 H new ATOM 0 HG23 VAL A 112 6.613 4.074 -2.460 1.00 34.23 H new ATOM 1781 N THR A 113 4.706 5.049 -7.265 1.00 72.12 N ATOM 1782 CA THR A 113 3.788 5.819 -8.130 1.00 43.33 C ATOM 1783 C THR A 113 2.476 5.063 -8.407 1.00 61.24 C ATOM 1784 O THR A 113 1.623 5.561 -9.148 1.00 60.21 O ATOM 1785 CB THR A 113 4.480 6.465 -9.368 1.00 33.22 C ATOM 1786 OG1 THR A 113 4.422 5.761 -10.593 1.00 34.21 O ATOM 1787 CG2 THR A 113 5.964 6.804 -9.131 1.00 55.00 C ATOM 0 H THR A 113 4.975 4.136 -7.631 1.00 72.12 H new ATOM 0 HA THR A 113 3.476 6.694 -7.560 1.00 43.33 H new ATOM 0 HB THR A 113 3.863 7.358 -9.474 1.00 33.22 H new ATOM 0 HG1 THR A 113 5.195 5.163 -10.663 1.00 34.21 H new ATOM 0 HG21 THR A 113 6.384 7.250 -10.033 1.00 55.00 H new ATOM 0 HG22 THR A 113 6.049 7.509 -8.304 1.00 55.00 H new ATOM 0 HG23 THR A 113 6.511 5.893 -8.889 1.00 55.00 H new ATOM 1795 N ASP A 114 2.244 3.918 -7.749 1.00 70.14 N ATOM 1796 CA ASP A 114 0.913 3.315 -7.652 1.00 5.15 C ATOM 1797 C ASP A 114 0.737 2.598 -6.304 1.00 22.13 C ATOM 1798 O ASP A 114 1.700 2.028 -5.792 1.00 64.42 O ATOM 1799 CB ASP A 114 0.765 2.279 -8.768 1.00 24.35 C ATOM 1800 CG ASP A 114 -0.655 1.750 -8.823 1.00 72.13 C ATOM 1801 OD1 ASP A 114 -1.561 2.552 -8.525 1.00 23.53 O ATOM 1802 OD2 ASP A 114 -0.851 0.580 -9.220 1.00 62.40 O ATOM 0 H ASP A 114 2.973 3.388 -7.272 1.00 70.14 H new ATOM 0 HA ASP A 114 0.163 4.101 -7.739 1.00 5.15 H new ATOM 0 HB2 ASP A 114 1.028 2.728 -9.725 1.00 24.35 H new ATOM 0 HB3 ASP A 114 1.459 1.455 -8.601 1.00 24.35 H new ATOM 1807 N CYS A 115 -0.463 2.633 -5.719 1.00 31.35 N ATOM 1808 CA CYS A 115 -0.817 2.047 -4.424 1.00 24.23 C ATOM 1809 C CYS A 115 -2.177 1.362 -4.565 1.00 4.45 C ATOM 1810 O CYS A 115 -3.103 1.985 -5.080 1.00 61.43 O ATOM 1811 CB CYS A 115 -0.894 3.204 -3.410 1.00 11.14 C ATOM 1812 SG CYS A 115 -1.640 2.800 -1.808 1.00 72.13 S ATOM 0 H CYS A 115 -1.257 3.096 -6.161 1.00 31.35 H new ATOM 0 HA CYS A 115 -0.086 1.310 -4.091 1.00 24.23 H new ATOM 0 HB2 CYS A 115 0.115 3.577 -3.236 1.00 11.14 H new ATOM 0 HB3 CYS A 115 -1.462 4.019 -3.859 1.00 11.14 H new ATOM 0 HG CYS A 115 -2.915 3.050 -1.848 1.00 72.13 H new ATOM 1818 N TYR A 116 -2.315 0.143 -4.041 1.00 5.02 N ATOM 1819 CA TYR A 116 -3.577 -0.575 -3.912 1.00 63.51 C ATOM 1820 C TYR A 116 -3.599 -1.228 -2.528 1.00 25.53 C ATOM 1821 O TYR A 116 -2.574 -1.788 -2.117 1.00 70.43 O ATOM 1822 CB TYR A 116 -3.626 -1.624 -5.022 1.00 52.14 C ATOM 1823 CG TYR A 116 -4.954 -2.319 -5.211 1.00 52.44 C ATOM 1824 CD1 TYR A 116 -5.967 -1.713 -5.980 1.00 72.14 C ATOM 1825 CD2 TYR A 116 -5.123 -3.632 -4.739 1.00 51.12 C ATOM 1826 CE1 TYR A 116 -7.127 -2.437 -6.317 1.00 45.01 C ATOM 1827 CE2 TYR A 116 -6.281 -4.355 -5.066 1.00 61.31 C ATOM 1828 CZ TYR A 116 -7.280 -3.773 -5.877 1.00 2.23 C ATOM 1829 OH TYR A 116 -8.403 -4.466 -6.198 1.00 73.44 O ATOM 0 H TYR A 116 -1.521 -0.387 -3.683 1.00 5.02 H new ATOM 0 HA TYR A 116 -4.443 0.081 -4.006 1.00 63.51 H new ATOM 0 HB2 TYR A 116 -3.351 -1.145 -5.962 1.00 52.14 H new ATOM 0 HB3 TYR A 116 -2.868 -2.380 -4.816 1.00 52.14 H new ATOM 0 HD1 TYR A 116 -5.854 -0.691 -6.312 1.00 72.14 H new ATOM 0 HD2 TYR A 116 -4.360 -4.086 -4.123 1.00 51.12 H new ATOM 0 HE1 TYR A 116 -7.900 -1.972 -6.911 1.00 45.01 H new ATOM 0 HE2 TYR A 116 -6.409 -5.361 -4.695 1.00 61.31 H new ATOM 0 HH TYR A 116 -8.350 -5.368 -5.820 1.00 73.44 H new ATOM 1839 N ASN A 117 -4.704 -1.120 -1.780 1.00 64.33 N ATOM 1840 CA ASN A 117 -4.807 -1.606 -0.397 1.00 70.21 C ATOM 1841 C ASN A 117 -6.230 -2.030 -0.053 1.00 23.45 C ATOM 1842 O ASN A 117 -7.183 -1.329 -0.403 1.00 30.52 O ATOM 1843 CB ASN A 117 -4.430 -0.491 0.590 1.00 4.31 C ATOM 1844 CG ASN A 117 -4.030 -1.024 1.972 1.00 61.20 C ATOM 1845 OD1 ASN A 117 -3.652 -2.178 2.153 1.00 2.04 O ATOM 1846 ND2 ASN A 117 -4.080 -0.171 2.981 1.00 31.14 N ATOM 0 H ASN A 117 -5.562 -0.688 -2.122 1.00 64.33 H new ATOM 0 HA ASN A 117 -4.131 -2.457 -0.317 1.00 70.21 H new ATOM 0 HB2 ASN A 117 -3.604 0.088 0.177 1.00 4.31 H new ATOM 0 HB3 ASN A 117 -5.274 0.190 0.700 1.00 4.31 H new ATOM 0 HD21 ASN A 117 -3.804 -0.470 3.916 1.00 31.14 H new ATOM 0 