USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 955 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 77 CYS SG : rot 66:sc= 0.976 USER MOD Set 1.2: A 100 TYR OH : rot -57:sc= 0.21 USER MOD Set 2.1: A 39 CYS SG : rot 88:sc= -7.56! USER MOD Set 2.2: A 63 ASN : amide:sc= -8.07! C(o=-16!,f=-22!) USER MOD Set 3.1: A 20 TYR OH : rot -156:sc= 0.122! USER MOD Set 3.2: A 43 HIS : no HD1:sc= -2.35! C(o=-2.2!,f=-16!) USER MOD Set 4.1: A 22 HIS : no HE2:sc= -0.377! C(o=-0.38!,f=-7.4!) USER MOD Set 4.2: A 36 MET CE :methyl -172:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -114:sc= -0.443 (180deg=-1.68!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.0246 K(o=-0.025,f=-0.85) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 21:sc= 1.67 USER MOD Single : A 16 MET CE :methyl -131:sc= -3.35! (180deg=-10.4!) USER MOD Single : A 17 THR OG1 : rot 72:sc= 1.02 USER MOD Single : A 19 ASN : amide:sc= -0.0194 K(o=-0.019,f=-1.8!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 27 ASN : amide:sc= -1.4! C(o=-1.4!,f=-12!) USER MOD Single : A 29 SER OG : rot 89:sc= 0.816 USER MOD Single : A 30 SER OG : rot 180:sc= -0.106 USER MOD Single : A 31 SER OG : rot 94:sc= -0.0792 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -160:sc= -0.336 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 90:sc= -1.39 USER MOD Single : A 59 LYS NZ :NH3+ -163:sc= -0.0258 (180deg=-0.335) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 83:sc= 0.0154 USER MOD Single : A 69 SER OG : rot 61:sc= 0.0825 USER MOD Single : A 70 THR OG1 : rot 60:sc= 0.773 USER MOD Single : A 73 LYS NZ :NH3+ -163:sc= -0.0213 (180deg=-0.297) USER MOD Single : A 79 GLN : amide:sc= 0.153 K(o=0.15,f=-1.5!) USER MOD Single : A 86 MET CE :methyl -137:sc= 0 (180deg=-0.448) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -165:sc= -0.0112 (180deg=-0.314) USER MOD Single : A 96 CYS SG : rot -65:sc= -2.36! USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 93:sc= 0.804 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -37:sc= 0.659 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 151:sc= -0.117 (180deg=-0.694) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 167:sc= -0.925 (180deg=-1.31) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.373 24.693 10.464 1.00 0.00 N ATOM 2 CA GLY A 1 2.807 24.314 10.326 1.00 0.00 C ATOM 3 C GLY A 1 2.914 22.819 10.047 1.00 0.00 C ATOM 4 O GLY A 1 3.278 22.039 10.928 1.00 0.00 O ATOM 0 H1 GLY A 1 1.103 25.321 9.680 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.784 23.836 10.440 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.230 25.186 11.368 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.267 24.880 9.516 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.350 24.564 11.238 1.00 0.00 H new ATOM 10 N PRO A 2 2.612 22.408 8.841 1.00 0.00 N ATOM 11 CA PRO A 2 2.699 20.981 8.443 1.00 0.00 C ATOM 12 C PRO A 2 4.152 20.540 8.338 1.00 0.00 C ATOM 13 O PRO A 2 4.901 21.027 7.493 1.00 0.00 O ATOM 14 CB PRO A 2 1.972 20.898 7.080 1.00 0.00 C ATOM 15 CG PRO A 2 1.500 22.295 6.754 1.00 0.00 C ATOM 16 CD PRO A 2 2.179 23.261 7.737 1.00 0.00 C ATOM 0 HA PRO A 2 2.241 20.317 9.176 1.00 0.00 H new ATOM 0 HB2 PRO A 2 2.643 20.526 6.306 1.00 0.00 H new ATOM 0 HB3 PRO A 2 1.130 20.207 7.132 1.00 0.00 H new ATOM 0 HG2 PRO A 2 1.755 22.554 5.726 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.415 22.362 6.840 1.00 0.00 H new ATOM 0 HD2 PRO A 2 3.024 23.771 7.274 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.488 24.032 8.078 1.00 0.00 H new ATOM 24 N LEU A 3 4.536 19.628 9.209 1.00 0.00 N ATOM 25 CA LEU A 3 5.899 19.115 9.233 1.00 0.00 C ATOM 26 C LEU A 3 6.166 18.245 8.003 1.00 0.00 C ATOM 27 O LEU A 3 7.290 18.189 7.501 1.00 0.00 O ATOM 28 CB LEU A 3 6.119 18.310 10.519 1.00 0.00 C ATOM 29 CG LEU A 3 5.599 19.117 11.723 1.00 0.00 C ATOM 30 CD1 LEU A 3 5.931 18.389 13.037 1.00 0.00 C ATOM 31 CD2 LEU A 3 6.242 20.514 11.725 1.00 0.00 C ATOM 0 H LEU A 3 3.922 19.222 9.915 1.00 0.00 H new ATOM 0 HA LEU A 3 6.597 19.952 9.212 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.599 17.354 10.456 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.179 18.089 10.646 1.00 0.00 H new ATOM 0 HG LEU A 3 4.517 19.216 11.641 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.558 18.971 13.880 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.460 17.406 13.037 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.011 18.274 13.126 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.873 21.083 12.578 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.325 20.416 11.796 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.985 21.034 10.802 1.00 0.00 H new ATOM 43 N GLY A 4 5.126 17.554 7.535 1.00 0.00 N ATOM 44 CA GLY A 4 5.256 16.679 6.373 1.00 0.00 C ATOM 45 C GLY A 4 5.768 15.307 6.792 1.00 0.00 C ATOM 46 O GLY A 4 6.583 14.695 6.099 1.00 0.00 O ATOM 0 H GLY A 4 4.191 17.584 7.941 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.291 16.577 5.877 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.940 17.124 5.650 1.00 0.00 H new ATOM 50 N SER A 5 5.290 14.835 7.937 1.00 0.00 N ATOM 51 CA SER A 5 5.705 13.541 8.453 1.00 0.00 C ATOM 52 C SER A 5 5.170 12.412 7.586 1.00 0.00 C ATOM 53 O SER A 5 5.934 11.634 7.016 1.00 0.00 O ATOM 54 CB SER A 5 5.193 13.364 9.884 1.00 0.00 C ATOM 55 OG SER A 5 5.913 14.232 10.750 1.00 0.00 O ATOM 0 H SER A 5 4.617 15.329 8.523 1.00 0.00 H new ATOM 0 HA SER A 5 6.794 13.505 8.442 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.127 13.586 9.931 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.317 12.329 10.202 1.00 0.00 H new ATOM 0 HG SER A 5 5.587 14.123 11.668 1.00 0.00 H new ATOM 61 N LYS A 6 3.847 12.321 7.498 1.00 0.00 N ATOM 62 CA LYS A 6 3.205 11.273 6.708 1.00 0.00 C ATOM 63 C LYS A 6 2.811 11.802 5.334 1.00 0.00 C ATOM 64 O LYS A 6 2.230 11.078 4.524 1.00 0.00 O ATOM 65 CB LYS A 6 1.964 10.769 7.446 1.00 0.00 C ATOM 66 CG LYS A 6 2.388 10.157 8.786 1.00 0.00 C ATOM 67 CD LYS A 6 1.150 9.651 9.538 1.00 0.00 C ATOM 68 CE LYS A 6 1.572 8.999 10.861 1.00 0.00 C ATOM 69 NZ LYS A 6 1.866 10.060 11.865 1.00 0.00 N ATOM 0 H LYS A 6 3.199 12.958 7.962 1.00 0.00 H new ATOM 0 HA LYS A 6 3.909 10.452 6.572 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.267 11.590 7.612 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.444 10.026 6.842 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.084 9.335 8.618 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.912 10.900 9.387 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.468 10.479 9.732 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.610 8.931 8.924 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.779 8.347 11.227 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.452 8.375 10.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.152 9.619 12.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.636 10.665 11.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.015 10.638 12.019 1.00 0.00 H new ATOM 83 N ASN A 7 3.135 13.063 5.078 1.00 0.00 N ATOM 84 CA ASN A 7 2.820 13.675 3.796 1.00 0.00 C ATOM 85 C ASN A 7 3.692 13.069 2.702 1.00 0.00 C ATOM 86 O ASN A 7 3.239 12.848 1.579 1.00 0.00 O ATOM 87 CB ASN A 7 3.045 15.183 3.867 1.00 0.00 C ATOM 88 CG ASN A 7 2.450 15.861 2.640 1.00 0.00 C ATOM 89 OD1 ASN A 7 1.354 15.508 2.204 1.00 0.00 O ATOM 90 ND2 ASN A 7 3.112 16.816 2.048 1.00 0.00 N ATOM 0 H ASN A 7 3.613 13.678 5.737 1.00 0.00 H new ATOM 0 HA ASN A 7 1.773 13.485 3.561 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.587 15.584 4.771 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.112 15.397 3.928 1.00 0.00 H new ATOM 0 HD21 ASN A 7 2.722 17.271 1.223 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.020 17.108 2.410 1.00 0.00 H new ATOM 97 N MET A 8 4.948 12.811 3.045 1.00 0.00 N ATOM 98 CA MET A 8 5.891 12.238 2.095 1.00 0.00 C ATOM 99 C MET A 8 5.349 10.927 1.542 1.00 0.00 C ATOM 100 O MET A 8 5.329 10.716 0.331 1.00 0.00 O ATOM 101 CB MET A 8 7.228 11.985 2.808 1.00 0.00 C ATOM 102 CG MET A 8 8.234 11.331 1.853 1.00 0.00 C ATOM 103 SD MET A 8 8.503 12.397 0.416 1.00 0.00 S ATOM 104 CE MET A 8 9.414 11.197 -0.584 1.00 0.00 C ATOM 0 H MET A 8 5.336 12.989 3.972 1.00 0.00 H new ATOM 0 HA MET A 8 6.037 12.932 1.268 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.631 12.927 3.181 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.069 11.342 3.673 1.00 0.00 H new ATOM 0 HG2 MET A 8 9.178 11.157 2.369 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.863 10.358 1.531 1.00 0.00 H new ATOM 0 HE1 MET A 8 9.687 11.650 -1.537 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.317 10.893 -0.055 1.00 0.00 H new ATOM 0 HE3 MET A 8 8.788 10.323 -0.764 1.00 0.00 H new ATOM 114 N LEU A 9 4.897 10.060 2.439 1.00 0.00 N ATOM 115 CA LEU A 9 4.348 8.778 2.049 1.00 0.00 C ATOM 116 C LEU A 9 3.077 8.968 1.242 1.00 0.00 C ATOM 117 O LEU A 9 2.860 8.299 0.233 1.00 0.00 O ATOM 118 CB LEU A 9 4.024 7.973 3.301 1.00 0.00 C ATOM 119 CG LEU A 9 5.312 7.557 4.001 1.00 0.00 C ATOM 120 CD1 LEU A 9 4.967 6.929 5.354 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.099 6.541 3.142 1.00 0.00 C ATOM 0 H LEU A 9 4.902 10.227 3.445 1.00 0.00 H new ATOM 0 HA LEU A 9 5.081 8.251 1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.409 8.568 3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.443 7.090 3.035 1.00 0.00 H new ATOM 0 HG LEU A 9 5.935 8.439 4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.884 6.629 5.860 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.435 7.656 5.968 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.336 6.054 5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.015 6.258 3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.487 5.654 2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.351 6.993 2.183 1.00 0.00 H new ATOM 133 N LEU A 10 2.236 9.882 1.709 1.00 0.00 N ATOM 134 CA LEU A 10 0.973 10.146 1.035 1.00 0.00 C ATOM 135 C LEU A 10 1.247 10.650 -0.378 1.00 0.00 C ATOM 136 O LEU A 10 0.653 10.180 -1.349 1.00 0.00 O ATOM 137 CB LEU A 10 0.164 11.189 1.835 1.00 0.00 C ATOM 138 CG LEU A 10 -1.340 11.090 1.493 1.00 0.00 C ATOM 139 CD1 LEU A 10 -1.996 9.990 2.345 1.00 0.00 C ATOM 140 CD2 LEU A 10 -2.033 12.441 1.772 1.00 0.00 C ATOM 0 H LEU A 10 2.403 10.447 2.542 1.00 0.00 H new ATOM 0 HA LEU A 10 0.390 9.227 0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.311 11.030 2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.529 12.191 1.609 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.448 10.842 0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.056 9.924 2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.515 9.034 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.882 10.232 3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.093 12.363 1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.920 12.697 2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.576 13.218 1.159 1.00 0.00 H new ATOM 152 N GLU A 11 2.167 11.596 -0.481 1.00 0.00 N ATOM 153 CA GLU A 11 2.545 12.167 -1.769 1.00 0.00 C ATOM 154 C GLU A 11 3.069 11.076 -2.687 1.00 0.00 C ATOM 155 O GLU A 11 2.653 10.921 -3.837 1.00 0.00 O ATOM 156 CB GLU A 11 3.664 13.170 -1.521 1.00 0.00 C ATOM 157 CG GLU A 11 3.793 14.106 -2.715 1.00 0.00 C ATOM 158 CD GLU A 11 2.617 15.074 -2.748 1.00 0.00 C ATOM 159 OE1 GLU A 11 1.867 15.096 -1.786 1.00 0.00 O ATOM 160 OE2 GLU A 11 2.494 15.789 -3.728 1.00 0.00 O ATOM 0 H GLU A 11 2.670 11.988 0.315 1.00 0.00 H new ATOM 0 HA GLU A 11 1.681 12.642 -2.234 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.456 13.744 -0.618 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.605 12.645 -1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.729 14.661 -2.653 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.825 13.528 -3.639 1.00 0.00 H new ATOM 167 N TRP A 12 4.001 10.351 -2.119 1.00 0.00 N ATOM 168 CA TRP A 12 4.686 9.250 -2.761 1.00 0.00 C ATOM 169 C TRP A 12 3.697 8.181 -3.233 1.00 0.00 C ATOM 170 O TRP A 12 3.598 7.900 -4.427 1.00 0.00 O ATOM 171 CB TRP A 12 5.616 8.728 -1.677 1.00 0.00 C ATOM 172 CG TRP A 12 6.407 7.543 -2.076 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.495 7.549 -2.869 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.231 6.186 -1.619 1.00 0.00 C ATOM 175 NE1 TRP A 12 7.992 6.257 -2.945 1.00 0.00 N ATOM 176 CE2 TRP A 12 7.238 5.380 -2.186 1.00 0.00 C ATOM 177 CE3 TRP A 12 5.284 5.589 -0.778 1.00 0.00 C ATOM 178 CZ2 TRP A 12 7.311 4.013 -1.919 1.00 0.00 C ATOM 179 CZ3 TRP A 12 5.349 4.214 -0.504 1.00 0.00 C ATOM 180 CH2 TRP A 12 6.362 3.427 -1.072 1.00 0.00 C ATOM 0 H TRP A 12 4.316 10.515 -1.163 1.00 0.00 H new ATOM 0 HA TRP A 12 5.225 9.548 -3.661 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.299 9.526 -1.385 1.00 0.00 H new ATOM 0 HB3 TRP A 12 5.025 8.477 -0.797 1.00 0.00 H new ATOM 0 HD1 TRP A 12 7.911 8.415 -3.363 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.810 5.987 -3.491 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.501 6.189 -0.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 8.092 3.412 -2.