USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 638 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 12 ASN : amide:sc= -1.8! C(o=-3.5!,f=-4.1!) USER MOD Set 1.2: A 33 ASN : amide:sc= -1.74! K(o=-3.5!,f=-0.3) USER MOD Set 2.1: A 29 SER OG : rot 41:sc= 0.424 USER MOD Set 2.2: A 39 HIS : no HE2:sc= 0.717 K(o=1.1,f=-3.8!) USER MOD Set 3.1: A 22 LYS NZ :NH3+ -165:sc= 0.369 (180deg=0.186) USER MOD Set 3.2: A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0982 (180deg=-0.437) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0.525 K(o=0.53,f=-5.4!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= 1.2 (180deg=1.11) USER MOD Single : A 13 TYR OH : rot 82:sc= 0.412 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 134:sc= 0.814 USER MOD Single : A 28 LYS NZ :NH3+ 168:sc= -0.0477 (180deg=-0.295) USER MOD Single : A 30 THR OG1 : rot -34:sc= 0.744 USER MOD Single : A 38 CYS SG : rot 137:sc= 0.033 USER MOD Single : A 40 THR OG1 : rot 73:sc= 0.707 USER MOD Single : A 41 GLN : amide:sc= -0.17 K(o=-0.17,f=-0.81) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 170:sc= -0.127 (180deg=-0.238) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0756 K(o=-0.076,f=-0.63) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0.25 K(o=0.25,f=-1.5!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.0245 X(o=-0.024,f=-0.021) USER MOD Single : A 71 HIS : no HD1:sc= -0.0615 X(o=-0.061,f=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 74 HIS : no HD1:sc= -0.0459 X(o=-0.046,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.884 -4.433 -15.914 1.00 62.12 N ATOM 2 CA MET A 1 -11.509 -3.858 -14.603 1.00 43.52 C ATOM 3 C MET A 1 -12.441 -2.711 -14.238 1.00 41.51 C ATOM 4 O MET A 1 -12.606 -1.756 -14.999 1.00 51.14 O ATOM 5 CB MET A 1 -10.056 -3.369 -14.630 1.00 30.24 C ATOM 6 CG MET A 1 -9.601 -2.725 -13.327 1.00 63.50 C ATOM 7 SD MET A 1 -9.708 -3.838 -11.909 1.00 74.45 S ATOM 8 CE MET A 1 -8.557 -5.126 -12.389 1.00 64.42 C ATOM 0 H1 MET A 1 -11.238 -5.214 -16.148 1.00 62.12 H new ATOM 0 H2 MET A 1 -12.859 -4.791 -15.870 1.00 62.12 H new ATOM 0 H3 MET A 1 -11.818 -3.698 -16.647 1.00 62.12 H new ATOM 0 HA MET A 1 -11.602 -4.637 -13.847 1.00 43.52 H new ATOM 0 HB2 MET A 1 -9.403 -4.212 -14.856 1.00 30.24 H new ATOM 0 HB3 MET A 1 -9.939 -2.649 -15.440 1.00 30.24 H new ATOM 0 HG2 MET A 1 -8.571 -2.385 -13.437 1.00 63.50 H new ATOM 0 HG3 MET A 1 -10.209 -1.841 -13.134 1.00 63.50 H new ATOM 0 HE1 MET A 1 -8.298 -5.726 -11.517 1.00 64.42 H new ATOM 0 HE2 MET A 1 -9.018 -5.763 -13.144 1.00 64.42 H new ATOM 0 HE3 MET A 1 -7.654 -4.673 -12.798 1.00 64.42 H new ATOM 20 N ASN A 2 -13.051 -2.811 -13.070 1.00 0.01 N ATOM 21 CA ASN A 2 -13.996 -1.807 -12.608 1.00 43.12 C ATOM 22 C ASN A 2 -13.296 -0.765 -11.746 1.00 42.54 C ATOM 23 O ASN A 2 -12.152 -0.952 -11.328 1.00 42.23 O ATOM 24 CB ASN A 2 -15.139 -2.461 -11.818 1.00 53.33 C ATOM 25 CG ASN A 2 -14.661 -3.278 -10.623 1.00 65.32 C ATOM 26 OD1 ASN A 2 -13.577 -3.867 -10.641 1.00 20.13 O ATOM 27 ND2 ASN A 2 -15.473 -3.330 -9.579 1.00 50.20 N ATOM 0 H ASN A 2 -12.908 -3.583 -12.419 1.00 0.01 H new ATOM 0 HA ASN A 2 -14.415 -1.311 -13.483 1.00 43.12 H new ATOM 0 HB2 ASN A 2 -15.820 -1.685 -11.469 1.00 53.33 H new ATOM 0 HB3 ASN A 2 -15.709 -3.107 -12.486 1.00 53.33 H new ATOM 0 HD21 ASN A 2 -15.210 -3.870 -8.755 1.00 50.20 H new ATOM 0 HD22 ASN A 2 -16.362 -2.830 -9.599 1.00 50.20 H new ATOM 34 N GLN A 3 -13.985 0.339 -11.498 1.00 2.34 N ATOM 35 CA GLN A 3 -13.460 1.398 -10.655 1.00 65.14 C ATOM 36 C GLN A 3 -14.587 2.030 -9.850 1.00 4.01 C ATOM 37 O GLN A 3 -15.766 1.838 -10.161 1.00 15.44 O ATOM 38 CB GLN A 3 -12.738 2.458 -11.495 1.00 12.20 C ATOM 39 CG GLN A 3 -13.585 3.062 -12.606 1.00 42.25 C ATOM 40 CD GLN A 3 -12.817 4.078 -13.425 1.00 3.43 C ATOM 41 OE1 GLN A 3 -12.166 3.732 -14.412 1.00 74.32 O ATOM 42 NE2 GLN A 3 -12.892 5.338 -13.027 1.00 54.33 N ATOM 0 H GLN A 3 -14.916 0.523 -11.873 1.00 2.34 H new ATOM 0 HA GLN A 3 -12.735 0.965 -9.966 1.00 65.14 H new ATOM 0 HB2 GLN A 3 -12.400 3.258 -10.836 1.00 12.20 H new ATOM 0 HB3 GLN A 3 -11.847 2.010 -11.936 1.00 12.20 H new ATOM 0 HG2 GLN A 3 -13.943 2.267 -13.260 1.00 42.25 H new ATOM 0 HG3 GLN A 3 -14.464 3.538 -12.172 1.00 42.25 H new ATOM 0 HE21 GLN A 3 -13.443 5.581 -12.204 1.00 54.33 H new ATOM 0 HE22 GLN A 3 -12.399 6.066 -13.544 1.00 54.33 H new ATOM 51 N ASN A 4 -14.224 2.769 -8.815 1.00 63.12 N ATOM 52 CA ASN A 4 -15.203 3.393 -7.942 1.00 51.33 C ATOM 53 C ASN A 4 -14.959 4.887 -7.861 1.00 12.12 C ATOM 54 O ASN A 4 -13.919 5.379 -8.298 1.00 64.20 O ATOM 55 CB ASN A 4 -15.138 2.787 -6.535 1.00 0.03 C ATOM 56 CG ASN A 4 -15.519 1.321 -6.501 1.00 72.41 C ATOM 57 OD1 ASN A 4 -14.671 0.440 -6.638 1.00 13.50 O ATOM 58 ND2 ASN A 4 -16.800 1.048 -6.314 1.00 24.15 N ATOM 0 H ASN A 4 -13.254 2.952 -8.558 1.00 63.12 H new ATOM 0 HA ASN A 4 -16.193 3.212 -8.360 1.00 51.33 H new ATOM 0 HB2 ASN A 4 -14.128 2.903 -6.142 1.00 0.03 H new ATOM 0 HB3 ASN A 4 -15.803 3.344 -5.875 1.00 0.03 H new ATOM 0 HD21 ASN A 4 -17.115 0.078 -6.279 1.00 24.15 H new ATOM 0 HD22 ASN A 4 -17.473 1.807 -6.205 1.00 24.15 H new ATOM 65 N LEU A 5 -15.925 5.608 -7.317 1.00 3.13 N ATOM 66 CA LEU A 5 -15.763 7.031 -7.071 1.00 60.31 C ATOM 67 C LEU A 5 -14.761 7.222 -5.941 1.00 64.40 C ATOM 68 O LEU A 5 -13.844 8.040 -6.025 1.00 30.43 O ATOM 69 CB LEU A 5 -17.104 7.665 -6.690 1.00 33.41 C ATOM 70 CG LEU A 5 -18.248 7.413 -7.674 1.00 21.32 C ATOM 71 CD1 LEU A 5 -19.531 8.051 -7.172 1.00 21.14 C ATOM 72 CD2 LEU A 5 -17.894 7.939 -9.057 1.00 14.15 C ATOM 0 H LEU A 5 -16.830 5.231 -7.037 1.00 3.13 H new ATOM 0 HA LEU A 5 -15.400 7.516 -7.977 1.00 60.31 H new ATOM 0 HB2 LEU A 5 -17.400 7.289 -5.710 1.00 33.41 H new ATOM 0 HB3 LEU A 5 -16.963 8.741 -6.590 1.00 33.41 H new ATOM 0 HG LEU A 5 -18.405 6.337 -7.749 1.00 21.32 H new ATOM 0 HD11 LEU A 5 -20.334 7.862 -7.884 1.00 21.14 H new ATOM 0 HD12 LEU A 5 -19.796 7.624 -6.205 1.00 21.14 H new ATOM 0 HD13 LEU A 5 -19.386 9.126 -7.066 1.00 21.14 H new ATOM 0 HD21 LEU A 5 -18.721 7.749 -9.741 1.00 14.15 H new ATOM 0 HD22 LEU A 5 -17.707 9.011 -9.002 1.00 14.15 H new ATOM 0 HD23 LEU A 5 -16.999 7.433 -9.421 1.00 14.15 H new ATOM 84 N GLN A 6 -14.956 6.430 -4.897 1.00 21.25 N ATOM 85 CA GLN A 6 -14.079 6.402 -3.740 1.00 60.53 C ATOM 86 C GLN A 6 -14.419 5.178 -2.902 1.00 13.30 C ATOM 87 O GLN A 6 -15.520 4.632 -3.014 1.00 52.21 O ATOM 88 CB GLN A 6 -14.233 7.673 -2.901 1.00 15.42 C ATOM 89 CG GLN A 6 -15.638 7.882 -2.365 1.00 22.11 C ATOM 90 CD GLN A 6 -15.749 9.111 -1.492 1.00 34.41 C ATOM 91 OE1 GLN A 6 -16.030 10.208 -1.974 1.00 31.51 O ATOM 92 NE2 GLN A 6 -15.528 8.941 -0.200 1.00 41.33 N ATOM 0 H GLN A 6 -15.739 5.780 -4.831 1.00 21.25 H new ATOM 0 HA GLN A 6 -13.044 6.351 -4.077 1.00 60.53 H new ATOM 0 HB2 GLN A 6 -13.536 7.632 -2.064 1.00 15.42 H new ATOM 0 HB3 GLN A 6 -13.953 8.534 -3.507 1.00 15.42 H new ATOM 0 HG2 GLN A 6 -16.332 7.970 -3.200 1.00 22.11 H new ATOM 0 HG3 GLN A 6 -15.939 7.005 -1.792 1.00 22.11 H new ATOM 0 HE21 GLN A 6 -15.298 8.015 0.160 1.00 41.33 H new ATOM 0 HE22 GLN A 6 -15.588 9.736 0.437 1.00 41.33 H new ATOM 101 N GLY A 7 -13.486 4.740 -2.081 1.00 11.23 N ATOM 102 CA GLY A 7 -13.729 3.575 -1.255 1.00 35.23 C ATOM 103 C GLY A 7 -13.094 2.337 -1.840 1.00 64.45 C ATOM 104 O GLY A 7 -13.321 1.222 -1.370 1.00 4.12 O ATOM 0 H GLY A 7 -12.566 5.165 -1.968 1.00 11.23 H new ATOM 0 HA2 GLY A 7 -13.334 3.749 -0.254 1.00 35.23 H new ATOM 0 HA3 GLY A 7 -14.803 3.419 -1.151 1.00 35.23 H new ATOM 108 N GLU A 8 -12.286 2.538 -2.868 1.00 72.21 N ATOM 109 CA GLU A 8 -11.543 1.450 -3.475 1.00 73.24 C ATOM 110 C GLU A 8 -10.411 1.046 -2.548 1.00 30.24 C ATOM 111 O GLU A 8 -9.864 -0.044 -2.662 1.00 61.34 O ATOM 112 CB GLU A 8 -10.977 1.849 -4.839 1.00 60.32 C ATOM 113 CG GLU A 8 -9.934 2.955 -4.776 1.00 21.14 C ATOM 114 CD GLU A 8 -10.540 4.340 -4.664 1.00 30.30 C ATOM 115 OE1 GLU A 8 -10.951 4.733 -3.551 1.00 34.02 O ATOM 116 OE2 GLU A 8 -10.605 5.039 -5.694 1.00 41.00 O ATOM 0 H GLU A 8 -12.129 3.449 -3.300 1.00 72.21 H new ATOM 0 HA GLU A 8 -12.222 0.612 -3.630 1.00 73.24 H new ATOM 0 HB2 GLU A 8 -10.533 0.971 -5.308 1.00 60.32 H new ATOM 0 HB3 GLU A 8 -11.797 2.173 -5.481 1.00 60.32 H new ATOM 0 HG2 GLU A 8 -9.280 2.781 -3.921 1.00 21.14 H new ATOM 0 HG3 GLU A 8 -9.310 2.909 -5.669 1.00 21.14 H new ATOM 123 N TRP A 9 -10.073 1.952 -1.630 1.00 52.01 N ATOM 124 CA TRP A 9 -9.057 1.703 -0.616 1.00 33.04 C ATOM 125 C TRP A 9 -9.332 0.377 0.078 1.00 23.13 C ATOM 126 O TRP A 9 -8.471 -0.484 0.144 1.00 63.03 O ATOM 127 CB TRP A 9 -9.072 2.832 0.421 1.00 22.32 C ATOM 128 CG TRP A 9 -7.715 3.276 0.900 1.00 64.32 C ATOM 129 CD1 TRP A 9 -7.311 4.569 1.061 1.00 54.42 C ATOM 130 CD2 TRP A 9 -6.589 2.456 1.274 1.00 3.05 C ATOM 131 NE1 TRP A 9 -6.021 4.610 1.522 1.00 51.41 N ATOM 132 CE2 TRP A 9 -5.553 3.328 1.658 1.00 12.15 C ATOM 133 CE3 TRP A 9 -6.353 1.075 1.329 1.00 22.02 C ATOM 134 CZ2 TRP A 9 -4.311 2.865 2.085 1.00 21.40 C ATOM 135 CZ3 TRP A 9 -5.118 0.620 1.752 1.00 12.44 C ATOM 136 CH2 TRP