USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 709 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 9 TYR OH : rot -128:sc= 0.214 USER MOD Set 1.2: A 42 GLN : amide:sc= 0.481 K(o=1.3,f=-6.1!) USER MOD Set 1.3: A 44 THR OG1 : rot 75:sc= 0.628 USER MOD Set 2.1: A 5 GLN : amide:sc= -1.67! C(o=-0.9!,f=-3.5!) USER MOD Set 2.2: A 72 THR OG1 : rot -8:sc= 0.772 USER MOD Set 3.1: A 3 GLN : amide:sc= 0.00374 K(o=0.0073,f=0.67) USER MOD Set 3.2: A 74 THR OG1 : rot -140:sc= 0.00352 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0 (180deg=-0.00742) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 86:sc= 0.345 USER MOD Single : A 12 ASN : amide:sc= -0.155 K(o=-0.16,f=-0.77) USER MOD Single : A 29 SER OG : rot 47:sc= 0.278 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.0653 USER MOD Single : A 33 THR OG1 : rot -160:sc= -0.314 USER MOD Single : A 35 THR OG1 : rot 180:sc=-9.6e-05 USER MOD Single : A 36 THR OG1 : rot 180:sc=-0.00333 USER MOD Single : A 38 ASN : amide:sc= -1.72! K(o=-1.7!,f=-0.016) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.195 K(o=-0.2,f=-1.9!) USER MOD Single : A 50 LYS NZ :NH3+ 161:sc= 0.0326 (180deg=-1.07) USER MOD Single : A 51 ASN : amide:sc= -0.308 X(o=-0.31,f=-0.032) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0.0248 X(o=0.025,f=-0.21) USER MOD Single : A 76 SER OG : rot 45:sc= 0.218 USER MOD Single : A 79 HIS : no HD1:sc= -0.0688 X(o=-0.069,f=-0.0028) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.0623 X(o=-0.062,f=-0.062) USER MOD Single : A 84 HIS : no HD1:sc= -0.0232 X(o=-0.023,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.930 11.426 -15.127 1.00 21.22 N ATOM 2 CA MET A 1 -1.507 11.747 -15.308 1.00 52.02 C ATOM 3 C MET A 1 -0.632 10.639 -14.703 1.00 73.43 C ATOM 4 O MET A 1 -0.137 10.756 -13.574 1.00 64.02 O ATOM 5 CB MET A 1 -1.192 13.143 -14.702 1.00 74.25 C ATOM 6 CG MET A 1 -1.835 14.318 -15.451 1.00 1.45 C ATOM 7 SD MET A 1 -1.315 15.921 -14.808 1.00 62.20 S ATOM 8 CE MET A 1 -2.039 17.046 -16.004 1.00 30.34 C ATOM 0 H1 MET A 1 -3.512 12.157 -15.585 1.00 21.22 H new ATOM 0 H2 MET A 1 -3.135 10.501 -15.557 1.00 21.22 H new ATOM 0 H3 MET A 1 -3.152 11.393 -14.111 1.00 21.22 H new ATOM 0 HA MET A 1 -1.277 11.796 -16.372 1.00 52.02 H new ATOM 0 HB2 MET A 1 -1.529 13.160 -13.666 1.00 74.25 H new ATOM 0 HB3 MET A 1 -0.111 13.284 -14.688 1.00 74.25 H new ATOM 0 HG2 MET A 1 -1.578 14.254 -16.508 1.00 1.45 H new ATOM 0 HG3 MET A 1 -2.920 14.238 -15.382 1.00 1.45 H new ATOM 0 HE1 MET A 1 -1.797 18.073 -15.730 1.00 30.34 H new ATOM 0 HE2 MET A 1 -1.639 16.831 -16.995 1.00 30.34 H new ATOM 0 HE3 MET A 1 -3.121 16.919 -16.014 1.00 30.34 H new ATOM 20 N GLY A 2 -0.508 9.531 -15.462 1.00 24.25 N ATOM 21 CA GLY A 2 0.386 8.431 -15.120 1.00 53.33 C ATOM 22 C GLY A 2 -0.133 7.512 -14.017 1.00 32.10 C ATOM 23 O GLY A 2 -1.248 7.686 -13.503 1.00 61.25 O ATOM 0 H GLY A 2 -1.029 9.384 -16.326 1.00 24.25 H new ATOM 0 HA2 GLY A 2 0.568 7.836 -16.015 1.00 53.33 H new ATOM 0 HA3 GLY A 2 1.346 8.843 -14.810 1.00 53.33 H new ATOM 27 N GLN A 3 0.692 6.516 -13.676 1.00 44.23 N ATOM 28 CA GLN A 3 0.396 5.517 -12.638 1.00 50.02 C ATOM 29 C GLN A 3 0.922 5.997 -11.276 1.00 4.43 C ATOM 30 O GLN A 3 2.125 6.232 -11.115 1.00 53.20 O ATOM 31 CB GLN A 3 1.065 4.166 -13.018 1.00 42.04 C ATOM 32 CG GLN A 3 0.977 3.057 -11.945 1.00 4.10 C ATOM 33 CD GLN A 3 1.883 1.860 -12.254 1.00 4.11 C ATOM 34 OE1 GLN A 3 1.472 0.909 -12.913 1.00 3.04 O ATOM 35 NE2 GLN A 3 3.128 1.913 -11.792 1.00 31.25 N ATOM 0 H GLN A 3 1.600 6.377 -14.120 1.00 44.23 H new ATOM 0 HA GLN A 3 -0.683 5.381 -12.567 1.00 50.02 H new ATOM 0 HB2 GLN A 3 0.605 3.798 -13.935 1.00 42.04 H new ATOM 0 HB3 GLN A 3 2.116 4.350 -13.240 1.00 42.04 H new ATOM 0 HG2 GLN A 3 1.250 3.473 -10.975 1.00 4.10 H new ATOM 0 HG3 GLN A 3 -0.055 2.715 -11.866 1.00 4.10 H new ATOM 0 HE21 GLN A 3 3.436 2.719 -11.248 1.00 31.25 H new ATOM 0 HE22 GLN A 3 3.775 1.148 -11.982 1.00 31.25 H new ATOM 44 N TRP A 4 0.016 6.147 -10.307 1.00 43.15 N ATOM 45 CA TRP A 4 0.383 6.434 -8.915 1.00 63.14 C ATOM 46 C TRP A 4 0.506 5.104 -8.160 1.00 70.13 C ATOM 47 O TRP A 4 -0.459 4.338 -8.065 1.00 63.02 O ATOM 48 CB TRP A 4 -0.650 7.389 -8.278 1.00 72.33 C ATOM 49 CG TRP A 4 -0.600 8.777 -8.889 1.00 63.11 C ATOM 50 CD1 TRP A 4 0.427 9.665 -8.779 1.00 24.11 C ATOM 51 CD2 TRP A 4 -1.589 9.422 -9.707 1.00 23.40 C ATOM 52 NE1 TRP A 4 0.150 10.808 -9.476 1.00 41.13 N ATOM 53 CE2 TRP A 4 -1.083 10.692 -10.048 1.00 60.03 C ATOM 54 CE3 TRP A 4 -2.845 9.057 -10.179 1.00 75.02 C ATOM 55 CZ2 TRP A 4 -1.788 11.593 -10.841 1.00 0.31 C ATOM 56 CZ3 TRP A 4 -3.546 9.952 -10.967 1.00 2.24 C ATOM 57 CH2 TRP A 4 -3.017 11.208 -11.289 1.00 74.33 C ATOM 0 H TRP A 4 -0.989 6.074 -10.462 1.00 43.15 H new ATOM 0 HA TRP A 4 1.345 6.943 -8.865 1.00 63.14 H new ATOM 0 HB2 TRP A 4 -1.650 6.975 -8.403 1.00 72.33 H new ATOM 0 HB3 TRP A 4 -0.465 7.459 -7.206 1.00 72.33 H new ATOM 0 HD1 TRP A 4 1.334 9.490 -8.219 1.00 24.11 H new ATOM 0 HE1 TRP A 4 0.766 11.617 -9.556 1.00 41.13 H new ATOM 0 HE3 TRP A 4 -3.265 8.093 -9.935 1.00 75.02 H new ATOM 0 HZ2 TRP A 4 -1.377 12.560 -11.092 1.00 0.31 H new ATOM 0 HZ3 TRP A 4 -4.521 9.677 -11.341 1.00 2.24 H new ATOM 0 HH2 TRP A 4 -3.593 11.884 -11.903 1.00 74.33 H new ATOM 68 N GLN A 5 1.718 4.836 -7.658 1.00 3.13 N ATOM 69 CA GLN A 5 2.122 3.519 -7.139 1.00 4.31 C ATOM 70 C GLN A 5 2.756 3.669 -5.736 1.00 10.23 C ATOM 71 O GLN A 5 3.807 4.293 -5.581 1.00 75.25 O ATOM 72 CB GLN A 5 3.108 2.873 -8.155 1.00 74.33 C ATOM 73 CG GLN A 5 3.748 1.542 -7.718 1.00 45.31 C ATOM 74 CD GLN A 5 4.663 0.961 -8.803 1.00 44.13 C ATOM 75 OE1 GLN A 5 4.245 0.143 -9.622 1.00 11.32 O ATOM 76 NE2 GLN A 5 5.898 1.430 -8.851 1.00 64.13 N ATOM 0 H GLN A 5 2.457 5.536 -7.599 1.00 3.13 H new ATOM 0 HA GLN A 5 1.254 2.869 -7.028 1.00 4.31 H new ATOM 0 HB2 GLN A 5 2.577 2.708 -9.092 1.00 74.33 H new ATOM 0 HB3 GLN A 5 3.905 3.587 -8.362 1.00 74.33 H new ATOM 0 HG2 GLN A 5 4.322 1.698 -6.805 1.00 45.31 H new ATOM 0 HG3 GLN A 5 2.964 0.823 -7.482 1.00 45.31 H new ATOM 0 HE21 GLN A 5 6.214 2.107 -8.157 1.00 64.13 H new ATOM 0 HE22 GLN A 5 6.535 1.114 -9.582 1.00 64.13 H new ATOM 85 N ILE A 6 2.080 3.106 -4.718 1.00 73.12 N ATOM 86 CA ILE A 6 2.551 3.088 -3.316 1.00 23.12 C ATOM 87 C ILE A 6 3.269 1.743 -3.072 1.00 11.41 C ATOM 88 O ILE A 6 2.722 0.691 -3.396 1.00 13.05 O ATOM 89 CB ILE A 6 1.336 3.232 -2.310 1.00 73.33 C ATOM 90 CG1 ILE A 6 0.393 4.402 -2.731 1.00 64.12 C ATOM 91 CG2 ILE A 6 1.822 3.424 -0.844 1.00 52.22 C ATOM 92 CD1 ILE A 6 -0.904 4.469 -1.947 1.00 4.31 C ATOM 0 H ILE A 6 1.179 2.644 -4.845 1.00 73.12 H new ATOM 0 HA ILE A 6 3.228 3.926 -3.147 1.00 23.12 H new ATOM 0 HB ILE A 6 0.771 2.301 -2.354 1.00 73.33 H new ATOM 0 HG12 ILE A 6 0.926 5.345 -2.610 1.00 64.12 H new ATOM 0 HG13 ILE A 6 0.159 4.302 -3.791 1.00 64.12 H new ATOM 0 HG21 ILE A 6 0.960 3.519 -0.184 1.00 52.22 H new ATOM 0 HG22 ILE A 6 2.417 2.562 -0.542 1.00 52.22 H new ATOM 0 HG23 ILE A 6 2.431 4.326 -0.778 1.00 52.22 H new ATOM 0 HD11 ILE A 6 -1.501 5.309 -2.302 1.00 4.31 H new ATOM 0 HD12 ILE A 6 -1.462 3.543 -2.087 1.00 4.31 H new ATOM 0 HD13 ILE A 6 -0.683 4.603 -0.888 1.00 4.31 H new ATOM 104 N LYS A 7 4.492 1.787 -2.538 1.00 13.43 N ATOM 105 CA LYS A 7 5.285 0.589 -2.219 1.00 42.41 C ATOM 106 C LYS A 7 5.573 0.566 -0.721 1.00 23.11 C ATOM 107 O LYS A 7 6.378 1.357 -0.226 1.00 73.22 O ATOM 108 CB LYS A 7 6.620 0.574 -2.996 1.00 73.44 C ATOM 109 CG LYS A 7 6.505 0.463 -4.527 1.00 30.11 C ATOM 110 CD LYS A 7 7.900 0.351 -5.172 1.00 24.25 C ATOM 111 CE LYS A 7 7.850 0.218 -6.684 1.00 51.15 C ATOM 112 NZ LYS A 7 9.208 0.071 -7.261 1.00 74.14 N ATOM 0 H LYS A 7 4.967 2.661 -2.312 1.00 13.43 H new ATOM 0 HA LYS A 7 4.712 -0.291 -2.511 1.00 42.41 H new ATOM 0 HB2 LYS A 7 7.167 1.486 -2.757 1.00 73.44 H new ATOM 0 HB3 LYS A 7 7.219 -0.262 -2.634 1.00 73.44 H new ATOM 0 HG2 LYS A 7 5.907 -0.410 -4.789 1.00 30.11 H new ATOM 0 HG3 LYS A 7 5.986 1.336 -4.922 1.00 30.11 H new ATOM 0 HD2 LYS A 7 8.486 1.232 -4.910 1.00 24.25 H new ATOM 0 HD3 LYS A 7 8.418 -0.512 -4.755 1.00 24.25 H new ATOM 0 HE2 LYS A 7 7.243 -0.646 -6.955 1.00 51.15 H new ATOM 0 HE3 LYS A 7 7.365 1.095 -7.112 1.00 51.15 H new ATOM 0 HZ1 LYS A 7 9.138 -0.017 -8.295 1.00 74.14 H new ATOM 0 HZ2 LYS A 7 9.779 0.907 -7.023 1.00 74.14 H new ATOM 0 HZ3 LYS A 7 9.661 -0.780 -6.871 1.00 74.14 H new ATOM 126 N ILE A 8 4.912 -0.340 -0.011 1.00 42.14 N ATOM 127 CA ILE A 8 5.085 -0.496 1.434 1.00 43.13 C ATOM 128 C ILE A 8 6.072 -1.657 1.658 1.00 55.34 C ATOM 129 O ILE A 8 5.702 -2.794 1.462 1.00 33.33 O ATOM 130 CB ILE A 8 3.683 -0.819 2.101 1.00 42.53 C ATOM 131 CG1 ILE A 8 2.571 0.152 1.569 1.00 13.34 C ATOM 132 CG2 ILE A 8 3.767 -0.770 3.650 1.00 1.22 C ATOM 133 CD1 ILE A 8 1.150 -0.293 1.870 1.00 62.23 C ATOM 0 H ILE A 8 4.239 -0.990 -0.418 1.00 42.14 H new ATOM 0 HA ILE A 8 5.473 0.417 1.886 1.00 43.13 H new ATOM 0 HB ILE A 8 3.410 -1.835 1.817 1.00 42.53 H new ATOM 0 HG12 ILE A 8 2.729 1.139 2.004 1.00 13.34 H new ATOM 0 HG13 ILE A 8 2.684 0.258 0.490 1.00 13.34 H new ATOM 0 HG21 ILE A 8 2.789 -0.996 4.075 1.00 1.22 H new ATOM 0 HG22 ILE A 8 4.493 -1.505 3.998 1.00 1.22 H new ATOM 0 HG23 ILE A 8 4.079 0.226 3.966 1.00 1.22 H new ATOM 0 HD11 ILE A 8 0.447 0.436 1.467 1.00 62.23 H new ATOM 0 HD12 ILE A 8 0.968 -1.265 1.411 1.00 62.23 H new ATOM 0 HD13 ILE A 8 1.014 -0.370 2.949 1.00 62.23 H new ATOM 145 N TYR A 9 7.336 -1.352 2.007 1.00 24.13 N ATOM 146 CA TYR A 9 8.365 -2.374 2.312 1.00 42.01 C ATOM 147 C TYR A 9 8.400 -2.635 3.829 1.00 34.33 C ATOM 148 O TYR A 9 8.721 -1.734 4.607 1.00 72.51 O ATOM 149 CB TYR A 9 9.773 -1.911 1.824 1.00 52.42 C ATOM 150 CG TYR A 9 9.955 -1.857 0.295 1.00 51.11 C ATOM 151 CD1 TYR A 9 9.585 -0.730 -0.447 1.00 74.10 C ATOM 152 CD2 TYR A 9 10.525 -2.933 -0.401 1.00 55.23 C ATOM 153 CE1 TYR A 9 9.763 -0.688 -1.820 1.00 55.34 C ATOM 154 CE2 TYR A 9 10.702 -2.888 -1.773 1.00 3.03 C ATOM 155 CZ TYR A 9 10.324 -1.762 -2.476 1.00 45.33 C ATOM 156 OH TYR A 9 10.493 -1.717 -3.847 1.00 13.22 O ATOM 0 H TYR A 9 7.676 -0.394 2.086 1.00 24.13 H new ATOM 0 HA TYR A 9 8.105 -3.293 1.787 1.00 42.01 H new ATOM 0 HB2 