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.616 3.760 0.147 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.410 2.370 -0.856 1.00 0.00 H new ATOM 191 N CYS A 13 2.958 7.599 -2.294 1.00 0.00 N ATOM 192 CA CYS A 13 1.977 6.569 -2.625 1.00 0.00 C ATOM 193 C CYS A 13 0.997 7.073 -3.693 1.00 0.00 C ATOM 194 O CYS A 13 0.682 6.367 -4.652 1.00 0.00 O ATOM 195 CB CYS A 13 1.205 6.201 -1.349 1.00 0.00 C ATOM 196 SG CYS A 13 2.131 4.951 -0.427 1.00 0.00 S ATOM 0 H CYS A 13 3.019 7.821 -1.300 1.00 0.00 H new ATOM 0 HA CYS A 13 2.493 5.695 -3.023 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.056 7.087 -0.732 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.216 5.821 -1.606 1.00 0.00 H new ATOM 0 HG CYS A 13 3.377 4.973 -0.798 1.00 0.00 H new ATOM 202 N ARG A 14 0.516 8.299 -3.501 1.00 0.00 N ATOM 203 CA ARG A 14 -0.433 8.905 -4.434 1.00 0.00 C ATOM 204 C ARG A 14 0.189 9.052 -5.813 1.00 0.00 C ATOM 205 O ARG A 14 -0.382 8.642 -6.823 1.00 0.00 O ATOM 206 CB ARG A 14 -0.824 10.294 -3.936 1.00 0.00 C ATOM 207 CG ARG A 14 -2.002 10.825 -4.758 1.00 0.00 C ATOM 208 CD ARG A 14 -2.349 12.243 -4.298 1.00 0.00 C ATOM 209 NE ARG A 14 -1.222 13.142 -4.534 1.00 0.00 N ATOM 210 CZ ARG A 14 -1.015 13.695 -5.726 1.00 0.00 C ATOM 211 NH1 ARG A 14 -0.472 12.995 -6.685 1.00 0.00 N ATOM 212 NH2 ARG A 14 -1.350 14.939 -5.939 1.00 0.00 N ATOM 0 H ARG A 14 0.767 8.892 -2.710 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.308 8.259 -4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.095 10.250 -2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.025 10.973 -4.019 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.748 10.827 -5.818 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.866 10.171 -4.639 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.228 12.602 -4.834 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.603 12.237 -3.238 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.580 13.350 -3.769 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.207 12.024 -6.520 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.313 13.419 -7.599 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.771 15.489 -5.190 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.190 15.361 -6.854 1.00 0.00 H new ATOM 226 N ALA A 15 1.365 9.645 -5.829 1.00 0.00 N ATOM 227 CA ALA A 15 2.090 9.872 -7.075 1.00 0.00 C ATOM 228 C ALA A 15 2.306 8.567 -7.836 1.00 0.00 C ATOM 229 O ALA A 15 2.527 8.574 -9.046 1.00 0.00 O ATOM 230 CB ALA A 15 3.443 10.513 -6.776 1.00 0.00 C ATOM 0 H ALA A 15 1.845 9.981 -4.994 1.00 0.00 H new ATOM 0 HA ALA A 15 1.491 10.538 -7.696 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.980 10.680 -7.709 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.290 11.466 -6.269 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.026 9.851 -6.136 1.00 0.00 H new ATOM 236 N MET A 16 2.254 7.448 -7.118 1.00 0.00 N ATOM 237 CA MET A 16 2.453 6.131 -7.728 1.00 0.00 C ATOM 238 C MET A 16 1.160 5.320 -7.692 1.00 0.00 C ATOM 239 O MET A 16 1.110 4.201 -8.205 1.00 0.00 O ATOM 240 CB MET A 16 3.581 5.402 -6.975 1.00 0.00 C ATOM 241 CG MET A 16 4.919 5.666 -7.683 1.00 0.00 C ATOM 242 SD MET A 16 6.291 5.197 -6.602 1.00 0.00 S ATOM 243 CE MET A 16 6.184 6.586 -5.443 1.00 0.00 C ATOM 0 H MET A 16 2.076 7.424 -6.114 1.00 0.00 H new ATOM 0 HA MET A 16 2.735 6.250 -8.774 1.00 0.00 H new ATOM 0 HB2 MET A 16 3.628 5.749 -5.943 1.00 0.00 H new ATOM 0 HB3 MET A 16 3.379 4.331 -6.942 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.967 5.099 -8.612 1.00 0.00 H new ATOM 0 HG3 MET A 16 4.998 6.720 -7.949 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.173 7.024 -5.307 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.505 7.340 -5.841 1.00 0.00 H new ATOM 0 HE3 MET A 16 5.810 6.231 -4.483 1.00 0.00 H new ATOM 253 N THR A 17 0.121 5.882 -7.070 1.00 0.00 N ATOM 254 CA THR A 17 -1.174 5.203 -6.963 1.00 0.00 C ATOM 255 C THR A 17 -2.248 5.950 -7.756 1.00 0.00 C ATOM 256 O THR A 17 -3.371 5.473 -7.900 1.00 0.00 O ATOM 257 CB THR A 17 -1.591 5.116 -5.496 1.00 0.00 C ATOM 258 OG1 THR A 17 -0.617 4.379 -4.766 1.00 0.00 O ATOM 259 CG2 THR A 17 -2.948 4.419 -5.388 1.00 0.00 C ATOM 0 H THR A 17 0.150 6.803 -6.633 1.00 0.00 H new ATOM 0 HA THR A 17 -1.071 4.200 -7.377 1.00 0.00 H new ATOM 0 HB THR A 17 -1.668 6.122 -5.083 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.199 4.914 -4.677 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.243 4.358 -4.341 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.694 4.988 -5.943 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.875 3.414 -5.803 1.00 0.00 H new ATOM 267 N ARG A 18 -1.900 7.119 -8.278 1.00 0.00 N ATOM 268 CA ARG A 18 -2.839 7.900 -9.064 1.00 0.00 C ATOM 269 C ARG A 18 -3.208 7.118 -10.326 1.00 0.00 C ATOM 270 O ARG A 18 -4.371 6.785 -10.561 1.00 0.00 O ATOM 271 CB ARG A 18 -2.165 9.210 -9.456 1.00 0.00 C ATOM 272 CG ARG A 18 -3.205 10.144 -10.053 1.00 0.00 C ATOM 273 CD ARG A 18 -2.530 11.417 -10.541 1.00 0.00 C ATOM 274 NE ARG A 18 -1.987 12.159 -9.409 1.00 0.00 N ATOM 275 CZ ARG A 18 -0.876 12.874 -9.526 1.00 0.00 C ATOM 276 NH1 ARG A 18 -0.939 14.104 -9.952 1.00 0.00 N ATOM 277 NH2 ARG A 18 0.273 12.339 -9.223 1.00 0.00 N ATOM 0 H ARG A 18 -0.979 7.543 -8.171 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.742 8.102 -8.488 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.702 9.671 -8.583 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.369 9.023 -10.177 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.717 9.652 -10.880 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.962 10.385 -9.307 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.732 11.170 -11.241 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.247 12.035 -11.081 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.470 12.128 -8.511 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.841 14.514 -10.194 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.086 14.656 -10.043 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.316 11.373 -8.897 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.129 12.886 -9.312 1.00 0.00 H new ATOM 291 N ASN A 19 -2.184 6.828 -11.118 1.00 0.00 N ATOM 292 CA ASN A 19 -2.351 6.081 -12.365 1.00 0.00 C ATOM 293 C ASN A 19 -3.265 4.884 -12.127 1.00 0.00 C ATOM 294 O ASN A 19 -3.853 4.336 -13.060 1.00 0.00 O ATOM 295 CB ASN A 19 -0.990 5.583 -12.861 1.00 0.00 C ATOM 296 CG ASN A 19 -0.222 6.725 -13.518 1.00 0.00 C ATOM 297 OD1 ASN A 19 -0.377 7.882 -13.129 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.598 6.465 -14.499 1.00 0.00 N ATOM 0 H ASN A 19 -1.221 7.100 -10.920 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.793 6.738 -13.115 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.415 5.180 -12.027 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.129 4.770 -13.574 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.114 7.222 -14.947 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.723 5.504 -14.818 1.00 0.00 H new ATOM 305 N TYR A 20 -3.372 4.495 -10.865 1.00 0.00 N ATOM 306 CA TYR A 20 -4.207 3.367 -10.475 1.00 0.00 C ATOM 307 C TYR A 20 -5.626 3.830 -10.145 1.00 0.00 C ATOM 308 O TYR A 20 -5.871 4.407 -9.088 1.00 0.00 O ATOM 309 CB TYR A 20 -3.580 2.690 -9.247 1.00 0.00 C ATOM 310 CG TYR A 20 -2.567 1.666 -9.685 1.00 0.00 C ATOM 311 CD1 TYR A 20 -1.364 2.081 -10.267 1.00 0.00 C ATOM 312 CD2 TYR A 20 -2.834 0.309 -9.515 1.00 0.00 C ATOM 313 CE1 TYR A 20 -0.427 1.130 -10.680 1.00 0.00 C ATOM 314 CE2 TYR A 20 -1.900 -0.643 -9.922 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.694 -0.234 -10.508 1.00 0.00 C ATOM 316 OH TYR A 20 0.237 -1.171 -10.906 1.00 0.00 O ATOM 0 H TYR A 20 -2.888 4.947 -10.089 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.266 2.661 -11.304 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.103 3.438 -8.613 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.356 2.213 -8.648 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.160 3.134 -10.397 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.765 -0.006 -9.068 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.502 1.446 -11.131 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.106 -1.694 -9.786 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.211 -2.026 -11.076 1.00 0.00 H new ATOM 326 N GLU A 21 -6.549 3.574 -11.065 1.00 0.00 N ATOM 327 CA GLU A 21 -7.942 3.970 -10.876 1.00 0.00 C ATOM 328 C GLU A 21 -8.613 3.097 -9.829 1.00 0.00 C ATOM 329 O GLU A 21 -7.990 2.193 -9.276 1.00 0.00 O ATOM 330 CB GLU A 21 -8.703 3.836 -12.191 1.00 0.00 C ATOM 331 CG GLU A 21 -8.063 4.739 -13.243 1.00 0.00 C ATOM 332 CD GLU A 21 -8.218 6.200 -12.839 1.00 0.00 C ATOM 333 OE1 GLU A 21 -9.089 6.480 -12.031 1.00 0.00 O ATOM 334 OE2 GLU A 21 -7.455 7.014 -13.330 1.00 0.00 O ATOM 0 H GLU A 21 -6.360 3.096 -11.946 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.957 5.007 -10.540 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.688 2.800 -12.528 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.748 4.110 -12.048 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.007 4.493 -13.351 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.531 4.570 -14.213 1.00 0.00 H new ATOM 341 N HIS A 22 -9.885 3.388 -9.555 1.00 0.00 N ATOM 342 CA HIS A 22 -10.637 2.629 -8.561 1.00 0.00 C ATOM 343 C HIS A 22 -9.988 2.829 -7.193 1.00 0.00 C ATOM 344 O HIS A 22 -10.485 2.363 -6.169 1.00 0.00 O ATOM 345 CB HIS A 22 -10.661 1.137 -8.958 1.00 0.00 C ATOM 346 CG HIS A 22 -11.671 0.377 -8.140 1.00 0.00 C ATOM 347 ND1 HIS A 22 -11.628 0.348 -6.760 1.00 0.00 N ATOM 348 CD2 HIS A 22 -12.734 -0.424 -8.498 1.00 0.00 C ATOM 349 CE1 HIS A 22 -12.633 -0.443 -6.337 1.00 0.00 C ATOM 350 NE2 HIS A 22 -13.339 -0.940 -7.355 1.00 0.00 N ATOM 0 H HIS A 22 -10.411 4.138 -10.004 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.668 2.980 -8.514 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -10.901 1.043 -10.017 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.671 0.703 -8.815 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -10.957 0.837 -6.168 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.050 -0.622 -9.512 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -12.843 -0.650 -5.298 1.00 0.00 H new ATOM 358 N VAL A 23 -8.861 3.545 -7.195 1.00 0.00 N ATOM 359 CA VAL A 23 -8.111 3.833 -5.979 1.00 0.00 C ATOM 360 C VAL A 23 -7.837 5.331 -5.879 1.00 0.00 C ATOM 361 O VAL A 23 -7.351 5.949 -6.826 1.00 0.00 O ATOM 362 CB VAL A 23 -6.787 3.067 -6.027 1.00 0.00 C ATOM 363 CG1 VAL A 23 -5.971 3.323 -4.762 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.073 1.569 -6.161 1.00 0.00 C ATOM 0 H VAL A 23 -8.447 3.939 -8.040 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.688 3.524 -5.108 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.211 3.412 -6.886 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.033 2.770 -4.816 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.759 4.389 -4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.537 2.994 -3.891 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.132 1.021 -6.195 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.658 1.232 -5.305 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.633 1.386 -7.078 1.00 0.00 H new ATOM 374 N ASP A 24 -8.149 5.905 -4.722 1.00 0.00 N ATOM 375 CA ASP A 24 -7.937 7.336 -4.485 1.00 0.00 C ATOM 376 C ASP A 24 -7.500 7.557 -3.042 1.00 0.00 C ATOM 377 O ASP A 24 -8.284 7.378 -2.109 1.00 0.00 O ATOM 378 CB ASP A 24 -9.221 8.117 -4.761 1.00 0.00 C ATOM 379 CG ASP A 24 -8.961 9.611 -4.609 1.00 0.00 C ATOM 380 OD1 ASP A 24 -7.875 9.960 -4.174 1.00 0.00 O ATOM 381 OD2 ASP A 24 -9.848 10.385 -4.929 1.00 0.00 O ATOM 0 H ASP A 24 -8.551 5.404 -3.930 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.158 7.693 -5.159 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.579 7.902 -5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.004 7.803 -4.071 1.00 0.00 H new ATOM 386 N ILE A 25 -6.235 7.913 -2.861 1.00 0.00 N ATOM 387 CA ILE A 25 -5.691 8.117 -1.522 1.00 0.00 C ATOM 388 C ILE A 25 -6.127 9.447 -0.901 1.00 0.00 C ATOM 389 O ILE A 25 -5.531 10.497 -1.145 1.00 0.00 O ATOM 390 CB ILE A 25 -4.163 8.005 -1.577 1.00 0.00 C ATOM 391 CG1 ILE A 25 -3.810 6.677 -2.260 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.584 8.023 -0.159 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.306 6.405 -2.164 1.00 0.00 C ATOM 0 H ILE A 25 -5.569 8.066 -3.618 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.093 7.339 -0.873 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.745 8.845 -2.132 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.363 5.863 -1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.113 6.708 -3.306 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.498 7.943 -0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.857 8.956 0.334 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.984 7.183 0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.075 5.459 -2.654 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.759 7.210 -2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.012 6.352 -1.116 1.00 0.00 H new ATOM 405 N GLN A 26 -7.169 9.362 -0.066 1.00 0.00 N ATOM 406 CA GLN A 26 -7.707 10.523 0.651 1.00 0.00 C ATOM 407 C GLN A 26 -7.372 10.383 2.132 1.00 0.00 C ATOM 408 O GLN A 26 -7.508 11.320 2.919 1.00 0.00 O ATOM 409 CB GLN A 26 -9.225 10.606 0.467 1.00 0.00 C ATOM 410 CG GLN A 26 -9.736 11.941 1.013 1.00 0.00 C ATOM 411 CD GLN A 26 -11.225 12.080 0.730 1.00 0.00 C ATOM 412 OE1 GLN A 26 -11.977 11.117 0.878 1.00 0.00 O ATOM 413 NE2 GLN A 26 -11.701 13.227 0.327 1.00 0.00 N ATOM 0 H GLN A 26 -7.661 8.490 0.131 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.262 11.435 0.253 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.479 10.512 -0.589 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.710 9.780 0.986 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.554 11.999 2.086 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.191 12.765 0.552 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.076 14.024 0.205 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.698 13.326 0.134 1.00 0.00 H new ATOM 422 N ASN A 27 -6.923 9.191 2.489 1.00 0.00 N ATOM 423 CA ASN A 27 -6.545 8.883 3.857 1.00 0.00 C ATOM 424 C ASN A 27 -5.855 7.534 3.869 1.00 0.00 C ATOM 425 O ASN A 27 -5.656 6.923 2.818 1.00 0.00 O ATOM 426 CB ASN A 27 -7.776 8.845 4.773 1.00 0.00 C ATOM 427 CG ASN A 27 -7.343 8.715 6.233 1.00 0.00 C ATOM 428 OD1 ASN A 27 -7.238 7.604 6.755 1.00 0.00 O ATOM 429 ND2 ASN A 27 -7.092 9.791 6.930 1.00 0.00 N ATOM 0 H ASN A 27 -6.811 8.412 1.840 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.875 9.658 4.229 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.365 9.752 4.640 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.416 8.006 4.500 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.809 9.711 7.907 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.179 10.711 6.497 1.00 0.00 H new ATOM 436 N PHE A 28 -5.472 7.070 5.045 1.00 0.00 N ATOM 437 CA PHE A 28 -4.788 5.788 5.150 1.00 0.00 C ATOM 438 C PHE A 28 -5.764 4.701 5.575 1.00 0.00 C ATOM 439 O PHE A 28 -5.434 3.516 5.579 1.00 0.00 O ATOM 440 CB PHE A 28 -3.666 5.900 6.179 1.00 0.00 C ATOM 441 CG PHE A 28 -2.542 6.732 5.608 1.00 0.00 C ATOM 442 CD1 PHE A 28 -1.712 6.197 4.619 1.00 0.00 C ATOM 443 CD2 PHE A 28 -2.335 8.041 6.062 1.00 0.00 C ATOM 444 CE1 PHE A 28 -0.675 6.968 4.081 1.00 0.00 C ATOM 445 CE2 PHE A 28 -1.298 8.812 5.525 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.469 8.275 4.534 1.00 0.00 C ATOM 0 H PHE A 28 -5.619 7.552 5.932 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.373 5.524 4.177 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.042 6.356 7.095 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.300 4.908 6.444 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.871 5.188 4.269 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.976 8.455 6.826 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.034 6.554 3.317 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.138 9.821 5.875 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.331 8.870 4.119 1.00 0.00 H new ATOM 456 N SER A 29 -6.963 5.125 5.962 1.00 0.00 N ATOM 457 CA SER A 29 -7.995 4.203 6.437 1.00 0.00 C ATOM 458 C SER A 29 -9.138 4.019 5.437 1.00 0.00 C ATOM 459 O SER A 29 -9.320 2.943 4.869 1.00 0.00 O ATOM 460 CB SER A 29 -8.567 4.753 7.742 1.00 0.00 C ATOM 461 OG SER A 29 -9.342 3.748 8.377 1.00 0.00 O ATOM 0 H SER A 29 -7.247 6.105 5.957 1.00 0.00 H new ATOM 0 HA SER A 29 -7.528 3.228 6.576 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.759 5.074 8.399 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.182 