A 9 -4.114 1.512 2.126 1.00 32.42 C ATOM 0 H TRP A 9 -10.498 2.878 -1.571 1.00 52.01 H new ATOM 0 HA TRP A 9 -8.079 1.663 -1.097 1.00 33.04 H new ATOM 0 HB2 TRP A 9 -9.588 3.691 -0.007 1.00 22.32 H new ATOM 0 HB3 TRP A 9 -9.656 2.506 1.282 1.00 22.32 H new ATOM 0 HD1 TRP A 9 -7.921 5.436 0.855 1.00 54.42 H new ATOM 0 HE1 TRP A 9 -5.494 5.458 1.730 1.00 51.41 H new ATOM 0 HE3 TRP A 9 -7.126 0.376 1.045 1.00 22.02 H new ATOM 0 HZ2 TRP A 9 -3.529 3.552 2.374 1.00 21.40 H new ATOM 0 HZ3 TRP A 9 -4.928 -0.442 1.793 1.00 12.44 H new ATOM 0 HH2 TRP A 9 -3.160 1.127 2.455 1.00 32.42 H new ATOM 147 N MET A 10 -10.558 0.215 0.557 1.00 75.44 N ATOM 148 CA MET A 10 -10.958 -0.981 1.291 1.00 33.24 C ATOM 149 C MET A 10 -10.811 -2.223 0.421 1.00 12.14 C ATOM 150 O MET A 10 -10.393 -3.282 0.893 1.00 23.44 O ATOM 151 CB MET A 10 -12.407 -0.844 1.772 1.00 61.13 C ATOM 152 CG MET A 10 -12.645 0.373 2.655 1.00 34.11 C ATOM 153 SD MET A 10 -12.568 1.929 1.739 1.00 3.34 S ATOM 154 CE MET A 10 -12.626 3.112 3.078 1.00 12.14 C ATOM 0 H MET A 10 -11.301 0.905 0.449 1.00 75.44 H new ATOM 0 HA MET A 10 -10.304 -1.088 2.156 1.00 33.24 H new ATOM 0 HB2 MET A 10 -13.065 -0.787 0.905 1.00 61.13 H new ATOM 0 HB3 MET A 10 -12.684 -1.742 2.324 1.00 61.13 H new ATOM 0 HG2 MET A 10 -13.621 0.285 3.131 1.00 34.11 H new ATOM 0 HG3 MET A 10 -11.902 0.389 3.452 1.00 34.11 H new ATOM 0 HE1 MET A 10 -12.587 4.123 2.672 1.00 12.14 H new ATOM 0 HE2 MET A 10 -13.552 2.982 3.639 1.00 12.14 H new ATOM 0 HE3 MET A 10 -11.775 2.954 3.740 1.00 12.14 H new ATOM 164 N LYS A 11 -11.139 -2.075 -0.858 1.00 62.31 N ATOM 165 CA LYS A 11 -11.045 -3.173 -1.811 1.00 44.45 C ATOM 166 C LYS A 11 -9.576 -3.507 -2.079 1.00 75.44 C ATOM 167 O LYS A 11 -9.176 -4.669 -2.030 1.00 75.42 O ATOM 168 CB LYS A 11 -11.773 -2.792 -3.112 1.00 32.11 C ATOM 169 CG LYS A 11 -12.081 -3.967 -4.037 1.00 74.05 C ATOM 170 CD LYS A 11 -10.879 -4.382 -4.875 1.00 12.22 C ATOM 171 CE LYS A 11 -10.424 -3.261 -5.795 1.00 54.42 C ATOM 172 NZ LYS A 11 -9.300 -3.681 -6.671 1.00 5.32 N ATOM 0 H LYS A 11 -11.474 -1.199 -1.260 1.00 62.31 H new ATOM 0 HA LYS A 11 -11.524 -4.060 -1.396 1.00 44.45 H new ATOM 0 HB2 LYS A 11 -12.708 -2.293 -2.857 1.00 32.11 H new ATOM 0 HB3 LYS A 11 -11.164 -2.069 -3.655 1.00 32.11 H new ATOM 0 HG2 LYS A 11 -12.415 -4.816 -3.441 1.00 74.05 H new ATOM 0 HG3 LYS A 11 -12.905 -3.698 -4.698 1.00 74.05 H new ATOM 0 HD2 LYS A 11 -10.058 -4.670 -4.218 1.00 12.22 H new ATOM 0 HD3 LYS A 11 -11.134 -5.260 -5.469 1.00 12.22 H new ATOM 0 HE2 LYS A 11 -11.262 -2.935 -6.411 1.00 54.42 H new ATOM 0 HE3 LYS A 11 -10.116 -2.403 -5.197 1.00 54.42 H new ATOM 0 HZ1 LYS A 11 -8.813 -2.839 -7.039 1.00 5.32 H new ATOM 0 HZ2 LYS A 11 -8.630 -4.257 -6.123 1.00 5.32 H new ATOM 0 HZ3 LYS A 11 -9.670 -4.241 -7.465 1.00 5.32 H new ATOM 186 N ASN A 12 -8.784 -2.474 -2.355 1.00 54.22 N ATOM 187 CA ASN A 12 -7.350 -2.624 -2.597 1.00 3.42 C ATOM 188 C ASN A 12 -6.644 -3.138 -1.347 1.00 64.34 C ATOM 189 O ASN A 12 -5.699 -3.924 -1.432 1.00 22.43 O ATOM 190 CB ASN A 12 -6.739 -1.276 -3.010 1.00 62.12 C ATOM 191 CG ASN A 12 -7.174 -0.812 -4.391 1.00 40.52 C ATOM 192 OD1 ASN A 12 -8.237 -1.180 -4.886 1.00 2.30 O ATOM 193 ND2 ASN A 12 -6.359 0.023 -5.018 1.00 34.11 N ATOM 0 H ASN A 12 -9.116 -1.512 -2.417 1.00 54.22 H new ATOM 0 HA ASN A 12 -7.215 -3.346 -3.402 1.00 3.42 H new ATOM 0 HB2 ASN A 12 -7.018 -0.519 -2.276 1.00 62.12 H new ATOM 0 HB3 ASN A 12 -5.652 -1.356 -2.988 1.00 62.12 H new ATOM 0 HD21 ASN A 12 -6.606 0.381 -5.941 1.00 34.11 H new ATOM 0 HD22 ASN A 12 -5.484 0.308 -4.578 1.00 34.11 H new ATOM 200 N TYR A 13 -7.120 -2.690 -0.190 1.00 51.15 N ATOM 201 CA TYR A 13 -6.527 -3.053 1.088 1.00 3.22 C ATOM 202 C TYR A 13 -6.614 -4.555 1.297 1.00 63.20 C ATOM 203 O TYR A 13 -5.602 -5.204 1.516 1.00 23.14 O ATOM 204 CB TYR A 13 -7.239 -2.327 2.242 1.00 15.14 C ATOM 205 CG TYR A 13 -6.463 -2.271 3.550 1.00 65.44 C ATOM 206 CD1 TYR A 13 -5.635 -3.313 3.955 1.00 31.32 C ATOM 207 CD2 TYR A 13 -6.560 -1.162 4.380 1.00 61.24 C ATOM 208 CE1 TYR A 13 -4.933 -3.252 5.142 1.00 31.14 C ATOM 209 CE2 TYR A 13 -5.860 -1.094 5.570 1.00 5.42 C ATOM 210 CZ TYR A 13 -5.049 -2.141 5.947 1.00 71.41 C ATOM 211 OH TYR A 13 -4.346 -2.081 7.129 1.00 13.42 O ATOM 0 H TYR A 13 -7.925 -2.068 -0.114 1.00 51.15 H new ATOM 0 HA TYR A 13 -5.480 -2.751 1.077 1.00 3.22 H new ATOM 0 HB2 TYR A 13 -7.462 -1.308 1.926 1.00 15.14 H new ATOM 0 HB3 TYR A 13 -8.194 -2.819 2.426 1.00 15.14 H new ATOM 0 HD1 TYR A 13 -5.540 -4.187 3.328 1.00 31.32 H new ATOM 0 HD2 TYR A 13 -7.194 -0.337 4.090 1.00 61.24 H new ATOM 0 HE1 TYR A 13 -4.296 -4.072 5.438 1.00 31.14 H new ATOM 0 HE2 TYR A 13 -5.949 -0.223 6.202 1.00 5.42 H new ATOM 0 HH TYR A 13 -3.428 -1.789 6.949 1.00 13.42 H new ATOM 221 N GLU A 14 -7.819 -5.109 1.209 1.00 12.11 N ATOM 222 CA GLU A 14 -8.012 -6.528 1.482 1.00 15.22 C ATOM 223 C GLU A 14 -7.234 -7.396 0.491 1.00 72.43 C ATOM 224 O GLU A 14 -6.806 -8.502 0.831 1.00 14.03 O ATOM 225 CB GLU A 14 -9.497 -6.895 1.474 1.00 74.34 C ATOM 226 CG GLU A 14 -10.190 -6.694 0.137 1.00 24.23 C ATOM 227 CD GLU A 14 -11.602 -7.232 0.142 1.00 54.40 C ATOM 228 OE1 GLU A 14 -11.764 -8.469 0.212 1.00 71.23 O ATOM 229 OE2 GLU A 14 -12.557 -6.428 0.082 1.00 62.25 O ATOM 0 H GLU A 14 -8.667 -4.604 0.954 1.00 12.11 H new ATOM 0 HA GLU A 14 -7.620 -6.725 2.480 1.00 15.22 H new ATOM 0 HB2 GLU A 14 -9.602 -7.939 1.769 1.00 74.34 H new ATOM 0 HB3 GLU A 14 -10.010 -6.298 2.228 1.00 74.34 H new ATOM 0 HG2 GLU A 14 -10.208 -5.631 -0.105 1.00 24.23 H new ATOM 0 HG3 GLU A 14 -9.616 -7.190 -0.646 1.00 24.23 H new ATOM 236 N GLU A 15 -7.041 -6.891 -0.725 1.00 54.43 N ATOM 237 CA GLU A 15 -6.235 -7.590 -1.720 1.00 72.10 C ATOM 238 C GLU A 15 -4.784 -7.666 -1.266 1.00 52.54 C ATOM 239 O GLU A 15 -4.121 -8.687 -1.431 1.00 41.53 O ATOM 240 CB GLU A 15 -6.287 -6.879 -3.073 1.00 25.33 C ATOM 241 CG GLU A 15 -7.668 -6.797 -3.690 1.00 54.42 C ATOM 242 CD GLU A 15 -7.627 -6.236 -5.096 1.00 14.21 C ATOM 243 OE1 GLU A 15 -7.536 -5.001 -5.251 1.00 0.54 O ATOM 244 OE2 GLU A 15 -7.672 -7.036 -6.056 1.00 61.42 O ATOM 0 H GLU A 15 -7.430 -6.004 -1.043 1.00 54.43 H new ATOM 0 HA GLU A 15 -6.647 -8.594 -1.827 1.00 72.10 H new ATOM 0 HB2 GLU A 15 -5.897 -5.868 -2.953 1.00 25.33 H new ATOM 0 HB3 GLU A 15 -5.624 -7.396 -3.766 1.00 25.33 H new ATOM 0 HG2 GLU A 15 -8.117 -7.790 -3.709 1.00 54.42 H new ATOM 0 HG3 GLU A 15 -8.307 -6.170 -3.068 1.00 54.42 H new ATOM 251 N LEU A 16 -4.310 -6.583 -0.670 1.00 34.44 N ATOM 252 CA LEU A 16 -2.909 -6.460 -0.307 1.00 61.31 C ATOM 253 C LEU A 16 -2.684 -7.048 1.072 1.00 43.53 C ATOM 254 O LEU A 16 -1.648 -7.643 1.345 1.00 31.33 O ATOM 255 CB LEU A 16 -2.484 -4.985 -0.347 1.00 74.43 C ATOM 256 CG LEU A 16 -0.973 -4.721 -0.294 1.00 1.15 C ATOM 257 CD1 LEU A 16 -0.472 -4.709 1.138 1.00 5.32 C ATOM 258 CD2 LEU A 16 -0.216 -5.761 -1.107 1.00 53.33 C ATOM 0 H LEU A 16 -4.880 -5.773 -0.427 1.00 34.44 H new ATOM 0 HA LEU A 16 -2.300 -7.011 -1.023 1.00 61.31 H new ATOM 0 HB2 LEU A 16 -2.880 -4.538 -1.259 1.00 74.43 H new ATOM 0 HB3 LEU A 16 -2.953 -4.469 0.491 1.00 74.43 H new ATOM 0 HG LEU A 16 -0.791 -3.738 -0.729 1.00 1.15 H new ATOM 0 HD11 LEU A 16 0.601 -4.520 1.146 1.00 5.32 H new ATOM 0 HD12 LEU A 16 -0.983 -3.924 1.696 1.00 5.32 H new ATOM 0 HD13 LEU A 16 -0.674 -5.674 1.602 1.00 5.32 H new ATOM 0 HD21 LEU A 16 0.853 -5.555 -1.056 1.00 53.33 H new ATOM 0 HD22 LEU A 16 -0.414 -6.754 -0.703 1.00 53.33 H new ATOM 0 HD23 LEU A 16 -0.544 -5.720 -2.146 1.00 53.33 H new ATOM 270 N LYS A 17 -3.671 -6.880 1.929 1.00 3.35 N ATOM 271 CA LYS A 17 -3.626 -7.403 3.281 1.00 3.23 C ATOM 272 C LYS A 17 -3.447 -8.914 3.264 1.00 11.51 C ATOM 273 O LYS A 17 -2.586 -9.452 3.956 1.00 30.41 O ATOM 274 CB LYS A 17 -4.908 -7.016 4.011 1.00 64.53 C ATOM 275 CG LYS A 17 -4.983 -7.526 5.429 1.00 0.41 C ATOM 276 CD LYS A 17 -6.189 -6.959 6.155 1.00 45.42 C ATOM 277 CE LYS A 17 -6.289 -7.495 7.573 1.00 33.01 C ATOM 278 NZ LYS A 17 -7.383 -6.840 8.337 1.00 15.33 N ATOM 0 H LYS A 17 -4.529 -6.376 1.707 1.00 3.35 H new ATOM 0 HA LYS A 17 -2.773 -6.975 3.807 1.00 3.23 H new ATOM 0 HB2 LYS A 17 -4.995 -5.929 4.021 1.00 64.53 H new ATOM 0 HB3 LYS A 17 -5.762 -7.399 3.452 1.00 64.53 H new ATOM 0 HG2 LYS A 17 -5.037 -8.615 5.424 1.00 0.41 H new ATOM 0 HG3 LYS A 17 -4.073 -7.255 5.964 1.00 0.41 H new ATOM 0 HD2 LYS A 17 -6.121 -5.871 6.180 1.00 45.42 H new ATOM 0 HD3 LYS A 17 -7.096 -7.209 5.606 1.00 45.42 H new ATOM 0 HE2 LYS A 17 -6.461 -8.571 7.543 1.00 33.01 H new ATOM 0 HE3 LYS A 17 -5.342 -7.338 8.088 1.00 33.01 H new ATOM 0 HZ1 LYS A 17 -7.418 -7.233 9.299 1.00 15.33 H new ATOM 0 HZ2 LYS A 17 -7.206 -5.816 8.388 1.00 15.33 H new ATOM 0 HZ3 LYS A 17 -8.291 -7.011 7.859 1.00 15.33 H new ATOM 292 N SER A 18 -4.245 -9.582 2.446 1.00 62.54 N ATOM 293 CA SER A 18 -4.160 -11.027 2.295 1.00 25.51 C ATOM 294 C SER A 18 -2.866 -11.408 1.566 1.00 21.01 C ATOM 295 O SER A 18 -2.318 -12.493 1.763 1.00 0.41 O ATOM 296 CB SER A 18 -5.388 -11.533 1.527 1.00 73.32 C ATOM 297 OG SER A 18 -5.472 -12.950 