USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=33 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 52 TYR OH : rot -171:sc= 0.224 USER MOD Set 1.2: A 72 ASN : amide:sc= -0.123 K(o=0.1,f=-1.2) USER MOD Set 2.1: A 27 HIS : no HD1:sc= -0.319 X(o=-0.32,f=-0.32) USER MOD Set 2.2: A 70 LYS NZ :NH3+ -129:sc= 0 (180deg=0) USER MOD Set 3.1: A 34 HIS : no HE2:sc= -1.04 K(o=-0.13,f=-1.7) USER MOD Set 3.2: A 62 THR OG1 : rot 85:sc= 1.05 USER MOD Set 3.3: A 63 HIS : no HD1:sc= -0.142 K(o=-0.13,f=-1.7) USER MOD Set 4.1: A 53 GLN : amide:sc= 1.45 K(o=3.3,f=-1.2) USER MOD Set 4.2: A 57 ASN : amide:sc= 1.83 K(o=3.3,f=-1.2) USER MOD Set 5.1: A 32 TYR OH : rot 150:sc= 0.434 USER MOD Set 5.2: A 36 LYS NZ :NH3+ 173:sc= 0.481 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -0.549 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot 67:sc= -2.3 USER MOD Single : A 15 ASN : amide:sc= 0.749 K(o=0.75,f=-0.85) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.341 X(o=-0.34,f=0.086) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.0154 USER MOD Single : A 24 THR OG1 : rot -150:sc= 0.232 USER MOD Single : A 25 LYS NZ :NH3+ -141:sc= -1.54 (180deg=-3.41!) USER MOD Single : A 28 TYR OH : rot -91:sc= 0.858 USER MOD Single : A 30 SER OG : rot 63:sc= 1.29 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0.274 K(o=2,f=-10!) USER MOD Single : A 41 HIS : no HD1:sc= -0.0747 X(o=-0.075,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 147:sc= 2.03 (180deg=1.41) USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= -0.0284 (180deg=-0.298) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= 0.88 (180deg=0.72) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 120:sc= -0.431 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 166:sc= -0.152 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00383 USER MOD Single : A 73 SER OG : rot 19:sc= 0.783 USER MOD Single : A 74 TYR OH : rot 30:sc= -1.15 USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=0.9) USER MOD Single : A 84 HIS : no HE2:sc= 1.24 K(o=1.2,f=-5!) USER MOD Single : A 87 TYR OH : rot 66:sc= -1.06 USER MOD Single : A 90 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.101) USER MOD Single : A 91 ASN : amide:sc= -0.326 K(o=-0.33,f=-4.1!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0761 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0573) USER MOD Single : A 99 HIS : no HD1:sc= -5.77! C(o=-5.8!,f=-4.2!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 4.203 5.881 13.039 1.00 60.13 N ATOM 21 CA ILE A 2 4.428 4.631 12.331 1.00 13.13 C ATOM 22 C ILE A 2 4.769 4.877 10.855 1.00 50.32 C ATOM 23 O ILE A 2 4.301 5.849 10.240 1.00 63.41 O ATOM 24 CB ILE A 2 3.188 3.709 12.461 1.00 45.21 C ATOM 25 CG1 ILE A 2 3.481 2.306 11.930 1.00 43.50 C ATOM 26 CG2 ILE A 2 1.987 4.306 11.739 1.00 12.33 C ATOM 27 CD1 ILE A 2 2.343 1.333 12.147 1.00 42.13 C ATOM 0 HA ILE A 2 5.284 4.134 12.788 1.00 13.13 H new ATOM 0 HB ILE A 2 2.950 3.629 13.522 1.00 45.21 H new ATOM 0 HG12 ILE A 2 3.699 2.367 10.864 1.00 43.50 H new ATOM 0 HG13 ILE A 2 4.377 1.921 12.417 1.00 43.50 H new ATOM 0 HG21 ILE A 2 1.131 3.640 11.845 1.00 12.33 H new ATOM 0 HG22 ILE A 2 1.748 5.277 12.172 1.00 12.33 H new ATOM 0 HG23 ILE A 2 2.222 4.429 10.682 1.00 12.33 H new ATOM 0 HD11 ILE A 2 2.617 0.357 11.747 1.00 42.13 H new ATOM 0 HD12 ILE A 2 2.139 1.243 13.214 1.00 42.13 H new ATOM 0 HD13 ILE A 2 1.451 1.697 11.637 1.00 42.13 H new ATOM 39 N THR A 3 5.609 4.008 10.303 1.00 33.04 N ATOM 40 CA THR A 3 6.025 4.106 8.912 1.00 4.02 C ATOM 41 C THR A 3 4.929 3.598 7.981 1.00 11.24 C ATOM 42 O THR A 3 4.032 2.872 8.410 1.00 10.43 O ATOM 43 CB THR A 3 7.320 3.305 8.663 1.00 22.22 C ATOM 44 OG1 THR A 3 7.148 1.939 9.069 1.00 43.44 O ATOM 45 CG2 THR A 3 8.486 3.915 9.423 1.00 71.12 C ATOM 0 H THR A 3 6.018 3.220 10.806 1.00 33.04 H new ATOM 0 HA THR A 3 6.214 5.159 8.701 1.00 4.02 H new ATOM 0 HB THR A 3 7.537 3.340 7.595 1.00 22.22 H new ATOM 0 HG1 THR A 3 7.976 1.442 8.904 1.00 43.44 H new ATOM 0 HG21 THR A 3 9.388 3.334 9.233 1.00 71.12 H new ATOM 0 HG22 THR A 3 8.639 4.942 9.091 1.00 71.12 H new ATOM 0 HG23 THR A 3 8.268 3.907 10.491 1.00 71.12 H new ATOM 53 N PHE A 4 5.007 3.974 6.708 1.00 45.34 N ATOM 54 CA PHE A 4 3.997 3.580 5.729 1.00 73.03 C ATOM 55 C PHE A 4 3.945 2.059 5.582 1.00 25.44 C ATOM 56 O PHE A 4 2.866 1.474 5.500 1.00 31.03 O ATOM 57 CB PHE A 4 4.282 4.244 4.375 1.00 14.40 C ATOM 58 CG PHE A 4 3.311 3.870 3.285 1.00 33.24 C ATOM 59 CD1 PHE A 4 1.954 3.761 3.546 1.00 41.44 C ATOM 60 CD2 PHE A 4 3.759 3.634 1.997 1.00 11.15 C ATOM 61 CE1 PHE A 4 1.065 3.423 2.544 1.00 72.01 C ATOM 62 CE2 PHE A 4 2.875 3.296 0.990 1.00 45.11 C ATOM 63 CZ PHE A 4 1.526 3.189 1.264 1.00 43.43 C ATOM 0 H PHE A 4 5.758 4.551 6.330 1.00 45.34 H new ATOM 0 HA PHE A 4 3.024 3.918 6.085 1.00 73.03 H new ATOM 0 HB2 PHE A 4 4.267 5.326 4.504 1.00 14.40 H new ATOM 0 HB3 PHE A 4 5.289 3.975 4.056 1.00 14.40 H new ATOM 0 HD1 PHE A 4 1.587 3.943 4.545 1.00 41.44 H new ATOM 0 HD2 PHE A 4 4.813 3.715 1.776 1.00 11.15 H new ATOM 0 HE1 PHE A 4 0.010 3.342 2.762 1.00 72.01 H new ATOM 0 HE2 PHE A 4 3.239 3.116 -0.011 1.00 45.11 H new ATOM 0 HZ PHE A 4 0.833 2.923 0.479 1.00 43.43 H new ATOM 73 N ALA A 5 5.114 1.428 5.578 1.00 41.54 N ATOM 74 CA ALA A 5 5.209 -0.020 5.434 1.00 63.50 C ATOM 75 C ALA A 5 4.497 -0.738 6.574 1.00 52.11 C ATOM 76 O ALA A 5 3.588 -1.544 6.350 1.00 21.34 O ATOM 77 CB ALA A 5 6.667 -0.446 5.377 1.00 64.03 C ATOM 0 H ALA A 5 6.013 1.900 5.673 1.00 41.54 H new ATOM 0 HA ALA A 5 4.717 -0.298 4.502 1.00 63.50 H new ATOM 0 HB1 ALA A 5 6.726 -1.529 5.269 1.00 64.03 H new ATOM 0 HB2 ALA A 5 7.152 0.030 4.525 1.00 64.03 H new ATOM 0 HB3 ALA A 5 7.170 -0.145 6.296 1.00 64.03 H new ATOM 83 N ASP A 6 4.900 -0.432 7.801 1.00 75.32 N ATOM 84 CA ASP A 6 4.345 -1.105 8.968 1.00 3.40 C ATOM 85 C ASP A 6 2.876 -0.744 9.144 1.00 5.32 C ATOM 86 O ASP A 6 2.069 -1.574 9.572 1.00 44.10 O ATOM 87 CB ASP A 6 5.135 -0.748 10.228 1.00 0.12 C ATOM 88 CG ASP A 6 4.754 -1.615 11.413 1.00 73.15 C ATOM 89 OD1 ASP A 6 4.898 -2.854 11.317 1.00 75.22 O ATOM 90 OD2 ASP A 6 4.310 -1.074 12.442 1.00 12.33 O ATOM 0 H ASP A 6 5.605 0.274 8.013 1.00 75.32 H new ATOM 0 HA ASP A 6 4.422 -2.180 8.808 1.00 3.40 H new ATOM 0 HB2 ASP A 6 6.201 -0.858 10.029 1.00 0.12 H new ATOM 0 HB3 ASP A 6 4.963 0.299 10.477 1.00 0.12 H new ATOM 95 N TYR A 7 2.527 0.493 8.795 1.00 54.11 N ATOM 96 CA TYR A 7 1.146 0.943 8.875 1.00 75.30 C ATOM 97 C TYR A 7 0.276 0.172 7.900 1.00 74.02 C ATOM 98 O TYR A 7 -0.826 -0.236 8.246 1.00 12.21 O ATOM 99 CB TYR A 7 1.028 2.445 8.594 1.00 45.21 C ATOM 100 CG TYR A 7 -0.396 2.955 8.665 1.00 33.12 C ATOM 101 CD1 TYR A 7 -0.960 3.321 9.879 1.00 61.14 C ATOM 102 CD2 TYR A 7 -1.180 3.055 7.521 1.00 2.41 C ATOM 103 CE1 TYR A 7 -2.262 3.773 9.954 1.00 35.23 C ATOM 104 CE2 TYR A 7 -2.485 3.504 7.588 1.00 2.52 C ATOM 105 CZ TYR A 7 -3.020 3.861 8.805 1.00 53.34 C ATOM 106 OH TYR A 7 -4.319 4.303 8.878 1.00 62.02 O ATOM 0 H TYR A 7 3.182 1.197 8.455 1.00 54.11 H new ATOM 0 HA TYR A 7 0.801 0.755 9.892 1.00 75.30 H new ATOM 0 HB2 TYR A 7 1.639 2.992 9.312 1.00 45.21 H new ATOM 0 HB3 TYR A 7 1.434 2.656 7.605 1.00 45.21 H new ATOM 0 HD1 TYR A 7 -0.370 3.251 10.781 1.00 61.14 H new ATOM 0 HD2 TYR A 7 -0.762 2.777 6.565 1.00 2.41 H new ATOM 0 HE1 TYR A 7 -2.685 4.056 10.907 1.00 35.23 H new ATOM 0 HE2 TYR A 7 -3.082 3.574 6.691 1.00 2.52 H new ATOM 0 HH TYR A 7 -4.714 4.307 7.981 1.00 62.02 H new ATOM 116 N PHE A 8 0.775 -0.028 6.686 1.00 50.42 N ATOM 117 CA PHE A 8 0.023 -0.743 5.661 1.00 73.45 C ATOM 118 C PHE A 8 -0.365 -2.131 6.156 1.00 4.32 C ATOM 119 O PHE A 8 -1.513 -2.556 6.016 1.00 10.23 O ATOM 120 CB PHE A 8 0.841 -0.856 4.372 1.00 30.32 C ATOM 121 CG PHE A 8 0.090 -1.498 3.239 1.00 31.44 C ATOM 122 CD1 PHE A 8 -0.834 -0.770 2.504 1.00 5.31 C ATOM 123 CD2 PHE A 8 0.305 -2.827 2.908 1.00 31.43 C ATOM 124 CE1 PHE A 8 -1.527 -1.355 1.462 1.00 43.33 C ATOM 125 CE2 PHE A 8 -0.387 -3.417 1.867 1.00 11.41 C ATOM 126 CZ PHE A 8 -1.303 -2.680 1.144 1.00 22.42 C ATOM 0 H PHE A 8 1.696 0.294 6.387 1.00 50.42 H new ATOM 0 HA PHE A 8 -0.885 -0.178 5.449 1.00 73.45 H new ATOM 0 HB2 PHE A 8 1.162 0.140 4.066 1.00 30.32 H new ATOM 0 HB3 PHE A 8 1.743 -1.434 4.573 1.00 30.32 H new ATOM 0 HD1 PHE A 8 -1.014 0.266 2.749 1.00 5.31 H new ATOM 0 HD2 PHE A 8 1.021 -3.408 3.470 1.00 31.43 H new ATOM 0 HE1 PHE A 8 -2.243 -0.777 0.897 1.00 43.33 H new ATOM 0 HE2 PHE A 8 -0.211 -4.453 1.620 1.00 11.41 H new ATOM 0 HZ PHE A 8 -1.844 -3.139 0.330 1.00 22.42 H new ATOM 136 N TYR A 9 0.593 -2.828 6.754 1.00 63.41 N ATOM 137 CA TYR A 9 0.337 -4.162 7.276 1.00 31.40 C ATOM 138 C TYR A 9 -0.619 -4.098 8.467 1.00 4.33 C ATOM 139 O TYR A 9 -1.546 -4.903 8.575 1.00 71.22 O ATOM 140 CB TYR A 9 1.644 -4.839 7.689 1.00 31.51 C ATOM 141 CG TYR A 9 1.482 -6.306 8.002 1.00 42.30 C ATOM 142 CD1 TYR A 9 1.603 -7.260 7.001 1.00 4.43 C ATOM 143 CD2 TYR A 9 1.201 -6.737 9.292 1.00 30.22 C ATOM 144 CE1 TYR A 9 1.452 -8.603 7.277 1.00 11.44 C ATOM 145 CE2 TYR A 9 1.046 -8.077 9.576 1.00 24.24 C ATOM 146 CZ TYR A 9 1.173 -9.007 8.564 1.00 4.41 C ATOM 147 OH TYR A 9 1.033 -10.348 8.841 1.00 34.23 O ATOM 0 H TYR A 9 1.547 -2.494 6.888 1.00 63.41 H new ATOM 0 HA TYR A 9 -0.127 -4.752 6.486 1.00 31.40 H new ATOM 0 HB2 TYR A 9 2.374 -4.724 6.888 1.00 31.51 H new ATOM 0 HB3 TYR A 9 2.048 -4.330 8.564 1.00 31.51 H new ATOM 0 HD1 TYR A 9 1.819 -6.946 5.990 1.00 4.43 H new ATOM 0 HD2 TYR A 9 1.102 -6.011 10.085 1.00 30.22 H new ATOM 0 HE1 TYR A 9 1.552 -9.334 6.488 1.00 11.44 H new ATOM 0 HE2 TYR A 9 0.827 -8.397 10.584 1.00 24.24 H new ATOM 0 HH TYR A 9 0.839 -10.467 9.794 1.00 34.23 H new ATOM 157 N GLN A 10 -0.390 -3.130 9.349 1.00 71.11 N ATOM 158 CA GLN A 10 -1.220 -2.957 10.538 1.00 52.24 C ATOM 159 C GLN A 10 -2.656 -2.619 10.143 1.00 73.44 C ATOM 160 O GLN A 10 -3.602 -3.261 10.595 1.00 31.24 O ATOM 161 CB GLN A 10 -0.642 -1.848 11.420 1.00 52.24 C ATOM 162 CG GLN A 10 -1.411 -1.618 12.710 1.00 43.10 C ATOM 163 CD GLN A 10 -0.851 -0.460 13.511 1.00 25.30 C ATOM 164 OE1 GLN A 10 0.035 -0.638 14.346 1.00 32.11 O ATOM 165 NE2 GLN A 10 -1.362 0.735 13.266 1.00 32.50 N ATOM 0 H GLN A 10 0.366 -2.451 9.263 1.00 71.11 H new ATOM 0 HA GLN A 10 -1.227 -3.892 11.099 1.00 52.24 H new ATOM 0 HB2 GLN A 10 0.391 -2.094 11.664 1.00 52.24 H new ATOM 0 HB3 GLN A 10 -0.622 -0.919 10.851 1.00 52.24 H new ATOM 0 HG2 GLN A 10 -2.458 -1.424 12.477 1.00 43.10 H new ATOM 0 HG3 GLN A 10 -1.382 -2.524 13.315 1.00 43.10 H new ATOM 0 HE21 GLN A 10 -2.096 0.842 12.566 1.00 32.50 H new ATOM 0 HE22 GLN A 10 -1.022 1.550 13.777 1.00 32.50 H new ATOM 174 N TRP A 11 -2.795 -1.618 9.281 1.00 44.50 N ATOM 175 CA TRP A 11 -4.090 -1.190 8.760 1.00 54.22 C ATOM 176 C TRP A 11 -4.848 -2.372 8.169 1.00 54.22 C ATOM 177 O TRP A 11 -6.040 -2.552 8.415 1.00 12.15 O ATOM 178 CB TRP A 11 -3.872 -0.104 7.697 1.00 12.01 C ATOM 179 CG TRP A 11 -5.090 0.232 6.892 1.00 14.35 C ATOM 180 CD1 TRP A 11 -6.119 1.047 7.261 1.00 74.11 C ATOM 181 CD2 TRP A 11 -5.400 -0.232 5.570 1.00 61.33 C ATOM 182 NE1 TRP A 11 -7.056 1.106 6.258 1.00 32.04 N ATOM 183 CE2 TRP A 11 -6.634 0.335 5.207 1.00 24.11 C ATOM 184 CE3 TRP A 11 -4.752 -1.073 4.660 1.00 10.33 C ATOM 185 CZ2 TRP A 11 -7.235 0.088 3.975 1.00 21.00 C ATOM 186 CZ3 TRP A 11 -5.348 -1.315 3.436 1.00 12.13 C ATOM 187 CH2 TRP A 11 -6.577 -0.736 3.103 1.00 53.32 C ATOM 0 H TRP A 11 -2.009 -1.077 8.921 1.00 44.50 H new ATOM 0 HA TRP A 11 -4.689 -0.783 9.575 1.00 54.22 H new ATOM 0 HB2 TRP A 11 -3.516 0.801 8.189 1.00 12.01 H new ATOM 0 HB3 TRP A 11 -3.083 -0.430 7.019 1.00 12.01 H new ATOM 0 HD1 TRP A 11 -6.187 1.570 8.204 1.00 74.11 H new ATOM 0 HE1 TRP A 11 -7.926 1.638 6.291 1.00 32.04 H new ATOM 0 HE3 TRP A 11 -3.803 -1.525 4.909 1.00 10.33 H new ATOM 0 HZ2 TRP A 11 -8.186 0.531 3.717 1.00 21.00 H new ATOM 0 HZ3 TRP A 11 -4.856 -1.962 2.725 1.00 12.13 H new ATOM 0 HH2 TRP A 11 -7.015 -0.944 2.138 1.00 53.32 H new ATOM 198 N TYR A 12 -4.140 -3.180 7.397 1.00 43.04 N ATOM 199 CA TYR A 12 -4.723 -4.360 6.790 1.00 20.12 C ATOM 200 C TYR A 12 -5.203 -5.344 7.855 1.00 60.32 C ATOM 201 O TYR A 12 -6.390 -5.674 