5.630 7.541 1.00 0.00 H new ATOM 0 HG SER A 29 -8.767 3.212 8.961 1.00 0.00 H new ATOM 467 N SER A 30 -9.923 5.070 5.263 1.00 0.00 N ATOM 468 CA SER A 30 -11.081 5.023 4.371 1.00 0.00 C ATOM 469 C SER A 30 -10.690 4.664 2.945 1.00 0.00 C ATOM 470 O SER A 30 -11.343 3.840 2.306 1.00 0.00 O ATOM 471 CB SER A 30 -11.776 6.382 4.362 1.00 0.00 C ATOM 472 OG SER A 30 -10.854 7.377 3.932 1.00 0.00 O ATOM 0 H SER A 30 -9.783 5.968 5.726 1.00 0.00 H new ATOM 0 HA SER A 30 -11.750 4.249 4.747 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.639 6.358 3.697 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.148 6.620 5.359 1.00 0.00 H new ATOM 0 HG SER A 30 -11.297 8.251 3.923 1.00 0.00 H new ATOM 478 N SER A 31 -9.643 5.291 2.443 1.00 0.00 N ATOM 479 CA SER A 31 -9.210 5.029 1.082 1.00 0.00 C ATOM 480 C SER A 31 -8.560 3.653 0.971 1.00 0.00 C ATOM 481 O SER A 31 -8.100 3.260 -0.099 1.00 0.00 O ATOM 482 CB SER A 31 -8.228 6.104 0.633 1.00 0.00 C ATOM 483 OG SER A 31 -7.488 5.609 -0.472 1.00 0.00 O ATOM 0 H SER A 31 -9.082 5.977 2.949 1.00 0.00 H new ATOM 0 HA SER A 31 -10.087 5.047 0.435 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.763 7.012 0.354 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.557 6.368 1.450 1.00 0.00 H new ATOM 0 HG SER A 31 -7.916 5.894 -1.306 1.00 0.00 H new ATOM 489 N TRP A 32 -8.518 2.927 2.089 1.00 0.00 N ATOM 490 CA TRP A 32 -7.911 1.598 2.119 1.00 0.00 C ATOM 491 C TRP A 32 -8.950 0.508 2.380 1.00 0.00 C ATOM 492 O TRP A 32 -8.642 -0.680 2.303 1.00 0.00 O ATOM 493 CB TRP A 32 -6.879 1.580 3.237 1.00 0.00 C ATOM 494 CG TRP A 32 -5.724 2.422 2.849 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.776 3.756 2.659 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.353 2.020 2.606 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.518 4.200 2.303 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.604 3.166 2.265 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.697 0.786 2.649 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.244 3.085 1.980 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.329 0.698 2.355 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.604 1.847 2.025 1.00 0.00 C ATOM 0 H TRP A 32 -8.897 3.237 2.984 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.454 1.396 1.150 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.321 1.952 4.162 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.551 0.558 3.429 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.655 4.374 2.767 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.292 5.172 2.094 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.248 -0.105 2.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.688 3.975 1.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.833 -0.261 2.384 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.549 1.776 1.805 1.00 0.00 H new ATOM 513 N SER A 33 -10.171 0.911 2.710 1.00 0.00 N ATOM 514 CA SER A 33 -11.224 -0.052 3.002 1.00 0.00 C ATOM 515 C SER A 33 -11.414 -1.044 1.857 1.00 0.00 C ATOM 516 O SER A 33 -11.929 -2.143 2.066 1.00 0.00 O ATOM 517 CB SER A 33 -12.542 0.683 3.249 1.00 0.00 C ATOM 518 OG SER A 33 -13.500 -0.230 3.768 1.00 0.00 O ATOM 0 H SER A 33 -10.454 1.888 2.782 1.00 0.00 H new ATOM 0 HA SER A 33 -10.927 -0.607 3.892 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.388 1.504 3.950 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.907 1.121 2.320 1.00 0.00 H new ATOM 0 HG SER A 33 -14.345 0.239 3.929 1.00 0.00 H new ATOM 524 N SER A 34 -11.012 -0.657 0.649 1.00 0.00 N ATOM 525 CA SER A 34 -11.167 -1.529 -0.510 1.00 0.00 C ATOM 526 C SER A 34 -10.102 -2.620 -0.548 1.00 0.00 C ATOM 527 O SER A 34 -10.277 -3.638 -1.219 1.00 0.00 O ATOM 528 CB SER A 34 -11.061 -0.700 -1.790 1.00 0.00 C ATOM 529 OG SER A 34 -9.788 -0.067 -1.827 1.00 0.00 O ATOM 0 H SER A 34 -10.581 0.245 0.449 1.00 0.00 H new ATOM 0 HA SER A 34 -12.145 -2.004 -0.434 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.190 -1.339 -2.664 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.854 0.047 -1.822 1.00 0.00 H new ATOM 0 HG SER A 34 -9.818 0.692 -2.446 1.00 0.00 H new ATOM 535 N GLY A 35 -8.995 -2.396 0.146 1.00 0.00 N ATOM 536 CA GLY A 35 -7.910 -3.368 0.141 1.00 0.00 C ATOM 537 C GLY A 35 -7.167 -3.266 -1.180 1.00 0.00 C ATOM 538 O GLY A 35 -6.102 -3.851 -1.364 1.00 0.00 O ATOM 0 H GLY A 35 -8.825 -1.564 0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.230 -3.179 0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.305 -4.375 0.275 1.00 0.00 H new ATOM 542 N MET A 36 -7.752 -2.489 -2.082 1.00 0.00 N ATOM 543 CA MET A 36 -7.182 -2.262 -3.396 1.00 0.00 C ATOM 544 C MET A 36 -5.860 -1.509 -3.281 1.00 0.00 C ATOM 545 O MET A 36 -4.979 -1.652 -4.127 1.00 0.00 O ATOM 546 CB MET A 36 -8.169 -1.451 -4.243 1.00 0.00 C ATOM 547 CG MET A 36 -9.414 -2.296 -4.537 1.00 0.00 C ATOM 548 SD MET A 36 -9.047 -3.496 -5.845 1.00 0.00 S ATOM 549 CE MET A 36 -10.603 -3.329 -6.752 1.00 0.00 C ATOM 0 H MET A 36 -8.633 -2.001 -1.920 1.00 0.00 H new ATOM 0 HA MET A 36 -6.993 -3.224 -3.872 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.452 -0.540 -3.716 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.696 -1.145 -5.176 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.734 -2.815 -3.634 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.238 -1.652 -4.843 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.654 -4.091 -7.530 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.440 -3.455 -6.065 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.654 -2.340 -7.208 1.00 0.00 H new ATOM 559 N ALA A 37 -5.737 -0.696 -2.237 1.00 0.00 N ATOM 560 CA ALA A 37 -4.523 0.089 -2.037 1.00 0.00 C ATOM 561 C ALA A 37 -3.294 -0.812 -1.880 1.00 0.00 C ATOM 562 O ALA A 37 -2.289 -0.619 -2.567 1.00 0.00 O ATOM 563 CB ALA A 37 -4.673 0.985 -0.808 1.00 0.00 C ATOM 0 H ALA A 37 -6.454 -0.564 -1.523 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.376 0.709 -2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.762 1.566 -0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.516 1.661 -0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.849 0.368 0.073 1.00 0.00 H new ATOM 569 N PHE A 38 -3.360 -1.782 -0.967 1.00 0.00 N ATOM 570 CA PHE A 38 -2.221 -2.677 -0.737 1.00 0.00 C ATOM 571 C PHE A 38 -1.815 -3.389 -2.028 1.00 0.00 C ATOM 572 O PHE A 38 -0.630 -3.497 -2.339 1.00 0.00 O ATOM 573 CB PHE A 38 -2.567 -3.722 0.348 1.00 0.00 C ATOM 574 CG PHE A 38 -2.354 -3.137 1.729 1.00 0.00 C ATOM 575 CD1 PHE A 38 -1.053 -2.900 2.200 1.00 0.00 C ATOM 576 CD2 PHE A 38 -3.453 -2.835 2.538 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.859 -2.360 3.479 1.00 0.00 C ATOM 578 CE2 PHE A 38 -3.257 -2.296 3.814 1.00 0.00 C ATOM 579 CZ PHE A 38 -1.964 -2.060 4.281 1.00 0.00 C ATOM 0 H PHE A 38 -4.175 -1.968 -0.382 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.382 -2.070 -0.396 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.603 -4.042 0.237 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.945 -4.608 0.221 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.202 -3.134 1.577 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.455 -3.018 2.178 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.141 -2.176 3.844 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.107 -2.063 4.438 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.816 -1.644 5.266 1.00 0.00 H new ATOM 589 N CYS A 39 -2.795 -3.877 -2.772 1.00 0.00 N ATOM 590 CA CYS A 39 -2.504 -4.575 -4.020 1.00 0.00 C ATOM 591 C CYS A 39 -2.013 -3.611 -5.098 1.00 0.00 C ATOM 592 O CYS A 39 -1.062 -3.906 -5.825 1.00 0.00 O ATOM 593 CB CYS A 39 -3.765 -5.297 -4.516 1.00 0.00 C ATOM 594 SG CYS A 39 -3.856 -6.946 -3.777 1.00 0.00 S ATOM 0 H CYS A 39 -3.786 -3.806 -2.541 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.713 -5.298 -3.823 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.652 -4.721 -4.253 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.746 -5.376 -5.603 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.464 -6.875 -2.630 1.00 0.00 H new ATOM 600 N ALA A 40 -2.695 -2.479 -5.210 1.00 0.00 N ATOM 601 CA ALA A 40 -2.370 -1.474 -6.219 1.00 0.00 C ATOM 602 C ALA A 40 -0.967 -0.894 -6.036 1.00 0.00 C ATOM 603 O ALA A 40 -0.227 -0.726 -7.003 1.00 0.00 O ATOM 604 CB ALA A 40 -3.397 -0.346 -6.140 1.00 0.00 C ATOM 0 H ALA A 40 -3.482 -2.231 -4.611 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.396 -1.960 -7.194 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.165 0.411 -6.889 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.393 -0.747 -6.326 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.367 0.104 -5.148 1.00 0.00 H new ATOM 610 N LEU A 41 -0.624 -0.570 -4.800 1.00 0.00 N ATOM 611 CA LEU A 41 0.679 0.019 -4.502 1.00 0.00 C ATOM 612 C LEU A 41 1.807 -0.953 -4.869 1.00 0.00 C ATOM 613 O LEU A 41 2.818 -0.559 -5.446 1.00 0.00 O ATOM 614 CB LEU A 41 0.723 0.370 -3.008 1.00 0.00 C ATOM 615 CG LEU A 41 2.041 1.060 -2.636 1.00 0.00 C ATOM 616 CD1 LEU A 41 2.199 2.375 -3.419 1.00 0.00 C ATOM 617 CD2 LEU A 41 2.027 1.357 -1.131 1.00 0.00 C ATOM 0 H LEU A 41 -1.225 -0.703 -3.987 1.00 0.00 H new ATOM 0 HA LEU A 41 0.822 0.923 -5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.114 1.023 -2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.605 -0.537 -2.416 1.00 0.00 H new ATOM 0 HG LEU A 41 2.877 0.407 -2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.139 2.852 -3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.199 2.164 -4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.370 3.042 -3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.958 1.848 -0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.186 2.010 -0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.927 0.424 -0.577 1.00 0.00 H new ATOM 629 N ILE A 42 1.615 -2.221 -4.533 1.00 0.00 N ATOM 630 CA ILE A 42 2.605 -3.258 -4.827 1.00 0.00 C ATOM 631 C ILE A 42 2.724 -3.505 -6.337 1.00 0.00 C ATOM 632 O ILE A 42 3.825 -3.685 -6.859 1.00 0.00 O ATOM 633 CB ILE A 42 2.200 -4.558 -4.096 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.581 -4.461 -2.607 1.00 0.00 C ATOM 635 CG2 ILE A 42 2.872 -5.790 -4.723 1.00 0.00 C ATOM 636 CD1 ILE A 42 4.110 -4.310 -2.420 1.00 0.00 C ATOM 0 H ILE A 42 0.781 -2.561 -4.055 1.00 0.00 H new ATOM 0 HA ILE A 42 3.582 -2.925 -4.475 1.00 0.00 H new ATOM 0 HB ILE A 42 1.121 -4.675 -4.194 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.073 -3.609 -2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.236 -5.353 -2.083 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.565 -6.686 -4.184 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.574 -5.875 -5.768 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.955 -5.684 -4.663 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.342 -4.244 -1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.616 -5.175 -2.849 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.450 -3.404 -2.922 1.00 0.00 H new ATOM 648 N HIS A 43 1.585 -3.554 -7.015 1.00 0.00 N ATOM 649 CA HIS A 43 1.560 -3.817 -8.453 1.00 0.00 C ATOM 650 C HIS A 43 2.394 -2.791 -9.219 1.00 0.00 C ATOM 651 O HIS A 43 2.703 -2.977 -10.397 1.00 0.00 O ATOM 652 CB HIS A 43 0.111 -3.765 -8.942 1.00 0.00 C ATOM 653 CG HIS A 43 0.026 -4.254 -10.362 1.00 0.00 C ATOM 654 ND1 HIS A 43 -0.343 -3.425 -11.409 1.00 0.00 N ATOM 655 CD2 HIS A 43 0.243 -5.485 -10.922 1.00 0.00 C ATOM 656 CE1 HIS A 43 -0.338 -4.163 -12.534 1.00 0.00 C ATOM 657 NE2 HIS A 43 0.012 -5.429 -12.293 1.00 0.00 N ATOM 0 H HIS A 43 0.666 -3.416 -6.595 1.00 0.00 H new ATOM 0 HA HIS A 43 1.988 -4.803 -8.634 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.520 -4.379 -8.299 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.266 -2.744 -8.878 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.548 -6.368 -10.380 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.587 -3.779 -13.512 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.093 -6.190 -12.968 1.00 0.00 H new ATOM 665 N LYS A 44 2.749 -1.711 -8.537 1.00 0.00 N ATOM 666 CA LYS A 44 3.542 -0.646 -9.149 1.00 0.00 C ATOM 667 C LYS A 44 5.005 -1.052 -9.315 1.00 0.00 C ATOM 668 O LYS A 44 5.650 -0.702 -10.306 1.00 0.00 O ATOM 669 CB LYS A 44 3.464 0.631 -8.274 1.00 0.00 C ATOM 670 CG LYS A 44 3.132 1.858 -9.128 1.00 0.00 C ATOM 671 CD LYS A 44 4.306 2.182 -10.057 1.00 0.00 C ATOM 672 CE LYS A 44 3.934 3.362 -10.952 1.00 0.00 C ATOM 673 NZ LYS A 44 5.087 3.694 -11.833 1.00 0.00 N ATOM 0 H LYS A 44 2.503 -1.546 -7.561 1.00 0.00 H new ATOM 0 HA LYS A 44 3.129 -0.453 -10.139 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.704 0.503 -7.503 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.414 0.785 -7.762 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.233 1.670 -9.716 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.920 2.712 -8.485 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.193 2.422 -9.470 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.552 1.313 -10.666 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.060 3.115 -11.555 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.667 4.225 -10.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.837 4.498 -12.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.909 3.946 -11.