USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 917 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 34 GLN : amide:sc=-0.00145 X(o=-0.0015,f=0) USER MOD Set 1.2: A 116 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 35 GLN : amide:sc= 0.234 X(o=0.019,f=-0.48) USER MOD Set 2.2: A 37 TYR OH : rot -128:sc= -0.215 USER MOD Set 3.1: A 17 GLN : amide:sc= -1.33 K(o=-1.3,f=-2.5!) USER MOD Set 3.2: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl -163:sc= -4.26! (180deg=-5.53!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -148:sc= -0.131 (180deg=-0.764) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -1.45 K(o=-1.4,f=-2.1) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.0498 X(o=-0.05,f=-0.39) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.076 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.414 K(o=-0.41,f=-3.4!) USER MOD Single : A 50 CYS SG : rot 26:sc= 0.29 USER MOD Single : A 51 MET CE :methyl 175:sc= -2.71 (180deg=-3.04) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 120:sc= -9.99! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -2.51! C(o=-2.5!,f=-4.1!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.412 K(o=-0.41,f=-3.2!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.203 K(o=-0.2,f=-1.2!) USER MOD Single : A 89 SER OG : rot -109:sc= -1.15 USER MOD Single : A 90 TYR OH : rot 165:sc= -0.305 USER MOD Single : A 93 MET CE :methyl -132:sc= -6.33! (180deg=-11.5!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc=-0.00528 X(o=-0.0053,f=0) USER MOD Single : A 100 MET CE :methyl -146:sc= -0.692 (180deg=-2.78!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 41:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.723 17.390 7.448 1.00 0.00 N ATOM 2 CA GLY A 1 -12.658 16.901 8.447 1.00 0.00 C ATOM 3 C GLY A 1 -11.929 16.509 9.734 1.00 0.00 C ATOM 4 O GLY A 1 -11.477 15.374 9.875 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.242 17.649 6.585 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.226 18.225 7.817 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.031 16.646 7.226 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.399 17.670 8.664 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.198 16.040 8.054 1.00 0.00 H new ATOM 8 N SER A 2 -11.839 17.471 10.641 1.00 0.00 N ATOM 9 CA SER A 2 -11.173 17.241 11.912 1.00 0.00 C ATOM 10 C SER A 2 -12.097 16.465 12.853 1.00 0.00 C ATOM 11 O SER A 2 -13.209 16.905 13.139 1.00 0.00 O ATOM 12 CB SER A 2 -10.746 18.562 12.557 1.00 0.00 C ATOM 13 OG SER A 2 -9.629 19.144 11.891 1.00 0.00 O ATOM 0 H SER A 2 -12.216 18.411 10.521 1.00 0.00 H new ATOM 0 HA SER A 2 -10.275 16.652 11.727 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.582 19.261 12.540 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.495 18.390 13.604 1.00 0.00 H new ATOM 0 HG SER A 2 -9.388 19.986 12.331 1.00 0.00 H new ATOM 19 N SER A 3 -11.601 15.324 13.309 1.00 0.00 N ATOM 20 CA SER A 3 -12.367 14.483 14.212 1.00 0.00 C ATOM 21 C SER A 3 -11.514 14.102 15.423 1.00 0.00 C ATOM 22 O SER A 3 -10.824 13.083 15.406 1.00 0.00 O ATOM 23 CB SER A 3 -12.869 13.225 13.500 1.00 0.00 C ATOM 24 OG SER A 3 -13.570 12.355 14.384 1.00 0.00 O ATOM 0 H SER A 3 -10.678 14.963 13.070 1.00 0.00 H new ATOM 0 HA SER A 3 -13.236 15.048 14.551 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.525 13.511 12.678 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.023 12.694 13.063 1.00 0.00 H new ATOM 0 HG SER A 3 -13.875 11.565 13.891 1.00 0.00 H new ATOM 30 N GLY A 4 -11.587 14.940 16.447 1.00 0.00 N ATOM 31 CA GLY A 4 -10.830 14.704 17.664 1.00 0.00 C ATOM 32 C GLY A 4 -9.561 15.558 17.694 1.00 0.00 C ATOM 33 O GLY A 4 -9.550 16.639 18.281 1.00 0.00 O ATOM 0 H GLY A 4 -12.160 15.784 16.458 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.448 14.934 18.532 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.565 13.649 17.733 1.00 0.00 H new ATOM 37 N SER A 5 -8.523 15.040 17.055 1.00 0.00 N ATOM 38 CA SER A 5 -7.251 15.742 17.001 1.00 0.00 C ATOM 39 C SER A 5 -6.540 15.436 15.682 1.00 0.00 C ATOM 40 O SER A 5 -6.582 14.306 15.197 1.00 0.00 O ATOM 41 CB SER A 5 -6.361 15.359 18.185 1.00 0.00 C ATOM 42 OG SER A 5 -5.620 16.472 18.677 1.00 0.00 O ATOM 0 H SER A 5 -8.536 14.143 16.570 1.00 0.00 H new ATOM 0 HA SER A 5 -7.448 16.812 17.060 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.978 14.952 18.986 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.672 14.571 17.881 1.00 0.00 H new ATOM 0 HG SER A 5 -5.066 16.187 19.433 1.00 0.00 H new ATOM 48 N SER A 6 -5.903 16.462 15.137 1.00 0.00 N ATOM 49 CA SER A 6 -5.184 16.317 13.883 1.00 0.00 C ATOM 50 C SER A 6 -4.399 15.004 13.879 1.00 0.00 C ATOM 51 O SER A 6 -3.415 14.863 14.604 1.00 0.00 O ATOM 52 CB SER A 6 -4.242 17.500 13.649 1.00 0.00 C ATOM 53 OG SER A 6 -4.770 18.424 12.701 1.00 0.00 O ATOM 0 H SER A 6 -5.870 17.398 15.541 1.00 0.00 H new ATOM 0 HA SER A 6 -5.911 16.300 13.071 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.063 18.013 14.594 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.278 17.132 13.298 1.00 0.00 H new ATOM 0 HG SER A 6 -4.140 19.165 12.581 1.00 0.00 H new ATOM 59 N GLY A 7 -4.863 14.077 13.055 1.00 0.00 N ATOM 60 CA GLY A 7 -4.216 12.780 12.947 1.00 0.00 C ATOM 61 C GLY A 7 -4.567 12.101 11.622 1.00 0.00 C ATOM 62 O GLY A 7 -5.171 12.717 10.745 1.00 0.00 O ATOM 0 H GLY A 7 -5.679 14.198 12.456 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.135 12.901 13.023 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.524 12.145 13.778 1.00 0.00 H new ATOM 66 N PRO A 8 -4.162 10.807 11.514 1.00 0.00 N ATOM 67 CA PRO A 8 -4.427 10.037 10.310 1.00 0.00 C ATOM 68 C PRO A 8 -5.898 9.620 10.239 1.00 0.00 C ATOM 69 O PRO A 8 -6.740 10.178 10.941 1.00 0.00 O ATOM 70 CB PRO A 8 -3.477 8.854 10.383 1.00 0.00 C ATOM 71 CG PRO A 8 -3.047 8.753 11.837 1.00 0.00 C ATOM 72 CD PRO A 8 -3.444 10.045 12.532 1.00 0.00 C ATOM 0 HA PRO A 8 -4.259 10.610 9.398 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.969 7.938 10.057 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.616 9.003 9.731 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.524 7.899 12.318 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.970 8.597 11.907 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.075 9.851 13.400 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.569 10.588 12.889 1.00 0.00 H new ATOM 80 N ILE A 9 -6.161 8.641 9.386 1.00 0.00 N ATOM 81 CA ILE A 9 -7.515 8.142 9.214 1.00 0.00 C ATOM 82 C ILE A 9 -7.512 6.618 9.345 1.00 0.00 C ATOM 83 O ILE A 9 -8.210 6.062 10.193 1.00 0.00 O ATOM 84 CB ILE A 9 -8.108 8.646 7.897 1.00 0.00 C ATOM 85 CG1 ILE A 9 -8.155 10.175 7.866 1.00 0.00 C ATOM 86 CG2 ILE A 9 -9.484 8.025 7.643 1.00 0.00 C ATOM 87 CD1 ILE A 9 -7.608 10.713 6.542 1.00 0.00 C ATOM 0 H ILE A 9 -5.460 8.180 8.806 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.167 8.528 9.998 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.455 8.328 7.084 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.182 10.514 8.004 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.572 10.577 8.695 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.884 8.400 6.701 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.390 6.940 7.592 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.159 8.292 8.456 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.653 11.802 6.546 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.574 10.393 6.419 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.208 10.328 5.717 1.00 0.00 H new ATOM 99 N LYS A 10 -6.720 5.984 8.492 1.00 0.00 N ATOM 100 CA LYS A 10 -6.618 4.535 8.502 1.00 0.00 C ATOM 101 C LYS A 10 -5.145 4.133 8.596 1.00 0.00 C ATOM 102 O LYS A 10 -4.324 4.575 7.793 1.00 0.00 O ATOM 103 CB LYS A 10 -7.342 3.939 7.293 1.00 0.00 C ATOM 104 CG LYS A 10 -7.189 2.417 7.258 1.00 0.00 C ATOM 105 CD LYS A 10 -8.544 1.725 7.418 1.00 0.00 C ATOM 106 CE LYS A 10 -8.413 0.452 8.256 1.00 0.00 C ATOM 107 NZ LYS A 10 -9.072 0.626 9.570 1.00 0.00 N ATOM 0 H LYS A 10 -6.143 6.448 7.790 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.118 4.124 9.379 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.399 4.201 7.332 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.941 4.370 6.376 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.732 2.116 6.315 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.517 2.097 8.055 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.251 2.406 7.892 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.949 1.479 6.436 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.862 -0.387 7.726 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.360 0.211 8.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.974 -0.247 10.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.625 1.414 10.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.081 0.834 9.428 1.00 0.00 H new ATOM 121 N MET A 11 -4.854 3.298 9.583 1.00 0.00 N ATOM 122 CA MET A 11 -3.494 2.831 9.792 1.00 0.00 C ATOM 123 C MET A 11 -3.452 1.308 9.930 1.00 0.00 C ATOM 124 O MET A 11 -4.347 0.710 10.524 1.00 0.00 O ATOM 125 CB MET A 11 -2.922 3.474 11.057 1.00 0.00 C ATOM 126 CG MET A 11 -3.240 4.970 11.104 1.00 0.00 C ATOM 127 SD MET A 11 -4.311 5.323 12.488 1.00 0.00 S ATOM 128 CE MET A 11 -5.833 5.670 11.622 1.00 0.00 C ATOM 0 H MET A 11 -5.537 2.933 10.247 1.00 0.00 H new ATOM 0 HA MET A 11 -2.896 3.115 8.926 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.336 2.983 11.938 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.842 3.327 11.088 1.00 0.00 H new ATOM 0 HG2 MET A 11 -2.317 5.544 11.192 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.719 5.278 10.175 1.00 0.00 H new ATOM 0 HE1 MET A 11 -6.519 6.195 12.287 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.623 6.293 10.753 1.00 0.00 H new ATOM 0 HE3 MET A 11 -6.288 4.734 11.297 1.00 0.00 H new ATOM 138 N GLY A 12 -2.403 0.724 9.370 1.00 0.00 N ATOM 139 CA GLY A 12 -2.232 -0.718 9.422 1.00 0.00 C ATOM 140 C GLY A 12 -0.951 -1.145 8.704 1.00 0.00 C ATOM 141 O GLY A 12 -0.351 -0.357 7.975 1.00 0.00 O ATOM 0 H GLY A 12 -1.662 1.224 8.878 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.197 -1.046 10.461 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.091 -1.206 8.962 1.00 0.00 H new ATOM 145 N TRP A 13 -0.569 -2.393 8.934 1.00 0.00 N ATOM 146 CA TRP A 13 0.630 -2.935 8.318 1.00 0.00 C ATOM 147 C TRP A 13 0.203 -3.777 7.114 1.00 0.00 C ATOM 148 O TRP A 13 -0.562 -4.729 7.258 1.00 0.00 O ATOM 149 CB TRP A 13 1.461 -3.721 9.334 1.00 0.00 C ATOM 150 CG TRP A 13 2.341 -2.846 10.229 1.00 0.00 C ATOM 151 CD1 TRP A 13 1.955 -1.884 11.077 1.00 0.00 C ATOM 152 CD2 TRP A 13 3.780 -2.894 10.330 1.00 0.00 C ATOM 153 NE1 TRP A 13 3.035 -1.309 11.715 1.00 0.00 N ATOM 154 CE2 TRP A 13 4.180 -1.943 11.247 1.00 0.00 C ATOM 155 CE3 TRP A 13 4.712 -3.713 9.669 1.00 0.00 C ATOM 156 CZ2 TRP A 13 5.520 -1.722 11.586 1.00 0.00 C ATOM 157 CZ3 TRP A 13 6.047 -3.479 10.019 1.00 0.00 C ATOM 158 CH2 TRP A 13 6.467 -2.526 10.940 1.00 0.00 C ATOM 0 H TRP A 13 -1.069 -3.044 9.539 1.00 0.00 H new ATOM 0 HA TRP A 13 1.281 -2.133 7.969 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.789 -4.306 9.963 1.00 0.00 H new ATOM 0 HB3 TRP A 13 2.095 -4.429 8.800 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.927 -1.595 11.241 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.000 -0.557 12.403 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.421 -4.463 8.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 5.808 -0.971 12.