7.911 1.00 1.51 O ATOM 202 CB TYR A 12 -3.700 -5.030 5.870 1.00 3.11 C ATOM 203 CG TYR A 12 -4.149 -6.362 5.320 1.00 25.31 C ATOM 204 CD1 TYR A 12 -5.385 -6.501 4.704 1.00 44.14 C ATOM 205 CD2 TYR A 12 -3.335 -7.482 5.419 1.00 12.12 C ATOM 206 CE1 TYR A 12 -5.797 -7.714 4.203 1.00 43.13 C ATOM 207 CE2 TYR A 12 -3.740 -8.701 4.917 1.00 21.32 C ATOM 208 CZ TYR A 12 -4.972 -8.811 4.310 1.00 22.23 C ATOM 209 OH TYR A 12 -5.378 -10.019 3.804 1.00 21.45 O ATOM 0 H TYR A 12 -3.155 -3.037 7.176 1.00 43.04 H new ATOM 0 HA TYR A 12 -5.588 -4.054 6.201 1.00 20.12 H new ATOM 0 HB2 TYR A 12 -3.481 -4.360 5.038 1.00 3.11 H new ATOM 0 HB3 TYR A 12 -2.769 -5.171 6.420 1.00 3.11 H new ATOM 0 HD1 TYR A 12 -6.034 -5.642 4.617 1.00 44.14 H new ATOM 0 HD2 TYR A 12 -2.370 -7.398 5.896 1.00 12.12 H new ATOM 0 HE1 TYR A 12 -6.763 -7.805 3.728 1.00 43.13 H new ATOM 0 HE2 TYR A 12 -3.096 -9.564 4.999 1.00 21.32 H new ATOM 0 HH TYR A 12 -5.431 -9.963 2.827 1.00 21.45 H new ATOM 219 N GLU A 13 -4.285 -5.774 8.715 1.00 64.02 N ATOM 220 CA GLU A 13 -4.571 -6.816 9.697 1.00 55.31 C ATOM 221 C GLU A 13 -5.706 -6.409 10.639 1.00 4.10 C ATOM 222 O GLU A 13 -6.507 -7.243 11.060 1.00 1.44 O ATOM 223 CB GLU A 13 -3.312 -7.138 10.508 1.00 22.14 C ATOM 224 CG GLU A 13 -3.451 -8.380 11.373 1.00 4.21 C ATOM 225 CD GLU A 13 -2.308 -8.558 12.347 1.00 12.21 C ATOM 226 OE1 GLU A 13 -1.283 -9.165 11.972 1.00 70.33 O ATOM 227 OE2 GLU A 13 -2.435 -8.100 13.502 1.00 44.12 O ATOM 0 H GLU A 13 -3.331 -5.415 8.752 1.00 64.02 H new ATOM 0 HA GLU A 13 -4.890 -7.704 9.152 1.00 55.31 H new ATOM 0 HB2 GLU A 13 -2.473 -7.272 9.825 1.00 22.14 H new ATOM 0 HB3 GLU A 13 -3.071 -6.286 11.144 1.00 22.14 H new ATOM 0 HG2 GLU A 13 -4.388 -8.326 11.928 1.00 4.21 H new ATOM 0 HG3 GLU A 13 -3.512 -9.258 10.730 1.00 4.21 H new ATOM 234 N VAL A 14 -5.777 -5.127 10.959 1.00 53.44 N ATOM 235 CA VAL A 14 -6.783 -4.630 11.888 1.00 62.53 C ATOM 236 C VAL A 14 -8.135 -4.413 11.204 1.00 53.21 C ATOM 237 O VAL A 14 -9.186 -4.608 11.817 1.00 22.21 O ATOM 238 CB VAL A 14 -6.320 -3.309 12.550 1.00 41.53 C ATOM 239 CG1 VAL A 14 -7.397 -2.741 13.461 1.00 53.51 C ATOM 240 CG2 VAL A 14 -5.033 -3.525 13.332 1.00 25.40 C ATOM 0 H VAL A 14 -5.151 -4.411 10.590 1.00 53.44 H new ATOM 0 HA VAL A 14 -6.907 -5.394 12.656 1.00 62.53 H new ATOM 0 HB VAL A 14 -6.133 -2.588 11.754 1.00 41.53 H new ATOM 0 HG11 VAL A 14 -7.041 -1.814 13.911 1.00 53.51 H new ATOM 0 HG12 VAL A 14 -8.297 -2.541 12.880 1.00 53.51 H new ATOM 0 HG13 VAL A 14 -7.626 -3.461 14.247 1.00 53.51 H new ATOM 0 HG21 VAL A 14 -4.723 -2.586 13.790 1.00 25.40 H new ATOM 0 HG22 VAL A 14 -5.201 -4.270 14.110 1.00 25.40 H new ATOM 0 HG23 VAL A 14 -4.252 -3.875 12.657 1.00 25.40 H new ATOM 250 N ASN A 15 -8.118 -4.051 9.928 1.00 13.12 N ATOM 251 CA ASN A 15 -9.341 -3.590 9.272 1.00 41.44 C ATOM 252 C ASN A 15 -9.845 -4.573 8.225 1.00 23.41 C ATOM 253 O ASN A 15 -10.967 -5.058 8.315 1.00 43.35 O ATOM 254 CB ASN A 15 -9.127 -2.215 8.626 1.00 51.03 C ATOM 255 CG ASN A 15 -9.019 -1.087 9.637 1.00 0.00 C ATOM 256 OD1 ASN A 15 -9.627 -1.124 10.706 1.00 53.20 O ATOM 257 ND2 ASN A 15 -8.245 -0.071 9.299 1.00 54.15 N ATOM 0 H ASN A 15 -7.289 -4.065 9.333 1.00 13.12 H new ATOM 0 HA ASN A 15 -10.101 -3.514 10.050 1.00 41.44 H new ATOM 0 HB2 ASN A 15 -8.219 -2.242 8.023 1.00 51.03 H new ATOM 0 HB3 ASN A 15 -9.954 -2.007 7.947 1.00 51.03 H new ATOM 0 HD21 ASN A 15 -8.135 0.720 9.934 1.00 54.15 H new ATOM 0 HD22 ASN A 15 -7.757 -0.077 8.403 1.00 54.15 H new ATOM 264 N LYS A 16 -9.015 -4.878 7.239 1.00 20.32 N ATOM 265 CA LYS A 16 -9.461 -5.652 6.082 1.00 21.32 C ATOM 266 C LYS A 16 -9.355 -7.150 6.330 1.00 30.33 C ATOM 267 O LYS A 16 -10.077 -7.935 5.717 1.00 71.11 O ATOM 268 CB LYS A 16 -8.638 -5.281 4.847 1.00 11.11 C ATOM 269 CG LYS A 16 -8.686 -3.804 4.501 1.00 54.30 C ATOM 270 CD LYS A 16 -10.092 -3.355 4.134 1.00 1.22 C ATOM 271 CE LYS A 16 -10.169 -1.846 3.993 1.00 5.14 C ATOM 272 NZ LYS A 16 -11.522 -1.389 3.574 1.00 21.11 N ATOM 0 H LYS A 16 -8.033 -4.605 7.213 1.00 20.32 H new ATOM 0 HA LYS A 16 -10.510 -5.408 5.913 1.00 21.32 H new ATOM 0 HB2 LYS A 16 -7.601 -5.573 5.012 1.00 11.11 H new ATOM 0 HB3 LYS A 16 -8.999 -5.856 3.995 1.00 11.11 H new ATOM 0 HG2 LYS A 16 -8.328 -3.220 5.349 1.00 54.30 H new ATOM 0 HG3 LYS A 16 -8.012 -3.604 3.668 1.00 54.30 H new ATOM 0 HD2 LYS A 16 -10.394 -3.826 3.198 1.00 1.22 H new ATOM 0 HD3 LYS A 16 -10.794 -3.687 4.899 1.00 1.22 H new ATOM 0 HE2 LYS A 16 -9.908 -1.380 4.943 1.00 5.14 H new ATOM 0 HE3 LYS A 16 -9.432 -1.513 3.262 1.00 5.14 H new ATOM 0 HZ1 LYS A 16 -11.528 -0.352 3.490 1.00 21.11 H new ATOM 0 HZ2 LYS A 16 -11.762 -1.812 2.655 1.00 21.11 H new ATOM 0 HZ3 LYS A 16 -12.223 -1.683 4.284 1.00 21.11 H new ATOM 286 N LEU A 17 -8.462 -7.532 7.237 1.00 34.44 N ATOM 287 CA LEU A 17 -8.151 -8.941 7.488 1.00 2.11 C ATOM 288 C LEU A 17 -9.406 -9.798 7.728 1.00 21.11 C ATOM 289 O LEU A 17 -9.592 -10.803 7.046 1.00 34.11 O ATOM 290 CB LEU A 17 -7.195 -9.083 8.673 1.00 31.21 C ATOM 291 CG LEU A 17 -6.575 -10.471 8.841 1.00 74.32 C ATOM 292 CD1 LEU A 17 -5.580 -10.734 7.724 1.00 2.01 C ATOM 293 CD2 LEU A 17 -5.906 -10.601 10.200 1.00 43.12 C ATOM 0 H LEU A 17 -7.934 -6.880 7.818 1.00 34.44 H new ATOM 0 HA LEU A 17 -7.671 -9.313 6.583 1.00 2.11 H new ATOM 0 HB2 LEU A 17 -6.392 -8.354 8.562 1.00 31.21 H new ATOM 0 HB3 LEU A 17 -7.732 -8.829 9.587 1.00 31.21 H new ATOM 0 HG LEU A 17 -7.368 -11.217 8.785 1.00 74.32 H new ATOM 0 HD11 LEU A 17 -5.143 -11.725 7.851 1.00 2.01 H new ATOM 0 HD12 LEU A 17 -6.091 -10.684 6.762 1.00 2.01 H new ATOM 0 HD13 LEU A 17 -4.791 -9.983 7.755 1.00 2.01 H new ATOM 0 HD21 LEU A 17 -5.472 -11.596 10.298 1.00 43.12 H new ATOM 0 HD22 LEU A 17 -5.120 -9.851 10.292 1.00 43.12 H new ATOM 0 HD23 LEU A 17 -6.646 -10.449 10.986 1.00 43.12 H new ATOM 305 N PRO A 18 -10.295 -9.428 8.681 1.00 64.13 N ATOM 306 CA PRO A 18 -11.479 -10.245 9.009 1.00 60.02 C ATOM 307 C PRO A 18 -12.486 -10.358 7.859 1.00 21.31 C ATOM 308 O PRO A 18 -13.421 -11.158 7.921 1.00 71.11 O ATOM 309 CB PRO A 18 -12.113 -9.510 10.195 1.00 62.41 C ATOM 310 CG PRO A 18 -11.608 -8.113 10.100 1.00 70.20 C ATOM 311 CD PRO A 18 -10.225 -8.215 9.523 1.00 53.01 C ATOM 0 HA PRO A 18 -11.191 -11.274 9.222 1.00 60.02 H new ATOM 0 HB2 PRO A 18 -13.201 -9.540 10.141 1.00 62.41 H new ATOM 0 HB3 PRO A 18 -11.827 -9.969 11.142 1.00 62.41 H new ATOM 0 HG2 PRO A 18 -12.253 -7.507 9.464 1.00 70.20 H new ATOM 0 HG3 PRO A 18 -11.588 -7.637 11.080 1.00 70.20 H new ATOM 0 HD2 PRO A 18 -9.968 -7.333 8.937 1.00 53.01 H new ATOM 0 HD3 PRO A 18 -9.470 -8.310 10.303 1.00 53.01 H new ATOM 319 N HIS A 19 -12.297 -9.567 6.813 1.00 32.30 N ATOM 320 CA HIS A 19 -13.229 -9.567 5.691 1.00 31.35 C ATOM 321 C HIS A 19 -12.643 -10.310 4.496 1.00 2.52 C ATOM 322 O HIS A 19 -13.349 -10.613 3.530 1.00 61.13 O ATOM 323 CB HIS A 19 -13.582 -8.135 5.281 1.00 11.02 C ATOM 324 CG HIS A 19 -14.115 -7.298 6.402 1.00 32.11 C ATOM 325 ND1 HIS A 19 -15.414 -7.416 6.836 1.00 11.14 N ATOM 326 CD2 HIS A 19 -13.487 -6.349 7.136 1.00 34.04 C ATOM 327 CE1 HIS A 19 -15.546 -6.540 7.821 1.00 0.22 C ATOM 328 NE2 HIS A 19 -14.404 -5.873 8.035 1.00 54.41 N ATOM 0 H HIS A 19 -11.514 -8.921 6.716 1.00 32.30 H new ATOM 0 HA HIS A 19 -14.135 -10.079 6.014 1.00 31.35 H new ATOM 0 HB2 HIS A 19 -12.693 -7.655 4.873 1.00 11.02 H new ATOM 0 HB3 HIS A 19 -14.322 -8.168 4.481 1.00 11.02 H new ATOM 0 HD2 HIS A 19 -12.461 -6.029 7.032 1.00 34.04 H new ATOM 0 HE1 HIS A 19 -16.457 -6.384 8.380 1.00 0.22 H new ATOM 0 HE2 HIS A 19 -14.247 -5.148 8.735 1.00 54.41 H new ATOM 336 N VAL A 20 -11.356 -10.606 4.559 1.00 2.25 N ATOM 337 CA VAL A 20 -10.669 -11.213 3.431 1.00 4.54 C ATOM 338 C VAL A 20 -10.149 -12.605 3.774 1.00 13.11 C ATOM 339 O VAL A 20 -10.353 -13.105 4.882 1.00 15.53 O ATOM 340 CB VAL A 20 -9.503 -10.328 2.943 1.00 35.41 C ATOM 341 CG1 VAL A 20 -10.018 -8.970 2.490 1.00 33.12 C ATOM 342 CG2 VAL A 20 -8.459 -10.169 4.032 1.00 61.21 C ATOM 0 H VAL A 20 -10.768 -10.437 5.375 1.00 2.25 H new ATOM 0 HA VAL A 20 -11.401 -11.305 2.628 1.00 4.54 H new ATOM 0 HB VAL A 20 -9.033 -10.819 2.091 1.00 35.41 H new ATOM 0 HG11 VAL A 20 -9.182 -8.359 2.149 1.00 33.12 H new ATOM 0 HG12 VAL A 20 -10.727 -9.104 1.673 1.00 33.12 H new ATOM 0 HG13 VAL A 20 -10.515 -8.473 3.323 1.00 33.12 H new ATOM 0 HG21 VAL A 20 -7.646 -9.542 3.667 1.00 61.21 H new ATOM 0 HG22 VAL A 20 -8.913 -9.703 4.906 1.00 61.21 H new ATOM 0 HG23 VAL A 20 -8.067 -11.148 4.306 1.00 61.21 H new ATOM 352 N SER A 21 -9.490 -13.230 2.814 1.00 43.24 N ATOM 353 CA SER A 21 -8.958 -14.568 2.996 1.00 10.33 C ATOM 354 C SER A 21 -7.445 -14.567 2.798 1.00 52.52 C ATOM 355 O SER A 21 -6.857 -13.531 2.483 1.00 64.31 O ATOM 356 CB SER A 21 -9.628 -15.515 2.003 1.00 44.13 C ATOM 357 OG SER A 21 -11.039 -15.357 2.033 1.00 54.15 O ATOM 0 H SER A 21 -9.310 -12.828 1.894 1.00 43.24 H new ATOM 0 HA SER A 21 -9.167 -14.907 4.011 1.00 10.33 H new ATOM 0 HB2 SER A 21 -9.256 -15.318 0.997 1.00 44.13 H new ATOM 0 HB3 SER A 21 -9.367 -16.546 2.243 1.00 44.13 H new ATOM 0 HG SER A 21 -11.451 -15.971 1.389 1.00 54.15 H new ATOM 363 N GLU A 22 -6.817 -15.723 2.978 1.00 23.13 N ATOM 364 CA GLU A 22 -5.376 -15.855 2.786 1.00 72.03 C ATOM 365 C GLU A 22 -4.998 -15.584 1.331 1.00 71.45 C ATOM 366 O GLU A 22 -3.903 -15.098 1.042 1.00 71.12 O ATOM 367 CB GLU A 22 -4.901 -17.247 3.207 1.00 54.21 C ATOM 368 CG GLU A 22 -5.504 -18.374 2.387 1.00 60.02 C ATOM 369 CD GLU A 22 -4.971 -19.728 2.788 1.00 42.43 C ATOM 370 OE1 GLU A 22 -3.850 -20.078 2.361 1.00 55.43 O ATOM 371 OE2 GLU A 22 -5.667 -20.449 3.531 1.00 62.00 O ATOM 0 H GLU A 22 -7.284 -16.586 3.258 1.00 23.13 H new ATOM 0 HA GLU A 22 -4.881 -15.115 3.415 1.00 72.03 H new ATOM 0 HB2 GLU A 22 -3.815 -17.291 3.124 1.00 54.21 H new ATOM 0 HB3 GLU A 22 -5.147 -17.402 4.257 1.00 54.21 H new ATOM 0 HG2 GLU A 22 -6.588 -18.364 2.503 1.00 60.02 H new ATOM 0 HG3 GLU A 22 -5.295 -18.203 1.331 1.00 60.02 H new ATOM 378 N SER A 23 -5.917 -15.895 0.422 1.00 33.14 N ATOM 379 CA SER A 23 -5.739 -15.590 -0.989 1.00 71.20 C ATOM 380 C SER A 23 -5.593 -14.085 -1.176 1.00 12.14 C ATOM 381 O SER A 23 -4.867 -13.619 -2.051 1.00 0.30 O ATOM 382 CB SER A 23 -6.944 -16.101 -1.776 1.00 22.50 C ATOM 383 OG SER A 23 -7.325 -17.391 -1.328 1.00 71.25 O ATOM 0 H SER A 23 -6.797 -16.361 0.642 1.00 33.14 H new ATOM 0 HA SER A 23 -4.837 -16.080 -1.356 1.00 71.20 H new ATOM 0 HB2 SER A 23 -7.779 -15.410 -1.662 1.00 22.50 H new ATOM 0 HB3 SER A 23 -6.702 -16.136 -2.838 1.00 22.50 H new ATOM 0 HG SER A 23 -8.099 -17.701 -1.843 1.00 71.25 H new ATOM 389 N THR A 24 -6.287 -13.336 -0.330 1.00 11.44 N ATOM 390 CA THR A 24 -6.224 -11.890 -0.353 1.00 42.24 C ATOM 391 C THR A 24 -4.970 -11.404 0.371 1.00 52.05 C ATOM 392 O THR A 24 -4.373 -10.395 -0.006 1.00 35.04 O ATOM 393 CB THR A 24 -7.463 -11.283 0.327 1.00 73.03 C ATOM 394 OG1 THR A 24 -8.618 -12.090 0.049 1.00 53.43 O ATOM 395 CG2 THR A 24 -7.704 -9.859 -0.150 1.00 51.23 C ATOM 0 H THR A 24 -6.905 -13.716 0.387 1.00 11.44 H new ATOM 0 HA THR A 24 -6.193 -11.570 -1.395 1.00 42.24 H new ATOM 0 HB THR A 24 -7.285 -11.260 1.402 1.00 73.03 H new ATOM 0 HG1 THR A 24 -9.418 -11.524 0.041 1.00 53.43 H new ATOM 0 HG21 THR A 24 -8.586 -9.453 0.346 1.00 51.23 H new ATOM 0 HG22 THR A 24 -6.837 -9.243 0.090 1.00 51.23 H new ATOM 0 HG23 THR A 24 -7.862 -9.858 -1.228 1.00 51.23 H new ATOM 403 N LYS A 25 -4.576 -12.137 1.411 1.00 33.42 N ATOM 404 CA LYS A 25 -3.408 -11.782 2.211 1.00 22.44 C ATOM 405 C LYS A 25 -2.164 -11.675 1.349 1.00 2.32 C ATOM 406 O LYS A 25 -1.427 -10.698 1.442 1.00 52.51 O ATOM 407 CB LYS A 25 -3.167 -12.806 3.324 1.00 34.13 C ATOM 408 CG LYS A 25 -4.279 -12.864 4.355 1.00 11.23 C ATOM 409 CD LYS A 25 -3.947 -13.791 5.518 1.00 63.42 C ATOM 410 CE LYS A 25 -2.876 -13.213 6.438 1.00 33.20 C ATOM 411 NZ LYS A 25 -1.497 -13.357 5.892 1.00 75.21 N ATOM 0 H LYS A 25 -5.052 -12.985 1.719 1.00 33.42 H new ATOM 0 HA LYS A 25 -3.612 -10.810 2.661 1.00 22.44 H new ATOM 0 HB2 LYS A 25 -3.047 -13.793 2.877 1.00 34.13 H new ATOM 0 HB3 LYS A 25 -2.230 -12.568 3.827 1.00 34.13 H new ATOM 0 HG2 LYS A 25 -4.469 -11.861 4.737 1.00 11.23 H new ATOM 0 HG3 LYS