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.322 2.870 -12.423 1.00 0.00 H new ATOM 687 N PHE A 45 5.532 -1.751 -8.318 1.00 0.00 N ATOM 688 CA PHE A 45 6.934 -2.157 -8.329 1.00 0.00 C ATOM 689 C PHE A 45 7.104 -3.587 -8.837 1.00 0.00 C ATOM 690 O PHE A 45 8.200 -3.984 -9.229 1.00 0.00 O ATOM 691 CB PHE A 45 7.492 -2.054 -6.904 1.00 0.00 C ATOM 692 CG PHE A 45 6.918 -0.832 -6.209 1.00 0.00 C ATOM 693 CD1 PHE A 45 7.134 0.452 -6.733 1.00 0.00 C ATOM 694 CD2 PHE A 45 6.172 -0.987 -5.031 1.00 0.00 C ATOM 695 CE1 PHE A 45 6.606 1.573 -6.077 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.646 0.131 -4.381 1.00 0.00 C ATOM 697 CZ PHE A 45 5.862 1.412 -4.902 1.00 0.00 C ATOM 0 H PHE A 45 5.012 -2.049 -7.492 1.00 0.00 H new ATOM 0 HA PHE A 45 7.477 -1.496 -9.004 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.243 -2.953 -6.341 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.580 -1.988 -6.934 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.706 0.576 -7.640 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.004 -1.974 -4.626 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.773 2.562 -6.478 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.072 0.007 -3.475 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.455 2.276 -4.398 1.00 0.00 H new ATOM 707 N PHE A 46 6.024 -4.364 -8.807 1.00 0.00 N ATOM 708 CA PHE A 46 6.077 -5.762 -9.239 1.00 0.00 C ATOM 709 C PHE A 46 5.012 -6.062 -10.307 1.00 0.00 C ATOM 710 O PHE A 46 3.854 -6.279 -9.968 1.00 0.00 O ATOM 711 CB PHE A 46 5.848 -6.627 -8.005 1.00 0.00 C ATOM 712 CG PHE A 46 6.957 -6.358 -7.025 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.188 -7.001 -7.175 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.764 -5.452 -5.976 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.225 -6.745 -6.274 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.801 -5.195 -5.074 1.00 0.00 C ATOM 717 CZ PHE A 46 9.030 -5.842 -5.222 1.00 0.00 C ATOM 0 H PHE A 46 5.105 -4.053 -8.490 1.00 0.00 H new ATOM 0 HA PHE A 46 7.046 -5.974 -9.691 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.881 -6.399 -7.556 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.831 -7.682 -8.279 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.338 -7.696 -7.988 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.814 -4.951 -5.863 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.176 -7.243 -6.389 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.652 -4.497 -4.264 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.831 -5.646 -4.524 1.00 0.00 H new ATOM 727 N PRO A 47 5.359 -6.081 -11.590 1.00 0.00 N ATOM 728 CA PRO A 47 4.370 -6.378 -12.673 1.00 0.00 C ATOM 729 C PRO A 47 4.025 -7.866 -12.733 1.00 0.00 C ATOM 730 O PRO A 47 2.877 -8.243 -12.970 1.00 0.00 O ATOM 731 CB PRO A 47 5.063 -5.918 -13.979 1.00 0.00 C ATOM 732 CG PRO A 47 6.411 -5.374 -13.582 1.00 0.00 C ATOM 733 CD PRO A 47 6.696 -5.843 -12.154 1.00 0.00 C ATOM 0 HA PRO A 47 3.423 -5.866 -12.503 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.171 -6.750 -14.675 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.471 -5.155 -14.484 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.184 -5.730 -14.263 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.416 -4.285 -13.636 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.302 -6.749 -12.144 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.241 -5.089 -11.586 1.00 0.00 H new ATOM 741 N GLU A 48 5.033 -8.701 -12.507 1.00 0.00 N ATOM 742 CA GLU A 48 4.835 -10.140 -12.526 1.00 0.00 C ATOM 743 C GLU A 48 3.942 -10.525 -11.356 1.00 0.00 C ATOM 744 O GLU A 48 3.518 -11.675 -11.220 1.00 0.00 O ATOM 745 CB GLU A 48 6.192 -10.854 -12.425 1.00 0.00 C ATOM 746 CG GLU A 48 7.001 -10.605 -13.704 1.00 0.00 C ATOM 747 CD GLU A 48 8.378 -11.255 -13.596 1.00 0.00 C ATOM 748 OE1 GLU A 48 8.669 -11.809 -12.549 1.00 0.00 O ATOM 749 OE2 GLU A 48 9.122 -11.186 -14.561 1.00 0.00 O ATOM 0 H GLU A 48 5.989 -8.406 -12.310 1.00 0.00 H new ATOM 0 HA GLU A 48 4.359 -10.440 -13.459 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.742 -10.489 -11.558 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.042 -11.924 -12.280 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.467 -11.009 -14.564 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.109 -9.533 -13.871 1.00 0.00 H new ATOM 756 N ALA A 49 3.676 -9.531 -10.515 1.00 0.00 N ATOM 757 CA ALA A 49 2.845 -9.713 -9.326 1.00 0.00 C ATOM 758 C ALA A 49 1.512 -10.348 -9.659 1.00 0.00 C ATOM 759 O ALA A 49 1.291 -11.535 -9.430 1.00 0.00 O ATOM 760 CB ALA A 49 2.572 -8.355 -8.685 1.00 0.00 C ATOM 0 H ALA A 49 4.027 -8.581 -10.635 1.00 0.00 H new ATOM 0 HA ALA A 49 3.388 -10.371 -8.648 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.952 -8.489 -7.798 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.516 -7.890 -8.401 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.052 -7.714 -9.397 1.00 0.00 H new ATOM 766 N PHE A 50 0.629 -9.536 -10.217 1.00 0.00 N ATOM 767 CA PHE A 50 -0.690 -9.984 -10.601 1.00 0.00 C ATOM 768 C PHE A 50 -1.359 -8.925 -11.466 1.00 0.00 C ATOM 769 O PHE A 50 -0.961 -7.762 -11.462 1.00 0.00 O ATOM 770 CB PHE A 50 -1.545 -10.258 -9.360 1.00 0.00 C ATOM 771 CG PHE A 50 -1.311 -9.175 -8.327 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.952 -7.935 -8.448 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.455 -9.414 -7.243 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.735 -6.936 -7.490 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.239 -8.415 -6.284 1.00 0.00 C ATOM 776 CZ PHE A 50 -0.880 -7.177 -6.406 1.00 0.00 C ATOM 0 H PHE A 50 0.810 -8.552 -10.414 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.595 -10.909 -11.169 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.600 -10.291 -9.634 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.294 -11.233 -8.942 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.614 -7.749 -9.281 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.039 -10.370 -7.147 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.227 -5.979 -7.587 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.422 -8.601 -5.451 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.716 -6.408 -5.666 1.00 0.00 H new ATOM 786 N ASP A 51 -2.393 -9.329 -12.185 1.00 0.00 N ATOM 787 CA ASP A 51 -3.131 -8.399 -13.030 1.00 0.00 C ATOM 788 C ASP A 51 -4.134 -7.632 -12.172 1.00 0.00 C ATOM 789 O ASP A 51 -5.268 -8.070 -11.982 1.00 0.00 O ATOM 790 CB ASP A 51 -3.872 -9.162 -14.131 1.00 0.00 C ATOM 791 CG ASP A 51 -2.881 -9.725 -15.144 1.00 0.00 C ATOM 792 OD1 ASP A 51 -1.750 -9.270 -15.154 1.00 0.00 O ATOM 793 OD2 ASP A 51 -3.269 -10.606 -15.893 1.00 0.00 O ATOM 0 H ASP A 51 -2.740 -10.288 -12.202 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.434 -7.702 -13.495 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.454 -9.973 -13.692 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.577 -8.498 -14.632 1.00 0.00 H new ATOM 798 N TYR A 52 -3.700 -6.493 -11.635 1.00 0.00 N ATOM 799 CA TYR A 52 -4.555 -5.678 -10.779 1.00 0.00 C ATOM 800 C TYR A 52 -5.811 -5.255 -11.509 1.00 0.00 C ATOM 801 O TYR A 52 -6.815 -4.908 -10.888 1.00 0.00 O ATOM 802 CB TYR A 52 -3.795 -4.426 -10.340 1.00 0.00 C ATOM 803 CG TYR A 52 -4.715 -3.499 -9.572 1.00 0.00 C ATOM 804 CD1 TYR A 52 -5.500 -2.564 -10.260 1.00 0.00 C ATOM 805 CD2 TYR A 52 -4.791 -3.579 -8.176 1.00 0.00 C ATOM 806 CE1 TYR A 52 -6.357 -1.711 -9.554 1.00 0.00 C ATOM 807 CE2 TYR A 52 -5.649 -2.728 -7.471 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.432 -1.795 -8.159 1.00 0.00 C ATOM 809 OH TYR A 52 -7.276 -0.953 -7.463 1.00 0.00 O ATOM 0 H TYR A 52 -2.763 -6.116 -11.778 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.836 -6.276 -9.912 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.946 -4.707 -9.716 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.393 -3.911 -11.212 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.444 -2.501 -11.337 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.187 -4.298 -7.643 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.959 -0.989 -10.085 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.707 -2.791 -6.394 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.156 -1.374 -7.373 1.00 0.00 H new ATOM 819 N ALA A 53 -5.751 -5.286 -12.824 1.00 0.00 N ATOM 820 CA ALA A 53 -6.894 -4.902 -13.635 1.00 0.00 C ATOM 821 C ALA A 53 -7.897 -6.046 -13.717 1.00 0.00 C ATOM 822 O ALA A 53 -9.029 -5.858 -14.163 1.00 0.00 O ATOM 823 CB ALA A 53 -6.425 -4.526 -15.039 1.00 0.00 C ATOM 0 H ALA A 53 -4.928 -5.571 -13.355 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.380 -4.043 -13.172 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.284 -4.239 -15.645 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.728 -3.690 -14.978 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.927 -5.381 -15.497 1.00 0.00 H new ATOM 829 N GLU A 54 -7.468 -7.238 -13.308 1.00 0.00 N ATOM 830 CA GLU A 54 -8.325 -8.416 -13.358 1.00 0.00 C ATOM 831 C GLU A 54 -9.043 -8.614 -12.033 1.00 0.00 C ATOM 832 O GLU A 54 -10.004 -9.376 -11.945 1.00 0.00 O ATOM 833 CB GLU A 54 -7.449 -9.643 -13.633 1.00 0.00 C ATOM 834 CG GLU A 54 -8.287 -10.768 -14.248 1.00 0.00 C ATOM 835 CD GLU A 54 -7.403 -11.980 -14.524 1.00 0.00 C ATOM 836 OE1 GLU A 54 -6.193 -11.822 -14.505 1.00 0.00 O ATOM 837 OE2 GLU A 54 -7.949 -13.048 -14.745 1.00 0.00 O ATOM 0 H GLU A 54 -6.533 -7.412 -12.939 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.068 -8.283 -14.144 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.637 -9.374 -14.309 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.991 -9.987 -12.705 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.096 -11.043 -13.571 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.749 -10.425 -15.174 1.00 0.00 H new ATOM 844 N LEU A 55 -8.563 -7.933 -10.999 1.00 0.00 N ATOM 845 CA LEU A 55 -9.155 -8.055 -9.675 1.00 0.00 C ATOM 846 C LEU A 55 -10.459 -7.277 -9.585 1.00 0.00 C ATOM 847 O LEU A 55 -10.651 -6.276 -10.280 1.00 0.00 O ATOM 848 CB LEU A 55 -8.158 -7.534 -8.646 1.00 0.00 C ATOM 849 CG LEU A 55 -6.925 -8.460 -8.612 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.793 -7.805 -7.793 1.00 0.00 C ATOM 851 CD2 LEU A 55 -7.297 -9.828 -7.993 1.00 0.00 C ATOM 0 H LEU A 55 -7.770 -7.294 -11.052 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.382 -9.103 -9.479 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.856 -6.517 -8.898 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.623 -7.493 -7.661 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.581 -8.618 -9.634 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.927 -8.467 -7.775 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.515 -6.856 -8.251 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.136 -7.629 -6.774 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.417 -10.471 -7.976 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.659 -9.681 -6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.078 -10.298 -8.591 1.00 0.00 H new ATOM 863 N ASP A 56 -11.360 -7.757 -8.729 1.00 0.00 N ATOM 864 CA ASP A 56 -12.666 -7.124 -8.543 1.00 0.00 C ATOM 865 C ASP A 56 -12.862 -6.736 -7.067 1.00 0.00 C ATOM 866 O ASP A 56 -12.078 -7.145 -6.210 1.00 0.00 O ATOM 867 CB ASP A 56 -13.763 -8.121 -8.988 1.00 0.00 C ATOM 868 CG ASP A 56 -14.311 -7.754 -10.365 1.00 0.00 C ATOM 869 OD1 ASP A 56 -13.520 -7.369 -11.210 1.00 0.00 O ATOM 870 OD2 ASP A 56 -15.510 -7.859 -10.546 1.00 0.00 O ATOM 0 H ASP A 56 -11.209 -8.584 -8.152 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.728 -6.216 -9.143 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.353 -9.131 -9.013 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.574 -8.124 -8.259 1.00 0.00 H new ATOM 875 N PRO A 57 -13.893 -5.978 -6.750 1.00 0.00 N ATOM 876 CA PRO A 57 -14.176 -5.566 -5.346 1.00 0.00 C ATOM 877 C PRO A 57 -14.755 -6.736 -4.562 1.00 0.00 C ATOM 878 O PRO A 57 -14.888 -6.687 -3.344 1.00 0.00 O ATOM 879 CB PRO A 57 -15.194 -4.406 -5.468 1.00 0.00 C ATOM 880 CG PRO A 57 -15.469 -4.225 -6.939 1.00 0.00 C ATOM 881 CD PRO A 57 -14.911 -5.448 -7.670 1.00 0.00 C ATOM 0 HA PRO A 57 -13.279 -5.253 -4.811 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -16.112 -4.638 -4.928 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -14.792 -3.491 -5.034 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -16.540 -4.127 -7.119 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -15.000 -3.313 -7.307 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -15.690 -6.184 -7.870 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -14.477 -5.175 -8.632 1.00 0.00 H new ATOM 889 N ALA A 58 -15.121 -7.776 -5.294 1.00 0.00 N ATOM 890 CA ALA A 58 -15.702 -8.971 -4.696 1.00 0.00 C ATOM 891 C ALA A 58 -14.597 -9.903 -4.221 1.00 0.00 C ATOM 892 O ALA A 58 -14.855 -10.914 -3.566 1.00 0.00 O ATOM 893 CB ALA A 58 -16.564 -9.690 -5.733 1.00 0.00 C ATOM 0 H ALA A 58 -15.026 -7.818 -6.309 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.317 -8.683 -3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.999 -10.584 -5.287 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -17.361 -9.026 -6.067 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.947 -9.973 -6.586 1.00 0.00 H new ATOM 899 N LYS A 59 -13.364 -9.558 -4.584 1.00 0.00 N ATOM 900 CA LYS A 59 -12.194 -10.361 -4.231 1.00 0.00 C ATOM 901 C LYS A 59 -11.296 -9.625 -3.234 1.00 0.00 C ATOM 902 O LYS A 59 -10.088 -9.525 -3.437 1.00 0.00 O ATOM 903 CB LYS A 59 -11.395 -10.673 -5.504 1.00 0.00 C ATOM 904 CG LYS A 59 -12.183 -11.649 -6.391 1.00 0.00 C ATOM 905 CD LYS A 59 -11.369 -11.992 -7.648 1.00 0.00 C ATOM 906 CE LYS A 59 -12.197 -12.900 -8.562 1.00 0.00 C ATOM 907 NZ LYS A 59 -12.429 -14.203 -7.880 1.00 0.00 N ATOM 0 H LYS A 59 -13.148 -8.722 -5.126 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.537 -11.284 -3.763 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.193 -9.752 -6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.430 -11.106 -5.241 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.408 -12.559 -5.834 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.137 -11.205 -6.676 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.095 -11.079 -8.177 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.440 -12.490 -7.368 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.149 -12.426 -8.799 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.676 -13.058 -9.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.728 -14.912 -8.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.549 -14.517 -7.