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.804 -4.081 9.540 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.518 -2.406 11.156 1.00 0.00 H new ATOM 169 N LEU A 14 0.718 -3.396 5.954 1.00 0.00 N ATOM 170 CA LEU A 14 0.400 -4.105 4.726 1.00 0.00 C ATOM 171 C LEU A 14 1.694 -4.608 4.083 1.00 0.00 C ATOM 172 O LEU A 14 2.757 -4.020 4.276 1.00 0.00 O ATOM 173 CB LEU A 14 -0.444 -3.224 3.802 1.00 0.00 C ATOM 174 CG LEU A 14 -1.940 -3.163 4.116 1.00 0.00 C ATOM 175 CD1 LEU A 14 -2.567 -1.887 3.550 1.00 0.00 C ATOM 176 CD2 LEU A 14 -2.656 -4.422 3.620 1.00 0.00 C ATOM 0 H LEU A 14 1.353 -2.606 5.839 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.212 -4.981 4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.045 -2.210 3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.322 -3.582 2.780 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.061 -3.129 5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.631 -1.868 3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.082 -1.016 3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.436 -1.866 2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.718 -4.353 3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.529 -4.512 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.232 -5.299 4.110 1.00 0.00 H new ATOM 188 N LYS A 15 1.561 -5.691 3.331 1.00 0.00 N ATOM 189 CA LYS A 15 2.706 -6.280 2.659 1.00 0.00 C ATOM 190 C LYS A 15 2.896 -5.606 1.299 1.00 0.00 C ATOM 191 O LYS A 15 2.059 -5.748 0.409 1.00 0.00 O ATOM 192 CB LYS A 15 2.555 -7.800 2.575 1.00 0.00 C ATOM 193 CG LYS A 15 3.448 -8.497 3.604 1.00 0.00 C ATOM 194 CD LYS A 15 3.540 -9.999 3.323 1.00 0.00 C ATOM 195 CE LYS A 15 3.132 -10.812 4.553 1.00 0.00 C ATOM 196 NZ LYS A 15 3.978 -12.020 4.679 1.00 0.00 N ATOM 0 H LYS A 15 0.678 -6.176 3.173 1.00 0.00 H new ATOM 0 HA LYS A 15 3.616 -6.104 3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.514 -8.076 2.745 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.815 -8.140 1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.445 -8.058 3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.050 -8.335 4.606 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.895 -10.256 2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.559 -10.257 3.034 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.227 -10.199 5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.084 -11.101 4.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.688 -12.561 5.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.867 -12.612 3.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.974 -11.738 4.776 1.00 0.00 H new ATOM 210 N LYS A 16 4.002 -4.885 1.180 1.00 0.00 N ATOM 211 CA LYS A 16 4.312 -4.188 -0.056 1.00 0.00 C ATOM 212 C LYS A 16 5.369 -4.978 -0.830 1.00 0.00 C ATOM 213 O LYS A 16 6.387 -5.377 -0.267 1.00 0.00 O ATOM 214 CB LYS A 16 4.714 -2.740 0.231 1.00 0.00 C ATOM 215 CG LYS A 16 5.197 -2.042 -1.042 1.00 0.00 C ATOM 216 CD LYS A 16 5.260 -0.526 -0.846 1.00 0.00 C ATOM 217 CE LYS A 16 6.603 0.033 -1.322 1.00 0.00 C ATOM 218 NZ LYS A 16 7.715 -0.562 -0.549 1.00 0.00 N ATOM 0 H LYS A 16 4.694 -4.769 1.920 1.00 0.00 H new ATOM 0 HA LYS A 16 3.429 -4.129 -0.692 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.864 -2.199 0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.503 -2.720 0.983 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.183 -2.418 -1.316 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.525 -2.278 -1.868 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.448 -0.050 -1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.115 -0.285 0.207 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.736 -0.178 -2.383 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.613 1.117 -1.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.485 0.132 -0.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.376 -0.829 0.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.067 -1.407 -1.042 1.00 0.00 H new ATOM 232 N GLN A 17 5.092 -5.180 -2.110 1.00 0.00 N ATOM 233 CA GLN A 17 6.007 -5.914 -2.967 1.00 0.00 C ATOM 234 C GLN A 17 7.305 -5.127 -3.157 1.00 0.00 C ATOM 235 O GLN A 17 7.277 -3.967 -3.564 1.00 0.00 O ATOM 236 CB GLN A 17 5.358 -6.234 -4.315 1.00 0.00 C ATOM 237 CG GLN A 17 6.103 -7.364 -5.029 1.00 0.00 C ATOM 238 CD GLN A 17 5.135 -8.457 -5.485 1.00 0.00 C ATOM 239 OE1 GLN A 17 4.939 -9.464 -4.824 1.00 0.00 O ATOM 240 NE2 GLN A 17 4.543 -8.204 -6.649 1.00 0.00 N ATOM 0 H GLN A 17 4.247 -4.848 -2.574 1.00 0.00 H new ATOM 0 HA GLN A 17 6.247 -6.860 -2.482 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.317 -6.519 -4.163 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.355 -5.342 -4.942 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.638 -6.964 -5.891 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.850 -7.791 -4.360 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.752 -7.341 -7.151 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.880 -8.873 -7.040 1.00 0.00 H new ATOM 249 N ARG A 18 8.411 -5.790 -2.852 1.00 0.00 N ATOM 250 CA ARG A 18 9.717 -5.166 -2.984 1.00 0.00 C ATOM 251 C ARG A 18 9.944 -4.709 -4.426 1.00 0.00 C ATOM 252 O ARG A 18 9.085 -4.904 -5.285 1.00 0.00 O ATOM 253 CB ARG A 18 10.832 -6.134 -2.582 1.00 0.00 C ATOM 254 CG ARG A 18 11.718 -5.526 -1.492 1.00 0.00 C ATOM 255 CD ARG A 18 13.160 -5.372 -1.981 1.00 0.00 C ATOM 256 NE ARG A 18 14.088 -5.376 -0.829 1.00 0.00 N ATOM 257 CZ ARG A 18 14.322 -4.313 -0.048 1.00 0.00 C ATOM 258 NH1 ARG A 18 13.696 -3.153 -0.291 1.00 0.00 N ATOM 259 NH2 ARG A 18 15.181 -4.409 0.976 1.00 0.00 N ATOM 0 H ARG A 18 8.430 -6.752 -2.514 1.00 0.00 H new ATOM 0 HA ARG A 18 9.741 -4.303 -2.318 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.397 -7.067 -2.224 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.438 -6.379 -3.454 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.324 -4.553 -1.198 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.696 -6.159 -0.605 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.410 -6.185 -2.663 1.00 0.00 H new ATOM 0 HD3 ARG A 18 13.266 -4.443 -2.540 1.00 0.00 H new ATOM 0 HE ARG A 18 14.581 -6.243 -0.616 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.042 -3.080 -1.070 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.874 -2.343 0.303 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.657 -5.292 1.161 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.359 -3.599 1.570 1.00 0.00 H new ATOM 273 N SER A 19 11.104 -4.109 -4.648 1.00 0.00 N ATOM 274 CA SER A 19 11.455 -3.622 -5.971 1.00 0.00 C ATOM 275 C SER A 19 11.201 -4.713 -7.014 1.00 0.00 C ATOM 276 O SER A 19 10.107 -4.803 -7.569 1.00 0.00 O ATOM 277 CB SER A 19 12.915 -3.168 -6.022 1.00 0.00 C ATOM 278 OG SER A 19 13.063 -1.804 -5.640 1.00 0.00 O ATOM 0 H SER A 19 11.814 -3.949 -3.933 1.00 0.00 H new ATOM 0 HA SER A 19 10.827 -2.760 -6.196 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.513 -3.796 -5.362 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.303 -3.306 -7.031 1.00 0.00 H new ATOM 0 HG SER A 19 14.009 -1.553 -5.684 1.00 0.00 H new ATOM 284 N ILE A 20 12.230 -5.514 -7.248 1.00 0.00 N ATOM 285 CA ILE A 20 12.132 -6.594 -8.214 1.00 0.00 C ATOM 286 C ILE A 20 12.797 -7.847 -7.641 1.00 0.00 C ATOM 287 O ILE A 20 13.790 -8.331 -8.182 1.00 0.00 O ATOM 288 CB ILE A 20 12.704 -6.159 -9.565 1.00 0.00 C ATOM 289 CG1 ILE A 20 12.256 -4.739 -9.918 1.00 0.00 C ATOM 290 CG2 ILE A 20 12.344 -7.162 -10.662 1.00 0.00 C ATOM 291 CD1 ILE A 20 12.385 -4.480 -11.420 1.00 0.00 C ATOM 0 H ILE A 20 13.136 -5.436 -6.785 1.00 0.00 H new ATOM 0 HA ILE A 20 11.087 -6.843 -8.401 1.00 0.00 H new ATOM 0 HB ILE A 20 13.791 -6.144 -9.487 1.00 0.00 H new ATOM 0 HG12 ILE A 20 11.221 -4.593 -9.608 1.00 0.00 H new ATOM 0 HG13 ILE A 20 12.859 -4.016 -9.368 1.00 0.00 H new ATOM 0 HG21 ILE A 20 12.763 -6.829 -11.612 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.752 -8.140 -10.409 1.00 0.00 H new ATOM 0 HG23 ILE A 20 11.260 -7.233 -10.749 1.00 0.00 H new ATOM 0 HD11 ILE A 20 12.060 -3.464 -11.643 1.00 0.00 H new ATOM 0 HD12 ILE A 20 13.425 -4.603 -11.722 1.00 0.00 H new ATOM 0 HD13 ILE A 20 11.762 -5.188 -11.966 1.00 0.00 H new ATOM 303 N VAL A 21 12.223 -8.337 -6.552 1.00 0.00 N ATOM 304 CA VAL A 21 12.748 -9.524 -5.899 1.00 0.00 C ATOM 305 C VAL A 21 11.607 -10.515 -5.658 1.00 0.00 C ATOM 306 O VAL A 21 11.788 -11.522 -4.975 1.00 0.00 O ATOM 307 CB VAL A 21 13.481 -9.134 -4.614 1.00 0.00 C ATOM 308 CG1 VAL A 21 14.087 -7.734 -4.732 1.00 0.00 C ATOM 309 CG2 VAL A 21 12.552 -9.229 -3.402 1.00 0.00 C ATOM 0 H VAL A 21 11.399 -7.934 -6.105 1.00 0.00 H new ATOM 0 HA VAL A 21 13.480 -10.019 -6.538 1.00 0.00 H new ATOM 0 HB VAL A 21 14.297 -9.841 -4.466 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.602 -7.481 -3.805 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.797 -7.713 -5.559 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.294 -7.009 -4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.098 -8.947 -2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.705 -8.556 -3.539 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.190 -10.252 -3.301 1.00 0.00 H new ATOM 319 N LYS A 22 10.457 -10.195 -6.234 1.00 0.00 N ATOM 320 CA LYS A 22 9.287 -11.045 -6.091 1.00 0.00 C ATOM 321 C LYS A 22 9.152 -11.478 -4.630 1.00 0.00 C ATOM 322 O LYS A 22 9.268 -12.662 -4.317 1.00 0.00 O ATOM 323 CB LYS A 22 9.350 -12.214 -7.076 1.00 0.00 C ATOM 324 CG LYS A 22 8.819 -11.802 -8.451 1.00 0.00 C ATOM 325 CD LYS A 22 7.311 -12.042 -8.551 1.00 0.00 C ATOM 326 CE LYS A 22 6.591 -10.795 -9.068 1.00 0.00 C ATOM 327 NZ LYS A 22 5.198 -10.757 -8.570 1.00 0.00 N ATOM 0 H LYS A 22 10.311 -9.359 -6.800 1.00 0.00 H new ATOM 0 HA LYS A 22 8.382 -10.493 -6.345 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.379 -12.561 -7.169 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.765 -13.050 -6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.036 -10.748 -8.628 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.333 -12.368 -9.228 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.116 -12.882 -9.218 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.917 -12.314 -7.572 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.123 -9.900 -8.745 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.594 -10.792 -10.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.724 -9.904 -8.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.689 -11.602 -8.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.201 -10.738 -7.530 1.00 0.00 H new ATOM 341 N ASN A 23 8.910 -10.496 -3.774 1.00 0.00 N ATOM 342 CA ASN A 23 8.758 -10.762 -2.354 1.00 0.00 C ATOM 343 C ASN A 23 7.734 -9.790 -1.764 1.00 0.00 C ATOM 344 O ASN A 23 7.305 -8.852 -2.435 1.00 0.00 O ATOM 345 CB ASN A 23 10.081 -10.561 -1.612 1.00 0.00 C ATOM 346 CG ASN A 23 10.031 -11.197 -0.221 1.00 0.00 C ATOM 347 OD1 ASN A 23 9.819 -10.538 0.784 1.00 0.00 O ATOM 348 ND2 ASN A 23 10.238 -12.511 -0.219 1.00 0.00 N ATOM 0 H ASN A 23 8.815 -9.515 -4.037 1.00 0.00 H new ATOM 0 HA ASN A 23 8.431 -11.795 -2.238 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.896 -11.000 -2.188 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.293 -9.496 -1.521 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.225 -13.028 0.660 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.410 -13.002 -1.097 1.00 0.00 H new ATOM 355 N TRP A 24 7.371 -10.048 -0.516 1.00 0.00 N ATOM 356 CA TRP A 24 6.405 -9.208 0.171 1.00 0.00 C ATOM 357 C TRP A 24 7.027 -8.756 1.493 1.00 0.00 C ATOM 358 O TRP A 24 7.418 -9.584 2.315 1.00 0.00 O ATOM 359 CB TRP A 24 5.074 -9.940 0.356 1.00 0.00 C ATOM 360 CG TRP A 24 4.414 -10.371 -0.955 1.00 0.00 C ATOM 361 CD1 TRP A 24 4.605 -11.506 -1.641 1.00 0.00 C ATOM 362 CD2 TRP A 24 3.442 -9.623 -1.715 1.00 0.00 C ATOM 363 NE1 TRP A 24 3.831 -11.544 -2.783 1.00 0.00 N ATOM 364 CE2 TRP A 24 3.101 -10.363 -2.829 1.00 0.00 C ATOM 365 CE3 TRP A 24 2.869 -8.362 -1.469 1.00 0.00 C ATOM 366 CZ2 TRP A 24 2.176 -9.926 -3.785 1.00 0.00 C ATOM 367 CZ3 TRP A 24 1.947 -7.941 -2.434 1.00 0.00 C ATOM 368 CH2 TRP A 24 1.593 -8.673 -3.561 1.00 0.00 C ATOM 0 H TRP A 24 7.729 -10.827 0.037 1.00 0.00 H new ATOM 0 HA TRP A 24 6.171 -8.325 -0.424 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.239 -10.822 0.975 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.387 -9.292 0.901 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.280 -12.293 -1.338 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.801 -12.300 -3.467 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.121 -7.766 -0.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.926 -10.524 -4.