1.525 1.00 30.11 O ATOM 0 H SER A 18 -4.965 -9.143 1.872 1.00 62.54 H new ATOM 0 HA SER A 18 -4.143 -11.495 3.279 1.00 25.51 H new ATOM 0 HB2 SER A 18 -6.291 -11.118 1.975 1.00 73.32 H new ATOM 0 HB3 SER A 18 -5.346 -11.172 0.499 1.00 73.32 H new ATOM 0 HG SER A 18 -6.388 -13.224 1.739 1.00 30.11 H new ATOM 303 N PHE A 19 -2.365 -10.493 0.746 1.00 73.11 N ATOM 304 CA PHE A 19 -1.145 -10.731 -0.012 1.00 34.02 C ATOM 305 C PHE A 19 0.078 -10.631 0.896 1.00 42.11 C ATOM 306 O PHE A 19 0.905 -11.543 0.942 1.00 44.34 O ATOM 307 CB PHE A 19 -1.037 -9.723 -1.161 1.00 30.23 C ATOM 308 CG PHE A 19 0.011 -10.061 -2.179 1.00 41.54 C ATOM 309 CD1 PHE A 19 1.317 -9.623 -2.029 1.00 73.03 C ATOM 310 CD2 PHE A 19 -0.315 -10.816 -3.293 1.00 51.33 C ATOM 311 CE1 PHE A 19 2.277 -9.935 -2.970 1.00 63.14 C ATOM 312 CE2 PHE A 19 0.641 -11.131 -4.238 1.00 52.11 C ATOM 313 CZ PHE A 19 1.940 -10.691 -4.074 1.00 12.20 C ATOM 0 H PHE A 19 -2.786 -9.577 0.589 1.00 73.11 H new ATOM 0 HA PHE A 19 -1.183 -11.738 -0.427 1.00 34.02 H new ATOM 0 HB2 PHE A 19 -2.003 -9.653 -1.660 1.00 30.23 H new ATOM 0 HB3 PHE A 19 -0.821 -8.738 -0.746 1.00 30.23 H new ATOM 0 HD1 PHE A 19 1.586 -9.031 -1.167 1.00 73.03 H new ATOM 0 HD2 PHE A 19 -1.329 -11.163 -3.424 1.00 51.33 H new ATOM 0 HE1 PHE A 19 3.292 -9.588 -2.842 1.00 63.14 H new ATOM 0 HE2 PHE A 19 0.374 -11.720 -5.103 1.00 52.11 H new ATOM 0 HZ PHE A 19 2.691 -10.939 -4.809 1.00 12.20 H new ATOM 323 N VAL A 20 0.176 -9.524 1.626 1.00 31.31 N ATOM 324 CA VAL A 20 1.322 -9.258 2.488 1.00 41.03 C ATOM 325 C VAL A 20 1.452 -10.297 3.606 1.00 73.11 C ATOM 326 O VAL A 20 2.559 -10.634 4.014 1.00 42.21 O ATOM 327 CB VAL A 20 1.263 -7.835 3.099 1.00 4.54 C ATOM 328 CG1 VAL A 20 0.132 -7.714 4.104 1.00 52.42 C ATOM 329 CG2 VAL A 20 2.594 -7.461 3.737 1.00 44.25 C ATOM 0 H VAL A 20 -0.532 -8.790 1.637 1.00 31.31 H new ATOM 0 HA VAL A 20 2.204 -9.327 1.852 1.00 41.03 H new ATOM 0 HB VAL A 20 1.066 -7.135 2.288 1.00 4.54 H new ATOM 0 HG11 VAL A 20 0.117 -6.705 4.515 1.00 52.42 H new ATOM 0 HG12 VAL A 20 -0.818 -7.919 3.610 1.00 52.42 H new ATOM 0 HG13 VAL A 20 0.283 -8.432 4.910 1.00 52.42 H new ATOM 0 HG21 VAL A 20 2.526 -6.458 4.158 1.00 44.25 H new ATOM 0 HG22 VAL A 20 2.831 -8.172 4.529 1.00 44.25 H new ATOM 0 HG23 VAL A 20 3.379 -7.485 2.981 1.00 44.25 H new ATOM 339 N ARG A 21 0.331 -10.806 4.108 1.00 53.02 N ATOM 340 CA ARG A 21 0.377 -11.800 5.179 1.00 52.12 C ATOM 341 C ARG A 21 0.773 -13.172 4.636 1.00 74.54 C ATOM 342 O ARG A 21 1.237 -14.033 5.379 1.00 75.32 O ATOM 343 CB ARG A 21 -0.964 -11.865 5.941 1.00 52.52 C ATOM 344 CG ARG A 21 -2.178 -12.223 5.092 1.00 74.11 C ATOM 345 CD ARG A 21 -2.377 -13.725 4.974 1.00 11.24 C ATOM 346 NE ARG A 21 -3.478 -14.044 4.069 1.00 0.43 N ATOM 347 CZ ARG A 21 -3.647 -15.223 3.477 1.00 1.23 C ATOM 348 NH1 ARG A 21 -2.851 -16.244 3.769 1.00 45.23 N ATOM 349 NH2 ARG A 21 -4.625 -15.379 2.592 1.00 1.34 N ATOM 0 H ARG A 21 -0.607 -10.553 3.798 1.00 53.02 H new ATOM 0 HA ARG A 21 1.143 -11.489 5.889 1.00 52.12 H new ATOM 0 HB2 ARG A 21 -0.873 -12.598 6.742 1.00 52.52 H new ATOM 0 HB3 ARG A 21 -1.143 -10.898 6.412 1.00 52.52 H new ATOM 0 HG2 ARG A 21 -3.070 -11.774 5.530 1.00 74.11 H new ATOM 0 HG3 ARG A 21 -2.061 -11.795 4.096 1.00 74.11 H new ATOM 0 HD2 ARG A 21 -1.459 -14.188 4.612 1.00 11.24 H new ATOM 0 HD3 ARG A 21 -2.579 -14.146 5.959 1.00 11.24 H new ATOM 0 HE ARG A 21 -4.164 -13.313 3.878 1.00 0.43 H new ATOM 0 HH11 ARG A 21 -2.103 -16.128 4.452 1.00 45.23 H new ATOM 0 HH12 ARG A 21 -2.988 -17.145 3.310 1.00 45.23 H new ATOM 0 HH21 ARG A 21 -5.241 -14.597 2.370 1.00 1.34 H new ATOM 0 HH22 ARG A 21 -4.760 -16.281 2.135 1.00 1.34 H new ATOM 363 N LYS A 22 0.609 -13.368 3.335 1.00 42.15 N ATOM 364 CA LYS A 22 0.938 -14.647 2.720 1.00 24.44 C ATOM 365 C LYS A 22 2.344 -14.627 2.133 1.00 4.21 C ATOM 366 O LYS A 22 3.178 -15.459 2.478 1.00 72.44 O ATOM 367 CB LYS A 22 -0.080 -14.995 1.632 1.00 5.30 C ATOM 368 CG LYS A 22 0.093 -16.391 1.047 1.00 75.23 C ATOM 369 CD LYS A 22 -0.913 -16.665 -0.060 1.00 24.43 C ATOM 370 CE LYS A 22 -0.783 -18.083 -0.609 1.00 70.34 C ATOM 371 NZ LYS A 22 0.557 -18.347 -1.207 1.00 11.14 N ATOM 0 H LYS A 22 0.253 -12.664 2.689 1.00 42.15 H new ATOM 0 HA LYS A 22 0.902 -15.411 3.496 1.00 24.44 H new ATOM 0 HB2 LYS A 22 -1.084 -14.908 2.047 1.00 5.30 H new ATOM 0 HB3 LYS A 22 -0.002 -14.263 0.828 1.00 5.30 H new ATOM 0 HG2 LYS A 22 1.104 -16.499 0.655 1.00 75.23 H new ATOM 0 HG3 LYS A 22 -0.023 -17.134 1.836 1.00 75.23 H new ATOM 0 HD2 LYS A 22 -1.923 -16.515 0.322 1.00 24.43 H new ATOM 0 HD3 LYS A 22 -0.768 -15.948 -0.868 1.00 24.43 H new ATOM 0 HE2 LYS A 22 -0.965 -18.797 0.194 1.00 70.34 H new ATOM 0 HE3 LYS A 22 -1.552 -18.248 -1.363 1.00 70.34 H new ATOM 0 HZ1 LYS A 22 0.516 -19.212 -1.782 1.00 11.14 H new ATOM 0 HZ2 LYS A 22 0.833 -17.544 -1.808 1.00 11.14 H new ATOM 0 HZ3 LYS A 22 1.258 -18.469 -0.448 1.00 11.14 H new ATOM 385 N TYR A 23 2.611 -13.665 1.259 1.00 43.42 N ATOM 386 CA TYR A 23 3.878 -13.625 0.534 1.00 21.34 C ATOM 387 C TYR A 23 4.904 -12.751 1.241 1.00 65.04 C ATOM 388 O TYR A 23 6.104 -12.877 0.997 1.00 51.12 O ATOM 389 CB TYR A 23 3.653 -13.103 -0.884 1.00 10.32 C ATOM 390 CG TYR A 23 2.667 -13.928 -1.680 1.00 22.24 C ATOM 391 CD1 TYR A 23 3.087 -15.030 -2.413 1.00 30.44 C ATOM 392 CD2 TYR A 23 1.314 -13.613 -1.686 1.00 51.51 C ATOM 393 CE1 TYR A 23 2.185 -15.794 -3.126 1.00 44.34 C ATOM 394 CE2 TYR A 23 0.409 -14.372 -2.400 1.00 32.45 C ATOM 395 CZ TYR A 23 0.850 -15.460 -3.115 1.00 42.42 C ATOM 396 OH TYR A 23 -0.050 -16.230 -3.810 1.00 4.43 O ATOM 0 H TYR A 23 1.971 -12.904 1.034 1.00 43.42 H new ATOM 0 HA TYR A 23 4.268 -14.642 0.496 1.00 21.34 H new ATOM 0 HB2 TYR A 23 3.296 -12.075 -0.832 1.00 10.32 H new ATOM 0 HB3 TYR A 23 4.607 -13.083 -1.411 1.00 10.32 H new ATOM 0 HD1 TYR A 23 4.134 -15.293 -2.425 1.00 30.44 H new ATOM 0 HD2 TYR A 23 0.965 -12.760 -1.123 1.00 51.51 H new ATOM 0 HE1 TYR A 23 2.525 -16.650 -3.690 1.00 44.34 H new ATOM 0 HE2 TYR A 23 -0.639 -14.113 -2.397 1.00 32.45 H new ATOM 0 HH TYR A 23 -0.951 -15.860 -3.699 1.00 4.43 H new ATOM 406 N ARG A 24 4.419 -11.884 2.125 1.00 72.30 N ATOM 407 CA ARG A 24 5.260 -10.898 2.804 1.00 30.54 C ATOM 408 C ARG A 24 5.847 -9.913 1.802 1.00 23.44 C ATOM 409 O ARG A 24 6.956 -10.096 1.292 1.00 52.14 O ATOM 410 CB ARG A 24 6.358 -11.568 3.636 1.00 35.23 C ATOM 411 CG ARG A 24 5.810 -12.448 4.746 1.00 0.12 C ATOM 412 CD ARG A 24 4.861 -11.672 5.648 1.00 34.12 C ATOM 413 NE ARG A 24 5.554 -10.665 6.449 1.00 0.15 N ATOM 414 CZ ARG A 24 4.938 -9.685 7.108 1.00 1.53 C ATOM 415 NH1 ARG A 24 3.621 -9.525 6.992 1.00 24.14 N ATOM 416 NH2 ARG A 24 5.646 -8.859 7.867 1.00 53.13 N ATOM 0 H ARG A 24 3.435 -11.843 2.392 1.00 72.30 H new ATOM 0 HA ARG A 24 4.629 -10.342 3.497 1.00 30.54 H new ATOM 0 HB2 ARG A 24 6.987 -12.170 2.980 1.00 35.23 H new ATOM 0 HB3 ARG A 24 6.996 -10.799 4.071 1.00 35.23 H new ATOM 0 HG2 ARG A 24 5.288 -13.301 4.313 1.00 0.12 H new ATOM 0 HG3 ARG A 24 6.634 -12.846 5.338 1.00 0.12 H new ATOM 0 HD2 ARG A 24 4.100 -11.186 5.038 1.00 34.12 H new ATOM 0 HD3 ARG A 24 4.344 -12.366 6.310 1.00 34.12 H new ATOM 0 HE ARG A 24 6.571 -10.716 6.507 1.00 0.15 H new ATOM 0 HH11 ARG A 24 3.081 -10.154 6.397 1.00 24.14 H new ATOM 0 HH12 ARG A 24 3.152 -8.774 7.498 1.00 24.14 H new ATOM 0 HH21 ARG A 24 6.656 -8.976 7.943 1.00 53.13 H new ATOM 0 HH22 ARG A 24 5.180 -8.107 8.374 1.00 53.13 H new ATOM 430 N ARG A 25 5.066 -8.863 1.538 1.00 63.11 N ATOM 431 CA ARG A 25 5.373 -7.865 0.512 1.00 53.45 C ATOM 432 C ARG A 25 5.257 -8.457 -0.883 1.00 13.35 C ATOM 433 O ARG A 25 4.982 -9.645 -1.053 1.00 61.40 O ATOM 434 CB ARG A 25 6.769 -7.251 0.682 1.00 45.23 C ATOM 435 CG ARG A 25 6.853 -6.171 1.743 1.00 52.15 C ATOM 436 CD ARG A 25 6.793 -6.750 3.140 1.00 71.24 C ATOM 437 NE ARG A 25 7.938 -7.618 3.415 1.00 72.41 N ATOM 438 CZ ARG A 25 8.336 -7.984 4.631 1.00 34.31 C ATOM 439 NH1 ARG A 25 7.690 -7.566 5.717 1.00 44.02 N ATOM 440 NH2 ARG A 25 9.389 -8.778 4.757 1.00 64.12 N ATOM 0 H ARG A 25 4.194 -8.680 2.035 1.00 63.11 H new ATOM 0 HA ARG A 25 4.636 -7.072 0.637 1.00 53.45 H new ATOM 0 HB2 ARG A 25 7.474 -8.044 0.932 1.00 45.23 H new ATOM 0 HB3 ARG A 25 7.087 -6.831 -0.272 1.00 45.23 H new ATOM 0 HG2 ARG A 25 7.781 -5.613 1.621 1.00 52.15 H new ATOM 0 HG3 ARG A 25 6.035 -5.464 1.607 1.00 52.15 H new ATOM 0 HD2 ARG A 25 6.767 -5.940 3.869 1.00 71.24 H new ATOM 0 HD3 ARG A 25 5.870 -7.317 3.260 1.00 71.24 H new ATOM 0 HE ARG A 25 8.469 -7.968 2.618 1.00 72.41 H new ATOM 0 HH11 ARG A 25 6.878 -6.956 5.624 1.00 44.02 H new ATOM 0 HH12 ARG A 25 8.007 -7.855 6.642 1.00 44.02 H new ATOM 0 HH21 ARG A 25 9.885 -9.102 3.927 1.00 64.12 H new ATOM 0 HH22 ARG A 25 9.703 -9.065 5.684 1.00 64.12 H new ATOM 454 N PHE A 26 5.440 -7.608 -1.879 1.00 5.01 N ATOM 455 CA PHE A 26 5.449 -8.055 -3.266 1.00 53.02 C ATOM 456 C PHE A 26 6.753 -8.774 -3.585 1.00 65.24 C ATOM 457 O PHE A 26 7.817 -8.394 -3.093 1.00 72.30 O ATOM 458 CB PHE A 26 5.295 -6.868 -4.221 1.00 34.23 C ATOM 459 CG PHE A 26 