TYR A 9 9.973 -0.920 2.232 1.00 52.42 H new ATOM 0 HB3 TYR A 9 10.523 -2.584 2.239 1.00 52.42 H new ATOM 0 HD1 TYR A 9 9.154 0.121 0.059 1.00 74.10 H new ATOM 0 HD2 TYR A 9 10.832 -3.814 0.144 1.00 55.23 H new ATOM 0 HE1 TYR A 9 9.462 0.187 -2.377 1.00 55.34 H new ATOM 0 HE2 TYR A 9 11.134 -3.731 -2.292 1.00 3.03 H new ATOM 0 HH TYR A 9 10.096 -2.516 -4.252 1.00 13.22 H new ATOM 166 N SER A 10 8.095 -3.868 4.239 1.00 41.14 N ATOM 167 CA SER A 10 8.100 -4.282 5.652 1.00 34.01 C ATOM 168 C SER A 10 8.672 -5.703 5.780 1.00 43.13 C ATOM 169 O SER A 10 8.965 -6.365 4.779 1.00 33.33 O ATOM 170 CB SER A 10 6.664 -4.209 6.236 1.00 55.25 C ATOM 171 OG SER A 10 6.638 -4.426 7.643 1.00 61.25 O ATOM 0 H SER A 10 7.835 -4.617 3.597 1.00 41.14 H new ATOM 0 HA SER A 10 8.734 -3.603 6.222 1.00 34.01 H new ATOM 0 HB2 SER A 10 6.234 -3.232 6.014 1.00 55.25 H new ATOM 0 HB3 SER A 10 6.037 -4.953 5.745 1.00 55.25 H new ATOM 0 HG SER A 10 6.809 -3.580 8.108 1.00 61.25 H new ATOM 177 N GLU A 11 8.886 -6.127 7.027 1.00 62.11 N ATOM 178 CA GLU A 11 9.216 -7.523 7.381 1.00 13.33 C ATOM 179 C GLU A 11 8.024 -8.183 8.100 1.00 50.42 C ATOM 180 O GLU A 11 8.041 -9.388 8.359 1.00 64.23 O ATOM 181 CB GLU A 11 10.477 -7.542 8.281 1.00 71.45 C ATOM 182 CG GLU A 11 10.363 -6.703 9.573 1.00 54.43 C ATOM 183 CD GLU A 11 11.699 -6.542 10.313 1.00 13.04 C ATOM 184 OE1 GLU A 11 12.551 -5.748 9.844 1.00 64.54 O ATOM 185 OE2 GLU A 11 11.902 -7.197 11.360 1.00 4.30 O ATOM 0 H GLU A 11 8.836 -5.508 7.836 1.00 62.11 H new ATOM 0 HA GLU A 11 9.422 -8.090 6.473 1.00 13.33 H new ATOM 0 HB2 GLU A 11 10.697 -8.574 8.553 1.00 71.45 H new ATOM 0 HB3 GLU A 11 11.325 -7.178 7.702 1.00 71.45 H new ATOM 0 HG2 GLU A 11 9.972 -5.716 9.324 1.00 54.43 H new ATOM 0 HG3 GLU A 11 9.640 -7.173 10.240 1.00 54.43 H new ATOM 192 N ASN A 12 6.988 -7.373 8.398 1.00 62.43 N ATOM 193 CA ASN A 12 5.824 -7.773 9.201 1.00 13.30 C ATOM 194 C ASN A 12 4.579 -7.921 8.301 1.00 5.32 C ATOM 195 O ASN A 12 4.258 -7.016 7.514 1.00 55.15 O ATOM 196 CB ASN A 12 5.547 -6.703 10.290 1.00 44.43 C ATOM 197 CG ASN A 12 6.739 -6.389 11.208 1.00 65.14 C ATOM 198 OD1 ASN A 12 7.558 -7.254 11.511 1.00 62.23 O ATOM 199 ND2 ASN A 12 6.841 -5.145 11.658 1.00 53.55 N ATOM 0 H ASN A 12 6.940 -6.405 8.079 1.00 62.43 H new ATOM 0 HA ASN A 12 6.038 -8.731 9.674 1.00 13.30 H new ATOM 0 HB2 ASN A 12 5.231 -5.781 9.801 1.00 44.43 H new ATOM 0 HB3 ASN A 12 4.712 -7.039 10.905 1.00 44.43 H new ATOM 0 HD21 ASN A 12 7.614 -4.886 12.272 1.00 53.55 H new ATOM 0 HD22 ASN A 12 6.147 -4.447 11.390 1.00 53.55 H new ATOM 206 N GLU A 13 3.877 -9.058 8.451 1.00 73.32 N ATOM 207 CA GLU A 13 2.605 -9.348 7.752 1.00 1.13 C ATOM 208 C GLU A 13 1.457 -8.628 8.457 1.00 35.55 C ATOM 209 O GLU A 13 0.480 -8.267 7.817 1.00 54.23 O ATOM 210 CB GLU A 13 2.290 -10.877 7.707 1.00 41.21 C ATOM 211 CG GLU A 13 3.367 -11.780 7.056 1.00 44.44 C ATOM 212 CD GLU A 13 4.665 -11.904 7.884 1.00 33.34 C ATOM 213 OE1 GLU A 13 4.685 -12.676 8.867 1.00 52.24 O ATOM 214 OE2 GLU A 13 5.658 -11.212 7.577 1.00 1.01 O ATOM 0 H GLU A 13 4.178 -9.813 9.068 1.00 73.32 H new ATOM 0 HA GLU A 13 2.711 -8.995 6.726 1.00 1.13 H new ATOM 0 HB2 GLU A 13 2.125 -11.223 8.727 1.00 41.21 H new ATOM 0 HB3 GLU A 13 1.354 -11.018 7.167 1.00 41.21 H new ATOM 0 HG2 GLU A 13 2.949 -12.775 6.903 1.00 44.44 H new ATOM 0 HG3 GLU A 13 3.613 -11.383 6.071 1.00 44.44 H new ATOM 221 N ARG A 14 1.614 -8.445 9.788 1.00 53.22 N ATOM 222 CA ARG A 14 0.651 -7.740 10.654 1.00 42.22 C ATOM 223 C ARG A 14 0.336 -6.333 10.102 1.00 71.24 C ATOM 224 O ARG A 14 -0.837 -5.952 9.985 1.00 53.12 O ATOM 225 CB ARG A 14 1.240 -7.640 12.089 1.00 32.30 C ATOM 226 CG ARG A 14 0.357 -6.928 13.145 1.00 2.32 C ATOM 227 CD ARG A 14 -0.947 -7.679 13.454 1.00 51.41 C ATOM 228 NE ARG A 14 -0.693 -9.048 13.947 1.00 23.32 N ATOM 229 CZ ARG A 14 -1.596 -9.848 14.536 1.00 33.14 C ATOM 230 NH1 ARG A 14 -2.849 -9.451 14.735 1.00 73.32 N ATOM 231 NH2 ARG A 14 -1.242 -11.075 14.887 1.00 20.21 N ATOM 0 H ARG A 14 2.429 -8.790 10.296 1.00 53.22 H new ATOM 0 HA ARG A 14 -0.283 -8.301 10.678 1.00 42.22 H new ATOM 0 HB2 ARG A 14 1.451 -8.649 12.443 1.00 32.30 H new ATOM 0 HB3 ARG A 14 2.194 -7.116 12.032 1.00 32.30 H new ATOM 0 HG2 ARG A 14 0.928 -6.811 14.066 1.00 2.32 H new ATOM 0 HG3 ARG A 14 0.116 -5.926 12.790 1.00 2.32 H new ATOM 0 HD2 ARG A 14 -1.517 -7.125 14.200 1.00 51.41 H new ATOM 0 HD3 ARG A 14 -1.561 -7.726 12.554 1.00 51.41 H new ATOM 0 HE ARG A 14 0.250 -9.418 13.830 1.00 23.32 H new ATOM 0 HH11 ARG A 14 -3.142 -8.520 14.438 1.00 73.32 H new ATOM 0 HH12 ARG A 14 -3.517 -10.077 15.185 1.00 73.32 H new ATOM 0 HH21 ARG A 14 -0.293 -11.402 14.709 1.00 20.21 H new ATOM 0 HH22 ARG A 14 -1.919 -11.693 15.335 1.00 20.21 H new ATOM 245 N GLU A 15 1.403 -5.599 9.727 1.00 64.42 N ATOM 246 CA GLU A 15 1.290 -4.237 9.165 1.00 71.12 C ATOM 247 C GLU A 15 0.506 -4.259 7.843 1.00 72.25 C ATOM 248 O GLU A 15 -0.348 -3.401 7.590 1.00 5.42 O ATOM 249 CB GLU A 15 2.695 -3.620 8.924 1.00 51.44 C ATOM 250 CG GLU A 15 3.648 -3.643 10.136 1.00 10.11 C ATOM 251 CD GLU A 15 3.021 -3.129 11.448 1.00 51.22 C ATOM 252 OE1 GLU A 15 2.902 -1.899 11.622 1.00 14.50 O ATOM 253 OE2 GLU A 15 2.654 -3.960 12.314 1.00 23.23 O ATOM 0 H GLU A 15 2.364 -5.932 9.805 1.00 64.42 H new ATOM 0 HA GLU A 15 0.753 -3.623 9.888 1.00 71.12 H new ATOM 0 HB2 GLU A 15 3.170 -4.153 8.100 1.00 51.44 H new ATOM 0 HB3 GLU A 15 2.568 -2.586 8.603 1.00 51.44 H new ATOM 0 HG2 GLU A 15 3.997 -4.664 10.290 1.00 10.11 H new ATOM 0 HG3 GLU A 15 4.525 -3.038 9.905 1.00 10.11 H new ATOM 260 N PHE A 16 0.820 -5.273 7.021 1.00 31.12 N ATOM 261 CA PHE A 16 0.204 -5.483 5.702 1.00 20.35 C ATOM 262 C PHE A 16 -1.270 -5.858 5.809 1.00 74.25 C ATOM 263 O PHE A 16 -2.069 -5.382 5.009 1.00 30.13 O ATOM 264 CB PHE A 16 0.984 -6.570 4.908 1.00 4.24 C ATOM 265 CG PHE A 16 2.202 -6.039 4.169 1.00 44.22 C ATOM 266 CD1 PHE A 16 2.960 -4.973 4.671 1.00 23.24 C ATOM 267 CD2 PHE A 16 2.577 -6.593 2.955 1.00 25.02 C ATOM 268 CE1 PHE A 16 4.038 -4.494 3.970 1.00 32.21 C ATOM 269 CE2 PHE A 16 3.654 -6.107 2.260 1.00 20.33 C ATOM 270 CZ PHE A 16 4.383 -5.067 2.771 1.00 33.44 C ATOM 0 H PHE A 16 1.518 -5.979 7.257 1.00 31.12 H new ATOM 0 HA PHE A 16 0.259 -4.537 5.163 1.00 20.35 H new ATOM 0 HB2 PHE A 16 1.302 -7.351 5.598 1.00 4.24 H new ATOM 0 HB3 PHE A 16 0.309 -7.035 4.189 1.00 4.24 H new ATOM 0 HD1 PHE A 16 2.694 -4.525 5.617 1.00 23.24 H new ATOM 0 HD2 PHE A 16 2.012 -7.420 2.551 1.00 25.02 H new ATOM 0 HE1 PHE A 16 4.614 -3.668 4.361 1.00 32.21 H new ATOM 0 HE2 PHE A 16 3.927 -6.544 1.311 1.00 20.33 H new ATOM 0 HZ PHE A 16 5.237 -4.694 2.226 1.00 33.44 H new ATOM 280 N ARG A 17 -1.618 -6.689 6.815 1.00 15.15 N ATOM 281 CA ARG A 17 -2.981 -7.225 6.966 1.00 1.02 C ATOM 282 C ARG A 17 -3.994 -6.093 7.176 1.00 15.54 C ATOM 283 O ARG A 17 -5.102 -6.181 6.666 1.00 61.15 O ATOM 284 CB ARG A 17 -3.082 -8.272 8.108 1.00 60.54 C ATOM 285 CG ARG A 17 -2.429 -9.642 7.788 1.00 15.31 C ATOM 286 CD ARG A 17 -2.793 -10.721 8.821 1.00 54.42 C ATOM 287 NE ARG A 17 -2.135 -12.016 8.562 1.00 63.03 N ATOM 288 CZ ARG A 17 -2.763 -13.173 8.286 1.00 73.01 C ATOM 289 NH1 ARG A 17 -4.090 -13.233 8.209 1.00 0.01 N ATOM 290 NH2 ARG A 17 -2.053 -14.273 8.109 1.00 20.45 N ATOM 0 H ARG A 17 -0.968 -7.002 7.536 1.00 15.15 H new ATOM 0 HA ARG A 17 -3.222 -7.741 6.037 1.00 1.02 H new ATOM 0 HB2 ARG A 17 -2.613 -7.861 9.002 1.00 60.54 H new ATOM 0 HB3 ARG A 17 -4.134 -8.432 8.344 1.00 60.54 H new ATOM 0 HG2 ARG A 17 -2.745 -9.970 6.798 1.00 15.31 H new ATOM 0 HG3 ARG A 17 -1.346 -9.526 7.754 1.00 15.31 H new ATOM 0 HD2 ARG A 17 -2.515 -10.372 9.815 1.00 54.42 H new ATOM 0 HD3 ARG A 17 -3.874 -10.863 8.823 1.00 54.42 H new ATOM 0 HE ARG A 17 -1.116 -12.036 8.595 1.00 63.03 H new ATOM 0 HH11 ARG A 17 -4.648 -12.393 8.360 1.00 0.01 H new ATOM 0 HH12 ARG A 17 -4.549 -14.119 7.999 1.00 0.01 H new ATOM 0 HH21 ARG A 17 -1.036 -14.241 8.182 1.00 20.45 H new ATOM 0 HH22 ARG A 17 -2.522 -15.154 7.899 1.00 20.45 H new ATOM 304 N GLU A 18 -3.572 -5.011 7.874 1.00 31.22 N ATOM 305 CA GLU A 18 -4.380 -3.783 8.001 1.00 42.54 C ATOM 306 C GLU A 18 -4.784 -3.261 6.607 1.00 71.03 C ATOM 307 O GLU A 18 -5.983 -3.142 6.294 1.00 33.13 O ATOM 308 CB GLU A 18 -3.606 -2.680 8.784 1.00 60.52 C ATOM 309 CG GLU A 18 -3.426 -2.971 10.282 1.00 72.12 C ATOM 310 CD GLU A 18 -4.766 -3.032 11.054 1.00 32.24 C ATOM 311 OE1 GLU A 18 -5.301 -1.967 11.424 1.00 71.22 O ATOM 312 OE2 GLU A 18 -5.294 -4.149 11.284 1.00 65.43 O ATOM 0 H GLU A 18 -2.675 -4.968 8.357 1.00 31.22 H new ATOM 0 HA GLU A 18 -5.281 -4.029 8.562 1.00 42.54 H new ATOM 0 HB2 GLU A 18 -2.623 -2.552 8.331 1.00 60.52 H new ATOM 0 HB3 GLU A 18 -4.134 -1.733 8.671 1.00 60.52 H new ATOM 0 HG2 GLU A 18 -2.901 -3.919 10.401 1.00 72.12 H new ATOM 0 HG3 GLU A 18 -2.795 -2.199 10.723 1.00 72.12 H new ATOM 319 N LEU A 19 -3.768 -3.056 5.756 1.00 45.21 N ATOM 320 CA LEU A 19 -3.946 -2.499 4.407 1.00 60.53 C ATOM 321 C LEU A 19 -4.719 -3.452 3.490 1.00 73.54 C ATOM 322 O LEU A 19 -5.592 -3.001 2.766 1.00 20.30 O ATOM 323 CB LEU A 19 -2.589 -2.101 3.762 1.00 20.23 C ATOM 324 CG LEU A 19 -1.953 -0.771 4.289 1.00 32.03 C ATOM 325 CD1 LEU A 19 -2.930 0.430 4.117 1.00 54.30 C ATOM 326 CD2 LEU A 19 -1.449 -0.901 5.753 1.00 42.51 C ATOM 0 H LEU A 19 -2.798 -3.272 5.984 1.00 45.21 H new ATOM 0 HA LEU A 19 -4.541 -1.593 4.524 1.00 60.53 H new ATOM 0 HB2 LEU A 19 -1.879 -2.912 3.924 1.00 20.23 H new ATOM 0 HB3 LEU A 19 -2.731 -2.013 2.685 1.00 20.23 H new ATOM 0 HG LEU A 19 -1.075 -0.570 3.676 1.00 32.03 H new ATOM 0 HD11 LEU A 19 -2.459 1.339 4.492 1.00 54.30 H new ATOM 0 HD12 LEU A 19 -3.170 0.555 3.061 1.00 54.30 H new ATOM 0 HD13 LEU A 19 -3.845 0.238 4.677 1.00 54.30 H new ATOM 0 HD21 LEU A 19 -1.016 0.046 6.074 1.00 42.51 H new ATOM 0 HD22 LEU A 19 -2.285 -1.157 6.404 1.00 42.51 H new ATOM 0 HD23 LEU A 19 -0.692 -1.683 5.809 1.00 42.51 H new ATOM 338 N ILE A 20 -4.425 -4.763 3.558 1.00 14.24 N ATOM 339 CA ILE A 20 -5.112 -5.780 2.732 1.00 41.40 C ATOM 340 C ILE A 20 -6.625 -5.770 3.043 1.00 21.11 C ATOM 341 O ILE A 20 -7.452 -5.768 2.126 1.00 30.32 O ATOM 342 CB ILE A 20 -4.504 -7.226 2.942 1.00 62.10 