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.477 -6.979 -2.293 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.872 -8.277 -4.261 1.00 0.00 H new ATOM 379 N GLN A 25 7.101 -7.443 1.659 1.00 0.00 N ATOM 380 CA GLN A 25 7.669 -6.872 2.867 1.00 0.00 C ATOM 381 C GLN A 25 6.575 -6.210 3.707 1.00 0.00 C ATOM 382 O GLN A 25 5.902 -5.291 3.243 1.00 0.00 O ATOM 383 CB GLN A 25 8.781 -5.876 2.532 1.00 0.00 C ATOM 384 CG GLN A 25 10.006 -6.593 1.961 1.00 0.00 C ATOM 385 CD GLN A 25 11.146 -6.628 2.981 1.00 0.00 C ATOM 386 OE1 GLN A 25 12.058 -5.818 2.960 1.00 0.00 O ATOM 387 NE2 GLN A 25 11.044 -7.610 3.873 1.00 0.00 N ATOM 0 H GLN A 25 6.776 -6.759 0.976 1.00 0.00 H new ATOM 0 HA GLN A 25 8.112 -7.678 3.453 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.414 -5.145 1.811 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.063 -5.325 3.429 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.737 -7.610 1.676 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.339 -6.086 1.055 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.254 -8.254 3.834 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.756 -7.718 4.596 1.00 0.00 H new ATOM 396 N GLN A 26 6.431 -6.703 4.929 1.00 0.00 N ATOM 397 CA GLN A 26 5.430 -6.171 5.837 1.00 0.00 C ATOM 398 C GLN A 26 5.787 -4.739 6.240 1.00 0.00 C ATOM 399 O GLN A 26 6.616 -4.526 7.124 1.00 0.00 O ATOM 400 CB GLN A 26 5.278 -7.065 7.070 1.00 0.00 C ATOM 401 CG GLN A 26 3.863 -6.970 7.645 1.00 0.00 C ATOM 402 CD GLN A 26 3.138 -8.313 7.541 1.00 0.00 C ATOM 403 OE1 GLN A 26 3.673 -9.363 7.855 1.00 0.00 O ATOM 404 NE2 GLN A 26 1.892 -8.221 7.083 1.00 0.00 N ATOM 0 H GLN A 26 6.991 -7.465 5.311 1.00 0.00 H new ATOM 0 HA GLN A 26 4.471 -6.154 5.320 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.497 -8.099 6.803 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.003 -6.771 7.829 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.911 -6.658 8.688 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.299 -6.206 7.109 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.505 -7.310 6.838 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.324 -9.062 6.977 1.00 0.00 H new ATOM 413 N ARG A 27 5.143 -3.793 5.572 1.00 0.00 N ATOM 414 CA ARG A 27 5.381 -2.386 5.849 1.00 0.00 C ATOM 415 C ARG A 27 4.193 -1.785 6.602 1.00 0.00 C ATOM 416 O ARG A 27 3.136 -2.407 6.701 1.00 0.00 O ATOM 417 CB ARG A 27 5.608 -1.601 4.556 1.00 0.00 C ATOM 418 CG ARG A 27 6.815 -0.669 4.685 1.00 0.00 C ATOM 419 CD ARG A 27 8.091 -1.354 4.193 1.00 0.00 C ATOM 420 NE ARG A 27 8.771 -2.029 5.321 1.00 0.00 N ATOM 421 CZ ARG A 27 9.987 -2.587 5.240 1.00 0.00 C ATOM 422 NH1 ARG A 27 10.663 -2.554 4.085 1.00 0.00 N ATOM 423 NH2 ARG A 27 10.525 -3.177 6.316 1.00 0.00 N ATOM 0 H ARG A 27 4.456 -3.973 4.839 1.00 0.00 H new ATOM 0 HA ARG A 27 6.278 -2.316 6.465 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.765 -2.293 3.729 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.718 -1.018 4.319 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.641 0.240 4.109 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.937 -0.368 5.726 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.848 -2.080 3.417 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.758 -0.619 3.743 1.00 0.00 H new ATOM 0 HE ARG A 27 8.284 -2.072 6.216 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.253 -2.104 3.267 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.588 -2.979 4.023 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.009 -3.201 7.196 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.450 -3.602 6.255 1.00 0.00 H new ATOM 437 N TYR A 28 4.405 -0.581 7.113 1.00 0.00 N ATOM 438 CA TYR A 28 3.364 0.112 7.854 1.00 0.00 C ATOM 439 C TYR A 28 2.788 1.270 7.037 1.00 0.00 C ATOM 440 O TYR A 28 3.451 2.288 6.843 1.00 0.00 O ATOM 441 CB TYR A 28 4.041 0.673 9.106 1.00 0.00 C ATOM 442 CG TYR A 28 3.082 1.376 10.069 1.00 0.00 C ATOM 443 CD1 TYR A 28 1.743 1.041 10.077 1.00 0.00 C ATOM 444 CD2 TYR A 28 3.555 2.344 10.931 1.00 0.00 C ATOM 445 CE1 TYR A 28 0.840 1.702 10.983 1.00 0.00 C ATOM 446 CE2 TYR A 28 2.653 3.005 11.837 1.00 0.00 C ATOM 447 CZ TYR A 28 1.340 2.651 11.819 1.00 0.00 C ATOM 448 OH TYR A 28 0.487 3.275 12.675 1.00 0.00 O ATOM 0 H TYR A 28 5.282 -0.067 7.029 1.00 0.00 H new ATOM 0 HA TYR A 28 2.544 -0.566 8.090 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.538 -0.141 9.634 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.816 1.377 8.803 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.372 0.283 9.403 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.603 2.606 10.926 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.210 1.450 10.998 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.011 3.765 12.516 1.00 0.00 H new ATOM 0 HH TYR A 28 0.982 3.928 13.212 1.00 0.00 H new ATOM 458 N PHE A 29 1.560 1.076 6.580 1.00 0.00 N ATOM 459 CA PHE A 29 0.887 2.092 5.788 1.00 0.00 C ATOM 460 C PHE A 29 -0.099 2.890 6.644 1.00 0.00 C ATOM 461 O PHE A 29 -0.835 2.317 7.445 1.00 0.00 O ATOM 462 CB PHE A 29 0.115 1.362 4.687 1.00 0.00 C ATOM 463 CG PHE A 29 0.973 0.963 3.485 1.00 0.00 C ATOM 464 CD1 PHE A 29 1.641 -0.222 3.490 1.00 0.00 C ATOM 465 CD2 PHE A 29 1.067 1.792 2.411 1.00 0.00 C ATOM 466 CE1 PHE A 29 2.437 -0.592 2.374 1.00 0.00 C ATOM 467 CE2 PHE A 29 1.863 1.422 1.296 1.00 0.00 C ATOM 468 CZ PHE A 29 2.532 0.237 1.301 1.00 0.00 C ATOM 0 H PHE A 29 1.013 0.230 6.743 1.00 0.00 H new ATOM 0 HA PHE A 29 1.618 2.789 5.378 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.340 0.466 5.109 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.699 2.001 4.343 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.566 -0.881 4.342 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.536 2.732 2.407 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.967 -1.533 2.378 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.938 2.081 0.444 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.138 -0.045 0.453 1.00 0.00 H new ATOM 478 N VAL A 30 -0.081 4.200 6.444 1.00 0.00 N ATOM 479 CA VAL A 30 -0.965 5.082 7.187 1.00 0.00 C ATOM 480 C VAL A 30 -1.677 6.022 6.212 1.00 0.00 C ATOM 481 O VAL A 30 -1.054 6.568 5.303 1.00 0.00 O ATOM 482 CB VAL A 30 -0.175 5.826 8.266 1.00 0.00 C ATOM 483 CG1 VAL A 30 -0.878 7.125 8.662 1.00 0.00 C ATOM 484 CG2 VAL A 30 0.058 4.934 9.487 1.00 0.00 C ATOM 0 H VAL A 30 0.532 4.671 5.778 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.733 4.507 7.704 1.00 0.00 H new ATOM 0 HB VAL A 30 0.798 6.086 7.850 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.296 7.634 9.430 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.969 7.770 7.788 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.871 6.898 9.050 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.622 5.486 10.239 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.902 4.630 9.904 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.621 4.049 9.189 1.00 0.00 H new ATOM 494 N LEU A 31 -2.973 6.182 6.435 1.00 0.00 N ATOM 495 CA LEU A 31 -3.777 7.047 5.588 1.00 0.00 C ATOM 496 C LEU A 31 -4.056 8.359 6.325 1.00 0.00 C ATOM 497 O LEU A 31 -4.747 8.369 7.342 1.00 0.00 O ATOM 498 CB LEU A 31 -5.042 6.320 5.127 1.00 0.00 C ATOM 499 CG LEU A 31 -5.435 6.523 3.662 1.00 0.00 C ATOM 500 CD1 LEU A 31 -6.118 5.275 3.100 1.00 0.00 C ATOM 501 CD2 LEU A 31 -6.300 7.774 3.495 1.00 0.00 C ATOM 0 H LEU A 31 -3.487 5.727 7.190 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.233 7.301 4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.908 5.253 5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.873 6.644 5.754 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.525 6.681 3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.387 5.446 2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.436 4.427 3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.018 5.062 3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.565 7.895 2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.208 7.671 4.089 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.744 8.649 3.832 1.00 0.00 H new ATOM 513 N ARG A 32 -3.504 9.434 5.782 1.00 0.00 N ATOM 514 CA ARG A 32 -3.685 10.749 6.375 1.00 0.00 C ATOM 515 C ARG A 32 -4.075 11.766 5.301 1.00 0.00 C ATOM 516 O ARG A 32 -3.479 11.799 4.226 1.00 0.00 O ATOM 517 CB ARG A 32 -2.407 11.219 7.072 1.00 0.00 C ATOM 518 CG ARG A 32 -2.691 12.403 7.998 1.00 0.00 C ATOM 519 CD ARG A 32 -1.805 12.350 9.244 1.00 0.00 C ATOM 520 NE ARG A 32 -1.523 13.721 9.724 1.00 0.00 N ATOM 521 CZ ARG A 32 -1.156 14.018 10.978 1.00 0.00 C ATOM 522 NH1 ARG A 32 -1.025 13.042 11.886 1.00 0.00 N ATOM 523 NH2 ARG A 32 -0.920 15.291 11.323 1.00 0.00 N ATOM 0 H ARG A 32 -2.931 9.422 4.938 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.482 10.673 7.115 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.979 10.398 7.647 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.666 11.506 6.326 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.517 13.337 7.464 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.740 12.395 8.293 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.300 11.776 10.028 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.871 11.837 9.014 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.614 14.488 9.058 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.205 12.073 11.623 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.746 13.268 12.841 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.020 16.034 10.631 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.641 15.517 12.278 1.00 0.00 H new ATOM 537 N ALA A 33 -5.075 12.571 5.629 1.00 0.00 N ATOM 538 CA ALA A 33 -5.552 13.587 4.706 1.00 0.00 C ATOM 539 C ALA A 33 -5.737 12.965 3.321 1.00 0.00 C ATOM 540 O ALA A 33 -6.132 11.806 3.205 1.00 0.00 O ATOM 541 CB ALA A 33 -4.574 14.763 4.692 1.00 0.00 C ATOM 0 H ALA A 33 -5.568 12.540 6.521 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.520 13.972 5.026 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.931 15.525 4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.501 15.188 5.693 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.591 14.415 4.373 1.00 0.00 H new ATOM 547 N GLN A 34 -5.441 13.762 2.305 1.00 0.00 N ATOM 548 CA GLN A 34 -5.570 13.304 0.932 1.00 0.00 C ATOM 549 C GLN A 34 -4.233 12.757 0.428 1.00 0.00 C ATOM 550 O GLN A 34 -3.941 12.824 -0.765 1.00 0.00 O ATOM 551 CB GLN A 34 -6.080 14.426 0.025 1.00 0.00 C ATOM 552 CG GLN A 34 -7.440 14.940 0.502 1.00 0.00 C ATOM 553 CD GLN A 34 -7.736 16.326 -0.076 1.00 0.00 C ATOM 554 OE1 GLN A 34 -8.539 16.492 -0.979 1.00 0.00 O ATOM 555 NE2 GLN A 34 -7.043 17.308 0.493 1.00 0.00 N ATOM 0 H GLN A 34 -5.112 14.722 2.405 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.304 12.498 0.905 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.361 15.245 0.014 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.163 14.061 -0.999 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.222 14.242 0.202 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.454 14.986 1.591 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.386 17.099 1.245 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.168 18.270 0.177 1.00 0.00 H new ATOM 564 N GLN A 35 -3.457 12.228 1.362 1.00 0.00 N ATOM 565 CA GLN A 35 -2.158 11.669 1.027 1.00 0.00 C ATOM 566 C GLN A 35 -1.959 10.327 1.733 1.00 0.00 C ATOM 567 O GLN A 35 -2.370 10.158 2.880 1.00 0.00 O ATOM 568 CB GLN A 35 -1.034 12.646 1.380 1.00 0.00 C ATOM 569 CG GLN A 35 -0.584 13.432 0.147 1.00 0.00 C ATOM 570 CD GLN A 35 0.681 14.240 0.444 1.00 0.00 C ATOM 571 OE1 GLN A 35 0.714 15.092 1.316 1.00 0.00 O ATOM 572 NE2 GLN A 35 1.717 13.927 -0.329 1.00 0.00 N ATOM 0 H GLN A 35 -3.702 12.174 2.351 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.124 11.499 -0.049 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.376 13.336 2.151 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.188 12.098 1.795 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.396 12.745 -0.678 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.382 14.103 -0.172 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.622 13.203 -1.041 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.607 14.411 -0.210 1.00 0.00 H new ATOM 581 N LEU A 36 -1.329 9.406 1.019 1.00 0.00 N ATOM 582 CA LEU A 36 -1.071 8.083 1.563 1.00 0.00 C ATOM 583 C LEU A 36 0.416 7.956 1.898 1.00 0.00 C ATOM 584 O LEU A 36 1.270 8.167 1.038 1.00 0.00 O ATOM 585 CB LEU A 36 -1.581 7.002 0.608 1.00 0.00 C ATOM 586 CG LEU A 36 -1.386 5.556 1.066 1.00 0.00 C ATOM 587 CD1 LEU A 36 0.099 5.198 1.133 1.00 0.00 C ATOM 588 CD2 LEU A 36 -2.098 5.302 2.397 1.00 0.00 C ATOM 0 H LEU A 36 -0.989 9.550 0.068 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.621 7.939 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.645 7.168 0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.081 7.128 -0.352 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.842 4.898 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.210 