USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 840 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 64 SER OG : rot 28:sc= 1.09 USER MOD Set 1.2: A 67 THR OG1 : rot 180:sc= 0.956 USER MOD Set 2.1: A 62 THR OG1 : rot 70:sc= 0.721 USER MOD Set 2.2: A 63 HIS : no HD1:sc= 0.538 K(o=1.3,f=-0.25) USER MOD Set 3.1: A 52 TYR OH : rot 110:sc= 0.471 USER MOD Set 3.2: A 72 ASN : amide:sc= 1.62 K(o=2.1,f=-3.5!) USER MOD Set 4.1: A 23 SER OG : rot 180:sc= 0.0186 USER MOD Set 4.2: A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00713 USER MOD Single : A 7 TYR OH : rot 175:sc= -0.153 USER MOD Single : A 9 TYR OH : rot -136:sc= 0.838 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot 180:sc= -2.55! USER MOD Single : A 15 ASN : amide:sc= 1.18 K(o=1.2,f=-0.016) USER MOD Single : A 16 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0839) USER MOD Single : A 19 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.19) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -169:sc= 2.37 (180deg=2.19) USER MOD Single : A 27 HIS : no HD1:sc= -1.27 K(o=-1.3,f=0.37) USER MOD Single : A 28 TYR OH : rot 77:sc= -0.527 USER MOD Single : A 30 SER OG : rot 86:sc= 1.2 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.769 K(o=-0.77,f=0.11) USER MOD Single : A 36 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00227) USER MOD Single : A 38 HIS : no HD1:sc= 0.381 K(o=0.38,f=-6!) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -157:sc= 1.15 (180deg=0.855) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= -0.0633 (180deg=-0.353) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0204 USER MOD Single : A 53 GLN : amide:sc=-0.00294 X(o=-0.0029,f=-0.37) USER MOD Single : A 54 LYS NZ :NH3+ -167:sc= -0.0255 (180deg=-0.217) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.519 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -139:sc= 1.27 (180deg=-0.021!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -2.15! C(o=-2.1!,f=-1.5!) USER MOD Single : A 84 HIS : no HD1:sc= -0.493 K(o=-0.49,f=-1.2) USER MOD Single : A 87 TYR OH : rot -34:sc= 1.31 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.659 K(o=-0.66,f=-2.2) USER MOD Single : A 93 THR OG1 : rot 53:sc= 0.0919 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 3.726 7.502 12.319 1.00 75.44 N ATOM 21 CA ILE A 2 4.189 6.134 12.130 1.00 20.52 C ATOM 22 C ILE A 2 4.761 5.941 10.720 1.00 44.24 C ATOM 23 O ILE A 2 4.549 6.779 9.837 1.00 52.13 O ATOM 24 CB ILE A 2 3.019 5.147 12.366 1.00 32.44 C ATOM 25 CG1 ILE A 2 3.512 3.700 12.475 1.00 72.11 C ATOM 26 CG2 ILE A 2 1.987 5.275 11.252 1.00 42.35 C ATOM 27 CD1 ILE A 2 2.409 2.709 12.791 1.00 21.44 C ATOM 0 HA ILE A 2 4.982 5.935 12.851 1.00 20.52 H new ATOM 0 HB ILE A 2 2.551 5.408 13.316 1.00 32.44 H new ATOM 0 HG12 ILE A 2 3.988 3.415 11.537 1.00 72.11 H new ATOM 0 HG13 ILE A 2 4.275 3.642 13.251 1.00 72.11 H new ATOM 0 HG21 ILE A 2 1.170 4.576 11.431 1.00 42.35 H new ATOM 0 HG22 ILE A 2 1.596 6.292 11.233 1.00 42.35 H new ATOM 0 HG23 ILE A 2 2.456 5.049 10.294 1.00 42.35 H new ATOM 0 HD11 ILE A 2 2.829 1.705 12.854 1.00 21.44 H new ATOM 0 HD12 ILE A 2 1.948 2.969 13.744 1.00 21.44 H new ATOM 0 HD13 ILE A 2 1.656 2.739 12.003 1.00 21.44 H new ATOM 39 N THR A 3 5.495 4.853 10.515 1.00 73.42 N ATOM 40 CA THR A 3 6.005 4.514 9.197 1.00 31.34 C ATOM 41 C THR A 3 4.886 3.932 8.336 1.00 24.44 C ATOM 42 O THR A 3 3.964 3.301 8.854 1.00 31.23 O ATOM 43 CB THR A 3 7.172 3.511 9.287 1.00 1.52 C ATOM 44 OG1 THR A 3 6.810 2.410 10.130 1.00 71.44 O ATOM 45 CG2 THR A 3 8.424 4.184 9.830 1.00 51.52 C ATOM 0 H THR A 3 5.749 4.191 11.248 1.00 73.42 H new ATOM 0 HA THR A 3 6.379 5.429 8.737 1.00 31.34 H new ATOM 0 HB THR A 3 7.384 3.143 8.283 1.00 1.52 H new ATOM 0 HG1 THR A 3 7.557 1.777 10.180 1.00 71.44 H new ATOM 0 HG21 THR A 3 9.234 3.456 9.884 1.00 51.52 H new ATOM 0 HG22 THR A 3 8.714 5.001 9.169 1.00 51.52 H new ATOM 0 HG23 THR A 3 8.222 4.578 10.826 1.00 51.52 H new ATOM 53 N PHE A 4 4.968 4.144 7.030 1.00 74.54 N ATOM 54 CA PHE A 4 3.908 3.723 6.121 1.00 25.22 C ATOM 55 C PHE A 4 3.799 2.202 6.065 1.00 33.33 C ATOM 56 O PHE A 4 2.697 1.656 6.019 1.00 41.21 O ATOM 57 CB PHE A 4 4.151 4.290 4.720 1.00 34.12 C ATOM 58 CG PHE A 4 3.076 3.932 3.729 1.00 53.11 C ATOM 59 CD1 PHE A 4 1.738 4.123 4.039 1.00 64.53 C ATOM 60 CD2 PHE A 4 3.403 3.404 2.490 1.00 61.14 C ATOM 61 CE1 PHE A 4 0.749 3.788 3.134 1.00 11.44 C ATOM 62 CE2 PHE A 4 2.416 3.070 1.581 1.00 54.24 C ATOM 63 CZ PHE A 4 1.089 3.262 1.905 1.00 65.24 C ATOM 0 H PHE A 4 5.756 4.605 6.575 1.00 74.54 H new ATOM 0 HA PHE A 4 2.965 4.114 6.502 1.00 25.22 H new ATOM 0 HB2 PHE A 4 4.227 5.375 4.785 1.00 34.12 H new ATOM 0 HB3 PHE A 4 5.110 3.925 4.351 1.00 34.12 H new ATOM 0 HD1 PHE A 4 1.466 4.538 4.998 1.00 64.53 H new ATOM 0 HD2 PHE A 4 4.440 3.252 2.232 1.00 61.14 H new ATOM 0 HE1 PHE A 4 -0.290 3.938 3.389 1.00 11.44 H new ATOM 0 HE2 PHE A 4 2.684 2.659 0.619 1.00 54.24 H new ATOM 0 HZ PHE A 4 0.317 3.001 1.197 1.00 65.24 H new ATOM 73 N ALA A 5 4.942 1.526 6.086 1.00 63.35 N ATOM 74 CA ALA A 5 4.971 0.070 6.020 1.00 54.33 C ATOM 75 C ALA A 5 4.259 -0.548 7.221 1.00 4.11 C ATOM 76 O ALA A 5 3.402 -1.420 7.068 1.00 34.33 O ATOM 77 CB ALA A 5 6.407 -0.428 5.941 1.00 63.52 C ATOM 0 H ALA A 5 5.861 1.963 6.148 1.00 63.35 H new ATOM 0 HA ALA A 5 4.442 -0.239 5.118 1.00 54.33 H new ATOM 0 HB1 ALA A 5 6.412 -1.517 5.892 1.00 63.52 H new ATOM 0 HB2 ALA A 5 6.884 -0.023 5.049 1.00 63.52 H new ATOM 0 HB3 ALA A 5 6.954 -0.102 6.825 1.00 63.52 H new ATOM 83 N ASP A 6 4.602 -0.073 8.411 1.00 5.11 N ATOM 84 CA ASP A 6 4.033 -0.608 9.642 1.00 31.34 C ATOM 85 C ASP A 6 2.555 -0.247 9.752 1.00 42.52 C ATOM 86 O ASP A 6 1.730 -1.072 10.152 1.00 4.13 O ATOM 87 CB ASP A 6 4.809 -0.087 10.853 1.00 55.13 C ATOM 88 CG ASP A 6 4.371 -0.734 12.151 1.00 4.25 C ATOM 89 OD1 ASP A 6 4.417 -1.980 12.245 1.00 51.05 O ATOM 90 OD2 ASP A 6 3.995 -0.001 13.085 1.00 33.25 O ATOM 0 H ASP A 6 5.272 0.683 8.551 1.00 5.11 H new ATOM 0 HA ASP A 6 4.115 -1.695 9.620 1.00 31.34 H new ATOM 0 HB2 ASP A 6 5.873 -0.268 10.703 1.00 55.13 H new ATOM 0 HB3 ASP A 6 4.677 0.992 10.927 1.00 55.13 H new ATOM 95 N TYR A 7 2.225 0.984 9.364 1.00 11.43 N ATOM 96 CA TYR A 7 0.840 1.449 9.348 1.00 24.21 C ATOM 97 C TYR A 7 -0.004 0.582 8.420 1.00 10.05 C ATOM 98 O TYR A 7 -1.100 0.155 8.782 1.00 73.20 O ATOM 99 CB TYR A 7 0.773 2.918 8.900 1.00 22.12 C ATOM 100 CG TYR A 7 -0.633 3.484 8.815 1.00 43.14 C ATOM 101 CD1 TYR A 7 -1.261 4.027 9.933 1.00 34.41 C ATOM 102 CD2 TYR A 7 -1.330 3.480 7.612 1.00 13.43 C ATOM 103 CE1 TYR A 7 -2.539 4.543 9.852 1.00 34.14 C ATOM 104 CE2 TYR A 7 -2.609 3.996 7.525 1.00 30.12 C ATOM 105 CZ TYR A 7 -3.208 4.527 8.647 1.00 33.53 C ATOM 106 OH TYR A 7 -4.481 5.039 8.565 1.00 14.43 O ATOM 0 H TYR A 7 2.903 1.681 9.055 1.00 11.43 H new ATOM 0 HA TYR A 7 0.441 1.371 10.359 1.00 24.21 H new ATOM 0 HB2 TYR A 7 1.354 3.524 9.595 1.00 22.12 H new ATOM 0 HB3 TYR A 7 1.248 3.009 7.923 1.00 22.12 H new ATOM 0 HD1 TYR A 7 -0.740 4.045 10.879 1.00 34.41 H new ATOM 0 HD2 TYR A 7 -0.864 3.066 6.730 1.00 13.43 H new ATOM 0 HE1 TYR A 7 -3.013 4.958 10.730 1.00 34.14 H new ATOM 0 HE2 TYR A 7 -3.136 3.983 6.583 1.00 30.12 H new ATOM 0 HH TYR A 7 -4.780 5.025 7.632 1.00 14.43 H new ATOM 116 N PHE A 8 0.521 0.320 7.226 1.00 14.55 N ATOM 117 CA PHE A 8 -0.185 -0.477 6.231 1.00 41.30 C ATOM 118 C PHE A 8 -0.465 -1.881 6.755 1.00 2.33 C ATOM 119 O PHE A 8 -1.572 -2.403 6.605 1.00 33.22 O ATOM 120 CB PHE A 8 0.631 -0.556 4.934 1.00 74.01 C ATOM 121 CG PHE A 8 -0.046 -1.334 3.840 1.00 64.23 C ATOM 122 CD1 PHE A 8 -0.997 -0.730 3.031 1.00 14.23 C ATOM 123 CD2 PHE A 8 0.267 -2.667 3.618 1.00 41.14 C ATOM 124 CE1 PHE A 8 -1.621 -1.441 2.024 1.00 41.41 C ATOM 125 CE2 PHE A 8 -0.354 -3.382 2.613 1.00 10.24 C ATOM 126 CZ PHE A 8 -1.301 -2.768 1.815 1.00 40.32 C ATOM 0 H PHE A 8 1.438 0.651 6.925 1.00 14.55 H new ATOM 0 HA PHE A 8 -1.138 0.010 6.024 1.00 41.30 H new ATOM 0 HB2 PHE A 8 0.831 0.455 4.579 1.00 74.01 H new ATOM 0 HB3 PHE A 8 1.596 -1.014 5.150 1.00 74.01 H new ATOM 0 HD1 PHE A 8 -1.252 0.307 3.190 1.00 14.23 H new ATOM 0 HD2 PHE A 8 1.006 -3.152 4.239 1.00 41.14 H new ATOM 0 HE1 PHE A 8 -2.359 -0.959 1.400 1.00 41.41 H new ATOM 0 HE2 PHE A 8 -0.100 -4.419 2.451 1.00 10.24 H new ATOM 0 HZ PHE A 8 -1.790 -3.325 1.029 1.00 40.32 H new ATOM 136 N TYR A 9 0.538 -2.488 7.380 1.00 71.15 N ATOM 137 CA TYR A 9 0.392 -3.839 7.896 1.00 22.11 C ATOM 138 C TYR A 9 -0.627 -3.884 9.029 1.00 54.24 C ATOM 139 O TYR A 9 -1.483 -4.768 9.062 1.00 23.42 O ATOM 140 CB TYR A 9 1.735 -4.396 8.373 1.00 30.33 C ATOM 141 CG TYR A 9 1.637 -5.824 8.851 1.00 41.24 C ATOM 142 CD1 TYR A 9 1.531 -6.867 7.943 1.00 42.43 C ATOM 143 CD2 TYR A 9 1.624 -6.125 10.206 1.00 51.33 C ATOM 144 CE1 TYR A 9 1.414 -8.175 8.371 1.00 10.05 C ATOM 145 CE2 TYR A 9 1.515 -7.429 10.644 1.00 64.21 C ATOM 146 CZ TYR A 9 1.405 -8.450 9.725 1.00 20.32 C ATOM 147 OH TYR A 9 1.279 -9.745 10.165 1.00 34.32 O ATOM 0 H TYR A 9 1.454 -2.068 7.540 1.00 71.15 H new ATOM 0 HA TYR A 9 0.031 -4.464 7.079 1.00 22.11 H new ATOM 0 HB2 TYR A 9 2.457 -4.339 7.559 1.00 30.33 H new ATOM 0 HB3 TYR A 9 2.116 -3.772 9.181 1.00 30.33 H new ATOM 0 HD1 TYR A 9 1.540 -6.653 6.884 1.00 42.43 H new ATOM 0 HD2 TYR A 9 1.700 -5.326 10.929 1.00 51.33 H new ATOM 0 HE1 TYR A 9 1.330 -8.977 7.653 1.00 10.05 H new ATOM 0 HE2 TYR A 9 1.516 -7.648 11.702 1.00 64.21 H new ATOM 0 HH TYR A 9 0.645 -9.777 10.911 1.00 34.32 H new ATOM 157 N GLN A 10 -0.530 -2.929 9.950 1.00 30.34 N ATOM 158 CA GLN A 10 -1.477 -2.833 11.058 1.00 34.51 C ATOM 159 C GLN A 10 -2.896 -2.688 10.521 1.00 35.04 C ATOM 160 O GLN A 10 -3.817 -3.374 10.961 1.00 0.03 O ATOM 161 CB GLN A 10 -1.128 -1.638 11.948 1.00 54.02 C ATOM 162 CG GLN A 10 -2.046 -1.475 13.148 1.00 73.41 C ATOM 163 CD GLN A 10 -1.745 -0.221 13.943 1.00 25.43 C ATOM 164 OE1 GLN A 10 -2.299 0.845 13.678 1.00 70.21 O ATOM 165 NE2 GLN A 10 -0.865 -0.334 14.925 1.00 63.24 N ATOM 0 H GLN A 10 0.194 -2.211 9.951 1.00 30.34 H new ATOM 0 HA GLN A 10 -1.416 -3.744 11.653 1.00 34.51 H new ATOM 0 HB2 GLN A 10 -0.102 -1.747 12.300 1.00 54.02 H new ATOM 0 HB3 GLN A 10 -1.165 -0.728 11.349 1.00 54.02 H new ATOM 0 HG2 GLN A 10 -3.081 -1.446 12.808 1.00 73.41 H new ATOM 0 HG3 GLN A 10 -1.948 -2.345 13.797 1.00 73.41 H new ATOM 0 HE21 GLN A 10 -0.426 -1.235 15.115 1.00 63.24 H new ATOM 0 HE22 GLN A 10 -0.626 0.480 15.492 1.00 63.24 H new ATOM 174 N TRP A 11 -3.043 -1.801 9.545 1.00 54.01 N ATOM 175 CA TRP A 11 -4.321 -1.549 8.890 1.00 71.34 C ATOM 176 C TRP A 11 -4.908 -2.848 8.332 1.00 73.02 C ATOM 177 O TRP A 11 -6.080 -3.159 8.546 1.00 4.32 O ATOM 178 CB TRP A 11 -4.101 -0.529 7.770 1.00 23.25 C ATOM 179 CG TRP A 11 -5.334 -0.151 7.014 1.00 21.40 C ATOM 180 CD1 TRP A 11 -6.303 0.720 7.413 1.00 12.22 C ATOM 181 CD2 TRP A 11 -5.714 -0.609 5.713 1.00 20.20 C ATOM 182 NE1 TRP A 11 -7.269 0.825 6.444 1.00 63.31 N ATOM 183 CE2 TRP A 11 -6.932 0.016 5.390 1.00 13.21 C ATOM 184 CE3 TRP A 11 -5.147 -1.494 4.791 1.00 65.50 C ATOM 185 CZ2 TRP A 11 -7.587 -0.209 4.185 1.00 64.42 C ATOM 186 CZ3 TRP A 11 -5.800 -1.717 3.595 1.00 51.24 C ATOM 187 CH2 TRP A 11 -7.009 -1.079 3.301 1.00 1.20 C ATOM 0 H TRP A 11 -2.276 -1.234 9.184 1.00 54.01 H new ATOM 0 HA TRP A 11 -5.033 -1.152 9.613 1.00 71.34 H new ATOM 0 HB2 TRP A 11 -3.665 0.373 8.200 1.00 23.25 H new ATOM 0 HB3 TRP A 11 -3.371 -0.933 7.068 1.00 23.25 H new ATOM 0 HD1 TRP A 11 -6.310 1.250 8.354 1.00 12.22 H new ATOM 0 HE1 TRP A 11 -8.103 1.410 6.499 1.00 63.31 H new ATOM 0 HE3 TRP A 11 -4.215 -1.994 5.010 1.00 65.50 H new ATOM 0 HZ2 TRP A 11 -8.519 0.285 3.955 1.00 64.42 H new ATOM 0 HZ3 TRP A 11 -5.369 -2.396 2.874 1.00 51.24 H new ATOM 0 HH2 TRP A 11 -7.496 -1.277 2.358 1.00 1.20 H new ATOM 198 N TYR A 12 -4.077 -3.605 7.634 1.00 25.32 N ATOM 199 CA TYR A 12 -4.487 -4.875 7.044 1.00 63.23 C ATOM 200 C TYR A 12 -4.844 -5.911 8.111 1.00 64.35 C ATOM 201 O TYR A 12 -5.921 -6.512 8.069 1.00 33.25 O ATOM 202 CB TYR A 12 -3.369 -5.394 6.130 1.00 44.54 C ATOM 203 CG TYR A 12 -3.383 -6.890 5.877 1.00 34.33 C ATOM 204 CD1 TYR A 12 -4.479 -7.526 5.300 1.00 