4.068 -6.048 -3.980 1.00 31.34 C ATOM 460 CD1 PHE A 26 2.853 -6.415 -4.532 1.00 73.44 C ATOM 461 CD2 PHE A 26 4.131 -4.903 -3.205 1.00 12.43 C ATOM 462 CE1 PHE A 26 1.724 -5.656 -4.314 1.00 72.24 C ATOM 463 CE2 PHE A 26 3.006 -4.140 -2.983 1.00 51.10 C ATOM 464 CZ PHE A 26 1.802 -4.516 -3.538 1.00 34.45 C ATOM 0 H PHE A 26 5.584 -6.606 -1.756 1.00 5.01 H new ATOM 0 HA PHE A 26 4.610 -8.738 -3.399 1.00 53.02 H new ATOM 0 HB2 PHE A 26 6.172 -6.226 -4.131 1.00 34.23 H new ATOM 0 HB3 PHE A 26 5.276 -7.239 -5.246 1.00 34.23 H new ATOM 0 HD1 PHE A 26 2.789 -7.305 -5.140 1.00 73.44 H new ATOM 0 HD2 PHE A 26 5.073 -4.604 -2.769 1.00 12.43 H new ATOM 0 HE1 PHE A 26 0.781 -5.952 -4.749 1.00 72.24 H new ATOM 0 HE2 PHE A 26 3.067 -3.249 -2.375 1.00 51.10 H new ATOM 0 HZ PHE A 26 0.919 -3.919 -3.366 1.00 34.45 H new ATOM 474 N PRO A 27 6.688 -9.824 -4.416 1.00 3.33 N ATOM 475 CA PRO A 27 7.885 -10.473 -4.945 1.00 21.04 C ATOM 476 C PRO A 27 8.552 -9.592 -5.995 1.00 22.31 C ATOM 477 O PRO A 27 9.773 -9.617 -6.174 1.00 65.53 O ATOM 478 CB PRO A 27 7.347 -11.760 -5.574 1.00 44.11 C ATOM 479 CG PRO A 27 5.927 -11.460 -5.911 1.00 13.43 C ATOM 480 CD PRO A 27 5.447 -10.476 -4.878 1.00 11.24 C ATOM 0 HA PRO A 27 8.642 -10.660 -4.183 1.00 21.04 H new ATOM 0 HB2 PRO A 27 7.915 -12.032 -6.464 1.00 44.11 H new ATOM 0 HB3 PRO A 27 7.420 -12.598 -4.881 1.00 44.11 H new ATOM 0 HG2 PRO A 27 5.845 -11.042 -6.914 1.00 13.43 H new ATOM 0 HG3 PRO A 27 5.323 -12.367 -5.894 1.00 13.43 H new ATOM 0 HD2 PRO A 27 4.750 -9.755 -5.305 1.00 11.24 H new ATOM 0 HD3 PRO A 27 4.928 -10.975 -4.060 1.00 11.24 H new ATOM 488 N LYS A 28 7.724 -8.801 -6.671 1.00 62.53 N ATOM 489 CA LYS A 28 8.178 -7.860 -7.682 1.00 41.42 C ATOM 490 C LYS A 28 6.996 -7.030 -8.167 1.00 53.23 C ATOM 491 O LYS A 28 6.722 -5.955 -7.636 1.00 11.20 O ATOM 492 CB LYS A 28 8.802 -8.597 -8.871 1.00 64.31 C ATOM 493 CG LYS A 28 9.555 -7.690 -9.834 1.00 54.41 C ATOM 494 CD LYS A 28 10.874 -7.224 -9.241 1.00 72.30 C ATOM 495 CE LYS A 28 11.766 -8.406 -8.892 1.00 73.00 C ATOM 496 NZ LYS A 28 12.015 -9.282 -10.069 1.00 53.54 N ATOM 0 H LYS A 28 6.714 -8.797 -6.530 1.00 62.53 H new ATOM 0 HA LYS A 28 8.934 -7.212 -7.239 1.00 41.42 H new ATOM 0 HB2 LYS A 28 9.485 -9.359 -8.495 1.00 64.31 H new ATOM 0 HB3 LYS A 28 8.015 -9.117 -9.417 1.00 64.31 H new ATOM 0 HG2 LYS A 28 9.742 -8.222 -10.767 1.00 54.41 H new ATOM 0 HG3 LYS A 28 8.939 -6.825 -10.079 1.00 54.41 H new ATOM 0 HD2 LYS A 28 11.386 -6.575 -9.951 1.00 72.30 H new ATOM 0 HD3 LYS A 28 10.685 -6.631 -8.346 1.00 72.30 H new ATOM 0 HE2 LYS A 28 12.717 -8.041 -8.504 1.00 73.00 H new ATOM 0 HE3 LYS A 28 11.301 -8.989 -8.098 1.00 73.00 H new ATOM 0 HZ1 LYS A 28 12.779 -9.952 -9.848 1.00 53.54 H new ATOM 0 HZ2 LYS A 28 11.148 -9.809 -10.299 1.00 53.54 H new ATOM 0 HZ3 LYS A 28 12.291 -8.698 -10.884 1.00 53.54 H new ATOM 510 N SER A 29 6.285 -7.580 -9.150 1.00 72.42 N ATOM 511 CA SER A 29 5.102 -6.958 -9.734 1.00 25.24 C ATOM 512 C SER A 29 4.621 -7.805 -10.910 1.00 55.12 C ATOM 513 O SER A 29 5.220 -7.784 -11.988 1.00 64.51 O ATOM 514 CB SER A 29 5.405 -5.528 -10.198 1.00 11.24 C ATOM 515 OG SER A 29 6.549 -5.487 -11.041 1.00 62.31 O ATOM 0 H SER A 29 6.519 -8.481 -9.567 1.00 72.42 H new ATOM 0 HA SER A 29 4.320 -6.903 -8.976 1.00 25.24 H new ATOM 0 HB2 SER A 29 4.543 -5.127 -10.732 1.00 11.24 H new ATOM 0 HB3 SER A 29 5.568 -4.889 -9.330 1.00 11.24 H new ATOM 0 HG SER A 29 6.531 -6.251 -11.654 1.00 62.31 H new ATOM 521 N THR A 30 3.569 -8.577 -10.692 1.00 45.45 N ATOM 522 CA THR A 30 3.074 -9.490 -11.711 1.00 25.32 C ATOM 523 C THR A 30 1.625 -9.893 -11.438 1.00 62.12 C ATOM 524 O THR A 30 1.042 -10.695 -12.170 1.00 10.41 O ATOM 525 CB THR A 30 3.967 -10.751 -11.789 1.00 54.25 C ATOM 526 OG1 THR A 30 3.534 -11.610 -12.848 1.00 75.53 O ATOM 527 CG2 THR A 30 3.951 -11.518 -10.475 1.00 65.13 C ATOM 0 H THR A 30 3.041 -8.590 -9.819 1.00 45.45 H new ATOM 0 HA THR A 30 3.109 -8.969 -12.668 1.00 25.32 H new ATOM 0 HB THR A 30 4.986 -10.420 -11.988 1.00 54.25 H new ATOM 0 HG1 THR A 30 2.559 -11.558 -12.934 1.00 75.53 H new ATOM 0 HG21 THR A 30 4.587 -12.399 -10.560 1.00 65.13 H new ATOM 0 HG22 THR A 30 4.323 -10.878 -9.675 1.00 65.13 H new ATOM 0 HG23 THR A 30 2.931 -11.828 -10.247 1.00 65.13 H new ATOM 535 N GLU A 31 1.047 -9.329 -10.388 1.00 21.51 N ATOM 536 CA GLU A 31 -0.325 -9.643 -10.004 1.00 53.45 C ATOM 537 C GLU A 31 -1.291 -8.607 -10.579 1.00 53.32 C ATOM 538 O GLU A 31 -0.918 -7.827 -11.456 1.00 21.31 O ATOM 539 CB GLU A 31 -0.469 -9.753 -8.472 1.00 61.23 C ATOM 540 CG GLU A 31 0.192 -8.632 -7.675 1.00 62.40 C ATOM 541 CD GLU A 31 1.706 -8.714 -7.696 1.00 52.03 C ATOM 542 OE1 GLU A 31 2.272 -9.578 -6.998 1.00 3.11 O ATOM 543 OE2 GLU A 31 2.331 -7.933 -8.442 1.00 31.54 O ATOM 0 H GLU A 31 1.507 -8.649 -9.783 1.00 21.51 H new ATOM 0 HA GLU A 31 -0.580 -10.616 -10.423 1.00 53.45 H new ATOM 0 HB2 GLU A 31 -1.530 -9.777 -8.224 1.00 61.23 H new ATOM 0 HB3 GLU A 31 -0.045 -10.704 -8.151 1.00 61.23 H new ATOM 0 HG2 GLU A 31 -0.121 -7.670 -8.080 1.00 62.40 H new ATOM 0 HG3 GLU A 31 -0.156 -8.672 -6.643 1.00 62.40 H new ATOM 550 N GLY A 32 -2.529 -8.606 -10.093 1.00 44.44 N ATOM 551 CA GLY A 32 -3.557 -7.751 -10.665 1.00 51.23 C ATOM 552 C GLY A 32 -3.421 -6.288 -10.274 1.00 21.30 C ATOM 553 O GLY A 32 -2.417 -5.639 -10.585 1.00 71.34 O ATOM 0 H GLY A 32 -2.840 -9.183 -9.312 1.00 44.44 H new ATOM 0 HA2 GLY A 32 -3.522 -7.833 -11.751 1.00 51.23 H new ATOM 0 HA3 GLY A 32 -4.536 -8.113 -10.349 1.00 51.23 H new ATOM 557 N ASN A 33 -4.435 -5.772 -9.588 1.00 50.44 N ATOM 558 CA ASN A 33 -4.493 -4.355 -9.228 1.00 32.02 C ATOM 559 C ASN A 33 -3.303 -3.944 -8.364 1.00 10.01 C ATOM 560 O ASN A 33 -2.795 -2.829 -8.484 1.00 35.15 O ATOM 561 CB ASN A 33 -5.811 -4.051 -8.506 1.00 2.41 C ATOM 562 CG ASN A 33 -5.891 -2.628 -7.988 1.00 10.12 C ATOM 563 OD1 ASN A 33 -6.242 -1.706 -8.724 1.00 34.25 O ATOM 564 ND2 ASN A 33 -5.605 -2.442 -6.709 1.00 0.03 N ATOM 0 H ASN A 33 -5.235 -6.317 -9.267 1.00 50.44 H new ATOM 0 HA ASN A 33 -4.446 -3.772 -10.148 1.00 32.02 H new ATOM 0 HB2 ASN A 33 -6.642 -4.230 -9.188 1.00 2.41 H new ATOM 0 HB3 ASN A 33 -5.929 -4.742 -7.672 1.00 2.41 H new ATOM 0 HD21 ASN A 33 -5.672 -1.509 -6.302 1.00 0.03 H new ATOM 0 HD22 ASN A 33 -5.317 -3.231 -6.131 1.00 0.03 H new ATOM 571 N LEU A 34 -2.849 -4.857 -7.514 1.00 62.12 N ATOM 572 CA LEU A 34 -1.744 -4.578 -6.601 1.00 75.31 C ATOM 573 C LEU A 34 -0.467 -4.223 -7.355 1.00 13.25 C ATOM 574 O LEU A 34 0.287 -3.341 -6.935 1.00 73.41 O ATOM 575 CB LEU A 34 -1.489 -5.779 -5.700 1.00 25.32 C ATOM 576 CG LEU A 34 -2.676 -6.205 -4.835 1.00 34.42 C ATOM 577 CD1 LEU A 34 -2.312 -7.422 -4.002 1.00 61.52 C ATOM 578 CD2 LEU A 34 -3.120 -5.060 -3.939 1.00 64.04 C ATOM 0 H LEU A 34 -3.229 -5.800 -7.437 1.00 62.12 H new ATOM 0 HA LEU A 34 -2.029 -3.719 -5.994 1.00 75.31 H new ATOM 0 HB2 LEU A 34 -1.191 -6.623 -6.322 1.00 25.32 H new ATOM 0 HB3 LEU A 34 -0.647 -5.551 -5.047 1.00 25.32 H new ATOM 0 HG LEU A 34 -3.506 -6.469 -5.491 1.00 34.42 H new ATOM 0 HD11 LEU A 34 -3.166 -7.714 -3.391 1.00 61.52 H new ATOM 0 HD12 LEU A 34 -2.039 -8.246 -4.661 1.00 61.52 H new ATOM 0 HD13 LEU A 34 -1.469 -7.181 -3.355 1.00 61.52 H new ATOM 0 HD21 LEU A 34 -3.966 -5.381 -3.331 1.00 64.04 H new ATOM 0 HD22 LEU A 34 -2.296 -4.766 -3.289 1.00 64.04 H new ATOM 0 HD23 LEU A 34 -3.417 -4.211 -4.554 1.00 64.04 H new ATOM 590 N GLY A 35 -0.242 -4.899 -8.478 1.00 33.40 N ATOM 591 CA GLY A 35 0.948 -4.651 -9.275 1.00 74.32 C ATOM 592 C GLY A 35 1.030 -3.210 -9.741 1.00 15.32 C ATOM 593 O GLY A 35 2.110 -2.615 -9.781 1.00 73.30 O ATOM 0 H GLY A 35 -0.864 -5.616 -8.852 1.00 33.40 H new ATOM 0 HA2 GLY A 35 1.834 -4.893 -8.688 1.00 74.32 H new ATOM 0 HA3 GLY A 35 0.949 -5.313 -10.141 1.00 74.32 H new ATOM 597 N GLY A 36 -0.117 -2.646 -10.083 1.00 64.02 N ATOM 598 CA GLY A 36 -0.168 -1.253 -10.478 1.00 11.03 C ATOM 599 C GLY A 36 -0.201 -0.332 -9.277 1.00 15.45 C ATOM 600 O GLY A 36 0.444 0.712 -9.272 1.00 72.30 O ATOM 0 H GLY A 36 -1.016 -3.128 -10.094 1.00 64.02 H new ATOM 0 HA2 GLY A 36 0.700 -1.017 -11.094 1.00 11.03 H new ATOM 0 HA3 GLY A 36 -1.051 -1.081 -11.093 1.00 11.03 H new ATOM 604 N TRP A 37 -0.940 -0.746 -8.249 1.00 71.43 N ATOM 605 CA TRP A 37 -1.101 0.035 -7.026 1.00 23.55 C ATOM 606 C TRP A 37 0.254 0.382 -6.413 1.00 44.23 C ATOM 607 O TRP A 37 0.476 1.509 -5.965 1.00 31.41 O ATOM 608 CB TRP A 37 -1.941 -0.750 -6.017 1.00 45.34 C ATOM 609 CG TRP A 37 -2.546 0.113 -4.955 1.00 53.20 C ATOM 610 CD1 TRP A 37 -3.344 1.199 -5.152 1.00 42.05 C ATOM 611 CD2 TRP A 37 -2.412 -0.040 -3.535 1.00 52.01 C ATOM 612 NE1 TRP A 37 -3.711 1.735 -3.947 1.00 2.30 N ATOM 613 CE2 TRP A 37 -3.156 0.993 -2.939 1.00 44.13 C ATOM 614 CE3 TRP A 37 -1.738 -0.945 -2.710 1.00 61.32 C ATOM 615 CZ2 TRP A 37 -3.246 1.143 -1.559 1.00 31.30 C ATOM 616 CZ3 TRP A 37 -1.829 -0.798 -1.342 1.00 22.11 C ATOM 617 CH2 TRP A 37 -2.578 0.240 -0.778 1.00 12.33 C ATOM 0 H TRP A 37 -1.444 -1.633 -8.242 1.00 71.43 H new ATOM 0 HA TRP A 37 -1.609 0.965 -7.279 1.00 23.55 H