HD22 ASN A 117 -4.395 0.786 2.824 1.00 31.14 H new ATOM 1853 N ASP A 118 -6.371 -3.090 0.733 1.00 63.20 N ATOM 1854 CA ASP A 118 -7.624 -3.801 1.007 1.00 3.43 C ATOM 1855 C ASP A 118 -8.551 -3.093 2.017 1.00 45.44 C ATOM 1856 O ASP A 118 -9.292 -3.747 2.747 1.00 61.11 O ATOM 1857 CB ASP A 118 -7.286 -5.248 1.421 1.00 34.25 C ATOM 1858 CG ASP A 118 -8.191 -6.281 0.726 1.00 44.42 C ATOM 1859 OD1 ASP A 118 -8.109 -6.407 -0.519 1.00 32.45 O ATOM 1860 OD2 ASP A 118 -8.909 -7.052 1.409 1.00 33.22 O ATOM 0 H ASP A 118 -5.577 -3.502 1.224 1.00 63.20 H new ATOM 0 HA ASP A 118 -8.213 -3.808 0.090 1.00 3.43 H new ATOM 0 HB2 ASP A 118 -6.245 -5.459 1.178 1.00 34.25 H new ATOM 0 HB3 ASP A 118 -7.388 -5.348 2.502 1.00 34.25 H new ATOM 1865 N TRP A 119 -8.496 -1.756 2.112 1.00 42.32 N ATOM 1866 CA TRP A 119 -9.535 -0.943 2.762 1.00 10.05 C ATOM 1867 C TRP A 119 -10.694 -0.599 1.811 1.00 61.50 C ATOM 1868 O TRP A 119 -11.676 -0.007 2.253 1.00 12.22 O ATOM 1869 CB TRP A 119 -8.942 0.383 3.274 1.00 1.25 C ATOM 1870 CG TRP A 119 -8.254 0.361 4.605 1.00 50.24 C ATOM 1871 CD1 TRP A 119 -6.948 0.113 4.812 1.00 73.33 C ATOM 1872 CD2 TRP A 119 -8.809 0.613 5.932 1.00 52.02 C ATOM 1873 NE1 TRP A 119 -6.635 0.252 6.145 1.00 11.33 N ATOM 1874 CE2 TRP A 119 -7.751 0.578 6.892 1.00 41.22 C ATOM 1875 CE3 TRP A 119 -10.107 0.853 6.419 1.00 14.01 C ATOM 1876 CZ2 TRP A 119 -7.974 0.819 8.262 1.00 61.14 C ATOM 1877 CZ3 TRP A 119 -10.349 1.062 7.788 1.00 73.23 C ATOM 1878 CH2 TRP A 119 -9.286 1.060 8.705 1.00 41.22 C ATOM 0 H TRP A 119 -7.724 -1.205 1.737 1.00 42.32 H new ATOM 0 HA TRP A 119 -9.918 -1.545 3.586 1.00 10.05 H new ATOM 0 HB2 TRP A 119 -8.229 0.742 2.532 1.00 1.25 H new ATOM 0 HB3 TRP A 119 -9.747 1.116 3.323 1.00 1.25 H new ATOM 0 HD1 TRP A 119 -6.243 -0.158 4.040 1.00 73.33 H new ATOM 0 HE1 TRP A 119 -5.699 0.130 6.532 1.00 11.33 H new ATOM 0 HE3 TRP A 119 -10.935 0.877 5.726 1.00 14.01 H new ATOM 0 HZ2 TRP A 119 -7.150 0.819 8.960 1.00 61.14 H new ATOM 0 HZ3 TRP A 119 -11.358 1.225 8.136 1.00 73.23 H new ATOM 0 HH2 TRP A 119 -9.477 1.244 9.752 1.00 41.22 H new ATOM 1889 N TYR A 120 -10.584 -0.872 0.505 1.00 74.13 N ATOM 1890 CA TYR A 120 -11.503 -0.320 -0.494 1.00 74.14 C ATOM 1891 C TYR A 120 -11.948 -1.425 -1.461 1.00 63.52 C ATOM 1892 O TYR A 120 -11.602 -1.424 -2.648 1.00 53.34 O ATOM 1893 CB TYR A 120 -10.841 0.882 -1.197 1.00 54.33 C ATOM 1894 CG TYR A 120 -10.268 1.967 -0.289 1.00 74.12 C ATOM 1895 CD1 TYR A 120 -11.129 2.768 0.493 1.00 34.54 C ATOM 1896 CD2 TYR A 120 -8.875 2.189 -0.240 1.00 5.34 C ATOM 1897 CE1 TYR A 120 -10.601 3.768 1.337 1.00 53.01 C ATOM 1898 CE2 TYR A 120 -8.347 3.187 0.598 1.00 23.13 C ATOM 1899 CZ TYR A 120 -9.213 3.953 1.407 1.00 31.45 C ATOM 1900 OH TYR A 120 -8.749 4.893 2.264 1.00 51.14 O ATOM 0 H TYR A 120 -9.861 -1.477 0.115 1.00 74.13 H new ATOM 0 HA TYR A 120 -12.408 0.055 -0.016 1.00 74.14 H new ATOM 0 HB2 TYR A 120 -10.037 0.507 -1.831 1.00 54.33 H new ATOM 0 HB3 TYR A 120 -11.578 1.341 -1.855 1.00 54.33 H new ATOM 0 HD1 TYR A 120 -12.197 2.614 0.445 1.00 34.54 H new ATOM 0 HD2 TYR A 120 -8.213 1.591 -0.848 1.00 5.34 H new ATOM 0 HE1 TYR A 120 -11.262 4.387 1.925 1.00 53.01 H new ATOM 0 HE2 TYR A 120 -7.282 3.367 0.622 1.00 23.13 H new ATOM 0 HH TYR A 120 -7.770 4.922 2.219 1.00 51.14 H new ATOM 1910 N ASN A 121 -12.663 -2.417 -0.932 1.00 45.30 N ATOM 1911 CA ASN A 121 -12.871 -3.705 -1.595 1.00 1.13 C ATOM 1912 C ASN A 121 -14.163 -3.728 -2.410 1.00 63.50 C ATOM 1913 O ASN A 121 -14.950 -2.787 -2.378 1.00 62.34 O ATOM 1914 CB ASN A 121 -12.856 -4.808 -0.530 1.00 22.43 C ATOM 1915 CG ASN A 121 -11.541 -4.800 0.234 1.00 70.13 C ATOM 1916 OD1 ASN A 121 -10.494 -4.575 -0.368 1.00 44.12 O ATOM 1917 ND2 ASN A 121 -11.559 -5.005 1.532 1.00 14.32 N ATOM 0 H ASN A 121 -13.119 -2.349 -0.022 1.00 45.30 H new ATOM 0 HA ASN A 121 -12.065 -3.874 -2.309 1.00 1.13 H new ATOM 0 HB2 ASN A 121 -13.685 -4.663 0.162 1.00 22.43 H new ATOM 0 HB3 ASN A 121 -13.002 -5.779 -1.003 1.00 22.43 H new ATOM 0 HD21 ASN A 121 -10.689 -4.979 2.064 1.00 14.32 H new ATOM 0 HD22 ASN A 121 -12.443 -5.190 2.007 1.00 14.32 