4.165 1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.546 5.315 0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.601 5.859 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.944 4.266 2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.693 5.968 3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.165 5.491 2.281 1.00 0.00 H new ATOM 600 N TYR A 37 0.681 7.611 3.149 1.00 0.00 N ATOM 601 CA TYR A 37 2.050 7.452 3.608 1.00 0.00 C ATOM 602 C TYR A 37 2.313 6.016 4.064 1.00 0.00 C ATOM 603 O TYR A 37 1.376 5.264 4.330 1.00 0.00 O ATOM 604 CB TYR A 37 2.205 8.391 4.806 1.00 0.00 C ATOM 605 CG TYR A 37 1.653 9.798 4.569 1.00 0.00 C ATOM 606 CD1 TYR A 37 0.291 10.019 4.595 1.00 0.00 C ATOM 607 CD2 TYR A 37 2.518 10.847 4.330 1.00 0.00 C ATOM 608 CE1 TYR A 37 -0.228 11.344 4.371 1.00 0.00 C ATOM 609 CE2 TYR A 37 1.999 12.172 4.106 1.00 0.00 C ATOM 610 CZ TYR A 37 0.652 12.355 4.138 1.00 0.00 C ATOM 611 OH TYR A 37 0.161 13.605 3.927 1.00 0.00 O ATOM 0 H TYR A 37 -0.030 7.437 3.860 1.00 0.00 H new ATOM 0 HA TYR A 37 2.752 7.678 2.805 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.698 7.953 5.666 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.262 8.465 5.062 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.386 9.199 4.783 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.584 10.674 4.311 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.292 11.531 4.388 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.665 13.001 3.917 1.00 0.00 H new ATOM 0 HH TYR A 37 0.541 13.971 3.101 1.00 0.00 H new ATOM 621 N TYR A 38 3.592 5.678 4.141 1.00 0.00 N ATOM 622 CA TYR A 38 3.990 4.344 4.560 1.00 0.00 C ATOM 623 C TYR A 38 5.436 4.335 5.060 1.00 0.00 C ATOM 624 O TYR A 38 6.342 4.778 4.356 1.00 0.00 O ATOM 625 CB TYR A 38 3.888 3.463 3.314 1.00 0.00 C ATOM 626 CG TYR A 38 5.154 3.450 2.456 1.00 0.00 C ATOM 627 CD1 TYR A 38 6.254 2.720 2.860 1.00 0.00 C ATOM 628 CD2 TYR A 38 5.197 4.167 1.278 1.00 0.00 C ATOM 629 CE1 TYR A 38 7.446 2.708 2.052 1.00 0.00 C ATOM 630 CE2 TYR A 38 6.389 4.155 0.470 1.00 0.00 C ATOM 631 CZ TYR A 38 7.455 3.427 0.897 1.00 0.00 C ATOM 632 OH TYR A 38 8.581 3.415 0.134 1.00 0.00 O ATOM 0 H TYR A 38 4.366 6.305 3.920 1.00 0.00 H new ATOM 0 HA TYR A 38 3.356 3.992 5.374 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.659 2.442 3.621 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.052 3.808 2.705 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.221 2.158 3.782 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.336 4.738 0.962 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.313 2.141 2.356 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.435 4.712 -0.454 1.00 0.00 H new ATOM 0 HH TYR A 38 8.443 3.971 -0.661 1.00 0.00 H new ATOM 642 N TYR A 39 5.606 3.826 6.271 1.00 0.00 N ATOM 643 CA TYR A 39 6.926 3.754 6.874 1.00 0.00 C ATOM 644 C TYR A 39 7.427 2.309 6.926 1.00 0.00 C ATOM 645 O TYR A 39 6.633 1.378 7.056 1.00 0.00 O ATOM 646 CB TYR A 39 6.768 4.278 8.302 1.00 0.00 C ATOM 647 CG TYR A 39 6.048 5.625 8.395 1.00 0.00 C ATOM 648 CD1 TYR A 39 4.669 5.670 8.423 1.00 0.00 C ATOM 649 CD2 TYR A 39 6.778 6.795 8.449 1.00 0.00 C ATOM 650 CE1 TYR A 39 3.992 6.938 8.510 1.00 0.00 C ATOM 651 CE2 TYR A 39 6.101 8.063 8.536 1.00 0.00 C ATOM 652 CZ TYR A 39 4.741 8.072 8.562 1.00 0.00 C ATOM 653 OH TYR A 39 4.101 9.269 8.644 1.00 0.00 O ATOM 0 H TYR A 39 4.851 3.459 6.851 1.00 0.00 H new ATOM 0 HA TYR A 39 7.644 4.333 6.294 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.218 3.542 8.889 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.755 4.373 8.754 1.00 0.00 H new ATOM 0 HD1 TYR A 39 4.098 4.755 8.380 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.857 6.760 8.426 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.913 6.987 8.533 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.660 8.986 8.580 1.00 0.00 H new ATOM 0 HH TYR A 39 4.762 9.992 8.675 1.00 0.00 H new ATOM 663 N LYS A 40 8.740 2.167 6.822 1.00 0.00 N ATOM 664 CA LYS A 40 9.355 0.851 6.855 1.00 0.00 C ATOM 665 C LYS A 40 9.241 0.276 8.268 1.00 0.00 C ATOM 666 O LYS A 40 9.494 -0.909 8.482 1.00 0.00 O ATOM 667 CB LYS A 40 10.792 0.918 6.333 1.00 0.00 C ATOM 668 CG LYS A 40 11.650 1.838 7.204 1.00 0.00 C ATOM 669 CD LYS A 40 12.812 1.068 7.835 1.00 0.00 C ATOM 670 CE LYS A 40 14.123 1.357 7.102 1.00 0.00 C ATOM 671 NZ LYS A 40 14.494 0.216 6.235 1.00 0.00 N ATOM 0 H LYS A 40 9.395 2.941 6.715 1.00 0.00 H new ATOM 0 HA LYS A 40 8.829 0.168 6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.224 -0.082 6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.793 1.280 5.305 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.038 2.659 6.600 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.035 2.281 7.987 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.909 1.345 8.885 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.603 -0.001 7.806 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.019 2.260 6.500 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.917 1.545 7.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.386 0.428 5.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.613 -0.638 6.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.743 0.055 5.534 1.00 0.00 H new ATOM 685 N ASP A 41 8.861 1.141 9.197 1.00 0.00 N ATOM 686 CA ASP A 41 8.711 0.734 10.583 1.00 0.00 C ATOM 687 C ASP A 41 7.430 1.347 11.154 1.00 0.00 C ATOM 688 O ASP A 41 6.643 1.943 10.421 1.00 0.00 O ATOM 689 CB ASP A 41 9.887 1.221 11.431 1.00 0.00 C ATOM 690 CG ASP A 41 11.217 1.341 10.684 1.00 0.00 C ATOM 691 OD1 ASP A 41 11.877 0.290 10.529 1.00 0.00 O ATOM 692 OD2 ASP A 41 11.544 2.480 10.286 1.00 0.00 O ATOM 0 H ASP A 41 8.652 2.123 9.016 1.00 0.00 H new ATOM 0 HA ASP A 41 8.673 -0.355 10.612 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.634 2.195 11.851 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.019 0.537 12.269 1.00 0.00 H new ATOM 697 N GLU A 42 7.262 1.178 12.458 1.00 0.00 N ATOM 698 CA GLU A 42 6.091 1.707 13.135 1.00 0.00 C ATOM 699 C GLU A 42 6.245 3.212 13.365 1.00 0.00 C ATOM 700 O GLU A 42 5.358 3.991 13.018 1.00 0.00 O ATOM 701 CB GLU A 42 5.843 0.974 14.455 1.00 0.00 C ATOM 702 CG GLU A 42 4.652 1.577 15.202 1.00 0.00 C ATOM 703 CD GLU A 42 4.903 1.595 16.711 1.00 0.00 C ATOM 704 OE1 GLU A 42 5.620 2.517 17.157 1.00 0.00 O ATOM 705 OE2 GLU A 42 4.372 0.686 17.386 1.00 0.00 O ATOM 0 H GLU A 42 7.917 0.682 13.063 1.00 0.00 H new ATOM 0 HA GLU A 42 5.222 1.543 12.497 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.657 -0.082 14.259 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.735 1.030 15.079 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.472 2.592 14.848 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.753 1.000 14.986 1.00 0.00 H new ATOM 712 N GLU A 43 7.377 3.577 13.948 1.00 0.00 N ATOM 713 CA GLU A 43 7.659 4.975 14.228 1.00 0.00 C ATOM 714 C GLU A 43 8.089 5.696 12.948 1.00 0.00 C ATOM 715 O GLU A 43 7.253 6.237 12.226 1.00 0.00 O ATOM 716 CB GLU A 43 8.724 5.112 15.318 1.00 0.00 C ATOM 717 CG GLU A 43 8.090 5.494 16.657 1.00 0.00 C ATOM 718 CD GLU A 43 9.048 5.211 17.817 1.00 0.00 C ATOM 719 OE1 GLU A 43 10.128 5.839 17.826 1.00 0.00 O ATOM 720 OE2 GLU A 43 8.677 4.374 18.668 1.00 0.00 O ATOM 0 H GLU A 43 8.110 2.929 14.234 1.00 0.00 H new ATOM 0 HA GLU A 43 6.746 5.443 14.597 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.266 4.172 15.423 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.452 5.869 15.027 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.824 6.551 16.649 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.166 4.934 16.799 1.00 0.00 H new ATOM 727 N ASP A 44 9.391 5.680 12.707 1.00 0.00 N ATOM 728 CA ASP A 44 9.942 6.326 11.528 1.00 0.00 C ATOM 729 C ASP A 44 9.209 7.648 11.287 1.00 0.00 C ATOM 730 O ASP A 44 8.246 7.698 10.523 1.00 0.00 O ATOM 731 CB ASP A 44 9.760 5.452 10.285 1.00 0.00 C ATOM 732 CG ASP A 44 10.852 5.601 9.224 1.00 0.00 C ATOM 733 OD1 ASP A 44 12.033 5.437 9.599 1.00 0.00 O ATOM 734 OD2 ASP A 44 10.481 5.875 8.063 1.00 0.00 O ATOM 0 H ASP A 44 10.081 5.230 13.308 1.00 0.00 H new ATOM 0 HA ASP A 44 11.006 6.492 11.700 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.717 4.408 10.596 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.798 5.689 9.830 1.00 0.00 H new ATOM 739 N THR A 45 9.694 8.686 11.953 1.00 0.00 N ATOM 740 CA THR A 45 9.097 10.004 11.820 1.00 0.00 C ATOM 741 C THR A 45 9.025 10.411 10.347 1.00 0.00 C ATOM 742 O THR A 45 7.954 10.748 9.845 1.00 0.00 O ATOM 743 CB THR A 45 9.906 10.977 12.681 1.00 0.00 C ATOM 744 OG1 THR A 45 11.237 10.852 12.189 1.00 0.00 O ATOM 745 CG2 THR A 45 10.004 10.527 14.140 1.00 0.00 C ATOM 0 H THR A 45 10.493 8.641 12.586 1.00 0.00 H new ATOM 0 HA THR A 45 8.067 10.010 12.176 1.00 0.00 H new ATOM 0 HB THR A 45 9.449 11.966 12.637 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.829 11.450 12.691 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.588 11.253 14.706 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.003 10.455 14.566 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.490 9.553 14.188 1.00 0.00 H new ATOM 753 N LYS A 46 10.178 10.368 9.697 1.00 0.00 N ATOM 754 CA LYS A 46 10.259 10.728 8.291 1.00 0.00 C ATOM 755 C LYS A 46 9.621 9.622 7.448 1.00 0.00 C ATOM 756 O LYS A 46 9.976 8.452 7.582 1.00 0.00 O ATOM 757 CB LYS A 46 11.704 11.042 7.901 1.00 0.00 C ATOM 758 CG LYS A 46 11.767 11.723 6.532 1.00 0.00 C ATOM 759 CD LYS A 46 11.907 13.239 6.680 1.00 0.00 C ATOM 760 CE LYS A 46 10.751 13.820 7.497 1.00 0.00 C ATOM 761 NZ LYS A 46 10.692 15.290 7.339 1.00 0.00 N ATOM 0 H LYS A 46 11.064 10.089 10.118 1.00 0.00 H new ATOM 0 HA LYS A 46 9.696 11.641 8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.155 11.688 8.654 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.287 10.121 7.880 1.00 0.00 H new ATOM 0 HG2 LYS A 46 12.611 11.330 5.965 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.866 11.491 5.965 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.854 13.475 7.165 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.930 13.704 5.694 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.810 13.376 7.173 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.878 13.566 8.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.902 15.668 7.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.584 15.711 7.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.549 15.526 6.336 1.00 0.00 H new ATOM 775 N PRO A 47 8.666 10.042 6.576 1.00 0.00 N ATOM 776 CA PRO A 47 7.975 9.100 5.712 1.00 0.00 C ATOM 777 C PRO A 47 8.877 8.650 4.561 1.00 0.00 C ATOM 778 O PRO A 47 9.796 9.368 4.169 1.00 0.00 O ATOM 779 CB PRO A 47 6.733 9.838 5.239 1.00 0.00 C ATOM 780 CG PRO A 47 7.008 11.314 5.479 1.00 0.00 C ATOM 781 CD PRO A 47 8.220 11.420 6.391 1.00 0.00 C ATOM 0 HA PRO A 47 7.703 8.178 6.227 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.541 9.643 4.184 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.851 9.511 5.789 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.195 11.826 4.535 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.143 11.794 5.936 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.002 12.032 5.941 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.960 11.883 7.343 1.00 0.00 H new ATOM 789 N GLN A 48 8.583 7.463 4.051 1.00 0.00 N ATOM 790 CA GLN A 48 9.356 6.908 2.952 1.00 0.00 C ATOM 791 C GLN A 48 8.856 7.464 1.618 1.00 0.00 C ATOM 792 O GLN A 48 9.631 8.026 0.845 1.00 0.00 O ATOM 793 CB GLN A 48 9.305 5.379 2.963 1.00 0.00 C ATOM 794 CG GLN A 48 10.349 4.802 3.922 1.00 0.00 C ATOM 795 CD GLN A 48 11.733 4.771 3.271 1.00 0.00 C ATOM 796 OE1 GLN A 48 12.234 5.763 2.769 1.00 0.00 O ATOM 797 NE2 GLN A 48 12.320 3.578 3.306 1.00 0.00 N ATOM 0 H GLN A 48 7.820 6.870 4.378 1.00 0.00 H new ATOM 0 HA GLN A 48 10.397 7.205 3.079 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.310 5.047 3.260 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.481 4.999 1.957 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.384 5.402 4.831 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.059 3.793 4.217 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.844 2.788 3.742 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.246 3.453 2.896 1.00 0.00 H new ATOM 806 N GLY A 49 7.563 7.287 1.387 1.00 0.00 N ATOM 807 CA GLY A 49 6.950 