4.23 C ATOM 205 CD2 TYR A 12 -2.273 -7.662 6.199 1.00 14.52 C ATOM 206 CE1 TYR A 12 -4.464 -8.889 5.052 1.00 44.01 C ATOM 207 CE2 TYR A 12 -2.254 -9.020 5.957 1.00 23.12 C ATOM 208 CZ TYR A 12 -3.347 -9.627 5.386 1.00 3.11 C ATOM 209 OH TYR A 12 -3.316 -10.976 5.133 1.00 44.51 O ATOM 0 H TYR A 12 -3.102 -3.360 7.459 1.00 25.32 H new ATOM 0 HA TYR A 12 -5.389 -4.706 6.456 1.00 63.23 H new ATOM 0 HB2 TYR A 12 -3.437 -4.879 5.172 1.00 44.54 H new ATOM 0 HB3 TYR A 12 -2.408 -5.125 6.569 1.00 44.54 H new ATOM 0 HD1 TYR A 12 -5.354 -6.948 5.042 1.00 4.23 H new ATOM 0 HD2 TYR A 12 -1.410 -7.191 6.646 1.00 14.52 H new ATOM 0 HE1 TYR A 12 -5.319 -9.370 4.601 1.00 44.01 H new ATOM 0 HE2 TYR A 12 -1.383 -9.604 6.215 1.00 23.12 H new ATOM 0 HH TYR A 12 -2.457 -11.344 5.428 1.00 44.51 H new ATOM 219 N GLU A 13 -3.955 -6.092 9.078 1.00 1.24 N ATOM 220 CA GLU A 13 -4.079 -7.167 10.056 1.00 24.33 C ATOM 221 C GLU A 13 -5.315 -7.004 10.947 1.00 21.51 C ATOM 222 O GLU A 13 -5.835 -7.980 11.482 1.00 43.11 O ATOM 223 CB GLU A 13 -2.811 -7.230 10.909 1.00 3.54 C ATOM 224 CG GLU A 13 -2.765 -8.417 11.856 1.00 73.15 C ATOM 225 CD GLU A 13 -1.466 -8.495 12.626 1.00 50.01 C ATOM 226 OE1 GLU A 13 -1.302 -7.729 13.602 1.00 24.13 O ATOM 227 OE2 GLU A 13 -0.602 -9.319 12.257 1.00 71.51 O ATOM 0 H GLU A 13 -3.132 -5.503 9.207 1.00 1.24 H new ATOM 0 HA GLU A 13 -4.204 -8.102 9.510 1.00 24.33 H new ATOM 0 HB2 GLU A 13 -1.943 -7.269 10.250 1.00 3.54 H new ATOM 0 HB3 GLU A 13 -2.729 -6.311 11.490 1.00 3.54 H new ATOM 0 HG2 GLU A 13 -3.596 -8.350 12.558 1.00 73.15 H new ATOM 0 HG3 GLU A 13 -2.902 -9.337 11.287 1.00 73.15 H new ATOM 234 N VAL A 14 -5.789 -5.779 11.098 1.00 53.41 N ATOM 235 CA VAL A 14 -6.937 -5.517 11.958 1.00 64.51 C ATOM 236 C VAL A 14 -8.248 -5.502 11.168 1.00 14.42 C ATOM 237 O VAL A 14 -9.317 -5.755 11.720 1.00 52.24 O ATOM 238 CB VAL A 14 -6.773 -4.177 12.715 1.00 2.44 C ATOM 239 CG1 VAL A 14 -7.948 -3.918 13.653 1.00 31.32 C ATOM 240 CG2 VAL A 14 -5.467 -4.170 13.492 1.00 54.10 C ATOM 0 H VAL A 14 -5.402 -4.953 10.641 1.00 53.41 H new ATOM 0 HA VAL A 14 -6.980 -6.332 12.680 1.00 64.51 H new ATOM 0 HB VAL A 14 -6.754 -3.376 11.977 1.00 2.44 H new ATOM 0 HG11 VAL A 14 -7.800 -2.969 14.168 1.00 31.32 H new ATOM 0 HG12 VAL A 14 -8.872 -3.877 13.076 1.00 31.32 H new ATOM 0 HG13 VAL A 14 -8.013 -4.722 14.386 1.00 31.32 H new ATOM 0 HG21 VAL A 14 -5.363 -3.222 14.020 1.00 54.10 H new ATOM 0 HG22 VAL A 14 -5.467 -4.989 14.212 1.00 54.10 H new ATOM 0 HG23 VAL A 14 -4.632 -4.294 12.802 1.00 54.10 H new ATOM 250 N ASN A 15 -8.167 -5.248 9.869 1.00 11.22 N ATOM 251 CA ASN A 15 -9.379 -4.979 9.094 1.00 40.44 C ATOM 252 C ASN A 15 -9.713 -6.077 8.087 1.00 22.41 C ATOM 253 O ASN A 15 -10.884 -6.301 7.787 1.00 14.35 O ATOM 254 CB ASN A 15 -9.271 -3.636 8.366 1.00 30.11 C ATOM 255 CG ASN A 15 -9.377 -2.446 9.305 1.00 32.54 C ATOM 256 OD1 ASN A 15 -10.470 -1.963 9.592 1.00 3.21 O ATOM 257 ND2 ASN A 15 -8.241 -1.953 9.771 1.00 41.23 N ATOM 0 H ASN A 15 -7.298 -5.222 9.336 1.00 11.22 H new ATOM 0 HA ASN A 15 -10.193 -4.948 9.819 1.00 40.44 H new ATOM 0 HB2 ASN A 15 -8.320 -3.591 7.836 1.00 30.11 H new ATOM 0 HB3 ASN A 15 -10.058 -3.571 7.615 1.00 30.11 H new ATOM 0 HD21 ASN A 15 -8.253 -1.144 10.392 1.00 41.23 H new ATOM 0 HD22 ASN A 15 -7.353 -2.382 9.510 1.00 41.23 H new ATOM 264 N LYS A 16 -8.705 -6.749 7.547 1.00 51.45 N ATOM 265 CA LYS A 16 -8.951 -7.738 6.497 1.00 72.24 C ATOM 266 C LYS A 16 -8.632 -9.158 6.953 1.00 61.35 C ATOM 267 O LYS A 16 -9.073 -10.122 6.327 1.00 41.22 O ATOM 268 CB LYS A 16 -8.133 -7.420 5.241 1.00 44.34 C ATOM 269 CG LYS A 16 -8.737 -6.349 4.345 1.00 52.52 C ATOM 270 CD LYS A 16 -8.674 -4.963 4.970 1.00 40.51 C ATOM 271 CE LYS A 16 -9.247 -3.901 4.041 1.00 34.42 C ATOM 272 NZ LYS A 16 -10.698 -4.096 3.780 1.00 33.34 N ATOM 0 H LYS A 16 -7.726 -6.634 7.810 1.00 51.45 H new ATOM 0 HA LYS A 16 -10.015 -7.682 6.267 1.00 72.24 H new ATOM 0 HB2 LYS A 16 -7.136 -7.101 5.544 1.00 44.34 H new ATOM 0 HB3 LYS A 16 -8.013 -8.335 4.661 1.00 44.34 H new ATOM 0 HG2 LYS A 16 -8.210 -6.338 3.391 1.00 52.52 H new ATOM 0 HG3 LYS A 16 -9.776 -6.601 4.132 1.00 52.52 H new ATOM 0 HD2 LYS A 16 -9.227 -4.962 5.909 1.00 40.51 H new ATOM 0 HD3 LYS A 16 -7.639 -4.718 5.209 1.00 40.51 H new ATOM 0 HE2 LYS A 16 -9.089 -2.916 4.480 1.00 34.42 H new ATOM 0 HE3 LYS A 16 -8.705 -3.919 3.095 1.00 34.42 H new ATOM 0 HZ1 LYS A 16 -11.073 -3.270 3.271 1.00 33.34 H new ATOM 0 HZ2 LYS A 16 -10.835 -4.950 3.203 1.00 33.34 H new ATOM 0 HZ3 LYS A 16 -11.202 -4.204 4.683 1.00 33.34 H new ATOM 286 N LEU A 17 -7.881 -9.278 8.042 1.00 24.13 N ATOM 287 CA LEU A 17 -7.353 -10.568 8.492 1.00 42.33 C ATOM 288 C LEU A 17 -8.431 -11.663 8.580 1.00 75.51 C ATOM 289 O LEU A 17 -8.319 -12.683 7.902 1.00 32.32 O ATOM 290 CB LEU A 17 -6.650 -10.410 9.841 1.00 13.43 C ATOM 291 CG LEU A 17 -5.832 -11.619 10.291 1.00 15.55 C ATOM 292 CD1 LEU A 17 -4.644 -11.827 9.365 1.00 40.11 C ATOM 293 CD2 LEU A 17 -5.373 -11.440 11.728 1.00 34.44 C ATOM 0 H LEU A 17 -7.620 -8.492 8.637 1.00 24.13 H new ATOM 0 HA LEU A 17 -6.636 -10.893 7.738 1.00 42.33 H new ATOM 0 HB2 LEU A 17 -5.991 -9.543 9.790 1.00 13.43 H new ATOM 0 HB3 LEU A 17 -7.401 -10.195 10.602 1.00 13.43 H new ATOM 0 HG LEU A 17 -6.462 -12.507 10.242 1.00 15.55 H new ATOM 0 HD11 LEU A 17 -4.070 -12.692 9.698 1.00 40.11 H new ATOM 0 HD12 LEU A 17 -5.000 -11.997 8.349 1.00 40.11 H new ATOM 0 HD13 LEU A 17 -4.009 -10.941 9.383 1.00 40.11 H new ATOM 0 HD21 LEU A 17 -4.791 -12.309 12.035 1.00 34.44 H new ATOM 0 HD22 LEU A 17 -4.756 -10.545 11.804 1.00 34.44 H new ATOM 0 HD23 LEU A 17 -6.242 -11.337 12.378 1.00 34.44 H new ATOM 305 N PRO A 18 -9.497 -11.479 9.388 1.00 11.11 N ATOM 306 CA PRO A 18 -10.501 -12.522 9.602 1.00 24.11 C ATOM 307 C PRO A 18 -11.607 -12.525 8.546 1.00 13.33 C ATOM 308 O PRO A 18 -12.655 -13.144 8.739 1.00 31.21 O ATOM 309 CB PRO A 18 -11.075 -12.153 10.967 1.00 30.21 C ATOM 310 CG PRO A 18 -10.983 -10.666 11.030 1.00 13.24 C ATOM 311 CD PRO A 18 -9.818 -10.259 10.162 1.00 0.11 C ATOM 0 HA PRO A 18 -10.068 -13.520 9.542 1.00 24.11 H new ATOM 0 HB2 PRO A 18 -12.107 -12.490 11.066 1.00 30.21 H new ATOM 0 HB3 PRO A 18 -10.509 -12.619 11.773 1.00 30.21 H new ATOM 0 HG2 PRO A 18 -11.906 -10.207 10.676 1.00 13.24 H new ATOM 0 HG3 PRO A 18 -10.834 -10.332 12.057 1.00 13.24 H new ATOM 0 HD2 PRO A 18 -10.081 -9.429 9.506 1.00 0.11 H new ATOM 0 HD3 PRO A 18 -8.969 -9.934 10.763 1.00 0.11 H new ATOM 319 N HIS A 19 -11.375 -11.848 7.430 1.00 21.32 N ATOM 320 CA HIS A 19 -12.412 -11.703 6.416 1.00 72.21 C ATOM 321 C HIS A 19 -11.952 -12.221 5.057 1.00 73.42 C ATOM 322 O HIS A 19 -12.643 -13.017 4.420 1.00 72.44 O ATOM 323 CB HIS A 19 -12.840 -10.236 6.285 1.00 51.44 C ATOM 324 CG HIS A 19 -13.349 -9.632 7.558 1.00 22.31 C ATOM 325 ND1 HIS A 19 -14.593 -9.938 8.055 1.00 31.21 N ATOM 326 CD2 HIS A 19 -12.746 -8.754 8.391 1.00 62.21 C ATOM 327 CE1 HIS A 19 -14.713 -9.242 9.173 1.00 5.53 C ATOM 328 NE2 HIS A 19 -13.621 -8.507 9.416 1.00 10.25 N ATOM 0 H HIS A 19 -10.489 -11.395 7.204 1.00 21.32 H new ATOM 0 HA HIS A 19 -13.262 -12.302 6.741 1.00 72.21 H new ATOM 0 HB2 HIS A 19 -11.991 -9.651 5.932 1.00 51.44 H new ATOM 0 HB3 HIS A 19 -13.617 -10.162 5.524 1.00 51.44 H new ATOM 0 HD2 HIS A 19 -11.761 -8.328 8.271 1.00 62.21 H new ATOM 0 HE1 HIS A 19 -15.584 -9.264 9.811 1.00 5.53 H new ATOM 0 HE2 HIS A 19 -13.470 -7.884 10.210 1.00 10.25 H new ATOM 336 N VAL A 20 -10.787 -11.765 4.610 1.00 63.04 N ATOM 337 CA VAL A 20 -10.320 -12.077 3.264 1.00 54.22 C ATOM 338 C VAL A 20 -9.720 -13.478 3.186 1.00 14.43 C ATOM 339 O VAL A 20 -9.200 -13.997 4.176 1.00 12.12 O ATOM 340 CB VAL A 20 -9.284 -11.048 2.765 1.00 2.35 C ATOM 341 CG1 VAL A 20 -9.873 -9.647 2.782 1.00 15.03 C ATOM 342 CG2 VAL A 20 -8.005 -11.108 3.590 1.00 74.33 C ATOM 0 H VAL A 20 -10.152 -11.182 5.156 1.00 63.04 H new ATOM 0 HA VAL A 20 -11.197 -12.033 2.618 1.00 54.22 H new ATOM 0 HB VAL A 20 -9.027 -11.301 1.736 1.00 2.35 H new ATOM 0 HG11 VAL A 20 -9.128 -8.935 2.427 1.00 15.03 H new ATOM 0 HG12 VAL A 20 -10.747 -9.612 2.132 1.00 15.03 H new ATOM 0 HG13 VAL A 20 -10.167 -9.388 3.799 1.00 15.03 H new ATOM 0 HG21 VAL A 20 -7.295 -10.371 3.214 1.00 74.33 H new ATOM 0 HG22 VAL A 20 -8.235 -10.891 4.633 1.00 74.33 H new ATOM 0 HG23 VAL A 20 -7.569 -12.104 3.514 1.00 74.33 H new ATOM 352 N SER A 21 -9.801 -14.075 2.004 1.00 4.23 N ATOM 353 CA SER A 21 -9.261 -15.409 1.767 1.00 13.33 C ATOM 354 C SER A 21 -7.735 -15.370 1.704 1.00 41.42 C ATOM 355 O SER A 21 -7.138 -14.291 1.671 1.00 44.53 O ATOM 356 CB SER A 21 -9.829 -15.969 0.460 1.00 45.22 C ATOM 357 OG SER A 21 -11.247 -15.980 0.492 1.00 10.02 O ATOM 0 H SER A 21 -10.240 -13.652 1.186 1.00 4.23 H new ATOM 0 HA SER A 21 -9.552 -16.057 2.594 1.00 13.33 H new ATOM 0 HB2 SER A 21 -9.484 -15.366 -0.380 1.00 45.22 H new ATOM 0 HB3 SER A 21 -9.456 -16.981 0.300 1.00 45.22 H new ATOM 0 HG SER A 21 -11.590 -16.340 -0.352 1.00 10.02 H new ATOM 363 N GLU A 22 -7.110 -16.543 1.671 1.00 71.11 N ATOM 364 CA GLU A 22 -5.651 -16.637 1.641 1.00 2.35 C ATOM 365 C GLU A 22 -5.083 -16.058 0.351 1.00 12.43 C ATOM 366 O GLU A 22 -3.936 -15.611 0.314 1.00 30.41 O ATOM 367 CB GLU A 22 -5.193 -18.084 1.828 1.00 52.42 C ATOM 368 CG GLU A 22 -5.135 -18.519 3.286 1.00 23.23 C ATOM 369 CD GLU A 22 -6.461 -18.371 4.005 1.00 34.24 C ATOM 370 OE1 GLU A 22 -6.730 -17.278 4.547 1.00 21.22 O ATOM 371 OE2 GLU A 22 -7.240 -19.348 4.023 1.00 71.34 O ATOM 0 H GLU A 22 -7.590 -17.443 1.664 1.00 71.11 H new ATOM 0 HA GLU A 22 -5.267 -16.045 2.471 1.00 2.35 H new ATOM 0 HB2 GLU A 22 -5.871 -18.744 1.287 1.00 52.42 H new ATOM 0 HB3 GLU A 22 -4.206 -18.205 1.381 1.00 52.42 H new ATOM 0 HG2 GLU A 22 -4.816 -19.560 3.336 1.00 23.23 H new ATOM 0 HG3 GLU A 22 -4.380 -17.929 3.805 1.00 23.23 H new ATOM 378 N SER A 23 -5.894 -16.060 -0.698 1.00 20.41 N ATOM 379 CA SER A 23 -5.522 -15.418 -1.946 1.00 4.12 C ATOM 380 C SER A 23 -5.337 -13.919 -1.727 1.00 2.41 C ATOM 381 O SER A 23 -4.377 -13.319 -2.210 1.00 2.25 O ATOM 382 CB SER A 23 -6.599 -15.681 -3.000 1.00 2.14 C ATOM 383 OG SER A 23 -7.896 -15.462 -2.464 1.00 44.14 O ATOM 0 H SER A 23 -6.814 -16.500 -0.707 1.00 20.41 H new ATOM 0 HA SER A 23 -4.578 -15.832 -2.299 1.00 4.12 H new ATOM 0 HB2 SER A 23 -6.441 -15.028 -3.858 1.00 2.14 H new ATOM 0 HB3 SER A 23 -6.518 -16.707 -3.360 1.00 2.14 H new ATOM 0 HG SER A 23 -8.569 -15.634 -3.155 1.00 44.14 H new ATOM 389 N THR A 24 -6.249 -13.328 -0.965 1.00 13.52 N ATOM 390 CA THR A 24 -6.188 -11.912 -0.657 1.00 0.03 C ATOM 391 C THR A 24 -5.071 -11.623 0.347 1.00 11.40 C ATOM 392 O THR A 24 -4.461 -10.552 0.315 1.00 21.52 O ATOM 393 CB THR A 24 -7.533 -11.412 -0.104 1.00 33.13 C ATOM 394 OG1 THR A 24 -8.609 -11.957 -0.881 1.00 23.11 O ATOM 395 CG2 THR A 24 -7.600 -9.892 -0.136 1.00 73.44 C ATOM 0 H THR A 24 -7.043 -13.814 -0.549 1.00 13.52 H new ATOM 0 HA THR A 24 -5.973 -11.379 -1.583 1.00 0.03 H new ATOM 0 HB THR A 24 -7.624 -11.742 0.931 1.00 33.13 H new ATOM 0 HG1 THR A 24 -9.464 -11.638 -0.525 1.00 23.11 H new ATOM 0 HG21 THR A 24 -8.560 -9.562 0.260 1.00 73.44 H new ATOM 0 HG22 THR A 24 -6.795 -9.479 0.473 1.00 73.44 H new ATOM 0 HG23 THR A 24 -7.492 -9.545 -1.164 1.00 73.44 H new ATOM 403 N LYS A 25 -4.804 -12.586 1.234 1.00 2.33 N ATOM 404 CA LYS A 25 -3.683 -12.477 2.165 1.00 22.05 C ATOM 405 C LYS A 25 -2.392 -12.271 1.373 1.00 34.02 C ATOM 406 O LYS A 25 -1.578 -11.405 1.694 1.00 11.51 O ATOM 407 CB LYS A 25 -3.543 -13.745 3.020 1.00 12.04 C ATOM 408 CG LYS A 25 -4.807 -14.185 3.755 1.00 32.54 C ATOM 409 CD LYS A 25 -5.210 -13.233 4.868 1.00 63.22 C ATOM 410 CE LYS A 25 -5.916 -13.963 6.006 1.00 13.23 C ATOM 411 NZ LYS A 25 -7.032 -14.828 5.528 1.00 53.12 N ATOM 0 H LYS A 25 -5.347 -13.445 1.325 1.00 2.33 H new ATOM 0 HA LYS A 25 -3.869 -11.631 2.827 1.00 22.05 H new ATOM 0 HB2 LYS A 25 -3.215 -14.562 2.377 1.00 12.04 H new ATOM 0 HB3 LYS A 25 -2.755 -13.582 3.755 1.00 12.04 H new ATOM 0 HG2 LYS A 25 -5.626 -14.267 3.040 1.00 32.54 H new ATOM 0 HG3 LYS A 25 -4.649 -15.179 4.174 1.00 32.54 H new ATOM 0 HD2 LYS A 25 -4.324 -12.728 5.254 1.00 63.22 H new ATOM 0 HD3 LYS A 25 -5.868 -12.462 4.467 1.00 63.22 H new ATOM 0 HE2 LYS A 25 -5.192 -14.575 6.544 1.00 13.23 H new ATOM 0 HE3 LYS A 25 -6.306 -13.232 6.715 1.00 13.23 H new ATOM 0 HZ1 LYS A 25 -7.593 -15.152 6.342 1.00 53.12 H new ATOM 0 HZ2 LYS A 25 -7.640 -14.285 4.882 1.00 53.12 H new ATOM 0 HZ3 LYS A 25 -6.643 -15.651 5.026 1.00 53.12 H new ATOM 425 N ARG A 26 -2.241 -13.071 0.315 1.00 53.13 N ATOM 426 CA ARG A 26 -1.082 -12.995 -0.570 1.00 62.31 C ATOM 427 C ARG A 26 -0.937 -11.592 -1.160 1.00 74.34 C ATOM 428 O ARG A 26 0.169 -11.050 -1.218 1.00 31.23 O ATOM 429 CB ARG A 26 -1.214 -14.018 -1.706 1.00 22.35 C ATOM 430 CG ARG A 26 -0.032 -14.020 -2.665 1.00 52.43 C ATOM 431 CD ARG A 26 1.199 -14.657 -2.042 1.00 45.13 C ATOM 432 NE ARG A 26 1.093 -16.114 -1.988 1.00 40.45 N ATOM 433 CZ ARG A 26 1.687 -16.880 -1.076 1.00 72.21 C ATOM 434 NH1 ARG A 26 2.401 -16.338 -0.097 1.00 54.42 N ATOM 435 NH2 ARG A 26 1.564 -18.198 -1.148 1.00 44.31 N ATOM 0 H ARG A 26 -2.918 -13.787 0.050 1.00 53.13 H new ATOM 0 HA ARG A 26 -0.193 -13.220 0.019 1.00 62.31 H new ATOM 0 HB2 ARG A 26 -1.324 -15.014 -1.276 1.00 22.35 H new ATOM 0 HB3 ARG A 26 -2.125 -13.810 -2.267 1.00 22.35 H new ATOM 0 HG2 ARG A 26 -0.301 -14.561 -3.572 1.00 52.43 H new ATOM 0 HG3 ARG A 26 0.198 -12.996 -2.960 1.00 52.43 H new ATOM 0 HD2 ARG A 26 2.082 -14.379 -2.617 1.00 45.13 H new ATOM 0 HD3 ARG A 26 1.339 -14.266 -1.034 1.00 45.13 H new ATOM 0 HE ARG A 26 0.525 -16.575 -2.698 1.00 40.45 H new ATOM 0 HH11 ARG A 26 2.499 -15.324 -0.038 1.00 54.42 H new ATOM 0 HH12 ARG A 26 2.852 -16.935 0.596 1.00 54.42 H new ATOM 0 HH21 ARG A 26 1.017 -18.619 -1.899 1.00 44.31 H new ATOM 0 HH22 ARG A 26 2.017 -18.791 -0.452 1.00 44.31 H new ATOM 449 N HIS A 27 -2.057 -11.014 -1.594 1.00 51.31 N ATOM 450 CA HIS A 27 -2.062 -9.667 -2.165 1.00 24.32 C ATOM 451 C HIS A 27 -1.502 -8.651 -1.179 1.00 23.30 C ATOM 452 O HIS A 27 -0.572 -7.911 -1.499 1.00 43.24 O ATOM 453 CB HIS A 27 -3.479 -9.248 -2.578 1.00 73.11 C ATOM 454 CG HIS A 27 -3.918 -9.791 -3.903 1.00 41.41 C ATOM 455 ND1 HIS A 27 -3.866 -9.017 -5.036 1.00 12.23 N ATOM 456 CD2 HIS A 27 -4.421 -11.006 -4.219 1.00 74.24 C ATOM 457 CE1 HIS A 27 -4.336 -9.771 -6.013 1.00 43.02 C ATOM 458 NE2 HIS A 27 -4.683 -10.986 -5.566 1.00 74.30 N ATOM 0 H HIS A 27 -2.974 -11.459 -1.561 1.00 51.31 H new ATOM 0 HA HIS A 27 -1.426 -9.690 -3.050 1.00 24.32 H new ATOM 0 HB2 HIS A 27 -4.181 -9.578 -1.812 1.00 73.11 H new ATOM 0 HB3 HIS A 27 -3.529 -8.160 -2.609 1.00 73.11 H new ATOM 0 HD2 HIS A 27 -4.585 -11.832 -3.543 1.00 74.24 H new ATOM 0 HE1 HIS A 27 -4.429 -9.450 -7.040 1.00 43.02 H new ATOM 0 HE2 HIS A 27 -5.068 -11.750 -6.121 1.00 74.30 H new ATOM 466 N TYR A 28 -2.060 -8.634 0.026 1.00 13.13 N ATOM 467 CA TYR A 28 -1.651 -7.672 1.041 1.00 52.31 C ATOM 468 C TYR A 28 -0.202 -7.879 1.462 1.00 44.34 C ATOM 469 O TYR A 28 0.534 -6.909 1.641 1.00 31.44 O ATOM 470 CB TYR A 28 -2.573 -7.738 2.256 1.00 31.33 C ATOM 471 CG TYR A 28 -3.882 -7.005 2.058 1.00 64.31 C ATOM 472 CD1 TYR A 28 -3.968 -5.637 2.282 1.00 43.51 C ATOM 473 CD2 TYR A 28 -5.030 -7.678 1.658 1.00 21.22 C ATOM 474 CE1 TYR A 28 -5.157 -4.959 2.109 1.00 74.43 C ATOM 475 CE2 TYR A 28 -6.225 -7.004 1.484 1.00 21.33 C ATOM 476 CZ TYR A 28 -6.284 -5.648 1.712 1.00 41.30 C ATOM 477 OH TYR A 28 -7.473 -4.975 1.543 1.00 41.43 O ATOM 0 H TYR A 28 -2.796 -9.275 0.323 1.00 13.13 H new ATOM 0 HA TYR A 28 -1.730 -6.680 0.597 1.00 52.31 H new ATOM 0 HB2 TYR A 28 -2.782 -8.782 2.488 1.00 31.33 H new ATOM 0 HB3 TYR A 28 -2.056 -7.317 3.118 1.00 31.33 H new ATOM 0 HD1 TYR A 28 -3.089 -5.095 2.597 1.00 43.51 H new ATOM 0 HD2 TYR A 28 -4.988 -8.742 1.480 1.00 21.22 H new ATOM 0 HE1 TYR A 28 -5.205 -3.894 2.284 1.00 74.43 H new ATOM 0 HE2 TYR A 28 -7.109 -7.540 1.170 1.00 21.33 H new ATOM 0 HH TYR A 28 -7.450 -4.476 0.700 1.00 41.43 H new ATOM 487 N GLU A 29 0.210 -9.131 1.617 1.00 40.51 N ATOM 488 CA GLU A 29 1.600 -9.427 1.941 1.00 41.23 C ATOM 489 C GLU A 29 2.531 -8.932 0.838 1.00 55.14 C ATOM 490 O GLU A 29 3.582 -8.355 1.119 1.00 11.33 O ATOM 491 CB GLU A 29 1.815 -10.921 2.166 1.00 34.31 C ATOM 492 CG GLU A 29 1.345 -11.413 3.525 1.00 54.05 C ATOM 493 CD GLU A 29 1.878 -12.794 3.847 1.00 20.53 C ATOM 494 OE1 GLU A 29 3.116 -12.944 3.950 1.00 23.20 O ATOM 495 OE2 GLU A 29 1.071 -13.732 4.009 1.00 0.03 O ATOM 0 H GLU A 29 -0.391 -9.950 1.525 1.00 40.51 H new ATOM 0 HA GLU A 29 1.835 -8.903 2.867 1.00 41.23 H new ATOM 0 HB2 GLU A 29 1.289 -11.475 1.388 1.00 34.31 H new ATOM 0 HB3 GLU A 29 2.876 -11.146 2.056 1.00 34.31 H new ATOM 0 HG2 GLU A 29 1.667 -10.712 4.295 1.00 54.05 H new ATOM 0 HG3 GLU A 29 0.255 -11.431 3.546 1.00 54.05 H new ATOM 502 N SER A 30 2.140 -9.153 -0.414 1.00 44.44 N ATOM 503 CA SER A 30 2.931 -8.700 -1.550 1.00 21.04 C ATOM 504 C SER A 30 3.018 -7.177 -1.567 1.00 0.42 C ATOM 505 O SER A 30 4.078 -6.608 -1.821 1.00 63.22 O ATOM 506 CB SER A 30 2.331 -9.215 -2.860 1.00 64.23 C ATOM 507 OG SER A 30 2.275 -10.633 -2.870 1.00 2.30 O ATOM 0 H SER A 30 1.281 -9.642 -0.666 1.00 44.44 H new ATOM 0 HA SER A 30 3.939 -9.103 -1.450 1.00 21.04 H new ATOM 0 HB2 SER A 30 1.329 -8.807 -2.991 1.00 64.23 H new ATOM 0 HB3 SER A 30 2.930 -8.865 -3.701 1.00 64.23 H new ATOM 0 HG SER A 30 1.451 -10.931 -2.431 1.00 2.30 H new ATOM 513 N ALA A 31 1.904 -6.522 -1.277 1.00 41.11 N ATOM 514 CA ALA A 31 1.876 -5.072 -1.185 1.00 2.51 C ATOM 515 C ALA A 31 2.804 -4.589 -0.074 1.00 22.13 C ATOM 516 O ALA A 31 3.671 -3.745 -0.296 1.00 42.43 O ATOM 517 CB ALA A 31 0.455 -4.596 -0.937 1.00 12.31 C ATOM 0 H ALA A 31 1.006 -6.974 -1.101 1.00 41.11 H new ATOM 0 HA ALA A 31 2.227 -4.653 -2.128 1.00 2.51 H new ATOM 0 HB1 ALA A 31 0.442 -3.508 -0.869 1.00 12.31 H new ATOM 0 HB2 ALA A 31 -0.185 -4.916 -1.760 1.00 12.31 H new ATOM 0 HB3 ALA A 31 0.086 -5.022 -0.004 1.00 12.31 H new ATOM 523 N TYR A 32 2.628 -5.162 1.109 1.00 54.30 N ATOM 524 CA TYR A 32 3.406 -4.796 2.285 1.00 2.24 C ATOM 525 C TYR A 32 4.910 -4.969 2.055 1.00 3.14 C ATOM 526 O TYR A 32 5.703 -4.103 2.433 1.00 72.53 O ATOM 527 CB TYR A 32 2.944 -5.636 3.483 1.00 62.14 C ATOM 528 CG TYR A 32 3.805 -5.496 4.721 1.00 72.24 C ATOM 529 CD1 TYR A 32 4.012 -4.260 5.321 1.00 2.44 C ATOM 530 CD2 TYR A 32 4.403 -6.610 5.293 1.00 62.22 C ATOM 531 CE1 TYR A 32 4.794 -4.140 6.454 1.00 23.11 C ATOM 532 CE2 TYR A 32 5.186 -6.498 6.425 1.00 22.24 C ATOM 533 CZ TYR A 32 5.378 -5.262 7.003 1.00 20.12 C ATOM 534 OH TYR A 32 6.160 -5.149 8.133 1.00 43.20 O ATOM 0 H TYR A 32 1.940 -5.895 1.281 1.00 54.30 H new ATOM 0 HA TYR A 32 3.236 -3.739 2.490 1.00 2.24 H new ATOM 0 HB2 TYR A 32 1.921 -5.355 3.734 1.00 62.14 H new ATOM 0 HB3 TYR A 32 2.923 -6.685 3.188 1.00 62.14 H new ATOM 0 HD1 TYR A 32 3.555 -3.379 4.895 1.00 2.44 H new ATOM 0 HD2 TYR A 32 4.253 -7.581 4.845 1.00 62.22 H new ATOM 0 HE1 TYR A 32 4.947 -3.172 6.907 1.00 23.11 H new ATOM 0 HE2 TYR A 32 5.646 -7.375 6.855 1.00 22.24 H new ATOM 0 HH TYR A 32 6.494 -6.034 8.389 1.00 43.20 H new ATOM 544 N LYS A 33 5.307 -6.072 1.429 1.00 3.14 N ATOM 545 CA LYS A 33 6.725 -6.357 1.243 1.00 50.20 C ATOM 546 C LYS A 33 7.359 -5.419 0.219 1.00 0.41 C ATOM 547 O LYS A 33 8.530 -5.069 0.350 1.00 13.21 O ATOM 548 CB LYS A 33 6.960 -7.826 0.867 1.00 12.15 C ATOM 549 CG LYS A 33 6.371 -8.249 -0.470 1.00 23.15 C ATOM 550 CD LYS A 33 6.512 -9.749 -0.687 1.00 35.11 C ATOM 551 CE LYS A 33 5.760 -10.536 0.377 1.00 34.24 C ATOM 552 NZ LYS A 33 5.930 -12.003 0.218 1.00 23.42 N ATOM 0 H LYS A 33 4.676 -6.776 1.046 1.00 3.14 H new ATOM 0 HA LYS A 33 7.215 -6.178 2.200 1.00 50.20 H new ATOM 0 HB2 LYS A 33 8.034 -8.014 0.850 1.00 12.15 H new ATOM 0 HB3 LYS A 33 6.538 -8.458 1.649 1.00 12.15 H new ATOM 0 HG2 LYS A 33 5.318 -7.971 -0.510 1.00 23.15 H new ATOM 0 HG3 LYS A 33 6.873 -7.714 -1.276 1.00 23.15 H new ATOM 0 HD2 LYS A 33 6.132 -10.013 -1.674 1.00 35.11 H new ATOM 0 HD3 LYS A 33 7.567 -10.024 -0.668 1.00 35.11 H new ATOM 0 HE2 LYS A 33 6.112 -10.236 1.364 1.00 34.24 H new ATOM 0 HE3 LYS A 33 4.700 -10.288 0.328 1.00 34.24 H new ATOM 0 HZ1 LYS A 33 5.400 -12.497 0.964 1.00 23.42 H new ATOM 0 HZ2 LYS A 33 5.570 -12.295 -0.713 1.00 23.42 H new ATOM 0 HZ3 LYS A 33 6.939 -12.246 0.291 1.00 23.42 H new ATOM 566 N HIS A 34 6.594 -4.998 -0.785 1.00 53.11 N ATOM 567 CA HIS A 34 7.102 -4.036 -1.765 1.00 43.24 C ATOM 568 C HIS A 34 7.160 -2.636 -1.165 1.00 5.41 C ATOM 569 O HIS A 34 8.072 -1.859 -1.463 1.00 45.12 O ATOM 570 CB HIS A 34 6.250 -4.024 -3.037 1.00 1.43 C ATOM 571 CG HIS A 34 6.545 -5.150 -3.981 1.00 54.41 C ATOM 572 ND1 HIS A 34 7.682 -5.229 -4.760 1.00 44.51 N ATOM 573 CD2 HIS A 34 5.816 -6.255 -4.276 1.00 60.32 C ATOM 574 CE1 HIS A 34 7.605 -6.349 -5.487 1.00 52.51 C ATOM 575 NE2 HIS A 34 6.490 -7.010 -5.230 1.00 44.24 N ATOM 0 H HIS A 34 5.633 -5.301 -0.942 1.00 53.11 H new ATOM 0 HA HIS A 34 8.110 -4.350 -2.035 1.00 43.24 H new ATOM 0 HB2 HIS A 34 5.197 -4.065 -2.757 1.00 1.43 H new ATOM 0 HB3 HIS A 34 6.405 -3.078 -3.556 1.00 1.43 H new ATOM 0 HD2 HIS A 34 4.862 -6.509 -3.839 1.00 60.32 H new ATOM 0 HE1 HIS A 34 8.357 -6.671 -6.192 1.00 52.51 H new ATOM 0 HE2 HIS A 34 6.187 -7.891 -5.645 1.00 44.24 H new ATOM 583 N ILE A 35 6.184 -2.315 -0.322 1.00 62.51 N ATOM 584 CA ILE A 35 6.180 -1.043 0.392 1.00 60.41 C ATOM 585 C ILE A 35 7.394 -0.951 1.306 1.00 52.35 C ATOM 586 O ILE A 35 8.143 0.021 1.257 1.00 2.12 O ATOM 587 CB ILE A 35 4.892 -0.852 1.221 1.00 23.31 C ATOM 588 CG1 ILE A 35 3.679 -0.710 0.295 1.00 51.42 C ATOM 589 CG2 ILE A 35 5.020 0.363 2.132 1.00 14.31 C ATOM 590 CD1 ILE A 35 2.360 -0.606 1.027 1.00 31.01 C ATOM 0 H ILE A 35 5.387 -2.917 -0.117 1.00 62.51 H new ATOM 0 HA ILE A 35 6.219 -0.250 -0.355 1.00 60.41 H new ATOM 0 HB ILE A 35 4.746 -1.733 1.846 1.00 23.31 H new ATOM 0 HG12 ILE A 35 3.810 0.176 -0.326 1.00 51.42 H new ATOM 0 HG13 ILE A 35 3.644 -1.568 -0.377 1.00 51.42 H new ATOM 0 HG21 ILE A 35 4.103 0.483 2.709 1.00 14.31 H new ATOM 0 HG22 ILE A 35 5.861 0.222 2.811 1.00 14.31 H new ATOM 0 HG23 ILE A 35 5.188 1.255 1.528 1.00 14.31 H new ATOM 0 HD11 ILE A 35 1.550 -0.508 0.305 1.00 31.01 H new ATOM 0 HD12 ILE A 35 2.205 -1.503 1.627 1.00 31.01 H new ATOM 0 HD13 ILE A 35 2.373 0.268 1.678 1.00 31.01 H new ATOM 602 N LYS A 36 7.597 -1.982 2.116 1.00 72.41 N ATOM 603 CA LYS A 36 8.738 -2.045 3.021 1.00 4.33 C ATOM 604 C LYS A 36 10.050 -2.085 2.233 1.00 22.20 C ATOM 605 O LYS A 36 11.094 -1.637 2.709 1.00 54.13 O ATOM 606 CB LYS A 36 8.603 -3.272 3.932 1.00 12.31 C ATOM 607 CG LYS A 36 9.781 -3.491 4.870 1.00 5.34 C ATOM 608 CD LYS A 36 9.436 -4.463 5.992 1.00 5.15 C ATOM 609 CE LYS A 36 8.983 -5.820 5.469 1.00 42.22 C ATOM 610 NZ LYS A 36 10.065 -6.540 4.749 1.00 63.34 N ATOM 0 H LYS A 36 6.980 -2.793 2.165 1.00 72.41 H new ATOM 0 HA LYS A 36 8.754 -1.149 3.641 1.00 4.33 H new ATOM 0 HB2 LYS A 36 7.695 -3.170 4.526 1.00 12.31 H new ATOM 0 HB3 LYS A 36 8.479 -4.159 3.311 1.00 12.31 H new ATOM 0 HG2 LYS A 36 10.630 -3.875 4.304 1.00 5.34 H new ATOM 0 HG3 LYS A 36 10.088 -2.536 5.297 1.00 5.34 H new ATOM 0 HD2 LYS A 36 10.307 -4.597 6.633 1.00 5.15 H new ATOM 0 HD3 LYS A 36 8.648 -4.034 6.611 1.00 5.15 H new ATOM 0 HE2 LYS A 36 8.637 -6.430 6.303 1.00 42.22 H new ATOM 0 HE3 LYS A 36 8.134 -5.683 4.800 1.00 42.22 H new ATOM 0 HZ1 LYS A 36 9.713 -7.464 4.427 1.00 63.34 H new ATOM 0 HZ2 LYS A 36 10.368 -5.980 3.927 1.00 63.34 H new ATOM 0 HZ3 LYS A 36 10.873 -6.681 5.388 1.00 63.34 H new ATOM 624 N ASP A 37 9.978 -2.618 1.020 1.00 73.44 N ATOM 625 CA ASP A 37 11.140 -2.721 0.141 1.00 61.15 C ATOM 626 C ASP A 37 11.597 -1.343 -0.333 1.00 32.33 C ATOM 627 O ASP A 37 12.789 -1.041 -0.335 1.00 75.41 O ATOM 628 CB ASP A 37 10.799 -3.604 -1.061 1.00 35.23 C ATOM 629 CG ASP A 37 11.982 -3.847 -1.972 1.00 75.54 C ATOM 630 OD1 ASP A 37 12.858 -4.656 -1.607 1.00 75.52 O ATOM 631 OD2 ASP A 37 12.024 -3.255 -3.074 1.00 40.12 O ATOM 0 H ASP A 37 9.118 -2.990 0.617 1.00 73.44 H new ATOM 0 HA ASP A 37 11.958 -3.171 0.703 1.00 61.15 H new ATOM 0 HB2 ASP A 37 10.419 -4.562 -0.705 1.00 35.23 H new ATOM 0 HB3 ASP A 37 9.998 -3.136 -1.633 1.00 35.23 H new ATOM 636 N HIS A 38 10.641 -0.509 -0.729 1.00 61.32 N ATOM 637 CA HIS A 38 10.946 0.838 -1.209 1.00 75.34 C ATOM 638 