H new ATOM 1924 N PHE A 122 -14.431 -4.808 -3.154 1.00 41.21 N ATOM 1925 CA PHE A 122 -15.706 -4.922 -3.869 1.00 71.30 C ATOM 1926 C PHE A 122 -16.883 -4.962 -2.887 1.00 62.24 C ATOM 1927 O PHE A 122 -17.983 -4.520 -3.226 1.00 72.14 O ATOM 1928 CB PHE A 122 -15.710 -6.142 -4.807 1.00 30.42 C ATOM 1929 CG PHE A 122 -15.585 -5.829 -6.292 1.00 11.15 C ATOM 1930 CD1 PHE A 122 -14.749 -4.794 -6.761 1.00 13.44 C ATOM 1931 CD2 PHE A 122 -16.305 -6.601 -7.223 1.00 70.11 C ATOM 1932 CE1 PHE A 122 -14.645 -4.534 -8.139 1.00 74.52 C ATOM 1933 CE2 PHE A 122 -16.177 -6.362 -8.601 1.00 34.31 C ATOM 1934 CZ PHE A 122 -15.349 -5.326 -9.063 1.00 54.02 C ATOM 0 H PHE A 122 -13.798 -5.598 -3.275 1.00 41.21 H new ATOM 0 HA PHE A 122 -15.825 -4.034 -4.490 1.00 71.30 H new ATOM 0 HB2 PHE A 122 -14.889 -6.800 -4.522 1.00 30.42 H new ATOM 0 HB3 PHE A 122 -16.634 -6.698 -4.647 1.00 30.42 H new ATOM 0 HD1 PHE A 122 -14.186 -4.198 -6.058 1.00 13.44 H new ATOM 0 HD2 PHE A 122 -16.962 -7.384 -6.875 1.00 70.11 H new ATOM 0 HE1 PHE A 122 -14.023 -3.724 -8.489 1.00 74.52 H new ATOM 0 HE2 PHE A 122 -16.716 -6.976 -9.307 1.00 34.31 H new ATOM 0 HZ PHE A 122 -15.254 -5.139 -10.122 1.00 54.02 H new ATOM 1944 N ASP A 123 -16.671 -5.442 -1.661 1.00 22.32 N ATOM 1945 CA ASP A 123 -17.599 -5.418 -0.547 1.00 72.24 C ATOM 1946 C ASP A 123 -17.529 -4.098 0.226 1.00 3.15 C ATOM 1947 O ASP A 123 -17.728 -4.055 1.437 1.00 4.44 O ATOM 1948 CB ASP A 123 -17.368 -6.662 0.314 1.00 30.11 C ATOM 1949 CG ASP A 123 -16.016 -6.750 1.017 1.00 25.43 C ATOM 1950 OD1 ASP A 123 -14.985 -6.805 0.315 1.00 12.04 O ATOM 1951 OD2 ASP A 123 -15.982 -6.894 2.262 1.00 33.15 O ATOM 0 H ASP A 123 -15.787 -5.885 -1.411 1.00 22.32 H new ATOM 0 HA ASP A 123 -18.625 -5.458 -0.914 1.00 72.24 H new ATOM 0 HB2 ASP A 123 -18.152 -6.706 1.070 1.00 30.11 H new ATOM 0 HB3 ASP A 123 -17.484 -7.543 -0.317 1.00 30.11 H new ATOM 1956 N LEU A 124 -17.279 -2.997 -0.481 1.00 24.32 N ATOM 1957 CA LEU A 124 -17.313 -1.628 0.005 1.00 54.44 C ATOM 1958 C LEU A 124 -18.063 -0.769 -1.018 1.00 41.10 C ATOM 1959 O LEU A 124 -17.442 -0.234 -1.934 1.00 54.10 O ATOM 1960 CB LEU A 124 -15.880 -1.141 0.271 1.00 71.33 C ATOM 1961 CG LEU A 124 -15.739 0.177 1.049 1.00 45.42 C ATOM 1962 CD1 LEU A 124 -16.243 1.421 0.338 1.00 65.44 C ATOM 1963 CD2 LEU A 124 -16.435 0.093 2.408 1.00 65.33 C ATOM 0 H LEU A 124 -17.032 -3.046 -1.470 1.00 24.32 H new ATOM 0 HA LEU A 124 -17.846 -1.554 0.953 1.00 54.44 H new ATOM 0 HB2 LEU A 124 -15.351 -1.920 0.820 1.00 71.33 H new ATOM 0 HB3 LEU A 124 -15.374 -1.027 -0.688 1.00 71.33 H new ATOM 0 HG LEU A 124 -14.660 0.292 1.154 1.00 45.42 H new ATOM 0 HD11 LEU A 124 -16.094 2.291 0.978 1.00 65.44 H new ATOM 0 HD12 LEU A 124 -15.692 1.556 -0.593 1.00 65.44 H new ATOM 0 HD13 LEU A 124 -17.305 1.309 0.118 1.00 65.44 H new ATOM 0 HD21 LEU A 124 -16.318 1.040 2.936 1.00 65.33 H new ATOM 0 HD22 LEU A 124 -17.495 -0.113 2.262 1.00 65.33 H new ATOM 0 HD23 LEU A 124 -15.988 -0.708 2.997 1.00 65.33 H new ATOM 1975 N PRO A 125 -19.398 -0.672 -0.969 1.00 74.23 N ATOM 1976 CA PRO A 125 -20.125 0.231 -1.844 1.00 33.32 C ATOM 1977 C PRO A 125 -19.898 1.683 -1.416 1.00 23.54 C ATOM 1978 O PRO A 125 -19.667 1.978 -0.240 1.00 12.33 O ATOM 1979 CB PRO A 125 -21.585 -0.186 -1.705 1.00 61.54 C ATOM 1980 CG PRO A 125 -21.668 -0.689 -0.269 1.00 53.03 C ATOM 1981 CD PRO A 125 -20.291 -1.299 -0.016 1.00 45.04 C ATOM 0 HA PRO A 125 -19.796 0.174 -2.882 1.00 33.32 H new ATOM 0 HB2 PRO A 125 -22.261 0.651 -1.878 1.00 61.54 H new ATOM 0 HB3 PRO A 125 -21.851 -0.964 -2.420 1.00 61.54 H new ATOM 0 HG2 PRO A 125 -21.880 0.122 0.427 1.00 53.03 H new ATOM 0 HG3 PRO A 125 -22.461 -1.427 -0.149 1.00 53.03 H new ATOM 0 HD2 PRO A 125 -19.963 -1.113 1.007 1.00 45.04 H new ATOM 0 HD3 PRO A 125 -20.312 -2.380 -0.153 1.00 45.04 H new ATOM 1989 N ILE A 126 -20.038 2.601 -2.372 1.00 33.15 N ATOM 1990 CA ILE A 126 -19.761 4.027 -2.203 1.00 34.35 C ATOM 1991 C ILE A 126 -20.563 4.599 -1.021 1.00 52.12 C ATOM 1992 O ILE A 126 -20.094 5.533 -0.370 1.00 34.55 O ATOM 1993 CB ILE A 126 -20.015 4.787 -3.533 1.00 41.33 C ATOM 