C ATOM 343 CG1 ILE A 20 -2.983 -7.257 2.570 1.00 14.00 C ATOM 344 CG2 ILE A 20 -5.273 -8.307 2.141 1.00 61.24 C ATOM 345 CD1 ILE A 20 -2.652 -6.890 1.126 1.00 73.03 C ATOM 0 H ILE A 20 -3.713 -5.147 4.179 1.00 14.24 H new ATOM 0 HA ILE A 20 -4.958 -5.522 1.684 1.00 41.40 H new ATOM 0 HB ILE A 20 -4.612 -7.460 4.001 1.00 62.10 H new ATOM 0 HG12 ILE A 20 -2.451 -6.573 3.231 1.00 14.00 H new ATOM 0 HG13 ILE A 20 -2.598 -8.257 2.770 1.00 14.00 H new ATOM 0 HG21 ILE A 20 -4.819 -9.282 2.317 1.00 61.24 H new ATOM 0 HG22 ILE A 20 -6.314 -8.328 2.464 1.00 61.24 H new ATOM 0 HG23 ILE A 20 -5.228 -8.073 1.077 1.00 61.24 H new ATOM 0 HD11 ILE A 20 -1.574 -6.943 0.975 1.00 73.03 H new ATOM 0 HD12 ILE A 20 -3.148 -7.587 0.451 1.00 73.03 H new ATOM 0 HD13 ILE A 20 -2.998 -5.877 0.920 1.00 73.03 H new ATOM 357 N GLU A 21 -6.964 -5.662 4.346 1.00 72.41 N ATOM 358 CA GLU A 21 -8.359 -5.554 4.799 1.00 31.11 C ATOM 359 C GLU A 21 -9.021 -4.252 4.307 1.00 41.42 C ATOM 360 O GLU A 21 -10.235 -4.229 4.083 1.00 75.53 O ATOM 361 CB GLU A 21 -8.449 -5.652 6.344 1.00 12.21 C ATOM 362 CG GLU A 21 -8.018 -7.008 6.939 1.00 44.53 C ATOM 363 CD GLU A 21 -8.678 -8.222 6.267 1.00 32.42 C ATOM 364 OE1 GLU A 21 -9.830 -8.550 6.615 1.00 25.04 O ATOM 365 OE2 GLU A 21 -8.047 -8.859 5.385 1.00 42.10 O ATOM 0 H GLU A 21 -6.282 -5.648 5.104 1.00 72.41 H new ATOM 0 HA GLU A 21 -8.904 -6.391 4.363 1.00 31.11 H new ATOM 0 HB2 GLU A 21 -7.829 -4.868 6.779 1.00 12.21 H new ATOM 0 HB3 GLU A 21 -9.477 -5.450 6.646 1.00 12.21 H new ATOM 0 HG2 GLU A 21 -6.935 -7.103 6.855 1.00 44.53 H new ATOM 0 HG3 GLU A 21 -8.257 -7.019 8.002 1.00 44.53 H new ATOM 372 N ARG A 22 -8.224 -3.169 4.164 1.00 23.11 N ATOM 373 CA ARG A 22 -8.719 -1.909 3.570 1.00 31.50 C ATOM 374 C ARG A 22 -9.059 -2.129 2.078 1.00 72.32 C ATOM 375 O ARG A 22 -10.218 -2.003 1.678 1.00 51.23 O ATOM 376 CB ARG A 22 -7.692 -0.734 3.693 1.00 73.44 C ATOM 377 CG ARG A 22 -7.140 -0.452 5.111 1.00 4.45 C ATOM 378 CD ARG A 22 -8.216 -0.328 6.207 1.00 73.11 C ATOM 379 NE ARG A 22 -7.644 0.104 7.503 1.00 62.34 N ATOM 380 CZ ARG A 22 -7.305 -0.705 8.527 1.00 44.34 C ATOM 381 NH1 ARG A 22 -7.465 -2.020 8.446 1.00 23.51 N ATOM 382 NH2 ARG A 22 -6.816 -0.185 9.640 1.00 21.13 N ATOM 0 H ARG A 22 -7.245 -3.143 4.449 1.00 23.11 H new ATOM 0 HA ARG A 22 -9.610 -1.627 4.130 1.00 31.50 H new ATOM 0 HB2 ARG A 22 -6.850 -0.945 3.034 1.00 73.44 H new ATOM 0 HB3 ARG A 22 -8.166 0.175 3.323 1.00 73.44 H new ATOM 0 HG2 ARG A 22 -6.453 -1.252 5.384 1.00 4.45 H new ATOM 0 HG3 ARG A 22 -6.560 0.471 5.084 1.00 4.45 H new ATOM 0 HD2 ARG A 22 -8.975 0.387 5.890 1.00 73.11 H new ATOM 0 HD3 ARG A 22 -8.716 -1.288 6.334 1.00 73.11 H new ATOM 0 HE ARG A 22 -7.493 1.104 7.633 1.00 62.34 H new ATOM 0 HH11 ARG A 22 -7.851 -2.436 7.598 1.00 23.51 H new ATOM 0 HH12 ARG A 22 -7.202 -2.615 9.232 1.00 23.51 H new ATOM 0 HH21 ARG A 22 -6.696 0.825 9.722 1.00 21.13 H new ATOM 0 HH22 ARG A 22 -6.558 -0.794 10.417 1.00 21.13 H new ATOM 396 N LEU A 23 -8.038 -2.551 1.301 1.00 23.11 N ATOM 397 CA LEU A 23 -8.028 -2.514 -0.189 1.00 30.02 C ATOM 398 C LEU A 23 -9.123 -3.389 -0.824 1.00 60.00 C ATOM 399 O LEU A 23 -9.687 -3.034 -1.871 1.00 75.41 O ATOM 400 CB LEU A 23 -6.625 -2.943 -0.711 1.00 75.32 C ATOM 401 CG LEU A 23 -5.424 -2.123 -0.138 1.00 63.54 C ATOM 402 CD1 LEU A 23 -4.067 -2.707 -0.556 1.00 43.22 C ATOM 403 CD2 LEU A 23 -5.527 -0.633 -0.490 1.00 24.13 C ATOM 0 H LEU A 23 -7.178 -2.935 1.693 1.00 23.11 H new ATOM 0 HA LEU A 23 -8.244 -1.488 -0.486 1.00 30.02 H new ATOM 0 HB2 LEU A 23 -6.472 -3.996 -0.473 1.00 75.32 H new ATOM 0 HB3 LEU A 23 -6.617 -2.858 -1.798 1.00 75.32 H new ATOM 0 HG LEU A 23 -5.484 -2.206 0.947 1.00 63.54 H new ATOM 0 HD11 LEU A 23 -3.265 -2.102 -0.133 1.00 43.22 H new ATOM 0 HD12 LEU A 23 -3.982 -3.730 -0.189 1.00 43.22 H new ATOM 0 HD13 LEU A 23 -3.989 -2.704 -1.643 1.00 43.22 H new ATOM 0 HD21 LEU A 23 -4.672 -0.101 -0.072 1.00 24.13 H new ATOM 0 HD22 LEU A 23 -5.534 -0.515 -1.574 1.00 24.13 H new ATOM 0 HD23 LEU A 23 -6.448 -0.224 -0.074 1.00 24.13 H new ATOM 415 N GLU A 24 -9.418 -4.517 -0.167 1.00 71.01 N ATOM 416 CA GLU A 24 -10.451 -5.478 -0.615 1.00 63.21 C ATOM 417 C GLU A 24 -11.869 -4.911 -0.411 1.00 73.14 C ATOM 418 O GLU A 24 -12.810 -5.302 -1.103 1.00 64.41 O ATOM 419 CB GLU A 24 -10.261 -6.813 0.141 1.00 34.32 C ATOM 420 CG GLU A 24 -8.876 -7.455 -0.107 1.00 43.54 C ATOM 421 CD GLU A 24 -8.649 -8.763 0.659 1.00 14.51 C ATOM 422 OE1 GLU A 24 -8.763 -8.758 1.899 1.00 23.44 O ATOM 423 OE2 GLU A 24 -8.357 -9.806 0.027 1.00 15.41 O ATOM 0 H GLU A 24 -8.949 -4.796 0.695 1.00 71.01 H new ATOM 0 HA GLU A 24 -10.336 -5.656 -1.684 1.00 63.21 H new ATOM 0 HB2 GLU A 24 -10.390 -6.641 1.210 1.00 34.32 H new ATOM 0 HB3 GLU A 24 -11.040 -7.512 -0.165 1.00 34.32 H new ATOM 0 HG2 GLU A 24 -8.761 -7.646 -1.174 1.00 43.54 H new ATOM 0 HG3 GLU A 24 -8.101 -6.742 0.174 1.00 43.54 H new ATOM 430 N GLU A 25 -12.004 -3.985 0.552 1.00 44.30 N ATOM 431 CA GLU A 25 -13.263 -3.270 0.822 1.00 54.45 C ATOM 432 C GLU A 25 -13.309 -1.912 0.093 1.00 11.02 C ATOM 433 O GLU A 25 -14.389 -1.342 -0.057 1.00 10.41 O ATOM 434 CB GLU A 25 -13.424 -3.052 2.350 1.00 1.25 C ATOM 435 CG GLU A 25 -13.310 -4.327 3.209 1.00 53.12 C ATOM 436 CD GLU A 25 -14.390 -5.388 2.926 1.00 11.33 C ATOM 437 OE1 GLU A 25 -15.500 -5.282 3.485 1.00 65.45 O ATOM 438 OE2 GLU A 25 -14.132 -6.341 2.156 1.00 54.40 O ATOM 0 H GLU A 25 -11.239 -3.710 1.168 1.00 44.30 H new ATOM 0 HA GLU A 25 -14.085 -3.880 0.448 1.00 54.45 H new ATOM 0 HB2 GLU A 25 -12.667 -2.341 2.681 1.00 1.25 H new ATOM 0 HB3 GLU A 25 -14.395 -2.594 2.535 1.00 1.25 H new ATOM 0 HG2 GLU A 25 -12.329 -4.773 3.046 1.00 53.12 H new ATOM 0 HG3 GLU A 25 -13.361 -4.047 4.261 1.00 53.12 H new ATOM 445 N GLU A 26 -12.135 -1.393 -0.340 1.00 71.22 N ATOM 446 CA GLU A 26 -12.035 -0.054 -0.970 1.00 32.53 C ATOM 447 C GLU A 26 -12.567 -0.052 -2.400 1.00 42.23 C ATOM 448 O GLU A 26 -12.286 -0.962 -3.187 1.00 21.51 O ATOM 449 CB GLU A 26 -10.588 0.516 -0.915 1.00 21.14 C ATOM 450 CG GLU A 26 -10.104 0.906 0.496 1.00 71.02 C ATOM 451 CD GLU A 26 -11.100 1.801 1.261 1.00 23.12 C ATOM 452 OE1 GLU A 26 -11.015 3.040 1.149 1.00 71.33 O ATOM 453 OE2 GLU A 26 -11.979 1.265 1.974 1.00 0.41 O ATOM 0 H GLU A 26 -11.243 -1.882 -0.264 1.00 71.22 H new ATOM 0 HA GLU A 26 -12.670 0.607 -0.380 1.00 32.53 H new ATOM 0 HB2 GLU A 26 -9.904 -0.226 -1.327 1.00 21.14 H new ATOM 0 HB3 GLU A 26 -10.533 1.394 -1.559 1.00 21.14 H new ATOM 0 HG2 GLU A 26 -9.924 -0.001 1.074 1.00 71.02 H new ATOM 0 HG3 GLU A 26 -9.149 1.426 0.414 1.00 71.02 H new ATOM 460 N ARG A 27 -13.303 1.026 -2.712 1.00 64.41 N ATOM 461 CA ARG A 27 -14.086 1.181 -3.943 1.00 53.45 C ATOM 462 C ARG A 27 -13.187 1.766 -5.068 1.00 40.31 C ATOM 463 O ARG A 27 -12.207 2.444 -4.774 1.00 20.43 O ATOM 464 CB ARG A 27 -15.325 2.132 -3.700 1.00 31.13 C ATOM 465 CG ARG A 27 -15.930 2.147 -2.273 1.00 22.15 C ATOM 466 CD ARG A 27 -16.295 0.760 -1.720 1.00 40.35 C ATOM 467 NE ARG A 27 -17.191 0.000 -2.602 1.00 31.51 N ATOM 468 CZ ARG A 27 -17.245 -1.340 -2.676 1.00 30.35 C ATOM 469 NH1 ARG A 27 -16.450 -2.095 -1.923 1.00 55.31 N ATOM 470 NH2 ARG A 27 -18.091 -1.917 -3.514 1.00 12.14 N ATOM 0 H ARG A 27 -13.370 1.836 -2.096 1.00 64.41 H new ATOM 0 HA ARG A 27 -14.455 0.201 -4.245 1.00 53.45 H new ATOM 0 HB2 ARG A 27 -15.026 3.149 -3.952 1.00 31.13 H new ATOM 0 HB3 ARG A 27 -16.112 1.849 -4.399 1.00 31.13 H new ATOM 0 HG2 ARG A 27 -15.218 2.618 -1.595 1.00 22.15 H new ATOM 0 HG3 ARG A 27 -16.825 2.769 -2.278 1.00 22.15 H new ATOM 0 HD2 ARG A 27 -15.381 0.188 -1.562 1.00 40.35 H new ATOM 0 HD3 ARG A 27 -16.770 0.878 -0.746 1.00 40.35 H new ATOM 0 HE ARG A 27 -17.820 0.531 -3.204 1.00 31.51 H new ATOM 0 HH11 ARG A 27 -15.790 -1.657 -1.280 1.00 55.31 H new ATOM 0 HH12 ARG A 27 -16.500 -3.112 -1.988 1.00 55.31 H new ATOM 0 HH21 ARG A 27 -18.698 -1.345 -4.100 1.00 12.14 H new ATOM 0 HH22 ARG A 27 -18.136 -2.934 -3.574 1.00 12.14 H new ATOM 484 N PRO A 28 -13.484 1.498 -6.380 1.00 64.44 N ATOM 485 CA PRO A 28 -14.468 0.479 -6.831 1.00 23.11 C ATOM 486 C PRO A 28 -13.807 -0.886 -7.137 1.00 64.13 C ATOM 487 O PRO A 28 -14.505 -1.855 -7.452 1.00 42.34 O ATOM 488 CB PRO A 28 -15.040 1.162 -8.089 1.00 20.23 C ATOM 489 CG PRO A 28 -13.875 1.904 -8.695 1.00 53.34 C ATOM 490 CD PRO A 28 -12.911 2.231 -7.554 1.00 21.44 C ATOM 0 HA PRO A 28 -15.221 0.221 -6.086 1.00 23.11 H new ATOM 0 HB2 PRO A 28 -15.446 0.429 -8.786 1.00 20.23 H new ATOM 0 HB3 PRO A 28 -15.852 1.843 -7.834 1.00 20.23 H new ATOM 0 HG2 PRO A 28 -13.383 1.295 -9.453 1.00 53.34 H new ATOM 0 HG3 PRO A 28 -14.213 2.816 -9.188 1.00 53.34 H new ATOM 0 HD2 PRO A 28 -11.898 1.897 -7.778 1.00 21.44 H new ATOM 0 HD3 PRO A 28 -12.859 3.304 -7.369 1.00 21.44 H new ATOM 498 N SER A 29 -12.458 -0.913 -7.020 1.00 63.40 N ATOM 499 CA SER A 29 -11.587 -2.076 -7.261 1.00 3.23 C ATOM 500 C SER A 29 -10.130 -1.585 -7.201 1.00 23.34 C ATOM 501 O SER A 29 -9.604 -1.052 -8.193 1.00 24.42 O ATOM 502 CB SER A 29 -11.874 -2.765 -8.630 1.00 14.23 C ATOM 503 OG SER A 29 -11.907 -1.822 -9.702 1.00 43.42 O ATOM 0 H SER A 29 -11.929 -0.086 -6.743 1.00 63.40 H new ATOM 0 HA SER A 29 -11.781 -2.830 -6.498 1.00 3.23 H new ATOM 0 HB2 SER A 29 -11.107 -3.514 -8.828 1.00 14.23 H new ATOM 0 HB3 SER A 29 -12.827 -3.291 -8.579 1.00 14.23 H new ATOM 0 HG SER A 29 -11.137 -1.220 -9.632 1.00 43.42 H new ATOM 509 N VAL A 30 -9.487 -1.708 -6.029 1.00 4.43 N ATOM 510 CA VAL A 30 -8.090 -1.270 -5.850 1.00 53.44 C ATOM 511 C VAL A 30 -7.137 -2.398 -6.259 1.00 41.33 C ATOM 512 O VAL A 30 -7.233 -3.521 -5.751 1.00 34.44 O ATOM 513 CB VAL A 30 -7.772 -0.816 -4.376 1.00 33.20 C ATOM 514 CG1 VAL A 30 -6.273 -0.442 -4.210 1.00 51.24 C ATOM 515 CG2 VAL A 30 -8.687 0.353 -3.954 1.00 21.35 C ATOM 0 H VAL A 30 -9.910 -2.107 -5.191 1.00 4.43 H new ATOM 0 HA VAL A 30 -7.946 -0.400 -6.490 1.00 53.44 H new ATOM 0 HB VAL A 30 -7.974 -1.659 -3.716 1.00 33.20 H new ATOM 0 HG11 VAL A 30 -6.087 -0.133 -3.181 1.00 51.24 H new ATOM 0 HG12 VAL A 30 -5.654 -1.307 -4.447 1.00 51.24 H new ATOM 0 HG13 VAL A 30 -6.025 0.377 -4.885 1.00 51.24 H new ATOM 0 HG21 VAL A 30 -8.450 0.650 -2.932 1.00 21.35 H new