7.764 0.158 1.00 0.00 C ATOM 808 C GLY A 49 5.559 8.340 0.428 1.00 0.00 C ATOM 809 O GLY A 49 5.041 8.228 1.538 1.00 0.00 O ATOM 0 H GLY A 49 6.923 6.820 2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.582 8.527 -0.296 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.876 6.945 -0.558 1.00 0.00 H new ATOM 813 N CYS A 50 4.993 8.945 -0.607 1.00 0.00 N ATOM 814 CA CYS A 50 3.672 9.539 -0.496 1.00 0.00 C ATOM 815 C CYS A 50 2.942 9.340 -1.826 1.00 0.00 C ATOM 816 O CYS A 50 3.525 9.529 -2.892 1.00 0.00 O ATOM 817 CB CYS A 50 3.747 11.016 -0.102 1.00 0.00 C ATOM 818 SG CYS A 50 4.622 11.966 -1.399 1.00 0.00 S ATOM 0 H CYS A 50 5.426 9.036 -1.526 1.00 0.00 H new ATOM 0 HA CYS A 50 3.115 9.046 0.301 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.742 11.415 0.037 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.267 11.121 0.850 1.00 0.00 H new ATOM 0 HG CYS A 50 4.505 11.353 -2.539 1.00 0.00 H new ATOM 824 N MET A 51 1.678 8.959 -1.719 1.00 0.00 N ATOM 825 CA MET A 51 0.862 8.732 -2.900 1.00 0.00 C ATOM 826 C MET A 51 -0.430 9.549 -2.839 1.00 0.00 C ATOM 827 O MET A 51 -1.195 9.437 -1.883 1.00 0.00 O ATOM 828 CB MET A 51 0.522 7.244 -3.007 1.00 0.00 C ATOM 829 CG MET A 51 0.520 6.786 -4.467 1.00 0.00 C ATOM 830 SD MET A 51 2.109 6.091 -4.889 1.00 0.00 S ATOM 831 CE MET A 51 1.586 4.687 -5.860 1.00 0.00 C ATOM 0 H MET A 51 1.198 8.802 -0.833 1.00 0.00 H new ATOM 0 HA MET A 51 1.428 9.048 -3.776 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.247 6.660 -2.440 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.456 7.058 -2.562 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.264 6.045 -4.623 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.297 7.629 -5.121 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.460 4.189 -6.279 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.040 3.989 -5.226 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.938 5.025 -6.669 1.00 0.00 H new ATOM 841 N TYR A 52 -0.634 10.352 -3.873 1.00 0.00 N ATOM 842 CA TYR A 52 -1.820 11.187 -3.949 1.00 0.00 C ATOM 843 C TYR A 52 -3.055 10.355 -4.300 1.00 0.00 C ATOM 844 O TYR A 52 -3.205 9.907 -5.436 1.00 0.00 O ATOM 845 CB TYR A 52 -1.559 12.189 -5.076 1.00 0.00 C ATOM 846 CG TYR A 52 -2.174 13.569 -4.836 1.00 0.00 C ATOM 847 CD1 TYR A 52 -2.114 14.143 -3.582 1.00 0.00 C ATOM 848 CD2 TYR A 52 -2.789 14.241 -5.873 1.00 0.00 C ATOM 849 CE1 TYR A 52 -2.693 15.442 -3.356 1.00 0.00 C ATOM 850 CE2 TYR A 52 -3.367 15.540 -5.648 1.00 0.00 C ATOM 851 CZ TYR A 52 -3.291 16.076 -4.400 1.00 0.00 C ATOM 852 OH TYR A 52 -3.838 17.303 -4.187 1.00 0.00 O ATOM 0 H TYR A 52 0.002 10.442 -4.665 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.008 11.673 -2.992 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.483 12.300 -5.208 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.954 11.784 -6.008 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.633 13.618 -2.770 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.837 13.792 -6.854 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.653 15.902 -2.380 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.850 16.077 -6.451 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.229 17.636 -5.022 1.00 0.00 H new ATOM 862 N LEU A 53 -3.909 10.172 -3.303 1.00 0.00 N ATOM 863 CA LEU A 53 -5.126 9.402 -3.492 1.00 0.00 C ATOM 864 C LEU A 53 -5.945 10.019 -4.627 1.00 0.00 C ATOM 865 O LEU A 53 -6.475 9.303 -5.475 1.00 0.00 O ATOM 866 CB LEU A 53 -5.894 9.282 -2.174 1.00 0.00 C ATOM 867 CG LEU A 53 -5.085 8.805 -0.967 1.00 0.00 C ATOM 868 CD1 LEU A 53 -5.991 8.570 0.243 1.00 0.00 C ATOM 869 CD2 LEU A 53 -4.261 7.564 -1.315 1.00 0.00 C ATOM 0 H LEU A 53 -3.782 10.544 -2.362 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.888 8.381 -3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.323 10.255 -1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.726 8.594 -2.323 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.382 9.593 -0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.390 8.231 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.495 9.500 0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.734 7.811 -0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.695 7.246 -0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.928 6.761 -1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.572 7.800 -2.126 1.00 0.00 H new ATOM 881 N PRO A 54 -6.024 11.377 -4.606 1.00 0.00 N ATOM 882 CA PRO A 54 -6.770 12.099 -5.623 1.00 0.00 C ATOM 883 C PRO A 54 -6.002 12.130 -6.947 1.00 0.00 C ATOM 884 O PRO A 54 -5.202 13.033 -7.183 1.00 0.00 O ATOM 885 CB PRO A 54 -6.997 13.482 -5.036 1.00 0.00 C ATOM 886 CG PRO A 54 -5.979 13.634 -3.918 1.00 0.00 C ATOM 887 CD PRO A 54 -5.409 12.257 -3.617 1.00 0.00 C ATOM 0 HA PRO A 54 -7.720 11.623 -5.866 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.863 14.254 -5.793 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.013 13.582 -4.655 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.185 14.319 -4.215 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.448 14.056 -3.029 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.322 12.251 -3.703 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.650 11.942 -2.602 1.00 0.00 H new ATOM 895 N GLY A 55 -6.273 11.132 -7.775 1.00 0.00 N ATOM 896 CA GLY A 55 -5.619 11.033 -9.068 1.00 0.00 C ATOM 897 C GLY A 55 -4.909 9.686 -9.222 1.00 0.00 C ATOM 898 O GLY A 55 -4.241 9.444 -10.226 1.00 0.00 O ATOM 0 H GLY A 55 -6.937 10.384 -7.575 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.356 11.153 -9.862 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.898 11.843 -9.178 1.00 0.00 H new ATOM 902 N CYS A 56 -5.078 8.845 -8.212 1.00 0.00 N ATOM 903 CA CYS A 56 -4.462 7.529 -8.223 1.00 0.00 C ATOM 904 C CYS A 56 -5.467 6.534 -8.806 1.00 0.00 C ATOM 905 O CYS A 56 -6.622 6.882 -9.049 1.00 0.00 O ATOM 906 CB CYS A 56 -3.991 7.114 -6.828 1.00 0.00 C ATOM 907 SG CYS A 56 -2.394 6.228 -6.945 1.00 0.00 S ATOM 0 H CYS A 56 -5.633 9.049 -7.381 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.568 7.548 -8.846 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.882 7.995 -6.195 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.738 6.474 -6.358 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.490 6.871 -6.266 1.00 0.00 H new ATOM 913 N THR A 57 -4.991 5.315 -9.014 1.00 0.00 N ATOM 914 CA THR A 57 -5.833 4.266 -9.564 1.00 0.00 C ATOM 915 C THR A 57 -5.655 2.969 -8.773 1.00 0.00 C ATOM 916 O THR A 57 -4.682 2.244 -8.973 1.00 0.00 O ATOM 917 CB THR A 57 -5.499 4.122 -11.050 1.00 0.00 C ATOM 918 OG1 THR A 57 -6.103 5.263 -11.654 1.00 0.00 O ATOM 919 CG2 THR A 57 -6.213 2.935 -11.699 1.00 0.00 C ATOM 0 H THR A 57 -4.033 5.030 -8.811 1.00 0.00 H new ATOM 0 HA THR A 57 -6.889 4.520 -9.477 1.00 0.00 H new ATOM 0 HB THR A 57 -4.422 4.007 -11.170 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.934 5.250 -12.619 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.941 2.879 -12.753 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.916 2.014 -11.198 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.291 3.066 -11.609 1.00 0.00 H new ATOM 927 N ILE A 58 -6.610 2.716 -7.890 1.00 0.00 N ATOM 928 CA ILE A 58 -6.571 1.519 -7.067 1.00 0.00 C ATOM 929 C ILE A 58 -7.102 0.333 -7.875 1.00 0.00 C ATOM 930 O ILE A 58 -8.274 0.307 -8.248 1.00 0.00 O ATOM 931 CB ILE A 58 -7.316 1.749 -5.751 1.00 0.00 C ATOM 932 CG1 ILE A 58 -6.526 2.681 -4.829 1.00 0.00 C ATOM 933 CG2 ILE A 58 -7.652 0.420 -5.071 1.00 0.00 C ATOM 934 CD1 ILE A 58 -7.201 4.051 -4.725 1.00 0.00 C ATOM 0 H ILE A 58 -7.416 3.320 -7.727 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.544 1.282 -6.788 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.261 2.243 -5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.445 2.235 -3.838 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.511 2.799 -5.209 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.181 0.612 -4.138 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.283 -0.176 -5.730 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.731 -0.124 -4.860 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.620 4.694 -4.064 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.258 4.505 -5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.207 3.931 -4.322 1.00 0.00 H new ATOM 946 N LYS A 59 -6.214 -0.619 -8.121 1.00 0.00 N ATOM 947 CA LYS A 59 -6.579 -1.805 -8.877 1.00 0.00 C ATOM 948 C LYS A 59 -6.327 -3.048 -8.021 1.00 0.00 C ATOM 949 O LYS A 59 -5.409 -3.067 -7.203 1.00 0.00 O ATOM 950 CB LYS A 59 -5.851 -1.827 -10.222 1.00 0.00 C ATOM 951 CG LYS A 59 -6.006 -0.491 -10.952 1.00 0.00 C ATOM 952 CD LYS A 59 -6.187 -0.705 -12.456 1.00 0.00 C ATOM 953 CE LYS A 59 -5.055 -1.560 -13.028 1.00 0.00 C ATOM 954 NZ LYS A 59 -5.397 -2.030 -14.389 1.00 0.00 N ATOM 0 H LYS A 59 -5.243 -0.593 -7.810 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.642 -1.792 -9.116 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.793 -2.038 -10.064 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.248 -2.632 -10.841 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.865 0.048 -10.552 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.128 0.129 -10.773 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.145 -1.190 -12.645 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.212 0.259 -12.964 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.133 -0.980 -13.058 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.872 -2.415 -12.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.618 -2.609 -14.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.265 -2.601 -14.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.549 -1.211 -15.011 1.00 0.00 H new ATOM 968 N GLU A 60 -7.159 -4.056 -8.239 1.00 0.00 N ATOM 969 CA GLU A 60 -7.038 -5.300 -7.498 1.00 0.00 C ATOM 970 C GLU A 60 -6.343 -6.361 -8.353 1.00 0.00 C ATOM 971 O GLU A 60 -6.976 -7.000 -9.192 1.00 0.00 O ATOM 972 CB GLU A 60 -8.407 -5.790 -7.022 1.00 0.00 C ATOM 973 CG GLU A 60 -8.917 -4.942 -5.855 1.00 0.00 C ATOM 974 CD GLU A 60 -10.118 -5.606 -5.179 1.00 0.00 C ATOM 975 OE1 GLU A 60 -10.163 -6.855 -5.202 1.00 0.00 O ATOM 976 OE2 GLU A 60 -10.964 -4.850 -4.654 1.00 0.00 O ATOM 0 H GLU A 60 -7.920 -4.036 -8.918 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.427 -5.116 -6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.119 -5.747 -7.846 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.337 -6.833 -6.715 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.118 -4.800 -5.127 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.199 -3.953 -6.216 1.00 0.00 H new ATOM 983 N ILE A 61 -5.049 -6.517 -8.110 1.00 0.00 N ATOM 984 CA ILE A 61 -4.261 -7.490 -8.847 1.00 0.00 C ATOM 985 C ILE A 61 -4.604 -8.897 -8.352 1.00 0.00 C ATOM 986 O ILE A 61 -4.601 -9.153 -7.149 1.00 0.00 O ATOM 987 CB ILE A 61 -2.772 -7.152 -8.757 1.00 0.00 C ATOM 988 CG1 ILE A 61 -2.551 -5.638 -8.771 1.00 0.00 C ATOM 989 CG2 ILE A 61 -1.982 -7.857 -9.861 1.00 0.00 C ATOM 990 CD1 ILE A 61 -3.405 -4.970 -9.850 1.00 0.00 C ATOM 0 H ILE A 61 -4.527 -5.986 -7.413 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.508 -7.456 -9.908 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.395 -7.523 -7.804 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.800 -5.221 -7.795 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.498 -5.422 -8.950 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.926 -7.600 -9.774 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.102 -8.936 -9.762 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.354 -7.539 -10.835 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.229 -3.894 -9.839 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.136 -5.371 -10.827 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.459 -5.168 -9.654 1.00 0.00 H new ATOM 1002 N ALA A 62 -4.890 -9.772 -9.305 1.00 0.00 N ATOM 1003 CA ALA A 62 -5.233 -11.146 -8.982 1.00 0.00 C ATOM 1004 C ALA A 62 -4.132 -12.076 -9.493 1.00 0.00 C ATOM 1005 O ALA A 62 -3.482 -11.783 -10.496 1.00 0.00 O ATOM 1006 CB ALA A 62 -6.603 -11.483 -9.574 1.00 0.00 C ATOM 0 H ALA A 62 -4.891 -9.556 -10.302 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.302 -11.280 -7.903 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.860 -12.514 -9.332 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.355 -10.813 -9.156 