new ATOM 0 HB2 TRP A 37 -2.736 -1.275 -6.546 1.00 45.34 H new ATOM 0 HB3 TRP A 37 -1.316 -1.509 -5.547 1.00 45.34 H new ATOM 0 HD1 TRP A 37 -3.643 1.581 -6.117 1.00 42.05 H new ATOM 0 HE1 TRP A 37 -4.303 2.556 -3.820 1.00 2.30 H new ATOM 0 HE3 TRP A 37 -1.155 -1.747 -3.138 1.00 61.32 H new ATOM 0 HZ2 TRP A 37 -3.823 1.944 -1.120 1.00 31.30 H new ATOM 0 HZ3 TRP A 37 -1.314 -1.494 -0.697 1.00 22.11 H new ATOM 0 HH2 TRP A 37 -2.630 0.331 0.297 1.00 12.33 H new ATOM 628 N CYS A 38 1.157 -0.593 -6.404 1.00 62.41 N ATOM 629 CA CYS A 38 2.498 -0.388 -5.875 1.00 11.34 C ATOM 630 C CYS A 38 3.269 0.610 -6.739 1.00 54.52 C ATOM 631 O CYS A 38 3.984 1.470 -6.225 1.00 53.11 O ATOM 632 CB CYS A 38 3.248 -1.723 -5.807 1.00 21.53 C ATOM 633 SG CYS A 38 4.881 -1.621 -5.034 1.00 10.33 S ATOM 0 H CYS A 38 0.983 -1.534 -6.758 1.00 62.41 H new ATOM 0 HA CYS A 38 2.415 0.021 -4.868 1.00 11.34 H new ATOM 0 HB2 CYS A 38 2.641 -2.440 -5.254 1.00 21.53 H new ATOM 0 HB3 CYS A 38 3.361 -2.115 -6.818 1.00 21.53 H new ATOM 0 HG CYS A 38 5.047 -2.633 -4.235 1.00 10.33 H new ATOM 639 N HIS A 39 3.089 0.511 -8.051 1.00 32.52 N ATOM 640 CA HIS A 39 3.811 1.361 -8.997 1.00 42.02 C ATOM 641 C HIS A 39 3.335 2.807 -8.933 1.00 54.11 C ATOM 642 O HIS A 39 4.135 3.736 -9.054 1.00 31.13 O ATOM 643 CB HIS A 39 3.667 0.820 -10.424 1.00 41.53 C ATOM 644 CG HIS A 39 4.678 -0.232 -10.764 1.00 22.22 C ATOM 645 ND1 HIS A 39 4.381 -1.573 -10.828 1.00 71.33 N ATOM 646 CD2 HIS A 39 5.994 -0.126 -11.058 1.00 3.02 C ATOM 647 CE1 HIS A 39 5.472 -2.247 -11.143 1.00 4.14 C ATOM 648 NE2 HIS A 39 6.466 -1.392 -11.288 1.00 15.11 N ATOM 0 H HIS A 39 2.447 -0.151 -8.487 1.00 32.52 H new ATOM 0 HA HIS A 39 4.863 1.344 -8.714 1.00 42.02 H new ATOM 0 HB2 HIS A 39 2.666 0.406 -10.549 1.00 41.53 H new ATOM 0 HB3 HIS A 39 3.761 1.646 -11.129 1.00 41.53 H new ATOM 0 HD1 HIS A 39 3.462 -1.983 -10.659 1.00 71.33 H new ATOM 0 HD2 HIS A 39 6.567 0.788 -11.103 1.00 3.02 H new ATOM 0 HE1 HIS A 39 5.539 -3.318 -11.262 1.00 4.14 H new ATOM 657 N THR A 40 2.040 2.994 -8.738 1.00 23.31 N ATOM 658 CA THR A 40 1.465 4.328 -8.663 1.00 23.01 C ATOM 659 C THR A 40 1.916 5.044 -7.389 1.00 0.34 C ATOM 660 O THR A 40 2.332 6.204 -7.423 1.00 32.20 O ATOM 661 CB THR A 40 -0.074 4.260 -8.696 1.00 40.24 C ATOM 662 OG1 THR A 40 -0.498 3.390 -9.754 1.00 54.32 O ATOM 663 CG2 THR A 40 -0.682 5.639 -8.906 1.00 72.32 C ATOM 0 H THR A 40 1.365 2.237 -8.628 1.00 23.31 H new ATOM 0 HA THR A 40 1.816 4.890 -9.529 1.00 23.01 H new ATOM 0 HB THR A 40 -0.415 3.874 -7.736 1.00 40.24 H new ATOM 0 HG1 THR A 40 -0.312 2.460 -9.507 1.00 54.32 H new ATOM 0 HG21 THR A 40 -1.769 5.558 -8.925 1.00 72.32 H new ATOM 0 HG22 THR A 40 -0.381 6.297 -8.091 1.00 72.32 H new ATOM 0 HG23 THR A 40 -0.332 6.050 -9.853 1.00 72.32 H new ATOM 671 N GLN A 41 1.866 4.332 -6.271 1.00 63.44 N ATOM 672 CA GLN A 41 2.212 4.910 -4.978 1.00 20.54 C ATOM 673 C GLN A 41 3.723 5.058 -4.815 1.00 4.51 C ATOM 674 O GLN A 41 4.192 5.802 -3.953 1.00 43.32 O ATOM 675 CB GLN A 41 1.617 4.064 -3.855 1.00 13.12 C ATOM 676 CG GLN A 41 0.206 4.481 -3.455 1.00 50.12 C ATOM 677 CD GLN A 41 -0.684 4.821 -4.637 1.00 45.21 C ATOM 678 OE1 GLN A 41 -0.748 5.971 -5.066 1.00 33.54 O ATOM 679 NE2 GLN A 41 -1.372 3.828 -5.176 1.00 35.24 N ATOM 0 H GLN A 41 1.589 3.351 -6.233 1.00 63.44 H new ATOM 0 HA GLN A 41 1.786 5.912 -4.926 1.00 20.54 H new ATOM 0 HB2 GLN A 41 1.603 3.020 -4.167 1.00 13.12 H new ATOM 0 HB3 GLN A 41 2.266 4.127 -2.982 1.00 13.12 H new ATOM 0 HG2 GLN A 41 -0.254 3.675 -2.884 1.00 50.12 H new ATOM 0 HG3 GLN A 41 0.265 5.346 -2.794 1.00 50.12 H new ATOM 0 HE21 GLN A 41 -1.293 2.886 -4.793 1.00 35.24 H new ATOM 0 HE22 GLN A 41 -1.981 4.004 -5.975 1.00 35.24 H new ATOM 688 N ARG A 42 4.477 4.350 -5.649 1.00 55.52 N ATOM 689 CA ARG A 42 5.930 4.494 -5.699 1.00 4.30 C ATOM 690 C ARG A 42 6.297 5.933 -6.058 1.00 72.01 C ATOM 691 O ARG A 42 7.281 6.488 -5.562 1.00 13.11 O ATOM 692 CB ARG A 42 6.502 3.516 -6.735 1.00 33.52 C ATOM 693 CG ARG A 42 7.996 3.645 -6.989 1.00 11.34 C ATOM 694 CD ARG A 42 8.815 3.357 -5.741 1.00 13.01 C ATOM 695 NE ARG A 42 10.224 3.108 -6.057 1.00 71.10 N ATOM 696 CZ ARG A 42 11.202 3.983 -5.842 1.00 63.30 C ATOM 697 NH1 ARG A 42 10.920 5.189 -5.365 1.00 11.40 N ATOM 698 NH2 ARG A 42 12.458 3.655 -6.117 1.00 33.53 N ATOM 0 H ARG A 42 4.103 3.665 -6.305 1.00 55.52 H new ATOM 0 HA ARG A 42 6.356 4.264 -4.722 1.00 4.30 H new ATOM 0 HB2 ARG A 42 6.292 2.498 -6.406 1.00 33.52 H new ATOM 0 HB3 ARG A 42 5.975 3.661 -7.678 1.00 33.52 H new ATOM 0 HG2 ARG A 42 8.289 2.957 -7.782 1.00 11.34 H new ATOM 0 HG3 ARG A 42 8.218 4.652 -7.343 1.00 11.34 H new ATOM 0 HD2 ARG A 42 8.741 4.201 -5.055 1.00 13.01 H new ATOM 0 HD3 ARG A 42 8.400 2.490 -5.226 1.00 13.01 H new ATOM 0 HE ARG A 42 10.470 2.207 -6.468 1.00 71.10 H new ATOM 0 HH11 ARG A 42 9.953 5.444 -5.163 1.00 11.40 H new ATOM 0 HH12 ARG A 42 11.670 5.860 -5.200 1.00 11.40 H new ATOM 0 HH21 ARG A 42 12.673 2.732 -6.493 1.00 33.53 H new ATOM 0 HH22 ARG A 42 13.208 4.326 -5.952 1.00 33.53 H new ATOM 712 N LYS A 43 5.471 6.530 -6.906 1.00 12.12 N ATOM 713 CA LYS A 43 5.657 7.886 -7.367 1.00 41.41 C ATOM 714 C LYS A 43 5.302 8.893 -6.272 1.00 41.33 C ATOM 715 O LYS A 43 6.061 9.820 -5.990 1.00 45.24 O ATOM 716 CB LYS A 43 4.749 8.079 -8.570 1.00 60.21 C ATOM 717 CG LYS A 43 4.808 9.449 -9.196 1.00 53.32 C ATOM 718 CD LYS A 43 3.487 9.781 -9.856 1.00 54.31 C ATOM 719 CE LYS A 43 3.030 8.688 -10.811 1.00 74.21 C ATOM 720 NZ LYS A 43 3.897 8.580 -12.013 1.00 14.30 N ATOM 0 H LYS A 43 4.645 6.075 -7.294 1.00 12.12 H new ATOM 0 HA LYS A 43 6.701 8.053 -7.632 1.00 41.41 H new ATOM 0 HB2 LYS A 43 5.010 7.338 -9.326 1.00 60.21 H new ATOM 0 HB3 LYS A 43 3.721 7.878 -8.267 1.00 60.21 H new ATOM 0 HG2 LYS A 43 5.040 10.194 -8.435 1.00 53.32 H new ATOM 0 HG3 LYS A 43 5.610 9.485 -9.933 1.00 53.32 H new ATOM 0 HD2 LYS A 43 2.727 9.932 -9.089 1.00 54.31 H new ATOM 0 HD3 LYS A 43 3.581 10.721 -10.400 1.00 54.31 H new ATOM 0 HE2 LYS A 43 3.022 7.733 -10.287 1.00 74.21 H new ATOM 0 HE3 LYS A 43 2.005 8.889 -11.124 1.00 74.21 H new ATOM 0 HZ1 LYS A 43 3.542 7.822 -12.630 1.00 14.30 H new ATOM 0 HZ2 LYS A 43 3.886 9.482 -12.531 1.00 14.30 H new ATOM 0 HZ3 LYS A 43 4.871 8.361 -11.720 1.00 14.30 H new ATOM 734 N MET A 44 4.141 8.693 -5.653 1.00 71.14 N ATOM 735 CA MET A 44 3.633 9.607 -4.627 1.00 34.11 C ATOM 736 C MET A 44 4.558 9.638 -3.418 1.00 11.55 C ATOM 737 O MET A 44 4.644 10.647 -2.714 1.00 43.12 O ATOM 738 CB MET A 44 2.231 9.184 -4.173 1.00 3.31 C ATOM 739 CG MET A 44 1.326 8.754 -5.310 1.00 72.44 C ATOM 740 SD MET A 44 1.234 9.982 -6.621 1.00 3.23 S ATOM 741 CE MET A 44 0.410 9.025 -7.885 1.00 63.20 C ATOM 0 H MET A 44 3.528 7.900 -5.845 1.00 71.14 H new ATOM 0 HA MET A 44 3.588 10.603 -5.068 1.00 34.11 H new ATOM 0 HB2 MET A 44 2.321 8.363 -3.462 1.00 3.31 H new ATOM 0 HB3 MET A 44 1.764 10.014 -3.643 1.00 3.31 H new ATOM 0 HG2 MET A 44 1.689 7.813 -5.723 1.00 72.44 H new ATOM 0 HG3 MET A 44 0.325 8.566 -4.922 1.00 72.44 H new ATOM 0 HE1 MET A 44 0.114 9.681 -8.703 1.00 63.20 H new ATOM 0 HE2 MET A 44 1.088 8.259 -8.262 1.00 63.20 H new ATOM 0 HE3 MET A 44 -0.475 8.550 -7.462 1.00 63.20 H new ATOM 751 N ARG A 45 5.233 8.522 -3.178 1.00 73.00 N ATOM 752 CA ARG A 45 6.143 8.404 -2.043 1.00 74.40 C ATOM 753 C ARG A 45 7.280 9.416 -2.141 1.00 21.42 C ATOM 754 O ARG A 45 7.545 10.158 -1.198 1.00 35.51 O ATOM 755 CB ARG A 45 6.734 6.995 -1.960 1.00 14.01 C ATOM 756 CG ARG A 45 7.686 6.817 -0.784 1.00 33.42 C ATOM 757 CD ARG A 45 8.840 5.891 -1.123 1.00 62.10 C ATOM 758 NE ARG A 45 8.415 4.505 -1.336 1.00 65.51 N ATOM 759 CZ ARG A 45 9.244 3.532 -1.728 1.00 52.42 C ATOM 760 NH1 ARG A 45 10.509 3.819 -2.014 1.00 53.31 N ATOM 761 NH2 ARG A 45 8.804 2.284 -1.846 1.00 71.42 N ATOM 0 H ARG A 45 5.168 7.683 -3.754 1.00 73.00 H new ATOM 0 HA ARG A 45 5.562 8.606 -1.143 1.00 74.40 H new ATOM 0 HB2 ARG A 45 5.923 6.271 -1.877 1.00 14.01 H new ATOM 0 HB3 ARG A 45 7.264 6.774 -2.886 1.00 14.01 H new ATOM 0 HG2 ARG A 45 8.077 7.789 -0.484 1.00 33.42 H new ATOM 0 HG3 ARG A 45 7.138 6.416 0.069 1.00 33.42 H new ATOM 0 HD2 ARG A 45 9.339 6.255 -2.021 1.00 62.10 H new ATOM 0 HD3 ARG A 45 9.573 5.921 -0.316 1.00 62.10 H new ATOM 0 HE ARG A 45 7.435 4.270 -1.177 1.00 65.51 H new ATOM 0 HH11 ARG A 45 10.845 4.779 -1.934 1.00 53.31 H new ATOM 0 HH12 ARG A 45 11.145 3.080 -2.313 1.00 53.31 H new ATOM 0 HH21 ARG A 45 7.830 2.065 -1.637 1.00 71.42 H new ATOM 0 HH22 ARG A 45 9.440 1.545 -2.145 1.00 71.42 H new ATOM 775 N LYS A 46 7.930 9.456 -3.295 1.00 3.34 N ATOM 776 CA LYS A 46 9.094 10.304 -3.482 1.00 20.34 C ATOM 777 C LYS A 46 8.685 11.758 -3.682 1.00 64.23 C ATOM 778 O LYS A 46 9.490 12.672 -3.514 1.00 40.33 O ATOM 779 CB LYS A 46 9.923 9.806 -4.663 1.00 53.12 C ATOM 780 CG LYS A 46 9.150 9.685 -5.964 1.00 54.13 C ATOM 781 CD LYS A 46 10.059 9.273 -7.106 1.00 24.34 C ATOM 782 CE LYS A 46 11.113 10.331 -7.387 1.00 40.50 C ATOM 783 NZ LYS A 46 12.089 9.893 -8.414 1.00 1.04 N ATOM 0 H LYS A 46 7.669 8.910 -4.116 1.00 3.34 H