1994 CG1 ILE A 126 -19.180 4.217 -4.710 1.00 34.45 C ATOM 1995 CG2 ILE A 126 -19.683 6.285 -3.419 1.00 42.11 C ATOM 1996 CD1 ILE A 126 -19.966 3.265 -5.606 1.00 44.44 C ATOM 0 H ILE A 126 -20.356 2.366 -3.312 1.00 33.15 H new ATOM 0 HA ILE A 126 -18.708 4.164 -1.957 1.00 34.35 H new ATOM 0 HB ILE A 126 -21.078 4.652 -3.732 1.00 41.33 H new ATOM 0 HG12 ILE A 126 -18.804 5.044 -5.313 1.00 34.45 H new ATOM 0 HG13 ILE A 126 -18.312 3.694 -4.310 1.00 34.45 H new ATOM 0 HG21 ILE A 126 -19.876 6.774 -4.374 1.00 42.11 H new ATOM 0 HG22 ILE A 126 -20.305 6.738 -2.647 1.00 42.11 H new ATOM 0 HG23 ILE A 126 -18.632 6.406 -3.156 1.00 42.11 H new ATOM 0 HD11 ILE A 126 -19.322 2.904 -6.408 1.00 44.44 H new ATOM 0 HD12 ILE A 126 -20.320 2.419 -5.016 1.00 44.44 H new ATOM 0 HD13 ILE A 126 -20.819 3.790 -6.035 1.00 44.44 H new ATOM 2008 N ASN A 127 -21.739 4.039 -0.711 1.00 21.43 N ATOM 2009 CA ASN A 127 -22.595 4.542 0.361 1.00 4.14 C ATOM 2010 C ASN A 127 -21.934 4.501 1.751 1.00 24.13 C ATOM 2011 O ASN A 127 -22.284 5.345 2.578 1.00 51.42 O ATOM 2012 CB ASN A 127 -23.973 3.848 0.352 1.00 25.55 C ATOM 2013 CG ASN A 127 -24.264 3.001 1.588 1.00 44.00 C ATOM 2014 OD1 ASN A 127 -24.832 3.489 2.563 1.00 72.11 O ATOM 2015 ND2 ASN A 127 -23.978 1.710 1.546 1.00 11.04 N ATOM 0 H ASN A 127 -22.120 3.227 -1.197 1.00 21.43 H new ATOM 0 HA ASN A 127 -22.752 5.600 0.151 1.00 4.14 H new ATOM 0 HB2 ASN A 127 -24.748 4.609 0.258 1.00 25.55 H new ATOM 0 HB3 ASN A 127 -24.040 3.213 -0.532 1.00 25.55 H new ATOM 0 HD21 ASN A 127 -24.229 1.106 2.329 1.00 11.04 H new ATOM 0 HD22 ASN A 127 -23.506 1.318 0.731 1.00 11.04 H new ATOM 2022 N GLU A 128 -20.982 3.593 2.014 1.00 54.12 N ATOM 2023 CA GLU A 128 -20.290 3.465 3.307 1.00 24.34 C ATOM 2024 C GLU A 128 -18.854 4.012 3.244 1.00 11.13 C ATOM 2025 O GLU A 128 -18.146 4.004 4.254 1.00 52.01 O ATOM 2026 CB GLU A 128 -20.311 1.979 3.759 1.00 3.14 C ATOM 2027 CG GLU A 128 -21.659 1.562 4.371 1.00 33.41 C ATOM 2028 CD GLU A 128 -21.648 0.239 5.153 1.00 51.22 C ATOM 2029 OE1 GLU A 128 -21.092 -0.784 4.685 1.00 74.21 O ATOM 2030 OE2 GLU A 128 -22.279 0.191 6.234 1.00 23.51 O ATOM 0 H GLU A 128 -20.665 2.914 1.322 1.00 54.12 H new ATOM 0 HA GLU A 128 -20.819 4.069 4.045 1.00 24.34 H new ATOM 0 HB2 GLU A 128 -20.093 1.340 2.903 1.00 3.14 H new ATOM 0 HB3 GLU A 128 -19.519 1.815 4.490 1.00 3.14 H new ATOM 0 HG2 GLU A 128 -21.997 2.355 5.038 1.00 33.41 H new ATOM 0 HG3 GLU A 128 -22.394 1.484 3.570 1.00 33.41 H new ATOM 2037 N LEU A 129 -18.414 4.496 2.081 1.00 54.34 N ATOM 2038 CA LEU A 129 -17.015 4.779 1.800 1.00 54.01 C ATOM 2039 C LEU A 129 -16.511 6.002 2.533 1.00 30.33 C ATOM 2040 O LEU A 129 -15.367 6.022 2.981 1.00 62.51 O ATOM 2041 CB LEU A 129 -16.854 4.996 0.292 1.00 32.24 C ATOM 2042 CG LEU A 129 -15.433 5.387 -0.154 1.00 2.15 C ATOM 2043 CD1 LEU A 129 -14.318 4.426 0.284 1.00 45.11 C ATOM 2044 CD2 LEU A 129 -15.413 5.480 -1.678 1.00 11.14 C ATOM 0 H LEU A 129 -19.034 4.704 1.298 1.00 54.34 H new ATOM 0 HA LEU A 129 -16.426 3.929 2.145 1.00 54.01 H new ATOM 0 HB2 LEU A 129 -17.144 4.082 -0.226 1.00 32.24 H new ATOM 0 HB3 LEU A 129 -17.547 5.775 -0.025 1.00 32.24 H new ATOM 0 HG LEU A 129 -15.220 6.337 0.337 1.00 2.15 H new ATOM 0 HD11 LEU A 129 -13.358 4.792 -0.081 1.00 45.11 H new ATOM 0 HD12 LEU A 129 -14.295 4.368 1.372 1.00 45.11 H new ATOM 0 HD13 LEU A 129 -14.509 3.435 -0.128 1.00 45.11 H new ATOM 0 HD21 LEU A 129 -14.413 5.756 -2.013 1.00 11.14 H new ATOM 0 HD22 LEU A 129 -15.685 4.515 -2.105 1.00 11.14 H new ATOM 0 HD23 LEU A 129 -16.127 6.236 -2.006 1.00 11.14 H new ATOM 2056 N GLU A 130 -17.322 7.049 2.604 1.00 13.43 N ATOM 2057 CA GLU A 130 -16.874 8.306 3.187 1.00 2.32 C ATOM 2058 C GLU A 130 -16.500 8.110 4.650 1.00 70.12 C ATOM 2059 O GLU A 130 -15.554 8.754 5.104 1.00 22.21 O ATOM 2060 CB GLU A 130 -17.912 9.420 3.011 1.00 44.21 C ATOM 2061 CG GLU A 130 -18.051 9.731 1.520 1.00 50.44 C ATOM 2062 CD GLU A 130 -18.965 10.913 1.221 1.00 23.52 C ATOM 2063 OE1 GLU A 130 -18.495 12.068 1.237 1.00 51.24 O ATOM 2064 OE2 GLU A 130 -20.091 10.669 0.720 1.00 34.31 O ATOM 0 H GLU A 130 -18.285 7.054 2.268 1.00 13.43 H new ATOM 0 HA GLU A 130 -15.982 8.626 2.649 1.00 2.32 H new ATOM 0 HB2 GLU A 130 -18.872 9.110 3.423 1.00 44.21 H new ATOM 0 HB3 GLU A 130 -17.604 10.312 3.556 1.00 44.21 H new ATOM 0 HG2 GLU A 130 -17.063 9.934 1.107 1.00 50.44 H new ATOM 0 HG3 GLU A 130 -18.435 8.848 1.008 1.00 50.44 H new ATOM 2071 N GLU A 131 -17.165 7.186 5.348 1.00 5.03 N ATOM 2072 CA GLU A 131 -16.801 6.827 6.709 1.00 74.13 C ATOM 2073 C GLU A 131 -15.479 6.040 6.710 1.00 24.22 C ATOM 2074 O GLU A 131 -14.596 6.319 7.516 1.00 63.34 O ATOM 2075 CB GLU A 131 -17.957 6.018 7.324 1.00 12.21 C ATOM 2076 CG GLU A 131 -18.248 6.393 8.779 1.00 62.54 C ATOM 2077 CD GLU A 131 -18.925 7.753 8.935 1.00 12.33 C ATOM 2078 OE1 GLU A 131 -20.010 7.998 8.349 1.00 62.10 O ATOM 2079 OE2 GLU A 131 -18.406 8.590 9.700 1.00 32.44 O ATOM 0 H GLU A 131 -17.966 6.671 4.982 1.00 5.03 H new ATOM 0 HA GLU A 131 -16.640 7.719 7.314 1.00 74.13 H new ATOM 0 HB2 GLU A 131 -18.857 6.172 6.729 1.00 12.21 H new ATOM 0 HB3 GLU A 131 -17.718 4.956 7.270 1.00 12.21 H new ATOM 0 HG2 GLU A 131 -18.884 5.627 9.223 1.00 62.54 H new ATOM 0 HG3 GLU A 131 -17.313 6.395 9.339 1.00 62.54 H new ATOM 2086 N THR A 132 -15.284 5.097 5.783 1.00 52.41 N ATOM 2087 CA THR A 132 -14.095 4.247 5.734 1.00 21.44 C ATOM 2088 C THR A 132 -12.844 5.072 5.433 1.00 72.44 C ATOM 2089 O THR A 132 -11.787 4.841 6.021 1.00 42.31 O ATOM 2090 CB THR A 132 -14.314 3.147 4.685 1.00 10.15 C ATOM 2091 OG1 THR A 132 -15.517 2.463 4.978 1.00 42.40 O ATOM 2092 CG2 THR A 132 -13.158 2.148 4.628 1.00 45.43 C ATOM 0 H THR A 132 -15.955 4.902 5.040 1.00 52.41 H new ATOM 0 HA THR A 132 -13.937 3.782 6.707 1.00 21.44 H new ATOM 0 HB THR A 132 -14.369 3.629 3.709 1.00 10.15 H new ATOM 0 HG1 THR A 132 -16.279 2.992 4.662 1.00 42.40 H new ATOM 0 HG21 THR A 132 -13.366 1.393 3.870 1.00 45.43 H new ATOM 0 HG22 THR A 132 -12.236 2.672 4.375 1.00 45.43 H new ATOM 0 HG23 THR A 132 -13.046 1.666 5.599 1.00 45.43 H new ATOM 2100 N ILE A 133 -12.960 6.070 4.553 1.00 44.03 N ATOM 2101 CA ILE A 133 -11.854 6.962 4.239 1.00 53.01 C ATOM 2102 C ILE A 133 -11.437 7.738 5.498 1.00 41.01 C ATOM 2103 O ILE A 133 -10.285 8.163 5.571 1.00 23.53 O ATOM 2104 CB ILE A 133 -12.220 7.862 3.034 1.00 4.02 C ATOM 2105 CG1 ILE A 133 -12.377 6.999 1.768 1.00 72.11 C ATOM 2106 CG2 ILE A 133 -11.115 8.893 2.767 1.00 71.32 C ATOM 2107 CD1 ILE A 133 -12.870 7.762 0.532 1.00 2.13 C ATOM 0 H ILE A 133 -13.819 6.277 4.044 1.00 44.03 H new ATOM 0 HA ILE A 133 -10.979 6.391 3.929 1.00 53.01 H new ATOM 0 HB ILE A 133 -13.152 8.375 3.271 1.00 4.02 H new ATOM 0 HG12 ILE A 133 -11.416 6.540 1.536 1.00 72.11 H new ATOM 0 HG13 ILE A 133 -13.074 6.189 1.981 1.00 72.11 H new ATOM 0 HG21 ILE A 133 -11.395 9.514 1.916 1.00 71.32 H new ATOM 0 HG22 ILE A 133 -10.984 9.522 3.647 1.00 71.32 H new ATOM 0 HG23 ILE A 133 -10.181 8.376 2.548 1.00 71.32 H new ATOM 0 HD11 ILE A 133 -12.951 7.076 -0.311 1.00 2.13 H new ATOM 0 HD12 ILE A 133 -13.847 8.198 0.740 1.00 2.13 H new ATOM 0 HD13 ILE A 133 -12.163 8.555 0.288 1.00 2.13 H new ATOM 2119 N GLN A 134 -12.322 7.928 6.485 1.00 21.22 N ATOM 2120 CA GLN A 134 -11.942 8.471 7.786 1.00 45.04 C ATOM 2121 C GLN A 134 -11.346 7.399 8.702 1.00 21.42 C ATOM 2122 O GLN A 134 -10.356 7.670 9.378 1.00 74.14 O ATOM 2123 CB GLN A 134 -13.147 9.137 8.462 1.00 44.12 C ATOM 2124 CG GLN A 134 -13.800 10.213 7.586 1.00 74.40 C ATOM 2125 CD GLN A 134 -13.033 11.535 7.515 1.00 62.23 C ATOM 2126 OE1 GLN A 134 -12.426 12.006 8.478 1.00 73.52 O ATOM 2127 NE2 GLN A 134 -13.036 12.196 6.371 1.00 45.30 N ATOM 0 H GLN A 134 -13.315 7.710 6.401 1.00 21.22 H new ATOM 0 HA GLN A 134 -11.170 9.221 7.612 1.00 45.04 H new ATOM 0 HB2 GLN A 134 -13.887 8.375 8.707 1.00 44.12 H new ATOM 0 HB3 GLN A 134 -12.828 9.585 9.403 1.00 44.12 H new ATOM 0 HG2 GLN A 134 -13.913 9.820 6.576 1.00 74.40 H new ATOM 0 HG3 GLN A 134 -14.803 10.411 7.965 1.00 74.40 H new ATOM 0 HE21 GLN A 134 -13.534 11.818 5.565 1.00 45.30 H new ATOM 0 HE22 GLN A 134 -12.540 13.084 6.294 1.00 45.30 H new ATOM 2136 N ALA A 135 -11.900 6.186 8.717 1.00 41.43 N