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.172 -14.091 -7.161 1.00 0.00 H new ATOM 921 N ARG A 60 -11.891 -9.111 -2.160 1.00 0.00 N ATOM 922 CA ARG A 60 -11.123 -8.386 -1.143 1.00 0.00 C ATOM 923 C ARG A 60 -10.208 -9.310 -0.335 1.00 0.00 C ATOM 924 O ARG A 60 -9.017 -9.040 -0.191 1.00 0.00 O ATOM 925 CB ARG A 60 -12.079 -7.654 -0.198 1.00 0.00 C ATOM 926 CG ARG A 60 -12.690 -6.458 -0.927 1.00 0.00 C ATOM 927 CD ARG A 60 -13.623 -5.699 0.015 1.00 0.00 C ATOM 928 NE ARG A 60 -14.757 -6.543 0.388 1.00 0.00 N ATOM 929 CZ ARG A 60 -15.988 -6.287 -0.045 1.00 0.00 C ATOM 930 NH1 ARG A 60 -16.210 -6.142 -1.323 1.00 0.00 N ATOM 931 NH2 ARG A 60 -16.965 -6.172 0.807 1.00 0.00 N ATOM 0 H ARG A 60 -12.891 -9.180 -1.970 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.487 -7.670 -1.664 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.865 -8.330 0.139 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.545 -7.319 0.691 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.901 -5.796 -1.283 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.241 -6.798 -1.804 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.079 -5.392 0.908 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.980 -4.790 -0.469 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.600 -7.348 0.995 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.440 -6.225 -1.987 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -17.153 -5.946 -1.658 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -16.786 -6.278 1.806 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -17.910 -5.976 0.476 1.00 0.00 H new ATOM 945 N ARG A 61 -10.762 -10.391 0.203 1.00 0.00 N ATOM 946 CA ARG A 61 -9.966 -11.314 1.011 1.00 0.00 C ATOM 947 C ARG A 61 -8.723 -11.741 0.250 1.00 0.00 C ATOM 948 O ARG A 61 -7.618 -11.770 0.793 1.00 0.00 O ATOM 949 CB ARG A 61 -10.786 -12.556 1.331 1.00 0.00 C ATOM 950 CG ARG A 61 -11.912 -12.198 2.299 1.00 0.00 C ATOM 951 CD ARG A 61 -12.809 -13.419 2.505 1.00 0.00 C ATOM 952 NE ARG A 61 -12.045 -14.509 3.106 1.00 0.00 N ATOM 953 CZ ARG A 61 -11.913 -14.615 4.425 1.00 0.00 C ATOM 954 NH1 ARG A 61 -12.964 -14.817 5.171 1.00 0.00 N ATOM 955 NH2 ARG A 61 -10.732 -14.515 4.974 1.00 0.00 N ATOM 0 H ARG A 61 -11.743 -10.649 0.098 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.677 -10.806 1.931 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.202 -12.975 0.414 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.147 -13.322 1.770 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.497 -11.872 3.253 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.496 -11.366 1.904 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.650 -13.157 3.147 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.225 -13.740 1.550 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.604 -15.203 2.502 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.886 -14.894 4.743 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.863 -14.898 6.183 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.910 -14.356 4.391 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.631 -14.596 5.986 1.00 0.00 H new ATOM 969 N HIS A 62 -8.923 -12.072 -1.013 1.00 0.00 N ATOM 970 CA HIS A 62 -7.838 -12.501 -1.870 1.00 0.00 C ATOM 971 C HIS A 62 -6.859 -11.357 -2.123 1.00 0.00 C ATOM 972 O HIS A 62 -5.654 -11.570 -2.215 1.00 0.00 O ATOM 973 CB HIS A 62 -8.414 -12.985 -3.198 1.00 0.00 C ATOM 974 CG HIS A 62 -9.124 -14.300 -2.996 1.00 0.00 C ATOM 975 ND1 HIS A 62 -8.471 -15.518 -3.101 1.00 0.00 N ATOM 976 CD2 HIS A 62 -10.430 -14.601 -2.696 1.00 0.00 C ATOM 977 CE1 HIS A 62 -9.377 -16.486 -2.873 1.00 0.00 C ATOM 978 NE2 HIS A 62 -10.588 -15.982 -2.619 1.00 0.00 N ATOM 0 H HIS A 62 -9.835 -12.051 -1.469 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.299 -13.310 -1.377 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.107 -12.244 -3.596 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.616 -13.101 -3.931 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -11.216 -13.876 -2.543 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -9.153 -17.542 -2.893 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -11.444 -16.498 -2.413 1.00 0.00 H new ATOM 986 N ASN A 63 -7.392 -10.146 -2.237 1.00 0.00 N ATOM 987 CA ASN A 63 -6.564 -8.965 -2.488 1.00 0.00 C ATOM 988 C ASN A 63 -5.595 -8.736 -1.344 1.00 0.00 C ATOM 989 O ASN A 63 -4.423 -8.430 -1.558 1.00 0.00 O ATOM 990 CB ASN A 63 -7.465 -7.734 -2.635 1.00 0.00 C ATOM 991 CG ASN A 63 -6.738 -6.602 -3.357 1.00 0.00 C ATOM 992 OD1 ASN A 63 -6.136 -5.742 -2.717 1.00 0.00 O ATOM 993 ND2 ASN A 63 -6.768 -6.544 -4.658 1.00 0.00 N ATOM 0 H ASN A 63 -8.391 -9.953 -2.160 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.996 -9.128 -3.404 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.365 -8.003 -3.188 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.785 -7.394 -1.650 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.292 -5.785 -5.146 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.267 -7.258 -5.189 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.089 -8.889 -0.127 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.235 -8.698 1.032 1.00 0.00 C ATOM 1002 C PHE A 64 -4.180 -9.799 1.084 1.00 0.00 C ATOM 1003 O PHE A 64 -2.983 -9.520 1.143 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.076 -8.687 2.318 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.779 -7.351 2.472 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -6.055 -6.219 2.878 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.153 -7.243 2.217 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.702 -4.986 3.021 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.798 -6.008 2.363 1.00 0.00 C ATOM 1010 CZ PHE A 64 -8.073 -4.880 2.764 1.00 0.00 C ATOM 0 H PHE A 64 -7.055 -9.139 0.082 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.730 -7.736 0.949 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.811 -9.492 2.288 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.437 -8.872 3.181 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.997 -6.300 3.080 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.715 -8.112 1.908 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.142 -4.116 3.330 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.857 -5.926 2.166 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.572 -3.928 2.875 1.00 0.00 H new ATOM 1020 N THR A 65 -4.630 -11.048 1.052 1.00 0.00 N ATOM 1021 CA THR A 65 -3.698 -12.169 1.097 1.00 0.00 C ATOM 1022 C THR A 65 -2.697 -12.046 -0.043 1.00 0.00 C ATOM 1023 O THR A 65 -1.496 -12.244 0.140 1.00 0.00 O ATOM 1024 CB THR A 65 -4.438 -13.502 0.957 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.556 -13.525 1.835 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.487 -14.651 1.308 1.00 0.00 C ATOM 0 H THR A 65 -5.615 -11.308 0.996 1.00 0.00 H new ATOM 0 HA THR A 65 -3.185 -12.146 2.059 1.00 0.00 H new ATOM 0 HB THR A 65 -4.786 -13.616 -0.070 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.312 -13.064 1.415 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.012 -15.601 1.209 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.633 -14.636 0.631 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.139 -14.534 2.334 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.212 -11.722 -1.218 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.381 -11.576 -2.403 1.00 0.00 C ATOM 1036 C LEU A 66 -1.356 -10.471 -2.223 1.00 0.00 C ATOM 1037 O LEU A 66 -0.188 -10.640 -2.562 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.286 -11.243 -3.588 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.477 -11.059 -4.879 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -1.819 -12.384 -5.289 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.433 -10.599 -5.980 1.00 0.00 C ATOM 0 H LEU A 66 -4.205 -11.554 -1.377 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.843 -12.508 -2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.016 -12.041 -3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.846 -10.332 -3.375 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.692 -10.319 -4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.249 -12.238 -6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.151 -12.719 -4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.590 -13.136 -5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.879 -10.461 -6.909 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.207 -11.352 -6.127 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.895 -9.655 -5.690 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.796 -9.335 -1.716 1.00 0.00 N ATOM 1054 CA ALA A 67 -0.887 -8.223 -1.531 1.00 0.00 C ATOM 1055 C ALA A 67 0.228 -8.613 -0.582 1.00 0.00 C ATOM 1056 O ALA A 67 1.388 -8.253 -0.782 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.634 -7.015 -0.970 1.00 0.00 C ATOM 0 H ALA A 67 -2.759 -9.160 -1.430 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.461 -7.961 -2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.938 -6.187 -0.836 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.421 -6.719 -1.664 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.077 -7.275 -0.009 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.134 -9.355 0.454 1.00 0.00 N ATOM 1064 CA PHE A 68 0.842 -9.788 1.436 1.00 0.00 C ATOM 1065 C PHE A 68 1.620 -11.003 0.935 1.00 0.00 C ATOM 1066 O PHE A 68 2.846 -11.026 1.004 1.00 0.00 O ATOM 1067 CB PHE A 68 0.144 -10.103 2.765 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.577 -8.866 3.290 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.131 -7.674 3.512 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -1.957 -8.913 3.564 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.533 -6.542 3.998 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.616 -7.776 4.055 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.905 -6.591 4.272 1.00 0.00 C ATOM 0 H PHE A 68 -1.089 -9.666 0.634 1.00 0.00 H new ATOM 0 HA PHE A 68 1.555 -8.979 1.596 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.569 -10.916 2.626 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.877 -10.443 3.497 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.191 -7.631 3.307 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.509 -9.826 3.396 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.016 -5.626 4.162 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.674 -7.816 4.266 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.413 -5.716 4.650 1.00 0.00 H new ATOM 1083 N SER A 69 0.915 -12.005 0.426 1.00 0.00 N ATOM 1084 CA SER A 69 1.578 -13.201 -0.080 1.00 0.00 C ATOM 1085 C SER A 69 2.499 -12.863 -1.248 1.00 0.00 C ATOM 1086 O SER A 69 3.521 -13.522 -1.457 1.00 0.00 O ATOM 1087 CB SER A 69 0.548 -14.239 -0.523 1.00 0.00 C ATOM 1088 OG SER A 69 -0.384 -14.450 0.528 1.00 0.00 O ATOM 0 H SER A 69 -0.102 -12.015 0.353 1.00 0.00 H new ATOM 0 HA SER A 69 2.178 -13.615 0.730 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.032 -13.897 -1.420 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.044 -15.175 -0.779 1.00 0.00 H new ATOM 0 HG SER A 69 -0.851 -13.611 0.724 1.00 0.00 H new ATOM 1094 N THR A 70 2.157 -11.814 -1.994 1.00 0.00 N ATOM 1095 CA THR A 70 2.993 -11.395 -3.109 1.00 0.00 C ATOM 1096 C THR A 70 4.191 -10.600 -2.601 1.00 0.00 C ATOM 1097 O THR A 70 5.323 -10.824 -3.025 1.00 0.00 O ATOM 1098 CB THR A 70 2.198 -10.554 -4.107 1.00 0.00 C ATOM 1099 OG1 THR A 70 1.020 -11.249 -4.484 1.00 0.00 O ATOM 1100 CG2 THR A 70 3.059 -10.293 -5.344 1.00 0.00 C ATOM 0 H THR A 70 1.320 -11.249 -1.848 1.00 0.00 H new ATOM 0 HA THR A 70 3.346 -12.291 -3.619 1.00 0.00 H new ATOM 0 HB THR A 70 1.922 -9.605 -3.647 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.474 -11.422 -3.689 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.496 -9.693 -6.059 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.962 -9.757 -5.052 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.333 -11.243 -5.803 1.00 0.00 H new ATOM 1108 N ALA A 71 3.930 -9.665 -1.693 1.00 0.00 N ATOM 1109 CA ALA A 71 4.996 -8.837 -1.143 1.00 0.00 C ATOM 1110 C ALA A 71 5.998 -9.682 -0.365 1.00 0.00 C ATOM 1111 O ALA A 71 7.197 -9.406 -0.384 1.00 0.00 O ATOM 1112 CB ALA A 71 4.416 -7.763 -0.221 1.00 0.00 C ATOM 0 H ALA A 71 3.000 -9.463 -1.326 1.00 0.00 H new ATOM 0 HA ALA A 71 5.510 -8.360 -1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.225 -7.153 0.181 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.731 -7.130 -0.785 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.878 -8.239 0.599 1.00 0.00 H new ATOM 1118 N GLU A 72 5.506 -10.714 0.320 1.00 0.00 N ATOM 1119 CA GLU A 72 6.386 -11.579 1.089 1.00 0.00 C ATOM 1120 C GLU A 72 7.222 -12.462 0.166 1.00 0.00 C ATOM 1121 O GLU A 72 8.432 -12.590 0.331 1.00 0.00 O ATOM 1122 CB GLU A 72 5.568 -12.457 2.043 1.00 0.00 C ATOM 1123 CG GLU A 72 4.980 -11.593 3.164 1.00 0.00 C ATOM 1124 CD GLU A 72 4.115 -12.446 4.088 1.00 0.00 C ATOM 1125 OE1 GLU A 72 4.038 -13.643 3.859 1.00 0.00 O ATOM 1126 OE2 GLU A 72 3.548 -11.891 5.016 1.00 0.00 O ATOM 0 H GLU A 72 4.518 -10.965 0.356 1.00 0.00 H new ATOM 0 HA GLU A 72 7.058 -10.947 1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.767 -12.956 1.497 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.200 -13.238 2.466 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.784 -11.127 3.734 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.383 -10.787 2.737 1.00 0.00 H new ATOM 1133 N LYS A 73 6.581 -13.083 -0.808 1.00 0.00 N ATOM 1134 CA LYS A 73 7.317 -13.949 -1.716 1.00 0.00 C ATOM 1135 C LYS A 73 8.378 -13.155 -2.487 1.00 0.00 C ATOM 1136 O LYS A 73 9.498 -13.632 -2.690 1.00 0.00 O ATOM 1137 CB LYS A 73 6.351 -14.626 -2.702 1.00 0.00 C ATOM 1138 CG LYS A 73 5.543 -15.734 -1.994 1.00 0.00 C ATOM 1139 CD LYS A 73 4.532 -16.357 -2.971 1.00 0.00 C ATOM 1140 CE LYS A 73 3.710 -17.430 -2.246 1.00 0.00 C ATOM 1141 NZ LYS A 73 4.592 -18.581 -1.899 1.00 0.00 N ATOM 0 H LYS A 73 5.580 -13.009 -0.990 1.00 0.00 H new ATOM 0 HA LYS A 73 7.820 -14.714 -1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.672 -13.884 -3.122 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.911 -15.052 -3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.218 -16.503 -1.617 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.020 -15.319 -1.132 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.872 -15.586 -3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.055 -16.797 -3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.265 -17.014 -1.342 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.889 -17.765 -2.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.007 -19.412 -1.