C HIS A 38 11.026 1.836 -0.060 1.00 72.34 C ATOM 639 O HIS A 38 12.032 2.524 0.114 1.00 65.32 O ATOM 640 CB HIS A 38 9.890 1.313 -2.210 1.00 43.41 C ATOM 641 CG HIS A 38 10.103 0.830 -3.610 1.00 24.52 C ATOM 642 ND1 HIS A 38 10.086 1.672 -4.703 1.00 15.12 N ATOM 643 CD2 HIS A 38 10.316 -0.413 -4.100 1.00 25.43 C ATOM 644 CE1 HIS A 38 10.276 0.967 -5.801 1.00 52.14 C ATOM 645 NE2 HIS A 38 10.419 -0.298 -5.460 1.00 13.43 N ATOM 0 H HIS A 38 9.648 -0.740 -0.728 1.00 61.32 H new ATOM 0 HA HIS A 38 11.917 0.788 -1.701 1.00 75.34 H new ATOM 0 HB2 HIS A 38 8.909 0.981 -1.870 1.00 43.41 H new ATOM 0 HB3 HIS A 38 9.874 2.403 -2.213 1.00 43.41 H new ATOM 0 HD2 HIS A 38 10.391 -1.325 -3.526 1.00 25.43 H new ATOM 0 HE1 HIS A 38 10.309 1.359 -6.807 1.00 52.14 H new ATOM 0 HE2 HIS A 38 10.581 -1.069 -6.107 1.00 13.43 H new ATOM 654 N PHE A 39 9.962 1.897 0.730 1.00 63.51 N ATOM 655 CA PHE A 39 9.817 2.922 1.752 1.00 75.44 C ATOM 656 C PHE A 39 10.441 2.476 3.069 1.00 34.31 C ATOM 657 O PHE A 39 9.759 2.307 4.081 1.00 54.41 O ATOM 658 CB PHE A 39 8.340 3.271 1.937 1.00 53.33 C ATOM 659 CG PHE A 39 7.689 3.762 0.676 1.00 42.12 C ATOM 660 CD1 PHE A 39 8.168 4.890 0.028 1.00 63.43 C ATOM 661 CD2 PHE A 39 6.597 3.099 0.140 1.00 75.43 C ATOM 662 CE1 PHE A 39 7.570 5.345 -1.129 1.00 52.04 C ATOM 663 CE2 PHE A 39 5.995 3.551 -1.018 1.00 60.05 C ATOM 664 CZ PHE A 39 6.481 4.677 -1.653 1.00 11.04 C ATOM 0 H PHE A 39 9.181 1.242 0.680 1.00 63.51 H new ATOM 0 HA PHE A 39 10.348 3.816 1.424 1.00 75.44 H new ATOM 0 HB2 PHE A 39 7.807 2.390 2.295 1.00 53.33 H new ATOM 0 HB3 PHE A 39 8.247 4.036 2.708 1.00 53.33 H new ATOM 0 HD1 PHE A 39 9.018 5.418 0.433 1.00 63.43 H new ATOM 0 HD2 PHE A 39 6.212 2.219 0.633 1.00 75.43 H new ATOM 0 HE1 PHE A 39 7.954 6.224 -1.625 1.00 52.04 H new ATOM 0 HE2 PHE A 39 5.145 3.024 -1.426 1.00 60.05 H new ATOM 0 HZ PHE A 39 6.011 5.034 -2.557 1.00 11.04 H new ATOM 674 N ARG A 40 11.745 2.285 3.032 1.00 30.55 N ATOM 675 CA ARG A 40 12.505 1.857 4.195 1.00 11.11 C ATOM 676 C ARG A 40 12.553 2.969 5.237 1.00 42.24 C ATOM 677 O ARG A 40 13.156 4.017 5.006 1.00 62.43 O ATOM 678 CB ARG A 40 13.920 1.474 3.763 1.00 74.12 C ATOM 679 CG ARG A 40 13.934 0.587 2.529 1.00 14.42 C ATOM 680 CD ARG A 40 15.318 0.485 1.919 1.00 31.44 C ATOM 681 NE ARG A 40 15.251 0.033 0.531 1.00 2.42 N ATOM 682 CZ ARG A 40 15.986 0.546 -0.451 1.00 5.12 C ATOM 683 NH1 ARG A 40 16.900 1.473 -0.190 1.00 71.33 N ATOM 684 NH2 ARG A 40 15.818 0.128 -1.699 1.00 65.41 N ATOM 0 H ARG A 40 12.311 2.422 2.194 1.00 30.55 H new ATOM 0 HA ARG A 40 12.018 0.991 4.642 1.00 11.11 H new ATOM 0 HB2 ARG A 40 14.492 2.380 3.562 1.00 74.12 H new ATOM 0 HB3 ARG A 40 14.419 0.958 4.583 1.00 74.12 H new ATOM 0 HG2 ARG A 40 13.580 -0.409 2.795 1.00 14.42 H new ATOM 0 HG3 ARG A 40 13.240 0.985 1.789 1.00 14.42 H new ATOM 0 HD2 ARG A 40 15.811 1.456 1.965 1.00 31.44 H new ATOM 0 HD3 ARG A 40 15.925 -0.208 2.501 1.00 31.44 H new ATOM 0 HE ARG A 40 14.602 -0.720 0.302 1.00 2.42 H new ATOM 0 HH11 ARG A 40 17.041 1.795 0.768 1.00 71.33 H new ATOM 0 HH12 ARG A 40 17.461 1.863 -0.947 1.00 71.33 H new ATOM 0 HH21 ARG A 40 15.123 -0.589 -1.907 1.00 65.41 H new ATOM 0 HH22 ARG A 40 16.384 0.524 -2.450 1.00 65.41 H new ATOM 698 N HIS A 41 11.882 2.739 6.367 1.00 62.22 N ATOM 699 CA HIS A 41 11.829 3.710 7.470 1.00 41.33 C ATOM 700 C HIS A 41 11.102 4.982 7.043 1.00 74.14 C ATOM 701 O HIS A 41 11.319 6.051 7.611 1.00 12.44 O ATOM 702 CB HIS A 41 13.236 4.067 7.971 1.00 53.22 C ATOM 703 CG HIS A 41 14.008 2.907 8.513 1.00 63.23 C ATOM 704 ND1 HIS A 41 15.375 2.931 8.686 1.00 24.15 N ATOM 705 CD2 HIS A 41 13.603 1.682 8.917 1.00 60.15 C ATOM 706 CE1 HIS A 41 15.776 1.771 9.171 1.00 42.43 C ATOM 707 NE2 HIS A 41 14.719 0.996 9.318 1.00 61.03 N ATOM 0 H HIS A 41 11.361 1.880 6.546 1.00 62.22 H new ATOM 0 HA HIS A 41 11.278 3.240 8.285 1.00 41.33 H new ATOM 0 HB2 HIS A 41 13.799 4.512 7.151 1.00 53.22 H new ATOM 0 HB3 HIS A 41 13.151 4.827 8.748 1.00 53.22 H new ATOM 0 HD2 HIS A 41 12.588 1.313 8.923 1.00 60.15 H new ATOM 0 HE1 HIS A 41 16.795 1.502 9.407 1.00 42.43 H new ATOM 0 HE2 HIS A 41 14.731 0.040 9.673 1.00 61.03 H new ATOM 716 N LYS A 42 10.228 4.863 6.054 1.00 12.34 N ATOM 717 CA LYS A 42 9.503 6.018 5.553 1.00 60.45 C ATOM 718 C LYS A 42 8.184 6.187 6.296 1.00 33.10 C ATOM 719 O LYS A 42 7.429 5.229 6.469 1.00 33.54 O ATOM 720 CB LYS A 42 9.224 5.872 4.060 1.00 53.24 C ATOM 721 CG LYS A 42 9.561 7.110 3.244 1.00 22.03 C ATOM 722 CD LYS A 42 11.038 7.155 2.888 1.00 3.31 C ATOM 723 CE LYS A 42 11.366 8.377 2.046 1.00 40.43 C ATOM 724 NZ LYS A 42 11.771 9.540 2.875 1.00 41.41 N ATOM 0 H LYS A 42 10.006 3.984 5.586 1.00 12.34 H new ATOM 0 HA LYS A 42 10.124 6.899 5.718 1.00 60.45 H new ATOM 0 HB2 LYS A 42 9.797 5.028 3.675 1.00 53.24 H new ATOM 0 HB3 LYS A 42 8.170 5.633 3.919 1.00 53.24 H new ATOM 0 HG2 LYS A 42 8.965 7.119 2.331 1.00 22.03 H new ATOM 0 HG3 LYS A 42 9.294 8.003 3.808 1.00 22.03 H new ATOM 0 HD2 LYS A 42 11.634 7.169 3.801 1.00 3.31 H new ATOM 0 HD3 LYS A 42 11.311 6.251 2.343 1.00 3.31 H new ATOM 0 HE2 LYS A 42 12.169 8.132 1.351 1.00 40.43 H new ATOM 0 HE3 LYS A 42 10.497 8.646 1.446 1.00 40.43 H new ATOM 0 HZ1 LYS A 42 11.610 10.419 2.343 1.00 41.41 H new ATOM 0 HZ2 LYS A 42 11.208 9.556 3.749 1.00 41.41 H new ATOM 0 HZ3 LYS A 42 12.780 9.461 3.115 1.00 41.41 H new ATOM 738 N LEU A 43 7.917 7.408 6.733 1.00 21.45 N ATOM 739 CA LEU A 43 6.658 7.734 7.389 1.00 60.40 C ATOM 740 C LEU A 43 5.548 7.811 6.345 1.00 13.32 C ATOM 741 O LEU A 43 5.821 8.060 5.172 1.00 53.31 O ATOM 742 CB LEU A 43 6.786 9.072 8.118 1.00 34.51 C ATOM 743 CG LEU A 43 7.955 9.164 9.099 1.00 51.04 C ATOM 744 CD1 LEU A 43 8.290 10.618 9.389 1.00 44.10 C ATOM 745 CD2 LEU A 43 7.623 8.426 10.386 1.00 52.33 C ATOM 0 H LEU A 43 8.560 8.195 6.645 1.00 21.45 H new ATOM 0 HA LEU A 43 6.414 6.959 8.116 1.00 60.40 H new ATOM 0 HB2 LEU A 43 6.890 9.864 7.377 1.00 34.51 H new ATOM 0 HB3 LEU A 43 5.860 9.263 8.660 1.00 34.51 H new ATOM 0 HG LEU A 43 8.828 8.694 8.646 1.00 51.04 H new ATOM 0 HD11 LEU A 43 9.124 10.667 10.089 1.00 44.10 H new ATOM 0 HD12 LEU A 43 8.565 11.120 8.461 1.00 44.10 H new ATOM 0 HD13 LEU A 43 7.421 11.112 9.825 1.00 44.10 H new ATOM 0 HD21 LEU A 43 8.464 8.500 11.075 1.00 52.33 H new ATOM 0 HD22 LEU A 43 6.739 8.871 10.843 1.00 52.33 H new ATOM 0 HD23 LEU A 43 7.427 7.377 10.164 1.00 52.33 H new ATOM 757 N LEU A 44 4.300 7.615 6.760 1.00 73.35 N ATOM 758 CA LEU A 44 3.185 7.588 5.814 1.00 20.11 C ATOM 759 C LEU A 44 2.991 8.946 5.130 1.00 5.42 C ATOM 760 O LEU A 44 2.603 9.009 3.966 1.00 53.45 O ATOM 761 CB LEU A 44 1.881 7.134 6.488 1.00 60.32 C ATOM 762 CG LEU A 44 1.207 8.145 7.424 1.00 60.02 C ATOM 763 CD1 LEU A 44 -0.197 7.677 7.765 1.00 53.31 C ATOM 764 CD2 LEU A 44 2.017 8.339 8.696 1.00 31.15 C ATOM 0 H LEU A 44 4.035 7.474 7.735 1.00 73.35 H new ATOM 0 HA LEU A 44 3.440 6.857 5.047 1.00 20.11 H new ATOM 0 HB2 LEU A 44 1.169 6.864 5.708 1.00 60.32 H new ATOM 0 HB3 LEU A 44 2.089 6.228 7.057 1.00 60.32 H new ATOM 0 HG LEU A 44 1.152 9.104 6.909 1.00 60.02 H new ATOM 0 HD11 LEU A 44 -0.670 8.400 8.430 1.00 53.31 H new ATOM 0 HD12 LEU A 44 -0.783 7.588 6.850 1.00 53.31 H new ATOM 0 HD13 LEU A 44 -0.147 6.707 8.260 1.00 53.31 H new ATOM 0 HD21 LEU A 44 1.515 9.061 9.340 1.00 31.15 H new ATOM 0 HD22 LEU A 44 2.107 7.387 9.219 1.00 31.15 H new ATOM 0 HD23 LEU A 44 3.010 8.709 8.442 1.00 31.15 H new ATOM 776 N LYS A 45 3.280 10.029 5.844 1.00 42.42 N ATOM 777 CA LYS A 45 3.193 11.364 5.258 1.00 41.41 C ATOM 778 C LYS A 45 4.546 11.795 4.702 1.00 30.01 C ATOM 779 O LYS A 45 4.677 12.872 4.123 1.00 65.41 O ATOM 780 CB LYS A 45 2.693 12.389 6.280 1.00 44.11 C ATOM 781 CG LYS A 45 3.434 12.358 7.607 1.00 35.31 C ATOM 782 CD LYS A 45 3.222 13.645 8.390 1.00 23.32 C ATOM 783 CE LYS A 45 3.826 14.839 7.665 1.00 72.21 C ATOM 784 NZ LYS A 45 3.572 16.118 8.374 1.00 63.50 N ATOM 0 H LYS A 45 3.574 10.011 6.821 1.00 42.42 H new ATOM 0 HA LYS A 45 2.473 11.320 4.441 1.00 41.41 H new ATOM 0 HB2 LYS A 45 2.782 13.387 5.850 1.00 44.11 H new ATOM 0 HB3 LYS A 45 1.633 12.214 6.464 1.00 44.11 H new ATOM 0 HG2 LYS A 45 3.090 11.509 8.198 1.00 35.31 H new ATOM 0 HG3 LYS A 45 4.499 12.210 7.428 1.00 35.31 H new ATOM 0 HD2 LYS A 45 2.155 13.810 8.541 1.00 23.32 H new ATOM 0 HD3 LYS A 45 3.673 13.551 9.378 1.00 23.32 H new ATOM 0 HE2 LYS A 45 4.901 14.692 7.561 1.00 72.21 H new ATOM 0 HE3 LYS A 45 3.413 14.896 6.658 1.00 72.21 H new ATOM 0 HZ1 LYS A 45 4.002 16.901 7.842 1.00 63.50 H new ATOM 0 HZ2 LYS A 45 2.547 16.274 8.452 1.00 63.50 H new ATOM 0 HZ3 LYS A 45 3.989 16.076 9.326 1.00 63.50 H new ATOM 798 N ASP A 46 5.544 10.937 4.872 1.00 43.13 N ATOM 799 CA ASP A 46 6.887 11.202 4.366 1.00 40.41 C ATOM 800 C ASP A 46 7.031 10.600 2.975 1.00 61.25 C ATOM 801 O ASP A 46 8.038 10.789 2.290 1.00 53.23 O ATOM 802 CB ASP A 46 7.932 10.609 5.318 1.00 33.43 C ATOM 803 CG ASP A 46 9.357 10.961 4.950 1.00 34.35 C ATOM 804 OD1 ASP A 46 9.672 12.161 4.815 1.00 24.21 O ATOM 805 OD2 ASP A 46 10.174 10.034 4.809 1.00 21.40 O ATOM 0 H ASP A 46 5.449 10.046 5.359 1.00 43.13 H new ATOM 0 HA ASP A 46 7.048 12.278 4.306 1.00 40.41 H new ATOM 0 HB2 ASP A 46 7.730 10.960 6.330 1.00 33.43 H new ATOM 0 HB3 ASP A 46 7.826 9.524 5.330 1.00 33.43 H new ATOM 810 N ILE A 47 6.000 9.863 2.572 1.00 72.42 N ATOM 811 CA ILE A 47 5.940 9.274 1.244 1.00 3.24 C ATOM 812 C ILE A 47 5.805 10.375 0.204 1.00 52.30 C ATOM 813 O ILE A 47 4.714 10.908 -0.010 1.00 73.40 O ATOM 814 CB ILE A 47 4.744 8.303 1.099 1.00 72.53 C ATOM 815 CG1 ILE A 47 4.738 7.267 2.225 1.00 34.52 C ATOM 816 CG2 ILE A 47 4.777 7.613 -0.260 1.00 34.40 C ATOM 817 CD1 ILE A 47 5.987 6.423 2.290 1.00 2.11 C ATOM 0 H ILE A 47 5.188 9.660 3.155 1.00 72.42 H new ATOM 0 HA ILE A 47 6.861 8.711 1.092 1.00 3.24 H new ATOM 0 HB ILE A 47 3.826 8.886 1.171 1.00 72.53 H new ATOM 0 HG12 ILE A 47 4.610 7.782 3.177 1.00 34.52 H new ATOM 0 HG13 ILE A 47 3.876 6.612 2.098 1.00 34.52 H new ATOM 0 HG21 ILE A 47 3.928 6.934 -0.344 1.00 34.40 H new ATOM 0 HG22 ILE A 47 4.722 8.362 -1.050 1.00 34.40 H new ATOM 0 HG23 ILE A 47 5.704 7.049 -0.359 1.00 34.40 H new ATOM 0 HD11 ILE A 47 5.905 5.714 3.114 1.00 2.11 H new ATOM 0 HD12 ILE A 47 6.107 5.879 1.353 1.00 2.11 H new ATOM 0 HD13 ILE A 47 6.853 7.066 2.450 1.00 2.11 H new ATOM 829 N LYS A 48 6.919 10.738 -0.409 1.00 44.24 N ATOM 830 CA LYS A 48 6.929 11.772 -1.428 1.00 33.14 C ATOM 831 C LYS A 48 6.016 11.356 -2.574 1.00 43.40 C ATOM 832 O LYS A 48 6.004 10.189 -2.964 1.00 24.13 O ATOM 833 CB LYS A 48 8.360 11.994 -1.924 1.00 64.34 C ATOM 834 CG LYS A 48 8.546 13.263 -2.734 1.00 13.14 C ATOM 835 CD LYS A 48 9.990 13.426 -3.177 1.00 64.22 C ATOM 836 CE LYS A 48 10.242 14.798 -3.779 1.00 22.53 C ATOM 837 NZ LYS A 48 10.066 15.884 -2.778 1.00 3.24 N ATOM 0 H LYS A 48 7.833 10.329 -0.217 1.00 44.24 H new ATOM 0 HA LYS A 48 6.562 12.710 -1.010 1.00 33.14 H new ATOM 0 HB2 LYS A 48 9.030 12.023 -1.065 1.00 64.34 H new ATOM 0 HB3 LYS A 48 8.658 11.140 -2.533 1.00 64.34 H new ATOM 0 HG2 LYS A 48 7.895 13.238 -3.608 1.00 13.14 H new ATOM 0 HG3 LYS A 48 8.246 14.125 -2.138 1.00 13.14 H new ATOM 0 HD2 LYS A 48 10.651 13.276 -2.324 1.00 64.22 H new ATOM 0 HD3 LYS A 48 10.235 12.657 -3.909 1.00 64.22 H new ATOM 0 HE2 LYS A 48 11.254 14.837 -4.183 1.00 22.53 H new ATOM 0 HE3 LYS A 48 9.559 14.959 -4.613 1.00 22.53 H new ATOM 0 HZ1 LYS A 48 10.529 16.750 -3.120 1.00 3.24 H new ATOM 0 HZ2 LYS A 48 9.052 16.066 -2.638 1.00 3.24 H new ATOM 0 HZ3 LYS A 48 10.494 15.596 -1.875 1.00 3.24 H new ATOM 851 N ARG A 49 5.245 12.296 -3.101 1.00 32.13 N ATOM 852 CA ARG A 49 4.279 11.980 -4.145 1.00 25.31 C ATOM 853 C ARG A 49 4.980 11.407 -5.370 1.00 14.41 C ATOM 854 O ARG A 49 4.523 10.432 -5.965 1.00 40.25 O ATOM 855 CB ARG A 49 3.462 13.211 -4.543 1.00 62.21 C ATOM 856 CG ARG A 49 2.310 13.543 -3.601 1.00 11.20 C ATOM 857 CD ARG A 49 2.740 14.385 -2.407 1.00 12.10 C ATOM 858 NE ARG A 49 3.277 13.589 -1.301 1.00 51.05 N ATOM 859 CZ ARG A 49 3.362 14.034 -0.044 1.00 73.34 C ATOM 860 NH1 ARG A 49 2.948 15.256 0.257 1.00 33.45 N ATOM 861 NH2 ARG A 49 3.869 13.263 0.910 1.00 63.23 N ATOM 