new ATOM 0 HA LYS A 46 9.705 10.253 -2.581 1.00 20.34 H new ATOM 0 HB2 LYS A 46 10.762 10.485 -4.815 1.00 53.12 H new ATOM 0 HB3 LYS A 46 10.343 8.832 -4.412 1.00 53.12 H new ATOM 0 HG2 LYS A 46 8.352 8.952 -5.849 1.00 54.13 H new ATOM 0 HG3 LYS A 46 8.676 10.638 -6.199 1.00 54.13 H new ATOM 0 HD2 LYS A 46 10.546 8.328 -6.863 1.00 24.34 H new ATOM 0 HD3 LYS A 46 9.464 9.103 -8.003 1.00 24.34 H new ATOM 0 HE2 LYS A 46 10.625 11.247 -7.720 1.00 40.50 H new ATOM 0 HE3 LYS A 46 11.642 10.568 -6.464 1.00 40.50 H new ATOM 0 HZ1 LYS A 46 12.788 10.647 -8.572 1.00 1.04 H new ATOM 0 HZ2 LYS A 46 12.575 9.033 -8.087 1.00 1.04 H new ATOM 0 HZ3 LYS A 46 11.590 9.691 -9.304 1.00 1.04 H new ATOM 797 N GLN A 47 7.424 11.966 -4.032 1.00 52.42 N ATOM 798 CA GLN A 47 6.889 13.308 -4.169 1.00 42.42 C ATOM 799 C GLN A 47 6.426 13.839 -2.816 1.00 13.40 C ATOM 800 O GLN A 47 6.195 15.037 -2.654 1.00 4.40 O ATOM 801 CB GLN A 47 5.746 13.327 -5.186 1.00 32.52 C ATOM 802 CG GLN A 47 6.229 13.285 -6.627 1.00 22.55 C ATOM 803 CD GLN A 47 5.101 13.366 -7.635 1.00 21.31 C ATOM 804 OE1 GLN A 47 4.054 13.960 -7.378 1.00 41.03 O ATOM 805 NE2 GLN A 47 5.319 12.784 -8.803 1.00 5.32 N ATOM 0 H GLN A 47 6.754 11.221 -4.226 1.00 52.42 H new ATOM 0 HA GLN A 47 7.680 13.962 -4.536 1.00 42.42 H new ATOM 0 HB2 GLN A 47 5.091 12.475 -5.004 1.00 32.52 H new ATOM 0 HB3 GLN A 47 5.149 14.226 -5.035 1.00 32.52 H new ATOM 0 HG2 GLN A 47 6.920 14.111 -6.797 1.00 22.55 H new ATOM 0 HG3 GLN A 47 6.788 12.364 -6.790 1.00 22.55 H new ATOM 0 HE21 GLN A 47 6.201 12.302 -8.976 1.00 5.32 H new ATOM 0 HE22 GLN A 47 4.605 12.818 -9.531 1.00 5.32 H new ATOM 814 N GLY A 48 6.313 12.944 -1.839 1.00 15.20 N ATOM 815 CA GLY A 48 5.871 13.338 -0.514 1.00 42.31 C ATOM 816 C GLY A 48 4.401 13.700 -0.486 1.00 13.41 C ATOM 817 O GLY A 48 3.954 14.461 0.371 1.00 20.04 O ATOM 0 H GLY A 48 6.520 11.951 -1.942 1.00 15.20 H new ATOM 0 HA2 GLY A 48 6.056 12.523 0.186 1.00 42.31 H new ATOM 0 HA3 GLY A 48 6.460 14.190 -0.175 1.00 42.31 H new ATOM 821 N LYS A 49 3.645 13.142 -1.421 1.00 15.21 N ATOM 822 CA LYS A 49 2.225 13.440 -1.522 1.00 73.42 C ATOM 823 C LYS A 49 1.404 12.233 -1.114 1.00 34.32 C ATOM 824 O LYS A 49 0.174 12.268 -1.124 1.00 31.00 O ATOM 825 CB LYS A 49 1.851 13.868 -2.939 1.00 3.54 C ATOM 826 CG LYS A 49 2.259 12.874 -4.011 1.00 20.02 C ATOM 827 CD LYS A 49 1.622 13.209 -5.350 1.00 10.42 C ATOM 828 CE LYS A 49 0.121 12.963 -5.326 1.00 63.03 C ATOM 829 NZ LYS A 49 -0.528 13.373 -6.597 1.00 33.54 N ATOM 0 H LYS A 49 3.991 12.483 -2.118 1.00 15.21 H new ATOM 0 HA LYS A 49 2.007 14.267 -0.846 1.00 73.42 H new ATOM 0 HB2 LYS A 49 0.773 14.019 -2.989 1.00 3.54 H new ATOM 0 HB3 LYS A 49 2.318 14.829 -3.153 1.00 3.54 H new ATOM 0 HG2 LYS A 49 3.344 12.872 -4.113 1.00 20.02 H new ATOM 0 HG3 LYS A 49 1.965 11.869 -3.708 1.00 20.02 H new ATOM 0 HD2 LYS A 49 1.818 14.252 -5.597 1.00 10.42 H new ATOM 0 HD3 LYS A 49 2.079 12.605 -6.134 1.00 10.42 H new ATOM 0 HE2 LYS A 49 -0.071 11.905 -5.145 1.00 63.03 H new ATOM 0 HE3 LYS A 49 -0.324 13.514 -4.497 1.00 63.03 H new ATOM 0 HZ1 LYS A 49 -1.550 13.189 -6.540 1.00 33.54 H new ATOM 0 HZ2 LYS A 49 -0.367 14.388 -6.757 1.00 33.54 H new ATOM 0 HZ3 LYS A 49 -0.122 12.829 -7.385 1.00 33.54 H new ATOM 843 N LEU A 50 2.097 11.160 -0.772 1.00 34.14 N ATOM 844 CA LEU A 50 1.443 9.964 -0.277 1.00 25.20 C ATOM 845 C LEU A 50 0.708 10.274 1.024 1.00 43.43 C ATOM 846 O LEU A 50 1.202 11.036 1.856 1.00 34.32 O ATOM 847 CB LEU A 50 2.488 8.867 -0.022 1.00 12.14 C ATOM 848 CG LEU A 50 2.545 7.729 -1.042 1.00 71.32 C ATOM 849 CD1 LEU A 50 3.528 6.664 -0.584 1.00 54.31 C ATOM 850 CD2 LEU A 50 1.174 7.116 -1.253 1.00 72.15 C ATOM 0 H LEU A 50 3.113 11.094 -0.829 1.00 34.14 H new ATOM 0 HA LEU A 50 0.727 9.618 -1.023 1.00 25.20 H new ATOM 0 HB2 LEU A 50 3.471 9.336 0.022 1.00 12.14 H new ATOM 0 HB3 LEU A 50 2.297 8.435 0.960 1.00 12.14 H new ATOM 0 HG LEU A 50 2.883 8.142 -1.992 1.00 71.32 H new ATOM 0 HD11 LEU A 50 3.560 5.859 -1.318 1.00 54.31 H new ATOM 0 HD12 LEU A 50 4.520 7.104 -0.484 1.00 54.31 H new ATOM 0 HD13 LEU A 50 3.209 6.265 0.379 1.00 54.31 H new ATOM 0 HD21 LEU A 50 1.244 6.310 -1.983 1.00 72.15 H new ATOM 0 HD22 LEU A 50 0.804 6.719 -0.308 1.00 72.15 H new ATOM 0 HD23 LEU A 50 0.487 7.879 -1.620 1.00 72.15 H new ATOM 862 N PRO A 51 -0.485 9.703 1.213 1.00 75.12 N ATOM 863 CA PRO A 51 -1.200 9.795 2.478 1.00 65.41 C ATOM 864 C PRO A 51 -0.448 9.064 3.575 1.00 5.43 C ATOM 865 O PRO A 51 -0.085 7.895 3.422 1.00 73.45 O ATOM 866 CB PRO A 51 -2.547 9.116 2.202 1.00 21.43 C ATOM 867 CG PRO A 51 -2.664 9.066 0.719 1.00 32.41 C ATOM 868 CD PRO A 51 -1.259 8.984 0.199 1.00 21.23 C ATOM 0 HA PRO A 51 -1.313 10.825 2.818 1.00 65.41 H new ATOM 0 HB2 PRO A 51 -2.579 8.115 2.633 1.00 21.43 H new ATOM 0 HB3 PRO A 51 -3.369 9.679 2.643 1.00 21.43 H new ATOM 0 HG2 PRO A 51 -3.249 8.203 0.402 1.00 32.41 H new ATOM 0 HG3 PRO A 51 -3.171 9.952 0.337 1.00 32.41 H new ATOM 0 HD2 PRO A 51 -0.927 7.951 0.097 1.00 21.23 H new ATOM 0 HD3 PRO A 51 -1.165 9.448 -0.783 1.00 21.23 H new ATOM 876 N ASN A 52 -0.207 9.760 4.668 1.00 25.01 N ATOM 877 CA ASN A 52 0.485 9.185 5.811 1.00 12.00 C ATOM 878 C ASN A 52 -0.272 7.971 6.343 1.00 45.01 C ATOM 879 O ASN A 52 0.333 6.998 6.792 1.00 3.51 O ATOM 880 CB ASN A 52 0.670 10.245 6.901 1.00 22.20 C ATOM 881 CG ASN A 52 1.079 9.651 8.233 1.00 62.32 C ATOM 882 OD1 ASN A 52 2.249 9.338 8.459 1.00 64.13 O ATOM 883 ND2 ASN A 52 0.120 9.526 9.135 1.00 62.11 N ATOM 0 H ASN A 52 -0.482 10.734 4.792 1.00 25.01 H new ATOM 0 HA ASN A 52 1.471 8.847 5.493 1.00 12.00 H new ATOM 0 HB2 ASN A 52 1.426 10.962 6.580 1.00 22.20 H new ATOM 0 HB3 ASN A 52 -0.261 10.798 7.025 1.00 22.20 H new ATOM 0 HD21 ASN A 52 0.336 9.158 10.061 1.00 62.11 H new ATOM 0 HD22 ASN A 52 -0.836 9.798 8.904 1.00 62.11 H new ATOM 890 N ASP A 53 -1.595 8.019 6.251 1.00 73.22 N ATOM 891 CA ASP A 53 -2.429 6.885 6.642 1.00 33.51 C ATOM 892 C ASP A 53 -2.173 5.705 5.714 1.00 2.31 C ATOM 893 O ASP A 53 -1.972 4.587 6.165 1.00 4.44 O ATOM 894 CB ASP A 53 -3.911 7.261 6.621 1.00 11.12 C ATOM 895 CG ASP A 53 -4.255 8.296 7.673 1.00 61.31 C ATOM 896 OD1 ASP A 53 -4.288 7.945 8.868 1.00 33.25 O ATOM 897 OD2 ASP A 53 -4.474 9.470 7.308 1.00 2.20 O ATOM 0 H ASP A 53 -2.114 8.828 5.910 1.00 73.22 H new ATOM 0 HA ASP A 53 -2.166 6.602 7.661 1.00 33.51 H new ATOM 0 HB2 ASP A 53 -4.172 7.647 5.636 1.00 11.12 H new ATOM 0 HB3 ASP A 53 -4.513 6.367 6.783 1.00 11.12 H new ATOM 902 N ARG A 54 -2.156 5.974 4.415 1.00 12.22 N ATOM 903 CA ARG A 54 -1.819 4.967 3.402 1.00 71.44 C ATOM 904 C ARG A 54 -0.440 4.360 3.674 1.00 71.20 C ATOM 905 O ARG A 54 -0.200 3.182 3.407 1.00 21.23 O ATOM 906 CB ARG A 54 -1.878 5.614 2.004 1.00 23.13 C ATOM 907 CG ARG A 54 -1.002 4.964 0.931 1.00 45.22 C ATOM 908 CD ARG A 54 -1.425 3.540 0.594 1.00 20.42 C ATOM 909 NE ARG A 54 -0.582 2.959 -0.454 1.00 74.24 N ATOM 910 CZ ARG A 54 0.638 2.460 -0.243 1.00 40.31 C ATOM 911 NH1 ARG A 54 1.177 2.494 0.973 1.00 30.00 N ATOM 912 NH2 ARG A 54 1.322 1.921 -1.250 1.00 13.11 N ATOM 0 H ARG A 54 -2.374 6.892 4.029 1.00 12.22 H new ATOM 0 HA ARG A 54 -2.544 4.154 3.447 1.00 71.44 H new ATOM 0 HB2 ARG A 54 -2.912 5.598 1.660 1.00 23.13 H new ATOM 0 HB3 ARG A 54 -1.589 6.661 2.097 1.00 23.13 H new ATOM 0 HG2 ARG A 54 -1.037 5.570 0.026 1.00 45.22 H new ATOM 0 HG3 ARG A 54 0.034 4.958 1.271 1.00 45.22 H new ATOM 0 HD2 ARG A 54 -1.370 2.922 1.490 1.00 20.42 H new ATOM 0 HD3 ARG A 54 -2.465 3.537 0.268 1.00 20.42 H new ATOM 0 HE ARG A 54 -0.951 2.934 -1.405 1.00 74.24 H new ATOM 0 HH11 ARG A 54 0.658 2.903 1.750 1.00 30.00 H new ATOM 0 HH12 ARG A 54 2.110 2.111 1.128 1.00 30.00 H new ATOM 0 HH21 ARG A 54 0.914 1.889 -2.184 1.00 13.11 H new ATOM 0 HH22 ARG A 54 2.254 1.540 -1.087 1.00 13.11 H new ATOM 926 N ARG A 55 0.459 5.165 4.205 1.00 50.04 N ATOM 927 CA ARG A 55 1.784 4.693 4.576 1.00 64.24 C ATOM 928 C ARG A 55 1.720 3.823 5.838 1.00 33.13 C ATOM 929 O ARG A 55 2.402 2.802 5.936 1.00 73.41 O ATOM 930 CB ARG A 55 2.722 5.898 4.747 1.00 0.24 C ATOM 931 CG ARG A 55 4.018 5.615 5.495 1.00 21.21 C ATOM 932 CD ARG A 55 3.860 5.900 6.979 1.00 24.53 C ATOM 933 NE ARG A 55 5.132 5.876 7.696 1.00 25.43 N ATOM 934 CZ ARG A 55 5.525 6.827 8.548 1.00 4.25 C ATOM 935 NH1 ARG A 55 4.771 7.902 8.755 1.00 43.54 N ATOM 936 NH2 ARG A 55 6.678 6.702 9.188 1.00 61.23 N ATOM 0 H ARG A 55 0.297 6.155 4.391 1.00 50.04 H new ATOM 0 HA ARG A 55 2.184 4.061 3.783 1.00 64.24 H new ATOM 0 HB2 ARG A 55 2.970 6.287 3.759 1.00 0.24 H new ATOM 0 HB3 ARG A 55 2.183 6.685 5.274 1.00 0.24 H new ATOM 0 HG2 ARG A 55 4.307 4.574 5.349 1.00 21.21 H new ATOM 0 HG3 ARG A 55 4.820 6.229 5.086 1.00 21.21 H new ATOM 0 HD2 ARG A 55 3.392 6.876 7.110 1.00 24.53 H new ATOM 0 HD3 ARG A 55 3.187 5.163 7.417 1.00 24.53 H new ATOM 0 HE ARG A 55 5.758 5.086 7.537 1.00 25.43 H new ATOM 0 HH11 ARG A 55 3.884 8.006 8.261 1.00 43.54 H new ATOM 0 HH12 ARG A 55 5.079 8.623 9.407 1.00 43.54 H new ATOM 0 HH21 ARG A 55 7.263 5.881 9.030 1.00 61.23 H new ATOM 0 HH22 ARG A 55 6.981 