A 25 -5.198 -13.202 3.876 1.00 11.23 H new ATOM 0 HD2 LYS A 25 -4.852 -13.983 6.095 1.00 63.42 H new ATOM 0 HD3 LYS A 25 -3.607 -14.751 5.128 1.00 63.42 H new ATOM 0 HE2 LYS A 25 -3.084 -12.157 6.609 1.00 33.20 H new ATOM 0 HE3 LYS A 25 -2.931 -13.710 7.407 1.00 33.20 H new ATOM 0 HZ1 LYS A 25 -0.841 -13.592 6.664 1.00 75.21 H new ATOM 0 HZ2 LYS A 25 -1.482 -14.116 5.182 1.00 75.21 H new ATOM 0 HZ3 LYS A 25 -1.204 -12.463 5.449 1.00 75.21 H new ATOM 425 N ARG A 26 -1.945 -12.670 0.498 1.00 24.53 N ATOM 426 CA ARG A 26 -0.746 -12.704 -0.330 1.00 51.13 C ATOM 427 C ARG A 26 -0.700 -11.511 -1.285 1.00 4.05 C ATOM 428 O ARG A 26 0.378 -11.041 -1.636 1.00 12.12 O ATOM 429 CB ARG A 26 -0.633 -14.029 -1.095 1.00 1.01 C ATOM 430 CG ARG A 26 -1.722 -14.271 -2.125 1.00 65.43 C ATOM 431 CD ARG A 26 -1.574 -15.647 -2.753 1.00 53.23 C ATOM 432 NE ARG A 26 -2.534 -15.871 -3.831 1.00 32.34 N ATOM 433 CZ ARG A 26 -3.254 -16.983 -3.967 1.00 34.10 C ATOM 434 NH1 ARG A 26 -3.175 -17.947 -3.055 1.00 71.20 N ATOM 435 NH2 ARG A 26 -4.066 -17.119 -5.008 1.00 64.21 N ATOM 0 H ARG A 26 -2.577 -13.459 0.364 1.00 24.53 H new ATOM 0 HA ARG A 26 0.115 -12.632 0.335 1.00 51.13 H new ATOM 0 HB2 ARG A 26 0.334 -14.060 -1.597 1.00 1.01 H new ATOM 0 HB3 ARG A 26 -0.645 -14.848 -0.376 1.00 1.01 H new ATOM 0 HG2 ARG A 26 -2.701 -14.185 -1.653 1.00 65.43 H new ATOM 0 HG3 ARG A 26 -1.673 -13.506 -2.899 1.00 65.43 H new ATOM 0 HD2 ARG A 26 -0.562 -15.759 -3.142 1.00 53.23 H new ATOM 0 HD3 ARG A 26 -1.708 -16.410 -1.986 1.00 53.23 H new ATOM 0 HE ARG A 26 -2.661 -15.131 -4.521 1.00 32.34 H new ATOM 0 HH11 ARG A 26 -2.561 -17.836 -2.248 1.00 71.20 H new ATOM 0 HH12 ARG A 26 -3.728 -18.797 -3.163 1.00 71.20 H new ATOM 0 HH21 ARG A 26 -4.137 -16.373 -5.700 1.00 64.21 H new ATOM 0 HH22 ARG A 26 -4.619 -17.969 -5.116 1.00 64.21 H new ATOM 449 N HIS A 27 -1.866 -11.006 -1.687 1.00 12.34 N ATOM 450 CA HIS A 27 -1.921 -9.796 -2.506 1.00 74.13 C ATOM 451 C HIS A 27 -1.413 -8.599 -1.710 1.00 35.10 C ATOM 452 O HIS A 27 -0.510 -7.883 -2.150 1.00 51.43 O ATOM 453 CB HIS A 27 -3.344 -9.520 -3.007 1.00 33.40 C ATOM 454 CG HIS A 27 -3.727 -10.305 -4.225 1.00 24.12 C ATOM 455 ND1 HIS A 27 -3.316 -9.922 -5.480 1.00 65.02 N ATOM 456 CD2 HIS A 27 -4.480 -11.423 -4.331 1.00 62.21 C ATOM 457 CE1 HIS A 27 -3.821 -10.807 -6.315 1.00 15.42 C ATOM 458 NE2 HIS A 27 -4.535 -11.735 -5.668 1.00 3.10 N ATOM 0 H HIS A 27 -2.775 -11.410 -1.462 1.00 12.34 H new ATOM 0 HA HIS A 27 -1.281 -9.954 -3.374 1.00 74.13 H new ATOM 0 HB2 HIS A 27 -4.049 -9.744 -2.207 1.00 33.40 H new ATOM 0 HB3 HIS A 27 -3.440 -8.457 -3.228 1.00 33.40 H new ATOM 0 HD2 HIS A 27 -4.947 -11.965 -3.522 1.00 62.21 H new ATOM 0 HE1 HIS A 27 -3.677 -10.786 -7.385 1.00 15.42 H new ATOM 0 HE2 HIS A 27 -5.027 -12.524 -6.087 1.00 3.10 H new ATOM 466 N TYR A 28 -1.978 -8.409 -0.521 1.00 10.12 N ATOM 467 CA TYR A 28 -1.590 -7.302 0.348 1.00 62.22 C ATOM 468 C TYR A 28 -0.134 -7.419 0.773 1.00 54.11 C ATOM 469 O TYR A 28 0.604 -6.441 0.741 1.00 12.44 O ATOM 470 CB TYR A 28 -2.475 -7.254 1.594 1.00 30.42 C ATOM 471 CG TYR A 28 -3.850 -6.667 1.370 1.00 64.45 C ATOM 472 CD1 TYR A 28 -4.865 -7.422 0.800 1.00 14.33 C ATOM 473 CD2 TYR A 28 -4.137 -5.364 1.756 1.00 74.10 C ATOM 474 CE1 TYR A 28 -6.127 -6.895 0.620 1.00 35.41 C ATOM 475 CE2 TYR A 28 -5.397 -4.829 1.576 1.00 74.23 C ATOM 476 CZ TYR A 28 -6.388 -5.599 1.008 1.00 54.01 C ATOM 477 OH TYR A 28 -7.648 -5.076 0.836 1.00 0.10 O ATOM 0 H TYR A 28 -2.708 -9.009 -0.136 1.00 10.12 H new ATOM 0 HA TYR A 28 -1.719 -6.382 -0.223 1.00 62.22 H new ATOM 0 HB2 TYR A 28 -2.586 -8.266 1.983 1.00 30.42 H new ATOM 0 HB3 TYR A 28 -1.967 -6.671 2.362 1.00 30.42 H new ATOM 0 HD1 TYR A 28 -4.664 -8.438 0.493 1.00 14.33 H new ATOM 0 HD2 TYR A 28 -3.362 -4.760 2.204 1.00 74.10 H new ATOM 0 HE1 TYR A 28 -6.907 -7.496 0.177 1.00 35.41 H new ATOM 0 HE2 TYR A 28 -5.604 -3.813 1.879 1.00 74.23 H new ATOM 0 HH TYR A 28 -7.703 -4.635 -0.037 1.00 0.10 H new ATOM 487 N GLU A 29 0.274 -8.620 1.164 1.00 33.41 N ATOM 488 CA GLU A 29 1.622 -8.842 1.674 1.00 61.13 C ATOM 489 C GLU A 29 2.675 -8.658 0.584 1.00 62.42 C ATOM 490 O GLU A 29 3.758 -8.149 0.855 1.00 73.44 O ATOM 491 CB GLU A 29 1.733 -10.226 2.313 1.00 63.04 C ATOM 492 CG GLU A 29 0.893 -10.363 3.575 1.00 4.01 C ATOM 493 CD GLU A 29 0.972 -11.741 4.197 1.00 53.44 C ATOM 494 OE1 GLU A 29 0.182 -12.624 3.798 1.00 3.34 O ATOM 495 OE2 GLU A 29 1.808 -11.949 5.097 1.00 22.21 O ATOM 0 H GLU A 29 -0.310 -9.456 1.138 1.00 33.41 H new ATOM 0 HA GLU A 29 1.814 -8.091 2.440 1.00 61.13 H new ATOM 0 HB2 GLU A 29 1.421 -10.980 1.591 1.00 63.04 H new ATOM 0 HB3 GLU A 29 2.777 -10.427 2.553 1.00 63.04 H new ATOM 0 HG2 GLU A 29 1.221 -9.623 4.305 1.00 4.01 H new ATOM 0 HG3 GLU A 29 -0.147 -10.137 3.338 1.00 4.01 H new ATOM 502 N SER A 30 2.363 -9.051 -0.648 1.00 3.02 N ATOM 503 CA SER A 30 3.285 -8.825 -1.759 1.00 12.02 C ATOM 504 C SER A 30 3.419 -7.329 -2.027 1.00 24.22 C ATOM 505 O SER A 30 4.513 -6.822 -2.287 1.00 2.40 O ATOM 506 CB SER A 30 2.815 -9.552 -3.018 1.00 31.30 C ATOM 507 OG SER A 30 2.711 -10.947 -2.788 1.00 41.24 O ATOM 0 H SER A 30 1.493 -9.520 -0.901 1.00 3.02 H new ATOM 0 HA SER A 30 4.261 -9.226 -1.484 1.00 12.02 H new ATOM 0 HB2 SER A 30 1.848 -9.158 -3.331 1.00 31.30 H new ATOM 0 HB3 SER A 30 3.514 -9.365 -3.833 1.00 31.30 H new ATOM 0 HG SER A 30 2.036 -11.115 -2.098 1.00 41.24 H new ATOM 513 N ALA A 31 2.295 -6.625 -1.941 1.00 71.53 N ATOM 514 CA ALA A 31 2.288 -5.176 -2.056 1.00 74.41 C ATOM 515 C ALA A 31 3.092 -4.561 -0.915 1.00 12.45 C ATOM 516 O ALA A 31 3.936 -3.690 -1.127 1.00 44.52 O ATOM 517 CB ALA A 31 0.855 -4.664 -2.047 1.00 25.43 C ATOM 0 H ALA A 31 1.375 -7.039 -1.791 1.00 71.53 H new ATOM 0 HA ALA A 31 2.752 -4.885 -2.999 1.00 74.41 H new ATOM 0 HB1 ALA A 31 0.856 -3.577 -2.133 1.00 25.43 H new ATOM 0 HB2 ALA A 31 0.310 -5.094 -2.887 1.00 25.43 H new ATOM 0 HB3 ALA A 31 0.371 -4.953 -1.114 1.00 25.43 H new ATOM 523 N TYR A 32 2.833 -5.055 0.290 1.00 63.54 N ATOM 524 CA TYR A 32 3.543 -4.637 1.491 1.00 71.13 C ATOM 525 C TYR A 32 5.053 -4.826 1.338 1.00 65.12 C ATOM 526 O TYR A 32 5.832 -3.993 1.790 1.00 24.02 O ATOM 527 CB TYR A 32 3.005 -5.429 2.694 1.00 10.25 C ATOM 528 CG TYR A 32 3.912 -5.458 3.905 1.00 43.11 C ATOM 529 CD1 TYR A 32 4.190 -4.307 4.630 1.00 24.22 C ATOM 530 CD2 TYR A 32 4.485 -6.653 4.327 1.00 40.53 C ATOM 531 CE1 TYR A 32 5.017 -4.345 5.735 1.00 40.35 C ATOM 532 CE2 TYR A 32 5.310 -6.697 5.432 1.00 1.33 C ATOM 533 CZ TYR A 32 5.574 -5.543 6.131 1.00 44.22 C ATOM 534 OH TYR A 32 6.403 -5.586 7.228 1.00 22.12 O ATOM 0 H TYR A 32 2.119 -5.762 0.461 1.00 63.54 H new ATOM 0 HA TYR A 32 3.371 -3.573 1.654 1.00 71.13 H new ATOM 0 HB2 TYR A 32 2.046 -5.004 2.989 1.00 10.25 H new ATOM 0 HB3 TYR A 32 2.815 -6.455 2.378 1.00 10.25 H new ATOM 0 HD1 TYR A 32 3.753 -3.368 4.325 1.00 24.22 H new ATOM 0 HD2 TYR A 32 4.281 -7.562 3.780 1.00 40.53 H new ATOM 0 HE1 TYR A 32 5.227 -3.441 6.287 1.00 40.35 H new ATOM 0 HE2 TYR A 32 5.746 -7.634 5.746 1.00 1.33 H new ATOM 0 HH TYR A 32 6.333 -6.464 7.657 1.00 22.12 H new ATOM 544 N LYS A 33 5.459 -5.914 0.689 1.00 43.44 N ATOM 545 CA LYS A 33 6.875 -6.184 0.444 1.00 24.34 C ATOM 546 C LYS A 33 7.500 -5.104 -0.409 1.00 44.13 C ATOM 547 O LYS A 33 8.613 -4.653 -0.139 1.00 60.02 O ATOM 548 CB LYS A 33 7.055 -7.533 -0.238 1.00 64.15 C ATOM 549 CG LYS A 33 6.750 -8.681 0.682 1.00 51.50 C ATOM 550 CD LYS A 33 6.734 -10.007 -0.053 1.00 25.11 C ATOM 551 CE LYS A 33 6.316 -11.138 0.868 1.00 75.14 C ATOM 552 NZ LYS A 33 6.246 -12.439 0.157 1.00 63.14 N ATOM 0 H LYS A 33 4.827 -6.625 0.322 1.00 43.44 H new ATOM 0 HA LYS A 33 7.375 -6.199 1.412 1.00 24.34 H new ATOM 0 HB2 LYS A 33 6.404 -7.586 -1.111 1.00 64.15 H new ATOM 0 HB3 LYS A 33 8.080 -7.622 -0.599 1.00 64.15 H new ATOM 0 HG2 LYS A 33 7.494 -8.716 1.478 1.00 51.50 H new ATOM 0 HG3 LYS A 33 5.783 -8.518 1.157 1.00 51.50 H new ATOM 0 HD2 LYS A 33 6.048 -9.950 -0.898 1.00 25.11 H new ATOM 0 HD3 LYS A 33 7.724 -10.213 -0.460 1.00 25.11 H new ATOM 0 HE2 LYS A 33 7.024 -11.214 1.693 1.00 75.14 H new ATOM 0 HE3 LYS A 33 5.343 -10.910 1.303 1.00 75.14 H new ATOM 0 HZ1 LYS A 33 5.957 -13.184 0.823 1.00 63.14 H new ATOM 0 HZ2 LYS A 33 5.551 -12.376 -0.615 1.00 63.14 H new ATOM 0 HZ3 LYS A 33 7.180 -12.670 -0.236 1.00 63.14 H new ATOM 566 N HIS A 34 6.792 -4.688 -1.441 1.00 12.22 N ATOM 567 CA HIS A 34 7.300 -3.639 -2.297 1.00 40.44 C ATOM 568 C HIS A 34 7.260 -2.298 -1.572 1.00 40.24 C ATOM 569 O HIS A 34 8.129 -1.440 -1.769 1.00 33.30 O ATOM 570 CB HIS A 34 6.521 -3.555 -3.613 1.00 42.22 C ATOM 571 CG HIS A 34 6.886 -4.621 -4.603 1.00 45.23 C ATOM 572 ND1 HIS A 34 7.651 -4.397 -5.730 1.00 74.10 N ATOM 573 CD2 HIS A 34 6.566 -5.939 -4.627 1.00 43.23 C ATOM 574 CE1 HIS A 34 7.765 -5.557 -6.387 1.00 51.54 C ATOM 575 NE2 HIS A 34 7.126 -6.525 -5.761 1.00 25.34 N ATOM 0 H HIS A 34 5.877 -5.055 -1.703 1.00 12.22 H new ATOM 0 HA HIS A 34 8.334 -3.883 -2.540 1.00 40.44 H new ATOM 0 HB2 HIS A 34 5.455 -3.622 -3.398 1.00 42.22 H new ATOM 0 HB3 HIS A 34 6.694 -2.578 -4.065 1.00 42.22 H new ATOM 0 HD1 HIS A 34 8.057 -3.505 -6.012 1.00 74.10 H new ATOM 0 HD2 HIS A 34 5.972 -6.453 -3.886 1.00 43.23 H new ATOM 0 HE1 HIS A 34 8.310 -5.684 -7.311 1.00 51.54 H new ATOM 583 N ILE A 35 6.248 -2.124 -0.733 1.00 41.54 N ATOM 584 CA ILE A 35 6.118 -0.920 0.073 1.00 43.03 C ATOM 585 C ILE A 35 7.262 -0.817 1.077 1.00 33.43 C ATOM 586 O ILE A 35 7.940 0.202 1.136 1.00 33.34 O ATOM 587 CB ILE A 35 4.760 -0.875 0.811 1.00 15.45 C ATOM 588 CG1 ILE A 35 3.620 -0.717 -0.200 1.00 60.24 C ATOM 589 CG2 ILE A 35 4.734 0.258 1.829 1.00 15.45 C ATOM 590 CD1 ILE A 35 2.241 -0.721 0.423 1.00 43.33 C ATOM 0 H ILE A 35 5.502 -2.806 -0.593 1.00 41.54 H new ATOM 0 HA ILE A 35 6.163 -0.068 -0.605 1.00 43.03 H new ATOM 0 HB ILE A 35 4.626 -1.813 1.349 1.00 15.45 H new ATOM 0 HG12 ILE A 35 3.758 0.216 -0.746 1.00 60.24 H new ATOM 0 HG13 ILE A 35 3.680 -1.525 -0.930 1.00 60.24 H new ATOM 0 HG21 ILE A 35 3.769 0.270 2.336 1.00 15.45 H new ATOM 0 HG22 ILE A 35 5.527 0.107 2.562 1.00 15.45 H new ATOM 0 HG23 ILE A 35 4.888 1.209 1.319 1.00 15.45 H new ATOM 0 HD11 ILE A 35 1.489 -0.605 -0.357 1.00 43.33 H new ATOM 0 HD12 ILE A 35 2.080 -1.665 0.944 1.00 43.33 H new ATOM 0 HD13 ILE A 35 2.159 0.103 1.131 1.00 43.33 H new ATOM 602 N LYS A 36 7.495 -1.886 1.834 1.00 65.30 N ATOM 603 CA LYS A 36 8.556 -1.902 2.842 1.00 51.43 C ATOM 604 C LYS A 36 9.930 -1.808 2.187 1.00 63.05 C ATOM 605 O LYS A 36 10.883 -1.339 2.796 1.00 4.25 O ATOM 606 CB LYS A 36 8.459 -3.155 3.728 1.00 20.24 C ATOM 607 CG LYS A 36 8.670 -4.469 2.994 1.00 2.22 C ATOM 608 CD LYS A 36 8.358 -5.661 3.886 1.00 31.32 C ATOM 609 CE LYS A 36 9.341 -5.780 5.041 1.00 23.55 C ATOM 610 NZ LYS A 36 8.918 -6.816 6.021 1.00 42.35 N ATOM 0 H LYS A 36 6.964 -2.754 1.770 1.00 65.30 H new ATOM 0 HA LYS A 36 8.423 -1.028 3.480 1.00 51.43 H new ATOM 0 HB2 LYS A 36 9.198 -3.077 4.526 1.00 20.24 H new ATOM 0 HB3 LYS A 36 7.478 -3.173 4.203 1.00 20.24 H new ATOM 0 HG2 LYS A 36 8.034 -4.499 2.109 1.00 2.22 H new ATOM 0 HG3 LYS A 36 9.702 -4.532 2.648 1.00 2.22 H new ATOM 0 HD2 LYS A 36 7.346 -5.565 4.279 1.00 31.32 H new ATOM 0 HD3 LYS A 36 8.383 -6.575 3.292 1.00 31.32 H new ATOM 0 HE2 LYS A 36 10.329 -6.028 4.653 1.00 23.55 H new ATOM 0 HE3 LYS A 36 9.429 -4.817 5.545 1.00 23.55 H new ATOM 0 HZ1 LYS A 36 9.668 -6.952 6.728 1.00 42.35 H new ATOM 0 HZ2 LYS A 36 8.045 -6.509 6.496 1.00 42.35 H new ATOM 0 HZ3 LYS A 36 8.744 -7.713 5.524 1.00 42.35 H new ATOM 624 N ASP A 37 10.019 -2.272 0.948 1.00 75.35 N ATOM 625 CA ASP A 37 11.244 -2.154 0.165 1.00 70.10 C ATOM 626 C ASP A 37 11.627 -0.690 -0.037 1.00 20.40 C ATOM 627 O ASP A 37 12.769 -0.294 0.203 1.00 23.23 O ATOM 628 CB ASP A 37 11.063 -2.840 -1.192 1.00 1.20 C ATOM 629 CG ASP A 37 12.196 -2.550 -2.157 1.00 64.15 C ATOM 630 OD1 ASP A 37 13.237 -3.232 -2.084 1.00 21.24 O ATOM 631 OD2 ASP A 37 12.042 -1.647 -3.002 1.00 31.00 O ATOM 0 H ASP A 37 9.253 -2.737 0.460 1.00 75.35 H new ATOM 0 HA ASP A 37 12.049 -2.643 0.713 1.00 70.10 H new ATOM 0 HB2 ASP A 37 10.988 -3.917 -1.042 1.00 1.20 H new ATOM 0 HB3 ASP A 37 10.122 -2.514 -1.636 