ATOM 2137 CA ALA A 135 -11.468 5.102 9.596 1.00 30.54 C ATOM 2138 C ALA A 135 -9.971 4.819 9.470 1.00 62.44 C ATOM 2139 O ALA A 135 -9.274 4.690 10.477 1.00 21.34 O ATOM 2140 CB ALA A 135 -12.262 3.839 9.270 1.00 74.33 C ATOM 0 H ALA A 135 -12.675 5.926 8.107 1.00 41.43 H new ATOM 0 HA ALA A 135 -11.655 5.412 10.624 1.00 30.54 H new ATOM 0 HB1 ALA A 135 -11.941 3.029 9.925 1.00 74.33 H new ATOM 0 HB2 ALA A 135 -13.325 4.028 9.421 1.00 74.33 H new ATOM 0 HB3 ALA A 135 -12.087 3.557 8.232 1.00 74.33 H new ATOM 2146 N VAL A 136 -9.460 4.780 8.238 1.00 10.34 N ATOM 2147 CA VAL A 136 -8.048 4.513 7.972 1.00 4.23 C ATOM 2148 C VAL A 136 -7.142 5.583 8.597 1.00 51.44 C ATOM 2149 O VAL A 136 -5.991 5.339 8.955 1.00 64.10 O ATOM 2150 CB VAL A 136 -7.867 4.352 6.452 1.00 31.21 C ATOM 2151 CG1 VAL A 136 -8.300 5.541 5.599 1.00 45.20 C ATOM 2152 CG2 VAL A 136 -6.439 3.988 6.057 1.00 44.44 C ATOM 0 H VAL A 136 -10.016 4.933 7.396 1.00 10.34 H new ATOM 0 HA VAL A 136 -7.738 3.584 8.450 1.00 4.23 H new ATOM 0 HB VAL A 136 -8.549 3.529 6.236 1.00 31.21 H new ATOM 0 HG11 VAL A 136 -8.127 5.316 4.547 1.00 45.20 H new ATOM 0 HG12 VAL A 136 -9.360 5.737 5.759 1.00 45.20 H new ATOM 0 HG13 VAL A 136 -7.722 6.421 5.881 1.00 45.20 H new ATOM 0 HG21 VAL A 136 -6.375 3.888 4.973 1.00 44.44 H new ATOM 0 HG22 VAL A 136 -5.758 4.772 6.390 1.00 44.44 H new ATOM 0 HG23 VAL A 136 -6.162 3.043 6.525 1.00 44.44 H new ATOM 2162 N GLN A 137 -7.662 6.796 8.747 1.00 12.31 N ATOM 2163 CA GLN A 137 -6.939 7.935 9.270 1.00 23.52 C ATOM 2164 C GLN A 137 -6.798 7.776 10.775 1.00 31.44 C ATOM 2165 O GLN A 137 -5.788 8.204 11.310 1.00 3.34 O ATOM 2166 CB GLN A 137 -7.703 9.232 8.958 1.00 10.44 C ATOM 2167 CG GLN A 137 -8.211 9.357 7.510 1.00 70.42 C ATOM 2168 CD GLN A 137 -7.203 9.937 6.529 1.00 53.02 C ATOM 2169 OE1 GLN A 137 -6.219 10.570 6.897 1.00 31.24 O ATOM 2170 NE2 GLN A 137 -7.422 9.763 5.239 1.00 53.43 N ATOM 0 H GLN A 137 -8.627 7.014 8.499 1.00 12.31 H new ATOM 0 HA GLN A 137 -5.954 7.987 8.806 1.00 23.52 H new ATOM 0 HB2 GLN A 137 -8.555 9.305 9.633 1.00 10.44 H new ATOM 0 HB3 GLN A 137 -7.052 10.080 9.173 1.00 10.44 H new ATOM 0 HG2 GLN A 137 -8.512 8.370 7.159 1.00 70.42 H new ATOM 0 HG3 GLN A 137 -9.103 9.983 7.505 1.00 70.42 H new ATOM 0 HE21 GLN A 137 -8.239 9.238 4.927 1.00 53.43 H new ATOM 0 HE22 GLN A 137 -6.775 10.154 4.555 1.00 53.43 H new ATOM 2179 N GLU A 138 -7.775 7.202 11.483 1.00 24.13 N ATOM 2180 CA GLU A 138 -7.667 6.954 12.920 1.00 32.54 C ATOM 2181 C GLU A 138 -6.528 5.976 13.169 1.00 11.02 C ATOM 2182 O GLU A 138 -5.574 6.286 13.879 1.00 64.13 O ATOM 2183 CB GLU A 138 -8.964 6.346 13.465 1.00 10.01 C ATOM 2184 CG GLU A 138 -10.084 7.368 13.636 1.00 54.22 C ATOM 2185 CD GLU A 138 -9.744 8.497 14.609 1.00 11.41 C ATOM 2186 OE1 GLU A 138 -9.861 8.306 15.838 1.00 70.31 O ATOM 2187 OE2 GLU A 138 -9.395 9.611 14.142 1.00 2.04 O ATOM 0 H GLU A 138 -8.659 6.898 11.076 1.00 24.13 H new ATOM 0 HA GLU A 138 -7.480 7.902 13.425 1.00 32.54 H new ATOM 0 HB2 GLU A 138 -9.300 5.559 12.790 1.00 10.01 H new ATOM 0 HB3 GLU A 138 -8.761 5.876 14.427 1.00 10.01 H new ATOM 0 HG2 GLU A 138 -10.322 7.798 12.663 1.00 54.22 H new ATOM 0 HG3 GLU A 138 -10.980 6.856 13.986 1.00 54.22 H new ATOM 2194 N GLU A 139 -6.586 4.834 12.489 1.00 52.11 N ATOM 2195 CA GLU A 139 -5.564 3.798 12.588 1.00 3.43 C ATOM 2196 C GLU A 139 -4.165 4.337 12.284 1.00 31.52 C ATOM 2197 O GLU A 139 -3.168 3.818 12.787 1.00 2.23 O ATOM 2198 CB GLU A 139 -5.869 2.630 11.641 1.00 44.21 C ATOM 2199 CG GLU A 139 -7.259 2.019 11.897 1.00 11.41 C ATOM 2200 CD GLU A 139 -7.343 0.496 11.768 1.00 51.31 C ATOM 2201 OE1 GLU A 139 -6.304 -0.181 11.648 1.00 12.23 O ATOM 2202 OE2 GLU A 139 -8.453 -0.063 11.957 1.00 5.43 O ATOM 0 H GLU A 139 -7.347 4.601 11.851 1.00 52.11 H new ATOM 0 HA GLU A 139 -5.582 3.446 13.620 1.00 3.43 H new ATOM 0 HB2 GLU A 139 -5.811 2.977 10.609 1.00 44.21 H new ATOM 0 HB3 GLU A 139 -5.108 1.859 11.761 1.00 44.21 H new ATOM 0 HG2 GLU A 139 -7.581 2.300 12.900 1.00 11.41 H new ATOM 0 HG3 GLU A 139 -7.967 2.465 11.198 1.00 11.41 H new ATOM 2209 N ASN A 140 -4.082 5.400 11.488 1.00 64.42 N ATOM 2210 CA ASN A 140 -2.828 6.005 11.090 1.00 5.21 C ATOM 2211 C ASN A 140 -2.240 6.831 12.229 1.00 70.22 C ATOM 2212 O ASN A 140 -1.022 6.948 12.307 1.00 30.44 O ATOM 2213 CB ASN A 140 -3.059 6.864 9.839 1.00 5.42 C ATOM 2214 CG ASN A 140 -2.929 6.083 8.542 1.00 11.43 C ATOM 2215 OD1 ASN A 140 -2.754 4.869 8.497 1.00 5.25 O ATOM 2216 ND2 ASN A 140 -3.000 6.790 7.435 1.00 65.41 N ATOM 0 H ASN A 140 -4.901 5.867 11.099 1.00 64.42 H new ATOM 0 HA ASN A 140 -2.106 5.223 10.853 1.00 5.21 H new ATOM 0 HB2 ASN A 140 -4.053 7.308 9.890 1.00 5.42 H new ATOM 0 HB3 ASN A 140 -2.343 7.686 9.834 1.00 5.42 H new ATOM 0 HD21 ASN A 140 -2.909 6.330 6.529 1.00 65.41 H new ATOM 0 HD22 ASN A 140 -3.146 7.798 7.482 1.00 65.41 H new ATOM 2223 N LYS A 141 -3.061 7.396 13.124 1.00 71.53 N ATOM 2224 CA LYS A 141 -2.603 8.300 14.197 1.00 64.24 C ATOM 2225 C LYS A 141 -1.722 7.565 15.174 1.00 62.12 C ATOM 2226 O LYS A 141 -0.790 8.139 15.734 1.00 41.40 O ATOM 2227 CB LYS A 141 -3.787 8.917 14.964 1.00 2.44 C ATOM 2228 CG LYS A 141 -4.889 9.465 14.058 1.00 53.01 C ATOM 2229 CD LYS A 141 -4.365 10.268 12.872 1.00 72.22 C ATOM 2230 CE LYS A 141 -3.905 11.656 13.295 1.00 65.40 C ATOM 2231 NZ LYS A 141 -3.303 12.422 12.183 1.00 65.24 N ATOM 0 H LYS A 141 -4.069 7.240 13.127 1.00 71.53 H new ATOM 0 HA LYS A 141 -2.038 9.099 13.718 1.00 64.24 H new ATOM 0 HB2 LYS A 141 -4.214 8.162 15.624 1.00 2.44 H new ATOM 0 HB3 LYS A 141 -3.417 9.722 15.599 1.00 2.44 H new ATOM 0 HG2 LYS A 141 -5.488 8.634 13.686 1.00 53.01 H new ATOM 0 HG3 LYS A 141 -5.552 10.097 14.649 1.00 53.01 H new ATOM 0 HD2 LYS A 141 -3.535 9.734 12.409 1.00 72.22 H new ATOM 0 HD3 LYS A 141 -5.147 10.357 12.118 1.00 72.22 H new ATOM 0 HE2 LYS A 141 -4.755 12.210 13.694 1.00 65.40 H new ATOM 0 HE3 LYS A 141 -3.178 11.563 14.102 1.00 65.40 H new ATOM 0 HZ1 LYS A 141 -2.756 13.219 12.567 1.00 65.24 H new ATOM 0 HZ2 LYS A 141 -2.673 11.802 11.635 1.00 65.24 H new ATOM 0 HZ3 LYS A 141 -4.056 12.784 11.564 1.00 65.24 H new ATOM 2245 N ALA A 142 -2.047 6.294 15.341 1.00 43.10 N ATOM 2246 CA ALA A 142 -1.268 5.380 16.160 1.00 74.10 C ATOM 2247 C ALA A 142 0.162 5.299 15.615 1.00 65.32 C ATOM 2248 O ALA A 142 1.120 5.531 16.352 1.00 51.33 O ATOM 2249 CB ALA A 142 -1.957 4.017 16.202 1.00 64.43 C ATOM 0 H ALA A 142 -2.865 5.864 14.909 1.00 43.10 H new ATOM 0 HA ALA A 142 -1.206 5.744 17.186 1.00 74.10 H new ATOM 0 HB1 ALA A 142 -1.372 3.332 16.816 1.00 64.43 H new ATOM 0 HB2 ALA A 142 -2.954 4.126 16.629 1.00 64.43 H new ATOM 0 HB3 ALA A 142 -2.037 3.619 15.191 1.00 64.43 H new ATOM 2255 N PHE A 143 0.289 5.029 14.312 1.00 34.31 N ATOM 2256 CA PHE A 143 1.559 4.942 13.612 1.00 4.04 C ATOM 2257 C PHE A 143 2.318 6.268 13.719 1.00 71.22 C ATOM 2258 O PHE A 143 3.448 6.286 14.197 1.00 12.34 O ATOM 2259 CB PHE A 143 1.308 4.514 12.158 1.00 42.12 C ATOM 2260 CG PHE A 143 2.548 4.361 11.299 1.00 5.31 C ATOM 2261 CD1 PHE A 143 3.139 5.492 10.704 1.00 30.43 C ATOM 2262 CD2 PHE A 143 3.094 3.089 11.057 1.00 52.11 C ATOM 2263 CE1 PHE A 143 4.248 5.351 9.850 1.00 13.11 C ATOM 2264 CE2 PHE A 143 4.208 2.957 10.213 1.00 65.52 C ATOM 2265 CZ PHE A 143 4.782 4.079 9.596 1.00 74.21 C ATOM 0 H PHE A 143 -0.514 4.862 13.706 1.00 34.31 H new ATOM 0 HA PHE A 143 2.193 4.185 14.074 1.00 4.04 H new ATOM 0 HB2 PHE A 143 0.772 3.565 12.164 1.00 42.12 H new ATOM 0 HB3 PHE A 143 0.651 5.247 11.690 1.00 42.12 H new ATOM 0 HD1 PHE A 143 2.738 6.475 10.905 1.00 30.43 H new ATOM 0 HD2 PHE A 143 2.658 2.216 11.519 1.00 52.11 H new ATOM 0 HE1 PHE A 143 4.689 6.223 9.390 1.00 13.11 H new ATOM 0 HE2 PHE A 143 4.629 1.978 10.036 1.00 65.52 H new ATOM 0 HZ PHE A 143 5.626 3.964 8.932 1.00 74.21 H new ATOM 2275 N GLU A 144 1.746 7.392 13.268 1.00 62.51 N ATOM 2276 CA GLU A 144 2.492 8.656 13.208 1.00 11.12 C ATOM 2277 C GLU A 144 2.834 9.214 14.598 1.00 74.43 C ATOM 2278 O GLU A 144 3.772 10.006 14.691 1.00 11.14 O ATOM 2279 CB GLU A 144 1.794 9.727 12.341 1.00 52.33 C ATOM 2280 CG GLU A 144 0.318 9.882 12.700 1.00 54.02 C ATOM 2281 CD GLU A 144 -0.313 11.238 12.380 1.00 72.42 C ATOM 2282 