0 H ARG A 49 5.268 13.278 -2.826 1.00 32.13 H new ATOM 0 HA ARG A 49 3.596 11.232 -3.742 1.00 25.31 H new ATOM 0 HB2 ARG A 49 4.129 14.071 -4.596 1.00 62.21 H new ATOM 0 HB3 ARG A 49 3.061 13.056 -5.545 1.00 62.21 H new ATOM 0 HG2 ARG A 49 1.537 14.076 -4.155 1.00 11.20 H new ATOM 0 HG3 ARG A 49 1.863 12.616 -3.242 1.00 11.20 H new ATOM 0 HD2 ARG A 49 3.495 15.102 -2.730 1.00 12.10 H new ATOM 0 HD3 ARG A 49 1.886 14.960 -2.050 1.00 12.10 H new ATOM 0 HE ARG A 49 3.604 12.644 -1.501 1.00 51.05 H new ATOM 0 HH11 ARG A 49 2.564 15.858 -0.471 1.00 33.45 H new ATOM 0 HH12 ARG A 49 3.013 15.595 1.217 1.00 33.45 H new ATOM 0 HH21 ARG A 49 4.197 12.324 0.686 1.00 63.23 H new ATOM 0 HH22 ARG A 49 3.931 13.610 1.867 1.00 63.23 H new ATOM 875 N THR A 50 6.100 12.013 -5.732 1.00 44.13 N ATOM 876 CA THR A 50 6.885 11.553 -6.865 1.00 44.45 C ATOM 877 C THR A 50 7.572 10.220 -6.550 1.00 22.02 C ATOM 878 O THR A 50 7.838 9.418 -7.444 1.00 65.41 O ATOM 879 CB THR A 50 7.933 12.607 -7.256 1.00 13.53 C ATOM 880 OG1 THR A 50 7.409 13.917 -6.986 1.00 44.22 O ATOM 881 CG2 THR A 50 8.279 12.496 -8.733 1.00 22.21 C ATOM 0 H THR A 50 6.486 12.828 -5.255 1.00 44.13 H new ATOM 0 HA THR A 50 6.207 11.401 -7.705 1.00 44.45 H new ATOM 0 HB THR A 50 8.838 12.438 -6.672 1.00 13.53 H new ATOM 0 HG1 THR A 50 8.075 14.593 -7.232 1.00 44.22 H new ATOM 0 HG21 THR A 50 9.022 13.251 -8.990 1.00 22.21 H new ATOM 0 HG22 THR A 50 8.682 11.504 -8.939 1.00 22.21 H new ATOM 0 HG23 THR A 50 7.381 12.653 -9.330 1.00 22.21 H new ATOM 889 N GLU A 51 7.851 9.989 -5.269 1.00 70.55 N ATOM 890 CA GLU A 51 8.430 8.723 -4.820 1.00 61.42 C ATOM 891 C GLU A 51 7.391 7.613 -4.931 1.00 51.13 C ATOM 892 O GLU A 51 7.704 6.477 -5.291 1.00 1.32 O ATOM 893 CB GLU A 51 8.905 8.843 -3.368 1.00 31.20 C ATOM 894 CG GLU A 51 9.602 7.603 -2.833 1.00 32.03 C ATOM 895 CD GLU A 51 10.964 7.382 -3.456 1.00 41.43 C ATOM 896 OE1 GLU A 51 11.899 8.129 -3.104 1.00 40.03 O ATOM 897 OE2 GLU A 51 11.105 6.471 -4.298 1.00 1.10 O ATOM 0 H GLU A 51 7.685 10.663 -4.522 1.00 70.55 H new ATOM 0 HA GLU A 51 9.285 8.483 -5.452 1.00 61.42 H new ATOM 0 HB2 GLU A 51 9.586 9.690 -3.290 1.00 31.20 H new ATOM 0 HB3 GLU A 51 8.046 9.065 -2.734 1.00 31.20 H new ATOM 0 HG2 GLU A 51 9.712 7.691 -1.752 1.00 32.03 H new ATOM 0 HG3 GLU A 51 8.976 6.731 -3.020 1.00 32.03 H new ATOM 904 N TYR A 52 6.150 7.958 -4.615 1.00 74.23 N ATOM 905 CA TYR A 52 5.038 7.031 -4.742 1.00 21.24 C ATOM 906 C TYR A 52 4.819 6.681 -6.209 1.00 41.42 C ATOM 907 O TYR A 52 4.492 5.543 -6.546 1.00 63.24 O ATOM 908 CB TYR A 52 3.769 7.633 -4.133 1.00 52.11 C ATOM 909 CG TYR A 52 2.585 6.695 -4.169 1.00 5.10 C ATOM 910 CD1 TYR A 52 2.607 5.500 -3.464 1.00 60.14 C ATOM 911 CD2 TYR A 52 1.451 7.003 -4.908 1.00 14.11 C ATOM 912 CE1 TYR A 52 1.533 4.635 -3.497 1.00 61.04 C ATOM 913 CE2 TYR A 52 0.372 6.143 -4.942 1.00 3.02 C ATOM 914 CZ TYR A 52 0.419 4.960 -4.237 1.00 32.14 C ATOM 915 OH TYR A 52 -0.651 4.099 -4.271 1.00 54.11 O ATOM 0 H TYR A 52 5.889 8.880 -4.267 1.00 74.23 H new ATOM 0 HA TYR A 52 5.275 6.117 -4.197 1.00 21.24 H new ATOM 0 HB2 TYR A 52 3.969 7.915 -3.099 1.00 52.11 H new ATOM 0 HB3 TYR A 52 3.516 8.547 -4.669 1.00 52.11 H new ATOM 0 HD1 TYR A 52 3.479 5.243 -2.880 1.00 60.14 H new ATOM 0 HD2 TYR A 52 1.413 7.928 -5.464 1.00 14.11 H new ATOM 0 HE1 TYR A 52 1.566 3.707 -2.945 1.00 61.04 H new ATOM 0 HE2 TYR A 52 -0.505 6.396 -5.519 1.00 3.02 H new ATOM 0 HH TYR A 52 -1.402 4.491 -3.778 1.00 54.11 H new ATOM 925 N GLN A 53 5.004 7.677 -7.073 1.00 32.23 N ATOM 926 CA GLN A 53 5.007 7.462 -8.516 1.00 51.34 C ATOM 927 C GLN A 53 6.028 6.390 -8.882 1.00 34.43 C ATOM 928 O GLN A 53 5.687 5.375 -9.476 1.00 1.43 O ATOM 929 CB GLN A 53 5.331 8.776 -9.232 1.00 62.20 C ATOM 930 CG GLN A 53 5.689 8.632 -10.706 1.00 0.23 C ATOM 931 CD GLN A 53 4.611 7.937 -11.511 1.00 51.40 C ATOM 932 OE1 GLN A 53 4.655 6.731 -11.733 1.00 50.52 O ATOM 933 NE2 GLN A 53 3.622 8.697 -11.918 1.00 62.24 N ATOM 0 H GLN A 53 5.155 8.647 -6.795 1.00 32.23 H new ATOM 0 HA GLN A 53 4.021 7.122 -8.832 1.00 51.34 H new ATOM 0 HB2 GLN A 53 4.472 9.442 -9.145 1.00 62.20 H new ATOM 0 HB3 GLN A 53 6.162 9.258 -8.717 1.00 62.20 H new ATOM 0 HG2 GLN A 53 5.870 9.620 -11.129 1.00 0.23 H new ATOM 0 HG3 GLN A 53 6.620 8.072 -10.795 1.00 0.23 H new ATOM 0 HE21 GLN A 53 3.627 9.696 -11.710 1.00 62.24 H new ATOM 0 HE22 GLN A 53 2.848 8.289 -12.442 1.00 62.24 H new ATOM 942 N LYS A 54 7.274 6.629 -8.500 1.00 73.43 N ATOM 943 CA LYS A 54 8.362 5.670 -8.720 1.00 60.52 C ATOM 944 C LYS A 54 7.997 4.274 -8.206 1.00 32.54 C ATOM 945 O LYS A 54 8.316 3.268 -8.842 1.00 54.31 O ATOM 946 CB LYS A 54 9.636 6.143 -8.017 1.00 41.10 C ATOM 947 CG LYS A 54 10.182 7.463 -8.533 1.00 75.54 C ATOM 948 CD LYS A 54 11.382 7.914 -7.714 1.00 23.51 C ATOM 949 CE LYS A 54 11.977 9.207 -8.247 1.00 64.22 C ATOM 950 NZ LYS A 54 12.482 9.055 -9.637 1.00 23.43 N ATOM 0 H LYS A 54 7.565 7.487 -8.031 1.00 73.43 H new ATOM 0 HA LYS A 54 8.530 5.611 -9.795 1.00 60.52 H new ATOM 0 HB2 LYS A 54 9.434 6.239 -6.950 1.00 41.10 H new ATOM 0 HB3 LYS A 54 10.404 5.377 -8.128 1.00 41.10 H new ATOM 0 HG2 LYS A 54 10.470 7.358 -9.579 1.00 75.54 H new ATOM 0 HG3 LYS A 54 9.403 8.224 -8.492 1.00 75.54 H new ATOM 0 HD2 LYS A 54 11.081 8.053 -6.676 1.00 23.51 H new ATOM 0 HD3 LYS A 54 12.142 7.133 -7.724 1.00 23.51 H new ATOM 0 HE2 LYS A 54 11.222 9.992 -8.219 1.00 64.22 H new ATOM 0 HE3 LYS A 54 12.792 9.526 -7.598 1.00 64.22 H new ATOM 0 HZ1 LYS A 54 13.070 9.876 -9.884 1.00 23.43 H new ATOM 0 HZ2 LYS A 54 13.052 8.188 -9.706 1.00 23.43 H new ATOM 0 HZ3 LYS A 54 11.678 8.994 -10.294 1.00 23.43 H new ATOM 964 N PHE A 55 7.331 4.223 -7.055 1.00 54.34 N ATOM 965 CA PHE A 55 6.902 2.956 -6.472 1.00 13.33 C ATOM 966 C PHE A 55 5.946 2.228 -7.412 1.00 11.20 C ATOM 967 O PHE A 55 6.145 1.054 -7.727 1.00 14.04 O ATOM 968 CB PHE A 55 6.234 3.193 -5.113 1.00 62.54 C ATOM 969 CG PHE A 55 5.670 1.947 -4.490 1.00 33.04 C ATOM 970 CD1 PHE A 55 6.509 0.929 -4.070 1.00 65.31 C ATOM 971 CD2 PHE A 55 4.302 1.795 -4.326 1.00 5.10 C ATOM 972 CE1 PHE A 55 5.993 -0.218 -3.499 1.00 5.21 C ATOM 973 CE2 PHE A 55 3.781 0.651 -3.755 1.00 34.35 C ATOM 974 CZ PHE A 55 4.628 -0.358 -3.340 1.00 20.31 C ATOM 0 H PHE A 55 7.077 5.045 -6.508 1.00 54.34 H new ATOM 0 HA PHE A 55 7.782 2.331 -6.324 1.00 13.33 H new ATOM 0 HB2 PHE A 55 6.963 3.631 -4.431 1.00 62.54 H new ATOM 0 HB3 PHE A 55 5.433 3.922 -5.234 1.00 62.54 H new ATOM 0 HD1 PHE A 55 7.577 1.033 -4.190 1.00 65.31 H new ATOM 0 HD2 PHE A 55 3.636 2.581 -4.649 1.00 5.10 H new ATOM 0 HE1 PHE A 55 6.657 -1.006 -3.177 1.00 5.21 H new ATOM 0 HE2 PHE A 55 2.713 0.545 -3.633 1.00 34.35 H new ATOM 0 HZ PHE A 55 4.224 -1.254 -2.892 1.00 20.31 H new ATOM 984 N LEU A 56 4.914 2.935 -7.859 1.00 55.33 N ATOM 985 CA LEU A 56 3.942 2.370 -8.787 1.00 51.15 C ATOM 986 C LEU A 56 4.599 2.076 -10.129 1.00 40.42 C ATOM 987 O LEU A 56 4.305 1.069 -10.770 1.00 43.21 O ATOM 988 CB LEU A 56 2.763 3.327 -8.988 1.00 73.35 C ATOM 989 CG LEU A 56 1.925 3.618 -7.742 1.00 63.42 C ATOM 990 CD1 LEU A 56 0.812 4.597 -8.075 1.00 40.32 C ATOM 991 CD2 LEU A 56 1.347 2.333 -7.169 1.00 71.43 C ATOM 0 H LEU A 56 4.729 3.902 -7.593 1.00 55.33 H new ATOM 0 HA LEU A 56 3.569 1.439 -8.360 1.00 51.15 H new ATOM 0 HB2 LEU A 56 3.147 4.271 -9.374 1.00 73.35 H new ATOM 0 HB3 LEU A 56 2.109 2.912 -9.755 1.00 73.35 H new ATOM 0 HG LEU A 56 2.573 4.066 -6.988 1.00 63.42 H new ATOM 0 HD11 LEU A 56 0.223 4.796 -7.180 1.00 40.32 H new ATOM 0 HD12 LEU A 56 1.244 5.529 -8.440 1.00 40.32 H new ATOM 0 HD13 LEU A 56 0.170 4.169 -8.845 1.00 40.32 H new ATOM 0 HD21 LEU A 56 0.755 2.564 -6.283 1.00 71.43 H new ATOM 0 HD22 LEU A 56 0.713 1.855 -7.915 1.00 71.43 H new ATOM 0 HD23 LEU A 56 2.159 1.658 -6.897 1.00 71.43 H new ATOM 1003 N ASN A 57 5.493 2.965 -10.536 1.00 33.44 N ATOM 1004 CA ASN A 57 6.209 2.844 -11.799 1.00 23.50 C ATOM 1005 C ASN A 57 6.900 1.487 -11.898 1.00 43.22 C ATOM 1006 O ASN A 57 6.694 0.743 -12.855 1.00 72.04 O ATOM 1007 CB ASN A 57 7.241 3.968 -11.913 1.00 54.35 C ATOM 1008 CG ASN A 57 7.632 4.266 -13.345 1.00 41.43 C ATOM 1009 OD1 ASN A 57 8.548 3.654 -13.898 1.00 10.21 O ATOM 1010 ND2 ASN A 57 6.947 5.227 -13.948 1.00 72.23 N ATOM 0 H ASN A 57 5.744 3.794 -9.998 1.00 33.44 H new ATOM 0 HA ASN A 57 5.494 2.925 -12.618 1.00 23.50 H new ATOM 0 HB2 ASN A 57 6.838 4.872 -11.456 1.00 54.35 H new ATOM 0 HB3 ASN A 57 8.132 3.695 -11.348 1.00 54.35 H new ATOM 0 HD21 ASN A 57 7.170 5.487 -14.909 1.00 72.23 H new ATOM 0 HD22 ASN A 57 6.196 5.707 -13.451 1.00 72.23 H new ATOM 1017 N GLU A 58 7.698 1.162 -10.884 1.00 52.04 N ATOM 1018 CA GLU A 58 8.414 -0.109 -10.844 1.00 2.33 C ATOM 1019 C GLU A 58 7.439 -1.280 -10.724 1.00 55.04 C ATOM 1020 O GLU A 58 7.609 -2.318 -11.370 1.00 32.33 O ATOM 1021 CB GLU A 58 9.395 -0.127 -9.668 1.00 55.42 C ATOM 1022 CG GLU A 58 10.174 -1.429 -9.538 1.00 35.22 C ATOM 1023 CD GLU A 58 11.087 -1.452 -8.330 1.00 21.05 C ATOM 1024 OE1 GLU A 58 12.143 -0.790 -8.361 1.00 51.34 O ATOM 1025 OE2 GLU A 58 10.755 -2.130 -7.334 1.00 71.14 O ATOM 0 H GLU A 58 7.865 1.763 -10.077 1.00 52.04 H new ATOM 0 HA GLU A 58 8.969 -0.215 -11.776 1.00 2.33 H new ATOM 0 HB2 GLU A 58 10.099 0.697 -9.782 1.00 55.42 H new ATOM 0 HB3 GLU A 58 8.844 0.050 -8.744 1.00 55.42 H new ATOM 0 HG2 GLU A 58 9.473 -2.261 -9.473 1.00 35.22 H new ATOM 0 HG3 GLU A 58 10.768 -1.583 -10.439 1.00 35.22 H new ATOM 1032 N TYR A 59 6.408 -1.099 -9.908 1.00 44.21 N ATOM 1033 CA TYR A 59 5.448 -2.160 -9.649 1.00 73.11 C ATOM 1034 C TYR A 59 4.658 -2.488 -10.915 1.00 43.04 C ATOM 1035 O TYR A 59 4.387 -3.657 -11.202 1.00 45.12 O ATOM 1036 CB TYR A 59 4.501 -1.753 -8.516 1.00 62.41 C ATOM 1037 CG TYR A 59 3.709 -2.905 -7.940 1.00 3.42 C ATOM 1038 CD1 TYR A 59 2.485 -3.277 -8.482 1.00 11.04 C ATOM 1039 CD2 TYR A 59 4.189 -3.624 -6.849 1.00 63.43 C ATOM 1040 CE1 TYR A 59 1.764 -4.331 -7.958 1.00 2.21 C ATOM 1041 CE2 TYR A 59 3.471 -4.678 -6.321 1.00 71.31 C ATOM 1042 CZ TYR A 59 2.262 -5.027 -6.878 1.00 43.21 C ATOM 1043 OH TYR A 59 1.549 -6.078 -6.356 1.00 43.23 O ATOM 0 H TYR A 59 6.217 -0.227 -9.415 1.00 44.21 H new ATOM 0 HA TYR A 59 5.992 -3.054 -9.343 1.00 73.11 H new ATOM 0 HB2 TYR A 59 5.082 -1.289 -7.719 1.00 62.41 H new ATOM 0 HB3 TYR A 59 3.808 -0.998 -8.887 1.00 62.41 H new ATOM 0 HD1 TYR A 59 2.091 -2.732 -9.327 1.00 11.04 H new ATOM 0 HD2 TYR A 59 5.137 -3.353 -6.409 1.00 63.43 H new ATOM 0 HE1 TYR A 59 0.815 -4.609 -8.392 1.00 2.21 H new ATOM 0 HE2 TYR A 59 3.856 -5.227 -5.474 1.00 71.31 H new ATOM 0 HH TYR A 59 2.039 -6.462 -5.599 1.00 43.23 H new ATOM 1053 N GLY A 60 4.314 -1.453 -11.675 1.00 55.15 N ATOM 1054 CA GLY A 60 3.559 -1.634 -12.903 1.00 34.31 C ATOM 1055 C GLY A 60 4.411 -2.161 -14.041 1.00 43.35 C ATOM 1056 O GLY A 60 3.888 -2.629 -15.051 1.00 13.12 O ATOM 0 H GLY A 60 4.547 -0.484 -11.460 1.00 55.15 H new ATOM 0 HA2 GLY A 60 2.736 -2.325 -12.720 1.00 34.31 H new ATOM 0 HA3 GLY A 60 3.117 -0.682 -13.196 1.00 34.31 H new ATOM 1060 N LEU A 61 5.724 -2.080 -13.885 1.00 75.23 N ATOM 1061 CA LEU A 61 6.641 -2.619 -14.880 1.00 71.40 C ATOM 1062 C LEU A 61 6.870 -4.104 -14.646 1.00 31.40 C ATOM 1063 O LEU A 61 7.410 -4.799 -15.505 1.00 21.02 O ATOM 1064 CB LEU A 61 7.984 -1.884 -14.842 1.00 63.24 C ATOM 1065 CG LEU A 61 7.954 -0.433 -15.323 1.00 71.13 C ATOM 1066 CD1 LEU A 61 9.334 0.195 -15.198 1.00 54.51 C ATOM 1067 CD2 LEU A 61 7.459 -0.360 -16.760 1.00 10.30 C ATOM 0 H LEU A 61 6.178 -1.647 -13.081 1.00 75.23 H new ATOM 0 HA LEU A 61 6.188 -2.475 -15.861 1.00 71.40 H new ATOM 0 HB2 LEU A 61 8.359 -1.902 -13.819 1.00 63.24 H new ATOM 0 HB3 LEU A 61 8.698 -2.436 -15.453 1.00 63.24 H new ATOM 0 HG LEU A 61 7.263 0.128 -14.694 1.00 71.13 H new ATOM 0 HD11 LEU A 61 9.296 1.228 -15.544 1.00 54.51 H new ATOM 0 HD12 LEU A 61 9.651 0.173 -14.155 1.00 54.51 H new ATOM 0 HD13 LEU A 61 10.045 -0.365 -15.805 1.00 54.51 H new ATOM 0 HD21 LEU A 61 7.444 0.680 -17.087 1.00 10.30 H new ATOM 0 HD22 LEU A 61 8.126 -0.933 -17.404 1.00 10.30 H new ATOM 0 HD23 LEU A 61 6.452 -0.774 -16.820 1.00 10.30 H new ATOM 1079 N THR A 62 6.457 -4.587 -13.482 1.00 12.45 N ATOM 1080 CA THR A 62 