1.00 1.20 H new ATOM 636 N HIS A 38 10.661 0.110 -0.466 1.00 1.32 N ATOM 637 CA HIS A 38 10.909 1.519 -0.759 1.00 52.42 C ATOM 638 C HIS A 38 10.752 2.379 0.490 1.00 73.01 C ATOM 639 O HIS A 38 11.615 3.196 0.812 1.00 51.51 O ATOM 640 CB HIS A 38 9.949 2.017 -1.840 1.00 63.33 C ATOM 641 CG HIS A 38 10.119 1.339 -3.163 1.00 12.05 C ATOM 642 ND1 HIS A 38 9.501 0.150 -3.482 1.00 22.03 N ATOM 643 CD2 HIS A 38 10.827 1.697 -4.257 1.00 72.51 C ATOM 644 CE1 HIS A 38 9.821 -0.191 -4.714 1.00 11.12 C ATOM 645 NE2 HIS A 38 10.624 0.731 -5.207 1.00 60.33 N ATOM 0 H HIS A 38 9.698 -0.190 -0.620 1.00 1.32 H new ATOM 0 HA HIS A 38 11.935 1.605 -1.116 1.00 52.42 H new ATOM 0 HB2 HIS A 38 8.925 1.871 -1.497 1.00 63.33 H new ATOM 0 HB3 HIS A 38 10.091 3.090 -1.972 1.00 63.33 H new ATOM 0 HD2 HIS A 38 11.439 2.580 -4.363 1.00 72.51 H new ATOM 0 HE1 HIS A 38 9.483 -1.076 -5.232 1.00 11.12 H new ATOM 0 HE2 HIS A 38 11.028 0.726 -6.143 1.00 60.33 H new ATOM 654 N PHE A 39 9.648 2.189 1.191 1.00 30.51 N ATOM 655 CA PHE A 39 9.313 3.014 2.337 1.00 43.24 C ATOM 656 C PHE A 39 9.643 2.276 3.627 1.00 1.41 C ATOM 657 O PHE A 39 8.763 1.734 4.292 1.00 15.35 O ATOM 658 CB PHE A 39 7.828 3.391 2.297 1.00 42.12 C ATOM 659 CG PHE A 39 7.388 3.957 0.973 1.00 20.53 C ATOM 660 CD1 PHE A 39 7.767 5.233 0.588 1.00 1.22 C ATOM 661 CD2 PHE A 39 6.602 3.208 0.109 1.00 32.22 C ATOM 662 CE1 PHE A 39 7.371 5.752 -0.630 1.00 31.11 C ATOM 663 CE2 PHE A 39 6.204 3.721 -1.111 1.00 5.14 C ATOM 664 CZ PHE A 39 6.589 4.996 -1.481 1.00 4.12 C ATOM 0 H PHE A 39 8.963 1.463 0.983 1.00 30.51 H new ATOM 0 HA PHE A 39 9.904 3.929 2.301 1.00 43.24 H new ATOM 0 HB2 PHE A 39 7.231 2.507 2.522 1.00 42.12 H new ATOM 0 HB3 PHE A 39 7.625 4.121 3.081 1.00 42.12 H new ATOM 0 HD1 PHE A 39 8.379 5.829 1.248 1.00 1.22 H new ATOM 0 HD2 PHE A 39 6.297 2.212 0.393 1.00 32.22 H new ATOM 0 HE1 PHE A 39 7.673 6.749 -0.916 1.00 31.11 H new ATOM 0 HE2 PHE A 39 5.593 3.127 -1.774 1.00 5.14 H new ATOM 0 HZ PHE A 39 6.279 5.400 -2.433 1.00 4.12 H new ATOM 674 N ARG A 40 10.926 2.249 3.960 1.00 74.43 N ATOM 675 CA ARG A 40 11.414 1.484 5.104 1.00 22.50 C ATOM 676 C ARG A 40 11.236 2.266 6.400 1.00 44.52 C ATOM 677 O ARG A 40 10.439 1.892 7.260 1.00 23.23 O ATOM 678 CB ARG A 40 12.885 1.125 4.891 1.00 52.01 C ATOM 679 CG ARG A 40 13.128 0.420 3.569 1.00 2.22 C ATOM 680 CD ARG A 40 14.587 0.063 3.354 1.00 53.01 C ATOM 681 NE ARG A 40 14.784 -0.588 2.059 1.00 34.14 N ATOM 682 CZ ARG A 40 15.845 -1.325 1.738 1.00 71.13 C ATOM 683 NH1 ARG A 40 16.857 -1.452 2.590 1.00 51.21 N ATOM 684 NH2 ARG A 40 15.905 -1.912 0.548 1.00 50.42 N ATOM 0 H ARG A 40 11.654 2.751 3.451 1.00 74.43 H new ATOM 0 HA ARG A 40 10.830 0.567 5.187 1.00 22.50 H new ATOM 0 HB2 ARG A 40 13.486 2.033 4.930 1.00 52.01 H new ATOM 0 HB3 ARG A 40 13.221 0.485 5.707 1.00 52.01 H new ATOM 0 HG2 ARG A 40 12.527 -0.488 3.531 1.00 2.22 H new ATOM 0 HG3 ARG A 40 12.791 1.060 2.754 1.00 2.22 H new ATOM 0 HD2 ARG A 40 15.197 0.965 3.408 1.00 53.01 H new ATOM 0 HD3 ARG A 40 14.924 -0.598 4.152 1.00 53.01 H new ATOM 0 HE ARG A 40 14.058 -0.469 1.353 1.00 34.14 H new ATOM 0 HH11 ARG A 40 16.823 -0.983 3.495 1.00 51.21 H new ATOM 0 HH12 ARG A 40 17.667 -2.018 2.339 1.00 51.21 H new ATOM 0 HH21 ARG A 40 15.140 -1.797 -0.116 1.00 50.42 H new ATOM 0 HH22 ARG A 40 16.716 -2.477 0.299 1.00 50.42 H new ATOM 698 N HIS A 41 11.977 3.355 6.534 1.00 52.20 N ATOM 699 CA HIS A 41 11.833 4.241 7.683 1.00 1.34 C ATOM 700 C HIS A 41 11.033 5.464 7.270 1.00 41.23 C ATOM 701 O HIS A 41 11.039 6.497 7.935 1.00 52.30 O ATOM 702 CB HIS A 41 13.202 4.646 8.242 1.00 42.11 C ATOM 703 CG HIS A 41 13.913 3.531 8.947 1.00 25.41 C ATOM 704 ND1 HIS A 41 15.273 3.318 8.861 1.00 24.00 N ATOM 705 CD2 HIS A 41 13.437 2.567 9.769 1.00 25.24 C ATOM 706 CE1 HIS A 41 15.600 2.272 9.598 1.00 22.15 C ATOM 707 NE2 HIS A 41 14.505 1.799 10.159 1.00 31.21 N ATOM 0 H HIS A 41 12.686 3.648 5.861 1.00 52.20 H new ATOM 0 HA HIS A 41 11.303 3.714 8.476 1.00 1.34 H new ATOM 0 HB2 HIS A 41 13.827 5.006 7.425 1.00 42.11 H new ATOM 0 HB3 HIS A 41 13.071 5.478 8.934 1.00 42.11 H new ATOM 0 HD2 HIS A 41 12.407 2.428 10.063 1.00 25.24 H new ATOM 0 HE1 HIS A 41 16.596 1.872 9.720 1.00 22.15 H new ATOM 0 HE2 HIS A 41 14.459 0.993 10.782 1.00 31.21 H new ATOM 716 N LYS A 42 10.337 5.312 6.159 1.00 51.22 N ATOM 717 CA LYS A 42 9.514 6.360 5.605 1.00 53.14 C ATOM 718 C LYS A 42 8.176 6.419 6.336 1.00 62.33 C ATOM 719 O LYS A 42 7.384 5.474 6.278 1.00 11.23 O ATOM 720 CB LYS A 42 9.299 6.072 4.126 1.00 34.13 C ATOM 721 CG LYS A 42 8.507 7.127 3.391 1.00 45.20 C ATOM 722 CD LYS A 42 9.310 8.392 3.176 1.00 35.41 C ATOM 723 CE LYS A 42 8.639 9.272 2.144 1.00 21.41 C ATOM 724 NZ LYS A 42 9.415 10.503 1.869 1.00 71.11 N ATOM 0 H LYS A 42 10.330 4.449 5.615 1.00 51.22 H new ATOM 0 HA LYS A 42 10.007 7.325 5.725 1.00 53.14 H new ATOM 0 HB2 LYS A 42 10.271 5.965 3.645 1.00 34.13 H new ATOM 0 HB3 LYS A 42 8.786 5.115 4.026 1.00 34.13 H new ATOM 0 HG2 LYS A 42 8.186 6.733 2.427 1.00 45.20 H new ATOM 0 HG3 LYS A 42 7.605 7.362 3.956 1.00 45.20 H new ATOM 0 HD2 LYS A 42 9.407 8.933 4.117 1.00 35.41 H new ATOM 0 HD3 LYS A 42 10.318 8.139 2.848 1.00 35.41 H new ATOM 0 HE2 LYS A 42 8.511 8.711 1.218 1.00 21.41 H new ATOM 0 HE3 LYS A 42 7.642 9.543 2.493 1.00 21.41 H new ATOM 0 HZ1 LYS A 42 9.292 10.776 0.873 1.00 71.11 H new ATOM 0 HZ2 LYS A 42 9.076 11.271 2.483 1.00 71.11 H new ATOM 0 HZ3 LYS A 42 10.423 10.328 2.058 1.00 71.11 H new ATOM 738 N LEU A 43 7.942 7.516 7.038 1.00 22.42 N ATOM 739 CA LEU A 43 6.709 7.698 7.791 1.00 13.43 C ATOM 740 C LEU A 43 5.515 7.833 6.852 1.00 51.54 C ATOM 741 O LEU A 43 5.649 8.316 5.726 1.00 54.44 O ATOM 742 CB LEU A 43 6.814 8.931 8.689 1.00 64.13 C ATOM 743 CG LEU A 43 7.943 8.884 9.720 1.00 25.24 C ATOM 744 CD1 LEU A 43 7.991 10.179 10.511 1.00 72.30 C ATOM 745 CD2 LEU A 43 7.767 7.696 10.654 1.00 73.01 C ATOM 0 H LEU A 43 8.593 8.299 7.103 1.00 22.42 H new ATOM 0 HA LEU A 43 6.557 6.817 8.415 1.00 13.43 H new ATOM 0 HB2 LEU A 43 6.953 9.810 8.059 1.00 64.13 H new ATOM 0 HB3 LEU A 43 5.868 9.062 9.214 1.00 64.13 H new ATOM 0 HG LEU A 43 8.888 8.766 9.190 1.00 25.24 H new ATOM 0 HD11 LEU A 43 8.799 10.130 11.240 1.00 72.30 H new ATOM 0 HD12 LEU A 43 8.165 11.014 9.832 1.00 72.30 H new ATOM 0 HD13 LEU A 43 7.043 10.324 11.029 1.00 72.30 H new ATOM 0 HD21 LEU A 43 8.580 7.680 11.380 1.00 73.01 H new ATOM 0 HD22 LEU A 43 6.815 7.783 11.177 1.00 73.01 H new ATOM 0 HD23 LEU A 43 7.780 6.773 10.075 1.00 73.01 H new ATOM 757 N LEU A 44 4.349 7.414 7.334 1.00 4.20 N ATOM 758 CA LEU A 44 3.124 7.413 6.533 1.00 22.10 C ATOM 759 C LEU A 44 2.787 8.807 6.002 1.00 12.22 C ATOM 760 O LEU A 44 2.294 8.958 4.888 1.00 53.24 O ATOM 761 CB LEU A 44 1.957 6.890 7.381 1.00 64.10 C ATOM 762 CG LEU A 44 0.579 6.953 6.716 1.00 21.44 C ATOM 763 CD1 LEU A 44 0.498 5.985 5.550 1.00 34.51 C ATOM 764 CD2 LEU A 44 -0.515 6.662 7.728 1.00 5.25 C ATOM 0 H LEU A 44 4.224 7.067 8.285 1.00 4.20 H new ATOM 0 HA LEU A 44 3.288 6.761 5.675 1.00 22.10 H new ATOM 0 HB2 LEU A 44 2.163 5.855 7.652 1.00 64.10 H new ATOM 0 HB3 LEU A 44 1.920 7.461 8.309 1.00 64.10 H new ATOM 0 HG LEU A 44 0.433 7.962 6.331 1.00 21.44 H new ATOM 0 HD11 LEU A 44 -0.490 6.047 5.093 1.00 34.51 H new ATOM 0 HD12 LEU A 44 1.257 6.242 4.811 1.00 34.51 H new ATOM 0 HD13 LEU A 44 0.669 4.970 5.908 1.00 34.51 H new ATOM 0 HD21 LEU A 44 -1.487 6.711 7.237 1.00 5.25 H new ATOM 0 HD22 LEU A 44 -0.369 5.666 8.145 1.00 5.25 H new ATOM 0 HD23 LEU A 44 -0.475 7.400 8.529 1.00 5.25 H new ATOM 776 N LYS A 45 3.080 9.820 6.795 1.00 35.55 N ATOM 777 CA LYS A 45 2.657 11.181 6.489 1.00 10.34 C ATOM 778 C LYS A 45 3.714 11.957 5.709 1.00 33.22 C ATOM 779 O LYS A 45 3.580 13.164 5.512 1.00 50.23 O ATOM 780 CB LYS A 45 2.312 11.906 7.795 1.00 13.52 C ATOM 781 CG LYS A 45 3.358 11.732 8.894 1.00 22.34 C ATOM 782 CD LYS A 45 4.569 12.638 8.699 1.00 52.12 C ATOM 783 CE LYS A 45 4.206 14.104 8.877 1.00 65.35 C ATOM 784 NZ LYS A 45 3.742 14.396 10.259 1.00 24.12 N ATOM 0 H LYS A 45 3.612 9.729 7.661 1.00 35.55 H new ATOM 0 HA LYS A 45 1.776 11.125 5.849 1.00 10.34 H new ATOM 0 HB2 LYS A 45 2.190 12.969 7.588 1.00 13.52 H new ATOM 0 HB3 LYS A 45 1.352 11.540 8.159 1.00 13.52 H new ATOM 0 HG2 LYS A 45 2.902 11.944 9.861 1.00 22.34 H new ATOM 0 HG3 LYS A 45 3.686 10.693 8.917 1.00 22.34 H new ATOM 0 HD2 LYS A 45 5.346 12.366 9.413 1.00 52.12 H new ATOM 0 HD3 LYS A 45 4.983 12.483 7.703 1.00 52.12 H new ATOM 0 HE2 LYS A 45 5.073 14.723 8.647 1.00 65.35 H new ATOM 0 HE3 LYS A 45 3.424 14.373 8.167 1.00 65.35 H new ATOM 0 HZ1 LYS A 45 3.764 15.423 10.423 1.00 24.12 H new ATOM 0 HZ2 LYS A 45 2.770 14.046 10.380 1.00 24.12 H new ATOM 0 HZ3 LYS A 45 4.367 13.923 10.942 1.00 24.12 H new ATOM 798 N ASP A 46 4.757 11.273 5.264 1.00 61.53 N ATOM 799 CA ASP A 46 5.862 11.948 4.590 1.00 53.13 C ATOM 800 C ASP A 46 5.931 11.566 3.111 1.00 52.33 C ATOM 801 O ASP A 46 6.778 12.068 2.370 1.00 11.52 O ATOM 802 CB ASP A 46 7.188 11.615 5.286 1.00 63.45 C ATOM 803 CG ASP A 46 8.329 12.505 4.830 1.00 14.43 C ATOM 804 OD1 ASP A 46 8.468 13.619 5.373 1.00 51.12 O ATOM 805 OD2 ASP A 46 9.084 12.104 3.919 1.00 45.24 O ATOM 0 H ASP A 46 4.864 10.263 5.354 1.00 61.53 H new ATOM 0 HA ASP A 46 5.686 13.022 4.650 1.00 53.13 H new ATOM 0 HB2 ASP A 46 7.063 11.716 6.364 1.00 63.45 H new ATOM 0 HB3 ASP A 46 7.445 10.574 5.091 1.00 63.45 H new ATOM 810 N ILE A 47 5.029 10.692 2.680 1.00 30.43 N ATOM 811 CA ILE A 47 5.049 10.189 1.308 1.00 45.42 C ATOM 812 C ILE A 47 4.777 11.312 0.307 1.00 4.43 C ATOM 813 O ILE A 47 3.726 11.950 0.349 1.00 41.13 O ATOM 814 CB ILE A 47 3.997 9.075 1.082 1.00 75.03 C ATOM 815 CG1 ILE A 47 4.008 8.058 2.229 1.00 4.32 C ATOM 816 CG2 ILE A 47 4.255 8.372 -0.245 1.00 4.51 C ATOM 817 CD1 ILE A 47 5.309 7.301 2.371 1.00 0.11 C ATOM 0 H ILE A 47 4.276 10.317 3.257 1.00 30.43 H new ATOM 0 HA ILE A 47 6.046 9.777 1.150 1.00 45.42 H new ATOM 0 HB ILE A 47 3.012 9.542 1.055 1.00 75.03 H new ATOM 0 HG12 ILE A 47 3.799 8.578 3.164 1.00 4.32 H new ATOM 0 HG13 ILE A 47 3.199 7.344 2.074 1.00 4.32 H new ATOM 0 HG21 ILE A 47 3.510 7.591 -0.394 1.00 4.51 H new ATOM 0 HG22 ILE A 47 4.190 9.095 -1.058 1.00 4.51 H new ATOM 0 HG23 ILE A 47 5.250 7.927 -0.234 1.00 4.51 H new ATOM 0 HD11 ILE A 47 5.234 6.602 3.204 1.00 0.11 H new ATOM 0 HD12 ILE A 47 5.512 6.750 1.453 1.00 0.11 H new ATOM 0 HD13 ILE A 47 6.120 8.004 2.559 1.00 0.11 H new ATOM 829 N LYS A 48 5.730 11.560 -0.584 1.00 43.05 N ATOM 830 CA LYS A 48 5.523 12.510 -1.664 1.00 11.33 C ATOM 831 C LYS A 48 4.940 11.792 -2.874 1.00 64.23 C ATOM 832 O LYS A 48 5.204 10.610 -3.091 1.00 31.34 O ATOM 833 CB LYS A 48 6.832 13.217 -2.039 1.00 2.34 C ATOM 834 CG LYS A 48 6.916 14.656 -1.537 1.00 12.52 C ATOM 835 CD LYS A 48 6.942 14.739 -0.016 1.00 25.21 C ATOM 836 CE LYS A 48 8.295 14.337 0.553 1.00 51.12 C ATOM 837 NZ LYS A 48 8.324 14.443 2.036 1.00 4.42 N ATOM 0 H LYS A 48 6.649 11.117 -0.578 1.00 43.05 H new ATOM 0 HA LYS A 48 4.821 13.271 -1.325 1.00 11.33 H new ATOM 0 HB2 LYS A 48 7.670 12.650 -1.633 1.00 2.34 H new ATOM 0 HB3 LYS A 48 6.939 13.213 -3.124 1.00 2.34 H new ATOM 0 HG2 LYS A 48 7.813 15.127 -1.939 1.00 12.52 H new ATOM 0 HG3 LYS A 48 6.063 15.220 -1.915 1.00 12.52 H new ATOM 0 HD2 LYS A 48 6.705 15.756 0.296 1.00 25.21 H new ATOM 0 HD3 LYS A 48 6.168 14.091 0.396 1.00 25.21 H new ATOM 0 HE2 LYS A 48 8.524 13.313 0.257 1.00 51.12 H new ATOM 0 HE3 LYS A 48 9.072 14.973 0.128 1.00 51.12 H new ATOM 0 HZ1 LYS A 48 9.309 14.412 2.367 1.00 4.42 H new ATOM 0 HZ2 LYS A 48 7.889 15.341 2.328 1.00 4.42 H new ATOM 0 HZ3 LYS A 48 7.794 13.650 2.451 1.00 4.42 H new ATOM 851 N ARG A 49 4.147 12.505 -3.661 1.00 4.21 N ATOM 852 CA ARG A 49 3.459 11.899 -4.795 1.00 74.33 C ATOM 853 C ARG A 49 4.439 11.534 -5.906 1.00 23.31 C ATOM 854 O ARG A 49 4.164 10.656 -6.720 1.00 72.43 O ATOM 855 CB ARG A 49 2.376 12.838 -5.332 1.00 51.53 C ATOM 856 CG ARG A 49 2.916 14.145 -5.884 1.00 13.33 C ATOM 857 CD ARG A 49 1.795 15.058 -6.344 1.00 13.21 C ATOM 858 NE ARG A 49 2.308 16.292 -6.925 1.00 45.22 N ATOM 859 CZ ARG A 49 1.623 17.428 -6.990 1.00 73.23 C ATOM 860 NH1 ARG A 49 0.407 17.512 -6.460 1.00 42.33 N ATOM 861 NH2 ARG A 49 2.177 18.493 -7.552 1.00 2.21 N ATOM 0 H ARG A 49 3.964 13.501 -3.537 1.00 4.21 H new ATOM 0 HA ARG A 49 2.987 10.981 -4.445 1.00 74.33 H new ATOM 0 HB2 ARG A 49 1.820 12.325 -6.117 1.00 51.53 H new ATOM 0 HB3 ARG A 49 1.669 13.057 -4.532 1.00 51.53 H new ATOM 0 HG2 ARG A 49 3.506 14.649 -5.118 1.00 13.33 H new ATOM 0 HG3 ARG A 49 3.586 13.940 -6.719 1.00 13.33 H new ATOM 0 HD2 ARG A 49 1.181 14.538 -7.079 1.00 13.21 H new ATOM 0 HD3 ARG A 49 1.149 15.295 -5.499 1.00 13.21 H new ATOM 0 HE ARG A 49 3.254 16.283 -7.306 1.00 45.22 H new ATOM 0 HH11 ARG A 49 -0.006 16.701 -6.000 1.00 42.33 H new ATOM 0 HH12 ARG A 49 -0.113 18.388 -6.514 1.00 42.33 H new ATOM 0 HH21 ARG A 49 3.122 18.436 -7.930 1.00 2.21 H new ATOM 0 HH22 ARG A 49 1.658 19.369 -7.606 1.00 2.21 H new ATOM 875 N THR A 50 5.585 12.199 -5.926 1.00 44.15 N ATOM 876 CA THR A 50 6.585 11.948 -6.947 1.00 63.13 C ATOM 877 C THR A 50 7.224 10.576 -6.764 1.00 45.02 C ATOM 878 O THR A 50 7.383 9.824 -7.725 1.00 40.40 O ATOM 879 CB THR A 50 7.670 13.036 -6.930 1.00 23.24 C ATOM 880 OG1 THR A 50 8.104 13.266 -5.584 1.00 35.13 O ATOM 881 CG2 THR A 50 7.145 14.332 -7.528 1.00 32.12 C ATOM 0 H THR A 50 5.843 12.915 -5.247 1.00 44.15 H new ATOM 0 HA THR A 50 6.080 11.970 -7.913 1.00 63.13 H new ATOM 0 HB THR A 50 8.512 12.693 -7.532 1.00 23.24 H new ATOM 0 HG1 THR A 50 8.797 13.959 -5.578 1.00 35.13 H new ATOM 0 HG21 THR A 50 7.930 15.088 -7.505 1.00 32.12 H new ATOM 0 HG22 THR A 50 6.838 14.159 -8.559 1.00 32.12 H new ATOM 0 HG23 THR A 50 6.290 14.680 -6.948 1.00 32.12 H new ATOM 889 N GLU A 51 7.570 10.245 -5.524 1.00 41.03 N ATOM 890 CA GLU A 51 8.170 8.952 -5.217 1.00 14.42 C ATOM 891 C GLU A 51 7.110 7.853 -5.258 1.00 44.02 C ATOM 892 O GLU A 51 7.404 6.703 -5.591 1.00 5.41 O ATOM 893 CB GLU A 51 8.861 8.988 -3.848 1.00 64.12 C ATOM 894 CG GLU A 51 7.911 9.208 -2.680 1.00 51.25 C ATOM 895 CD GLU A 51 8.633 9.482 -1.378 1.00 54.01 C ATOM 896 OE1 GLU A 51 9.467 8.652 -0.966 1.00 10.12 O ATOM 897 OE2 GLU A 51 8.365 10.534 -0.755 1.00 35.14 O ATOM 0 H GLU A 51 7.445 10.854 -4.716 1.00 41.03 H new ATOM 0 HA GLU A 51 8.925 8.732 -5.972 1.00 14.42 H new ATOM 0 HB2 GLU A 51 9.394 8.050 -3.697 1.00 64.12 H new ATOM 0 HB3 GLU A 51 9.608 9.782 -3.850 1.00 64.12 H new ATOM 0 HG2 GLU A 51 7.251 10.046 -2.907 1.00 51.25 H new ATOM 0 HG3 GLU A 51 7.279 8.328 -2.561 1.00 51.25 H new ATOM 904 N TYR A 52 5.877 8.221 -4.924 1.00 12.13 N ATOM 905 CA TYR A 52 4.745 7.306 -5.014 1.00 0.22 C ATOM 906 C TYR A 52 4.556 6.861 -6.461 1.00 31.10 C ATOM 907 O TYR A 52 4.273 5.695 -6.740 1.00 4.12 O ATOM 908 CB TYR A 52 3.481 7.999 -4.495 1.00 71.14 C ATOM 909 CG TYR A 52 2.250 7.119 -4.467 1.00 53.31 C ATOM 910 CD1 TYR A 52 2.129 6.095 -3.537 1.00 65.55 C ATOM 911 CD2 TYR A 52 1.202 7.324 -5.357 1.00 44.14 C ATOM 912 CE1 TYR A 52 1.001 5.301 -3.497 1.00 63.34 C ATOM 913 CE2 TYR A 52 0.071 6.531 -5.323 1.00 12.13 C ATOM 914 CZ TYR A 52 -0.025 5.521 -4.392 1.00 41.44 C ATOM 915 OH TYR A 52 -1.154 4.737 -4.344 1.00 25.32 O ATOM 0 H TYR A 52 5.636 9.153 -4.586 1.00 12.13 H new ATOM 0 HA TYR A 52 4.938 6.425 -4.402 1.00 0.22 H new ATOM 0 HB2 TYR A 52 3.672 8.368 -3.487 1.00 71.14 H new ATOM 0 HB3 TYR A 52 3.276 8.869 -5.119 1.00 71.14 H new ATOM 0 HD1 TYR A 52 2.930 5.917 -2.834 1.00 65.55 H new ATOM 0 HD2 TYR A 52 1.273 8.116 -6.087 1.00 44.14 H new ATOM 0 HE1 TYR A 52 0.922 4.509 -2.767 1.00 63.34 H new ATOM 0 HE2 TYR A 52 -0.733 6.702 -6.023 1.00 12.13 H new ATOM 0 HH TYR A 52 -1.713 4.920 -5.128 1.00 25.32 H new ATOM 925 N GLN A 53 4.732 7.807 -7.373 1.00 35.10 N ATOM 926 CA GLN A 53 4.668 7.535 -8.800 1.00 4.11 C ATOM 927 C GLN A 53 5.768 6.539 -9.179 1.00 32.54 C ATOM 928 O GLN A 53 5.530 5.574 -9.905 1.00 70.11 O ATOM 929 CB GLN A 53 4.837 8.855 -9.568 1.00 52.12 C ATOM 930 CG GLN A 53 4.148 8.913 -10.928 1.00 1.25 C ATOM 931 CD GLN A 53 4.737 7.966 -11.950 1.00 73.31 C ATOM 932 OE1 GLN A 53 5.702 8.303 -12.640 1.00 51.01 O ATOM 933 NE2 GLN A 53 4.142 6.790 -12.075 1.00 61.31 N ATOM 0 H GLN A 53 4.923 8.782 -7.144 1.00 35.10 H new ATOM 0 HA GLN A 53 3.704 7.097 -9.059 1.00 4.11 H new ATOM 0 HB2 GLN A 53 4.453 9.667 -8.950 1.00 52.12 H new ATOM 0 HB3 GLN A 53 5.902 9.039 -9.711 1.00 52.12 H new ATOM 0 HG2 GLN A 53 3.090 8.683 -10.800 1.00 1.25 H new ATOM 0 HG3 GLN A 53 4.208 9.931 -11.312 1.00 1.25 H new ATOM 0 HE21 GLN A 53 3.346 6.555 -11.481 1.00 61.31 H new ATOM 0 HE22 GLN A 53 4.479 6.119 -12.765 1.00 61.31 H new ATOM 942 N LYS A 54 6.965 6.759 -8.639 1.00 24.51 N ATOM 943 CA LYS A 54 8.118 5.911 -8.942 1.00 20.01 C ATOM 944 C LYS A 54 7.903 4.499 -8.405 1.00 32.45 C ATOM 945 O LYS A 54 8.355 3.516 -8.996 1.00 4.41 O ATOM 946 CB LYS A 54 9.401 6.507 -8.347 1.00 4.00 C ATOM 947 CG LYS A 54 9.613 7.974 -8.693 1.00 10.04 C ATOM 948 CD LYS A 54 9.395 8.226 -10.172 1.00 21.50 C ATOM 949 CE LYS A 54 9.456 9.705 -10.512 1.00 24.22 C ATOM 950 NZ LYS A 54 9.149 9.949 -11.946 1.00 31.15 N ATOM 0 H LYS A 54 7.163 7.519 -7.988 1.00 24.51 H new ATOM 0 HA LYS A 54 8.224 5.862 -10.026 1.00 20.01 H new ATOM 0 HB2 LYS A 54 9.372 6.399 -7.263 1.00 4.00 H new ATOM 0 HB3 LYS A 54 10.256 5.932 -8.702 1.00 4.00 H new ATOM 0 HG2 LYS A 54 8.927 8.590 -8.112 1.00 10.04 H new ATOM 0 HG3 LYS A 54 10.624 8.273 -8.416 1.00 10.04 H new ATOM 0 HD2 LYS A 54 10.151 7.690 -10.746 1.00 21.50 H new ATOM 0 HD3 LYS A 54 8.426 7.825 -10.469 1.00 21.50 H new ATOM 0 HE2 LYS A 54 8.748 10.252 -9.889 1.00 24.22 H new ATOM 0 HE3 LYS A 54 10.449 10.092 -10.281 1.00 24.22 H new ATOM 0 HZ1 LYS A 54 9.200 10.969 -12.143 1.00 31.15 H new ATOM 0 HZ2 LYS A 54 9.840 9.447 -12.539 1.00 31.15 H new ATOM 0 HZ3 LYS A 54 8.192 9.602 -12.160 1.00 31.15 H new ATOM 964 N PHE A 55 7.211 4.414 -7.278 1.00 51.22 N ATOM 965 CA PHE A 55 6.851 3.135 -6.684 1.00 33.31 C ATOM 966 C PHE A 55 5.963 2.335 -7.633 1.00 22.15 C ATOM 967 O PHE A 55 6.173 1.137 -7.839 1.00 43.22 O ATOM 968 CB PHE A 55 6.137 3.370 -5.347 1.00 42.23 C ATOM 969 CG PHE A 55 5.498 2.141 -4.766 1.00 24.12 C ATOM 970 CD1 PHE A 55 6.268 1.159 -4.169 1.00 22.13 C ATOM 971 CD2 PHE A 55 4.123 1.968 -4.824 1.00 10.50 C ATOM 972 CE1 PHE A 55 5.681 0.027 -3.638 1.00 44.03 C ATOM 973 CE2 PHE A 55 3.532 0.840 -4.295 1.00 3.32 C ATOM 974 CZ PHE A 55 4.311 -0.133 -3.701 1.00 33.12 C ATOM 0 H PHE A 55 6.885 5.225 -6.752 1.00 51.22 H new ATOM 0 HA PHE A 55 7.759 2.559 -6.504 1.00 33.31 H new ATOM 0 HB2 PHE A 55 6.855 3.766 -4.629 1.00 42.23 H new ATOM 0 HB3 PHE A 55 5.371 4.133 -5.486 1.00 42.23 H new ATOM 0 HD1 PHE A 55 7.340 1.279 -4.118 1.00 22.13 H new ATOM 0 HD2 PHE A 55 3.509 2.725 -5.289 1.00 10.50 H new ATOM 0 HE1 PHE A 55 6.293 -0.732 -3.174 1.00 44.03 H new ATOM 0 HE2 PHE A 55 2.460 0.718 -4.345 1.00 3.32 H new ATOM 0 HZ PHE A 55 3.850 -1.017 -3.287 1.00 33.12 H new ATOM 984 N LEU A 56 4.985 3.013 -8.217 1.00 23.24 N ATOM 985 CA LEU A 56 4.027 2.369 -9.105 1.00 32.30 C ATOM 986 C LEU A 56 4.684 1.933 -10.411 1.00 41.11 C ATOM 987 O LEU A 56 4.388 0.855 -10.926 1.00 21.20 O ATOM 988 CB LEU A 56 2.857 3.309 -9.389 1.00 31.03 C ATOM 989 CG LEU A 56 2.007 3.664 -8.170 1.00 61.40 C ATOM 990 CD1 LEU A 56 0.937 4.669 -8.551 1.00 25.32 C ATOM 991 CD2 LEU A 56 1.373 2.415 -7.577 1.00 11.23 C ATOM 0 H LEU A 56 4.834 4.014 -8.091 1.00 23.24 H new ATOM 0 HA LEU A 56 3.654 1.476 -8.605 1.00 32.30 H new ATOM 0 HB2 LEU A 56 3.247 4.230 -9.823 1.00 31.03 H new ATOM 0 HB3 LEU A 56 2.215 2.850 -10.140 1.00 31.03 H new ATOM 0 HG LEU A 56 2.655 4.111 -7.416 1.00 61.40 H new ATOM 0 HD11 LEU A 56 0.338 4.913 -7.673 1.00 25.32 H new ATOM 0 HD12 LEU A 56 1.408 5.575 -8.933 1.00 25.32 H new ATOM 0 HD13 LEU A 56 0.294 4.242 -9.321 1.00 25.32 H new ATOM 0 HD21 LEU A 56 0.772 2.689 -6.710 1.00 11.23 H new ATOM 0 HD22 LEU A 56 0.737 1.940 -8.324 1.00 11.23 H new ATOM 0 HD23 LEU A 56 2.155 1.720 -7.271 1.00 11.23 H new ATOM 1003 N ASN A 57 5.579 2.764 -10.938 1.00 25.20 N ATOM 1004 CA ASN A 57 6.282 2.443 -12.181 1.00 35.25 C ATOM 1005 C ASN A 57 7.065 1.147 -12.041 1.00 34.21 C ATOM 1006 O ASN A 57 7.064 0.305 -12.942 1.00 62.45 O ATOM 1007 CB ASN A 57 7.238 3.569 -12.585 1.00 64.40 C ATOM 1008 CG ASN A 57 6.518 4.824 -13.026 1.00 23.05 C ATOM 1009 OD1 ASN A 57 5.401 4.772 -13.542 1.00 71.13 O ATOM 1010 ND2 ASN A 57 7.161 5.961 -12.837 1.00 40.11 N ATOM 0 H ASN A 57 5.835 3.662 -10.527 1.00 25.20 H new ATOM 0 HA ASN A 57 5.526 2.326 -12.958 1.00 35.25 H new ATOM 0 HB2 ASN A 57 7.888 3.806 -11.743 1.00 64.40 H new ATOM 0 HB3 ASN A 57 7.879 3.221 -13.395 1.00 64.40 H new ATOM 0 HD21 ASN A 57 6.734 6.842 -13.122 1.00 40.11 H new ATOM 0 HD22 ASN A 57 8.085 5.959 -12.406 1.00 40.11 H new ATOM 1017 N GLU A 58 7.727 0.989 -10.903 1.00 34.40 N ATOM 1018 CA GLU A 58 8.525 -0.197 -10.640 1.00 24.44 C ATOM 1019 C GLU A 58 7.621 -1.405 -10.405 1.00 60.51 C ATOM 1020 O GLU A 58 7.920 -2.521 -10.840 1.00 13.32 O ATOM 1021 CB GLU A 58 9.415 0.038 -9.422 1.00 74.12 C ATOM 1022 CG GLU A 58 10.464 -1.035 -9.206 1.00 71.43 C ATOM 1023 CD GLU A 58 11.262 -0.801 -7.944 1.00 42.12 C ATOM 1024 OE1 GLU A 58 11.603 0.367 -7.660 1.00 22.41 O ATOM 1025 OE2 GLU A 58 11.529 -1.775 -7.212 1.00 14.05 O ATOM 0 H GLU A 58 7.726 1.672 -10.145 1.00 34.40 H new ATOM 0 HA GLU A 58 9.153 -0.398 -11.508 1.00 24.44 H new ATOM 0 HB2 GLU A 58 9.913 1.002 -9.530 1.00 74.12 H new ATOM 0 HB3 GLU A 58 8.787 0.101 -8.533 1.00 74.12 H new ATOM 0 HG2 GLU A 58 9.980 -2.010 -9.153 1.00 71.43 H new ATOM 0 HG3 GLU A 58 11.138 -1.060 -10.062 1.00 71.43 H new ATOM 1032 N TYR A 59 6.506 -1.178 -9.722 1.00 15.21 N ATOM 1033 CA TYR A 59 5.564 -2.249 -9.430 1.00 12.13 C ATOM 1034 C TYR A 59 4.895 -2.729 -10.714 1.00 52.22 C ATOM 1035 O TYR A 59 4.623 -3.920 -10.881 1.00 65.32 O ATOM 1036 CB TYR A 59 4.509 -1.773 -8.428 1.00 74.22 C ATOM 1037 CG TYR A 59 3.685 -2.894 -7.840 1.00 12.24 C ATOM 1038 CD1 TYR A 59 4.150 -3.617 -6.752 1.00 71.41 C ATOM 1039 CD2 TYR A 59 2.448 -3.233 -8.374 1.00 73.43 C ATOM 1040 CE1 TYR A 59 3.407 -4.645 -6.208 1.00 52.13 C ATOM 1041 CE2 TYR A 59 1.699 -4.262 -7.836 1.00 34.34 C ATOM 1042 CZ TYR A 59 2.184 -4.964 -6.753 1.00 74.31 C ATOM 1043 OH TYR A 59 1.445 -5.992 -6.219 1.00 60.02 O ATOM 0 H TYR A 59 6.233 -0.264 -9.361 1.00 15.21 H new ATOM 0 HA TYR A 59 6.111 -3.082 -8.989 1.00 12.13 H new ATOM 0 HB2 TYR A 59 5.004 -1.235 -7.620 1.00 74.22 H new ATOM 0 HB3 TYR A 59 3.844 -1.065 -8.922 1.00 74.22 H new ATOM 0 HD1 TYR A 59 5.110 -3.371 -6.323 1.00 71.41 H new ATOM 0 HD2 TYR A 59 2.066 -2.684 -9.222 1.00 73.43 H new ATOM 0 HE1 TYR A 59 3.783 -5.196 -5.359 1.00 52.13 H new ATOM 0 HE2 TYR A 59 0.739 -4.515 -8.261 1.00 34.34 H new ATOM 0 HH TYR A 59 0.583 -5.647 -5.907 1.00 60.02 H new ATOM 1053 N GLY A 60 4.659 -1.794 -11.625 1.00 12.04 N ATOM 1054 CA GLY A 60 4.029 -2.114 -12.891 1.00 31.11 C ATOM 1055 C GLY A 60 4.956 -2.851 -13.838 1.00 33.22 C ATOM 1056 O GLY A 60 4.545 -3.260 -14.921 1.00 54.55 O ATOM 0 H GLY A 60 4.896 -0.809 -11.507 1.00 12.04 H new ATOM 0 HA2 GLY A 60 3.144 -2.724 -12.708 1.00 31.11 H new ATOM 0 HA3 GLY A 60 3.689 -1.194 -13.366 1.00 31.11 H new ATOM 1060 N LEU A 61 6.214 -2.999 -13.444 1.00 44.25 N ATOM 1061 CA LEU A 61 7.174 -3.771 -14.224 1.00 44.24 C ATOM 1062 C LEU A 61 7.168 -5.229 -13.788 1.00 64.20 C ATOM 1063 O LEU A 61 7.586 -6.113 -14.532 1.00 44.20 O ATOM 1064 CB LEU A 61 8.587 -3.202 -14.059 1.00 31.02 C ATOM 1065 CG LEU A 61 8.843 -1.853 -14.730 1.00 32.43 C ATOM 1066 CD1 LEU A 61 10.221 -1.331 -14.357 1.00 43.20 C ATOM 1067 CD2 LEU A 61 8.719 -1.981 -16.240 1.00 22.44 C ATOM 0 H LEU A 61 6.594 -2.595 -12.588 1.00 44.25 H new ATOM 0 HA LEU A 61 6.881 -3.706 -15.272 1.00 44.24 H new ATOM 0 HB2 LEU A 61 8.796 -3.102 -12.994 1.00 31.02 H new ATOM 0 HB3 LEU A 61 9.298 -3.925 -14.457 1.00 31.02 H new ATOM 0 HG LEU A 61 8.094 -1.143 -14.379 1.00 32.43 H new ATOM 0 HD11 LEU A 61 10.389 -0.370 -14.842 1.00 43.20 H new ATOM 0 HD12 LEU A 61 10.283 -1.208 -13.276 1.00 43.20 H new ATOM 0 HD13 LEU A 61 10.980 -2.041 -14.685 1.00 43.20 H new ATOM 0 HD21 LEU A 61 8.904 -1.012 -16.704 1.00 22.44 H new ATOM 0 HD22 LEU A 61 9.449 -2.703 -16.605 1.00 22.44 H new ATOM 0 HD23 LEU A 61 7.715 -2.320 -16.495 1.00 22.44 H new ATOM 