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.211 -18.799 -2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.173 -18.336 -1.072 1.00 0.00 H new ATOM 1155 N LEU A 74 8.009 -11.960 -2.936 1.00 0.00 N ATOM 1156 CA LEU A 74 8.916 -11.120 -3.706 1.00 0.00 C ATOM 1157 C LEU A 74 9.945 -10.395 -2.834 1.00 0.00 C ATOM 1158 O LEU A 74 11.096 -10.250 -3.243 1.00 0.00 O ATOM 1159 CB LEU A 74 8.108 -10.088 -4.500 1.00 0.00 C ATOM 1160 CG LEU A 74 7.170 -10.790 -5.499 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.350 -9.735 -6.256 1.00 0.00 C ATOM 1162 CD2 LEU A 74 7.983 -11.624 -6.511 1.00 0.00 C ATOM 0 H LEU A 74 7.087 -11.552 -2.779 1.00 0.00 H new ATOM 0 HA LEU A 74 9.468 -11.779 -4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.525 -9.470 -3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.784 -9.421 -5.034 1.00 0.00 H new ATOM 0 HG LEU A 74 6.505 -11.455 -4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.685 -10.230 -6.964 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.759 -9.156 -5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.023 -9.069 -6.796 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.303 -12.113 -7.209 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.660 -10.970 -7.061 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.561 -12.379 -5.979 1.00 0.00 H new ATOM 1174 N ALA A 75 9.534 -9.893 -1.662 1.00 0.00 N ATOM 1175 CA ALA A 75 10.462 -9.138 -0.805 1.00 0.00 C ATOM 1176 C ALA A 75 10.468 -9.618 0.640 1.00 0.00 C ATOM 1177 O ALA A 75 11.106 -8.996 1.489 1.00 0.00 O ATOM 1178 CB ALA A 75 10.076 -7.658 -0.837 1.00 0.00 C ATOM 0 H ALA A 75 8.589 -9.991 -1.291 1.00 0.00 H new ATOM 0 HA ALA A 75 11.466 -9.297 -1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.758 -7.090 -0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.137 -7.288 -1.860 1.00 0.00 H new ATOM 0 HB3 ALA A 75 9.057 -7.540 -0.469 1.00 0.00 H new ATOM 1184 N ASP A 76 9.791 -10.722 0.936 1.00 0.00 N ATOM 1185 CA ASP A 76 9.784 -11.230 2.304 1.00 0.00 C ATOM 1186 C ASP A 76 9.539 -10.086 3.285 1.00 0.00 C ATOM 1187 O ASP A 76 10.153 -10.019 4.348 1.00 0.00 O ATOM 1188 CB ASP A 76 11.125 -11.895 2.599 1.00 0.00 C ATOM 1189 CG ASP A 76 11.286 -13.146 1.738 1.00 0.00 C ATOM 1190 OD1 ASP A 76 10.276 -13.700 1.332 1.00 0.00 O ATOM 1191 OD2 ASP A 76 12.418 -13.535 1.502 1.00 0.00 O ATOM 0 H ASP A 76 9.252 -11.271 0.266 1.00 0.00 H new ATOM 0 HA ASP A 76 8.984 -11.962 2.416 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.938 -11.198 2.398 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.185 -12.159 3.655 1.00 0.00 H new ATOM 1196 N CYS A 77 8.651 -9.179 2.883 1.00 0.00 N ATOM 1197 CA CYS A 77 8.310 -8.006 3.684 1.00 0.00 C ATOM 1198 C CYS A 77 8.019 -8.355 5.147 1.00 0.00 C ATOM 1199 O CYS A 77 8.304 -9.455 5.617 1.00 0.00 O ATOM 1200 CB CYS A 77 7.087 -7.318 3.069 1.00 0.00 C ATOM 1201 SG CYS A 77 5.603 -8.290 3.422 1.00 0.00 S ATOM 0 H CYS A 77 8.150 -9.236 1.997 1.00 0.00 H new ATOM 0 HA CYS A 77 9.173 -7.341 3.678 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.980 -6.312 3.475 1.00 0.00 H new ATOM 0 HB3 CYS A 77 7.219 -7.215 1.992 1.00 0.00 H new ATOM 0 HG CYS A 77 5.375 -8.284 4.702 1.00 0.00 H new ATOM 1207 N ALA A 78 7.434 -7.387 5.850 1.00 0.00 N ATOM 1208 CA ALA A 78 7.082 -7.554 7.260 1.00 0.00 C ATOM 1209 C ALA A 78 5.718 -8.226 7.393 1.00 0.00 C ATOM 1210 O ALA A 78 4.997 -8.379 6.409 1.00 0.00 O ATOM 1211 CB ALA A 78 7.056 -6.184 7.947 1.00 0.00 C ATOM 0 H ALA A 78 7.193 -6.474 5.464 1.00 0.00 H new ATOM 0 HA ALA A 78 7.829 -8.187 7.738 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.794 -6.309 8.998 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.039 -5.720 7.871 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.316 -5.547 7.461 1.00 0.00 H new ATOM 1217 N GLN A 79 5.365 -8.630 8.616 1.00 0.00 N ATOM 1218 CA GLN A 79 4.089 -9.285 8.875 1.00 0.00 C ATOM 1219 C GLN A 79 3.348 -8.551 9.985 1.00 0.00 C ATOM 1220 O GLN A 79 3.213 -9.062 11.099 1.00 0.00 O ATOM 1221 CB GLN A 79 4.336 -10.730 9.302 1.00 0.00 C ATOM 1222 CG GLN A 79 3.004 -11.465 9.385 1.00 0.00 C ATOM 1223 CD GLN A 79 3.234 -12.939 9.703 1.00 0.00 C ATOM 1224 OE1 GLN A 79 4.330 -13.456 9.490 1.00 0.00 O ATOM 1225 NE2 GLN A 79 2.260 -13.650 10.206 1.00 0.00 N ATOM 0 H GLN A 79 5.951 -8.512 9.443 1.00 0.00 H new ATOM 0 HA GLN A 79 3.487 -9.269 7.967 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.994 -11.225 8.588 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.839 -10.755 10.269 1.00 0.00 H new ATOM 0 HG2 GLN A 79 2.378 -11.013 10.155 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.468 -11.369 8.441 1.00 0.00 H new ATOM 0 HE21 GLN A 79 1.352 -13.219 10.382 1.00 0.00 H new ATOM 0 HE22 GLN A 79 2.407 -14.636 10.423 1.00 0.00 H new ATOM 1234 N LEU A 80 2.892 -7.332 9.693 1.00 0.00 N ATOM 1235 CA LEU A 80 2.189 -6.528 10.692 1.00 0.00 C ATOM 1236 C LEU A 80 0.670 -6.556 10.466 1.00 0.00 C ATOM 1237 O LEU A 80 -0.097 -6.289 11.391 1.00 0.00 O ATOM 1238 CB LEU A 80 2.656 -5.063 10.617 1.00 0.00 C ATOM 1239 CG LEU A 80 4.157 -4.972 10.331 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.553 -3.498 10.280 1.00 0.00 C ATOM 1241 CD2 LEU A 80 4.952 -5.664 11.434 1.00 0.00 C ATOM 0 H LEU A 80 2.996 -6.884 8.783 1.00 0.00 H new ATOM 0 HA LEU A 80 2.417 -6.954 11.669 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.102 -4.542 9.836 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.431 -4.559 11.557 1.00 0.00 H new ATOM 0 HG LEU A 80 4.374 -5.462 9.382 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.621 -3.415 10.077 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.993 -2.998 9.490 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.328 -3.028 11.237 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.017 -5.590 11.216 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.743 -5.183 12.390 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.664 -6.714 11.486 1.00 0.00 H new ATOM 1253 N LEU A 81 0.238 -6.858 9.232 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.208 -6.885 8.909 1.00 0.00 C ATOM 1255 C LEU A 81 -1.695 -8.296 8.576 1.00 0.00 C ATOM 1256 O LEU A 81 -1.042 -9.039 7.846 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.510 -5.982 7.702 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.808 -4.636 7.861 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -1.139 -3.734 6.672 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -1.286 -3.960 9.142 1.00 0.00 C ATOM 0 H LEU A 81 0.852 -7.084 8.450 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.729 -6.526 9.797 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.178 -6.467 6.784 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.586 -5.831 7.612 1.00 0.00 H new ATOM 0 HG LEU A 81 0.269 -4.801 7.907 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.635 -2.775 6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.802 -4.209 5.750 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.216 -3.574 6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.784 -2.999 9.255 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.363 -3.803 9.090 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.052 -4.594 9.997 1.00 0.00 H new ATOM 1272 N GLU A 82 -2.868 -8.638 9.115 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.485 -9.945 8.880 1.00 0.00 C ATOM 1274 C GLU A 82 -4.758 -9.782 8.059 1.00 0.00 C ATOM 1275 O GLU A 82 -5.626 -8.977 8.388 1.00 0.00 O ATOM 1276 CB GLU A 82 -3.808 -10.606 10.217 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.498 -10.929 10.937 1.00 0.00 C ATOM 1278 CD GLU A 82 -1.752 -12.034 10.195 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -2.398 -12.770 9.468 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -0.551 -12.136 10.377 1.00 0.00 O ATOM 0 H GLU A 82 -3.412 -8.023 9.721 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.789 -10.575 8.326 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.420 -9.943 10.828 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.386 -11.517 10.058 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.876 -10.036 10.996 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.704 -11.242 11.961 1.00 0.00 H new ATOM 1287 N VAL A 83 -4.847 -10.550 6.983 1.00 0.00 N ATOM 1288 CA VAL A 83 -5.992 -10.497 6.087 1.00 0.00 C ATOM 1289 C VAL A 83 -7.312 -10.543 6.849 1.00 0.00 C ATOM 1290 O VAL A 83 -8.194 -9.710 6.643 1.00 0.00 O ATOM 1291 CB VAL A 83 -5.906 -11.703 5.145 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.148 -11.765 4.238 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.612 -11.617 4.310 1.00 0.00 C ATOM 0 H VAL A 83 -4.132 -11.223 6.708 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.967 -9.557 5.535 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.878 -12.619 5.734 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.072 -12.627 3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.043 -11.858 4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.210 -10.854 3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.553 -12.476 3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.618 -10.699 3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.749 -11.616 4.976 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.449 -11.537 7.707 1.00 0.00 N ATOM 1304 CA ASP A 84 -8.675 -11.713 8.472 1.00 0.00 C ATOM 1305 C ASP A 84 -9.035 -10.450 9.243 1.00 0.00 C ATOM 1306 O ASP A 84 -10.190 -10.022 9.240 1.00 0.00 O ATOM 1307 CB ASP A 84 -8.500 -12.875 9.449 1.00 0.00 C ATOM 1308 CG ASP A 84 -8.451 -14.191 8.680 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -8.799 -14.184 7.511 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -8.064 -15.186 9.270 1.00 0.00 O ATOM 0 H ASP A 84 -6.729 -12.235 7.893 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.485 -11.927 7.775 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.583 -12.744 10.024 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.324 -12.890 10.162 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.051 -9.860 9.906 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.289 -8.654 10.681 1.00 0.00 C ATOM 1317 C ASP A 85 -8.731 -7.519 9.772 1.00 0.00 C ATOM 1318 O ASP A 85 -9.663 -6.782 10.087 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.009 -8.252 11.412 1.00 0.00 C ATOM 1320 CG ASP A 85 -6.725 -9.233 12.544 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -7.630 -9.964 12.910 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -5.604 -9.239 13.029 1.00 0.00 O ATOM 0 H ASP A 85 -7.088 -10.195 9.922 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.078 -8.854 11.406 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.172 -8.237 10.714 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.110 -7.243 11.811 1.00 0.00 H new ATOM 1327 N MET A 86 -8.068 -7.398 8.635 1.00 0.00 N ATOM 1328 CA MET A 86 -8.406 -6.355 7.683 1.00 0.00 C ATOM 1329 C MET A 86 -9.834 -6.533 7.200 1.00 0.00 C ATOM 1330 O MET A 86 -10.599 -5.574 7.085 1.00 0.00 O ATOM 1331 CB MET A 86 -7.463 -6.435 6.478 1.00 0.00 C ATOM 1332 CG MET A 86 -6.001 -6.200 6.917 1.00 0.00 C ATOM 1333 SD MET A 86 -5.166 -5.158 5.695 1.00 0.00 S ATOM 1334 CE MET A 86 -5.800 -3.567 6.294 1.00 0.00 C ATOM 0 H MET A 86 -7.298 -8.004 8.350 1.00 0.00 H new ATOM 0 HA MET A 86 -8.305 -5.387 8.173 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.553 -7.412 6.003 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.750 -5.691 5.735 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.976 -5.722 7.896 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.481 -7.153 7.014 1.00 0.00 H new ATOM 0 HE1 MET A 86 -6.098 -2.951 5.445 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.662 -3.738 6.939 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.021 -3.054 6.858 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.177 -7.779 6.931 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.506 -8.123 6.466 1.00 0.00 C ATOM 1346 C VAL A 87 -12.559 -7.792 7.514 1.00 0.00 C ATOM 1347 O VAL A 87 -13.619 -7.252 7.192 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.547 -9.618 6.136 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -12.982 -10.043 5.796 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.619 -9.895 4.940 1.00 0.00 C ATOM 0 H VAL A 87 -9.547 -8.575 7.028 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.729 -7.537 5.574 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.210 -10.191 7.000 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -13.001 -11.108 5.563 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.631 -9.847 6.649 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.335 -9.477 4.934 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.643 -10.958 4.699 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.956 -9.320 4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.600 -9.604 5.195 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.272 -8.126 8.768 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.207 -7.874 9.854 1.00 0.00 C ATOM 1362 C ARG A 88 -13.276 -6.394 10.209 1.00 0.00 C ATOM 1363 O ARG A 88 -14.359 -5.828 10.345 1.00 0.00 O ATOM 1364 CB ARG A 88 -12.753 -8.664 11.085 1.00 0.00 C ATOM 1365 CG ARG A 88 -12.929 -10.159 10.816 1.00 0.00 C ATOM 1366 CD ARG A 88 -12.393 -10.967 11.999 1.00 0.00 C ATOM 1367 NE ARG A 88 -13.193 -10.696 13.194 1.00 0.00 N ATOM 1368 CZ ARG A 88 -14.103 -11.564 13.629 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -13.819 -12.838 13.677 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -15.279 -11.144 13.998 1.00 0.00 N ATOM 0 H ARG A 88 -11.400 -8.571 9.055 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.200 -8.188 9.531 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.709 -8.443 11.309 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.336 -8.368 11.957 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.983 -10.387 10.656 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.401 -10.438 9.904 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.422 -12.031 11.766 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -11.350 -10.709 12.183 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.050 -9.824 13.704 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -12.900 -13.167 13.381 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -14.516 -13.504 14.010 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.503 -10.150 13.954 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.977 -11.809 14.331 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.116 -5.774 10.363 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.069 -4.367 10.714 1.00 0.00 C ATOM 1386 C LEU A 89 -12.908 -3.544 9.748 1.00 0.00 C ATOM 1387 O LEU A 89 -13.855 -2.869 10.151 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.615 -3.872 10.670 1.00 0.00 C ATOM 1389 CG LEU A 89 -9.813 -4.435 11.860 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.311 -4.272 11.585 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -10.168 -3.681 13.154 1.00 0.00 C ATOM 0 H LEU A 89 -11.205 -6.219 10.251 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.472 -4.249 11.720 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.149 -4.178 9.733 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.595 -2.782 10.694 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.062 -5.489 11.981 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.742 -4.670 12.425 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.046 -4.815 10.678 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.077 -3.215 11.456 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.593 -4.092 13.984 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.931 -2.624 13.036 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.232 -3.793 13.360 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.509 -3.566 8.486 1.00 0.00 N ATOM 1404 CA ALA A 90 -13.187 -2.774 7.470 1.00 0.00 C ATOM 1405 C ALA A 90 -12.832 -1.314 7.725 1.00 0.00 C ATOM 1406 O ALA A 90 -13.487 -0.395 7.240 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.709 -2.981 7.541 1.00 0.00 C ATOM 0 H ALA A 90 -11.725 -4.119 8.142 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.869 -3.079 6.473 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.194 -2.379 6.773 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.941 -4.033 7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -15.072 -2.677 8.523 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.759 -1.150 8.501 1.00 0.00 N ATOM 1414 CA VAL A 91 -11.236 0.161 8.882 1.00 0.00 C ATOM 1415 C VAL A 91 -9.803 0.001 9.417 1.00 0.00 C ATOM 1416 O VAL A 91 -9.618 -0.238 10.610 1.00 0.00 O ATOM 1417 CB VAL A 91 -12.117 0.780 9.985 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.433 2.030 10.562 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.486 1.175 9.404 1.00 0.00 C ATOM 0 H VAL A 91 -11.225 -1.930 8.885 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.239 0.813 8.008 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.257 