ATOM 0 HG22 VAL A 30 -8.530 1.198 -4.624 1.00 21.35 H new ATOM 0 HG23 VAL A 30 -9.729 0.037 -4.007 1.00 21.35 H new ATOM 525 N GLN A 31 -6.236 -2.078 -7.199 1.00 30.22 N ATOM 526 CA GLN A 31 -5.181 -2.986 -7.654 1.00 75.25 C ATOM 527 C GLN A 31 -4.027 -2.979 -6.632 1.00 2.33 C ATOM 528 O GLN A 31 -3.450 -1.924 -6.347 1.00 34.14 O ATOM 529 CB GLN A 31 -4.679 -2.546 -9.051 1.00 31.04 C ATOM 530 CG GLN A 31 -5.762 -2.519 -10.144 1.00 21.32 C ATOM 531 CD GLN A 31 -5.243 -1.964 -11.473 1.00 51.35 C ATOM 532 OE1 GLN A 31 -4.743 -2.706 -12.318 1.00 60.04 O ATOM 533 NE2 GLN A 31 -5.332 -0.652 -11.650 1.00 54.40 N ATOM 0 H GLN A 31 -6.222 -1.172 -7.667 1.00 30.22 H new ATOM 0 HA GLN A 31 -5.574 -4.000 -7.734 1.00 75.25 H new ATOM 0 HB2 GLN A 31 -4.241 -1.551 -8.968 1.00 31.04 H new ATOM 0 HB3 GLN A 31 -3.882 -3.220 -9.365 1.00 31.04 H new ATOM 0 HG2 GLN A 31 -6.141 -3.529 -10.300 1.00 21.32 H new ATOM 0 HG3 GLN A 31 -6.601 -1.912 -9.804 1.00 21.32 H new ATOM 0 HE21 GLN A 31 -5.753 -0.067 -10.928 1.00 54.40 H new ATOM 0 HE22 GLN A 31 -4.980 -0.228 -12.508 1.00 54.40 H new ATOM 542 N TYR A 32 -3.727 -4.157 -6.071 1.00 43.04 N ATOM 543 CA TYR A 32 -2.624 -4.351 -5.115 1.00 53.33 C ATOM 544 C TYR A 32 -1.913 -5.674 -5.428 1.00 1.13 C ATOM 545 O TYR A 32 -2.540 -6.609 -5.945 1.00 65.30 O ATOM 546 CB TYR A 32 -3.150 -4.333 -3.654 1.00 64.01 C ATOM 547 CG TYR A 32 -4.122 -5.468 -3.278 1.00 14.34 C ATOM 548 CD1 TYR A 32 -5.476 -5.410 -3.626 1.00 22.13 C ATOM 549 CD2 TYR A 32 -3.686 -6.609 -2.585 1.00 34.31 C ATOM 550 CE1 TYR A 32 -6.348 -6.432 -3.300 1.00 73.32 C ATOM 551 CE2 TYR A 32 -4.560 -7.629 -2.256 1.00 43.53 C ATOM 552 CZ TYR A 32 -5.888 -7.538 -2.623 1.00 52.13 C ATOM 553 OH TYR A 32 -6.757 -8.564 -2.320 1.00 14.43 O ATOM 0 H TYR A 32 -4.247 -5.012 -6.268 1.00 43.04 H new ATOM 0 HA TYR A 32 -1.912 -3.531 -5.215 1.00 53.33 H new ATOM 0 HB2 TYR A 32 -2.295 -4.374 -2.979 1.00 64.01 H new ATOM 0 HB3 TYR A 32 -3.649 -3.380 -3.479 1.00 64.01 H new ATOM 0 HD1 TYR A 32 -5.848 -4.548 -4.161 1.00 22.13 H new ATOM 0 HD2 TYR A 32 -2.647 -6.692 -2.303 1.00 34.31 H new ATOM 0 HE1 TYR A 32 -7.390 -6.362 -3.577 1.00 73.32 H new ATOM 0 HE2 TYR A 32 -4.205 -8.493 -1.714 1.00 43.53 H new ATOM 0 HH TYR A 32 -6.275 -9.270 -1.842 1.00 14.43 H new ATOM 563 N THR A 33 -0.605 -5.743 -5.126 1.00 74.05 N ATOM 564 CA THR A 33 0.185 -6.977 -5.263 1.00 10.31 C ATOM 565 C THR A 33 1.251 -7.030 -4.151 1.00 20.23 C ATOM 566 O THR A 33 2.190 -6.228 -4.148 1.00 13.35 O ATOM 567 CB THR A 33 0.877 -7.069 -6.676 1.00 41.33 C ATOM 568 OG1 THR A 33 -0.104 -6.906 -7.718 1.00 51.53 O ATOM 569 CG2 THR A 33 1.609 -8.411 -6.888 1.00 11.20 C ATOM 0 H THR A 33 -0.068 -4.947 -4.781 1.00 74.05 H new ATOM 0 HA THR A 33 -0.491 -7.827 -5.170 1.00 10.31 H new ATOM 0 HB THR A 33 1.617 -6.269 -6.717 1.00 41.33 H new ATOM 0 HG1 THR A 33 0.247 -7.270 -8.558 1.00 51.53 H new ATOM 0 HG21 THR A 33 2.068 -8.423 -7.876 1.00 11.20 H new ATOM 0 HG22 THR A 33 2.381 -8.528 -6.128 1.00 11.20 H new ATOM 0 HG23 THR A 33 0.895 -9.231 -6.810 1.00 11.20 H new ATOM 577 N GLU A 34 1.102 -7.991 -3.225 1.00 44.14 N ATOM 578 CA GLU A 34 2.080 -8.242 -2.152 1.00 74.32 C ATOM 579 C GLU A 34 3.150 -9.188 -2.722 1.00 64.40 C ATOM 580 O GLU A 34 2.812 -10.210 -3.326 1.00 63.31 O ATOM 581 CB GLU A 34 1.354 -8.855 -0.912 1.00 22.10 C ATOM 582 CG GLU A 34 2.187 -8.919 0.398 1.00 35.11 C ATOM 583 CD GLU A 34 3.222 -10.063 0.478 1.00 44.53 C ATOM 584 OE1 GLU A 34 2.814 -11.223 0.691 1.00 5.14 O ATOM 585 OE2 GLU A 34 4.436 -9.821 0.327 1.00 12.43 O ATOM 0 H GLU A 34 0.298 -8.618 -3.199 1.00 44.14 H new ATOM 0 HA GLU A 34 2.556 -7.321 -1.816 1.00 74.32 H new ATOM 0 HB2 GLU A 34 0.453 -8.273 -0.719 1.00 22.10 H new ATOM 0 HB3 GLU A 34 1.033 -9.865 -1.166 1.00 22.10 H new ATOM 0 HG2 GLU A 34 2.710 -7.971 0.521 1.00 35.11 H new ATOM 0 HG3 GLU A 34 1.500 -9.015 1.239 1.00 35.11 H new ATOM 592 N THR A 35 4.429 -8.825 -2.543 1.00 64.53 N ATOM 593 CA THR A 35 5.564 -9.527 -3.150 1.00 31.33 C ATOM 594 C THR A 35 6.761 -9.508 -2.184 1.00 61.05 C ATOM 595 O THR A 35 7.369 -8.455 -1.975 1.00 32.02 O ATOM 596 CB THR A 35 5.973 -8.854 -4.507 1.00 62.40 C ATOM 597 OG1 THR A 35 4.825 -8.745 -5.368 1.00 12.21 O ATOM 598 CG2 THR A 35 7.075 -9.652 -5.228 1.00 31.34 C ATOM 0 H THR A 35 4.704 -8.029 -1.968 1.00 64.53 H new ATOM 0 HA THR A 35 5.268 -10.557 -3.348 1.00 31.33 H new ATOM 0 HB THR A 35 6.363 -7.862 -4.278 1.00 62.40 H new ATOM 0 HG1 THR A 35 5.088 -8.323 -6.212 1.00 12.21 H new ATOM 0 HG21 THR A 35 7.331 -9.155 -6.163 1.00 31.34 H new ATOM 0 HG22 THR A 35 7.959 -9.708 -4.593 1.00 31.34 H new ATOM 0 HG23 THR A 35 6.716 -10.659 -5.439 1.00 31.34 H new ATOM 606 N THR A 36 7.091 -10.668 -1.595 1.00 13.25 N ATOM 607 CA THR A 36 8.225 -10.789 -0.672 1.00 43.14 C ATOM 608 C THR A 36 9.540 -10.836 -1.489 1.00 24.25 C ATOM 609 O THR A 36 9.878 -11.852 -2.101 1.00 1.42 O ATOM 610 CB THR A 36 8.047 -12.041 0.251 1.00 62.43 C ATOM 611 OG1 THR A 36 6.716 -12.026 0.812 1.00 54.14 O ATOM 612 CG2 THR A 36 9.069 -12.066 1.406 1.00 45.13 C ATOM 0 H THR A 36 6.583 -11.540 -1.745 1.00 13.25 H new ATOM 0 HA THR A 36 8.269 -9.921 -0.014 1.00 43.14 H new ATOM 0 HB THR A 36 8.209 -12.928 -0.361 1.00 62.43 H new ATOM 0 HG1 THR A 36 6.596 -12.808 1.390 1.00 54.14 H new ATOM 0 HG21 THR A 36 8.905 -12.953 2.018 1.00 45.13 H new ATOM 0 HG22 THR A 36 10.079 -12.089 0.997 1.00 45.13 H new ATOM 0 HG23 THR A 36 8.946 -11.174 2.020 1.00 45.13 H new ATOM 620 N ARG A 37 10.234 -9.688 -1.518 1.00 51.22 N ATOM 621 CA ARG A 37 11.376 -9.419 -2.415 1.00 42.33 C ATOM 622 C ARG A 37 12.634 -9.085 -1.593 1.00 74.11 C ATOM 623 O ARG A 37 12.635 -8.096 -0.850 1.00 4.23 O ATOM 624 CB ARG A 37 10.995 -8.234 -3.348 1.00 64.20 C ATOM 625 CG ARG A 37 12.161 -7.619 -4.156 1.00 61.22 C ATOM 626 CD ARG A 37 11.722 -6.411 -5.004 1.00 42.23 C ATOM 627 NE ARG A 37 12.871 -5.668 -5.561 1.00 74.22 N ATOM 628 CZ ARG A 37 12.849 -4.369 -5.922 1.00 62.23 C ATOM 629 NH1 ARG A 37 11.741 -3.644 -5.799 1.00 31.20 N ATOM 630 NH2 ARG A 37 13.949 -3.800 -6.387 1.00 24.44 N ATOM 0 H ARG A 37 10.015 -8.902 -0.906 1.00 51.22 H new ATOM 0 HA ARG A 37 11.599 -10.301 -3.015 1.00 42.33 H new ATOM 0 HB2 ARG A 37 10.233 -8.576 -4.048 1.00 64.20 H new ATOM 0 HB3 ARG A 37 10.542 -7.449 -2.742 1.00 64.20 H new ATOM 0 HG2 ARG A 37 12.950 -7.309 -3.470 1.00 61.22 H new ATOM 0 HG3 ARG A 37 12.587 -8.381 -4.809 1.00 61.22 H new ATOM 0 HD2 ARG A 37 11.085 -6.755 -5.819 1.00 42.23 H new ATOM 0 HD3 ARG A 37 11.121 -5.739 -4.391 1.00 42.23 H new ATOM 0 HE ARG A 37 13.747 -6.176 -5.682 1.00 74.22 H new ATOM 0 HH11 ARG A 37 10.892 -4.069 -5.427 1.00 31.20 H new ATOM 0 HH12 ARG A 37 11.740 -2.662 -6.076 1.00 31.20 H new ATOM 0 HH21 ARG A 37 14.808 -4.344 -6.471 1.00 24.44 H new ATOM 0 HH22 ARG A 37 13.938 -2.818 -6.662 1.00 24.44 H new ATOM 644 N ASN A 38 13.691 -9.918 -1.743 1.00 73.02 N ATOM 645 CA ASN A 38 14.992 -9.755 -1.026 1.00 20.52 C ATOM 646 C ASN A 38 14.779 -9.805 0.507 1.00 42.44 C ATOM 647 O ASN A 38 15.549 -9.219 1.285 1.00 74.43 O ATOM 648 CB ASN A 38 15.727 -8.432 -1.459 1.00 10.50 C ATOM 649 CG ASN A 38 16.202 -8.376 -2.927 1.00 60.34 C ATOM 650 OD1 ASN A 38 17.239 -7.782 -3.233 1.00 1.50 O ATOM 651 ND2 ASN A 38 15.439 -8.941 -3.852 1.00 64.54 N ATOM 0 H ASN A 38 13.672 -10.726 -2.365 1.00 73.02 H new ATOM 0 HA ASN A 38 15.637 -10.588 -1.306 1.00 20.52 H new ATOM 0 HB2 ASN A 38 15.056 -7.591 -1.282 1.00 10.50 H new ATOM 0 HB3 ASN A 38 16.592 -8.291 -0.811 1.00 10.50 H new ATOM 0 HD21 ASN A 38 15.706 -8.889 -4.835 1.00 64.54 H new ATOM 0 HD22 ASN A 38 14.585 -9.428 -3.581 1.00 64.54 H new ATOM 658 N GLY A 39 13.718 -10.537 0.922 1.00 51.04 N ATOM 659 CA GLY A 39 13.325 -10.661 2.324 1.00 23.54 C ATOM 660 C GLY A 39 12.342 -9.585 2.771 1.00 5.21 C ATOM 661 O GLY A 39 11.591 -9.786 3.737 1.00 74.30 O ATOM 0 H GLY A 39 13.116 -11.056 0.282 1.00 51.04 H new ATOM 0 HA2 GLY A 39 12.877 -11.642 2.483 1.00 23.54 H new ATOM 0 HA3 GLY A 39 14.216 -10.612 2.950 1.00 23.54 H new ATOM 665 N ARG A 40 12.344 -8.433 2.068 1.00 42.43 N ATOM 666 CA ARG A 40 11.478 -7.290 2.390 1.00 54.21 C ATOM 667 C ARG A 40 10.225 -7.373 1.526 1.00 63.23 C ATOM 668 O ARG A 40 10.286 -7.178 0.302 1.00 71.14 O ATOM 669 CB ARG A 40 12.209 -5.938 2.146 1.00 60.24 C ATOM 670 CG ARG A 40 13.638 -5.854 2.726 1.00 13.21 C ATOM 671 CD ARG A 40 13.737 -6.222 4.222 1.00 14.24 C ATOM 672 NE ARG A 40 12.956 -5.322 5.092 1.00 73.33 N ATOM 673 CZ ARG A 40 12.833 -5.454 6.426 1.00 13.23 C ATOM 674 NH1 ARG A 40 13.426 -6.448 7.078 1.00 64.12 N ATOM 675 NH2 ARG A 40 12.104 -4.587 7.112 1.00 42.33 N ATOM 0 H ARG A 40 12.948 -8.274 1.262 1.00 42.43 H new ATOM 0 HA ARG A 40 11.213 -7.331 3.446 1.00 54.21 H new ATOM 0 HB2 ARG A 40 12.258 -5.757 1.072 1.00 60.24 H new ATOM 0 HB3 ARG A 40 11.610 -5.136 2.577 1.00 60.24 H new ATOM 0 HG2 ARG A 40 14.289 -6.518 2.156 1.00 13.21 H new ATOM 0 HG3 ARG A 40 14.015 -4.841 2.587 1.00 13.21 H new ATOM 0 HD2 ARG A 40 13.389 -7.245 4.362 1.00 14.24 H new ATOM 0 HD3 ARG A 40 14.783 -6.196 4.528 1.00 14.24 H new ATOM 0 HE ARG A 40 12.473 -4.541 4.649 1.00 73.33 H new ATOM 0 HH11 ARG A 40 13.987 -7.130 6.567 1.00 64.12 H new ATOM 0 HH12 ARG A 40 13.320 -6.530 8.089 1.00 64.12 H new ATOM 0 HH21 ARG A 40 11.636 -3.820 6.630 1.00 42.33 H new ATOM 0 HH22 ARG A 40 12.010 -4.687 8.123 1.00 42.33 H new ATOM 689 N ARG A 41 9.099 -7.687 2.158 1.00 2.13 N ATOM 690 CA ARG A 41 7.819 -7.795 1.464 1.00 32.20 C ATOM 691 C ARG A 41 7.316 -6.393 1.089 1.00 11.43 C ATOM 692 O ARG A 41 7.361 -5.477 1.907 1.00 61.52 O ATOM 693 CB ARG A 41 6.785 -8.569 2.317 1.00 51.14 C ATOM 694 CG ARG A 41 6.431 -7.957 3.694 1.00 11.41 C ATOM 695 CD ARG A 41 5.348 -8.757 4.444 1.00 33.44 C ATOM 696 NE ARG A 41 5.817 -10.083 4.880 1.00 31.01 N ATOM 697 CZ ARG A 41 5.630 -11.245 4.225 1.00 21.01 C ATOM 698 NH1 ARG A 41 4.977 -11.293 3.063 1.00 30.31 N ATOM 699 NH2 ARG A 41 6.102 -12.357 4.758 1.00 25.32 N ATOM 0 H ARG A 41 9.047 -7.873 3.160 1.00 2.13 H new ATOM 0 HA ARG A 41 7.958 -8.366 0.546 1.00 32.20 H new ATOM 0 HB2 ARG A 41 5.866 -8.662 1.738 1.00 51.14 H new ATOM 0 HB3 ARG A 41 7.163 -9.578 2.479 1.00 51.14 H new ATOM 0 HG2 ARG