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.571 -11.362 -10.657 1.00 0.00 H new ATOM 1012 N THR A 63 -3.956 -13.180 -8.781 1.00 0.00 N ATOM 1013 CA THR A 63 -2.944 -14.155 -9.151 1.00 0.00 C ATOM 1014 C THR A 63 -3.546 -15.231 -10.057 1.00 0.00 C ATOM 1015 O THR A 63 -4.674 -15.671 -9.839 1.00 0.00 O ATOM 1016 CB THR A 63 -2.335 -14.716 -7.864 1.00 0.00 C ATOM 1017 OG1 THR A 63 -1.416 -13.710 -7.448 1.00 0.00 O ATOM 1018 CG2 THR A 63 -1.457 -15.942 -8.118 1.00 0.00 C ATOM 0 H THR A 63 -4.497 -13.421 -7.950 1.00 0.00 H new ATOM 0 HA THR A 63 -2.145 -13.694 -9.732 1.00 0.00 H new ATOM 0 HB THR A 63 -3.133 -14.979 -7.169 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.977 -13.991 -6.618 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.050 -16.300 -7.172 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.055 -16.729 -8.577 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.639 -15.672 -8.786 1.00 0.00 H new ATOM 1026 N ASN A 64 -2.768 -15.623 -11.055 1.00 0.00 N ATOM 1027 CA ASN A 64 -3.210 -16.638 -11.995 1.00 0.00 C ATOM 1028 C ASN A 64 -4.445 -16.131 -12.744 1.00 0.00 C ATOM 1029 O ASN A 64 -5.039 -15.125 -12.359 1.00 0.00 O ATOM 1030 CB ASN A 64 -3.594 -17.930 -11.270 1.00 0.00 C ATOM 1031 CG ASN A 64 -2.734 -19.102 -11.746 1.00 0.00 C ATOM 1032 OD1 ASN A 64 -1.647 -18.934 -12.274 1.00 0.00 O ATOM 1033 ND2 ASN A 64 -3.280 -20.296 -11.532 1.00 0.00 N ATOM 0 H ASN A 64 -1.833 -15.255 -11.233 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.389 -16.841 -12.683 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.472 -17.798 -10.195 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.647 -18.151 -11.447 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.785 -21.141 -11.815 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.194 -20.366 -11.085 1.00 0.00 H new ATOM 1040 N PRO A 65 -4.803 -16.870 -13.828 1.00 0.00 N ATOM 1041 CA PRO A 65 -5.956 -16.505 -14.634 1.00 0.00 C ATOM 1042 C PRO A 65 -7.260 -16.861 -13.918 1.00 0.00 C ATOM 1043 O PRO A 65 -8.264 -16.165 -14.066 1.00 0.00 O ATOM 1044 CB PRO A 65 -5.774 -17.256 -15.943 1.00 0.00 C ATOM 1045 CG PRO A 65 -4.779 -18.368 -15.651 1.00 0.00 C ATOM 1046 CD PRO A 65 -4.123 -18.067 -14.314 1.00 0.00 C ATOM 0 HA PRO A 65 -6.022 -15.432 -14.811 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.722 -17.663 -16.295 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.401 -16.594 -16.725 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -5.284 -19.333 -15.620 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -4.029 -18.426 -16.440 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.240 -18.899 -13.619 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.053 -17.896 -14.428 1.00 0.00 H new ATOM 1054 N GLU A 66 -7.203 -17.943 -13.156 1.00 0.00 N ATOM 1055 CA GLU A 66 -8.368 -18.400 -12.416 1.00 0.00 C ATOM 1056 C GLU A 66 -8.124 -18.273 -10.911 1.00 0.00 C ATOM 1057 O GLU A 66 -8.625 -17.349 -10.273 1.00 0.00 O ATOM 1058 CB GLU A 66 -8.729 -19.838 -12.794 1.00 0.00 C ATOM 1059 CG GLU A 66 -9.967 -20.311 -12.030 1.00 0.00 C ATOM 1060 CD GLU A 66 -10.392 -21.709 -12.486 1.00 0.00 C ATOM 1061 OE1 GLU A 66 -10.412 -21.922 -13.718 1.00 0.00 O ATOM 1062 OE2 GLU A 66 -10.686 -22.532 -11.593 1.00 0.00 O ATOM 0 H GLU A 66 -6.369 -18.517 -13.035 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.214 -17.767 -12.682 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.913 -19.901 -13.867 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.889 -20.497 -12.576 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.757 -20.322 -10.961 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.786 -19.609 -12.187 1.00 0.00 H new ATOM 1069 N GLU A 67 -7.353 -19.216 -10.388 1.00 0.00 N ATOM 1070 CA GLU A 67 -7.037 -19.221 -8.969 1.00 0.00 C ATOM 1071 C GLU A 67 -8.318 -19.323 -8.140 1.00 0.00 C ATOM 1072 O GLU A 67 -9.342 -19.800 -8.628 1.00 0.00 O ATOM 1073 CB GLU A 67 -6.230 -17.979 -8.583 1.00 0.00 C ATOM 1074 CG GLU A 67 -5.207 -18.307 -7.494 1.00 0.00 C ATOM 1075 CD GLU A 67 -5.318 -17.326 -6.325 1.00 0.00 C ATOM 1076 OE1 GLU A 67 -5.031 -16.132 -6.558 1.00 0.00 O ATOM 1077 OE2 GLU A 67 -5.686 -17.792 -5.225 1.00 0.00 O ATOM 0 H GLU A 67 -6.938 -19.981 -10.921 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.421 -20.095 -8.757 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.718 -17.586 -9.461 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.904 -17.198 -8.231 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.365 -19.324 -7.136 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.201 -18.269 -7.912 1.00 0.00 H new ATOM 1084 N ALA A 68 -8.220 -18.866 -6.900 1.00 0.00 N ATOM 1085 CA ALA A 68 -9.359 -18.900 -5.998 1.00 0.00 C ATOM 1086 C ALA A 68 -9.436 -17.578 -5.231 1.00 0.00 C ATOM 1087 O ALA A 68 -9.333 -17.559 -4.006 1.00 0.00 O ATOM 1088 CB ALA A 68 -9.237 -20.107 -5.066 1.00 0.00 C ATOM 0 H ALA A 68 -7.370 -18.470 -6.499 1.00 0.00 H new ATOM 0 HA ALA A 68 -10.288 -19.012 -6.557 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -10.091 -20.132 -4.390 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -9.215 -21.022 -5.657 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.317 -20.027 -4.486 1.00 0.00 H new ATOM 1094 N GLY A 69 -9.617 -16.503 -5.985 1.00 0.00 N ATOM 1095 CA GLY A 69 -9.709 -15.180 -5.393 1.00 0.00 C ATOM 1096 C GLY A 69 -8.442 -14.842 -4.605 1.00 0.00 C ATOM 1097 O GLY A 69 -7.720 -15.738 -4.169 1.00 0.00 O ATOM 0 H GLY A 69 -9.702 -16.522 -7.001 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.863 -14.437 -6.176 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.575 -15.132 -4.733 1.00 0.00 H new ATOM 1101 N LYS A 70 -8.210 -13.548 -4.446 1.00 0.00 N ATOM 1102 CA LYS A 70 -7.042 -13.081 -3.718 1.00 0.00 C ATOM 1103 C LYS A 70 -7.268 -11.634 -3.274 1.00 0.00 C ATOM 1104 O LYS A 70 -8.056 -10.910 -3.882 1.00 0.00 O ATOM 1105 CB LYS A 70 -5.776 -13.277 -4.555 1.00 0.00 C ATOM 1106 CG LYS A 70 -4.560 -13.520 -3.659 1.00 0.00 C ATOM 1107 CD LYS A 70 -4.740 -14.788 -2.822 1.00 0.00 C ATOM 1108 CE LYS A 70 -3.607 -15.783 -3.082 1.00 0.00 C ATOM 1109 NZ LYS A 70 -3.914 -17.092 -2.464 1.00 0.00 N ATOM 0 H LYS A 70 -8.811 -12.808 -4.809 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.894 -13.673 -2.815 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.909 -14.122 -5.231 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.606 -12.397 -5.175 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.664 -13.609 -4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.412 -12.664 -3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.765 -14.529 -1.764 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.697 -15.252 -3.059 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.462 -15.906 -4.155 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.673 -15.393 -2.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.135 -17.755 -2.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.029 -16.973 -1.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.794 -17.470 -2.870 1.00 0.00 H new ATOM 1123 N PHE A 71 -6.563 -11.256 -2.218 1.00 0.00 N ATOM 1124 CA PHE A 71 -6.677 -9.909 -1.686 1.00 0.00 C ATOM 1125 C PHE A 71 -5.399 -9.108 -1.943 1.00 0.00 C ATOM 1126 O PHE A 71 -4.691 -8.742 -1.005 1.00 0.00 O ATOM 1127 CB PHE A 71 -6.886 -10.040 -0.176 1.00 0.00 C ATOM 1128 CG PHE A 71 -8.035 -10.973 0.213 1.00 0.00 C ATOM 1129 CD1 PHE A 71 -9.064 -11.182 -0.651 1.00 0.00 C ATOM 1130 CD2 PHE A 71 -8.026 -11.594 1.423 1.00 0.00 C ATOM 1131 CE1 PHE A 71 -10.130 -12.048 -0.289 1.00 0.00 C ATOM 1132 CE2 PHE A 71 -9.092 -12.460 1.784 1.00 0.00 C ATOM 1133 CZ PHE A 71 -10.121 -12.669 0.921 1.00 0.00 C ATOM 0 H PHE A 71 -5.911 -11.859 -1.717 1.00 0.00 H new ATOM 0 HA PHE A 71 -7.504 -9.388 -2.168 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.965 -10.405 0.278 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.077 -9.051 0.242 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.071 -10.690 -1.612 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.208 -11.429 2.109 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.948 -12.213 -0.975 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -9.085 -12.953 2.745 1.00 0.00 H new ATOM 0 HZ PHE A 71 -10.931 -13.328 1.196 1.00 0.00 H new ATOM 1143 N VAL A 72 -5.141 -8.858 -3.219 1.00 0.00 N ATOM 1144 CA VAL A 72 -3.961 -8.107 -3.611 1.00 0.00 C ATOM 1145 C VAL A 72 -4.380 -6.934 -4.500 1.00 0.00 C ATOM 1146 O VAL A 72 -5.064 -7.125 -5.504 1.00 0.00 O ATOM 1147 CB VAL A 72 -2.950 -9.036 -4.286 1.00 0.00 C ATOM 1148 CG1 VAL A 72 -1.545 -8.429 -4.260 1.00 0.00 C ATOM 1149 CG2 VAL A 72 -2.960 -10.422 -3.636 1.00 0.00 C ATOM 0 H VAL A 72 -5.730 -9.163 -3.994 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.465 -7.690 -2.734 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.246 -9.152 -5.329 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.846 -9.109 -4.746 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.551 -7.476 -4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.237 -8.269 -3.227 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.233 -11.063 -4.134 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.701 -10.331 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.954 -10.860 -3.729 1.00 0.00 H new ATOM 1159 N PHE A 73 -3.952 -5.746 -4.098 1.00 0.00 N ATOM 1160 CA PHE A 73 -4.274 -4.542 -4.845 1.00 0.00 C ATOM 1161 C PHE A 73 -3.084 -3.582 -4.877 1.00 0.00 C ATOM 1162 O PHE A 73 -2.382 -3.424 -3.879 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.441 -3.866 -4.122 1.00 0.00 C ATOM 1164 CG PHE A 73 -5.036 -3.122 -2.848 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -4.797 -3.816 -1.702 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -4.916 -1.768 -2.860 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -4.422 -3.126 -0.520 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -4.541 -1.078 -1.677 1.00 0.00 C ATOM 1169 CZ PHE A 73 -4.302 -1.771 -0.532 1.00 0.00 C ATOM 0 H PHE A 73 -3.385 -5.592 -3.264 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.527 -4.799 -5.874 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -5.920 -3.164 -4.804 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.185 -4.621 -3.869 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.893 -4.892 -1.692 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -5.106 -1.217 -3.769 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.232 -3.677 0.389 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.446 -0.002 -1.687 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.017 -1.246 0.368 1.00 0.00 H new ATOM 1179 N GLU A 74 -2.893 -2.965 -6.033 1.00 0.00 N ATOM 1180 CA GLU A 74 -1.800 -2.024 -6.208 1.00 0.00 C ATOM 1181 C GLU A 74 -2.345 -0.615 -6.452 1.00 0.00 C ATOM 1182 O GLU A 74 -3.439 -0.454 -6.991 1.00 0.00 O ATOM 1183 CB GLU A 74 -0.878 -2.460 -7.350 1.00 0.00 C ATOM 1184 CG GLU A 74 -1.265 -1.771 -8.660 1.00 0.00 C ATOM 1185 CD GLU A 74 -0.552 -2.416 -9.850 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -0.031 -3.537 -9.660 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -0.543 -1.775 -10.922 1.00 0.00 O ATOM 0 H GLU A 74 -3.477 -3.098 -6.859 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.209 -2.010 -5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.155 -2.220 -7.100 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.933 -3.542 -7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.344 -1.831 -8.802 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.009 -0.713 -8.608 1.00 0.00 H new ATOM 1194 N ILE A 75 -1.558 0.369 -6.042 1.00 0.00 N ATOM 1195 CA ILE A 75 -1.949 1.758 -6.209 1.00 0.00 C ATOM 1196 C ILE A 75 -1.107 2.391 -7.319 1.00 0.00 C ATOM 1197 O ILE A 75 0.088 2.624 -7.140 1.00 0.00 O ATOM 1198 CB ILE A 75 -1.866 2.502 -4.875 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -2.489 1.677 -3.747 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -2.495 3.893 -4.982 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -1.787 1.949 -2.415 1.00 0.00 C ATOM 0 H ILE A 75 -0.652 0.232 -5.595 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.991 1.825 -6.521 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.814 2.643 -4.628 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.549 1.917 -3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.421 0.616 -3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.423 