6.702 -5.969 -13.101 1.00 35.00 C ATOM 1081 C THR A 62 5.406 -6.725 -12.816 1.00 44.44 C ATOM 1082 O THR A 62 5.429 -7.911 -12.485 1.00 74.04 O ATOM 1083 CB THR A 62 7.613 -6.030 -11.861 1.00 2.42 C ATOM 1084 OG1 THR A 62 7.165 -5.081 -10.881 1.00 21.35 O ATOM 1085 CG2 THR A 62 9.059 -5.739 -12.231 1.00 73.44 C ATOM 0 H THR A 62 5.950 -4.041 -12.785 1.00 12.45 H new ATOM 0 HA THR A 62 7.195 -6.450 -13.946 1.00 35.00 H new ATOM 0 HB THR A 62 7.560 -7.037 -11.448 1.00 2.42 H new ATOM 0 HG1 THR A 62 6.314 -5.382 -10.500 1.00 21.35 H new ATOM 0 HG21 THR A 62 9.680 -5.789 -11.337 1.00 73.44 H new ATOM 0 HG22 THR A 62 9.405 -6.477 -12.955 1.00 73.44 H new ATOM 0 HG23 THR A 62 9.130 -4.742 -12.667 1.00 73.44 H new ATOM 1093 N HIS A 63 4.273 -6.042 -12.940 1.00 35.24 N ATOM 1094 CA HIS A 63 2.981 -6.646 -12.624 1.00 22.01 C ATOM 1095 C HIS A 63 1.911 -6.161 -13.593 1.00 34.14 C ATOM 1096 O HIS A 63 2.134 -5.218 -14.350 1.00 3.02 O ATOM 1097 CB HIS A 63 2.560 -6.316 -11.187 1.00 42.12 C ATOM 1098 CG HIS A 63 3.466 -6.898 -10.147 1.00 61.15 C ATOM 1099 ND1 HIS A 63 4.595 -6.255 -9.692 1.00 42.54 N ATOM 1100 CD2 HIS A 63 3.411 -8.073 -9.482 1.00 22.30 C ATOM 1101 CE1 HIS A 63 5.196 -7.013 -8.795 1.00 51.43 C ATOM 1102 NE2 HIS A 63 4.499 -8.124 -8.645 1.00 13.12 N ATOM 0 H HIS A 63 4.221 -5.073 -13.256 1.00 35.24 H new ATOM 0 HA HIS A 63 3.087 -7.727 -12.720 1.00 22.01 H new ATOM 0 HB2 HIS A 63 2.530 -5.233 -11.066 1.00 42.12 H new ATOM 0 HB3 HIS A 63 1.547 -6.683 -11.021 1.00 42.12 H new ATOM 0 HD2 HIS A 63 2.651 -8.833 -9.589 1.00 22.30 H new ATOM 0 HE1 HIS A 63 6.107 -6.766 -8.270 1.00 51.43 H new ATOM 0 HE2 HIS A 63 4.730 -8.891 -8.014 1.00 13.12 H new ATOM 1111 N SER A 64 0.754 -6.805 -13.562 1.00 65.03 N ATOM 1112 CA SER A 64 -0.354 -6.423 -14.423 1.00 1.31 C ATOM 1113 C SER A 64 -1.136 -5.250 -13.830 1.00 65.32 C ATOM 1114 O SER A 64 -0.896 -4.842 -12.690 1.00 52.15 O ATOM 1115 CB SER A 64 -1.269 -7.629 -14.657 1.00 33.43 C ATOM 1116 OG SER A 64 -1.490 -8.351 -13.455 1.00 23.31 O ATOM 0 H SER A 64 0.558 -7.596 -12.948 1.00 65.03 H new ATOM 0 HA SER A 64 0.048 -6.095 -15.382 1.00 1.31 H new ATOM 0 HB2 SER A 64 -2.223 -7.291 -15.061 1.00 33.43 H new ATOM 0 HB3 SER A 64 -0.823 -8.287 -15.402 1.00 33.43 H new ATOM 0 HG SER A 64 -1.408 -7.745 -12.689 1.00 23.31 H new ATOM 1122 N TYR A 65 -2.080 -4.724 -14.607 1.00 41.32 N ATOM 1123 CA TYR A 65 -2.844 -3.546 -14.213 1.00 4.45 C ATOM 1124 C TYR A 65 -3.643 -3.792 -12.937 1.00 44.54 C ATOM 1125 O TYR A 65 -3.620 -2.974 -12.022 1.00 12.43 O ATOM 1126 CB TYR A 65 -3.782 -3.120 -15.346 1.00 43.14 C ATOM 1127 CG TYR A 65 -4.782 -2.062 -14.938 1.00 13.20 C ATOM 1128 CD1 TYR A 65 -4.392 -0.743 -14.761 1.00 15.42 C ATOM 1129 CD2 TYR A 65 -6.115 -2.389 -14.724 1.00 21.40 C ATOM 1130 CE1 TYR A 65 -5.301 0.224 -14.381 1.00 74.23 C ATOM 1131 CE2 TYR A 65 -7.030 -1.429 -14.344 1.00 60.43 C ATOM 1132 CZ TYR A 65 -6.620 -0.125 -14.174 1.00 13.05 C ATOM 1133 OH TYR A 65 -7.530 0.835 -13.795 1.00 61.22 O ATOM 0 H TYR A 65 -2.335 -5.100 -15.520 1.00 41.32 H new ATOM 0 HA TYR A 65 -2.133 -2.744 -14.012 1.00 4.45 H new ATOM 0 HB2 TYR A 65 -3.186 -2.744 -16.178 1.00 43.14 H new ATOM 0 HB3 TYR A 65 -4.320 -3.995 -15.710 1.00 43.14 H new ATOM 0 HD1 TYR A 65 -3.360 -0.468 -14.923 1.00 15.42 H new ATOM 0 HD2 TYR A 65 -6.440 -3.410 -14.857 1.00 21.40 H new ATOM 0 HE1 TYR A 65 -4.982 1.247 -14.247 1.00 74.23 H new ATOM 0 HE2 TYR A 65 -8.063 -1.699 -14.181 1.00 60.43 H new ATOM 0 HH TYR A 65 -8.414 0.425 -13.692 1.00 61.22 H new ATOM 1143 N GLU A 66 -4.347 -4.911 -12.878 1.00 34.30 N ATOM 1144 CA GLU A 66 -5.165 -5.234 -11.714 1.00 5.51 C ATOM 1145 C GLU A 66 -4.330 -5.328 -10.448 1.00 74.41 C ATOM 1146 O GLU A 66 -4.789 -4.959 -9.370 1.00 43.05 O ATOM 1147 CB GLU A 66 -5.925 -6.536 -11.946 1.00 10.42 C ATOM 1148 CG GLU A 66 -7.191 -6.338 -12.752 1.00 53.45 C ATOM 1149 CD GLU A 66 -8.303 -5.720 -11.934 1.00 75.12 C ATOM 1150 OE1 GLU A 66 -9.072 -6.474 -11.303 1.00 4.54 O ATOM 1151 OE2 GLU A 66 -8.412 -4.483 -11.907 1.00 13.14 O ATOM 0 H GLU A 66 -4.370 -5.611 -13.619 1.00 34.30 H new ATOM 0 HA GLU A 66 -5.880 -4.423 -11.578 1.00 5.51 H new ATOM 0 HB2 GLU A 66 -5.277 -7.243 -12.463 1.00 10.42 H new ATOM 0 HB3 GLU A 66 -6.178 -6.981 -10.984 1.00 10.42 H new ATOM 0 HG2 GLU A 66 -6.977 -5.700 -13.610 1.00 53.45 H new ATOM 0 HG3 GLU A 66 -7.523 -7.299 -13.144 1.00 53.45 H new ATOM 1158 N THR A 67 -3.101 -5.797 -10.580 1.00 24.02 N ATOM 1159 CA THR A 67 -2.226 -5.957 -9.434 1.00 53.01 C ATOM 1160 C THR A 67 -1.858 -4.597 -8.842 1.00 73.13 C ATOM 1161 O THR A 67 -1.961 -4.385 -7.633 1.00 40.12 O ATOM 1162 CB THR A 67 -0.946 -6.707 -9.831 1.00 15.34 C ATOM 1163 OG1 THR A 67 -1.247 -7.649 -10.871 1.00 60.53 O ATOM 1164 CG2 THR A 67 -0.354 -7.444 -8.638 1.00 0.03 C ATOM 0 H THR A 67 -2.687 -6.073 -11.470 1.00 24.02 H new ATOM 0 HA THR A 67 -2.761 -6.538 -8.683 1.00 53.01 H new ATOM 0 HB THR A 67 -0.216 -5.979 -10.185 1.00 15.34 H new ATOM 0 HG1 THR A 67 -0.430 -8.127 -11.126 1.00 60.53 H new ATOM 0 HG21 THR A 67 0.551 -7.967 -8.946 1.00 0.03 H new ATOM 0 HG22 THR A 67 -0.110 -6.728 -7.853 1.00 0.03 H new ATOM 0 HG23 THR A 67 -1.079 -8.165 -8.260 1.00 0.03 H new ATOM 1172 N ILE A 68 -1.445 -3.673 -9.704 1.00 63.31 N ATOM 1173 CA ILE A 68 -1.074 -2.337 -9.258 1.00 41.10 C ATOM 1174 C ILE A 68 -2.323 -1.540 -8.862 1.00 44.33 C ATOM 1175 O ILE A 68 -2.289 -0.731 -7.932 1.00 60.22 O ATOM 1176 CB ILE A 68 -0.247 -1.577 -10.331 1.00 65.32 C ATOM 1177 CG1 ILE A 68 0.192 -0.206 -9.805 1.00 62.41 C ATOM 1178 CG2 ILE A 68 -1.026 -1.424 -11.632 1.00 33.22 C ATOM 1179 CD1 ILE A 68 1.020 0.594 -10.791 1.00 23.24 C ATOM 0 H ILE A 68 -1.360 -3.824 -10.709 1.00 63.31 H new ATOM 0 HA ILE A 68 -0.437 -2.446 -8.381 1.00 41.10 H new ATOM 0 HB ILE A 68 0.642 -2.171 -10.543 1.00 65.32 H new ATOM 0 HG12 ILE A 68 -0.694 0.370 -9.538 1.00 62.41 H new ATOM 0 HG13 ILE A 68 0.769 -0.346 -8.891 1.00 62.41 H new ATOM 0 HG21 ILE A 68 -0.417 -0.888 -12.360 1.00 33.22 H new ATOM 0 HG22 ILE A 68 -1.276 -2.410 -12.024 1.00 33.22 H new ATOM 0 HG23 ILE A 68 -1.943 -0.865 -11.444 1.00 33.22 H new ATOM 0 HD11 ILE A 68 1.292 1.551 -10.346 1.00 23.24 H new ATOM 0 HD12 ILE A 68 1.925 0.040 -11.040 1.00 23.24 H new ATOM 0 HD13 ILE A 68 0.440 0.767 -11.697 1.00 23.24 H new ATOM 1191 N ARG A 69 -3.422 -1.790 -9.568 1.00 1.14 N ATOM 1192 CA ARG A 69 -4.709 -1.174 -9.256 1.00 20.04 C ATOM 1193 C ARG A 69 -5.157 -1.564 -7.853 1.00 45.42 C ATOM 1194 O ARG A 69 -5.517 -0.707 -7.048 1.00 75.34 O ATOM 1195 CB ARG A 69 -5.755 -1.616 -10.280 1.00 3.13 C ATOM 1196 CG ARG A 69 -7.145 -1.054 -10.037 1.00 55.23 C ATOM 1197 CD ARG A 69 -8.132 -1.634 -11.030 1.00 21.35 C ATOM 1198 NE ARG A 69 -9.471 -1.069 -10.895 1.00 62.43 N ATOM 1199 CZ ARG A 69 -10.562 -1.629 -11.416 1.00 2.02 C ATOM 1200 NH1 ARG A 69 -10.486 -2.814 -12.011 1.00 32.33 N ATOM 1201 NH2 ARG A 69 -11.734 -1.015 -11.324 1.00 44.22 N ATOM 0 H ARG A 69 -3.447 -2.422 -10.368 1.00 1.14 H new ATOM 0 HA ARG A 69 -4.600 -0.090 -9.298 1.00 20.04 H new ATOM 0 HB2 ARG A 69 -5.423 -1.315 -11.274 1.00 3.13 H new ATOM 0 HB3 ARG A 69 -5.811 -2.705 -10.278 1.00 3.13 H new ATOM 0 HG2 ARG A 69 -7.464 -1.284 -9.021 1.00 55.23 H new ATOM 0 HG3 ARG A 69 -7.126 0.032 -10.127 1.00 55.23 H new ATOM 0 HD2 ARG A 69 -7.768 -1.456 -12.042 1.00 21.35 H new ATOM 0 HD3 ARG A 69 -8.184 -2.714 -10.895 1.00 21.35 H new ATOM 0 HE ARG A 69 -9.577 -0.199 -10.374 1.00 62.43 H new ATOM 0 HH11 ARG A 69 -9.590 -3.298 -12.070 1.00 32.33 H new ATOM 0 HH12 ARG A 69 -11.323 -3.240 -12.409 1.00 32.33 H new ATOM 0 HH21 ARG A 69 -11.801 -0.112 -10.854 1.00 44.22 H new ATOM 0 HH22 ARG A 69 -12.568 -1.445 -11.724 1.00 44.22 H new ATOM 1215 N LYS A 70 -5.130 -2.865 -7.572 1.00 62.35 N ATOM 1216 CA LYS A 70 -5.465 -3.375 -6.245 1.00 63.43 C ATOM 1217 C LYS A 70 -4.550 -2.767 -5.186 1.00 43.23 C ATOM 1218 O LYS A 70 -5.018 -2.288 -4.152 1.00 44.43 O ATOM 1219 CB LYS A 70 -5.363 -4.904 -6.220 1.00 63.15 C ATOM 1220 CG LYS A 70 -6.696 -5.622 -6.405 1.00 73.52 C ATOM 1221 CD LYS A 70 -7.394 -5.244 -7.706 1.00 5.14 C ATOM 1222 CE LYS A 70 -8.731 -5.954 -7.825 1.00 61.43 C ATOM 1223 NZ LYS A 70 -9.584 -5.387 -8.904 1.00 61.15 N ATOM 0 H LYS A 70 -4.879 -3.587 -8.248 1.00 62.35 H new ATOM 0 HA LYS A 70 -6.492 -3.088 -6.018 1.00 63.43 H new ATOM 0 HB2 LYS A 70 -4.678 -5.224 -7.005 1.00 63.15 H new ATOM 0 HB3 LYS A 70 -4.926 -5.212 -5.270 1.00 63.15 H new ATOM 0 HG2 LYS A 70 -6.529 -6.699 -6.387 1.00 73.52 H new ATOM 0 HG3 LYS A 70 -7.350 -5.387 -5.565 1.00 73.52 H new ATOM 0 HD2 LYS A 70 -7.545 -4.165 -7.743 1.00 5.14 H new ATOM 0 HD3 LYS A 70 -6.761 -5.506 -8.554 1.00 5.14 H new ATOM 0 HE2 LYS A 70 -8.560 -7.013 -8.020 1.00 61.43 H new ATOM 0 HE3 LYS A 70 -9.260 -5.886 -6.875 1.00 61.43 H new ATOM 0 HZ1 LYS A 70 -10.569 -5.333 -8.575 1.00 61.15 H new ATOM 0 HZ2 LYS A 70 -9.247 -4.434 -9.148 1.00 61.15 H new ATOM 0 HZ3 LYS A 70 -9.532 -5.998 -9.744 1.00 61.15 H new ATOM 1237 N LEU A 71 -3.250 -2.777 -5.462 1.00 62.52 N ATOM 1238 CA LEU A 71 -2.255 -2.185 -4.571 1.00 40.44 C ATOM 1239 C LEU A 71 -2.608 -0.738 -4.237 1.00 44.41 C ATOM 1240 O LEU A 71 -2.720 -0.362 -3.068 1.00 20.13 O ATOM 1241 CB LEU A 71 -0.875 -2.244 -5.234 1.00 33.20 C ATOM 1242 CG LEU A 71 0.224 -1.428 -4.550 1.00 42.43 C ATOM 1243 CD1 LEU A 71 0.565 -2.008 -3.188 1.00 61.03 C ATOM 1244 CD2 LEU A 71 1.458 -1.359 -5.433 1.00 52.24 C ATOM 0 H LEU A 71 -2.856 -3.194 -6.306 1.00 62.52 H new ATOM 0 HA LEU A 71 -2.242 -2.754 -3.641 1.00 40.44 H new ATOM 0 HB2 LEU A 71 -0.556 -3.286 -5.276 1.00 33.20 H new ATOM 0 HB3 LEU A 71 -0.971 -1.899 -6.263 1.00 33.20 H new ATOM 0 HG LEU A 71 -0.147 -0.415 -4.396 1.00 42.43 H new ATOM 0 HD11 LEU A 71 1.349 -1.409 -2.723 1.00 61.03 H new ATOM 0 HD12 LEU A 71 -0.323 -1.998 -2.556 1.00 61.03 H new ATOM 0 HD13 LEU A 71 0.914 -3.034 -3.306 1.00 61.03 H new ATOM 0 HD21 LEU A 71 2.231 -0.775 -4.933 1.00 52.24 H new ATOM 0 HD22 LEU A 71 1.828 -2.367 -5.620 1.00 52.24 H new ATOM 0 HD23 LEU A 71 1.201 -0.885 -6.380 1.00 52.24 H new ATOM 1256 N ASN A 72 -2.794 0.059 -5.276 1.00 45.13 N ATOM 1257 CA ASN A 72 -3.100 1.476 -5.121 1.00 74.01 C ATOM 1258 C ASN A 72 -4.430 1.678 -4.396 1.00 4.11 C ATOM 1259 O ASN A 72 -4.584 2.629 -3.629 1.00 43.20 O ATOM 1260 CB ASN A 72 -3.107 2.152 -6.497 1.00 41.24 C ATOM 1261 CG ASN A 72 -3.552 3.600 -6.451 1.00 71.54 C ATOM 1262 OD1 ASN A 72 -4.707 3.911 -6.714 1.00 21.51 O ATOM 1263 ND2 ASN A 72 -2.644 4.496 -6.105 1.00 24.14 N ATOM 0 H ASN A 72 -2.738 -0.253 -6.246 1.00 45.13 H new ATOM 0 HA ASN A 72 -2.328 1.939 -4.506 1.00 74.01 H new ATOM 0 HB2 ASN A 72 -2.106 2.100 -6.925 1.00 41.24 H new ATOM 0 HB3 ASN A 72 -3.767 1.597 -7.163 1.00 41.24 H new ATOM 0 HD21 ASN A 72 -2.896 5.483 -6.050 1.00 24.14 H new ATOM 0 HD22 ASN A 72 -1.691 4.201 -5.893 1.00 24.14 H new ATOM 1270 N SER A 73 -5.371 0.768 -4.622 1.00 73.24 N ATOM 1271 CA SER A 73 -6.669 0.811 -3.952 1.00 71.10 C ATOM 1272 C SER A 73 -6.508 0.693 -2.434 1.00 1.34 C ATOM 1273 O SER A 73 -7.080 1.482 -1.676 1.00 73.14 O ATOM 1274 CB SER A 73 -7.572 -0.311 -4.483 1.00 55.52 C ATOM 1275 OG SER A 73 -8.799 -0.384 -3.772 1.00 32.44 O ATOM 0 H SER A 73 -5.259 -0.014 -5.268 1.00 73.24 H new ATOM 0 HA SER A 73 -7.134 1.773 -4.167 1.00 71.10 H new ATOM 0 HB2 SER A 73 -7.775 -0.144 -5.541 1.00 55.52 H new ATOM 0 HB3 SER A 73 -7.050 -1.265 -4.405 1.00 55.52 H new ATOM 0 HG SER A 73 -9.347 -1.108 -4.139 1.00 32.44 H new ATOM 1281 N TYR A 74 -5.715 -0.281 -1.993 1.00 60.32 N ATOM 1282 CA TYR A 74 -5.491 -0.495 -0.565 1.00 31.02 C ATOM 1283 C TYR A 74 -4.836 0.732 0.051 1.00 24.54 C ATOM 1284 O TYR A 74 -5.218 1.178 1.131 1.00 30.00 O ATOM 1285 CB TYR A 74 -4.597 -1.715 -0.321 1.00 25.21 C ATOM 1286 CG TYR A 74 -5.047 -2.977 -1.021 1.00 4.12 C ATOM 1287 CD1 TYR A 74 -6.392 -3.315 -1.109 1.00 73.33 C ATOM 1288 CD2 TYR A 74 -4.117 -3.838 -1.590 1.00 62.35 C ATOM 1289 CE1 TYR A 74 -6.795 -4.473 -1.747 1.00 61.21 C ATOM 1290 CE2 TYR A 74 -4.512 -4.996 -2.228 1.00 13.25 C ATOM 1291 CZ TYR A 74 -5.852 -5.309 -2.305 1.00 41.22 C ATOM 1292 OH TYR A 74 -6.250 -6.458 -2.944 1.00 61.24 O ATOM 0 H TYR A 74 -5.219 -0.932 -2.601 