1079 N THR A 62 6.687 -5.475 -12.580 1.00 61.32 N ATOM 1080 CA THR A 62 6.761 -6.802 -11.993 1.00 43.15 C ATOM 1081 C THR A 62 5.388 -7.460 -11.879 1.00 20.21 C ATOM 1082 O THR A 62 5.285 -8.674 -11.693 1.00 65.13 O ATOM 1083 CB THR A 62 7.413 -6.736 -10.598 1.00 3.10 C ATOM 1084 OG1 THR A 62 6.877 -5.626 -9.856 1.00 42.11 O ATOM 1085 CG2 THR A 62 8.923 -6.596 -10.711 1.00 11.52 C ATOM 0 H THR A 62 6.242 -4.774 -11.988 1.00 61.32 H new ATOM 0 HA THR A 62 7.372 -7.410 -12.660 1.00 43.15 H new ATOM 0 HB THR A 62 7.190 -7.665 -10.073 1.00 3.10 H new ATOM 0 HG1 THR A 62 6.041 -5.896 -9.422 1.00 42.11 H new ATOM 0 HG21 THR A 62 9.360 -6.552 -9.713 1.00 11.52 H new ATOM 0 HG22 THR A 62 9.329 -7.454 -11.247 1.00 11.52 H new ATOM 0 HG23 THR A 62 9.164 -5.682 -11.254 1.00 11.52 H new ATOM 1093 N HIS A 63 4.329 -6.671 -11.988 1.00 34.15 N ATOM 1094 CA HIS A 63 2.983 -7.188 -11.780 1.00 62.22 C ATOM 1095 C HIS A 63 2.023 -6.672 -12.845 1.00 51.33 C ATOM 1096 O HIS A 63 2.314 -5.694 -13.532 1.00 74.05 O ATOM 1097 CB HIS A 63 2.485 -6.812 -10.379 1.00 12.12 C ATOM 1098 CG HIS A 63 3.267 -7.456 -9.269 1.00 74.01 C ATOM 1099 ND1 HIS A 63 4.459 -6.948 -8.790 1.00 41.03 N ATOM 1100 CD2 HIS A 63 3.028 -8.581 -8.550 1.00 73.33 C ATOM 1101 CE1 HIS A 63 4.915 -7.731 -7.831 1.00 1.24 C ATOM 1102 NE2 HIS A 63 4.067 -8.726 -7.665 1.00 34.13 N ATOM 0 H HIS A 63 4.374 -5.678 -12.217 1.00 34.15 H new ATOM 0 HA HIS A 63 3.019 -8.274 -11.863 1.00 62.22 H new ATOM 0 HB2 HIS A 63 2.532 -5.729 -10.264 1.00 12.12 H new ATOM 0 HB3 HIS A 63 1.437 -7.097 -10.287 1.00 12.12 H new ATOM 0 HD2 HIS A 63 2.179 -9.240 -8.654 1.00 73.33 H new ATOM 0 HE1 HIS A 63 5.829 -7.582 -7.276 1.00 1.24 H new ATOM 0 HE2 HIS A 63 4.167 -9.482 -6.988 1.00 34.13 H new ATOM 1111 N SER A 64 0.884 -7.340 -12.971 1.00 23.30 N ATOM 1112 CA SER A 64 -0.111 -7.000 -13.978 1.00 44.14 C ATOM 1113 C SER A 64 -0.938 -5.786 -13.554 1.00 73.35 C ATOM 1114 O SER A 64 -0.800 -5.289 -12.431 1.00 51.52 O ATOM 1115 CB SER A 64 -1.023 -8.204 -14.215 1.00 13.24 C ATOM 1116 OG SER A 64 -0.266 -9.343 -14.584 1.00 4.03 O ATOM 0 H SER A 64 0.625 -8.130 -12.380 1.00 23.30 H new ATOM 0 HA SER A 64 0.405 -6.742 -14.903 1.00 44.14 H new ATOM 0 HB2 SER A 64 -1.593 -8.418 -13.311 1.00 13.24 H new ATOM 0 HB3 SER A 64 -1.744 -7.971 -14.999 1.00 13.24 H new ATOM 0 HG SER A 64 -0.868 -10.103 -14.729 1.00 4.03 H new ATOM 1122 N TYR A 65 -1.808 -5.325 -14.453 1.00 21.22 N ATOM 1123 CA TYR A 65 -2.643 -4.159 -14.192 1.00 74.43 C ATOM 1124 C TYR A 65 -3.559 -4.393 -13.003 1.00 44.42 C ATOM 1125 O TYR A 65 -3.691 -3.531 -12.140 1.00 51.33 O ATOM 1126 CB TYR A 65 -3.486 -3.789 -15.420 1.00 41.31 C ATOM 1127 CG TYR A 65 -4.545 -2.749 -15.114 1.00 45.22 C ATOM 1128 CD1 TYR A 65 -4.211 -1.405 -14.993 1.00 71.13 C ATOM 1129 CD2 TYR A 65 -5.873 -3.116 -14.918 1.00 43.53 C ATOM 1130 CE1 TYR A 65 -5.170 -0.456 -14.689 1.00 2.04 C ATOM 1131 CE2 TYR A 65 -6.834 -2.175 -14.611 1.00 43.25 C ATOM 1132 CZ TYR A 65 -6.481 -0.848 -14.497 1.00 33.21 C ATOM 1133 OH TYR A 65 -7.442 0.082 -14.175 1.00 43.30 O ATOM 0 H TYR A 65 -1.951 -5.745 -15.371 1.00 21.22 H new ATOM 0 HA TYR A 65 -1.971 -3.332 -13.964 1.00 74.43 H new ATOM 0 HB2 TYR A 65 -2.830 -3.413 -16.205 1.00 41.31 H new ATOM 0 HB3 TYR A 65 -3.967 -4.687 -15.809 1.00 41.31 H new ATOM 0 HD1 TYR A 65 -3.186 -1.097 -15.139 1.00 71.13 H new ATOM 0 HD2 TYR A 65 -6.156 -4.154 -15.008 1.00 43.53 H new ATOM 0 HE1 TYR A 65 -4.896 0.585 -14.602 1.00 2.04 H new ATOM 0 HE2 TYR A 65 -7.860 -2.478 -14.460 1.00 43.25 H new ATOM 0 HH TYR A 65 -8.331 -0.310 -14.299 1.00 43.30 H new ATOM 1143 N GLU A 66 -4.195 -5.556 -12.957 1.00 75.12 N ATOM 1144 CA GLU A 66 -5.126 -5.856 -11.880 1.00 50.24 C ATOM 1145 C GLU A 66 -4.412 -5.806 -10.532 1.00 35.35 C ATOM 1146 O GLU A 66 -4.985 -5.384 -9.528 1.00 44.22 O ATOM 1147 CB GLU A 66 -5.770 -7.228 -12.079 1.00 25.54 C ATOM 1148 CG GLU A 66 -6.948 -7.461 -11.152 1.00 14.05 C ATOM 1149 CD GLU A 66 -7.539 -8.849 -11.274 1.00 74.21 C ATOM 1150 OE1 GLU A 66 -8.260 -9.105 -12.263 1.00 3.13 O ATOM 1151 OE2 GLU A 66 -7.298 -9.682 -10.375 1.00 21.51 O ATOM 0 H GLU A 66 -4.084 -6.300 -13.646 1.00 75.12 H new ATOM 0 HA GLU A 66 -5.912 -5.101 -11.895 1.00 50.24 H new ATOM 0 HB2 GLU A 66 -6.102 -7.323 -13.113 1.00 25.54 H new ATOM 0 HB3 GLU A 66 -5.022 -8.004 -11.912 1.00 25.54 H new ATOM 0 HG2 GLU A 66 -6.629 -7.298 -10.122 1.00 14.05 H new ATOM 0 HG3 GLU A 66 -7.722 -6.724 -11.366 1.00 14.05 H new ATOM 1158 N THR A 67 -3.149 -6.215 -10.531 1.00 23.34 N ATOM 1159 CA THR A 67 -2.354 -6.251 -9.317 1.00 73.15 C ATOM 1160 C THR A 67 -1.981 -4.839 -8.860 1.00 71.31 C ATOM 1161 O THR A 67 -2.086 -4.513 -7.679 1.00 4.33 O ATOM 1162 CB THR A 67 -1.074 -7.080 -9.530 1.00 73.21 C ATOM 1163 OG1 THR A 67 -1.350 -8.176 -10.413 1.00 4.35 O ATOM 1164 CG2 THR A 67 -0.560 -7.622 -8.207 1.00 32.32 C ATOM 0 H THR A 67 -2.653 -6.528 -11.366 1.00 23.34 H new ATOM 0 HA THR A 67 -2.959 -6.720 -8.541 1.00 73.15 H new ATOM 0 HB THR A 67 -0.313 -6.433 -9.967 1.00 73.21 H new ATOM 0 HG1 THR A 67 -0.533 -8.701 -10.548 1.00 4.35 H new ATOM 0 HG21 THR A 67 0.345 -8.205 -8.379 1.00 32.32 H new ATOM 0 HG22 THR A 67 -0.335 -6.792 -7.537 1.00 32.32 H new ATOM 0 HG23 THR A 67 -1.321 -8.258 -7.754 1.00 32.32 H new ATOM 1172 N ILE A 68 -1.559 -3.997 -9.797 1.00 33.12 N ATOM 1173 CA ILE A 68 -1.173 -2.631 -9.461 1.00 40.12 C ATOM 1174 C ILE A 68 -2.406 -1.776 -9.154 1.00 73.35 C ATOM 1175 O ILE A 68 -2.366 -0.901 -8.285 1.00 30.53 O ATOM 1176 CB ILE A 68 -0.313 -1.971 -10.575 1.00 10.23 C ATOM 1177 CG1 ILE A 68 0.164 -0.583 -10.131 1.00 11.34 C ATOM 1178 CG2 ILE A 68 -1.081 -1.877 -11.887 1.00 40.12 C ATOM 1179 CD1 ILE A 68 1.048 0.116 -11.144 1.00 71.44 C ATOM 0 H ILE A 68 -1.476 -4.233 -10.786 1.00 33.12 H new ATOM 0 HA ILE A 68 -0.554 -2.687 -8.566 1.00 40.12 H new ATOM 0 HB ILE A 68 0.558 -2.604 -10.744 1.00 10.23 H new ATOM 0 HG12 ILE A 68 -0.706 0.042 -9.930 1.00 11.34 H new ATOM 0 HG13 ILE A 68 0.710 -0.680 -9.193 1.00 11.34 H new ATOM 0 HG21 ILE A 68 -0.451 -1.411 -12.645 1.00 40.12 H new ATOM 0 HG22 ILE A 68 -1.364 -2.877 -12.215 1.00 40.12 H new ATOM 0 HG23 ILE A 68 -1.978 -1.276 -11.741 1.00 40.12 H new ATOM 0 HD11 ILE A 68 1.344 1.091 -10.757 1.00 71.44 H new ATOM 0 HD12 ILE A 68 1.937 -0.487 -11.328 1.00 71.44 H new ATOM 0 HD13 ILE A 68 0.499 0.247 -12.077 1.00 71.44 H new ATOM 1191 N ARG A 69 -3.506 -2.048 -9.853 1.00 62.14 N ATOM 1192 CA ARG A 69 -4.747 -1.314 -9.636 1.00 45.34 C ATOM 1193 C ARG A 69 -5.268 -1.534 -8.220 1.00 35.10 C ATOM 1194 O ARG A 69 -5.609 -0.576 -7.524 1.00 21.44 O ATOM 1195 CB ARG A 69 -5.822 -1.731 -10.640 1.00 14.24 C ATOM 1196 CG ARG A 69 -7.121 -0.966 -10.459 1.00 61.35 C ATOM 1197 CD ARG A 69 -8.242 -1.530 -11.313 1.00 11.31 C ATOM 1198 NE ARG A 69 -9.502 -0.837 -11.058 1.00 13.31 N ATOM 1199 CZ ARG A 69 -10.463 -1.308 -10.264 1.00 0.11 C ATOM 1200 NH1 ARG A 69 -10.326 -2.491 -9.677 1.00 22.11 N ATOM 1201 NH2 ARG A 69 -11.567 -0.601 -10.069 1.00 2.15 N ATOM 0 H ARG A 69 -3.562 -2.769 -10.572 1.00 62.14 H new ATOM 0 HA ARG A 69 -4.524 -0.256 -9.778 1.00 45.34 H new ATOM 0 HB2 ARG A 69 -5.449 -1.572 -11.652 1.00 14.24 H new ATOM 0 HB3 ARG A 69 -6.016 -2.798 -10.536 1.00 14.24 H new ATOM 0 HG2 ARG A 69 -7.415 -0.996 -9.410 1.00 61.35 H new ATOM 0 HG3 ARG A 69 -6.963 0.081 -10.716 1.00 61.35 H new ATOM 0 HD2 ARG A 69 -7.981 -1.438 -12.367 1.00 11.31 H new ATOM 0 HD3 ARG A 69 -8.361 -2.593 -11.105 1.00 11.31 H new ATOM 0 HE ARG A 69 -9.656 0.062 -11.515 1.00 13.31 H new ATOM 0 HH11 ARG A 69 -9.483 -3.043 -9.833 1.00 22.11 H new ATOM 0 HH12 ARG A 69 -11.064 -2.848 -9.070 1.00 22.11 H new ATOM 0 HH21 ARG A 69 -11.681 0.303 -10.527 1.00 2.15 H new ATOM 0 HH22 ARG A 69 -12.303 -0.961 -9.461 1.00 2.15 H new ATOM 1215 N LYS A 70 -5.330 -2.793 -7.793 1.00 73.03 N ATOM 1216 CA LYS A 70 -5.816 -3.102 -6.456 1.00 43.21 C ATOM 1217 C LYS A 70 -4.858 -2.552 -5.406 1.00 75.34 C ATOM 1218 O LYS A 70 -5.288 -2.083 -4.354 1.00 1.20 O ATOM 1219 CB LYS A 70 -6.031 -4.610 -6.264 1.00 32.21 C ATOM 1220 CG LYS A 70 -4.786 -5.460 -6.454 1.00 72.41 C ATOM 1221 CD LYS A 70 -5.027 -6.899 -6.026 1.00 72.11 C ATOM 1222 CE LYS A 70 -6.157 -7.544 -6.812 1.00 33.21 C ATOM 1223 NZ LYS A 70 -6.514 -8.878 -6.263 1.00 31.44 N ATOM 0 H LYS A 70 -5.053 -3.604 -8.347 1.00 73.03 H new ATOM 0 HA LYS A 70 -6.786 -2.620 -6.333 1.00 43.21 H new ATOM 0 HB2 LYS A 70 -6.422 -4.782 -5.261 1.00 32.21 H new ATOM 0 HB3 LYS A 70 -6.794 -4.946 -6.966 1.00 32.21 H new ATOM 0 HG2 LYS A 70 -4.483 -5.436 -7.501 1.00 72.41 H new ATOM 0 HG3 LYS A 70 -3.964 -5.039 -5.875 1.00 72.41 H new ATOM 0 HD2 LYS A 70 -4.113 -7.477 -6.164 1.00 72.11 H new ATOM 0 HD3 LYS A 70 -5.263 -6.926 -4.962 1.00 72.11 H new ATOM 0 HE2 LYS A 70 -7.032 -6.895 -6.790 1.00 33.21 H new ATOM 0 HE3 LYS A 70 -5.862 -7.647 -7.856 1.00 33.21 H new ATOM 0 HZ1 LYS A 70 -6.523 -9.579 -7.032 1.00 31.44 H new ATOM 0 HZ2 LYS A 70 -5.813 -9.158 -5.548 1.00 31.44 H new ATOM 0 HZ3 LYS A 70 -7.456 -8.832 -5.825 1.00 31.44 H new ATOM 1237 N LEU A 71 -3.563 -2.590 -5.708 1.00 1.25 N ATOM 1238 CA LEU A 71 -2.555 -2.002 -4.834 1.00 14.12 C ATOM 1239 C LEU A 71 -2.880 -0.539 -4.562 1.00 54.15 C ATOM 1240 O LEU A 71 -2.890 -0.096 -3.413 1.00 62.41 O ATOM 1241 CB LEU A 71 -1.167 -2.115 -5.470 1.00 2.12 C ATOM 1242 CG LEU A 71 -0.083 -1.242 -4.832 1.00 24.41 C ATOM 1243 CD1 LEU A 71 0.181 -1.666 -3.397 1.00 40.32 C ATOM 1244 CD2 LEU A 71 1.191 -1.300 -5.653 1.00 31.42 C ATOM 0 H LEU A 71 -3.188 -3.022 -6.552 1.00 1.25 H new ATOM 0 HA LEU A 71 -2.557 -2.547 -3.890 1.00 14.12 H new ATOM 0 HB2 LEU A 71 -0.847 -3.156 -5.422 1.00 2.12 H new ATOM 0 HB3 LEU A 71 -1.246 -1.854 -6.525 1.00 2.12 H new ATOM 0 HG LEU A 71 -0.438 -0.212 -4.816 1.00 24.41 H new ATOM 0 HD11 LEU A 71 0.955 -1.031 -2.966 1.00 40.32 H new ATOM 0 HD12 LEU A 71 -0.735 -1.568 -2.814 1.00 40.32 H new ATOM 0 HD13 LEU A 71 0.513 -2.704 -3.380 1.00 40.32 H new ATOM 0 HD21 LEU A 71 1.953 -0.675 -5.187 1.00 31.42 H new ATOM 0 HD22 LEU A 71 1.546 -2.329 -5.701 1.00 31.42 H new ATOM 0 HD23 LEU A 71 0.991 -0.938 -6.661 1.00 31.42 H new ATOM 1256 N ASN A 72 -3.160 0.196 -5.634 1.00 40.30 N ATOM 1257 CA ASN A 72 -3.500 1.610 -5.536 1.00 43.31 C ATOM 1258 C ASN A 72 -4.696 1.822 -4.615 1.00 44.10 C ATOM 1259 O ASN A 72 -4.662 2.680 -3.737 1.00 42.22 O ATOM 1260 CB ASN A 72 -3.812 2.184 -6.920 1.00 0.54 C ATOM 1261 CG ASN A 72 -4.123 3.668 -6.880 1.00 74.34 C ATOM 1262 OD1 ASN A 72 -3.564 4.413 -6.079 1.00 13.33 O ATOM 1263 ND2 ASN A 72 -5.023 4.106 -7.746 1.00 71.31 N ATOM 0 H ASN A 72 -3.158 -0.168 -6.587 1.00 40.30 H new ATOM 0 HA ASN A 72 -2.639 2.130 -5.117 1.00 43.31 H new ATOM 0 HB2 ASN A 72 -2.962 2.012 -7.580 1.00 0.54 H new ATOM 0 HB3 ASN A 72 -4.661 1.650 -7.348 1.00 0.54 H new ATOM 0 HD21 ASN A 72 -5.275 5.094 -7.764 1.00 71.31 H new ATOM 0 HD22 ASN A 72 -5.465 3.455 -8.395 1.00 71.31 H new ATOM 1270 N SER A 73 -5.747 1.029 -4.804 1.00 13.00 N ATOM 1271 CA SER A 73 -6.952 1.174 -3.996 1.00 33.41 C ATOM 1272 C SER A 73 -6.679 0.871 -2.521 1.00 30.04 C ATOM 1273 O SER A 73 -7.293 1.472 -1.638 1.00 43.32 O ATOM 1274 CB SER A 73 -8.090 0.301 -4.542 1.00 24.01 C ATOM 1275 OG SER A 73 -7.644 -1.005 -4.871 1.00 41.41 O ATOM 0 H SER A 73 -5.789 0.287 -5.502 1.00 13.00 H new ATOM 0 HA SER A 73 -7.268 2.215 -4.061 1.00 33.41 H new ATOM 0 HB2 SER A 73 -8.886 0.237 -3.800 1.00 24.01 H new ATOM 0 HB3 SER A 73 -8.517 0.773 -5.427 1.00 24.01 H new ATOM 0 HG SER A 73 -6.792 -1.183 -4.420 1.00 41.41 H new ATOM 1281 N TYR A 74 -5.744 -0.039 -2.250 1.00 71.12 N ATOM 1282 CA TYR A 74 -5.371 -0.345 -0.871 1.00 23.15 C ATOM 1283 C TYR A 74 -4.680 0.858 -0.250 1.00 3.14 C ATOM 1284 O TYR A 74 -5.039 1.303 0.838 1.00 50.04 O ATOM 1285 CB TYR A 74 -4.430 -1.549 -0.793 1.00 35.32 C ATOM 1286 CG TYR A 74 -4.963 -2.810 -1.428 1.00 13.55 C ATOM 1287 CD1 TYR A 74 -6.327 -3.059 -1.505 1.00 64.14 C ATOM 1288 CD2 TYR A 74 -4.091 -3.753 -1.958 1.00 2.02 C ATOM 1289 CE1 TYR A 74 -6.807 -4.214 -2.091 1.00 72.32 C ATOM 1290 CE2 TYR A 74 -4.563 -4.908 -2.545 1.00 74.40 C ATOM 1291 CZ TYR A 74 -5.922 -5.135 -2.609 1.00 31.11 C ATOM 1292 OH TYR A 74 -6.400 -6.287 -3.189 1.00 