4.400 -4.020 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.968 4.474 -5.739 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.544 3.797 -5.264 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.250 1.350 -1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.733 1.685 -2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.878 3.006 -2.165 1.00 0.00 H new ATOM 1213 N ILE A 76 -1.762 2.650 -8.441 1.00 0.00 N ATOM 1214 CA ILE A 76 -1.089 3.250 -9.580 1.00 0.00 C ATOM 1215 C ILE A 76 -1.247 4.771 -9.516 1.00 0.00 C ATOM 1216 O ILE A 76 -2.361 5.286 -9.586 1.00 0.00 O ATOM 1217 CB ILE A 76 -1.592 2.634 -10.886 1.00 0.00 C ATOM 1218 CG1 ILE A 76 -1.401 1.116 -10.886 1.00 0.00 C ATOM 1219 CG2 ILE A 76 -0.929 3.295 -12.096 1.00 0.00 C ATOM 1220 CD1 ILE A 76 -2.749 0.393 -10.930 1.00 0.00 C ATOM 0 H ILE A 76 -2.753 2.455 -8.586 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.020 3.038 -9.546 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.663 2.824 -10.962 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.798 0.822 -11.745 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.852 0.815 -9.994 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.305 2.838 -13.012 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.160 4.360 -12.101 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.151 3.158 -12.039 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.584 -0.684 -10.929 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.339 0.670 -10.057 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.285 0.677 -11.836 1.00 0.00 H new ATOM 1232 N PRO A 77 -0.085 5.464 -9.380 1.00 0.00 N ATOM 1233 CA PRO A 77 -0.083 6.915 -9.307 1.00 0.00 C ATOM 1234 C PRO A 77 -0.332 7.535 -10.683 1.00 0.00 C ATOM 1235 O PRO A 77 -0.037 6.920 -11.707 1.00 0.00 O ATOM 1236 CB PRO A 77 1.275 7.278 -8.729 1.00 0.00 C ATOM 1237 CG PRO A 77 2.156 6.057 -8.934 1.00 0.00 C ATOM 1238 CD PRO A 77 1.254 4.887 -9.294 1.00 0.00 C ATOM 0 HA PRO A 77 -0.885 7.305 -8.681 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.693 8.150 -9.232 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.195 7.528 -7.671 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.881 6.238 -9.727 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.722 5.838 -8.029 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.551 4.434 -10.240 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.300 4.104 -8.537 1.00 0.00 H new ATOM 1246 N ALA A 78 -0.873 8.744 -10.664 1.00 0.00 N ATOM 1247 CA ALA A 78 -1.165 9.453 -11.898 1.00 0.00 C ATOM 1248 C ALA A 78 -0.027 9.224 -12.894 1.00 0.00 C ATOM 1249 O ALA A 78 -0.246 8.688 -13.979 1.00 0.00 O ATOM 1250 CB ALA A 78 -1.386 10.936 -11.595 1.00 0.00 C ATOM 0 H ALA A 78 -1.117 9.251 -9.813 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.081 9.074 -12.351 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.605 11.468 -12.521 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.224 11.046 -10.907 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.487 11.353 -11.141 1.00 0.00 H new ATOM 1256 N SER A 79 1.163 9.643 -12.490 1.00 0.00 N ATOM 1257 CA SER A 79 2.336 9.490 -13.334 1.00 0.00 C ATOM 1258 C SER A 79 2.872 8.061 -13.232 1.00 0.00 C ATOM 1259 O SER A 79 2.725 7.411 -12.198 1.00 0.00 O ATOM 1260 CB SER A 79 3.425 10.494 -12.950 1.00 0.00 C ATOM 1261 OG SER A 79 4.023 11.096 -14.094 1.00 0.00 O ATOM 0 H SER A 79 1.340 10.088 -11.590 1.00 0.00 H new ATOM 0 HA SER A 79 2.043 9.688 -14.365 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.996 11.269 -12.315 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.192 9.990 -12.363 1.00 0.00 H new ATOM 0 HG SER A 79 4.712 11.732 -13.807 1.00 0.00 H new ATOM 1267 N TRP A 80 3.482 7.612 -14.319 1.00 0.00 N ATOM 1268 CA TRP A 80 4.041 6.272 -14.365 1.00 0.00 C ATOM 1269 C TRP A 80 4.917 6.167 -15.615 1.00 0.00 C ATOM 1270 O TRP A 80 4.800 5.211 -16.381 1.00 0.00 O ATOM 1271 CB TRP A 80 2.935 5.215 -14.320 1.00 0.00 C ATOM 1272 CG TRP A 80 2.291 4.929 -15.678 1.00 0.00 C ATOM 1273 CD1 TRP A 80 2.399 3.821 -16.425 1.00 0.00 C ATOM 1274 CD2 TRP A 80 1.431 5.814 -16.426 1.00 0.00 C ATOM 1275 NE1 TRP A 80 1.674 3.928 -17.594 1.00 0.00 N ATOM 1276 CE2 TRP A 80 1.067 5.178 -17.595 1.00 0.00 C ATOM 1277 CE3 TRP A 80 0.977 7.110 -16.124 1.00 0.00 C ATOM 1278 CZ2 TRP A 80 0.231 5.760 -18.556 1.00 0.00 C ATOM 1279 CZ3 TRP A 80 0.142 7.678 -17.095 1.00 0.00 C ATOM 1280 CH2 TRP A 80 -0.234 7.051 -18.277 1.00 0.00 C ATOM 0 H TRP A 80 3.601 8.153 -15.175 1.00 0.00 H new ATOM 0 HA TRP A 80 4.661 6.083 -13.489 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.349 4.288 -13.923 1.00 0.00 H new ATOM 0 HB3 TRP A 80 2.162 5.542 -13.625 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.980 2.954 -16.147 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.598 3.219 -18.324 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.250 7.627 -15.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.040 5.241 -19.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -0.236 8.673 -16.912 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -0.882 7.557 -18.977 1.00 0.00 H new ATOM 1291 N ASP A 81 5.774 7.163 -15.783 1.00 0.00 N ATOM 1292 CA ASP A 81 6.670 7.194 -16.927 1.00 0.00 C ATOM 1293 C ASP A 81 7.881 8.069 -16.597 1.00 0.00 C ATOM 1294 O ASP A 81 9.021 7.615 -16.681 1.00 0.00 O ATOM 1295 CB ASP A 81 5.976 7.790 -18.153 1.00 0.00 C ATOM 1296 CG ASP A 81 6.332 7.126 -19.484 1.00 0.00 C ATOM 1297 OD1 ASP A 81 5.813 6.013 -19.720 1.00 0.00 O ATOM 1298 OD2 ASP A 81 7.115 7.745 -20.236 1.00 0.00 O ATOM 0 H ASP A 81 5.867 7.955 -15.146 1.00 0.00 H new ATOM 0 HA ASP A 81 6.973 6.170 -17.146 1.00 0.00 H new ATOM 0 HB2 ASP A 81 4.898 7.725 -18.009 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.226 8.849 -18.214 1.00 0.00 H new ATOM 1303 N GLN A 82 7.592 9.309 -16.229 1.00 0.00 N ATOM 1304 CA GLN A 82 8.643 10.252 -15.886 1.00 0.00 C ATOM 1305 C GLN A 82 9.454 9.733 -14.697 1.00 0.00 C ATOM 1306 O GLN A 82 9.152 8.674 -14.149 1.00 0.00 O ATOM 1307 CB GLN A 82 8.063 11.636 -15.592 1.00 0.00 C ATOM 1308 CG GLN A 82 8.220 12.564 -16.798 1.00 0.00 C ATOM 1309 CD GLN A 82 9.103 13.766 -16.454 1.00 0.00 C ATOM 1310 OE1 GLN A 82 9.656 13.873 -15.373 1.00 0.00 O ATOM 1311 NE2 GLN A 82 9.202 14.661 -17.433 1.00 0.00 N ATOM 0 H GLN A 82 6.645 9.682 -16.161 1.00 0.00 H new ATOM 0 HA GLN A 82 9.311 10.349 -16.742 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.008 11.545 -15.334 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.566 12.069 -14.728 1.00 0.00 H new ATOM 0 HG2 GLN A 82 8.658 12.013 -17.631 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.240 12.910 -17.125 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.712 14.509 -18.315 1.00 0.00 H new ATOM 0 HE22 GLN A 82 9.768 15.499 -17.302 1.00 0.00 H new ATOM 1320 N ASN A 83 10.469 10.503 -14.333 1.00 0.00 N ATOM 1321 CA ASN A 83 11.326 10.134 -13.219 1.00 0.00 C ATOM 1322 C ASN A 83 12.063 8.836 -13.555 1.00 0.00 C ATOM 1323 O ASN A 83 11.908 8.296 -14.649 1.00 0.00 O ATOM 1324 CB ASN A 83 10.507 9.898 -11.948 1.00 0.00 C ATOM 1325 CG ASN A 83 10.688 11.049 -10.957 1.00 0.00 C ATOM 1326 OD1 ASN A 83 11.689 11.158 -10.268 1.00 0.00 O ATOM 1327 ND2 ASN A 83 9.666 11.900 -10.924 1.00 0.00 N ATOM 0 H ASN A 83 10.717 11.381 -14.790 1.00 0.00 H new ATOM 0 HA ASN A 83 12.028 10.951 -13.049 1.00 0.00 H new ATOM 0 HB2 ASN A 83 9.452 9.797 -12.204 1.00 0.00 H new ATOM 0 HB3 ASN A 83 10.813 8.961 -11.483 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.691 12.703 -10.295 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.858 11.750 -11.528 1.00 0.00 H new ATOM 1334 N ARG A 84 12.848 8.372 -12.594 1.00 0.00 N ATOM 1335 CA ARG A 84 13.608 7.147 -12.774 1.00 0.00 C ATOM 1336 C ARG A 84 12.842 5.957 -12.194 1.00 0.00 C ATOM 1337 O ARG A 84 13.448 4.994 -11.724 1.00 0.00 O ATOM 1338 CB ARG A 84 14.977 7.244 -12.097 1.00 0.00 C ATOM 1339 CG ARG A 84 15.810 8.375 -12.703 1.00 0.00 C ATOM 1340 CD ARG A 84 16.571 7.892 -13.940 1.00 0.00 C ATOM 1341 NE ARG A 84 17.835 8.649 -14.084 1.00 0.00 N ATOM 1342 CZ ARG A 84 18.710 8.466 -15.082 1.00 0.00 C ATOM 1343 NH1 ARG A 84 18.465 7.551 -16.029 1.00 0.00 N ATOM 1344 NH2 ARG A 84 19.831 9.198 -15.132 1.00 0.00 N ATOM 0 H ARG A 84 12.974 8.823 -11.688 1.00 0.00 H new ATOM 0 HA ARG A 84 13.754 7.002 -13.844 1.00 0.00 H new ATOM 0 HB2 ARG A 84 14.847 7.416 -11.029 1.00 0.00 H new ATOM 0 HB3 ARG A 84 15.508 6.298 -12.205 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.159 9.206 -12.973 1.00 0.00 H new ATOM 0 HG3 ARG A 84 16.515 8.750 -11.961 1.00 0.00 H new ATOM 0 HD2 ARG A 84 16.783 6.826 -13.853 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.956 8.023 -14.830 1.00 0.00 H new ATOM 0 HE ARG A 84 18.053 9.354 -13.380 1.00 0.00 H new ATOM 0 HH11 ARG A 84 17.612 6.993 -15.991 1.00 0.00 H new ATOM 0 HH12 ARG A 84 19.131 7.412 -16.789 1.00 0.00 H new ATOM 0 HH21 ARG A 84 20.018 9.894 -14.410 1.00 0.00 H new ATOM 0 HH22 ARG A 84 20.497 9.059 -15.892 1.00 0.00 H new ATOM 1358 N MET A 85 11.523 6.061 -12.246 1.00 0.00 N ATOM 1359 CA MET A 85 10.668 5.005 -11.731 1.00 0.00 C ATOM 1360 C MET A 85 9.359 4.924 -12.520 1.00 0.00 C ATOM 1361 O MET A 85 8.279 5.087 -11.955 1.00 0.00 O ATOM 1362 CB MET A 85 10.359 5.270 -10.256 1.00 0.00 C ATOM 1363 CG MET A 85 11.394 4.600 -9.350 1.00 0.00 C ATOM 1364 SD MET A 85 11.766 5.658 -7.961 1.00 0.00 S ATOM 1365 CE MET A 85 11.797 4.448 -6.649 1.00 0.00 C ATOM 0 H MET A 85 11.025 6.861 -12.637 1.00 0.00 H new ATOM 0 HA MET A 85 11.193 4.056 -11.836 1.00 0.00 H new ATOM 0 HB2 MET A 85 10.349 6.344 -10.070 1.00 0.00 H new ATOM 0 HB3 MET A 85 9.364 4.896 -10.016 1.00 0.00 H new ATOM 0 HG2 MET A 85 11.014 3.642 -8.996 1.00 0.00 H new ATOM 0 HG3 MET A 85 12.304 4.393 -9.914 1.00 0.00 H new ATOM 0 HE1 MET A 85 12.018 4.943 -5.703 1.00 0.00 H new ATOM 0 HE2 MET A 85 10.826 3.957 -6.584 1.00 0.00 H new ATOM 0 HE3 MET A 85 12.566 3.705 -6.858 1.00 0.00 H new ATOM 1375 N GLY A 86 9.500 4.674 -13.813 1.00 0.00 N ATOM 1376 CA GLY A 86 8.343 4.570 -14.686 1.00 0.00 C ATOM 1377 C GLY A 86 7.620 3.237 -14.482 1.00 0.00 C ATOM 1378 O GLY A 86 8.224 2.260 -14.043 1.00 0.00 O ATOM 0 H GLY A 86 10.398 4.540 -14.278 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.658 5.394 -14.487 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.658 4.662 -15.725 1.00 0.00 H new ATOM 1382 N GLN A 87 6.336 3.240 -14.810 1.00 0.00 N ATOM 1383 CA GLN A 87 5.524 2.044 -14.668 1.00 0.00 C ATOM 1384 C GLN A 87 5.886 1.307 -13.377 1.00 0.00 C ATOM 1385 O GLN A 87 6.348 0.167 -13.416 1.00 0.00 O ATOM 1386 CB GLN A 87 5.681 1.128 -15.884 1.00 0.00 C ATOM 1387 CG GLN A 87 4.833 -0.137 -15.730 1.00 0.00 C ATOM 1388 CD GLN A 87 3.754 -0.208 -16.812 1.00 0.00 C ATOM 1389 OE1 GLN A 87 3.920 0.268 -17.923 1.00 0.00 O ATOM 1390 NE2 GLN A 87 2.642 -0.828 -16.428 1.00 0.00 N ATOM 0 H GLN A 87 5.838 4.052 -15.174 1.00 0.00 H new ATOM 0 HA GLN A 87 4.477 2.343 -14.611 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.384 1.662 -16.787 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.729 0.855 -16.005 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.473 -1.018 -15.791 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.367 -0.149 -14.745 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.568 -1.204 -15.483 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.863 -0.928 -17.079 1.00 0.00 H new ATOM 1399 N ASP A 88 5.663 1.988 -12.262 1.00 0.00 N ATOM 1400 CA ASP A 88 5.959 1.412 -10.961 1.00 0.00 C ATOM 1401 C ASP A 88 4.878 1.833 -9.964 1.00 0.00 C ATOM 1402 O ASP A 88 4.931 2.931 -9.412 1.00 0.00 O ATOM 1403 CB ASP A 88 7.308 1.908 -10.434 1.00 0.00 C ATOM 1404 CG ASP A 88 8.329 0.808 -10.138 1.00 0.00 C ATOM 1405 OD1 ASP A 88 7.911 -0.212 -9.551 1.00 0.00 O ATOM 1406 OD2 ASP A 88 9.506 1.014 -10.506 1.00 0.00 O ATOM 0 H ASP A 88 5.281 2.933 -12.233 1.00 0.00 H new ATOM 0 HA ASP A 88 5.991 0.328 -11.071 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.737 2.594 -11.164 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.137 2.480 -9.522 1.00 0.00 H new ATOM 1411 N SER A 89 3.923 0.937 -9.763 1.00 0.00 N ATOM 1412 CA SER A 89 2.831 1.202 -8.841 1.00 0.00 C ATOM 1413 C SER A 89 3.165 0.638 -7.459 1.00 0.00 C ATOM 1414 O SER A 89 4.233 0.061 -7.261 1.00 0.00 O ATOM 1415 CB SER A 89 1.520 0.605 -9.355 1.00 0.00 C ATOM 1416 OG SER A 89 1.676 -0.749 -9.771 