7.426 9.839 1.00 61.23 H new ATOM 950 N LEU A 56 0.878 4.214 6.787 1.00 23.55 N ATOM 951 CA LEU A 56 0.758 3.496 8.050 1.00 40.31 C ATOM 952 C LEU A 56 -0.043 2.205 7.878 1.00 12.11 C ATOM 953 O LEU A 56 0.303 1.176 8.451 1.00 33.21 O ATOM 954 CB LEU A 56 0.098 4.388 9.108 1.00 54.11 C ATOM 955 CG LEU A 56 -0.173 3.713 10.457 1.00 13.43 C ATOM 956 CD1 LEU A 56 1.129 3.289 11.121 1.00 32.22 C ATOM 957 CD2 LEU A 56 -0.951 4.647 11.368 1.00 54.34 C ATOM 0 H LEU A 56 0.267 5.026 6.705 1.00 23.55 H new ATOM 0 HA LEU A 56 1.762 3.231 8.382 1.00 40.31 H new ATOM 0 HB2 LEU A 56 0.735 5.256 9.276 1.00 54.11 H new ATOM 0 HB3 LEU A 56 -0.847 4.758 8.709 1.00 54.11 H new ATOM 0 HG LEU A 56 -0.771 2.820 10.278 1.00 13.43 H new ATOM 0 HD11 LEU A 56 0.912 2.812 12.077 1.00 32.22 H new ATOM 0 HD12 LEU A 56 1.654 2.585 10.476 1.00 32.22 H new ATOM 0 HD13 LEU A 56 1.755 4.166 11.287 1.00 32.22 H new ATOM 0 HD21 LEU A 56 -1.136 4.154 12.322 1.00 54.34 H new ATOM 0 HD22 LEU A 56 -0.374 5.556 11.535 1.00 54.34 H new ATOM 0 HD23 LEU A 56 -1.902 4.902 10.901 1.00 54.34 H new ATOM 969 N LEU A 57 -1.108 2.265 7.081 1.00 61.55 N ATOM 970 CA LEU A 57 -1.980 1.112 6.860 1.00 11.20 C ATOM 971 C LEU A 57 -1.200 -0.060 6.271 1.00 14.33 C ATOM 972 O LEU A 57 -1.497 -1.222 6.550 1.00 60.22 O ATOM 973 CB LEU A 57 -3.145 1.484 5.933 1.00 13.53 C ATOM 974 CG LEU A 57 -4.070 2.590 6.451 1.00 22.41 C ATOM 975 CD1 LEU A 57 -5.251 2.788 5.515 1.00 74.54 C ATOM 976 CD2 LEU A 57 -4.547 2.279 7.860 1.00 55.14 C ATOM 0 H LEU A 57 -1.389 3.105 6.575 1.00 61.55 H new ATOM 0 HA LEU A 57 -2.381 0.809 7.827 1.00 11.20 H new ATOM 0 HB2 LEU A 57 -2.737 1.796 4.972 1.00 13.53 H new ATOM 0 HB3 LEU A 57 -3.742 0.590 5.751 1.00 13.53 H new ATOM 0 HG LEU A 57 -3.501 3.519 6.482 1.00 22.41 H new ATOM 0 HD11 LEU A 57 -5.894 3.578 5.903 1.00 74.54 H new ATOM 0 HD12 LEU A 57 -4.888 3.068 4.526 1.00 74.54 H new ATOM 0 HD13 LEU A 57 -5.819 1.860 5.444 1.00 74.54 H new ATOM 0 HD21 LEU A 57 -5.202 3.078 8.207 1.00 55.14 H new ATOM 0 HD22 LEU A 57 -5.094 1.336 7.859 1.00 55.14 H new ATOM 0 HD23 LEU A 57 -3.688 2.200 8.526 1.00 55.14 H new ATOM 988 N LEU A 58 -0.211 0.257 5.452 1.00 50.34 N ATOM 989 CA LEU A 58 0.663 -0.754 4.874 1.00 33.30 C ATOM 990 C LEU A 58 1.597 -1.319 5.935 1.00 1.01 C ATOM 991 O LEU A 58 1.788 -2.531 6.032 1.00 71.34 O ATOM 992 CB LEU A 58 1.458 -0.164 3.706 1.00 0.42 C ATOM 993 CG LEU A 58 0.776 -0.251 2.333 1.00 55.44 C ATOM 994 CD1 LEU A 58 0.853 -1.662 1.791 1.00 10.25 C ATOM 995 CD2 LEU A 58 -0.679 0.192 2.409 1.00 1.24 C ATOM 0 H LEU A 58 0.009 1.212 5.170 1.00 50.34 H new ATOM 0 HA LEU A 58 0.050 -1.570 4.493 1.00 33.30 H new ATOM 0 HB2 LEU A 58 1.666 0.884 3.923 1.00 0.42 H new ATOM 0 HB3 LEU A 58 2.419 -0.675 3.648 1.00 0.42 H new ATOM 0 HG LEU A 58 1.306 0.422 1.659 1.00 55.44 H new ATOM 0 HD11 LEU A 58 0.365 -1.705 0.817 1.00 10.25 H new ATOM 0 HD12 LEU A 58 1.898 -1.955 1.686 1.00 10.25 H new ATOM 0 HD13 LEU A 58 0.352 -2.344 2.478 1.00 10.25 H new ATOM 0 HD21 LEU A 58 -1.134 0.119 1.421 1.00 1.24 H new ATOM 0 HD22 LEU A 58 -1.219 -0.450 3.105 1.00 1.24 H new ATOM 0 HD23 LEU A 58 -0.727 1.224 2.755 1.00 1.24 H new ATOM 1007 N ASP A 59 2.156 -0.435 6.748 1.00 61.21 N ATOM 1008 CA ASP A 59 3.036 -0.841 7.842 1.00 13.32 C ATOM 1009 C ASP A 59 2.279 -1.723 8.829 1.00 54.35 C ATOM 1010 O ASP A 59 2.835 -2.668 9.391 1.00 31.13 O ATOM 1011 CB ASP A 59 3.597 0.389 8.559 1.00 41.25 C ATOM 1012 CG ASP A 59 4.459 0.027 9.751 1.00 64.33 C ATOM 1013 OD1 ASP A 59 3.918 -0.087 10.872 1.00 31.43 O ATOM 1014 OD2 ASP A 59 5.685 -0.135 9.581 1.00 5.40 O ATOM 0 H ASP A 59 2.017 0.573 6.673 1.00 61.21 H new ATOM 0 HA ASP A 59 3.866 -1.412 7.425 1.00 13.32 H new ATOM 0 HB2 ASP A 59 4.185 0.978 7.855 1.00 41.25 H new ATOM 0 HB3 ASP A 59 2.772 1.019 8.890 1.00 41.25 H new ATOM 1019 N LYS A 60 0.996 -1.418 9.001 1.00 70.23 N ATOM 1020 CA LYS A 60 0.116 -2.142 9.899 1.00 0.24 C ATOM 1021 C LYS A 60 0.150 -3.640 9.608 1.00 2.21 C ATOM 1022 O LYS A 60 0.285 -4.460 10.513 1.00 31.42 O ATOM 1023 CB LYS A 60 -1.307 -1.626 9.701 1.00 10.52 C ATOM 1024 CG LYS A 60 -1.627 -0.340 10.444 1.00 13.23 C ATOM 1025 CD LYS A 60 -1.729 -0.553 11.939 1.00 50.11 C ATOM 1026 CE LYS A 60 -2.105 0.735 12.653 1.00 31.02 C ATOM 1027 NZ LYS A 60 -2.285 0.526 14.111 1.00 22.13 N ATOM 0 H LYS A 60 0.537 -0.650 8.512 1.00 70.23 H new ATOM 0 HA LYS A 60 0.447 -1.984 10.925 1.00 0.24 H new ATOM 0 HB2 LYS A 60 -1.475 -1.465 8.636 1.00 10.52 H new ATOM 0 HB3 LYS A 60 -2.006 -2.398 10.022 1.00 10.52 H new ATOM 0 HG2 LYS A 60 -0.854 0.400 10.236 1.00 13.23 H new ATOM 0 HG3 LYS A 60 -2.567 0.068 10.072 1.00 13.23 H new ATOM 0 HD2 LYS A 60 -2.475 -1.320 12.150 1.00 50.11 H new ATOM 0 HD3 LYS A 60 -0.777 -0.920 12.323 1.00 50.11 H new ATOM 0 HE2 LYS A 60 -1.329 1.482 12.486 1.00 31.02 H new ATOM 0 HE3 LYS A 60 -3.026 1.131 12.226 1.00 31.02 H new ATOM 0 HZ1 LYS A 60 -2.541 1.428 14.562 1.00 22.13 H new ATOM 0 HZ2 LYS A 60 -3.042 -0.168 14.271 1.00 22.13 H new ATOM 0 HZ3 LYS A 60 -1.398 0.172 14.523 1.00 22.13 H new ATOM 1041 N ILE A 61 0.043 -3.980 8.332 1.00 2.33 N ATOM 1042 CA ILE A 61 -0.059 -5.369 7.908 1.00 31.03 C ATOM 1043 C ILE A 61 1.316 -5.988 7.646 1.00 43.42 C ATOM 1044 O ILE A 61 1.421 -7.153 7.254 1.00 51.23 O ATOM 1045 CB ILE A 61 -0.945 -5.491 6.652 1.00 54.31 C ATOM 1046 CG1 ILE A 61 -0.532 -4.448 5.610 1.00 31.02 C ATOM 1047 CG2 ILE A 61 -2.410 -5.329 7.033 1.00 63.35 C ATOM 1048 CD1 ILE A 61 -1.393 -4.443 4.367 1.00 72.32 C ATOM 0 H ILE A 61 0.024 -3.307 7.566 1.00 2.33 H new ATOM 0 HA ILE A 61 -0.522 -5.922 8.725 1.00 31.03 H new ATOM 0 HB ILE A 61 -0.810 -6.480 6.214 1.00 54.31 H new ATOM 0 HG12 ILE A 61 -0.567 -3.459 6.067 1.00 31.02 H new ATOM 0 HG13 ILE A 61 0.503 -4.629 5.321 1.00 31.02 H new ATOM 0 HG21 ILE A 61 -3.030 -5.416 6.141 1.00 63.35 H new ATOM 0 HG22 ILE A 61 -2.689 -6.105 7.746 1.00 63.35 H new ATOM 0 HG23 ILE A 61 -2.562 -4.349 7.486 1.00 63.35 H new ATOM 0 HD11 ILE A 61 -1.035 -3.677 3.680 1.00 72.32 H new ATOM 0 HD12 ILE A 61 -1.339 -5.418 3.883 1.00 72.32 H new ATOM 0 HD13 ILE A 61 -2.426 -4.231 4.641 1.00 72.32 H new ATOM 1060 N GLY A 62 2.367 -5.216 7.870 1.00 41.03 N ATOM 1061 CA GLY A 62 3.707 -5.756 7.764 1.00 51.43 C ATOM 1062 C GLY A 62 4.404 -5.403 6.466 1.00 44.10 C ATOM 1063 O GLY A 62 5.303 -6.123 6.022 1.00 23.34 O ATOM 0 H GLY A 62 2.318 -4.229 8.122 1.00 41.03 H new ATOM 0 HA2 GLY A 62 4.304 -5.389 8.599 1.00 51.43 H new ATOM 0 HA3 GLY A 62 3.661 -6.841 7.858 1.00 51.43 H new ATOM 1067 N PHE A 63 3.992 -4.315 5.843 1.00 52.11 N ATOM 1068 CA PHE A 63 4.687 -3.821 4.671 1.00 74.14 C ATOM 1069 C PHE A 63 5.776 -2.865 5.123 1.00 44.33 C ATOM 1070 O PHE A 63 5.511 -1.718 5.477 1.00 31.11 O ATOM 1071 CB PHE A 63 3.717 -3.130 3.711 1.00 72.41 C ATOM 1072 CG PHE A 63 4.282 -2.878 2.343 1.00 51.54 C ATOM 1073 CD1 PHE A 63 4.993 -1.720 2.066 1.00 33.25 C ATOM 1074 CD2 PHE A 63 4.092 -3.802 1.330 1.00 22.34 C ATOM 1075 CE1 PHE A 63 5.503 -1.492 0.802 1.00 61.12 C ATOM 1076 CE2 PHE A 63 4.596 -3.578 0.066 1.00 1.04 C ATOM 1077 CZ PHE A 63 5.303 -2.422 -0.199 1.00 62.45 C ATOM 0 H PHE A 63 3.185 -3.760 6.127 1.00 52.11 H new ATOM 0 HA PHE A 63 5.134 -4.656 4.131 1.00 74.14 H new ATOM 0 HB2 PHE A 63 2.820 -3.742 3.615 1.00 72.41 H new ATOM 0 HB3 PHE A 63 3.408 -2.179 4.146 1.00 72.41 H new ATOM 0 HD1 PHE A 63 5.150 -0.989 2.846 1.00 33.25 H new ATOM 0 HD2 PHE A 63 3.542 -4.709 1.532 1.00 22.34 H new ATOM 0 HE1 PHE A 63 6.057 -0.588 0.597 1.00 61.12 H new ATOM 0 HE2 PHE A 63 4.438 -4.306 -0.716 1.00 1.04 H new ATOM 0 HZ PHE A 63 5.699 -2.245 -1.188 1.00 62.45 H new ATOM 1087 N VAL A 64 6.995 -3.366 5.136 1.00 23.00 N ATOM 1088 CA VAL A 64 8.108 -2.643 5.704 1.00 3.44 C ATOM 1089 C VAL A 64 8.676 -1.610 4.728 1.00 41.10 C ATOM 1090 O VAL A 64 8.966 -1.912 3.568 1.00 41.15 O ATOM 1091 CB VAL A 64 9.209 -3.629 6.159 1.00 32.40 C ATOM 1092 CG1 VAL A 64 9.820 -4.367 4.977 1.00 62.04 C ATOM 1093 CG2 VAL A 64 10.286 -2.920 6.959 1.00 5.11 C ATOM 0 H VAL A 64 7.238 -4.280 4.755 1.00 23.00 H new ATOM 0 HA VAL A 64 7.740 -2.097 6.573 1.00 3.44 H new ATOM 0 HB VAL A 64 8.734 -4.366 6.806 1.00 32.40 H new ATOM 0 HG11 VAL A 64 10.590 -5.051 5.334 1.00 62.04 H new ATOM 0 HG12 VAL A 64 9.044 -4.932 4.460 1.00 62.04 H new ATOM 0 HG13 VAL A 64 10.264 -3.648 4.289 1.00 62.04 H new ATOM 0 HG21 VAL A 64 11.045 -3.640 7.265 1.00 5.11 H new ATOM 0 HG22 VAL A 64 10.746 -2.146 6.344 1.00 5.11 H new ATOM 0 HG23 VAL A 64 9.841 -2.464 7.844 1.00 5.11 H new ATOM 1103 N TRP A 65 8.805 -0.381 5.204 1.00 72.24 N ATOM 1104 CA TRP A 65 9.399 0.686 4.411 1.00 3.11 C ATOM 1105 C TRP A 65 10.901 0.738 4.666 1.00 22.22 C ATOM 1106 O TRP A 65 11.652 1.342 3.899 1.00 53.51 O ATOM 1107 CB TRP A 65 8.784 2.042 4.767 1.00 4.44 C ATOM 1108 CG TRP A 65 7.287 2.091 4.701 1.00 24.53 C ATOM 1109 CD1 TRP A 65 6.414 1.810 5.713 1.00 2.25 C ATOM 1110 CD2 TRP A 65 6.487 2.466 3.574 1.00 2.20 C ATOM 1111 NE1 TRP A 65 5.123 1.989 5.284 1.00 22.15 N ATOM 1112 CE2 TRP A 65 5.141 2.391 3.974 1.00 50.22 C ATOM 