0.043 10.776 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.062 2.462 11.341 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.468 1.753 10.986 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.284 2.762 9.768 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.102 1.612 10.190 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.346 1.904 8.606 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.981 0.290 9.004 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.795 0.118 8.583 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.382 -0.024 9.032 1.00 0.00 C ATOM 1431 C PRO A 92 -6.940 1.157 9.887 1.00 0.00 C ATOM 1432 O PRO A 92 -7.688 2.116 10.076 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.556 -0.135 7.728 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.540 -0.075 6.588 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.878 0.412 7.149 1.00 0.00 C ATOM 0 HA PRO A 92 -7.245 -0.898 9.669 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.832 0.677 7.658 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.992 -1.068 7.705 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.183 0.601 5.811 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.653 -1.057 6.129 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.021 1.477 6.969 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.717 -0.106 6.684 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.714 1.079 10.395 1.00 0.00 N ATOM 1444 CA ASP A 93 -5.159 2.146 11.224 1.00 0.00 C ATOM 1445 C ASP A 93 -3.991 2.814 10.509 1.00 0.00 C ATOM 1446 O ASP A 93 -3.075 2.149 10.027 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.719 1.578 12.572 1.00 0.00 C ATOM 1448 CG ASP A 93 -5.948 1.220 13.404 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -7.036 1.616 13.018 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -5.785 0.559 14.416 1.00 0.00 O ATOM 0 H ASP A 93 -5.086 0.289 10.248 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.926 2.901 11.399 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.100 0.694 12.421 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.108 2.308 13.103 1.00 0.00 H new ATOM 1455 N SER A 94 -4.053 4.137 10.428 1.00 0.00 N ATOM 1456 CA SER A 94 -3.020 4.911 9.749 1.00 0.00 C ATOM 1457 C SER A 94 -1.633 4.523 10.235 1.00 0.00 C ATOM 1458 O SER A 94 -0.671 4.519 9.468 1.00 0.00 O ATOM 1459 CB SER A 94 -3.243 6.402 9.994 1.00 0.00 C ATOM 1460 OG SER A 94 -4.554 6.756 9.577 1.00 0.00 O ATOM 0 H SER A 94 -4.808 4.697 10.824 1.00 0.00 H new ATOM 0 HA SER A 94 -3.086 4.696 8.682 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.111 6.632 11.051 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.504 6.987 9.446 1.00 0.00 H new ATOM 0 HG SER A 94 -4.700 7.712 9.735 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.543 4.180 11.506 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.277 3.771 12.078 1.00 0.00 C ATOM 1468 C LYS A 95 0.168 2.435 11.506 1.00 0.00 C ATOM 1469 O LYS A 95 1.343 2.242 11.192 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.404 3.649 13.595 1.00 0.00 C ATOM 1471 CG LYS A 95 0.994 3.637 14.243 1.00 0.00 C ATOM 1472 CD LYS A 95 1.454 5.079 14.506 1.00 0.00 C ATOM 1473 CE LYS A 95 2.893 5.082 15.016 1.00 0.00 C ATOM 1474 NZ LYS A 95 2.962 4.363 16.318 1.00 0.00 N ATOM 0 H LYS A 95 -2.327 4.177 12.158 1.00 0.00 H new ATOM 0 HA LYS A 95 0.467 4.528 11.830 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.988 4.481 13.987 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.940 2.735 13.851 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.968 3.077 15.178 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.705 3.132 13.589 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.383 5.665 13.590 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.799 5.551 15.238 1.00 0.00 H new ATOM 0 HE2 LYS A 95 3.548 4.602 14.289 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.245 6.107 15.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 3.866 4.578 16.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.176 4.670 16.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.892 3.339 16.153 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.778 1.511 11.378 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.465 0.196 10.851 1.00 0.00 C ATOM 1490 C CYS A 96 -0.030 0.292 9.391 1.00 0.00 C ATOM 1491 O CYS A 96 0.963 -0.311 8.984 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.692 -0.727 10.975 1.00 0.00 C ATOM 1493 SG CYS A 96 -2.786 -0.525 9.537 1.00 0.00 S ATOM 0 H CYS A 96 -1.757 1.650 11.630 1.00 0.00 H new ATOM 0 HA CYS A 96 0.358 -0.223 11.431 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.368 -1.765 11.050 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -2.237 -0.496 11.890 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.273 0.680 9.528 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.800 1.044 8.612 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.508 1.222 7.205 1.00 0.00 C ATOM 1501 C VAL A 97 0.826 1.914 7.071 1.00 0.00 C ATOM 1502 O VAL A 97 1.669 1.525 6.265 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.588 2.082 6.548 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -1.219 2.352 5.089 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.938 1.367 6.620 1.00 0.00 C ATOM 0 H VAL A 97 -1.631 1.538 8.937 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.482 0.249 6.714 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.660 3.031 7.079 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.992 2.965 4.626 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.265 2.877 5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.137 1.406 4.553 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.703 1.985 6.150 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.872 0.412 6.098 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.202 1.193 7.663 1.00 0.00 H new ATOM 1515 N TYR A 98 1.010 2.951 7.878 1.00 0.00 N ATOM 1516 CA TYR A 98 2.246 3.700 7.856 1.00 0.00 C ATOM 1517 C TYR A 98 3.411 2.798 8.221 1.00 0.00 C ATOM 1518 O TYR A 98 4.416 2.742 7.513 1.00 0.00 O ATOM 1519 CB TYR A 98 2.154 4.848 8.865 1.00 0.00 C ATOM 1520 CG TYR A 98 3.482 5.559 8.949 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.525 5.004 9.702 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.673 6.768 8.274 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.759 5.656 9.774 1.00 0.00 C ATOM 1524 CE2 TYR A 98 4.911 7.425 8.352 1.00 0.00 C ATOM 1525 CZ TYR A 98 5.953 6.866 9.100 1.00 0.00 C ATOM 1526 OH TYR A 98 7.172 7.506 9.169 1.00 0.00 O ATOM 0 H TYR A 98 0.320 3.286 8.550 1.00 0.00 H new ATOM 0 HA TYR A 98 2.408 4.097 6.854 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.374 5.548 8.564 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.875 4.462 9.845 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.375 4.072 10.227 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.869 7.196 7.693 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.564 5.225 10.351 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.059 8.362 7.835 1.00 0.00 H new ATOM 0 HH TYR A 98 7.138 8.333 8.644 1.00 0.00 H new ATOM 1536 N THR A 99 3.269 2.095 9.335 1.00 0.00 N ATOM 1537 CA THR A 99 4.321 1.207 9.792 1.00 0.00 C ATOM 1538 C THR A 99 4.629 0.177 8.719 1.00 0.00 C ATOM 1539 O THR A 99 5.789 -0.115 8.446 1.00 0.00 O ATOM 1540 CB THR A 99 3.900 0.497 11.081 1.00 0.00 C ATOM 1541 OG1 THR A 99 3.401 1.452 12.009 1.00 0.00 O ATOM 1542 CG2 THR A 99 5.105 -0.222 11.687 1.00 0.00 C ATOM 0 H THR A 99 2.443 2.123 9.933 1.00 0.00 H new ATOM 0 HA THR A 99 5.213 1.800 9.993 1.00 0.00 H new ATOM 0 HB THR A 99 3.121 -0.231 10.855 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.429 1.527 11.911 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.804 -0.727 12.605 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.486 -0.956 10.977 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.886 0.504 11.912 1.00 0.00 H new ATOM 1550 N TYR A 100 3.590 -0.364 8.099 1.00 0.00 N ATOM 1551 CA TYR A 100 3.763 -1.353 7.047 1.00 0.00 C ATOM 1552 C TYR A 100 4.545 -0.753 5.886 1.00 0.00 C ATOM 1553 O TYR A 100 5.525 -1.323 5.410 1.00 0.00 O ATOM 1554 CB TYR A 100 2.384 -1.761 6.537 1.00 0.00 C ATOM 1555 CG TYR A 100 2.531 -2.895 5.562 1.00 0.00 C ATOM 1556 CD1 TYR A 100 2.517 -4.216 6.022 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.677 -2.630 4.198 1.00 0.00 C ATOM 1558 CE1 TYR A 100 2.650 -5.273 5.119 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.807 -3.689 3.290 1.00 0.00 C ATOM 1560 CZ TYR A 100 2.794 -5.012 3.751 1.00 0.00 C ATOM 1561 OH TYR A 100 2.924 -6.055 2.858 1.00 0.00 O ATOM 0 H TYR A 100 2.618 -0.134 8.307 1.00 0.00 H new ATOM 0 HA TYR A 100 4.305 -2.211 7.444 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.750 -2.063 7.371 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.896 -0.913 6.056 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.403 -4.419 7.077 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.690 -1.610 3.844 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.642 -6.292 5.476 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.917 -3.486 2.235 1.00 0.00 H new ATOM 0 HH TYR A 100 3.694 -6.606 3.109 1.00 0.00 H new ATOM 1571 N ILE A 101 4.087 0.415 5.447 1.00 0.00 N ATOM 1572 CA ILE A 101 4.717 1.125 4.345 1.00 0.00 C ATOM 1573 C ILE A 101 6.154 1.456 4.729 1.00 0.00 C ATOM 1574 O ILE A 101 7.072 1.344 3.916 1.00 0.00 O ATOM 1575 CB ILE A 101 3.935 2.418 4.041 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.536 2.079 3.475 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.712 3.287 3.041 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.588 1.766 1.969 1.00 0.00 C ATOM 0 H ILE A 101 3.276 0.891 5.842 1.00 0.00 H new ATOM 0 HA ILE A 101 4.714 0.501 3.452 1.00 0.00 H new ATOM 0 HB ILE A 101 3.812 2.976 4.969 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.125 1.223 4.010 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.861 2.917 3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.148 4.197 2.835 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.682 3.549 3.463 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.858 2.733 2.114 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.585 1.533 1.611 1.00 0.00 H new ATOM 0 HD12 ILE A 101 2.974 2.632 1.431 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.242 0.911 1.797 1.00 0.00 H new ATOM 1590 N GLN A 102 6.330 1.866 5.980 1.00 0.00 N ATOM 1591 CA GLN A 102 7.650 2.218 6.493 1.00 0.00 C ATOM 1592 C GLN A 102 8.647 1.100 6.228 1.00 0.00 C ATOM 1593 O GLN A 102 9.658 1.292 5.553 1.00 0.00 O ATOM 1594 CB GLN A 102 7.567 2.446 8.002 1.00 0.00 C ATOM 1595 CG GLN A 102 8.840 3.145 8.480 1.00 0.00 C ATOM 1596 CD GLN A 102 8.782 3.372 9.987 1.00 0.00 C ATOM 1597 OE1 GLN A 102 8.370 2.483 10.735 1.00 0.00 O ATOM 1598 NE2 GLN A 102 9.176 4.513 10.482 1.00 0.00 N ATOM 0 H GLN A 102 5.575 1.963 6.659 1.00 0.00 H new ATOM 0 HA GLN A 102 7.983 3.124 5.987 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.694 3.053 8.242 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.446 1.494 8.519 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.712 2.540 8.229 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.955 4.099 7.965 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.517 5.248 9.862 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.143 4.670 11.489 1.00 0.00 H new ATOM 1607 N GLU A 103 8.364 -0.064 6.788 1.00 0.00 N ATOM 1608 CA GLU A 103 9.256 -1.198 6.620 1.00 0.00 C ATOM 1609 C GLU A 103 9.412 -1.515 5.139 1.00 0.00 C ATOM 1610 O GLU A 103 10.519 -1.750 4.657 1.00 0.00 O ATOM 1611 CB GLU A 103 8.691 -2.418 7.376 1.00 0.00 C ATOM 1612 CG GLU A 103 9.314 -2.499 8.774 1.00 0.00 C ATOM 1613 CD GLU A 103 8.919 -1.276 9.592 1.00 0.00 C ATOM 1614 OE1 GLU A 103 7.901 -0.686 9.282 1.00 0.00 O ATOM 1615 OE2 GLU A 103 9.643 -0.946 10.514 1.00 0.00 O ATOM 0 H GLU A 103 7.536 -0.247 7.355 1.00 0.00 H new ATOM 0 HA GLU A 103 10.236 -0.954 7.030 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.607 -2.338 7.455 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.903 -3.331 6.820 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.981 -3.407 9.278 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.399 -2.559 8.695 1.00 0.00 H new ATOM 1622 N LEU A 104 8.293 -1.531 4.436 1.00 0.00 N ATOM 1623 CA LEU A 104 8.290 -1.828 3.015 1.00 0.00 C ATOM 1624 C LEU A 104 9.140 -0.825 2.253 1.00 0.00 C ATOM 1625 O LEU A 104 9.935 -1.195 1.395 1.00 0.00 O ATOM 1626 CB LEU A 104 6.854 -1.732 2.519 1.00 0.00 C ATOM 1627 CG LEU A 104 6.757 -2.044 1.018 1.00 0.00 C ATOM 1628 CD1 LEU A 104 7.281 -3.456 0.728 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.290 -1.944 0.589 1.00 0.00 C ATOM 0 H LEU A 104 7.371 -1.341 4.829 1.00 0.00 H new ATOM 0 HA LEU A 104 8.700 -2.825 2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.227 -2.427 3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.468 -0.731 2.710 1.00 0.00 H new ATOM 0 HG LEU A 104 7.363 -1.329 0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.205 -3.660 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.324 -3.528 1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.687 -4.185 1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.206 -2.163 -0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.696 -2.661 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.922 -0.936 0.782 1.00 0.00 H new ATOM 1641 N TYR A 105 8.962 0.445 2.580 1.00 0.00 N ATOM 1642 CA TYR A 105 9.706 1.508 1.925 1.00 0.00 C ATOM 1643 C TYR A 105 11.187 1.206 2.001 1.00 0.00 C ATOM 1644 O TYR A 105 11.926 1.337 1.026 1.00 0.00 O ATOM 1645 CB TYR A 105 9.426 2.821 2.651 1.00 0.00 C ATOM 1646 CG TYR A 105 10.249 3.931 2.050 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.800 4.584 0.899 1.00 0.00 C ATOM 1648 CD2 TYR A 105 11.457 4.311 2.646 1.00 0.00 C ATOM 1649 CE1 TYR A 105 10.559 5.619 0.343 1.00 0.00 C ATOM 1650 CE2 TYR A 105 12.216 5.345 2.090 1.00 0.00 C ATOM 1651 CZ TYR A 105 11.767 5.999 0.938 1.00 0.00 C ATOM 1652 OH TYR A 105 12.512 7.020 0.387 1.00 0.00 O ATOM 0 H TYR A 105 8.309 0.764 3.295 1.00 0.00 H new ATOM 0 HA TYR A 105 9.403 1.584 0.881 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.366 3.065 2.581 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.660 2.717 3.710 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.868 4.290 0.439 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.803 3.805 3.535 1.00 0.00 H new ATOM 0 HE1 TYR A 105 10.212 6.125 -0.546 1.00 0.00 H new ATOM 0 HE2 TYR A 105 13.148 5.639 2.550 1.00 0.00 H new ATOM 0 HH TYR A 105 13.321 7.160 0.922 1.00 0.00 H new ATOM 1662 N ARG A 106 11.612 0.838 3.186 1.00 0.00 N ATOM 1663 CA ARG A 106 13.011 0.546 3.425 1.00 0.00 C ATOM 1664 C ARG A 106 13.479 -0.616 2.557 1.00 0.00 C ATOM 1665 O ARG A 106 14.562 -0.560 1.971 