72.21 O ATOM 0 H TYR A 74 -5.237 -0.571 -2.958 1.00 71.12 H new ATOM 0 HA TYR A 74 -6.285 -0.585 -0.327 1.00 23.15 H new ATOM 0 HB2 TYR A 74 -3.487 -1.287 -1.273 1.00 35.32 H new ATOM 0 HB3 TYR A 74 -4.208 -1.752 0.255 1.00 35.32 H new ATOM 0 HD1 TYR A 74 -7.023 -2.339 -1.101 1.00 64.14 H new ATOM 0 HD2 TYR A 74 -3.026 -3.579 -1.909 1.00 2.02 H new ATOM 0 HE1 TYR A 74 -7.871 -4.395 -2.143 1.00 72.32 H new ATOM 0 HE2 TYR A 74 -3.872 -5.631 -2.953 1.00 74.40 H new ATOM 0 HH TYR A 74 -7.281 -6.114 -3.581 1.00 72.21 H new ATOM 1302 N ILE A 75 -3.692 1.385 -0.965 1.00 12.54 N ATOM 1303 CA ILE A 75 -2.931 2.536 -0.500 1.00 0.32 C ATOM 1304 C ILE A 75 -3.838 3.754 -0.343 1.00 71.24 C ATOM 1305 O ILE A 75 -3.758 4.477 0.652 1.00 54.15 O ATOM 1306 CB ILE A 75 -1.776 2.873 -1.468 1.00 53.54 C ATOM 1307 CG1 ILE A 75 -0.817 1.684 -1.581 1.00 52.43 C ATOM 1308 CG2 ILE A 75 -1.033 4.119 -1.005 1.00 74.42 C ATOM 1309 CD1 ILE A 75 0.312 1.900 -2.567 1.00 53.21 C ATOM 0 H ILE A 75 -3.399 1.029 -1.875 1.00 12.54 H new ATOM 0 HA ILE A 75 -2.507 2.277 0.470 1.00 0.32 H new ATOM 0 HB ILE A 75 -2.197 3.076 -2.453 1.00 53.54 H new ATOM 0 HG12 ILE A 75 -0.394 1.476 -0.598 1.00 52.43 H new ATOM 0 HG13 ILE A 75 -1.382 0.801 -1.878 1.00 52.43 H new ATOM 0 HG21 ILE A 75 -0.223 4.339 -1.701 1.00 74.42 H new ATOM 0 HG22 ILE A 75 -1.723 4.963 -0.972 1.00 74.42 H new ATOM 0 HG23 ILE A 75 -0.621 3.948 -0.011 1.00 74.42 H new ATOM 0 HD11 ILE A 75 0.948 1.015 -2.591 1.00 53.21 H new ATOM 0 HD12 ILE A 75 -0.101 2.077 -3.560 1.00 53.21 H new ATOM 0 HD13 ILE A 75 0.903 2.763 -2.260 1.00 53.21 H new ATOM 1321 N ARG A 76 -4.708 3.964 -1.325 1.00 4.00 N ATOM 1322 CA ARG A 76 -5.666 5.060 -1.282 1.00 11.13 C ATOM 1323 C ARG A 76 -6.542 4.968 -0.033 1.00 51.31 C ATOM 1324 O ARG A 76 -6.753 5.967 0.655 1.00 65.01 O ATOM 1325 CB ARG A 76 -6.532 5.063 -2.545 1.00 14.32 C ATOM 1326 CG ARG A 76 -7.599 6.144 -2.552 1.00 13.51 C ATOM 1327 CD ARG A 76 -8.354 6.179 -3.869 1.00 33.35 C ATOM 1328 NE ARG A 76 -9.548 7.017 -3.782 1.00 20.02 N ATOM 1329 CZ ARG A 76 -9.954 7.843 -4.744 1.00 52.52 C ATOM 1330 NH1 ARG A 76 -9.261 7.960 -5.869 1.00 73.44 N ATOM 1331 NH2 ARG A 76 -11.060 8.559 -4.583 1.00 24.05 N ATOM 0 H ARG A 76 -4.768 3.386 -2.163 1.00 4.00 H new ATOM 0 HA ARG A 76 -5.110 5.997 -1.239 1.00 11.13 H new ATOM 0 HB2 ARG A 76 -5.889 5.194 -3.415 1.00 14.32 H new ATOM 0 HB3 ARG A 76 -7.013 4.090 -2.647 1.00 14.32 H new ATOM 0 HG2 ARG A 76 -8.300 5.969 -1.735 1.00 13.51 H new ATOM 0 HG3 ARG A 76 -7.136 7.114 -2.372 1.00 13.51 H new ATOM 0 HD2 ARG A 76 -7.700 6.557 -4.654 1.00 33.35 H new ATOM 0 HD3 ARG A 76 -8.640 5.166 -4.153 1.00 33.35 H new ATOM 0 HE ARG A 76 -10.106 6.966 -2.930 1.00 20.02 H new ATOM 0 HH11 ARG A 76 -8.409 7.415 -6.003 1.00 73.44 H new ATOM 0 HH12 ARG A 76 -9.580 8.595 -6.601 1.00 73.44 H new ATOM 0 HH21 ARG A 76 -11.600 8.477 -3.722 1.00 24.05 H new ATOM 0 HH22 ARG A 76 -11.370 9.191 -5.321 1.00 24.05 H new ATOM 1345 N ASN A 77 -7.036 3.766 0.265 1.00 3.25 N ATOM 1346 CA ASN A 77 -7.861 3.551 1.453 1.00 63.12 C ATOM 1347 C ASN A 77 -7.033 3.648 2.725 1.00 62.14 C ATOM 1348 O ASN A 77 -7.536 4.060 3.764 1.00 32.53 O ATOM 1349 CB ASN A 77 -8.568 2.196 1.409 1.00 14.34 C ATOM 1350 CG ASN A 77 -9.875 2.241 0.646 1.00 1.43 C ATOM 1351 OD1 ASN A 77 -9.914 1.995 -0.557 1.00 21.20 O ATOM 1352 ND2 ASN A 77 -10.956 2.565 1.341 1.00 34.41 N ATOM 0 H ASN A 77 -6.880 2.930 -0.298 1.00 3.25 H new ATOM 0 HA ASN A 77 -8.615 4.339 1.459 1.00 63.12 H new ATOM 0 HB2 ASN A 77 -7.908 1.462 0.947 1.00 14.34 H new ATOM 0 HB3 ASN A 77 -8.758 1.857 2.427 1.00 14.34 H new ATOM 0 HD21 ASN A 77 -11.863 2.617 0.878 1.00 34.41 H new ATOM 0 HD22 ASN A 77 -10.881 2.762 2.339 1.00 34.41 H new ATOM 1359 N ALA A 78 -5.768 3.262 2.643 1.00 13.13 N ATOM 1360 CA ALA A 78 -4.870 3.354 3.788 1.00 54.23 C ATOM 1361 C ALA A 78 -4.714 4.807 4.229 1.00 31.23 C ATOM 1362 O ALA A 78 -4.804 5.120 5.416 1.00 62.23 O ATOM 1363 CB ALA A 78 -3.519 2.734 3.459 1.00 12.52 C ATOM 0 H ALA A 78 -5.340 2.883 1.798 1.00 13.13 H new ATOM 0 HA ALA A 78 -5.304 2.794 4.616 1.00 54.23 H new ATOM 0 HB1 ALA A 78 -2.862 2.812 4.325 1.00 12.52 H new ATOM 0 HB2 ALA A 78 -3.654 1.684 3.199 1.00 12.52 H new ATOM 0 HB3 ALA A 78 -3.072 3.261 2.616 1.00 12.52 H new ATOM 1369 N PHE A 79 -4.505 5.695 3.263 1.00 22.33 N ATOM 1370 CA PHE A 79 -4.416 7.120 3.549 1.00 52.21 C ATOM 1371 C PHE A 79 -5.789 7.694 3.882 1.00 12.02 C ATOM 1372 O PHE A 79 -5.908 8.582 4.720 1.00 3.20 O ATOM 1373 CB PHE A 79 -3.804 7.874 2.368 1.00 21.31 C ATOM 1374 CG PHE A 79 -2.317 7.704 2.250 1.00 74.54 C ATOM 1375 CD1 PHE A 79 -1.459 8.552 2.928 1.00 63.53 C ATOM 1376 CD2 PHE A 79 -1.776 6.702 1.463 1.00 43.32 C ATOM 1377 CE1 PHE A 79 -0.090 8.403 2.824 1.00 42.22 C ATOM 1378 CE2 PHE A 79 -0.408 6.549 1.356 1.00 31.35 C ATOM 1379 CZ PHE A 79 0.436 7.400 2.038 1.00 32.12 C ATOM 0 H PHE A 79 -4.395 5.453 2.278 1.00 22.33 H new ATOM 0 HA PHE A 79 -3.768 7.246 4.416 1.00 52.21 H new ATOM 0 HB2 PHE A 79 -4.274 7.531 1.446 1.00 21.31 H new ATOM 0 HB3 PHE A 79 -4.033 8.935 2.468 1.00 21.31 H new ATOM 0 HD1 PHE A 79 -1.865 9.340 3.546 1.00 63.53 H new ATOM 0 HD2 PHE A 79 -2.432 6.032 0.926 1.00 43.32 H new ATOM 0 HE1 PHE A 79 0.568 9.072 3.358 1.00 42.22 H new ATOM 0 HE2 PHE A 79 0.001 5.763 0.738 1.00 31.35 H new ATOM 0 HZ PHE A 79 1.506 7.281 1.957 1.00 32.12 H new ATOM 1389 N ASP A 80 -6.819 7.173 3.226 1.00 53.22 N ATOM 1390 CA ASP A 80 -8.193 7.612 3.469 1.00 15.22 C ATOM 1391 C ASP A 80 -8.612 7.292 4.901 1.00 61.31 C ATOM 1392 O ASP A 80 -9.279 8.089 5.561 1.00 23.03 O ATOM 1393 CB ASP A 80 -9.148 6.939 2.479 1.00 53.22 C ATOM 1394 CG ASP A 80 -10.599 7.303 2.720 1.00 30.11 C ATOM 1395 OD1 ASP A 80 -11.024 8.396 2.295 1.00 51.45 O ATOM 1396 OD2 ASP A 80 -11.326 6.492 3.333 1.00 72.23 O ATOM 0 H ASP A 80 -6.731 6.443 2.519 1.00 53.22 H new ATOM 0 HA ASP A 80 -8.240 8.692 3.326 1.00 15.22 H new ATOM 0 HB2 ASP A 80 -8.871 7.224 1.464 1.00 53.22 H new ATOM 0 HB3 ASP A 80 -9.033 5.857 2.549 1.00 53.22 H new ATOM 1401 N ASP A 81 -8.201 6.125 5.376 1.00 63.20 N ATOM 1402 CA ASP A 81 -8.473 5.710 6.746 1.00 74.13 C ATOM 1403 C ASP A 81 -7.682 6.576 7.718 1.00 72.23 C ATOM 1404 O ASP A 81 -8.236 7.138 8.660 1.00 20.21 O ATOM 1405 CB ASP A 81 -8.098 4.238 6.939 1.00 65.13 C ATOM 1406 CG ASP A 81 -8.582 3.671 8.261 1.00 20.31 C ATOM 1407 OD1 ASP A 81 -7.844 3.766 9.262 1.00 70.14 O ATOM 1408 OD2 ASP A 81 -9.702 3.103 8.286 1.00 40.51 O ATOM 0 H ASP A 81 -7.674 5.444 4.829 1.00 63.20 H new ATOM 0 HA ASP A 81 -9.538 5.831 6.943 1.00 74.13 H new ATOM 0 HB2 ASP A 81 -8.519 3.651 6.122 1.00 65.13 H new ATOM 0 HB3 ASP A 81 -7.015 4.134 6.880 1.00 65.13 H new ATOM 1413 N ALA A 82 -6.389 6.713 7.451 1.00 44.02 N ATOM 1414 CA ALA A 82 -5.500 7.478 8.316 1.00 62.33 C ATOM 1415 C ALA A 82 -5.902 8.949 8.380 1.00 22.52 C ATOM 1416 O ALA A 82 -5.800 9.583 9.431 1.00 44.23 O ATOM 1417 CB ALA A 82 -4.063 7.346 7.845 1.00 71.22 C ATOM 0 H ALA A 82 -5.931 6.302 6.638 1.00 44.02 H new ATOM 0 HA ALA A 82 -5.585 7.067 9.322 1.00 62.33 H new ATOM 0 HB1 ALA A 82 -3.411 7.923 8.501 1.00 71.22 H new ATOM 0 HB2 ALA A 82 -3.767 6.297 7.870 1.00 71.22 H new ATOM 0 HB3 ALA A 82 -3.978 7.723 6.826 1.00 71.22 H new ATOM 1423 N ILE A 83 -6.351 9.499 7.257 1.00 12.43 N ATOM 1424 CA ILE A 83 -6.786 10.890 7.217 1.00 60.43 C ATOM 1425 C ILE A 83 -8.109 11.039 7.955 1.00 21.22 C ATOM 1426 O ILE A 83 -8.379 12.065 8.574 1.00 31.40 O ATOM 1427 CB ILE A 83 -6.918 11.417 5.766 1.00 2.23 C ATOM 1428 CG1 ILE A 83 -6.855 12.947 5.745 1.00 11.54 C ATOM 1429 CG2 ILE A 83 -8.207 10.930 5.107 1.00 45.13 C ATOM 1430 CD1 ILE A 83 -6.822 13.536 4.348 1.00 51.24 C ATOM 0 H ILE A 83 -6.423 9.006 6.367 1.00 12.43 H new ATOM 0 HA ILE A 83 -6.022 11.491 7.711 1.00 60.43 H new ATOM 0 HB ILE A 83 -6.080 11.020 5.192 1.00 2.23 H new ATOM 0 HG12 ILE A 83 -7.719 13.345 6.277 1.00 11.54 H new ATOM 0 HG13 ILE A 83 -5.968 13.273 6.288 1.00 11.54 H new ATOM 0 HG21 ILE A 83 -8.266 11.319 4.091 1.00 45.13 H new ATOM 0 HG22 ILE A 83 -8.212 9.840 5.079 1.00 45.13 H new ATOM 0 HG23 ILE A 83 -9.064 11.282 5.680 1.00 45.13 H new ATOM 0 HD11 ILE A 83 -6.778 14.623 4.412 1.00 51.24 H new ATOM 0 HD12 ILE A 83 -5.943 13.168 3.819 1.00 51.24 H new ATOM 0 HD13 ILE A 83 -7.721 13.241 3.807 1.00 51.24 H new ATOM 1442 N HIS A 84 -8.918 9.990 7.899 1.00 54.41 N ATOM 1443 CA HIS A 84 -10.188 9.959 8.598 1.00 30.04 C ATOM 1444 C HIS A 84 -9.954 10.004 10.098 1.00 11.23 C ATOM 1445 O HIS A 84 -10.703 10.634 10.841 1.00 44.23 O ATOM 1446 CB HIS A 84 -10.956 8.689 8.234 1.00 74.24 C ATOM 1447 CG HIS A 84 -12.345 8.664 8.771 1.00 3.33 C ATOM 1448 ND1 HIS A 84 -12.686 8.078 9.972 1.00 42.03 N ATOM 1449 CD2 HIS A 84 -13.483 9.173 8.260 1.00 41.50 C ATOM 1450 CE1 HIS A 84 -13.980 8.228 10.175 1.00 54.52 C ATOM 1451 NE2 HIS A 84 -14.486 8.890 9.150 1.00 32.22 N ATOM 0 H HIS A 84 -8.711 9.143 7.370 1.00 54.41 H new ATOM 0 HA HIS A 84 -10.775 10.828 8.300 1.00 30.04 H new ATOM 0 HB2 HIS A 84 -10.992 8.593 7.149 1.00 74.24 H new ATOM 0 HB3 HIS A 84 -10.412 7.823 8.612 1.00 74.24 H new ATOM 0 HD1 HIS A 84 -12.040 7.604 10.603 1.00 42.03 H new ATOM 0 HD2 HIS A 84 -13.585 9.704 7.325 1.00 41.50 H new ATOM 0 HE1 HIS A 84 -14.532 7.871 11.032 1.00 54.52 H new ATOM 1460 N GLU A 85 -8.890 9.347 10.527 1.00 32.12 N ATOM 1461 CA GLU A 85 -8.580 9.250 11.945 1.00 33.30 C ATOM 1462 C GLU A 85 -7.757 10.452 12.397 1.00 43.04 C ATOM 1463 O GLU A 85 -7.498 10.633 13.588 1.00 20.14 O ATOM 1464 CB GLU A 85 -7.831 7.948 12.238 1.00 73.23 C ATOM 1465 CG GLU A 85 -8.546 6.700 11.729 1.00 14.42 C ATOM 1466 CD GLU A 85 -9.938 6.530 12.306 1.00 73.30 C ATOM 1467 OE1 GLU A 85 -10.059 5.981 13.422 1.00 64.05 O ATOM 1468 OE2 GLU A 85 -10.924 6.930 11.645 1.00 44.45 O ATOM 0 H GLU A 85 -8.226 8.873 9.915 1.00 32.12 H new ATOM 0 HA GLU A 85 -9.516 9.245 12.504 1.00 33.30 H new ATOM 0 HB2 GLU A 85 -6.841 7.999 11.785 1.00 73.23 H new ATOM 0 HB3 GLU A 85 -7.684 7.858 13.314 1.00 73.23 H new ATOM 0 HG2 GLU A 85 -8.614 6.746 10.642 1.00 14.42 H new ATOM 0 HG3 GLU A 85 -7.949 5.822 11.974 1.00 14.42 H new ATOM 1475 N GLY A 86 -7.340 11.264 11.432 1.00 23.45 N ATOM 1476 CA GLY A 86 -6.623 12.486 11.738 1.00 22.04 C ATOM 1477 C GLY A 86 -5.150 12.240 11.968 1.00 52.22 C ATOM 1478 O GLY A 86 -4.500 12.966 12.718 1.00 54.41 O ATOM 0 H GLY A 86 -7.488 11.095 10.437 1.00 23.45 H new ATOM 0 HA2 GLY A 86 -6.748 13.194 10.918 1.00 22.04 H new ATOM 0 HA3 GLY A 86 -7.056 12.947 12.626 1.00 22.04 H new ATOM 1482 N TYR A 87 -4.624 11.213 11.323 1.00 0.15 N ATOM 1483 CA TYR A 87 -3.234 10.837 11.500 1.00 22.13 C ATOM 1484 C TYR A 87 -2.381 11.291 10.315 1.00 14.33 C ATOM 1485 O TYR A 87 -1.322 11.898 10.499 1.00 51.23 O ATOM 1486 CB TYR A 87 -3.132 9.323 11.699 1.00 23.13 C ATOM 1487 CG TYR A 87 -1.716 8.817 11.798 1.00 43.32 C ATOM 1488 CD1 TYR A 87 -0.795 9.426 12.640 1.00 72.33 C ATOM 1489 CD2 TYR A 87 -1.303 7.730 11.047 1.00 73.40 C ATOM 1490 CE1 TYR A 87 0.503 8.967 12.724 1.00 33.41 C ATOM 1491 CE2 TYR A 87 -0.008 7.261 11.127 1.00 43.05 C ATOM 1492 CZ TYR A 87 0.892 7.885 11.966 1.00 11.24 C ATOM 1493 OH TYR A 87 2.185 7.426 12.043 1.00 54.13 O ATOM 0 H TYR A 87 -5.141 10.624 10.670 1.00 0.15 H new ATOM 0 HA TYR A 87 -2.848 11.338 12.388 1.00 22.13 H new ATOM 0 HB2 TYR A 87 -3.671 9.048 12.606 1.00 23.13 H new ATOM 0 HB3 TYR A 87 -3.630 8.822 10.869 1.00 23.13 H new ATOM 0 HD1 TYR A 87 -1.100 10.272 13.238 1.00 72.33 H new ATOM 0 HD2 TYR A 87 -2.006 7.241 10.388 1.00 73.40 H new ATOM 0 HE1 TYR A 87 1.210 9.453 13.380 1.00 33.41 H new ATOM 0 HE2 TYR A 87 0.299 6.411 10.536 1.00 43.05 H new ATOM 0 HH TYR A 87 2.350 7.061 12.937 1.00 54.13 H new ATOM 1503 N VAL A 88 -2.831 11.000 9.100 1.00 22.21 N ATOM 1504 CA VAL A 88 -2.093 11.415 7.915 1.00 54.21 C ATOM 1505 C VAL A 88 -2.720 12.672 7.320 1.00 5.13 C ATOM 1506 O VAL A 88 -3.903 12.947 7.536 1.00 33.35 O ATOM 1507 CB VAL A 88 -2.024 10.299 6.842 1.00 54.34 C ATOM 1508 CG1 VAL A 88 -3.317 10.206 6.047 1.00 42.33 C ATOM 1509 CG2 VAL A 88 -0.836 10.514 5.916 1.00 12.24 C ATOM 0 H VAL A 88 -3.691 10.485 8.911 1.00 22.21 H new ATOM 0 HA VAL A 88 -1.071 11.627 8.230 