1113 CE3 TRP A 65 6.781 2.859 2.266 1.00 52.32 C ATOM 1114 CZ2 TRP A 65 4.091 2.698 3.113 1.00 10.43 C ATOM 1115 CZ3 TRP A 65 5.739 3.160 1.412 1.00 14.41 C ATOM 1116 CH2 TRP A 65 4.408 3.081 1.838 1.00 43.53 C ATOM 0 H TRP A 65 8.506 -0.097 6.137 1.00 72.24 H new ATOM 0 HA TRP A 65 9.203 0.478 3.359 1.00 3.11 H new ATOM 0 HB2 TRP A 65 9.098 2.314 5.775 1.00 4.44 H new ATOM 0 HB3 TRP A 65 9.188 2.797 4.092 1.00 4.44 H new ATOM 0 HD1 TRP A 65 6.698 1.493 6.706 1.00 2.25 H new ATOM 0 HE1 TRP A 65 4.286 1.846 5.849 1.00 22.15 H new ATOM 0 HE3 TRP A 65 7.805 2.926 1.929 1.00 52.32 H new ATOM 0 HZ2 TRP A 65 3.063 2.636 3.439 1.00 10.43 H new ATOM 0 HZ3 TRP A 65 5.954 3.462 0.398 1.00 14.41 H new ATOM 0 HH2 TRP A 65 3.616 3.327 1.147 1.00 43.53 H new ATOM 1127 N SER A 66 11.309 0.109 5.769 1.00 61.04 N ATOM 1128 CA SER A 66 12.703 0.057 6.200 1.00 21.15 C ATOM 1129 C SER A 66 13.177 1.416 6.720 1.00 31.35 C ATOM 1130 O SER A 66 13.238 1.627 7.935 1.00 0.05 O ATOM 1131 CB SER A 66 13.606 -0.451 5.070 1.00 23.34 C ATOM 1132 OG SER A 66 13.209 -1.754 4.663 1.00 44.33 O ATOM 0 H SER A 66 10.672 -0.384 6.394 1.00 61.04 H new ATOM 0 HA SER A 66 12.770 -0.650 7.027 1.00 21.15 H new ATOM 0 HB2 SER A 66 13.557 0.232 4.222 1.00 23.34 H new ATOM 0 HB3 SER A 66 14.643 -0.468 5.405 1.00 23.34 H new ATOM 0 HG SER A 66 13.794 -2.063 3.940 1.00 44.33 H new ATOM 1138 N LEU A 67 13.461 2.334 5.797 1.00 10.23 N ATOM 1139 CA LEU A 67 13.995 3.662 6.120 1.00 63.22 C ATOM 1140 C LEU A 67 15.317 3.569 6.875 1.00 13.22 C ATOM 1141 O LEU A 67 15.842 2.481 7.131 1.00 3.00 O ATOM 1142 CB LEU A 67 13.014 4.496 6.967 1.00 4.53 C ATOM 1143 CG LEU A 67 11.623 4.729 6.374 1.00 55.24 C ATOM 1144 CD1 LEU A 67 10.633 3.731 6.945 1.00 11.32 C ATOM 1145 CD2 LEU A 67 11.162 6.152 6.642 1.00 24.24 C ATOM 0 H LEU A 67 13.327 2.179 4.798 1.00 10.23 H new ATOM 0 HA LEU A 67 14.151 4.156 5.161 1.00 63.22 H new ATOM 0 HB2 LEU A 67 12.895 4.004 7.932 1.00 4.53 H new ATOM 0 HB3 LEU A 67 13.470 5.467 7.158 1.00 4.53 H new ATOM 0 HG LEU A 67 11.677 4.584 5.295 1.00 55.24 H new ATOM 0 HD11 LEU A 67 9.648 3.909 6.514 1.00 11.32 H new ATOM 0 HD12 LEU A 67 10.957 2.719 6.704 1.00 11.32 H new ATOM 0 HD13 LEU A 67 10.582 3.848 8.028 1.00 11.32 H new ATOM 0 HD21 LEU A 67 10.171 6.300 6.213 1.00 24.24 H new ATOM 0 HD22 LEU A 67 11.122 6.325 7.717 1.00 24.24 H new ATOM 0 HD23 LEU A 67 11.862 6.853 6.188 1.00 24.24 H new ATOM 1157 N GLU A 68 15.870 4.724 7.200 1.00 40.21 N ATOM 1158 CA GLU A 68 16.957 4.800 8.158 1.00 32.24 C ATOM 1159 C GLU A 68 16.359 4.872 9.553 1.00 34.01 C ATOM 1160 O GLU A 68 15.455 5.670 9.797 1.00 71.40 O ATOM 1161 CB GLU A 68 17.855 6.015 7.892 1.00 43.24 C ATOM 1162 CG GLU A 68 18.928 5.780 6.836 1.00 34.44 C ATOM 1163 CD GLU A 68 18.368 5.387 5.487 1.00 73.31 C ATOM 1164 OE1 GLU A 68 17.775 6.251 4.810 1.00 25.51 O ATOM 1165 OE2 GLU A 68 18.536 4.218 5.084 1.00 62.41 O ATOM 0 H GLU A 68 15.583 5.623 6.813 1.00 40.21 H new ATOM 0 HA GLU A 68 17.585 3.914 8.063 1.00 32.24 H new ATOM 0 HB2 GLU A 68 17.231 6.852 7.580 1.00 43.24 H new ATOM 0 HB3 GLU A 68 18.337 6.307 8.825 1.00 43.24 H new ATOM 0 HG2 GLU A 68 19.522 6.687 6.724 1.00 34.44 H new ATOM 0 HG3 GLU A 68 19.603 4.998 7.183 1.00 34.44 H new ATOM 1172 N HIS A 69 16.845 4.024 10.450 1.00 24.31 N ATOM 1173 CA HIS A 69 16.277 3.904 11.790 1.00 62.22 C ATOM 1174 C HIS A 69 16.360 5.207 12.571 1.00 64.42 C ATOM 1175 O HIS A 69 17.382 5.522 13.181 1.00 45.43 O ATOM 1176 CB HIS A 69 16.958 2.777 12.566 1.00 53.42 C ATOM 1177 CG HIS A 69 16.456 1.418 12.193 1.00 3.40 C ATOM 1178 ND1 HIS A 69 16.929 0.709 11.109 1.00 15.05 N ATOM 1179 CD2 HIS A 69 15.504 0.643 12.761 1.00 13.12 C ATOM 1180 CE1 HIS A 69 16.288 -0.442 11.029 1.00 50.33 C ATOM 1181 NE2 HIS A 69 15.421 -0.505 12.019 1.00 61.04 N ATOM 0 H HIS A 69 17.636 3.405 10.274 1.00 24.31 H new ATOM 0 HA HIS A 69 15.221 3.665 11.667 1.00 62.22 H new ATOM 0 HB2 HIS A 69 18.033 2.821 12.390 1.00 53.42 H new ATOM 0 HB3 HIS A 69 16.803 2.934 13.633 1.00 53.42 H new ATOM 0 HD2 HIS A 69 14.919 0.884 13.636 1.00 13.12 H new ATOM 0 HE1 HIS A 69 16.447 -1.203 10.279 1.00 50.33 H new ATOM 0 HE2 HIS A 69 14.789 -1.284 12.203 1.00 61.04 H new ATOM 1190 N HIS A 70 15.277 5.964 12.524 1.00 15.31 N ATOM 1191 CA HIS A 70 15.133 7.184 13.300 1.00 72.54 C ATOM 1192 C HIS A 70 13.682 7.321 13.731 1.00 1.12 C ATOM 1193 O HIS A 70 12.782 6.810 13.064 1.00 1.14 O ATOM 1194 CB HIS A 70 15.533 8.424 12.485 1.00 1.14 C ATOM 1195 CG HIS A 70 16.970 8.467 12.068 1.00 24.00 C ATOM 1196 ND1 HIS A 70 17.372 8.353 10.757 1.00 65.15 N ATOM 1197 CD2 HIS A 70 18.103 8.633 12.791 1.00 44.20 C ATOM 1198 CE1 HIS A 70 18.685 8.443 10.688 1.00 64.43 C ATOM 1199 NE2 HIS A 70 19.157 8.615 11.908 1.00 45.52 N ATOM 0 H HIS A 70 14.467 5.748 11.942 1.00 15.31 H new ATOM 0 HA HIS A 70 15.793 7.120 14.165 1.00 72.54 H new ATOM 0 HB2 HIS A 70 14.909 8.471 11.592 1.00 1.14 H new ATOM 0 HB3 HIS A 70 15.314 9.314 13.074 1.00 1.14 H new ATOM 0 HD2 HIS A 70 18.167 8.757 13.862 1.00 44.20 H new ATOM 0 HE1 HIS A 70 19.275 8.386 9.785 1.00 64.43 H new ATOM 0 HE2 HIS A 70 20.141 8.718 12.155 1.00 45.52 H new ATOM 1208 N HIS A 71 13.449 7.983 14.843 1.00 12.04 N ATOM 1209 CA HIS A 71 12.091 8.255 15.282 1.00 52.35 C ATOM 1210 C HIS A 71 11.733 9.697 14.968 1.00 53.42 C ATOM 1211 O HIS A 71 12.270 10.623 15.578 1.00 70.15 O ATOM 1212 CB HIS A 71 11.927 7.982 16.780 1.00 2.44 C ATOM 1213 CG HIS A 71 11.770 6.529 17.121 1.00 65.05 C ATOM 1214 ND1 HIS A 71 11.464 6.080 18.389 1.00 1.13 N ATOM 1215 CD2 HIS A 71 11.867 5.421 16.350 1.00 4.15 C ATOM 1216 CE1 HIS A 71 11.381 4.763 18.382 1.00 63.33 C ATOM 1217 NE2 HIS A 71 11.620 4.338 17.156 1.00 55.44 N ATOM 0 H HIS A 71 14.177 8.343 15.460 1.00 12.04 H new ATOM 0 HA HIS A 71 11.415 7.588 14.746 1.00 52.35 H new ATOM 0 HB2 HIS A 71 12.795 8.377 17.308 1.00 2.44 H new ATOM 0 HB3 HIS A 71 11.056 8.527 17.145 1.00 2.44 H new ATOM 0 HD2 HIS A 71 12.096 5.394 15.295 1.00 4.15 H new ATOM 0 HE1 HIS A 71 11.156 4.139 19.234 1.00 63.33 H new ATOM 0 HE2 HIS A 71 11.621 3.363 16.856 1.00 55.44 H new ATOM 1226 N HIS A 72 10.838 9.876 14.004 1.00 22.24 N ATOM 1227 CA HIS A 72 10.441 11.206 13.559 1.00 24.10 C ATOM 1228 C HIS A 72 9.794 11.975 14.704 1.00 74.34 C ATOM 1229 O HIS A 72 8.660 11.699 15.102 1.00 33.01 O ATOM 1230 CB HIS A 72 9.488 11.110 12.360 1.00 75.31 C ATOM 1231 CG HIS A 72 9.156 12.439 11.746 1.00 64.14 C ATOM 1232 ND1 HIS A 72 7.867 12.907 11.619 1.00 22.20 N ATOM 1233 CD2 HIS A 72 9.955 13.398 11.220 1.00 60.05 C ATOM 1234 CE1 HIS A 72 7.885 14.093 11.041 1.00 41.54 C ATOM 1235 NE2 HIS A 72 9.138 14.416 10.790 1.00 5.25 N ATOM 0 H HIS A 72 10.372 9.113 13.514 1.00 22.24 H new ATOM 0 HA HIS A 72 11.332 11.748 13.242 1.00 24.10 H new ATOM 0 HB2 HIS A 72 9.937 10.471 11.600 1.00 75.31 H new ATOM 0 HB3 HIS A 72 8.565 10.626 12.679 1.00 75.31 H new ATOM 0 HD2 HIS A 72 11.032 13.368 11.151 1.00 60.05 H new ATOM 0 HE1 HIS A 72 7.019 14.697 10.812 1.00 41.54 H new ATOM 0 HE2 HIS A 72 9.450 15.281 10.348 1.00 5.25 H new ATOM 1244 N HIS A 73 10.536 12.923 15.241 1.00 3.24 N ATOM 1245 CA HIS A 73 10.087 13.698 16.381 1.00 13.24 C ATOM 1246 C HIS A 73 10.290 15.181 16.114 1.00 61.02 C ATOM 1247 O HIS A 73 11.304 15.581 15.539 1.00 54.33 O ATOM 1248 CB HIS A 73 10.858 13.274 17.636 1.00 43.41 C ATOM 1249 CG HIS A 73 10.470 14.026 18.872 1.00 14.43 C ATOM 1250 ND1 HIS A 73 11.166 15.119 19.336 1.00 14.05 N ATOM 1251 CD2 HIS A 73 9.454 13.833 19.745 1.00 23.42 C ATOM 1252 CE1 HIS A 73 10.598 15.564 20.439 1.00 61.45 C ATOM 1253 NE2 HIS A 73 9.555 14.803 20.710 1.00 70.44 N ATOM 0 H HIS A 73 11.464 13.177 14.901 1.00 3.24 H new ATOM 0 HA HIS A 73 9.025 13.514 16.542 1.00 13.24 H new ATOM 0 HB2 HIS A 73 10.698 12.209 17.806 1.00 43.41 H new ATOM 0 HB3 HIS A 73 11.925 13.412 17.459 1.00 43.41 H new ATOM 0 HD2 HIS A 73 8.703 13.059 19.692 1.00 23.42 H new ATOM 0 HE1 HIS A 73 10.931 16.410 21.023 1.00 61.45 H new ATOM 0 HE2 HIS A 73 8.927 14.917 21.506 1.00 70.44 H new ATOM 1262 N HIS A 74 9.317 15.984 16.501 1.00 53.40 N ATOM 1263 CA HIS A 74 9.427 17.428 16.382 1.00 14.12 C ATOM 1264 C HIS A 74 10.003 18.005 17.667 1.00 12.42 C ATOM 1265 O HIS A 74 9.235 18.169 18.636 1.00 37.58 O ATOM 1266 CB HIS A 74 8.058 18.052 16.096 1.00 53.41 C ATOM 1267 CG HIS A 74 8.115 19.519 15.790 1.00 31.54 C ATOM 1268 ND1 HIS A 74 8.245 20.492 16.761 1.00 22.45 N ATOM 1269 CD2 HIS A 74 8.060 20.175 14.609 1.00 23.33 C ATOM 1270 CE1 HIS A 74 8.269 21.682 16.187 1.00 63.50 C ATOM 1271 NE2 HIS A 74 8.157 21.515 14.883 1.00 51.30 N ATOM 1272 OXT HIS A 74 11.214 18.282 17.706 1.00 37.58 O ATOM 0 H HIS A 74 8.437 15.660 16.902 1.00 53.40 H new ATOM 0 HA HIS A 74 10.092 17.661 15.550 1.00 14.12 H new ATOM 0 HB2 HIS A 74 7.601 17.532 15.254 1.00 53.41 H new ATOM 0 HB3 HIS A 74 7.410 17.895 16.958 1.00 53.41 H new ATOM 0 HD2 HIS A 74 7.959 19.727 13.632 1.00 23.33 H new ATOM 0 HE1 HIS A 74 8.364 22.629 16.698 1.00 63.50 H new ATOM 0 HE2 HIS A 74 8.145 22.263 14.190 1.00 51.30 H new TER 1281 HIS A 74