A 41 7.331 -7.910 4.307 1.00 11.41 H new ATOM 0 HG3 ARG A 41 6.087 -6.932 3.553 1.00 11.41 H new ATOM 0 HD2 ARG A 41 5.020 -8.188 5.314 1.00 33.44 H new ATOM 0 HD3 ARG A 41 4.479 -8.879 3.797 1.00 33.44 H new ATOM 0 HE ARG A 41 6.331 -10.126 5.760 1.00 31.01 H new ATOM 0 HH11 ARG A 41 4.606 -10.437 2.651 1.00 30.31 H new ATOM 0 HH12 ARG A 41 4.849 -12.186 2.587 1.00 30.31 H new ATOM 0 HH21 ARG A 41 6.597 -12.325 5.649 1.00 25.32 H new ATOM 0 HH22 ARG A 41 5.971 -13.248 4.279 1.00 25.32 H new ATOM 713 N GLN A 42 6.889 -6.217 -0.167 1.00 64.12 N ATOM 714 CA GLN A 42 6.375 -4.940 -0.667 1.00 62.02 C ATOM 715 C GLN A 42 4.926 -5.095 -1.120 1.00 2.35 C ATOM 716 O GLN A 42 4.584 -6.033 -1.845 1.00 41.25 O ATOM 717 CB GLN A 42 7.255 -4.371 -1.806 1.00 44.20 C ATOM 718 CG GLN A 42 7.445 -5.293 -3.026 1.00 62.31 C ATOM 719 CD GLN A 42 8.050 -4.564 -4.221 1.00 44.20 C ATOM 720 OE1 GLN A 42 9.265 -4.491 -4.377 1.00 33.11 O ATOM 721 NE2 GLN A 42 7.196 -3.996 -5.052 1.00 21.20 N ATOM 0 H GLN A 42 6.891 -6.960 -0.866 1.00 64.12 H new ATOM 0 HA GLN A 42 6.411 -4.222 0.152 1.00 62.02 H new ATOM 0 HB2 GLN A 42 6.815 -3.434 -2.147 1.00 44.20 H new ATOM 0 HB3 GLN A 42 8.237 -4.132 -1.397 1.00 44.20 H new ATOM 0 HG2 GLN A 42 8.089 -6.128 -2.750 1.00 62.31 H new ATOM 0 HG3 GLN A 42 6.482 -5.715 -3.312 1.00 62.31 H new ATOM 0 HE21 GLN A 42 6.193 -4.079 -4.888 1.00 21.20 H new ATOM 0 HE22 GLN A 42 7.539 -3.474 -5.858 1.00 21.20 H new ATOM 730 N LEU A 43 4.076 -4.168 -0.671 1.00 72.22 N ATOM 731 CA LEU A 43 2.671 -4.101 -1.072 1.00 41.02 C ATOM 732 C LEU A 43 2.588 -3.002 -2.142 1.00 64.51 C ATOM 733 O LEU A 43 2.763 -1.821 -1.825 1.00 4.02 O ATOM 734 CB LEU A 43 1.788 -3.784 0.181 1.00 21.11 C ATOM 735 CG LEU A 43 0.359 -4.418 0.229 1.00 5.54 C ATOM 736 CD1 LEU A 43 -0.363 -4.052 1.546 1.00 11.35 C ATOM 737 CD2 LEU A 43 -0.491 -4.041 -0.999 1.00 13.10 C ATOM 0 H LEU A 43 4.347 -3.437 -0.013 1.00 72.22 H new ATOM 0 HA LEU A 43 2.302 -5.042 -1.480 1.00 41.02 H new ATOM 0 HB2 LEU A 43 2.332 -4.109 1.068 1.00 21.11 H new ATOM 0 HB3 LEU A 43 1.680 -2.702 0.253 1.00 21.11 H new ATOM 0 HG LEU A 43 0.487 -5.500 0.200 1.00 5.54 H new ATOM 0 HD11 LEU A 43 -1.355 -4.505 1.555 1.00 11.35 H new ATOM 0 HD12 LEU A 43 0.214 -4.424 2.393 1.00 11.35 H new ATOM 0 HD13 LEU A 43 -0.458 -2.969 1.620 1.00 11.35 H new ATOM 0 HD21 LEU A 43 -1.474 -4.506 -0.918 1.00 13.10 H new ATOM 0 HD22 LEU A 43 -0.605 -2.958 -1.044 1.00 13.10 H new ATOM 0 HD23 LEU A 43 0.003 -4.392 -1.905 1.00 13.10 H new ATOM 749 N THR A 44 2.357 -3.406 -3.397 1.00 42.33 N ATOM 750 CA THR A 44 2.404 -2.507 -4.551 1.00 50.15 C ATOM 751 C THR A 44 0.967 -2.130 -4.948 1.00 5.12 C ATOM 752 O THR A 44 0.245 -2.934 -5.547 1.00 74.11 O ATOM 753 CB THR A 44 3.150 -3.188 -5.752 1.00 43.53 C ATOM 754 OG1 THR A 44 4.298 -3.899 -5.260 1.00 13.45 O ATOM 755 CG2 THR A 44 3.604 -2.157 -6.804 1.00 5.40 C ATOM 0 H THR A 44 2.131 -4.371 -3.639 1.00 42.33 H new ATOM 0 HA THR A 44 2.956 -1.605 -4.287 1.00 50.15 H new ATOM 0 HB THR A 44 2.452 -3.874 -6.232 1.00 43.53 H new ATOM 0 HG1 THR A 44 4.008 -4.727 -4.824 1.00 13.45 H new ATOM 0 HG21 THR A 44 4.116 -2.670 -7.618 1.00 5.40 H new ATOM 0 HG22 THR A 44 2.734 -1.631 -7.197 1.00 5.40 H new ATOM 0 HG23 THR A 44 4.283 -1.441 -6.342 1.00 5.40 H new ATOM 763 N ILE A 45 0.572 -0.912 -4.584 1.00 61.20 N ATOM 764 CA ILE A 45 -0.779 -0.382 -4.789 1.00 5.54 C ATOM 765 C ILE A 45 -0.759 0.568 -5.995 1.00 10.31 C ATOM 766 O ILE A 45 -0.129 1.620 -5.937 1.00 65.34 O ATOM 767 CB ILE A 45 -1.253 0.381 -3.501 1.00 3.44 C ATOM 768 CG1 ILE A 45 -1.163 -0.556 -2.251 1.00 73.42 C ATOM 769 CG2 ILE A 45 -2.675 0.952 -3.685 1.00 33.10 C ATOM 770 CD1 ILE A 45 -1.380 0.132 -0.921 1.00 53.15 C ATOM 0 H ILE A 45 1.196 -0.248 -4.127 1.00 61.20 H new ATOM 0 HA ILE A 45 -1.475 -1.199 -4.981 1.00 5.54 H new ATOM 0 HB ILE A 45 -0.587 1.228 -3.334 1.00 3.44 H new ATOM 0 HG12 ILE A 45 -1.902 -1.351 -2.357 1.00 73.42 H new ATOM 0 HG13 ILE A 45 -0.182 -1.032 -2.242 1.00 73.42 H new ATOM 0 HG21 ILE A 45 -2.977 1.475 -2.778 1.00 33.10 H new ATOM 0 HG22 ILE A 45 -2.682 1.648 -4.524 1.00 33.10 H new ATOM 0 HG23 ILE A 45 -3.371 0.137 -3.883 1.00 33.10 H new ATOM 0 HD11 ILE A 45 -1.299 -0.598 -0.116 1.00 53.15 H new ATOM 0 HD12 ILE A 45 -0.626 0.907 -0.785 1.00 53.15 H new ATOM 0 HD13 ILE A 45 -2.372 0.583 -0.902 1.00 53.15 H new ATOM 782 N ARG A 46 -1.432 0.186 -7.086 1.00 21.21 N ATOM 783 CA ARG A 46 -1.432 0.956 -8.343 1.00 41.43 C ATOM 784 C ARG A 46 -2.854 1.414 -8.676 1.00 71.01 C ATOM 785 O ARG A 46 -3.748 0.593 -8.895 1.00 41.50 O ATOM 786 CB ARG A 46 -0.817 0.085 -9.472 1.00 23.11 C ATOM 787 CG ARG A 46 0.712 -0.106 -9.332 1.00 33.11 C ATOM 788 CD ARG A 46 1.262 -1.244 -10.201 1.00 75.12 C ATOM 789 NE ARG A 46 0.786 -2.558 -9.732 1.00 45.01 N ATOM 790 CZ ARG A 46 1.555 -3.637 -9.519 1.00 14.10 C ATOM 791 NH1 ARG A 46 2.865 -3.608 -9.738 1.00 23.34 N ATOM 792 NH2 ARG A 46 1.006 -4.736 -9.053 1.00 12.13 N ATOM 0 H ARG A 46 -1.993 -0.665 -7.126 1.00 21.21 H new ATOM 0 HA ARG A 46 -0.822 1.853 -8.238 1.00 41.43 H new ATOM 0 HB2 ARG A 46 -1.300 -0.892 -9.472 1.00 23.11 H new ATOM 0 HB3 ARG A 46 -1.032 0.547 -10.436 1.00 23.11 H new ATOM 0 HG2 ARG A 46 1.214 0.823 -9.602 1.00 33.11 H new ATOM 0 HG3 ARG A 46 0.952 -0.306 -8.288 1.00 33.11 H new ATOM 0 HD2 ARG A 46 0.957 -1.093 -11.236 1.00 75.12 H new ATOM 0 HD3 ARG A 46 2.352 -1.223 -10.184 1.00 75.12 H new ATOM 0 HE ARG A 46 -0.214 -2.655 -9.554 1.00 45.01 H new ATOM 0 HH11 ARG A 46 3.307 -2.753 -10.075 1.00 23.34 H new ATOM 0 HH12 ARG A 46 3.429 -4.441 -9.569 1.00 23.34 H new ATOM 0 HH21 ARG A 46 0.005 -4.763 -8.857 1.00 12.13 H new ATOM 0 HH22 ARG A 46 1.580 -5.562 -8.887 1.00 12.13 H new ATOM 806 N SER A 47 -3.052 2.736 -8.678 1.00 42.32 N ATOM 807 CA SER A 47 -4.319 3.377 -9.033 1.00 41.42 C ATOM 808 C SER A 47 -4.041 4.574 -9.958 1.00 13.34 C ATOM 809 O SER A 47 -3.076 5.324 -9.756 1.00 65.42 O ATOM 810 CB SER A 47 -5.072 3.821 -7.751 1.00 42.12 C ATOM 811 OG SER A 47 -5.375 2.715 -6.907 1.00 55.31 O ATOM 0 H SER A 47 -2.321 3.402 -8.428 1.00 42.32 H new ATOM 0 HA SER A 47 -4.955 2.667 -9.562 1.00 41.42 H new ATOM 0 HB2 SER A 47 -4.464 4.541 -7.203 1.00 42.12 H new ATOM 0 HB3 SER A 47 -5.995 4.330 -8.029 1.00 42.12 H new ATOM 0 HG SER A 47 -5.847 3.032 -6.109 1.00 55.31 H new ATOM 817 N ASN A 48 -4.904 4.735 -10.972 1.00 73.34 N ATOM 818 CA ASN A 48 -4.821 5.823 -11.967 1.00 22.25 C ATOM 819 C ASN A 48 -5.713 7.015 -11.549 1.00 42.12 C ATOM 820 O ASN A 48 -6.113 7.828 -12.383 1.00 13.24 O ATOM 821 CB ASN A 48 -5.209 5.276 -13.378 1.00 64.34 C ATOM 822 CG ASN A 48 -6.554 4.527 -13.435 1.00 64.21 C ATOM 823 OD1 ASN A 48 -7.475 4.781 -12.655 1.00 4.03 O ATOM 824 ND2 ASN A 48 -6.673 3.595 -14.365 1.00 2.52 N ATOM 0 H ASN A 48 -5.692 4.106 -11.129 1.00 73.34 H new ATOM 0 HA ASN A 48 -3.796 6.191 -12.015 1.00 22.25 H new ATOM 0 HB2 ASN A 48 -5.244 6.111 -14.078 1.00 64.34 H new ATOM 0 HB3 ASN A 48 -4.421 4.605 -13.721 1.00 64.34 H new ATOM 0 HD21 ASN A 48 -7.542 3.067 -14.450 1.00 2.52 H new ATOM 0 HD22 ASN A 48 -5.896 3.404 -14.998 1.00 2.52 H new ATOM 831 N ASP A 49 -5.992 7.119 -10.241 1.00 74.44 N ATOM 832 CA ASP A 49 -6.819 8.185 -9.666 1.00 5.43 C ATOM 833 C ASP A 49 -6.151 8.677 -8.380 1.00 24.13 C ATOM 834 O ASP A 49 -5.946 7.887 -7.448 1.00 41.04 O ATOM 835 CB ASP A 49 -8.250 7.663 -9.383 1.00 31.54 C ATOM 836 CG ASP A 49 -9.170 8.751 -8.805 1.00 21.24 C ATOM 837 OD1 ASP A 49 -9.671 9.593 -9.579 1.00 41.54 O ATOM 838 OD2 ASP A 49 -9.367 8.790 -7.576 1.00 64.52 O ATOM 0 H ASP A 49 -5.645 6.457 -9.547 1.00 74.44 H new ATOM 0 HA ASP A 49 -6.905 9.013 -10.370 1.00 5.43 H new ATOM 0 HB2 ASP A 49 -8.683 7.279 -10.307 1.00 31.54 H new ATOM 0 HB3 ASP A 49 -8.197 6.828 -8.685 1.00 31.54 H new ATOM 843 N LYS A 50 -5.812 9.983 -8.346 1.00 74.45 N ATOM 844 CA LYS A 50 -5.066 10.600 -7.234 1.00 62.10 C ATOM 845 C LYS A 50 -5.891 10.576 -5.933 1.00 53.32 C ATOM 846 O LYS A 50 -5.325 10.397 -4.866 1.00 23.52 O ATOM 847 CB LYS A 50 -4.604 12.066 -7.577 1.00 61.33 C ATOM 848 CG LYS A 50 -3.108 12.384 -7.248 1.00 13.41 C ATOM 849 CD LYS A 50 -2.670 12.162 -5.762 1.00 20.41 C ATOM 850 CE LYS A 50 -3.118 13.271 -4.776 1.00 63.43 C ATOM 851 NZ LYS A 50 -4.586 13.285 -4.522 1.00 2.04 N ATOM 0 H LYS A 50 -6.049 10.638 -9.091 1.00 74.45 H new ATOM 0 HA LYS A 50 -4.167 10.003 -7.081 1.00 62.10 H new ATOM 0 HB2 LYS A 50 -4.772 12.244 -8.639 1.00 61.33 H new ATOM 0 HB3 LYS A 50 -5.237 12.767 -7.032 1.00 61.33 H new ATOM 0 HG2 LYS A 50 -2.477 11.767 -7.888 1.00 13.41 H new ATOM 0 HG3 LYS A 50 -2.911 13.423 -7.513 1.00 13.41 H new ATOM 0 HD2 LYS A 50 -3.071 11.208 -5.419 1.00 20.41 H new ATOM 0 HD3 LYS A 50 -1.583 12.082 -5.727 1.00 20.41 H new ATOM 0 HE2 LYS A 50 -2.595 13.137 -3.829 1.00 63.43 H new ATOM 0 HE3 LYS A 50 -2.817 14.241 -5.172 1.00 63.43 H new ATOM 0 HZ1 LYS A 50 -4.781 13.807 -3.644 1.00 2.04 H new ATOM 0 HZ2 LYS A 50 -5.071 13.749 -5.316 1.00 2.04 H new ATOM 0 HZ3 LYS A 50 -4.931 12.309 -4.428 1.00 2.04 H new ATOM 865 N ASN A 51 -7.220 10.746 -6.041 1.00 13.05 N ATOM 866 CA ASN A 51 -8.115 10.833 -4.860 1.00 22.43 C ATOM 867 C ASN A 51 -8.082 9.513 -4.071 1.00 42.33 C ATOM 868 O ASN A 51 -7.861 9.503 -2.854 1.00 61.53 O ATOM 869 CB ASN A 51 -9.582 11.149 -5.281 1.00 42.22 C ATOM 870 CG ASN A 51 -9.696 12.331 -6.245 1.00 5.32 C ATOM 871 OD1 ASN A 51 -9.788 13.488 -5.834 1.00 32.40 O ATOM 872 ND2 ASN A 51 -9.682 12.049 -7.538 1.00 52.10 N ATOM 0 H ASN A 51 -7.705 10.827 -6.935 1.00 13.05 H new ATOM 0 HA ASN A 51 -7.754 11.646 -4.230 1.00 22.43 H new ATOM 0 HB2 ASN A 51 -10.016 10.265 -5.748 1.00 42.22 H new ATOM 0 HB3 ASN A 51 -10.171 11.360 -4.388 1.00 42.22 H new ATOM 0 HD21 ASN A 51 -9.748 12.800 -8.225 1.00 52.10 H new ATOM 0 HD22 ASN A 51 -9.605 11.080 -7.848 1.00 52.10 H new ATOM 879 N GLU A 52 -8.250 8.402 -4.806 1.00 35.41 N ATOM 880 CA GLU A 52 -8.425 7.072 -4.215 1.00 30.44 C ATOM 881 C GLU A 52 -7.081 6.502 -3.717 1.00 12.41 C ATOM 882 O GLU A 52 -7.021 5.912 -2.632 1.00 24.31 O ATOM 883 CB GLU A 52 -9.094 6.113 -5.242 1.00 61.33 C ATOM 884 CG GLU A 52 -9.629 4.798 -4.636 1.00 51.35 C ATOM 885 CD GLU A 52 -10.668 5.038 -3.520 1.00 