OE1 GLU A 144 -0.326 12.139 13.253 1.00 43.03 O ATOM 2283 OE2 GLU A 144 -0.900 11.390 11.284 1.00 65.10 O ATOM 0 H GLU A 144 0.781 7.453 12.943 1.00 62.51 H new ATOM 0 HA GLU A 144 3.433 8.406 12.718 1.00 11.12 H new ATOM 0 HB2 GLU A 144 2.301 10.684 12.469 1.00 52.33 H new ATOM 0 HB3 GLU A 144 1.885 9.457 11.289 1.00 52.33 H new ATOM 0 HG2 GLU A 144 -0.245 9.109 12.177 1.00 54.02 H new ATOM 0 HG3 GLU A 144 0.203 9.693 13.767 1.00 54.02 H new ATOM 2290 N GLU A 145 2.164 8.801 15.683 1.00 11.04 N ATOM 2291 CA GLU A 145 2.599 9.169 17.033 1.00 42.43 C ATOM 2292 C GLU A 145 3.985 8.556 17.305 1.00 71.50 C ATOM 2293 O GLU A 145 4.822 9.178 17.967 1.00 64.24 O ATOM 2294 CB GLU A 145 1.566 8.751 18.101 1.00 34.55 C ATOM 2295 CG GLU A 145 1.857 9.379 19.487 1.00 43.43 C ATOM 2296 CD GLU A 145 1.492 8.532 20.722 1.00 54.44 C ATOM 2297 OE1 GLU A 145 0.668 7.589 20.639 1.00 63.40 O ATOM 2298 OE2 GLU A 145 2.069 8.808 21.801 1.00 13.24 O ATOM 0 H GLU A 145 1.328 8.218 15.651 1.00 11.04 H new ATOM 0 HA GLU A 145 2.677 10.254 17.095 1.00 42.43 H new ATOM 0 HB2 GLU A 145 0.570 9.048 17.773 1.00 34.55 H new ATOM 0 HB3 GLU A 145 1.562 7.665 18.192 1.00 34.55 H new ATOM 0 HG2 GLU A 145 2.920 9.614 19.538 1.00 43.43 H new ATOM 0 HG3 GLU A 145 1.319 10.325 19.552 1.00 43.43 H new ATOM 2305 N LEU A 146 4.254 7.365 16.759 1.00 63.24 N ATOM 2306 CA LEU A 146 5.414 6.538 17.117 1.00 62.10 C ATOM 2307 C LEU A 146 6.438 6.351 15.997 1.00 44.40 C ATOM 2308 O LEU A 146 7.512 5.806 16.253 1.00 73.44 O ATOM 2309 CB LEU A 146 4.955 5.156 17.641 1.00 74.44 C ATOM 2310 CG LEU A 146 4.569 5.047 19.127 1.00 22.45 C ATOM 2311 CD1 LEU A 146 5.416 5.935 20.045 1.00 72.11 C ATOM 2312 CD2 LEU A 146 3.101 5.367 19.384 1.00 34.55 C ATOM 0 H LEU A 146 3.663 6.941 16.044 1.00 63.24 H new ATOM 0 HA LEU A 146 5.927 7.095 17.902 1.00 62.10 H new ATOM 0 HB2 LEU A 146 4.097 4.840 17.048 1.00 74.44 H new ATOM 0 HB3 LEU A 146 5.756 4.442 17.449 1.00 74.44 H new ATOM 0 HG LEU A 146 4.763 4.002 19.367 1.00 22.45 H new ATOM 0 HD11 LEU A 146 5.089 5.808 21.077 1.00 72.11 H new ATOM 0 HD12 LEU A 146 6.465 5.651 19.959 1.00 72.11 H new ATOM 0 HD13 LEU A 146 5.297 6.978 19.753 1.00 72.11 H new ATOM 0 HD21 LEU A 146 2.889 5.273 20.449 1.00 34.55 H new ATOM 0 HD22 LEU A 146 2.889 6.386 19.060 1.00 34.55 H new ATOM 0 HD23 LEU A 146 2.474 4.671 18.827 1.00 34.55 H new ATOM 2324 N HIS A 147 6.156 6.797 14.780 1.00 32.33 N ATOM 2325 CA HIS A 147 6.974 6.605 13.585 1.00 31.43 C ATOM 2326 C HIS A 147 7.255 8.006 13.012 1.00 25.13 C ATOM 2327 O HIS A 147 6.587 8.425 12.064 1.00 52.01 O ATOM 2328 CB HIS A 147 6.283 5.632 12.603 1.00 71.12 C ATOM 2329 CG HIS A 147 6.150 4.199 13.099 1.00 51.03 C ATOM 2330 ND1 HIS A 147 6.581 3.055 12.452 1.00 70.40 N ATOM 2331 CD2 HIS A 147 5.500 3.785 14.233 1.00 3.03 C ATOM 2332 CE1 HIS A 147 6.221 1.994 13.197 1.00 4.41 C ATOM 2333 NE2 HIS A 147 5.603 2.395 14.317 1.00 64.53 N ATOM 0 H HIS A 147 5.308 7.330 14.588 1.00 32.33 H new ATOM 0 HA HIS A 147 7.929 6.128 13.805 1.00 31.43 H new ATOM 0 HB2 HIS A 147 5.288 6.015 12.376 1.00 71.12 H new ATOM 0 HB3 HIS A 147 6.843 5.626 11.668 1.00 71.12 H new ATOM 0 HD1 HIS A 147 7.084 3.022 11.565 1.00 70.40 H new ATOM 0 HD2 HIS A 147 4.994 4.425 14.941 1.00 3.03 H new ATOM 0 HE1 HIS A 147 6.404 0.964 12.930 1.00 4.41 H new ATOM 2341 N PRO A 148 8.192 8.765 13.615 1.00 22.41 N ATOM 2342 CA PRO A 148 8.488 10.155 13.288 1.00 34.45 C ATOM 2343 C PRO A 148 9.248 10.292 11.971 1.00 61.24 C ATOM 2344 O PRO A 148 10.396 9.818 11.844 1.00 51.43 O ATOM 2345 CB PRO A 148 9.302 10.674 14.480 1.00 2.54 C ATOM 2346 CG PRO A 148 10.013 9.437 15.013 1.00 70.11 C ATOM 2347 CD PRO A 148 8.962 8.364 14.782 1.00 73.43 C ATOM 0 HA PRO A 148 7.577 10.734 13.135 1.00 34.45 H new ATOM 0 HB2 PRO A 148 10.013 11.441 14.173 1.00 2.54 H new ATOM 0 HB3 PRO A 148 8.658 11.121 15.238 1.00 2.54 H new ATOM 0 HG2 PRO A 148 10.937 9.230 14.473 1.00 70.11 H new ATOM 0 HG3 PRO A 148 10.275 9.536 16.067 1.00 70.11 H new ATOM 0 HD2 PRO A 148 9.431 7.394 14.619 1.00 73.43 H new ATOM 0 HD3 PRO A 148 8.316 8.263 15.654 1.00 73.43 H new