1.00 0.00 O ATOM 1666 CB ARG A 106 13.187 0.231 4.906 1.00 0.00 C ATOM 1667 CG ARG A 106 13.007 1.528 5.695 1.00 0.00 C ATOM 1668 CD ARG A 106 13.082 1.245 7.192 1.00 0.00 C ATOM 1669 NE ARG A 106 12.929 2.484 7.942 1.00 0.00 N ATOM 1670 CZ ARG A 106 13.121 2.516 9.254 1.00 0.00 C ATOM 1671 NH1 ARG A 106 12.252 1.958 10.050 1.00 0.00 N ATOM 1672 NH2 ARG A 106 14.179 3.099 9.745 1.00 0.00 N ATOM 0 H ARG A 106 11.010 0.733 4.003 1.00 0.00 H new ATOM 0 HA ARG A 106 13.621 1.409 3.158 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.457 -0.513 5.226 1.00 0.00 H new ATOM 0 HB3 ARG A 106 14.175 -0.192 5.090 1.00 0.00 H new ATOM 0 HG2 ARG A 106 13.779 2.244 5.413 1.00 0.00 H new ATOM 0 HG3 ARG A 106 12.046 1.981 5.450 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.301 0.539 7.477 1.00 0.00 H new ATOM 0 HD3 ARG A 106 14.037 0.779 7.435 1.00 0.00 H new ATOM 0 HE ARG A 106 12.670 3.340 7.451 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.428 1.499 9.663 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.397 1.981 11.059 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.860 3.531 9.120 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.326 3.123 10.754 1.00 0.00 H new ATOM 1686 N SER A 107 12.661 -1.656 2.445 1.00 0.00 N ATOM 1687 CA SER A 107 13.035 -2.794 1.615 1.00 0.00 C ATOM 1688 C SER A 107 13.236 -2.340 0.166 1.00 0.00 C ATOM 1689 O SER A 107 14.128 -2.831 -0.527 1.00 0.00 O ATOM 1690 CB SER A 107 11.956 -3.877 1.672 1.00 0.00 C ATOM 1691 OG SER A 107 10.752 -3.373 1.114 1.00 0.00 O ATOM 0 H SER A 107 11.755 -1.735 2.907 1.00 0.00 H new ATOM 0 HA SER A 107 13.968 -3.209 1.996 1.00 0.00 H new ATOM 0 HB2 SER A 107 12.282 -4.760 1.123 1.00 0.00 H new ATOM 0 HB3 SER A 107 11.790 -4.186 2.704 1.00 0.00 H new ATOM 0 HG SER A 107 10.651 -2.428 1.353 1.00 0.00 H new ATOM 1697 N LEU A 108 12.404 -1.396 -0.278 1.00 0.00 N ATOM 1698 CA LEU A 108 12.498 -0.878 -1.640 1.00 0.00 C ATOM 1699 C LEU A 108 13.821 -0.158 -1.863 1.00 0.00 C ATOM 1700 O LEU A 108 14.435 -0.280 -2.924 1.00 0.00 O ATOM 1701 CB LEU A 108 11.372 0.120 -1.917 1.00 0.00 C ATOM 1702 CG LEU A 108 10.001 -0.567 -1.874 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.906 0.492 -2.048 1.00 0.00 C ATOM 1704 CD2 LEU A 108 9.889 -1.608 -2.997 1.00 0.00 C ATOM 0 H LEU A 108 11.662 -0.978 0.284 1.00 0.00 H new ATOM 0 HA LEU A 108 12.422 -1.733 -2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.403 0.922 -1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.521 0.579 -2.894 1.00 0.00 H new ATOM 0 HG LEU A 108 9.884 -1.073 -0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.928 0.012 -2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.976 1.223 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 108 9.035 0.995 -3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.911 -2.087 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 108 10.009 -1.116 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.667 -2.361 -2.874 1.00 0.00 H new ATOM 1716 N VAL A 109 14.240 0.619 -0.870 1.00 0.00 N ATOM 1717 CA VAL A 109 15.475 1.376 -0.984 1.00 0.00 C ATOM 1718 C VAL A 109 16.660 0.440 -1.158 1.00 0.00 C ATOM 1719 O VAL A 109 17.511 0.659 -2.023 1.00 0.00 O ATOM 1720 CB VAL A 109 15.658 2.250 0.260 1.00 0.00 C ATOM 1721 CG1 VAL A 109 17.036 2.908 0.234 1.00 0.00 C ATOM 1722 CG2 VAL A 109 14.579 3.335 0.272 1.00 0.00 C ATOM 0 H VAL A 109 13.746 0.739 0.014 1.00 0.00 H new ATOM 0 HA VAL A 109 15.419 2.017 -1.864 1.00 0.00 H new ATOM 0 HB VAL A 109 15.574 1.631 1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 109 17.160 3.528 1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.807 2.138 0.219 1.00 0.00 H new ATOM 0 HG13 VAL A 109 17.126 3.528 -0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.703 3.962 1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.670 3.949 -0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.594 2.868 0.293 1.00 0.00 H new ATOM 1732 N GLN A 110 16.709 -0.612 -0.350 1.00 0.00 N ATOM 1733 CA GLN A 110 17.800 -1.568 -0.460 1.00 0.00 C ATOM 1734 C GLN A 110 17.760 -2.215 -1.834 1.00 0.00 C ATOM 1735 O GLN A 110 18.752 -2.220 -2.566 1.00 0.00 O ATOM 1736 CB GLN A 110 17.678 -2.655 0.625 1.00 0.00 C ATOM 1737 CG GLN A 110 17.141 -2.051 1.944 1.00 0.00 C ATOM 1738 CD GLN A 110 17.883 -2.630 3.152 1.00 0.00 C ATOM 1739 OE1 GLN A 110 17.672 -3.788 3.515 1.00 0.00 O ATOM 1740 NE2 GLN A 110 18.739 -1.884 3.796 1.00 0.00 N ATOM 0 H GLN A 110 16.021 -0.821 0.374 1.00 0.00 H new ATOM 0 HA GLN A 110 18.746 -1.044 -0.322 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.010 -3.445 0.282 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.651 -3.114 0.799 1.00 0.00 H new ATOM 0 HG2 GLN A 110 17.257 -0.967 1.926 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.074 -2.256 2.035 1.00 0.00 H new ATOM 0 HE21 GLN A 110 18.910 -0.926 3.492 1.00 0.00 H new ATOM 0 HE22 GLN A 110 19.236 -2.259 4.603 1.00 0.00 H new ATOM 1749 N LYS A 111 16.597 -2.763 -2.174 1.00 0.00 N ATOM 1750 CA LYS A 111 16.420 -3.416 -3.464 1.00 0.00 C ATOM 1751 C LYS A 111 16.786 -2.455 -4.599 1.00 0.00 C ATOM 1752 O LYS A 111 17.052 -2.882 -5.721 1.00 0.00 O ATOM 1753 CB LYS A 111 14.969 -3.896 -3.632 1.00 0.00 C ATOM 1754 CG LYS A 111 14.705 -5.128 -2.745 1.00 0.00 C ATOM 1755 CD LYS A 111 13.223 -5.542 -2.841 1.00 0.00 C ATOM 1756 CE LYS A 111 13.009 -6.450 -4.060 1.00 0.00 C ATOM 1757 NZ LYS A 111 13.699 -7.753 -3.837 1.00 0.00 N ATOM 0 H LYS A 111 15.769 -2.768 -1.578 1.00 0.00 H new ATOM 0 HA LYS A 111 17.081 -4.282 -3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.281 -3.094 -3.366 1.00 0.00 H new ATOM 0 HB3 LYS A 111 14.780 -4.145 -4.676 1.00 0.00 H new ATOM 0 HG2 LYS A 111 15.343 -5.955 -3.058 1.00 0.00 H new ATOM 0 HG3 LYS A 111 14.961 -4.902 -1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 111 12.923 -6.063 -1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 111 12.594 -4.656 -2.923 1.00 0.00 H new ATOM 0 HE2 LYS A 111 11.944 -6.614 -4.222 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.398 -5.969 -4.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 13.198 -8.504 -4.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 14.678 -7.690 -4.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 13.702 -7.975 -2.821 1.00 0.00 H new ATOM 1771 N GLY A 112 16.800 -1.159 -4.292 1.00 0.00 N ATOM 1772 CA GLY A 112 17.138 -0.148 -5.292 1.00 0.00 C ATOM 1773 C GLY A 112 15.948 0.101 -6.202 1.00 0.00 C ATOM 1774 O GLY A 112 16.084 0.613 -7.316 1.00 0.00 O ATOM 0 H GLY A 112 16.583 -0.787 -3.367 1.00 0.00 H new ATOM 0 HA2 GLY A 112 17.430 0.779 -4.799 1.00 0.00 H new ATOM 0 HA3 GLY A 112 17.994 -0.479 -5.881 1.00 0.00 H new ATOM 1778 N LEU A 113 14.785 -0.266 -5.692 1.00 0.00 N ATOM 1779 CA LEU A 113 13.532 -0.100 -6.408 1.00 0.00 C ATOM 1780 C LEU A 113 13.078 1.358 -6.393 1.00 0.00 C ATOM 1781 O LEU A 113 12.678 1.907 -7.420 1.00 0.00 O ATOM 1782 CB LEU A 113 12.471 -0.987 -5.741 1.00 0.00 C ATOM 1783 CG LEU A 113 12.579 -2.436 -6.246 1.00 0.00 C ATOM 1784 CD1 LEU A 113 11.635 -3.321 -5.423 1.00 0.00 C ATOM 1785 CD2 LEU A 113 12.190 -2.518 -7.739 1.00 0.00 C ATOM 0 H LEU A 113 14.683 -0.688 -4.769 1.00 0.00 H new ATOM 0 HA LEU A 113 13.672 -0.392 -7.449 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.598 -0.963 -4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.476 -0.595 -5.954 1.00 0.00 H new ATOM 0 HG LEU A 113 13.608 -2.778 -6.135 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.704 -4.351 -5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.918 -3.276 -4.371 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.611 -2.966 -5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.272 -3.550 -8.080 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.164 -2.174 -7.867 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.860 -1.888 -8.325 1.00 0.00 H new ATOM 1797 N VAL A 114 13.126 1.974 -5.215 1.00 0.00 N ATOM 1798 CA VAL A 114 12.707 3.366 -5.069 1.00 0.00 C ATOM 1799 C VAL A 114 13.670 4.327 -5.772 1.00 0.00 C ATOM 1800 O VAL A 114 13.240 5.277 -6.427 1.00 0.00 O ATOM 1801 CB VAL A 114 12.551 3.703 -3.561 1.00 0.00 C ATOM 1802 CG1 VAL A 114 12.823 5.194 -3.294 1.00 0.00 C ATOM 1803 CG2 VAL A 114 11.114 3.363 -3.092 1.00 0.00 C ATOM 0 H VAL A 114 13.449 1.535 -4.352 1.00 0.00 H new ATOM 0 HA VAL A 114 11.741 3.494 -5.557 1.00 0.00 H new ATOM 0 HB VAL A 114 13.278 3.108 -3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.706 5.400 -2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.839 5.439 -3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 114 12.116 5.800 -3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 114 11.011 3.602 -2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.396 3.947 -3.667 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.923 2.301 -3.245 1.00 0.00 H new ATOM 1813 N LYS A 115 14.959 4.075 -5.630 1.00 0.00 N ATOM 1814 CA LYS A 115 15.976 4.923 -6.258 1.00 0.00 C ATOM 1815 C LYS A 115 16.191 4.512 -7.715 1.00 0.00 C ATOM 1816 O LYS A 115 17.246 3.987 -8.074 1.00 0.00 O ATOM 1817 CB LYS A 115 17.296 4.819 -5.485 1.00 0.00 C ATOM 1818 CG LYS A 115 17.598 3.347 -5.180 1.00 0.00 C ATOM 1819 CD LYS A 115 19.004 3.209 -4.562 1.00 0.00 C ATOM 1820 CE LYS A 115 20.059 3.054 -5.669 1.00 0.00 C ATOM 1821 NZ LYS A 115 20.083 1.642 -6.144 1.00 0.00 N ATOM 0 H LYS A 115 15.333 3.295 -5.089 1.00 0.00 H new ATOM 0 HA LYS A 115 15.629 5.956 -6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 115 18.107 5.254 -6.070 1.00 0.00 H new ATOM 0 HB3 LYS A 115 17.232 5.387 -4.557 1.00 0.00 H new ATOM 0 HG2 LYS A 115 16.850 2.949 -4.494 1.00 0.00 H new ATOM 0 HG3 LYS A 115 17.536 2.758 -6.095 1.00 0.00 H new ATOM 0 HD2 LYS A 115 19.230 4.086 -3.955 1.00 0.00 H new ATOM 0 HD3 LYS A 115 19.034 2.345 -3.898 1.00 0.00 H new ATOM 0 HE2 LYS A 115 19.831 3.723 -6.499 1.00 0.00 H new ATOM 0 HE3 LYS A 115 21.041 3.338 -5.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 20.797 1.540 -6.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 20.320 1.013 -5.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 19.148 1.386 -6.521 1.00 0.00 H new ATOM 1835 N THR A 116 15.176 4.750 -8.546 1.00 0.00 N ATOM 1836 CA THR A 116 15.255 4.395 -9.964 1.00 0.00 C ATOM 1837 C THR A 116 16.207 5.314 -10.714 1.00 0.00 C ATOM 1838 O THR A 116 17.126 4.861 -11.391 1.00 0.00 O ATOM 1839 CB THR A 116 13.862 4.474 -10.595 1.00 0.00 C ATOM 1840 OG1 THR A 116 12.930 3.797 -9.765 1.00 0.00 O ATOM 1841 CG2 THR A 116 13.886 3.822 -11.978 1.00 0.00 C ATOM 0 H THR A 116 14.296 5.183 -8.266 1.00 0.00 H new ATOM 0 HA THR A 116 15.638 3.377 -10.036 1.00 0.00 H new ATOM 0 HB THR A 116 13.568 5.519 -10.696 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.037 3.848 -10.166 1.00 0.00 H new ATOM 0 HG21 THR A 116 12.893 3.880 -12.425 1.00 0.00 H new ATOM 0 HG22 THR A 116 14.601 4.344 -12.614 1.00 0.00 H new ATOM 0 HG23 THR A 116 14.181 2.777 -11.883 1.00 0.00 H new ATOM 1849 N LYS A 117 15.973 6.610 -10.590 1.00 0.00 N ATOM 1850 CA LYS A 117 16.814 7.603 -11.262 1.00 0.00 C ATOM 1851 C LYS A 117 16.950 8.863 -10.414 1.00 0.00 C ATOM 1852 O LYS A 117 16.025 9.243 -9.696 1.00 0.00 O ATOM 1853 CB LYS A 117 16.206 7.975 -12.614 1.00 0.00 C ATOM 1854 CG LYS A 117 14.730 8.398 -12.429 1.00 0.00 C ATOM 1855 CD LYS A 117 14.429 9.607 -13.316 1.00 0.00 C ATOM 1856 CE LYS A 117 12.986 10.046 -13.102 1.00 0.00 C ATOM 1857 NZ LYS A 117 12.802 11.419 -13.647 1.00 0.00 N ATOM 0 H LYS A 117 15.213 7.004 -10.035 1.00 0.00 H new ATOM 0 HA LYS A 117 17.801 7.165 -11.408 1.00 0.00 H new ATOM 0 HB2 LYS A 117 16.773 8.789 -13.066 1.00 0.00 H new ATOM 0 HB3 LYS A 117 16.268 7.127 -13.296 1.00 0.00 H new ATOM 0 HG2 LYS A 117 14.069 7.571 -12.687 1.00 0.00 H new ATOM 0 HG3 LYS A 117 14.540 8.644 -11.384 1.00 0.00 H new ATOM 0 HD2 LYS A 117 15.109 10.425 -13.077 1.00 0.00 H new ATOM 0 HD3 LYS A 117 14.592 9.353 -14.363 1.00 0.00 H new ATOM 0 HE2 LYS A 117 12.306 9.352 -13.596 1.00 0.00 H new ATOM 0 HE3 LYS A 117 12.743 10.029 -12.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 11.817 11.721 -13.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 13.442 12.076 -13.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 13.018 11.421 -14.664 1.00 0.00 H new ATOM 1871 N LYS A 118 18.100 9.526 -10.514 1.00 0.00 N ATOM 1872 CA LYS A 118 18.338 10.759 -9.759 1.00 0.00 C ATOM 1873 C LYS A 118 18.630 11.909 -10.725 1.00 0.00 C ATOM 1874 O LYS A 118 19.186 11.702 -11.804 1.00 0.00 O ATOM 1875 CB LYS A 118 19.518 10.564 -8.800 1.00 0.00 C ATOM 1876 CG LYS A 118 19.159 9.521 -7.729 1.00 0.00 C ATOM 1877 CD LYS A 118 20.365 9.304 -6.803 1.00 0.00 C ATOM 1878 CE LYS A 118 20.002 8.321 -5.685 1.00 0.00 C ATOM 1879 NZ LYS A 118 19.799 6.963 -6.260 1.00 0.00 N ATOM 0 H LYS A 118 18.878 9.235 -11.106 1.00 0.00 H new ATOM 0 HA LYS A 118 17.448 11.001 -9.178 1.00 0.00 H new ATOM 0 HB2 LYS A 118 20.398 10.239 -9.355 1.00 0.00 H new ATOM 0 HB3 LYS A 118 19.772 11.512 -8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 118 18.299 9.859 -7.151 1.00 0.00 H new ATOM 0 HG3 LYS A 118 18.876 8.581 -8.202 1.00 0.00 H new ATOM 0 HD2 LYS A 118 21.209 8.919 -7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 118 20.679 10.255 -6.373 1.00 0.00 H new ATOM 0 HE2 LYS A 118 20.795 8.296 -4.938 1.00 0.00 H new ATOM 0 HE3 LYS A 118 19.096 8.651 -5.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 19.772 6.262 -5.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 18.901 6.938 -6.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 20.583 6.739 -6.906 1.00 0.00 H new ATOM 1893 N LYS A 119 18.240 13.123 -10.338 1.00 0.00 N ATOM 1894 CA LYS A 119 18.463 14.292 -11.182 1.00 0.00 C ATOM 1895 C LYS A 119 19.955 14.545 -11.364 1.00 0.00 C ATOM 1896 O LYS A 119 20.702 14.239 -10.450 1.00 0.00 O ATOM 1897 CB LYS A 119 17.805 15.527 -10.561 1.00 0.00 C ATOM 1898 CG LYS A 119 18.321 15.726 -9.132 1.00 0.00 C ATOM 1899 CD LYS A 119 17.665 16.972 -8.530 1.00 0.00 C ATOM 1900 CE LYS A 119 18.145 17.166 -7.089 1.00 0.00 C ATOM 1901 NZ LYS A 119 17.528 18.401 -6.524 1.00 0.00 N ATOM 1902 OXT LYS A 119 20.330 15.038 -12.416 1.00 0.00 O ATOM 0 H LYS A 119 17.772 13.320 -9.453 1.00 0.00 H new ATOM 0 HA LYS A 119 18.016 14.099 -12.157 1.00 0.00 H new ATOM 0 HB2 LYS A 119 18.024 16.409 -11.163 1.00 0.00 H new ATOM 0 HB3 LYS A 119 16.722 15.408 -10.553 1.00 0.00 H new ATOM 0 HG2 LYS A 119 18.092 14.850 -8.525 1.00 0.00 H new ATOM 0 HG3 LYS A 119 19.405 15.837 -9.136 1.00 0.00 H new ATOM 0 HD2 LYS A 119 17.914 17.849 -9.127 1.00 0.00 H new ATOM 0 HD3 LYS A 119 16.580 16.869 -8.551 1.00 0.00 H new ATOM 0 HE2 LYS A 119 17.874 16.301 -6.484 1.00 0.00 H new ATOM 0 HE3 LYS A 119 19.232 17.245 -7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 17.853 18.535 -5.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 17.808 19.222 -7.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 16.492 18.308 -6.535 1.00 0.00 H new TER 1916 LYS A 119