30.34 C ATOM 886 OE1 GLU A 52 -11.865 5.266 -3.834 1.00 2.00 O ATOM 887 OE2 GLU A 52 -10.299 5.017 -2.329 1.00 21.23 O ATOM 0 H GLU A 52 -8.268 8.404 -5.826 1.00 35.41 H new ATOM 0 HA GLU A 52 -9.081 7.164 -3.349 1.00 30.44 H new ATOM 0 HB2 GLU A 52 -9.918 6.637 -5.726 1.00 61.33 H new ATOM 0 HB3 GLU A 52 -8.370 5.871 -6.020 1.00 61.33 H new ATOM 0 HG2 GLU A 52 -10.081 4.196 -5.425 1.00 51.35 H new ATOM 0 HG3 GLU A 52 -8.796 4.222 -4.234 1.00 51.35 H new ATOM 894 N VAL A 53 -6.007 6.700 -4.512 1.00 34.43 N ATOM 895 CA VAL A 53 -4.652 6.225 -4.151 1.00 53.12 C ATOM 896 C VAL A 53 -4.135 6.969 -2.895 1.00 71.22 C ATOM 897 O VAL A 53 -3.456 6.390 -2.045 1.00 71.54 O ATOM 898 CB VAL A 53 -3.635 6.371 -5.356 1.00 70.12 C ATOM 899 CG1 VAL A 53 -3.195 7.834 -5.590 1.00 44.31 C ATOM 900 CG2 VAL A 53 -2.414 5.436 -5.200 1.00 22.32 C ATOM 0 H VAL A 53 -6.051 7.185 -5.408 1.00 34.43 H new ATOM 0 HA VAL A 53 -4.724 5.162 -3.920 1.00 53.12 H new ATOM 0 HB VAL A 53 -4.178 6.058 -6.248 1.00 70.12 H new ATOM 0 HG11 VAL A 53 -2.498 7.875 -6.427 1.00 44.31 H new ATOM 0 HG12 VAL A 53 -4.069 8.445 -5.815 1.00 44.31 H new ATOM 0 HG13 VAL A 53 -2.707 8.215 -4.693 1.00 44.31 H new ATOM 0 HG21 VAL A 53 -1.743 5.569 -6.049 1.00 22.32 H new ATOM 0 HG22 VAL A 53 -1.886 5.678 -4.278 1.00 22.32 H new ATOM 0 HG23 VAL A 53 -2.751 4.400 -5.163 1.00 22.32 H new ATOM 910 N ASP A 54 -4.529 8.256 -2.769 1.00 1.52 N ATOM 911 CA ASP A 54 -4.096 9.133 -1.669 1.00 53.52 C ATOM 912 C ASP A 54 -4.910 8.852 -0.398 1.00 24.14 C ATOM 913 O ASP A 54 -4.447 9.145 0.702 1.00 43.10 O ATOM 914 CB ASP A 54 -4.228 10.613 -2.093 1.00 31.00 C ATOM 915 CG ASP A 54 -3.500 11.593 -1.160 1.00 5.10 C ATOM 916 OD1 ASP A 54 -2.276 11.775 -1.330 1.00 61.11 O ATOM 917 OD2 ASP A 54 -4.134 12.176 -0.251 1.00 33.31 O ATOM 0 H ASP A 54 -5.157 8.712 -3.431 1.00 1.52 H new ATOM 0 HA ASP A 54 -3.049 8.927 -1.446 1.00 53.52 H new ATOM 0 HB2 ASP A 54 -3.835 10.728 -3.103 1.00 31.00 H new ATOM 0 HB3 ASP A 54 -5.285 10.878 -2.130 1.00 31.00 H new ATOM 922 N ARG A 55 -6.127 8.280 -0.566 1.00 35.42 N ATOM 923 CA ARG A 55 -6.969 7.830 0.566 1.00 65.34 C ATOM 924 C ARG A 55 -6.293 6.653 1.302 1.00 10.23 C ATOM 925 O ARG A 55 -6.397 6.513 2.532 1.00 32.14 O ATOM 926 CB ARG A 55 -8.386 7.429 0.080 1.00 45.21 C ATOM 927 CG ARG A 55 -9.336 6.938 1.205 1.00 62.53 C ATOM 928 CD ARG A 55 -10.735 6.549 0.699 1.00 73.52 C ATOM 929 NE ARG A 55 -11.479 7.708 0.174 1.00 71.01 N ATOM 930 CZ ARG A 55 -12.537 7.640 -0.647 1.00 3.40 C ATOM 931 NH1 ARG A 55 -12.996 6.471 -1.072 1.00 4.22 N ATOM 932 NH2 ARG A 55 -13.131 8.758 -1.042 1.00 40.31 N ATOM 0 H ARG A 55 -6.548 8.119 -1.481 1.00 35.42 H new ATOM 0 HA ARG A 55 -7.076 8.661 1.263 1.00 65.34 H new ATOM 0 HB2 ARG A 55 -8.842 8.286 -0.416 1.00 45.21 H new ATOM 0 HB3 ARG A 55 -8.291 6.641 -0.668 1.00 45.21 H new ATOM 0 HG2 ARG A 55 -8.885 6.078 1.701 1.00 62.53 H new ATOM 0 HG3 ARG A 55 -9.435 7.723 1.955 1.00 62.53 H new ATOM 0 HD2 ARG A 55 -10.640 5.796 -0.083 1.00 73.52 H new ATOM 0 HD3 ARG A 55 -11.300 6.095 1.513 1.00 73.52 H new ATOM 0 HE ARG A 55 -11.164 8.636 0.458 1.00 71.01 H new ATOM 0 HH11 ARG A 55 -12.543 5.607 -0.775 1.00 4.22 H new ATOM 0 HH12 ARG A 55 -13.802 6.436 -1.696 1.00 4.22 H new ATOM 0 HH21 ARG A 55 -12.783 9.661 -0.721 1.00 40.31 H new ATOM 0 HH22 ARG A 55 -13.936 8.714 -1.666 1.00 40.31 H new ATOM 946 N ILE A 56 -5.600 5.812 0.523 1.00 41.42 N ATOM 947 CA ILE A 56 -4.815 4.684 1.043 1.00 0.10 C ATOM 948 C ILE A 56 -3.524 5.214 1.692 1.00 21.34 C ATOM 949 O ILE A 56 -3.196 4.873 2.835 1.00 42.24 O ATOM 950 CB ILE A 56 -4.440 3.685 -0.111 1.00 61.35 C ATOM 951 CG1 ILE A 56 -5.702 3.335 -0.967 1.00 41.13 C ATOM 952 CG2 ILE A 56 -3.777 2.417 0.472 1.00 41.03 C ATOM 953 CD1 ILE A 56 -5.425 2.669 -2.294 1.00 72.14 C ATOM 0 H ILE A 56 -5.568 5.896 -0.493 1.00 41.42 H new ATOM 0 HA ILE A 56 -5.417 4.156 1.782 1.00 0.10 H new ATOM 0 HB ILE A 56 -3.718 4.164 -0.772 1.00 61.35 H new ATOM 0 HG12 ILE A 56 -6.347 2.681 -0.380 1.00 41.13 H new ATOM 0 HG13 ILE A 56 -6.260 4.253 -1.151 1.00 41.13 H new ATOM 0 HG21 ILE A 56 -3.523 1.734 -0.339 1.00 41.03 H new ATOM 0 HG22 ILE A 56 -2.871 2.695 1.010 1.00 41.03 H new ATOM 0 HG23 ILE A 56 -4.469 1.926 1.156 1.00 41.03 H new ATOM 0 HD11 ILE A 56 -6.367 2.470 -2.805 1.00 72.14 H new ATOM 0 HD12 ILE A 56 -4.810 3.326 -2.909 1.00 72.14 H new ATOM 0 HD13 ILE A 56 -4.898 1.730 -2.127 1.00 72.14 H new ATOM 965 N LEU A 57 -2.828 6.076 0.920 1.00 70.14 N ATOM 966 CA LEU A 57 -1.522 6.643 1.274 1.00 73.54 C ATOM 967 C LEU A 57 -1.554 7.381 2.623 1.00 20.12 C ATOM 968 O LEU A 57 -0.670 7.185 3.469 1.00 74.44 O ATOM 969 CB LEU A 57 -1.047 7.604 0.151 1.00 61.25 C ATOM 970 CG LEU A 57 0.415 8.144 0.280 1.00 54.53 C ATOM 971 CD1 LEU A 57 1.444 6.999 0.213 1.00 55.22 C ATOM 972 CD2 LEU A 57 0.696 9.236 -0.779 1.00 35.01 C ATOM 0 H LEU A 57 -3.171 6.400 0.016 1.00 70.14 H new ATOM 0 HA LEU A 57 -0.819 5.816 1.376 1.00 73.54 H new ATOM 0 HB2 LEU A 57 -1.139 7.087 -0.804 1.00 61.25 H new ATOM 0 HB3 LEU A 57 -1.726 8.456 0.119 1.00 61.25 H new ATOM 0 HG LEU A 57 0.518 8.607 1.261 1.00 54.53 H new ATOM 0 HD11 LEU A 57 2.450 7.408 0.306 1.00 55.22 H new ATOM 0 HD12 LEU A 57 1.261 6.297 1.027 1.00 55.22 H new ATOM 0 HD13 LEU A 57 1.350 6.480 -0.741 1.00 55.22 H new ATOM 0 HD21 LEU A 57 1.719 9.595 -0.668 1.00 35.01 H new ATOM 0 HD22 LEU A 57 0.564 8.818 -1.777 1.00 35.01 H new ATOM 0 HD23 LEU A 57 0.003 10.066 -0.639 1.00 35.01 H new ATOM 984 N GLU A 58 -2.598 8.200 2.827 1.00 71.54 N ATOM 985 CA GLU A 58 -2.746 9.015 4.044 1.00 55.14 C ATOM 986 C GLU A 58 -2.890 8.129 5.295 1.00 52.43 C ATOM 987 O GLU A 58 -2.397 8.487 6.369 1.00 14.42 O ATOM 988 CB GLU A 58 -3.960 9.976 3.919 1.00 55.32 C ATOM 989 CG GLU A 58 -5.341 9.287 3.906 1.00 4.23 C ATOM 990 CD GLU A 58 -6.514 10.261 3.738 1.00 23.02 C ATOM 991 OE1 GLU A 58 -6.875 10.580 2.596 1.00 53.44 O ATOM 992 OE2 GLU A 58 -7.087 10.702 4.755 1.00 13.32 O ATOM 0 H GLU A 58 -3.359 8.316 2.158 1.00 71.54 H new ATOM 0 HA GLU A 58 -1.841 9.612 4.155 1.00 55.14 H new ATOM 0 HB2 GLU A 58 -3.931 10.683 4.749 1.00 55.32 H new ATOM 0 HB3 GLU A 58 -3.852 10.556 3.002 1.00 55.32 H new ATOM 0 HG2 GLU A 58 -5.366 8.558 3.096 1.00 4.23 H new ATOM 0 HG3 GLU A 58 -5.470 8.734 4.836 1.00 4.23 H new ATOM 999 N GLU A 59 -3.530 6.953 5.133 1.00 22.14 N ATOM 1000 CA GLU A 59 -3.860 6.073 6.258 1.00 1.14 C ATOM 1001 C GLU A 59 -2.709 5.103 6.594 1.00 65.54 C ATOM 1002 O GLU A 59 -2.455 4.866 7.771 1.00 42.31 O ATOM 1003 CB GLU A 59 -5.178 5.302 5.995 1.00 61.15 C ATOM 1004 CG GLU A 59 -5.662 4.527 7.238 1.00 41.53 C ATOM 1005 CD GLU A 59 -6.980 3.772 7.063 1.00 71.41 C ATOM 1006 OE1 GLU A 59 -7.033 2.865 6.220 1.00 75.45 O ATOM 1007 OE2 GLU A 59 -7.950 4.051 7.812 1.00 54.12 O ATOM 0 H GLU A 59 -3.828 6.595 4.226 1.00 22.14 H new ATOM 0 HA GLU A 59 -4.006 6.711 7.130 1.00 1.14 H new ATOM 0 HB2 GLU A 59 -5.951 6.005 5.684 1.00 61.15 H new ATOM 0 HB3 GLU A 59 -5.030 4.605 5.170 1.00 61.15 H new ATOM 0 HG2 GLU A 59 -4.889 3.814 7.526 1.00 41.53 H new ATOM 0 HG3 GLU A 59 -5.771 5.229 8.064 1.00 41.53 H new ATOM 1014 N VAL A 60 -2.006 4.553 5.569 1.00 73.20 N ATOM 1015 CA VAL A 60 -0.870 3.609 5.802 1.00 34.34 C ATOM 1016 C VAL A 60 0.255 4.287 6.608 1.00 53.30 C ATOM 1017 O VAL A 60 0.866 3.680 7.486 1.00 73.35 O ATOM 1018 CB VAL A 60 -0.278 2.994 4.468 1.00 74.00 C ATOM 1019 CG1 VAL A 60 0.214 4.073 3.482 1.00 72.44 C ATOM 1020 CG2 VAL A 60 0.853 1.973 4.773 1.00 11.41 C ATOM 0 H VAL A 60 -2.199 4.741 4.585 1.00 73.20 H new ATOM 0 HA VAL A 60 -1.287 2.782 6.377 1.00 34.34 H new ATOM 0 HB VAL A 60 -1.099 2.468 3.981 1.00 74.00 H new ATOM 0 HG11 VAL A 60 0.609 3.594 2.586 1.00 72.44 H new ATOM 0 HG12 VAL A 60 -0.617 4.723 3.209 1.00 72.44 H new ATOM 0 HG13 VAL A 60 0.998 4.666 3.953 1.00 72.44 H new ATOM 0 HG21 VAL A 60 1.239 1.568 3.838 1.00 11.41 H new ATOM 0 HG22 VAL A 60 1.658 2.472 5.312 1.00 11.41 H new ATOM 0 HG23 VAL A 60 0.456 1.162 5.383 1.00 11.41 H new ATOM 1030 N ARG A 61 0.460 5.577 6.324 1.00 64.05 N ATOM 1031 CA ARG A 61 1.472 6.412 6.981 1.00 43.11 C ATOM 1032 C ARG A 61 1.093 6.730 8.451 1.00 42.42 C ATOM 1033 O ARG A 61 1.953 7.134 9.237 1.00 35.22 O ATOM 1034 CB ARG A 61 1.662 7.697 6.130 1.00 40.13 C ATOM 1035 CG ARG A 61 2.342 7.431 4.760 1.00 14.24 C ATOM 1036 CD ARG A 61 2.247 8.611 3.769 1.00 33.03 C ATOM 1037 NE ARG A 61 2.692 9.886 4.355 1.00 52.05 N ATOM 1038 CZ ARG A 61 3.639 10.699 3.855 1.00 2.45 C ATOM 1039 NH1 ARG A 61 4.300 10.400 2.735 1.00 50.40 N ATOM 1040 NH2 ARG A 61 3.906 11.825 4.495 1.00 23.13 N ATOM 0 H ARG A 61 -0.081 6.079 5.620 1.00 64.05 H new ATOM 0 HA ARG A 61 2.417 5.872 7.037 1.00 43.11 H new ATOM 0 HB2 ARG A 61 0.690 8.160 5.961 1.00 40.13 H new ATOM 0 HB3 ARG A 61 2.262 8.412 6.693 1.00 40.13 H new ATOM 0 HG2 ARG A 61 3.393 7.195 4.928 1.00 14.24 H new ATOM 0 HG3 ARG A 61 1.887 6.551 4.305 1.00 14.24 H new ATOM 0 HD2 ARG A 61 2.852 8.390 2.889 1.00 33.03 H new ATOM 0 HD3 ARG A 61 1.216 8.713 3.430 1.00 33.03 H new ATOM 0 HE ARG A 61 2.240 10.180 5.221 1.00 52.05 H new ATOM 0 HH11 ARG A 61 4.092 9.536 2.235 1.00 50.40 H new ATOM 0 HH12 ARG A 61 5.014 11.036 2.379 1.00 50.40 H new ATOM 0 HH21 ARG A 61 3.398 12.060 5.348 1.00 23.13 H new ATOM 0 HH22 ARG A 61 4.620 12.459 4.136 1.00 23.13 H new ATOM 1054 N ARG A 62 -0.197 6.551 8.799 1.00 54.32 N ATOM 1055 CA ARG A 62 -0.722 6.756 10.170 1.00 31.52 C ATOM 1056 C ARG A 62 -0.818 5.432 10.966 1.00 20.34 C ATOM 1057 O ARG A 62 -0.448 5.390 12.149 1.00 4.11 O ATOM 1058 CB ARG A 62 -2.095 7.463 10.090 1.00 44.23 C ATOM 1059 CG ARG A 62 -2.006 8.940 9.639 1.00 13.42 C ATOM 1060 CD ARG A 62 -3.382 9.596 9.477 1.00 41.25 C ATOM 1061 NE ARG A 62 -4.213 9.490 10.693 1.00 13.12 N ATOM 1062 CZ ARG A 62 -5.538 9.243 10.710 1.00 3.43 C ATOM 1063 NH1 ARG A 62 -6.216 9.061 9.579 1.00 64.45 N ATOM 1064 NH2 ARG A 62 -6.177 9.188 11.868 1.00 1.31 N ATOM 0 H ARG A 62 -0.912 6.258 8.133 1.00 54.32 H new ATOM 0 HA ARG A 62 -0.020 7.388 10.715 1.00 31.52 H new ATOM 0 HB2 ARG A 62 -2.735 6.918 9.396 1.00 44.23 H new ATOM 0 HB3 ARG A 62 -2.575 7.419 11.068 1.00 44.23 H new ATOM 0 HG2 ARG A 62 -1.424 9.503 10.368 