1.00 60.32 H new ATOM 0 HA TYR A 74 -6.461 -0.672 -0.100 1.00 31.02 H new ATOM 0 HB2 TYR A 74 -3.584 -1.477 -0.646 1.00 25.21 H new ATOM 0 HB3 TYR A 74 -4.551 -1.907 0.751 1.00 25.21 H new ATOM 0 HD1 TYR A 74 -7.134 -2.663 -0.672 1.00 73.33 H new ATOM 0 HD2 TYR A 74 -3.066 -3.597 -1.532 1.00 62.35 H new ATOM 0 HE1 TYR A 74 -7.844 -4.722 -1.808 1.00 61.21 H new ATOM 0 HE2 TYR A 74 -3.775 -5.654 -2.665 1.00 13.25 H new ATOM 0 HH TYR A 74 -5.463 -6.934 -3.282 1.00 61.24 H new ATOM 1302 N ILE A 75 -3.856 1.274 -0.661 1.00 52.30 N ATOM 1303 CA ILE A 75 -3.119 2.440 -0.199 1.00 63.11 C ATOM 1304 C ILE A 75 -4.041 3.653 -0.062 1.00 63.33 C ATOM 1305 O ILE A 75 -3.956 4.392 0.920 1.00 43.44 O ATOM 1306 CB ILE A 75 -1.939 2.757 -1.144 1.00 11.43 C ATOM 1307 CG1 ILE A 75 -0.959 1.579 -1.143 1.00 33.40 C ATOM 1308 CG2 ILE A 75 -1.239 4.047 -0.731 1.00 31.00 C ATOM 1309 CD1 ILE A 75 0.196 1.735 -2.106 1.00 44.33 C ATOM 0 H ILE A 75 -3.552 0.920 -1.568 1.00 52.30 H new ATOM 0 HA ILE A 75 -2.714 2.209 0.786 1.00 63.11 H new ATOM 0 HB ILE A 75 -2.322 2.903 -2.154 1.00 11.43 H new ATOM 0 HG12 ILE A 75 -0.563 1.451 -0.136 1.00 33.40 H new ATOM 0 HG13 ILE A 75 -1.503 0.667 -1.390 1.00 33.40 H new ATOM 0 HG21 ILE A 75 -0.412 4.247 -1.413 1.00 31.00 H new ATOM 0 HG22 ILE A 75 -1.948 4.874 -0.769 1.00 31.00 H new ATOM 0 HG23 ILE A 75 -0.855 3.944 0.284 1.00 31.00 H new ATOM 0 HD11 ILE A 75 0.842 0.860 -2.044 1.00 44.33 H new ATOM 0 HD12 ILE A 75 -0.188 1.831 -3.122 1.00 44.33 H new ATOM 0 HD13 ILE A 75 0.767 2.627 -1.848 1.00 44.33 H new ATOM 1321 N ARG A 76 -4.933 3.843 -1.033 1.00 3.40 N ATOM 1322 CA ARG A 76 -5.911 4.927 -0.961 1.00 24.31 C ATOM 1323 C ARG A 76 -6.780 4.778 0.282 1.00 13.42 C ATOM 1324 O ARG A 76 -6.962 5.727 1.041 1.00 13.41 O ATOM 1325 CB ARG A 76 -6.822 4.948 -2.192 1.00 5.30 C ATOM 1326 CG ARG A 76 -6.126 5.303 -3.493 1.00 71.14 C ATOM 1327 CD ARG A 76 -7.135 5.464 -4.618 1.00 13.35 C ATOM 1328 NE ARG A 76 -6.495 5.665 -5.917 1.00 15.44 N ATOM 1329 CZ ARG A 76 -6.967 6.470 -6.866 1.00 54.25 C ATOM 1330 NH1 ARG A 76 -8.085 7.160 -6.664 1.00 2.52 N ATOM 1331 NH2 ARG A 76 -6.327 6.569 -8.026 1.00 43.33 N ATOM 0 H ARG A 76 -4.999 3.266 -1.872 1.00 3.40 H new ATOM 0 HA ARG A 76 -5.350 5.861 -0.919 1.00 24.31 H new ATOM 0 HB2 ARG A 76 -7.286 3.967 -2.300 1.00 5.30 H new ATOM 0 HB3 ARG A 76 -7.626 5.663 -2.019 1.00 5.30 H new ATOM 0 HG2 ARG A 76 -5.562 6.228 -3.369 1.00 71.14 H new ATOM 0 HG3 ARG A 76 -5.408 4.524 -3.751 1.00 71.14 H new ATOM 0 HD2 ARG A 76 -7.770 4.579 -4.662 1.00 13.35 H new ATOM 0 HD3 ARG A 76 -7.785 6.312 -4.401 1.00 13.35 H new ATOM 0 HE ARG A 76 -5.632 5.156 -6.108 1.00 15.44 H new ATOM 0 HH11 ARG A 76 -8.585 7.074 -5.779 1.00 2.52 H new ATOM 0 HH12 ARG A 76 -8.443 7.776 -7.394 1.00 2.52 H new ATOM 0 HH21 ARG A 76 -5.477 6.029 -8.187 1.00 43.33 H new ATOM 0 HH22 ARG A 76 -6.686 7.185 -8.756 1.00 43.33 H new ATOM 1345 N ASN A 77 -7.296 3.571 0.487 1.00 1.14 N ATOM 1346 CA ASN A 77 -8.228 3.303 1.577 1.00 54.11 C ATOM 1347 C ASN A 77 -7.539 3.447 2.931 1.00 44.31 C ATOM 1348 O ASN A 77 -8.140 3.923 3.894 1.00 24.21 O ATOM 1349 CB ASN A 77 -8.831 1.901 1.423 1.00 12.42 C ATOM 1350 CG ASN A 77 -9.991 1.649 2.367 1.00 12.01 C ATOM 1351 OD1 ASN A 77 -10.246 0.514 2.768 1.00 23.23 O ATOM 1352 ND2 ASN A 77 -10.715 2.698 2.712 1.00 42.43 N ATOM 0 H ASN A 77 -7.083 2.758 -0.091 1.00 1.14 H new ATOM 0 HA ASN A 77 -9.033 4.037 1.531 1.00 54.11 H new ATOM 0 HB2 ASN A 77 -9.170 1.768 0.396 1.00 12.42 H new ATOM 0 HB3 ASN A 77 -8.056 1.156 1.602 1.00 12.42 H new ATOM 0 HD21 ASN A 77 -11.517 2.583 3.332 1.00 42.43 H new ATOM 0 HD22 ASN A 77 -10.472 3.624 2.359 1.00 42.43 H new ATOM 1359 N ALA A 78 -6.274 3.048 2.995 1.00 1.44 N ATOM 1360 CA ALA A 78 -5.491 3.193 4.214 1.00 71.34 C ATOM 1361 C ALA A 78 -5.370 4.662 4.599 1.00 74.13 C ATOM 1362 O ALA A 78 -5.497 5.024 5.771 1.00 60.42 O ATOM 1363 CB ALA A 78 -4.115 2.571 4.039 1.00 35.22 C ATOM 0 H ALA A 78 -5.770 2.622 2.217 1.00 1.44 H new ATOM 0 HA ALA A 78 -6.005 2.669 5.019 1.00 71.34 H new ATOM 0 HB1 ALA A 78 -3.543 2.688 4.959 1.00 35.22 H new ATOM 0 HB2 ALA A 78 -4.221 1.511 3.811 1.00 35.22 H new ATOM 0 HB3 ALA A 78 -3.593 3.068 3.221 1.00 35.22 H new ATOM 1369 N PHE A 79 -5.143 5.506 3.601 1.00 52.01 N ATOM 1370 CA PHE A 79 -5.047 6.940 3.822 1.00 14.35 C ATOM 1371 C PHE A 79 -6.417 7.550 4.084 1.00 43.04 C ATOM 1372 O PHE A 79 -6.526 8.544 4.798 1.00 42.15 O ATOM 1373 CB PHE A 79 -4.346 7.630 2.652 1.00 42.12 C ATOM 1374 CG PHE A 79 -2.849 7.528 2.736 1.00 25.42 C ATOM 1375 CD1 PHE A 79 -2.157 8.232 3.707 1.00 61.41 C ATOM 1376 CD2 PHE A 79 -2.136 6.729 1.856 1.00 52.23 C ATOM 1377 CE1 PHE A 79 -0.783 8.139 3.804 1.00 64.54 C ATOM 1378 CE2 PHE A 79 -0.759 6.635 1.948 1.00 64.01 C ATOM 1379 CZ PHE A 79 -0.084 7.341 2.924 1.00 2.54 C ATOM 0 H PHE A 79 -5.022 5.220 2.629 1.00 52.01 H new ATOM 0 HA PHE A 79 -4.440 7.100 4.713 1.00 14.35 H new ATOM 0 HB2 PHE A 79 -4.685 7.185 1.716 1.00 42.12 H new ATOM 0 HB3 PHE A 79 -4.634 8.681 2.629 1.00 42.12 H new ATOM 0 HD1 PHE A 79 -2.699 8.862 4.397 1.00 61.41 H new ATOM 0 HD2 PHE A 79 -2.660 6.175 1.092 1.00 52.23 H new ATOM 0 HE1 PHE A 79 -0.256 8.691 4.569 1.00 64.54 H new ATOM 0 HE2 PHE A 79 -0.212 6.010 1.257 1.00 64.01 H new ATOM 0 HZ PHE A 79 0.991 7.268 2.998 1.00 2.54 H new ATOM 1389 N ASP A 80 -7.461 6.966 3.503 1.00 13.12 N ATOM 1390 CA ASP A 80 -8.827 7.398 3.793 1.00 3.01 C ATOM 1391 C ASP A 80 -9.103 7.318 5.289 1.00 40.34 C ATOM 1392 O ASP A 80 -9.674 8.234 5.877 1.00 13.20 O ATOM 1393 CB ASP A 80 -9.861 6.550 3.047 1.00 4.04 C ATOM 1394 CG ASP A 80 -10.000 6.922 1.586 1.00 22.12 C ATOM 1395 OD1 ASP A 80 -10.038 8.131 1.274 1.00 43.21 O ATOM 1396 OD2 ASP A 80 -10.121 6.008 0.744 1.00 62.41 O ATOM 0 H ASP A 80 -7.390 6.199 2.834 1.00 13.12 H new ATOM 0 HA ASP A 80 -8.916 8.430 3.454 1.00 3.01 H new ATOM 0 HB2 ASP A 80 -9.581 5.499 3.122 1.00 4.04 H new ATOM 0 HB3 ASP A 80 -10.829 6.657 3.536 1.00 4.04 H new ATOM 1401 N ASP A 81 -8.687 6.224 5.907 1.00 55.04 N ATOM 1402 CA ASP A 81 -8.866 6.051 7.344 1.00 13.22 C ATOM 1403 C ASP A 81 -7.978 7.018 8.119 1.00 42.54 C ATOM 1404 O ASP A 81 -8.373 7.533 9.166 1.00 13.34 O ATOM 1405 CB ASP A 81 -8.578 4.605 7.767 1.00 24.20 C ATOM 1406 CG ASP A 81 -9.656 3.638 7.313 1.00 34.03 C ATOM 1407 OD1 ASP A 81 -10.855 3.993 7.397 1.00 61.43 O ATOM 1408 OD2 ASP A 81 -9.319 2.513 6.895 1.00 72.15 O ATOM 0 H ASP A 81 -8.224 5.444 5.440 1.00 55.04 H new ATOM 0 HA ASP A 81 -9.907 6.272 7.579 1.00 13.22 H new ATOM 0 HB2 ASP A 81 -7.619 4.294 7.354 1.00 24.20 H new ATOM 0 HB3 ASP A 81 -8.488 4.559 8.852 1.00 24.20 H new ATOM 1413 N ALA A 82 -6.791 7.284 7.592 1.00 24.12 N ATOM 1414 CA ALA A 82 -5.863 8.217 8.223 1.00 62.01 C ATOM 1415 C ALA A 82 -6.387 9.651 8.154 1.00 34.53 C ATOM 1416 O ALA A 82 -6.332 10.395 9.137 1.00 43.33 O ATOM 1417 CB ALA A 82 -4.497 8.125 7.564 1.00 74.34 C ATOM 0 H ALA A 82 -6.446 6.867 6.728 1.00 24.12 H new ATOM 0 HA ALA A 82 -5.771 7.942 9.274 1.00 62.01 H new ATOM 0 HB1 ALA A 82 -3.814 8.826 8.044 1.00 74.34 H new ATOM 0 HB2 ALA A 82 -4.110 7.111 7.669 1.00 74.34 H new ATOM 0 HB3 ALA A 82 -4.586 8.372 6.506 1.00 74.34 H new ATOM 1423 N ILE A 83 -6.896 10.029 6.990 1.00 45.03 N ATOM 1424 CA ILE A 83 -7.401 11.378 6.760 1.00 51.20 C ATOM 1425 C ILE A 83 -8.663 11.643 7.578 1.00 21.25 C ATOM 1426 O ILE A 83 -8.940 12.787 7.944 1.00 61.31 O ATOM 1427 CB ILE A 83 -7.646 11.651 5.258 1.00 63.22 C ATOM 1428 CG1 ILE A 83 -7.768 13.154 4.994 1.00 70.31 C ATOM 1429 CG2 ILE A 83 -8.885 10.923 4.753 1.00 24.54 C ATOM 1430 CD1 ILE A 83 -7.893 13.501 3.526 1.00 64.54 C ATOM 0 H ILE A 83 -6.971 9.413 6.180 1.00 45.03 H new ATOM 0 HA ILE A 83 -6.630 12.072 7.096 1.00 51.20 H new ATOM 0 HB ILE A 83 -6.785 11.268 4.710 1.00 63.22 H new ATOM 0 HG12 ILE A 83 -8.638 13.539 5.526 1.00 70.31 H new ATOM 0 HG13 ILE A 83 -6.894 13.659 5.406 1.00 70.31 H new ATOM 0 HG21 ILE A 83 -9.027 11.138 3.694 1.00 24.54 H new ATOM 0 HG22 ILE A 83 -8.758 9.849 4.892 1.00 24.54 H new ATOM 0 HG23 ILE A 83 -9.758 11.260 5.311 1.00 24.54 H new ATOM 0 HD11 ILE A 83 -7.975 14.582 3.413 1.00 64.54 H new ATOM 0 HD12 ILE A 83 -7.011 13.147 2.992 1.00 64.54 H new ATOM 0 HD13 ILE A 83 -8.782 13.024 3.114 1.00 64.54 H new ATOM 1442 N HIS A 84 -9.429 10.585 7.860 1.00 3.31 N ATOM 1443 CA HIS A 84 -10.610 10.702 8.719 1.00 51.30 C ATOM 1444 C HIS A 84 -10.232 11.320 10.059 1.00 34.14 C ATOM 1445 O HIS A 84 -11.025 12.038 10.666 1.00 53.10 O ATOM 1446 CB HIS A 84 -11.256 9.338 8.972 1.00 20.35 C ATOM 1447 CG HIS A 84 -11.956 8.757 7.786 1.00 73.12 C ATOM 1448 ND1 HIS A 84 -12.153 7.407 7.621 1.00 72.00 N ATOM 1449 CD2 HIS A 84 -12.501 9.348 6.699 1.00 21.20 C ATOM 1450 CE1 HIS A 84 -12.785 7.192 6.486 1.00 32.01 C ATOM 1451 NE2 HIS A 84 -13.010 8.353 5.905 1.00 62.12 N ATOM 0 H HIS A 84 -9.254 9.644 7.508 1.00 3.31 H new ATOM 0 HA HIS A 84 -11.325 11.341 8.201 1.00 51.30 H new ATOM 0 HB2 HIS A 84 -10.486 8.641 9.302 1.00 20.35 H new ATOM 0 HB3 HIS A 84 -11.971 9.434 9.789 1.00 20.35 H new ATOM 0 HD2 HIS A 84 -12.530 10.408 6.494 1.00 21.20 H new ATOM 0 HE1 HIS A 84 -13.071 6.226 6.097 1.00 32.01 H new ATOM 0 HE2 HIS A 84 -13.484 8.489 5.012 1.00 62.12 H new ATOM 1460 N GLU A 85 -9.012 11.049 10.509 1.00 41.21 N ATOM 1461 CA GLU A 85 -8.526 11.611 11.759 1.00 32.12 C ATOM 1462 C GLU A 85 -7.722 12.870 11.475 1.00 71.14 C ATOM 1463 O GLU A 85 -7.726 13.824 12.255 1.00 40.44 O ATOM 1464 CB GLU A 85 -7.672 10.592 12.521 1.00 62.53 C ATOM 1465 CG GLU A 85 -7.240 11.076 13.898 1.00 3.32 C ATOM 1466 CD GLU A 85 -6.497 10.022 14.689 1.00 62.11 C ATOM 1467 OE1 GLU A 85 -7.144 9.069 15.170 1.00 22.25 O ATOM 1468 OE2 GLU A 85 -5.264 10.146 14.847 1.00 73.24 O ATOM 0 H GLU A 85 -8.345 10.446 10.027 1.00 41.21 H new ATOM 0 HA GLU A 85 -9.382 11.865 12.384 1.00 32.12 H new ATOM 0 HB2 GLU A 85 -8.236 9.665 12.630 1.00 62.53 H new ATOM 0 HB3 GLU A 85 -6.786 10.358 11.931 1.00 62.53 H new ATOM 0 HG2 GLU A 85 -6.604 11.954 13.785 1.00 3.32 H new ATOM 0 HG3 GLU A 85 -8.120 11.390 14.459 1.00 3.32 H new ATOM 1475 N GLY A 86 -7.054 12.873 10.334 1.00 74.32 N ATOM 1476 CA GLY A 86 -6.257 14.012 9.943 1.00 21.14 C ATOM 1477 C GLY A 86 -4.779 13.720 10.042 1.00 73.32 C ATOM 1478 O GLY A 86 -3.973 14.631 10.222 1.00 72.20 O ATOM 0 H GLY A 86 -7.050 12.101 9.668 1.00 74.32 H new ATOM 0 HA2 GLY A 86 -6.504 14.295 8.920 1.00 21.14 H new ATOM 0 HA3 GLY A 86 -6.503 14.863 10.578 1.00 21.14 H new ATOM 1482 N TYR A 87 -4.431 12.442 9.929 1.00 0.00 N ATOM 1483 CA TYR A 87 -3.039 12.010 9.997 1.00 64.11 C ATOM 1484 C TYR A 87 -2.236 12.679 8.885 1.00 73.41 C ATOM 1485 O TYR A 87 -1.232 13.347 9.134 1.00 43.43 O ATOM 1486 CB TYR A 87 -2.959 10.486 9.857 1.00 61.35 C ATOM 1487 CG TYR A 87 -1.890 9.835 10.709 1.00 30.44 C ATOM 1488 CD1 TYR A 87 -0.569 10.254 10.649 1.00 72.54 C ATOM 1489 CD2 TYR A 87 -2.211 8.795 11.574 1.00 62.41 C ATOM 1490 CE1 TYR A 87 0.403 9.654 11.425 1.00 1.45 C ATOM 1491 CE2 TYR A 87 -1.245 8.191 12.352 1.00 4.20 C ATOM 1492 CZ TYR A 87 0.062 8.625 12.273 1.00 42.32 C ATOM 1493 OH TYR A 87 1.027 8.034 13.053 1.00 42.34 O ATOM 0 H TYR A 87 -5.098 11.683 9.789 1.00 0.00 H new ATOM 0 HA TYR A 87 -2.621 12.299 10.961 1.00 64.11 H new ATOM 0 HB2 TYR A 87 -3.926 10.058 10.120 1.00 61.35 H new ATOM 0 HB3 TYR A 87 -2.774 10.239 8.812 1.00 61.35 H new ATOM 0 HD1 TYR A 87 -0.297 11.061 9.986 1.00 72.54 H new ATOM 0 HD2 TYR A 87 -3.234 8.454 11.638 1.00 62.41 H new ATOM 0 HE1 TYR A 87 1.427 9.991 11.367 1.00 1.45 H new ATOM 0 HE2 TYR A 87 -1.510 7.384 13.019 1.00 4.20 H new ATOM 0 HH TYR A 87 1.878 8.023 12.568 1.00 42.34 H new ATOM 1503 N VAL A 88 -2.695 12.501 7.658 1.00 30.50 N ATOM 1504 CA VAL A 88 -2.080 13.139 6.509 1.00 5.42 C ATOM 1505 C VAL A 88 -3.110 14.021 5.811 1.00 24.21 C ATOM 1506 O VAL A 88 -4.180 13.549 5.433 1.00 65.14 O ATOM 1507 CB VAL A 88 -1.518 12.099 5.513 1.00 3.41 C ATOM 1508 CG1 VAL A 88 -0.769 12.783 4.381 1.00 4.25 C ATOM 1509 CG2 VAL A 88 -0.618 11.099 6.225 1.00 51.13 C ATOM 0 H VAL A 88 -3.498 11.915 7.432 1.00 30.50 H new ATOM 0 HA VAL A 88 -1.245 13.745 6.861 1.00 5.42 H new ATOM 0 HB VAL A 88 -2.359 