1.00 54.21 H new ATOM 0 HB VAL A 88 -1.889 9.351 7.362 1.00 54.34 H new ATOM 0 HG11 VAL A 88 -3.231 9.413 5.304 1.00 42.33 H new ATOM 0 HG12 VAL A 88 -4.144 9.984 6.722 1.00 42.33 H new ATOM 0 HG13 VAL A 88 -3.504 11.155 5.544 1.00 42.33 H new ATOM 0 HG21 VAL A 88 -0.807 9.719 5.171 1.00 12.24 H new ATOM 0 HG22 VAL A 88 -0.934 11.477 5.415 1.00 12.24 H new ATOM 0 HG23 VAL A 88 0.086 10.500 6.498 1.00 12.24 H new ATOM 1519 N ILE A 89 -1.925 13.434 6.589 1.00 63.33 N ATOM 1520 CA ILE A 89 -2.393 14.681 6.003 1.00 3.45 C ATOM 1521 C ILE A 89 -2.028 14.765 4.518 1.00 34.13 C ATOM 1522 O ILE A 89 -2.721 15.411 3.734 1.00 25.10 O ATOM 1523 CB ILE A 89 -1.817 15.897 6.769 1.00 60.15 C ATOM 1524 CG1 ILE A 89 -2.293 17.215 6.149 1.00 41.11 C ATOM 1525 CG2 ILE A 89 -0.297 15.837 6.804 1.00 11.42 C ATOM 1526 CD1 ILE A 89 -1.810 18.444 6.890 1.00 44.23 C ATOM 0 H ILE A 89 -0.950 13.212 6.386 1.00 63.33 H new ATOM 0 HA ILE A 89 -3.480 14.701 6.087 1.00 3.45 H new ATOM 0 HB ILE A 89 -2.187 15.856 7.794 1.00 60.15 H new ATOM 0 HG12 ILE A 89 -1.949 17.266 5.116 1.00 41.11 H new ATOM 0 HG13 ILE A 89 -3.383 17.222 6.123 1.00 41.11 H new ATOM 0 HG21 ILE A 89 0.089 16.700 7.347 1.00 11.42 H new ATOM 0 HG22 ILE A 89 0.020 14.922 7.305 1.00 11.42 H new ATOM 0 HG23 ILE A 89 0.091 15.846 5.785 1.00 11.42 H new ATOM 0 HD11 ILE A 89 -2.186 19.339 6.394 1.00 44.23 H new ATOM 0 HD12 ILE A 89 -2.176 18.417 7.916 1.00 44.23 H new ATOM 0 HD13 ILE A 89 -0.720 18.462 6.894 1.00 44.23 H new ATOM 1538 N LYS A 90 -0.956 14.090 4.130 1.00 54.12 N ATOM 1539 CA LYS A 90 -0.507 14.103 2.746 1.00 74.33 C ATOM 1540 C LYS A 90 -0.913 12.824 2.031 1.00 22.22 C ATOM 1541 O LYS A 90 -0.456 11.737 2.380 1.00 40.40 O ATOM 1542 CB LYS A 90 1.012 14.273 2.681 1.00 63.24 C ATOM 1543 CG LYS A 90 1.492 15.682 2.983 1.00 3.03 C ATOM 1544 CD LYS A 90 1.092 16.649 1.883 1.00 62.12 C ATOM 1545 CE LYS A 90 1.577 18.062 2.167 1.00 72.40 C ATOM 1546 NZ LYS A 90 0.941 18.640 3.380 1.00 62.22 N ATOM 0 H LYS A 90 -0.380 13.526 4.755 1.00 54.12 H new ATOM 0 HA LYS A 90 -0.983 14.946 2.246 1.00 74.33 H new ATOM 0 HB2 LYS A 90 1.474 13.584 3.388 1.00 63.24 H new ATOM 0 HB3 LYS A 90 1.356 13.989 1.687 1.00 63.24 H new ATOM 0 HG2 LYS A 90 1.074 16.015 3.933 1.00 3.03 H new ATOM 0 HG3 LYS A 90 2.576 15.683 3.094 1.00 3.03 H new ATOM 0 HD2 LYS A 90 1.503 16.308 0.933 1.00 62.12 H new ATOM 0 HD3 LYS A 90 0.007 16.652 1.779 1.00 62.12 H new ATOM 0 HE2 LYS A 90 2.659 18.054 2.295 1.00 72.40 H new ATOM 0 HE3 LYS A 90 1.362 18.698 1.308 1.00 72.40 H new ATOM 0 HZ1 LYS A 90 1.181 19.649 3.450 1.00 62.22 H new ATOM 0 HZ2 LYS A 90 -0.091 18.533 3.315 1.00 62.22 H new ATOM 0 HZ3 LYS A 90 1.288 18.142 4.225 1.00 62.22 H new ATOM 1560 N ASN A 91 -1.782 12.958 1.041 1.00 5.20 N ATOM 1561 CA ASN A 91 -2.182 11.822 0.226 1.00 32.11 C ATOM 1562 C ASN A 91 -1.508 11.921 -1.137 1.00 24.42 C ATOM 1563 O ASN A 91 -1.870 12.765 -1.955 1.00 1.12 O ATOM 1564 CB ASN A 91 -3.706 11.755 0.047 1.00 40.03 C ATOM 1565 CG ASN A 91 -4.467 11.621 1.357 1.00 41.23 C ATOM 1566 OD1 ASN A 91 -4.098 12.204 2.376 1.00 54.11 O ATOM 1567 ND2 ASN A 91 -5.531 10.835 1.345 1.00 73.34 N ATOM 0 H ASN A 91 -2.223 13.841 0.783 1.00 5.20 H new ATOM 0 HA ASN A 91 -1.870 10.911 0.737 1.00 32.11 H new ATOM 0 HB2 ASN A 91 -4.043 12.654 -0.469 1.00 40.03 H new ATOM 0 HB3 ASN A 91 -3.951 10.909 -0.594 1.00 40.03 H new ATOM 0 HD21 ASN A 91 -6.073 10.697 2.198 1.00 73.34 H new ATOM 0 HD22 ASN A 91 -5.809 10.367 0.483 1.00 73.34 H new ATOM 1574 N PRO A 92 -0.515 11.064 -1.398 1.00 73.45 N ATOM 1575 CA PRO A 92 0.292 11.125 -2.621 1.00 33.25 C ATOM 1576 C PRO A 92 -0.387 10.474 -3.824 1.00 24.32 C ATOM 1577 O PRO A 92 0.243 10.250 -4.859 1.00 75.43 O ATOM 1578 CB PRO A 92 1.539 10.340 -2.228 1.00 14.13 C ATOM 1579 CG PRO A 92 1.042 9.316 -1.267 1.00 14.12 C ATOM 1580 CD PRO A 92 -0.086 9.965 -0.511 1.00 73.43 C ATOM 0 HA PRO A 92 0.477 12.151 -2.938 1.00 33.25 H new ATOM 0 HB2 PRO A 92 2.007 9.876 -3.096 1.00 14.13 H new ATOM 0 HB3 PRO A 92 2.287 10.986 -1.769 1.00 14.13 H new ATOM 0 HG2 PRO A 92 0.698 8.424 -1.791 1.00 14.12 H new ATOM 0 HG3 PRO A 92 1.835 9.001 -0.589 1.00 14.12 H new ATOM 0 HD2 PRO A 92 -0.898 9.263 -0.322 1.00 73.43 H new ATOM 0 HD3 PRO A 92 0.244 10.338 0.458 1.00 73.43 H new ATOM 1588 N THR A 93 -1.677 10.207 -3.694 1.00 10.13 N ATOM 1589 CA THR A 93 -2.431 9.486 -4.710 1.00 73.23 C ATOM 1590 C THR A 93 -2.748 10.355 -5.931 1.00 72.35 C ATOM 1591 O THR A 93 -3.412 9.905 -6.864 1.00 33.21 O ATOM 1592 CB THR A 93 -3.737 8.934 -4.110 1.00 13.42 C ATOM 1593 OG1 THR A 93 -4.297 9.898 -3.205 1.00 5.14 O ATOM 1594 CG2 THR A 93 -3.488 7.623 -3.378 1.00 24.23 C ATOM 0 H THR A 93 -2.231 10.483 -2.883 1.00 10.13 H new ATOM 0 HA THR A 93 -1.802 8.663 -5.050 1.00 73.23 H new ATOM 0 HB THR A 93 -4.438 8.744 -4.923 1.00 13.42 H new ATOM 0 HG1 THR A 93 -5.129 9.546 -2.825 1.00 5.14 H new ATOM 0 HG21 THR A 93 -4.426 7.254 -2.963 1.00 24.23 H new ATOM 0 HG22 THR A 93 -3.085 6.888 -4.075 1.00 24.23 H new ATOM 0 HG23 THR A 93 -2.774 7.787 -2.571 1.00 24.23 H new ATOM 1602 N TYR A 94 -2.268 11.597 -5.928 1.00 55.12 N ATOM 1603 CA TYR A 94 -2.455 12.493 -7.067 1.00 14.13 C ATOM 1604 C TYR A 94 -1.823 11.900 -8.324 1.00 72.34 C ATOM 1605 O TYR A 94 -2.395 11.961 -9.412 1.00 42.50 O ATOM 1606 CB TYR A 94 -1.843 13.867 -6.771 1.00 23.53 C ATOM 1607 CG TYR A 94 -2.000 14.874 -7.897 1.00 63.14 C ATOM 1608 CD1 TYR A 94 -3.131 15.677 -7.987 1.00 72.44 C ATOM 1609 CD2 TYR A 94 -1.015 15.025 -8.868 1.00 71.34 C ATOM 1610 CE1 TYR A 94 -3.277 16.597 -9.010 1.00 33.33 C ATOM 1611 CE2 TYR A 94 -1.154 15.943 -9.893 1.00 53.11 C ATOM 1612 CZ TYR A 94 -2.286 16.726 -9.959 1.00 54.21 C ATOM 1613 OH TYR A 94 -2.428 17.638 -10.983 1.00 64.22 O ATOM 0 H TYR A 94 -1.748 12.005 -5.151 1.00 55.12 H new ATOM 0 HA TYR A 94 -3.525 12.613 -7.237 1.00 14.13 H new ATOM 0 HB2 TYR A 94 -2.304 14.271 -5.870 1.00 23.53 H new ATOM 0 HB3 TYR A 94 -0.782 13.741 -6.557 1.00 23.53 H new ATOM 0 HD1 TYR A 94 -3.910 15.581 -7.245 1.00 72.44 H new ATOM 0 HD2 TYR A 94 -0.126 14.414 -8.820 1.00 71.34 H new ATOM 0 HE1 TYR A 94 -4.164 17.211 -9.065 1.00 33.33 H new ATOM 0 HE2 TYR A 94 -0.379 16.046 -10.638 1.00 53.11 H new ATOM 0 HH TYR A 94 -1.640 17.603 -11.564 1.00 64.22 H new ATOM 1623 N LYS A 95 -0.642 11.318 -8.163 1.00 32.52 N ATOM 1624 CA LYS A 95 0.067 10.708 -9.277 1.00 34.33 C ATOM 1625 C LYS A 95 0.021 9.192 -9.180 1.00 44.23 C ATOM 1626 O LYS A 95 1.010 8.506 -9.441 1.00 43.01 O ATOM 1627 CB LYS A 95 1.517 11.202 -9.334 1.00 2.31 C ATOM 1628 CG LYS A 95 1.665 12.569 -9.985 1.00 1.12 C ATOM 1629 CD LYS A 95 1.065 12.574 -11.383 1.00 25.11 C ATOM 1630 CE LYS A 95 1.251 13.912 -12.084 1.00 42.51 C ATOM 1631 NZ LYS A 95 2.679 14.190 -12.397 1.00 13.43 N ATOM 0 H LYS A 95 -0.155 11.256 -7.269 1.00 32.52 H new ATOM 0 HA LYS A 95 -0.431 11.006 -10.199 1.00 34.33 H new ATOM 0 HB2 LYS A 95 1.918 11.245 -8.322 1.00 2.31 H new ATOM 0 HB3 LYS A 95 2.118 10.479 -9.885 1.00 2.31 H new ATOM 0 HG2 LYS A 95 1.173 13.323 -9.371 1.00 1.12 H new ATOM 0 HG3 LYS A 95 2.720 12.839 -10.037 1.00 1.12 H new ATOM 0 HD2 LYS A 95 1.528 11.787 -11.978 1.00 25.11 H new ATOM 0 HD3 LYS A 95 0.002 12.343 -11.321 1.00 25.11 H new ATOM 0 HE2 LYS A 95 0.671 13.920 -13.007 1.00 42.51 H new ATOM 0 HE3 LYS A 95 0.858 14.709 -11.453 1.00 42.51 H new ATOM 0 HZ1 LYS A 95 2.744 15.032 -13.005 1.00 13.43 H new ATOM 0 HZ2 LYS A 95 3.201 14.360 -11.514 1.00 13.43 H new ATOM 0 HZ3 LYS A 95 3.091 13.373 -12.892 1.00 13.43 H new ATOM 1645 N ALA A 96 -1.143 8.672 -8.821 1.00 41.32 N ATOM 1646 CA ALA A 96 -1.346 7.236 -8.754 1.00 40.14 C ATOM 1647 C ALA A 96 -1.572 6.660 -10.148 1.00 54.03 C ATOM 1648 O ALA A 96 -2.647 6.143 -10.459 1.00 71.23 O ATOM 1649 CB ALA A 96 -2.514 6.908 -7.840 1.00 15.33 C ATOM 0 H ALA A 96 -1.962 9.226 -8.571 1.00 41.32 H new ATOM 0 HA ALA A 96 -0.447 6.779 -8.340 1.00 40.14 H new ATOM 0 HB1 ALA A 96 -2.653 5.828 -7.801 1.00 15.33 H new ATOM 0 HB2 ALA A 96 -2.309 7.284 -6.838 1.00 15.33 H new ATOM 0 HB3 ALA A 96 -3.420 7.377 -8.225 1.00 15.33 H new ATOM 1655 N GLU A 97 -0.553 6.775 -10.986 1.00 14.52 N ATOM 1656 CA GLU A 97 -0.623 6.291 -12.354 1.00 71.23 C ATOM 1657 C GLU A 97 -0.507 4.774 -12.409 1.00 42.41 C ATOM 1658 O GLU A 97 0.548 4.207 -12.121 1.00 63.12 O ATOM 1659 CB GLU A 97 0.472 6.927 -13.206 1.00 60.04 C ATOM 1660 CG GLU A 97 0.268 8.408 -13.464 1.00 64.43 C ATOM 1661 CD GLU A 97 1.177 8.927 -14.557 1.00 10.32 C ATOM 1662 OE1 GLU A 97 0.865 8.702 -15.747 1.00 70.23 O ATOM 1663 OE2 GLU A 97 2.203 9.559 -14.237 1.00 53.42 O ATOM 0 H GLU A 97 0.339 7.203 -10.738 1.00 14.52 H new ATOM 0 HA GLU A 97 -1.596 6.576 -12.755 1.00 71.23 H new ATOM 0 HB2 GLU A 97 1.433 6.783 -12.712 1.00 60.04 H new ATOM 0 HB3 GLU A 97 0.524 6.406 -14.162 1.00 60.04 H new ATOM 0 HG2 GLU A 97 -0.771 8.587 -13.742 1.00 64.43 H new ATOM 0 HG3 GLU A 97 0.453 8.964 -12.545 1.00 64.43 H new ATOM 1670 N LEU A 98 -1.596 4.125 -12.794 1.00 32.11 N ATOM 1671 CA LEU A 98 -1.635 2.675 -12.908 1.00 54.01 C ATOM 1672 C LEU A 98 -1.016 2.220 -14.225 1.00 12.51 C ATOM 1673 O LEU A 98 -1.698 1.687 -15.098 1.00 64.20 O ATOM 1674 CB LEU A 98 -3.078 2.183 -12.794 1.00 3.13 C ATOM 1675 CG LEU A 98 -3.770 2.539 -11.477 1.00 52.12 C ATOM 1676 CD1 LEU A 98 -5.224 2.094 -11.497 1.00 2.43 C ATOM 1677 CD2 LEU A 98 -3.028 1.910 -10.308 1.00 71.12 C ATOM 0 H LEU A 98 -2.473 4.586 -13.035 1.00 32.11 H new ATOM 0 HA LEU A 98 -1.050 2.245 -12.095 1.00 54.01 H new ATOM 0 HB2 LEU A 98 -3.657 2.601 -13.618 1.00 3.13 H new ATOM 0 HB3 LEU A 98 -3.089 1.100 -12.914 1.00 3.13 H new ATOM 0 HG LEU A 98 -3.752 3.622 -11.355 1.00 52.12 H new ATOM 0 HD11 LEU A 98 -5.698 2.357 -10.551 1.00 2.43 H new ATOM 0 HD12 LEU A 98 -5.746 2.592 -12.315 1.00 2.43 H new ATOM 0 HD13 LEU A 98 -5.272 1.014 -11.640 1.00 2.43 H new ATOM 0 HD21 LEU A 98 -3.530 2.170 -9.376 1.00 71.12 H new ATOM 0 HD22 LEU A 98 -3.018 0.826 -10.424 1.00 71.12 H new ATOM 0 HD23 LEU A 98 -2.004 2.282 -10.285 1.00 71.12 H new ATOM 1689 N HIS A 99 0.280 2.451 -14.368 1.00 22.44 N ATOM 1690 CA HIS A 99 0.988 2.072 -15.581 1.00 1.42 C ATOM 1691 C HIS A 99 1.620 0.699 -15.444 1.00 13.21 C ATOM 1692 O HIS A 99 2.784 0.575 -15.057 1.00 2.02 O ATOM 1693 CB HIS A 99 2.072 3.090 -15.946 1.00 50.05 C ATOM 1694 CG HIS A 99 1.554 4.328 -16.603 1.00 52.24 C ATOM 1695 ND1 HIS A 99 1.587 4.529 -17.964 1.00 51.04 N ATOM 1696 CD2 HIS A 99 1.008 5.443 -16.074 1.00 41.11 C ATOM 1697 CE1 HIS A 99 1.084 5.717 -18.243 1.00 74.40 C ATOM 1698 NE2 HIS A 99 0.725 6.294 -17.111 1.00 45.23 N ATOM 0 H HIS A 99 0.862 2.899 -13.660 1.00 22.44 H new ATOM 0 HA HIS A 99 0.246 2.048 -16.379 1.00 1.42 H new ATOM 0 HB2 HIS A 99 2.610 3.371 -15.041 1.00 50.05 H new ATOM 0 HB3 HIS A 99 2.793 2.614 -16.611 1.00 50.05 H new ATOM 0 HD2 HIS A 99 0.827 5.631 -15.026 1.00 41.11 H new ATOM 0 HE1 HIS A 99 0.983 6.144 -19.230 1.00 74.40 H new ATOM 0 HE2 HIS A 99 0.306 7.220 -17.023 1.00 45.23 H new ATOM 1707 N ALA A 100 0.844 -0.332 -15.734 1.00 13.50 N ATOM 1708 CA ALA A 100 1.386 -1.672 -15.823 1.00 3.32 C ATOM 1709 C ALA A 100 2.250 -1.763 -17.067 1.00 31.41 C ATOM 1710 O ALA A 100 1.761 -2.043 -18.159 1.00 24.21 O ATOM 1711 CB ALA A 100 0.275 -2.710 -15.854 1.00 11.42 C ATOM 0 H ALA A 100 -0.158 -0.265 -15.911 1.00 13.50 H new ATOM 0 HA ALA A 100 1.992 -1.879 -14.941 1.00 3.32 H new ATOM 0 HB1 ALA A 100 0.710 -3.707 -15.921 1.00 11.42 H new ATOM 0 HB2 ALA A 100 -0.319 -2.634 -14.943 1.00 11.42 H new ATOM 0 HB3 ALA A 100 -0.363 -2.534 -16.720 1.00 11.42 H new ATOM 1717 N SER A 101 3.534 -1.500 -16.896 1.00 20.34 N ATOM 1718 CA SER A 101 4.452 -1.376 -18.017 1.00 15.44 C ATOM 1719 C SER A 101 4.708 -2.728 -18.673 1.00 62.45 C ATOM 1720 O SER A 101 5.292 -2.800 -19.754 1.00 62.24 O ATOM 1721 CB SER A 101 5.753 -0.737 -17.543 1.00 50.15 C ATOM 1722 OG SER A 101 5.493 0.494 -16.883 1.00 1.04 O ATOM 0 H SER A 101 3.968 -1.367 -15.983 1.00 20.34 H new ATOM 0 HA SER A 101 4.000 -0.734 -18.773 1.00 15.44 H new ATOM 0 HB2 SER A 101 6.273 -1.416 -16.867 1.00 50.15 H new ATOM 0 HB3 SER A 101 6.413 -0.568 -18.394 1.00 50.15 H new ATOM 0 HG SER A 101 6.338 0.890 -16.584 1.00 1.04 H new