1.00 13.42 H new ATOM 0 HG3 ARG A 62 -1.469 8.994 8.692 1.00 13.42 H new ATOM 0 HD2 ARG A 62 -3.250 10.648 9.223 1.00 41.25 H new ATOM 0 HD3 ARG A 62 -3.906 9.130 8.643 1.00 41.25 H new ATOM 0 HE ARG A 62 -3.747 9.614 11.592 1.00 13.12 H new ATOM 0 HH11 ARG A 62 -5.733 9.108 8.682 1.00 64.45 H new ATOM 0 HH12 ARG A 62 -7.218 8.875 9.610 1.00 64.45 H new ATOM 0 HH21 ARG A 62 -5.667 9.332 12.739 1.00 1.31 H new ATOM 0 HH22 ARG A 62 -7.180 9.002 11.889 1.00 1.31 H new ATOM 1078 N LYS A 63 -1.302 4.359 10.308 1.00 42.11 N ATOM 1079 CA LYS A 63 -1.508 3.041 10.954 1.00 42.03 C ATOM 1080 C LYS A 63 -0.161 2.355 11.179 1.00 55.11 C ATOM 1081 O LYS A 63 0.091 1.781 12.239 1.00 14.20 O ATOM 1082 CB LYS A 63 -2.400 2.104 10.071 1.00 50.42 C ATOM 1083 CG LYS A 63 -3.824 2.616 9.782 1.00 42.25 C ATOM 1084 CD LYS A 63 -4.691 2.778 11.049 1.00 5.23 C ATOM 1085 CE LYS A 63 -6.090 3.329 10.724 1.00 51.41 C ATOM 1086 NZ LYS A 63 -6.891 3.575 11.948 1.00 53.35 N ATOM 0 H LYS A 63 -1.560 4.378 9.321 1.00 42.11 H new ATOM 0 HA LYS A 63 -2.011 3.217 11.905 1.00 42.03 H new ATOM 0 HB2 LYS A 63 -1.893 1.940 9.120 1.00 50.42 H new ATOM 0 HB3 LYS A 63 -2.475 1.135 10.564 1.00 50.42 H new ATOM 0 HG2 LYS A 63 -3.759 3.577 9.271 1.00 42.25 H new ATOM 0 HG3 LYS A 63 -4.318 1.925 9.100 1.00 42.25 H new ATOM 0 HD2 LYS A 63 -4.788 1.814 11.547 1.00 5.23 H new ATOM 0 HD3 LYS A 63 -4.191 3.449 11.747 1.00 5.23 H new ATOM 0 HE2 LYS A 63 -5.992 4.258 10.163 1.00 51.41 H new ATOM 0 HE3 LYS A 63 -6.617 2.623 10.082 1.00 51.41 H new ATOM 0 HZ1 LYS A 63 -7.826 3.946 11.683 1.00 53.35 H new ATOM 0 HZ2 LYS A 63 -7.008 2.684 12.471 1.00 53.35 H new ATOM 0 HZ3 LYS A 63 -6.402 4.268 12.549 1.00 53.35 H new ATOM 1100 N VAL A 64 0.699 2.446 10.158 1.00 22.04 N ATOM 1101 CA VAL A 64 1.950 1.692 10.073 1.00 2.24 C ATOM 1102 C VAL A 64 3.156 2.663 10.034 1.00 44.10 C ATOM 1103 O VAL A 64 3.461 3.253 8.985 1.00 12.22 O ATOM 1104 CB VAL A 64 1.945 0.761 8.798 1.00 24.25 C ATOM 1105 CG1 VAL A 64 3.271 -0.010 8.653 1.00 54.24 C ATOM 1106 CG2 VAL A 64 0.733 -0.208 8.813 1.00 4.20 C ATOM 0 H VAL A 64 0.541 3.056 9.356 1.00 22.04 H new ATOM 0 HA VAL A 64 2.041 1.061 10.957 1.00 2.24 H new ATOM 0 HB VAL A 64 1.845 1.407 7.926 1.00 24.25 H new ATOM 0 HG11 VAL A 64 3.230 -0.640 7.765 1.00 54.24 H new ATOM 0 HG12 VAL A 64 4.095 0.697 8.559 1.00 54.24 H new ATOM 0 HG13 VAL A 64 3.427 -0.634 9.533 1.00 54.24 H new ATOM 0 HG21 VAL A 64 0.758 -0.836 7.922 1.00 4.20 H new ATOM 0 HG22 VAL A 64 0.781 -0.837 9.702 1.00 4.20 H new ATOM 0 HG23 VAL A 64 -0.193 0.367 8.826 1.00 4.20 H new ATOM 1116 N PRO A 65 3.827 2.888 11.204 1.00 74.11 N ATOM 1117 CA PRO A 65 5.173 3.493 11.248 1.00 51.14 C ATOM 1118 C PRO A 65 6.282 2.420 11.150 1.00 14.10 C ATOM 1119 O PRO A 65 7.471 2.748 11.106 1.00 63.15 O ATOM 1120 CB PRO A 65 5.164 4.186 12.627 1.00 55.43 C ATOM 1121 CG PRO A 65 4.324 3.294 13.500 1.00 71.23 C ATOM 1122 CD PRO A 65 3.313 2.620 12.578 1.00 0.12 C ATOM 0 HA PRO A 65 5.380 4.171 10.420 1.00 51.14 H new ATOM 0 HB2 PRO A 65 6.174 4.290 13.024 1.00 55.43 H new ATOM 0 HB3 PRO A 65 4.741 5.189 12.563 1.00 55.43 H new ATOM 0 HG2 PRO A 65 4.942 2.553 14.007 1.00 71.23 H new ATOM 0 HG3 PRO A 65 3.819 3.872 14.274 1.00 71.23 H new ATOM 0 HD2 PRO A 65 3.247 1.550 12.776 1.00 0.12 H new ATOM 0 HD3 PRO A 65 2.313 3.032 12.716 1.00 0.12 H new ATOM 1130 N ASN A 66 5.864 1.132 11.098 1.00 72.50 N ATOM 1131 CA ASN A 66 6.764 -0.038 11.136 1.00 1.14 C ATOM 1132 C ASN A 66 7.007 -0.578 9.714 1.00 15.42 C ATOM 1133 O ASN A 66 7.224 -1.784 9.525 1.00 44.32 O ATOM 1134 CB ASN A 66 6.139 -1.140 12.044 1.00 73.14 C ATOM 1135 CG ASN A 66 5.789 -0.654 13.454 1.00 41.32 C ATOM 1136 OD1 ASN A 66 6.464 0.214 14.007 1.00 55.14 O ATOM 1137 ND2 ASN A 66 4.723 -1.198 14.032 1.00 14.33 N ATOM 0 H ASN A 66 4.879 0.877 11.028 1.00 72.50 H new ATOM 0 HA ASN A 66 7.727 0.261 11.550 1.00 1.14 H new ATOM 0 HB2 ASN A 66 5.236 -1.522 11.567 1.00 73.14 H new ATOM 0 HB3 ASN A 66 6.837 -1.974 12.120 1.00 73.14 H new ATOM 0 HD21 ASN A 66 4.440 -0.898 14.965 1.00 14.33 H new ATOM 0 HD22 ASN A 66 4.188 -1.915 13.543 1.00 14.33 H new ATOM 1144 N ALA A 67 6.985 0.331 8.718 1.00 11.22 N ATOM 1145 CA ALA A 67 7.288 0.006 7.315 1.00 34.24 C ATOM 1146 C ALA A 67 7.765 1.252 6.558 1.00 13.11 C ATOM 1147 O ALA A 67 7.475 2.388 6.950 1.00 50.44 O ATOM 1148 CB ALA A 67 6.063 -0.605 6.604 1.00 11.31 C ATOM 0 H ALA A 67 6.755 1.313 8.868 1.00 11.22 H new ATOM 0 HA ALA A 67 8.088 -0.734 7.316 1.00 34.24 H new ATOM 0 HB1 ALA A 67 6.319 -0.834 5.570 1.00 11.31 H new ATOM 0 HB2 ALA A 67 5.765 -1.520 7.115 1.00 11.31 H new ATOM 0 HB3 ALA A 67 5.238 0.107 6.624 1.00 11.31 H new ATOM 1154 N ARG A 68 8.513 1.000 5.476 1.00 1.24 N ATOM 1155 CA ARG A 68 8.961 2.012 4.518 1.00 12.25 C ATOM 1156 C ARG A 68 7.845 2.271 3.492 1.00 74.44 C ATOM 1157 O ARG A 68 7.601 1.440 2.621 1.00 55.15 O ATOM 1158 CB ARG A 68 10.256 1.506 3.804 1.00 14.31 C ATOM 1159 CG ARG A 68 10.783 2.366 2.619 1.00 71.00 C ATOM 1160 CD ARG A 68 11.232 3.785 3.020 1.00 3.02 C ATOM 1161 NE ARG A 68 10.106 4.722 3.204 1.00 3.15 N ATOM 1162 CZ ARG A 68 10.001 5.630 4.190 1.00 32.43 C ATOM 1163 NH1 ARG A 68 10.954 5.749 5.116 1.00 34.44 N ATOM 1164 NH2 ARG A 68 8.955 6.440 4.216 1.00 12.30 N ATOM 0 H ARG A 68 8.830 0.060 5.239 1.00 1.24 H new ATOM 0 HA ARG A 68 9.185 2.945 5.035 1.00 12.25 H new ATOM 0 HB2 ARG A 68 11.048 1.432 4.549 1.00 14.31 H new ATOM 0 HB3 ARG A 68 10.069 0.497 3.436 1.00 14.31 H new ATOM 0 HG2 ARG A 68 11.623 1.849 2.154 1.00 71.00 H new ATOM 0 HG3 ARG A 68 10.000 2.444 1.865 1.00 71.00 H new ATOM 0 HD2 ARG A 68 11.805 3.730 3.946 1.00 3.02 H new ATOM 0 HD3 ARG A 68 11.901 4.177 2.254 1.00 3.02 H new ATOM 0 HE ARG A 68 9.345 4.677 2.527 1.00 3.15 H new ATOM 0 HH11 ARG A 68 11.776 5.146 5.082 1.00 34.44 H new ATOM 0 HH12 ARG A 68 10.860 6.443 5.858 1.00 34.44 H new ATOM 0 HH21 ARG A 68 8.239 6.372 3.493 1.00 12.30 H new ATOM 0 HH22 ARG A 68 8.865 7.133 4.959 1.00 12.30 H new ATOM 1178 N VAL A 69 7.165 3.417 3.608 1.00 35.45 N ATOM 1179 CA VAL A 69 6.146 3.835 2.633 1.00 4.35 C ATOM 1180 C VAL A 69 6.843 4.687 1.559 1.00 51.21 C ATOM 1181 O VAL A 69 7.349 5.772 1.848 1.00 40.10 O ATOM 1182 CB VAL A 69 4.977 4.643 3.314 1.00 73.02 C ATOM 1183 CG1 VAL A 69 3.894 5.029 2.278 1.00 50.40 C ATOM 1184 CG2 VAL A 69 4.366 3.842 4.494 1.00 10.52 C ATOM 0 H VAL A 69 7.302 4.078 4.373 1.00 35.45 H new ATOM 0 HA VAL A 69 5.690 2.952 2.185 1.00 4.35 H new ATOM 0 HB VAL A 69 5.393 5.566 3.718 1.00 73.02 H new ATOM 0 HG11 VAL A 69 3.099 5.586 2.773 1.00 50.40 H new ATOM 0 HG12 VAL A 69 4.340 5.648 1.499 1.00 50.40 H new ATOM 0 HG13 VAL A 69 3.480 4.125 1.831 1.00 50.40 H new ATOM 0 HG21 VAL A 69 3.561 4.420 4.948 1.00 10.52 H new ATOM 0 HG22 VAL A 69 3.970 2.896 4.125 1.00 10.52 H new ATOM 0 HG23 VAL A 69 5.137 3.646 5.239 1.00 10.52 H new ATOM 1194 N ARG A 70 6.923 4.149 0.334 1.00 61.21 N ATOM 1195 CA ARG A 70 7.616 4.783 -0.796 1.00 51.42 C ATOM 1196 C ARG A 70 6.599 5.125 -1.898 1.00 13.43 C ATOM 1197 O ARG A 70 6.000 4.233 -2.497 1.00 3.22 O ATOM 1198 CB ARG A 70 8.727 3.838 -1.346 1.00 21.31 C ATOM 1199 CG ARG A 70 9.405 4.322 -2.656 1.00 43.20 C ATOM 1200 CD ARG A 70 10.123 5.683 -2.514 1.00 12.42 C ATOM 1201 NE ARG A 70 10.533 6.252 -3.815 1.00 11.22 N ATOM 1202 CZ ARG A 70 11.623 5.901 -4.526 1.00 4.21 C ATOM 1203 NH1 ARG A 70 12.461 4.967 -4.095 1.00 31.43 N ATOM 1204 NH2 ARG A 70 11.873 6.514 -5.672 1.00 62.24 N ATOM 0 H ARG A 70 6.503 3.250 0.097 1.00 61.21 H new ATOM 0 HA ARG A 70 8.090 5.704 -0.457 1.00 51.42 H new ATOM 0 HB2 ARG A 70 9.493 3.717 -0.580 1.00 21.31 H new ATOM 0 HB3 ARG A 70 8.293 2.853 -1.521 1.00 21.31 H new ATOM 0 HG2 ARG A 70 10.126 3.572 -2.981 1.00 43.20 H new ATOM 0 HG3 ARG A 70 8.651 4.398 -3.439 1.00 43.20 H new ATOM 0 HD2 ARG A 70 9.462 6.386 -2.007 1.00 12.42 H new ATOM 0 HD3 ARG A 70 11.003 5.560 -1.883 1.00 12.42 H new ATOM 0 HE ARG A 70 9.936 6.978 -4.212 1.00 11.22 H new ATOM 0 HH11 ARG A 70 12.287 4.497 -3.207 1.00 31.43 H new ATOM 0 HH12 ARG A 70 13.279 4.719 -4.652 1.00 31.43 H new ATOM 0 HH21 ARG A 70 11.244 7.243 -6.008 1.00 62.24 H new ATOM 0 HH22 ARG A 70 12.695 6.257 -6.219 1.00 62.24 H new ATOM 1218 N GLU A 71 6.429 6.424 -2.150 1.00 1.20 N ATOM 1219 CA GLU A 71 5.578 6.930 -3.235 1.00 50.42 C ATOM 1220 C GLU A 71 6.411 6.933 -4.531 1.00 10.53 C ATOM 1221 O GLU A 71 7.533 7.448 -4.533 1.00 74.55 O ATOM 1222 CB GLU A 71 5.074 8.371 -2.923 1.00 11.01 C ATOM 1223 CG GLU A 71 4.355 8.558 -1.556 1.00 22.05 C ATOM 1224 CD GLU A 71 5.267 8.523 -0.303 1.00 31.21 C ATOM 1225 OE1 GLU A 71 6.468 8.885 -0.403 1.00 13.00 O ATOM 1226 OE2 GLU A 71 4.779 8.154 0.789 1.00 43.03 O ATOM 0 H GLU A 71 6.879 7.160 -1.606 1.00 1.20 H new ATOM 0 HA GLU A 71 4.702 6.290 -3.342 1.00 50.42 H new ATOM 0 HB2 GLU A 71 5.927 9.049 -2.959 1.00 11.01 H new ATOM 0 HB3 GLU A 71 4.391 8.676 -3.716 1.00 11.01 H new ATOM 0 HG2 GLU A 71 3.828 9.512 -1.572 1.00 22.05 H new ATOM 0 HG3 GLU A 71 3.600 7.778 -1.454 1.00 22.05 H new ATOM 1233 N THR A 72 5.885 6.335 -5.606 1.00 22.22 N ATOM 1234 CA THR A 72 6.538 6.331 -6.932 1.00 72.35 C ATOM 1235 C THR A 72 5.485 6.652 -8.008 1.00 53.45 C ATOM 1236 O THR A 72 4.538 5.881 -8.197 1.00 50.20 O ATOM 1237 CB THR A 72 7.239 4.947 -7.248 1.00 33.33 C ATOM 1238 OG1 THR A 72 6.324 3.859 -7.033 1.00 62.11 O ATOM 1239 CG2 THR A 72 8.504 4.715 -6.399 1.00 14.15 C ATOM 0 H THR A 72 4.994 5.838 -5.587 1.00 22.22 H new ATOM 0 HA THR A 72 7.320 7.090 -6.930 1.00 72.35 H new ATOM 0 HB THR A 72 7.539 4.986 -8.295 1.00 33.33 H new ATOM 0 HG1 THR A 72 5.503 4.199 -6.620 1.00 62.11 H new ATOM 0 HG21 THR A 72 8.944 3.752 -6.657 1.00 14.15 H new ATOM 0 HG22 THR A 72 9.225 5.508 -6.597 1.00 14.15 H new ATOM 0 HG23 THR A 72 8.239 4.721 -5.342 1.00 14.15 H new ATOM 1247 N GLU A 73 5.631 7.813 -8.667 1.00 25.32 N ATOM 1248 CA GLU A 73 4.811 8.187 -9.829 1.00 22.30 C ATOM 1249 C GLU A 73 5.496 7.664 -11.095 1.00 42.52 C ATOM 1250 O GLU A 73 6.728 7.703 -11.203 1.00 43.32 O ATOM 1251 CB GLU A 73 4.597 9.729 -9.924 1.00 22.32 C ATOM 1252 CG GLU A 73 3.908 10.379 -8.692 1.00 25.11 C ATOM 1253 CD GLU A 73 4.873 10.701 -7.535 1.00 65.52 C ATOM 