11.555 5.084 1.00 3.41 H new ATOM 0 HG11 VAL A 88 -0.383 12.031 3.693 1.00 4.25 H new ATOM 0 HG12 VAL A 88 -1.446 13.449 3.847 1.00 4.25 H new ATOM 0 HG13 VAL A 88 0.060 13.360 4.790 1.00 4.25 H new ATOM 0 HG21 VAL A 88 -0.234 10.377 5.504 1.00 51.13 H new ATOM 0 HG22 VAL A 88 0.215 11.626 6.689 1.00 51.13 H new ATOM 0 HG23 VAL A 88 -1.190 10.577 6.992 1.00 51.13 H new ATOM 1519 N ILE A 89 -2.797 15.302 5.678 1.00 75.11 N ATOM 1520 CA ILE A 89 -3.722 16.257 5.074 1.00 71.21 C ATOM 1521 C ILE A 89 -3.715 16.151 3.548 1.00 71.55 C ATOM 1522 O ILE A 89 -4.735 16.360 2.893 1.00 1.05 O ATOM 1523 CB ILE A 89 -3.394 17.706 5.512 1.00 2.43 C ATOM 1524 CG1 ILE A 89 -4.375 18.701 4.881 1.00 42.43 C ATOM 1525 CG2 ILE A 89 -1.954 18.064 5.164 1.00 2.41 C ATOM 1526 CD1 ILE A 89 -4.168 20.132 5.332 1.00 63.13 C ATOM 0 H ILE A 89 -1.910 15.706 5.979 1.00 75.11 H new ATOM 0 HA ILE A 89 -4.722 16.007 5.428 1.00 71.21 H new ATOM 0 HB ILE A 89 -3.503 17.767 6.595 1.00 2.43 H new ATOM 0 HG12 ILE A 89 -4.278 18.654 3.796 1.00 42.43 H new ATOM 0 HG13 ILE A 89 -5.393 18.397 5.124 1.00 42.43 H new ATOM 0 HG21 ILE A 89 -1.746 19.086 5.481 1.00 2.41 H new ATOM 0 HG22 ILE A 89 -1.276 17.381 5.675 1.00 2.41 H new ATOM 0 HG23 ILE A 89 -1.809 17.982 4.087 1.00 2.41 H new ATOM 0 HD11 ILE A 89 -4.899 20.777 4.843 1.00 63.13 H new ATOM 0 HD12 ILE A 89 -4.294 20.195 6.413 1.00 63.13 H new ATOM 0 HD13 ILE A 89 -3.162 20.456 5.065 1.00 63.13 H new ATOM 1538 N LYS A 90 -2.563 15.815 2.989 1.00 12.10 N ATOM 1539 CA LYS A 90 -2.431 15.651 1.551 1.00 12.35 C ATOM 1540 C LYS A 90 -1.868 14.275 1.238 1.00 34.21 C ATOM 1541 O LYS A 90 -0.671 14.037 1.404 1.00 0.15 O ATOM 1542 CB LYS A 90 -1.526 16.737 0.955 1.00 45.54 C ATOM 1543 CG LYS A 90 -2.115 18.141 1.009 1.00 51.23 C ATOM 1544 CD LYS A 90 -3.395 18.253 0.190 1.00 34.21 C ATOM 1545 CE LYS A 90 -3.156 17.910 -1.273 1.00 71.02 C ATOM 1546 NZ LYS A 90 -4.401 18.014 -2.077 1.00 43.34 N ATOM 0 H LYS A 90 -1.703 15.650 3.512 1.00 12.10 H new ATOM 0 HA LYS A 90 -3.420 15.748 1.102 1.00 12.35 H new ATOM 0 HB2 LYS A 90 -0.575 16.734 1.487 1.00 45.54 H new ATOM 0 HB3 LYS A 90 -1.311 16.485 -0.083 1.00 45.54 H new ATOM 0 HG2 LYS A 90 -2.323 18.408 2.045 1.00 51.23 H new ATOM 0 HG3 LYS A 90 -1.382 18.857 0.636 1.00 51.23 H new ATOM 0 HD2 LYS A 90 -4.151 17.585 0.602 1.00 34.21 H new ATOM 0 HD3 LYS A 90 -3.789 19.266 0.267 1.00 34.21 H new ATOM 0 HE2 LYS A 90 -2.401 18.580 -1.684 1.00 71.02 H new ATOM 0 HE3 LYS A 90 -2.759 16.898 -1.348 1.00 71.02 H new ATOM 0 HZ1 LYS A 90 -4.196 17.773 -3.068 1.00 43.34 H new ATOM 0 HZ2 LYS A 90 -5.113 17.356 -1.701 1.00 43.34 H new ATOM 0 HZ3 LYS A 90 -4.767 18.986 -2.026 1.00 43.34 H new ATOM 1560 N ASN A 91 -2.740 13.372 0.815 1.00 2.42 N ATOM 1561 CA ASN A 91 -2.339 12.003 0.513 1.00 51.25 C ATOM 1562 C ASN A 91 -1.285 11.974 -0.591 1.00 23.34 C ATOM 1563 O ASN A 91 -1.327 12.781 -1.524 1.00 3.33 O ATOM 1564 CB ASN A 91 -3.553 11.160 0.100 1.00 35.11 C ATOM 1565 CG ASN A 91 -4.548 10.962 1.232 1.00 20.25 C ATOM 1566 OD1 ASN A 91 -4.185 10.980 2.406 1.00 11.42 O ATOM 1567 ND2 ASN A 91 -5.810 10.759 0.885 1.00 73.43 N ATOM 0 H ASN A 91 -3.732 13.562 0.672 1.00 2.42 H new ATOM 0 HA ASN A 91 -1.906 11.576 1.418 1.00 51.25 H new ATOM 0 HB2 ASN A 91 -4.055 11.642 -0.739 1.00 35.11 H new ATOM 0 HB3 ASN A 91 -3.211 10.186 -0.251 1.00 35.11 H new ATOM 0 HD21 ASN A 91 -6.519 10.611 1.603 1.00 73.43 H new ATOM 0 HD22 ASN A 91 -6.073 10.751 -0.100 1.00 73.43 H new ATOM 1574 N PRO A 92 -0.321 11.043 -0.491 1.00 14.04 N ATOM 1575 CA PRO A 92 0.760 10.892 -1.475 1.00 50.45 C ATOM 1576 C PRO A 92 0.252 10.531 -2.871 1.00 43.03 C ATOM 1577 O PRO A 92 1.016 10.540 -3.839 1.00 75.15 O ATOM 1578 CB PRO A 92 1.614 9.751 -0.913 1.00 14.04 C ATOM 1579 CG PRO A 92 1.251 9.669 0.530 1.00 34.10 C ATOM 1580 CD PRO A 92 -0.191 10.077 0.611 1.00 25.04 C ATOM 0 HA PRO A 92 1.304 11.828 -1.606 1.00 50.45 H new ATOM 0 HB2 PRO A 92 1.405 8.812 -1.426 1.00 14.04 H new ATOM 0 HB3 PRO A 92 2.677 9.954 -1.041 1.00 14.04 H new ATOM 0 HG2 PRO A 92 1.394 8.658 0.913 1.00 34.10 H new ATOM 0 HG3 PRO A 92 1.879 10.328 1.129 1.00 34.10 H new ATOM 0 HD2 PRO A 92 -0.860 9.226 0.483 1.00 25.04 H new ATOM 0 HD3 PRO A 92 -0.430 10.528 1.574 1.00 25.04 H new ATOM 1588 N THR A 93 -1.031 10.215 -2.972 1.00 53.41 N ATOM 1589 CA THR A 93 -1.644 9.910 -4.250 1.00 22.13 C ATOM 1590 C THR A 93 -1.880 11.189 -5.055 1.00 65.05 C ATOM 1591 O THR A 93 -2.988 11.725 -5.092 1.00 23.14 O ATOM 1592 CB THR A 93 -2.974 9.154 -4.060 1.00 65.53 C ATOM 1593 OG1 THR A 93 -3.760 9.797 -3.046 1.00 30.42 O ATOM 1594 CG2 THR A 93 -2.723 7.703 -3.672 1.00 74.43 C ATOM 0 H THR A 93 -1.668 10.164 -2.177 1.00 53.41 H new ATOM 0 HA THR A 93 -0.958 9.268 -4.802 1.00 22.13 H new ATOM 0 HB THR A 93 -3.516 9.170 -5.006 1.00 65.53 H new ATOM 0 HG1 THR A 93 -3.849 10.750 -3.257 1.00 30.42 H new ATOM 0 HG21 THR A 93 -3.676 7.191 -3.544 1.00 74.43 H new ATOM 0 HG22 THR A 93 -2.149 7.211 -4.457 1.00 74.43 H new ATOM 0 HG23 THR A 93 -2.163 7.668 -2.737 1.00 74.43 H new ATOM 1602 N TYR A 94 -0.815 11.700 -5.653 1.00 21.44 N ATOM 1603 CA TYR A 94 -0.900 12.897 -6.475 1.00 43.40 C ATOM 1604 C TYR A 94 -1.250 12.513 -7.904 1.00 30.50 C ATOM 1605 O TYR A 94 -2.400 12.632 -8.322 1.00 23.01 O ATOM 1606 CB TYR A 94 0.422 13.665 -6.427 1.00 45.03 C ATOM 1607 CG TYR A 94 0.371 15.031 -7.068 1.00 73.35 C ATOM 1608 CD1 TYR A 94 -0.346 16.067 -6.481 1.00 65.13 C ATOM 1609 CD2 TYR A 94 1.054 15.291 -8.249 1.00 70.14 C ATOM 1610 CE1 TYR A 94 -0.385 17.321 -7.056 1.00 41.43 C ATOM 1611 CE2 TYR A 94 1.019 16.542 -8.830 1.00 42.23 C ATOM 1612 CZ TYR A 94 0.299 17.554 -8.228 1.00 3.41 C ATOM 1613 OH TYR A 94 0.266 18.807 -8.800 1.00 10.42 O ATOM 0 H TYR A 94 0.122 11.303 -5.584 1.00 21.44 H new ATOM 0 HA TYR A 94 -1.684 13.546 -6.086 1.00 43.40 H new ATOM 0 HB2 TYR A 94 0.726 13.776 -5.386 1.00 45.03 H new ATOM 0 HB3 TYR A 94 1.191 13.073 -6.923 1.00 45.03 H new ATOM 0 HD1 TYR A 94 -0.881 15.888 -5.560 1.00 65.13 H new ATOM 0 HD2 TYR A 94 1.621 14.502 -8.720 1.00 70.14 H new ATOM 0 HE1 TYR A 94 -0.949 18.115 -6.589 1.00 41.43 H new ATOM 0 HE2 TYR A 94 1.552 16.728 -9.751 1.00 42.23 H new ATOM 0 HH TYR A 94 0.800 18.806 -9.622 1.00 10.42 H new ATOM 1623 N LYS A 95 -0.263 12.035 -8.644 1.00 32.43 N ATOM 1624 CA LYS A 95 -0.521 11.485 -9.960 1.00 51.41 C ATOM 1625 C LYS A 95 -0.248 9.985 -9.950 1.00 45.05 C ATOM 1626 O LYS A 95 0.850 9.526 -10.268 1.00 30.22 O ATOM 1627 CB LYS A 95 0.280 12.208 -11.056 1.00 41.11 C ATOM 1628 CG LYS A 95 1.783 12.298 -10.822 1.00 44.13 C ATOM 1629 CD LYS A 95 2.466 12.927 -12.026 1.00 60.22 C ATOM 1630 CE LYS A 95 3.979 12.945 -11.885 1.00 11.53 C ATOM 1631 NZ LYS A 95 4.632 13.477 -13.109 1.00 71.42 N ATOM 0 H LYS A 95 0.716 12.017 -8.357 1.00 32.43 H new ATOM 0 HA LYS A 95 -1.572 11.646 -10.202 1.00 51.41 H new ATOM 0 HB2 LYS A 95 0.108 11.697 -12.003 1.00 41.11 H new ATOM 0 HB3 LYS A 95 -0.114 13.219 -11.162 1.00 41.11 H new ATOM 0 HG2 LYS A 95 1.984 12.891 -9.930 1.00 44.13 H new ATOM 0 HG3 LYS A 95 2.191 11.303 -10.642 1.00 44.13 H new ATOM 0 HD2 LYS A 95 2.193 12.375 -12.925 1.00 60.22 H new ATOM 0 HD3 LYS A 95 2.103 13.947 -12.156 1.00 60.22 H new ATOM 0 HE2 LYS A 95 4.259 13.556 -11.027 1.00 11.53 H new ATOM 0 HE3 LYS A 95 4.339 11.935 -11.688 1.00 11.53 H new ATOM 0 HZ1 LYS A 95 5.664 13.476 -12.980 1.00 71.42 H new ATOM 0 HZ2 LYS A 95 4.384 12.879 -13.923 1.00 71.42 H new ATOM 0 HZ3 LYS A 95 4.306 14.449 -13.282 1.00 71.42 H new ATOM 1645 N ALA A 96 -1.255 9.233 -9.531 1.00 4.02 N ATOM 1646 CA ALA A 96 -1.144 7.790 -9.429 1.00 34.21 C ATOM 1647 C ALA A 96 -1.527 7.143 -10.744 1.00 55.42 C ATOM 1648 O ALA A 96 -2.701 6.905 -11.017 1.00 13.03 O ATOM 1649 CB ALA A 96 -2.023 7.267 -8.308 1.00 24.52 C ATOM 0 H ALA A 96 -2.164 9.604 -9.255 1.00 4.02 H new ATOM 0 HA ALA A 96 -0.109 7.536 -9.201 1.00 34.21 H new ATOM 0 HB1 ALA A 96 -1.927 6.183 -8.246 1.00 24.52 H new ATOM 0 HB2 ALA A 96 -1.712 7.713 -7.363 1.00 24.52 H new ATOM 0 HB3 ALA A 96 -3.062 7.529 -8.508 1.00 24.52 H new ATOM 1655 N GLU A 97 -0.527 6.883 -11.559 1.00 63.02 N ATOM 1656 CA GLU A 97 -0.746 6.341 -12.883 1.00 65.14 C ATOM 1657 C GLU A 97 -0.498 4.843 -12.891 1.00 1.54 C ATOM 1658 O GLU A 97 0.640 4.386 -12.788 1.00 44.43 O ATOM 1659 CB GLU A 97 0.168 7.047 -13.877 1.00 42.05 C ATOM 1660 CG GLU A 97 -0.028 8.551 -13.887 1.00 4.42 C ATOM 1661 CD GLU A 97 -1.325 8.972 -14.545 1.00 1.11 C ATOM 1662 OE1 GLU A 97 -1.481 8.744 -15.767 1.00 22.31 O ATOM 1663 OE2 GLU A 97 -2.199 9.533 -13.848 1.00 73.25 O ATOM 0 H GLU A 97 0.453 7.040 -11.325 1.00 63.02 H new ATOM 0 HA GLU A 97 -1.783 6.510 -13.175 1.00 65.14 H new ATOM 0 HB2 GLU A 97 1.206 6.822 -13.633 1.00 42.05 H new ATOM 0 HB3 GLU A 97 -0.017 6.654 -14.877 1.00 42.05 H new ATOM 0 HG2 GLU A 97 -0.010 8.922 -12.862 1.00 4.42 H new ATOM 0 HG3 GLU A 97 0.807 9.018 -14.410 1.00 4.42 H new ATOM 1670 N LEU A 98 -1.573 4.088 -13.017 1.00 15.02 N ATOM 1671 CA LEU A 98 -1.512 2.633 -13.004 1.00 3.24 C ATOM 1672 C LEU A 98 -1.184 2.113 -14.401 1.00 33.33 C ATOM 1673 O LEU A 98 -1.754 1.129 -14.873 1.00 63.02 O ATOM 1674 CB LEU A 98 -2.854 2.090 -12.522 1.00 32.02 C ATOM 1675 CG LEU A 98 -3.344 2.708 -11.210 1.00 1.54 C ATOM 1676 CD1 LEU A 98 -4.769 2.268 -10.909 1.00 42.15 C ATOM 1677 CD2 LEU A 98 -2.417 2.327 -10.068 1.00 45.10 C ATOM 0 H LEU A 98 -2.515 4.463 -13.131 1.00 15.02 H new ATOM 0 HA LEU A 98 -0.726 2.297 -12.328 1.00 3.24 H new ATOM 0 HB2 LEU A 98 -3.603 2.264 -13.295 1.00 32.02 H new ATOM 0 HB3 LEU A 98 -2.772 1.011 -12.394 1.00 32.02 H new ATOM 0 HG LEU A 98 -3.337 3.793 -11.316 1.00 1.54 H new ATOM 0 HD11 LEU A 98 -5.099 2.718 -9.973 1.00 42.15 H new ATOM 0 HD12 LEU A 98 -5.427 2.588 -11.717 1.00 42.15 H new ATOM 0 HD13 LEU A 98 -4.804 1.182 -10.822 1.00 42.15 H new ATOM 0 HD21 LEU A 98 -2.778 2.774 -9.142 1.00 45.10 H new ATOM 0 HD22 LEU A 98 -2.395 1.242 -9.963 1.00 45.10 H new ATOM 0 HD23 LEU A 98 -1.412 2.691 -10.279 1.00 45.10 H new ATOM 1689 N HIS A 99 -0.232 2.777 -15.036 1.00 75.33 N ATOM 1690 CA HIS A 99 0.124 2.502 -16.415 1.00 51.04 C ATOM 1691 C HIS A 99 1.131 1.359 -16.490 1.00 44.23 C ATOM 1692 O HIS A 99 2.339 1.583 -16.575 1.00 63.51 O ATOM 1693 CB HIS A 99 0.689 3.775 -17.058 1.00 53.23 C ATOM 1694 CG HIS A 99 0.897 3.688 -18.538 1.00 23.24 C ATOM 1695 ND1 HIS A 99 -0.100 3.951 -19.450 1.00 34.24 N ATOM 1696 CD2 HIS A 99 1.998 3.393 -19.265 1.00 33.41 C ATOM 1697 CE1 HIS A 99 0.377 3.820 -20.670 1.00 41.11 C ATOM 1698 NE2 HIS A 99 1.646 3.483 -20.586 1.00 2.40 N ATOM 0 H HIS A 99 0.316 3.523 -14.607 1.00 75.33 H new ATOM 0 HA HIS A 99 -0.767 2.195 -16.963 1.00 51.04 H new ATOM 0 HB2 HIS A 99 0.012 4.603 -16.848 1.00 53.23 H new ATOM 0 HB3 HIS A 99 1.641 4.013 -16.584 1.00 53.23 H new ATOM 0 HD2 HIS A 99 2.972 3.135 -18.877 1.00 33.41 H new ATOM 0 HE1 HIS A 99 -0.179 3.965 -21.585 1.00 41.11 H new ATOM 0 HE2 HIS A 99 2.268 3.316 -21.377 1.00 2.40 H new ATOM 1707 N ALA A 100 0.624 0.137 -16.426 1.00 63.22 N ATOM 1708 CA ALA A 100 1.465 -1.047 -16.508 1.00 32.22 C ATOM 1709 C ALA A 100 1.940 -1.269 -17.939 1.00 73.13 C ATOM 1710 O ALA A 100 1.159 -1.662 -18.806 1.00 64.31 O ATOM 1711 CB ALA A 100 0.710 -2.267 -16.001 1.00 40.21 C ATOM 0 H ALA A 100 -0.371 -0.061 -16.317 1.00 63.22 H new ATOM 0 HA ALA A 100 2.341 -0.894 -15.877 1.00 32.22 H new ATOM 0 HB1 ALA A 100 1.351 -3.146 -16.068 1.00 40.21 H new ATOM 0 HB2 ALA A 100 0.419 -2.109 -14.963 1.00 40.21 H new ATOM 0 HB3 ALA A 100 -0.182 -2.421 -16.609 1.00 40.21 H new ATOM 1717 N SER A 101 3.221 -1.018 -18.186 1.00 22.34 N ATOM 1718 CA SER A 101 3.782 -1.138 -19.528 1.00 0.50 C ATOM 1719 C SER A 101 3.974 -2.596 -19.938 1.00 70.03 C ATOM 1720 O SER A 101 4.432 -2.888 -21.043 1.00 65.11 O ATOM 1721 CB SER A 101 5.101 -0.373 -19.620 1.00 51.12 C ATOM 1722 OG SER A 101 4.876 1.019 -19.473 1.00 41.40 O ATOM 0 H SER A 101 3.892 -0.730 -17.474 1.00 22.34 H new ATOM 0 HA SER A 101 3.068 -0.699 -20.225 1.00 0.50 H new ATOM 0 HB2 SER A 101 5.785 -0.721 -18.846 1.00 51.12 H new ATOM 0 HB3 SER A 101 5.578 -0.571 -20.580 1.00 51.12 H new ATOM 0 HG SER A 101 5.730 1.496 -19.532 1.00 41.40 H new