1254 OE1 GLU A 73 5.518 11.772 -7.583 1.00 22.30 O ATOM 1255 OE2 GLU A 73 5.007 9.888 -6.588 1.00 72.11 O ATOM 0 H GLU A 73 6.321 8.518 -8.409 1.00 25.32 H new ATOM 0 HA GLU A 73 3.823 7.740 -9.718 1.00 22.30 H new ATOM 0 HB2 GLU A 73 5.566 10.206 -10.072 1.00 22.32 H new ATOM 0 HB3 GLU A 73 3.998 9.943 -10.810 1.00 22.32 H new ATOM 0 HG2 GLU A 73 3.414 11.298 -9.007 1.00 25.11 H new ATOM 0 HG3 GLU A 73 3.130 9.708 -8.327 1.00 25.11 H new ATOM 1262 N THR A 74 4.690 7.163 -12.033 1.00 64.24 N ATOM 1263 CA THR A 74 5.167 6.578 -13.291 1.00 10.11 C ATOM 1264 C THR A 74 4.584 7.402 -14.453 1.00 61.41 C ATOM 1265 O THR A 74 3.376 7.642 -14.482 1.00 61.13 O ATOM 1266 CB THR A 74 4.716 5.082 -13.420 1.00 40.12 C ATOM 1267 OG1 THR A 74 4.823 4.413 -12.145 1.00 51.12 O ATOM 1268 CG2 THR A 74 5.542 4.306 -14.469 1.00 61.04 C ATOM 0 H THR A 74 3.674 7.151 -11.941 1.00 64.24 H new ATOM 0 HA THR A 74 6.257 6.600 -13.313 1.00 10.11 H new ATOM 0 HB THR A 74 3.678 5.095 -13.751 1.00 40.12 H new ATOM 0 HG1 THR A 74 5.167 3.505 -12.280 1.00 51.12 H new ATOM 0 HG21 THR A 74 5.190 3.276 -14.520 1.00 61.04 H new ATOM 0 HG22 THR A 74 5.426 4.777 -15.445 1.00 61.04 H new ATOM 0 HG23 THR A 74 6.594 4.316 -14.184 1.00 61.04 H new ATOM 1276 N GLY A 75 5.441 7.821 -15.385 1.00 44.24 N ATOM 1277 CA GLY A 75 5.040 8.703 -16.487 1.00 2.43 C ATOM 1278 C GLY A 75 6.206 9.548 -16.953 1.00 5.21 C ATOM 1279 O GLY A 75 6.174 10.782 -16.855 1.00 63.03 O ATOM 0 H GLY A 75 6.427 7.562 -15.400 1.00 44.24 H new ATOM 0 HA2 GLY A 75 4.663 8.106 -17.318 1.00 2.43 H new ATOM 0 HA3 GLY A 75 4.224 9.349 -16.163 1.00 2.43 H new ATOM 1283 N SER A 76 7.256 8.867 -17.434 1.00 41.24 N ATOM 1284 CA SER A 76 8.480 9.508 -17.929 1.00 4.50 C ATOM 1285 C SER A 76 8.202 10.194 -19.291 1.00 42.40 C ATOM 1286 O SER A 76 8.339 9.581 -20.357 1.00 45.21 O ATOM 1287 CB SER A 76 9.605 8.444 -18.021 1.00 2.35 C ATOM 1288 OG SER A 76 9.190 7.311 -18.781 1.00 11.24 O ATOM 0 H SER A 76 7.279 7.849 -17.490 1.00 41.24 H new ATOM 0 HA SER A 76 8.810 10.287 -17.241 1.00 4.50 H new ATOM 0 HB2 SER A 76 10.490 8.887 -18.479 1.00 2.35 H new ATOM 0 HB3 SER A 76 9.890 8.126 -17.018 1.00 2.35 H new ATOM 0 HG SER A 76 8.730 7.612 -19.592 1.00 11.24 H new ATOM 1294 N LEU A 77 7.737 11.458 -19.228 1.00 53.31 N ATOM 1295 CA LEU A 77 7.310 12.225 -20.412 1.00 13.53 C ATOM 1296 C LEU A 77 8.354 13.285 -20.775 1.00 21.14 C ATOM 1297 O LEU A 77 8.634 14.184 -19.972 1.00 40.44 O ATOM 1298 CB LEU A 77 5.930 12.891 -20.142 1.00 33.44 C ATOM 1299 CG LEU A 77 4.769 11.925 -19.735 1.00 12.45 C ATOM 1300 CD1 LEU A 77 3.457 12.695 -19.487 1.00 52.05 C ATOM 1301 CD2 LEU A 77 4.573 10.794 -20.774 1.00 61.12 C ATOM 0 H LEU A 77 7.648 11.975 -18.353 1.00 53.31 H new ATOM 0 HA LEU A 77 7.214 11.541 -21.255 1.00 13.53 H new ATOM 0 HB2 LEU A 77 6.055 13.630 -19.351 1.00 33.44 H new ATOM 0 HB3 LEU A 77 5.628 13.432 -21.039 1.00 33.44 H new ATOM 0 HG LEU A 77 5.056 11.453 -18.795 1.00 12.45 H new ATOM 0 HD11 LEU A 77 2.671 11.994 -19.206 1.00 52.05 H new ATOM 0 HD12 LEU A 77 3.605 13.416 -18.683 1.00 52.05 H new ATOM 0 HD13 LEU A 77 3.166 13.221 -20.396 1.00 52.05 H new ATOM 0 HD21 LEU A 77 3.758 10.144 -20.455 1.00 61.12 H new ATOM 0 HD22 LEU A 77 4.332 11.229 -21.744 1.00 61.12 H new ATOM 0 HD23 LEU A 77 5.491 10.211 -20.855 1.00 61.12 H new ATOM 1313 N GLU A 78 8.940 13.147 -21.971 1.00 4.30 N ATOM 1314 CA GLU A 78 9.831 14.153 -22.575 1.00 63.45 C ATOM 1315 C GLU A 78 9.633 14.168 -24.104 1.00 73.15 C ATOM 1316 O GLU A 78 8.728 13.507 -24.636 1.00 32.32 O ATOM 1317 CB GLU A 78 11.320 13.881 -22.215 1.00 43.44 C ATOM 1318 CG GLU A 78 11.869 12.534 -22.731 1.00 41.42 C ATOM 1319 CD GLU A 78 13.369 12.360 -22.462 1.00 45.41 C ATOM 1320 OE1 GLU A 78 14.188 12.823 -23.285 1.00 2.44 O ATOM 1321 OE2 GLU A 78 13.743 11.774 -21.423 1.00 73.02 O ATOM 0 H GLU A 78 8.808 12.322 -22.557 1.00 4.30 H new ATOM 0 HA GLU A 78 9.573 15.132 -22.171 1.00 63.45 H new ATOM 0 HB2 GLU A 78 11.931 14.687 -22.621 1.00 43.44 H new ATOM 0 HB3 GLU A 78 11.430 13.912 -21.131 1.00 43.44 H new ATOM 0 HG2 GLU A 78 11.323 11.719 -22.257 1.00 41.42 H new ATOM 0 HG3 GLU A 78 11.686 12.459 -23.803 1.00 41.42 H new ATOM 1328 N HIS A 79 10.486 14.929 -24.798 1.00 74.24 N ATOM 1329 CA HIS A 79 10.450 15.076 -26.261 1.00 1.21 C ATOM 1330 C HIS A 79 11.875 15.303 -26.791 1.00 73.33 C ATOM 1331 O HIS A 79 12.816 15.515 -26.006 1.00 13.02 O ATOM 1332 CB HIS A 79 9.504 16.244 -26.661 1.00 22.54 C ATOM 1333 CG HIS A 79 9.782 17.542 -25.946 1.00 63.12 C ATOM 1334 ND1 HIS A 79 8.859 18.160 -25.131 1.00 42.13 N ATOM 1335 CD2 HIS A 79 10.875 18.348 -25.932 1.00 2.21 C ATOM 1336 CE1 HIS A 79 9.374 19.272 -24.656 1.00 72.21 C ATOM 1337 NE2 HIS A 79 10.588 19.405 -25.124 1.00 73.34 N ATOM 0 H HIS A 79 11.231 15.468 -24.356 1.00 74.24 H new ATOM 0 HA HIS A 79 10.058 14.163 -26.710 1.00 1.21 H new ATOM 0 HB2 HIS A 79 9.585 16.410 -27.735 1.00 22.54 H new ATOM 0 HB3 HIS A 79 8.475 15.946 -26.462 1.00 22.54 H new ATOM 0 HD2 HIS A 79 11.800 18.181 -26.463 1.00 2.21 H new ATOM 0 HE1 HIS A 79 8.877 19.962 -23.990 1.00 72.21 H new ATOM 0 HE2 HIS A 79 11.220 20.178 -24.916 1.00 73.34 H new ATOM 1346 N HIS A 80 12.019 15.275 -28.119 1.00 75.53 N ATOM 1347 CA HIS A 80 13.301 15.533 -28.788 1.00 40.34 C ATOM 1348 C HIS A 80 13.512 17.050 -28.952 1.00 21.22 C ATOM 1349 O HIS A 80 12.685 17.730 -29.569 1.00 64.12 O ATOM 1350 CB HIS A 80 13.338 14.826 -30.164 1.00 71.54 C ATOM 1351 CG HIS A 80 14.610 15.074 -30.938 1.00 33.32 C ATOM 1352 ND1 HIS A 80 14.644 15.769 -32.133 1.00 63.22 N ATOM 1353 CD2 HIS A 80 15.897 14.732 -30.675 1.00 33.33 C ATOM 1354 CE1 HIS A 80 15.885 15.839 -32.565 1.00 22.32 C ATOM 1355 NE2 HIS A 80 16.659 15.222 -31.701 1.00 60.52 N ATOM 0 H HIS A 80 11.253 15.073 -28.761 1.00 75.53 H new ATOM 0 HA HIS A 80 14.109 15.133 -28.175 1.00 40.34 H new ATOM 0 HB2 HIS A 80 13.217 13.753 -30.015 1.00 71.54 H new ATOM 0 HB3 HIS A 80 12.489 15.163 -30.759 1.00 71.54 H new ATOM 0 HD2 HIS A 80 16.252 14.178 -29.819 1.00 33.33 H new ATOM 0 HE1 HIS A 80 16.212 16.321 -33.474 1.00 22.32 H new ATOM 0 HE2 HIS A 80 17.671 15.123 -31.782 1.00 60.52 H new ATOM 1364 N HIS A 81 14.625 17.556 -28.387 1.00 62.43 N ATOM 1365 CA HIS A 81 15.036 18.972 -28.497 1.00 12.04 C ATOM 1366 C HIS A 81 15.404 19.323 -29.951 1.00 33.15 C ATOM 1367 O HIS A 81 16.079 18.538 -30.638 1.00 72.34 O ATOM 1368 CB HIS A 81 16.231 19.277 -27.550 1.00 24.42 C ATOM 1369 CG HIS A 81 15.883 19.300 -26.083 1.00 60.22 C ATOM 1370 ND1 HIS A 81 16.184 20.361 -25.255 1.00 24.10 N ATOM 1371 CD2 HIS A 81 15.280 18.380 -25.296 1.00 15.40 C ATOM 1372 CE1 HIS A 81 15.785 20.088 -24.031 1.00 21.14 C ATOM 1373 NE2 HIS A 81 15.234 18.891 -24.027 1.00 20.12 N ATOM 0 H HIS A 81 15.271 16.990 -27.836 1.00 62.43 H new ATOM 0 HA HIS A 81 14.191 19.590 -28.195 1.00 12.04 H new ATOM 0 HB2 HIS A 81 17.007 18.529 -27.714 1.00 24.42 H new ATOM 0 HB3 HIS A 81 16.656 20.242 -27.824 1.00 24.42 H new ATOM 0 HD2 HIS A 81 14.904 17.418 -25.611 1.00 15.40 H new ATOM 0 HE1 HIS A 81 15.891 20.736 -23.174 1.00 21.14 H new ATOM 0 HE2 HIS A 81 14.838 18.422 -23.212 1.00 20.12 H new ATOM 1382 N HIS A 82 14.963 20.510 -30.397 1.00 13.12 N ATOM 1383 CA HIS A 82 15.078 20.954 -31.792 1.00 25.11 C ATOM 1384 C HIS A 82 15.717 22.358 -31.855 1.00 71.43 C ATOM 1385 O HIS A 82 15.041 23.362 -31.627 1.00 74.22 O ATOM 1386 CB HIS A 82 13.677 20.942 -32.452 1.00 41.01 C ATOM 1387 CG HIS A 82 13.698 21.180 -33.933 1.00 63.12 C ATOM 1388 ND1 HIS A 82 13.286 22.355 -34.521 1.00 63.52 N ATOM 1389 CD2 HIS A 82 14.086 20.374 -34.949 1.00 72.42 C ATOM 1390 CE1 HIS A 82 13.416 22.254 -35.826 1.00 65.01 C ATOM 1391 NE2 HIS A 82 13.900 21.067 -36.112 1.00 11.33 N ATOM 0 H HIS A 82 14.512 21.195 -29.791 1.00 13.12 H new ATOM 0 HA HIS A 82 15.726 20.272 -32.342 1.00 25.11 H new ATOM 0 HB2 HIS A 82 13.202 19.981 -32.256 1.00 41.01 H new ATOM 0 HB3 HIS A 82 13.058 21.705 -31.980 1.00 41.01 H new ATOM 0 HD2 HIS A 82 14.471 19.369 -34.857 1.00 72.42 H new ATOM 0 HE1 HIS A 82 13.166 23.021 -36.544 1.00 65.01 H new ATOM 0 HE2 HIS A 82 14.104 20.719 -37.049 1.00 11.33 H new ATOM 1400 N HIS A 83 17.035 22.409 -32.144 1.00 23.32 N ATOM 1401 CA HIS A 83 17.819 23.671 -32.183 1.00 42.32 C ATOM 1402 C HIS A 83 17.936 24.228 -33.623 1.00 53.31 C ATOM 1403 O HIS A 83 19.019 24.613 -34.071 1.00 61.20 O ATOM 1404 CB HIS A 83 19.216 23.464 -31.511 1.00 53.34 C ATOM 1405 CG HIS A 83 20.047 22.311 -32.036 1.00 44.41 C ATOM 1406 ND1 HIS A 83 20.115 21.086 -31.403 1.00 53.42 N ATOM 1407 CD2 HIS A 83 20.877 22.214 -33.105 1.00 42.12 C ATOM 1408 CE1 HIS A 83 20.944 20.298 -32.054 1.00 23.54 C ATOM 1409 NE2 HIS A 83 21.417 20.953 -33.088 1.00 4.03 N ATOM 0 H HIS A 83 17.589 21.579 -32.357 1.00 23.32 H new ATOM 0 HA HIS A 83 17.283 24.426 -31.607 1.00 42.32 H new ATOM 0 HB2 HIS A 83 19.792 24.382 -31.628 1.00 53.34 H new ATOM 0 HB3 HIS A 83 19.063 23.317 -30.442 1.00 53.34 H new ATOM 0 HD2 HIS A 83 21.076 22.986 -33.834 1.00 42.12 H new ATOM 0 HE1 HIS A 83 21.193 19.283 -31.783 1.00 23.54 H new ATOM 0 HE2 HIS A 83 22.080 20.584 -33.770 1.00 4.03 H new ATOM 1418 N HIS A 84 16.794 24.308 -34.333 1.00 3.41 N ATOM 1419 CA HIS A 84 16.731 24.871 -35.706 1.00 2.05 C ATOM 1420 C HIS A 84 15.394 25.626 -35.908 1.00 31.41 C ATOM 1421 O HIS A 84 14.482 25.110 -36.591 1.00 42.03 O ATOM 1422 CB HIS A 84 16.960 23.755 -36.783 1.00 43.14 C ATOM 1423 CG HIS A 84 18.403 23.439 -37.049 1.00 21.22 C ATOM 1424 ND1 HIS A 84 18.936 22.174 -36.971 1.00 33.42 N ATOM 1425 CD2 HIS A 84 19.421 24.245 -37.417 1.00 54.32 C ATOM 1426 CE1 HIS A 84 20.214 22.223 -37.278 1.00 71.53 C ATOM 1427 NE2 HIS A 84 20.530 23.464 -37.553 1.00 5.41 N ATOM 1428 OXT HIS A 84 15.246 26.723 -35.332 1.00 38.61 O ATOM 0 H HIS A 84 15.893 23.988 -33.979 1.00 3.41 H new ATOM 0 HA HIS A 84 17.538 25.593 -35.834 1.00 2.05 H new ATOM 0 HB2 HIS A 84 16.455 22.845 -36.459 1.00 43.14 H new ATOM 0 HB3 HIS A 84 16.490 24.065 -37.716 1.00 43.14 H new ATOM 0 HD2 HIS A 84 19.367 25.312 -37.575 1.00 54.32 H new ATOM 0 HE1 HIS A 84 20.890 21.381 -37.300 1.00 71.53 H new ATOM 0 HE2 HIS A 84 21.456 23.793 -37.825 1.00 5.41 H new TER 1437 HIS A 84