1.00 0.00 O ATOM 0 H SER A 89 3.882 0.027 -10.222 1.00 0.00 H new ATOM 0 HA SER A 89 2.702 2.282 -8.764 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.765 0.658 -8.570 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.154 1.201 -10.191 1.00 0.00 H new ATOM 0 HG SER A 89 1.612 -0.801 -10.748 1.00 0.00 H new ATOM 1422 N TYR A 90 2.231 0.826 -6.537 1.00 0.00 N ATOM 1423 CA TYR A 90 2.413 0.343 -5.179 1.00 0.00 C ATOM 1424 C TYR A 90 1.650 -0.964 -4.954 1.00 0.00 C ATOM 1425 O TYR A 90 0.480 -0.946 -4.573 1.00 0.00 O ATOM 1426 CB TYR A 90 1.830 1.424 -4.266 1.00 0.00 C ATOM 1427 CG TYR A 90 2.859 2.446 -3.776 1.00 0.00 C ATOM 1428 CD1 TYR A 90 4.053 2.600 -4.450 1.00 0.00 C ATOM 1429 CD2 TYR A 90 2.592 3.213 -2.660 1.00 0.00 C ATOM 1430 CE1 TYR A 90 5.021 3.562 -3.989 1.00 0.00 C ATOM 1431 CE2 TYR A 90 3.559 4.174 -2.200 1.00 0.00 C ATOM 1432 CZ TYR A 90 4.726 4.301 -2.887 1.00 0.00 C ATOM 1433 OH TYR A 90 5.640 5.210 -2.451 1.00 0.00 O ATOM 0 H TYR A 90 1.347 1.306 -6.704 1.00 0.00 H new ATOM 0 HA TYR A 90 3.467 0.149 -4.979 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.038 1.949 -4.801 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.368 0.946 -3.402 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.262 1.999 -5.323 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.658 3.092 -2.132 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.960 3.693 -4.507 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.363 4.781 -1.329 1.00 0.00 H new ATOM 0 HH TYR A 90 5.214 5.825 -1.818 1.00 0.00 H new ATOM 1443 N VAL A 91 2.342 -2.066 -5.200 1.00 0.00 N ATOM 1444 CA VAL A 91 1.744 -3.379 -5.030 1.00 0.00 C ATOM 1445 C VAL A 91 1.599 -3.679 -3.537 1.00 0.00 C ATOM 1446 O VAL A 91 2.572 -4.035 -2.874 1.00 0.00 O ATOM 1447 CB VAL A 91 2.570 -4.431 -5.773 1.00 0.00 C ATOM 1448 CG1 VAL A 91 2.015 -5.836 -5.530 1.00 0.00 C ATOM 1449 CG2 VAL A 91 2.636 -4.119 -7.269 1.00 0.00 C ATOM 0 H VAL A 91 3.312 -2.077 -5.516 1.00 0.00 H new ATOM 0 HA VAL A 91 0.745 -3.402 -5.465 1.00 0.00 H new ATOM 0 HB VAL A 91 3.586 -4.399 -5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.620 -6.565 -6.069 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.043 -6.059 -4.463 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.985 -5.887 -5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.229 -4.882 -7.774 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.628 -4.109 -7.684 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.098 -3.143 -7.417 1.00 0.00 H new ATOM 1459 N LEU A 92 0.376 -3.523 -3.050 1.00 0.00 N ATOM 1460 CA LEU A 92 0.091 -3.773 -1.648 1.00 0.00 C ATOM 1461 C LEU A 92 -0.796 -5.014 -1.525 1.00 0.00 C ATOM 1462 O LEU A 92 -1.629 -5.274 -2.391 1.00 0.00 O ATOM 1463 CB LEU A 92 -0.504 -2.525 -0.992 1.00 0.00 C ATOM 1464 CG LEU A 92 0.258 -1.218 -1.223 1.00 0.00 C ATOM 1465 CD1 LEU A 92 -0.276 -0.105 -0.320 1.00 0.00 C ATOM 1466 CD2 LEU A 92 1.764 -1.423 -1.049 1.00 0.00 C ATOM 0 H LEU A 92 -0.429 -3.226 -3.602 1.00 0.00 H new ATOM 0 HA LEU A 92 1.012 -3.984 -1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.523 -2.398 -1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.570 -2.699 0.082 1.00 0.00 H new ATOM 0 HG LEU A 92 0.092 -0.904 -2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.283 0.813 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.331 0.063 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.161 -0.397 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.282 -0.479 -1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.969 -1.773 -0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.116 -2.164 -1.767 1.00 0.00 H new ATOM 1478 N MET A 93 -0.586 -5.746 -0.441 1.00 0.00 N ATOM 1479 CA MET A 93 -1.356 -6.954 -0.193 1.00 0.00 C ATOM 1480 C MET A 93 -1.710 -7.083 1.289 1.00 0.00 C ATOM 1481 O MET A 93 -0.849 -6.927 2.154 1.00 0.00 O ATOM 1482 CB MET A 93 -0.546 -8.175 -0.633 1.00 0.00 C ATOM 1483 CG MET A 93 -1.234 -9.472 -0.205 1.00 0.00 C ATOM 1484 SD MET A 93 -0.216 -10.344 0.973 1.00 0.00 S ATOM 1485 CE MET A 93 1.266 -10.561 0.002 1.00 0.00 C ATOM 0 H MET A 93 0.106 -5.526 0.276 1.00 0.00 H new ATOM 0 HA MET A 93 -2.282 -6.896 -0.765 1.00 0.00 H new ATOM 0 HB2 MET A 93 -0.424 -8.164 -1.716 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.453 -8.129 -0.199 1.00 0.00 H new ATOM 0 HG2 MET A 93 -2.205 -9.249 0.236 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.416 -10.101 -1.076 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.597 -11.597 0.070 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.058 -10.314 -1.039 1.00 0.00 H new ATOM 0 HE3 MET A 93 2.049 -9.904 0.381 1.00 0.00 H new ATOM 1495 N ALA A 94 -2.981 -7.367 1.538 1.00 0.00 N ATOM 1496 CA ALA A 94 -3.460 -7.520 2.901 1.00 0.00 C ATOM 1497 C ALA A 94 -3.544 -9.008 3.245 1.00 0.00 C ATOM 1498 O ALA A 94 -3.221 -9.859 2.417 1.00 0.00 O ATOM 1499 CB ALA A 94 -4.807 -6.810 3.051 1.00 0.00 C ATOM 0 H ALA A 94 -3.693 -7.495 0.819 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.767 -7.058 3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.167 -6.925 4.074 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.687 -5.750 2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.528 -7.249 2.361 1.00 0.00 H new ATOM 1505 N SER A 95 -3.978 -9.278 4.467 1.00 0.00 N ATOM 1506 CA SER A 95 -4.108 -10.649 4.930 1.00 0.00 C ATOM 1507 C SER A 95 -5.535 -11.148 4.693 1.00 0.00 C ATOM 1508 O SER A 95 -5.734 -12.244 4.171 1.00 0.00 O ATOM 1509 CB SER A 95 -3.744 -10.767 6.411 1.00 0.00 C ATOM 1510 OG SER A 95 -2.360 -11.049 6.600 1.00 0.00 O ATOM 0 H SER A 95 -4.244 -8.570 5.151 1.00 0.00 H new ATOM 0 HA SER A 95 -3.414 -11.269 4.363 1.00 0.00 H new ATOM 0 HB2 SER A 95 -3.998 -9.838 6.922 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.341 -11.556 6.869 1.00 0.00 H new ATOM 0 HG SER A 95 -2.168 -11.115 7.559 1.00 0.00 H new ATOM 1516 N SER A 96 -6.491 -10.320 5.088 1.00 0.00 N ATOM 1517 CA SER A 96 -7.893 -10.664 4.925 1.00 0.00 C ATOM 1518 C SER A 96 -8.567 -9.675 3.971 1.00 0.00 C ATOM 1519 O SER A 96 -7.959 -8.684 3.568 1.00 0.00 O ATOM 1520 CB SER A 96 -8.617 -10.677 6.273 1.00 0.00 C ATOM 1521 OG SER A 96 -7.887 -11.396 7.264 1.00 0.00 O ATOM 0 H SER A 96 -6.322 -9.412 5.521 1.00 0.00 H new ATOM 0 HA SER A 96 -7.952 -11.666 4.501 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.774 -9.652 6.610 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.602 -11.127 6.151 1.00 0.00 H new ATOM 0 HG SER A 96 -8.381 -11.380 8.110 1.00 0.00 H new ATOM 1527 N GLN A 97 -9.812 -9.979 3.638 1.00 0.00 N ATOM 1528 CA GLN A 97 -10.575 -9.130 2.739 1.00 0.00 C ATOM 1529 C GLN A 97 -11.075 -7.887 3.479 1.00 0.00 C ATOM 1530 O GLN A 97 -10.990 -6.775 2.960 1.00 0.00 O ATOM 1531 CB GLN A 97 -11.739 -9.900 2.112 1.00 0.00 C ATOM 1532 CG GLN A 97 -12.408 -9.080 1.007 1.00 0.00 C ATOM 1533 CD GLN A 97 -13.012 -9.991 -0.063 1.00 0.00 C ATOM 1534 OE1 GLN A 97 -13.915 -10.772 0.188 1.00 0.00 O ATOM 1535 NE2 GLN A 97 -12.465 -9.849 -1.266 1.00 0.00 N ATOM 0 H GLN A 97 -10.312 -10.802 3.975 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.918 -8.808 1.931 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -11.377 -10.843 1.702 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.472 -10.147 2.880 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.188 -8.452 1.437 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.677 -8.413 0.551 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.712 -9.176 -1.407 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.799 -10.413 -2.048 1.00 0.00 H new ATOM 1544 N ALA A 98 -11.585 -8.118 4.680 1.00 0.00 N ATOM 1545 CA ALA A 98 -12.098 -7.031 5.496 1.00 0.00 C ATOM 1546 C ALA A 98 -11.032 -5.939 5.613 1.00 0.00 C ATOM 1547 O ALA A 98 -11.358 -4.764 5.775 1.00 0.00 O ATOM 1548 CB ALA A 98 -12.527 -7.576 6.860 1.00 0.00 C ATOM 0 H ALA A 98 -11.654 -9.042 5.107 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.977 -6.584 5.032 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.912 -6.761 7.473 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.306 -8.326 6.723 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.669 -8.029 7.357 1.00 0.00 H new ATOM 1554 N GLU A 99 -9.781 -6.367 5.526 1.00 0.00 N ATOM 1555 CA GLU A 99 -8.666 -5.440 5.620 1.00 0.00 C ATOM 1556 C GLU A 99 -8.513 -4.659 4.314 1.00 0.00 C ATOM 1557 O GLU A 99 -8.574 -3.430 4.310 1.00 0.00 O ATOM 1558 CB GLU A 99 -7.371 -6.175 5.975 1.00 0.00 C ATOM 1559 CG GLU A 99 -6.249 -5.185 6.294 1.00 0.00 C ATOM 1560 CD GLU A 99 -6.440 -4.569 7.682 1.00 0.00 C ATOM 1561 OE1 GLU A 99 -6.718 -5.350 8.617 1.00 0.00 O ATOM 1562 OE2 GLU A 99 -6.305 -3.330 7.776 1.00 0.00 O ATOM 0 H GLU A 99 -9.515 -7.343 5.392 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.874 -4.731 6.421 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.541 -6.826 6.833 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.072 -6.814 5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.286 -5.694 6.247 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.230 -4.397 5.542 1.00 0.00 H new ATOM 1569 N MET A 100 -8.318 -5.404 3.235 1.00 0.00 N ATOM 1570 CA MET A 100 -8.156 -4.797 1.926 1.00 0.00 C ATOM 1571 C MET A 100 -9.364 -3.926 1.572 1.00 0.00 C ATOM 1572 O MET A 100 -9.215 -2.874 0.952 1.00 0.00 O ATOM 1573 CB MET A 100 -7.990 -5.893 0.871 1.00 0.00 C ATOM 1574 CG MET A 100 -7.798 -5.290 -0.522 1.00 0.00 C ATOM 1575 SD MET A 100 -9.385 -4.907 -1.245 1.00 0.00 S ATOM 1576 CE MET A 100 -10.176 -6.502 -1.120 1.00 0.00 C ATOM 0 H MET A 100 -8.269 -6.423 3.242 1.00 0.00 H new ATOM 0 HA MET A 100 -7.269 -4.164 1.947 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.132 -6.517 1.122 1.00 0.00 H new ATOM 0 HB3 MET A 100 -8.867 -6.540 0.873 1.00 0.00 H new ATOM 0 HG2 MET A 100 -7.192 -4.387 -0.456 1.00 0.00 H new ATOM 0 HG3 MET A 100 -7.258 -5.990 -1.159 1.00 0.00 H new ATOM 0 HE1 MET A 100 -10.837 -6.648 -1.974 1.00 0.00 H new ATOM 0 HE2 MET A 100 -9.417 -7.285 -1.110 1.00 0.00 H new ATOM 0 HE3 MET A 100 -10.757 -6.549 -0.199 1.00 0.00 H new ATOM 1586 N GLU A 101 -10.532 -4.397 1.980 1.00 0.00 N ATOM 1587 CA GLU A 101 -11.765 -3.675 1.714 1.00 0.00 C ATOM 1588 C GLU A 101 -11.737 -2.307 2.399 1.00 0.00 C ATOM 1589 O GLU A 101 -12.162 -1.310 1.819 1.00 0.00 O ATOM 1590 CB GLU A 101 -12.983 -4.487 2.160 1.00 0.00 C ATOM 1591 CG GLU A 101 -13.754 -5.025 0.953 1.00 0.00 C ATOM 1592 CD GLU A 101 -14.069 -3.904 -0.041 1.00 0.00 C ATOM 1593 OE1 GLU A 101 -14.507 -2.833 0.432 1.00 0.00 O ATOM 1594 OE2 GLU A 101 -13.865 -4.144 -1.250 1.00 0.00 O ATOM 0 H GLU A 101 -10.652 -5.270 2.493 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.848 -3.519 0.638 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.661 -5.316 2.790 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.639 -3.862 2.766 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.168 -5.800 0.459 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.681 -5.491 1.287 1.00 0.00 H new ATOM 1601 N GLU A 102 -11.232 -2.305 3.625 1.00 0.00 N ATOM 1602 CA GLU A 102 -11.143 -1.076 4.395 1.00 0.00 C ATOM 1603 C GLU A 102 -10.144 -0.115 3.748 1.00 0.00 C ATOM 1604 O GLU A 102 -10.515 0.978 3.323 1.00 0.00 O ATOM 1605 CB GLU A 102 -10.763 -1.366 5.848 1.00 0.00 C ATOM 1606 CG GLU A 102 -11.734 -0.688 6.815 1.00 0.00 C ATOM 1607 CD GLU A 102 -13.127 -1.314 6.723 1.00 0.00 C ATOM 1608 OE1 GLU A 102 -13.185 -2.531 6.441 1.00 0.00 O ATOM 1609 OE2 GLU A 102 -14.103 -0.563 6.937 1.00 0.00 O ATOM 0 H GLU A 102 -10.881 -3.135 4.103 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.124 -0.601 4.398 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.765 -2.442 6.020 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -9.749 -1.015 6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.358 -0.776 7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.794 0.377 6.589 1.00 0.00 H new ATOM 1616 N TRP A 103 -8.897 -0.557 3.693 1.00 0.00 N ATOM 1617 CA TRP A 103 -7.841 0.250 3.105 1.00 0.00 C ATOM 1618 C TRP A 103 -8.356 0.804 1.775 1.00 0.00 C ATOM 1619 O TRP A 103 -8.415 2.018 1.585 1.00 0.00 O ATOM 1620 CB TRP A 103 -6.551 -0.558 2.957 1.00 0.00 C ATOM 1621 CG TRP A 103 -5.588 -0.415 4.138 1.00 0.00 C ATOM 1622 CD1 TRP A 103 -5.250 -1.343 5.043 1.00 0.00 C ATOM 1623 CD2 TRP A 103 -4.849 0.769 4.506 1.00 0.00 C ATOM 1624 NE1 TRP A 103 -4.350 -0.846 5.964 1.00 0.00 N ATOM 1625 CE2 TRP A 103 -4.098 0.479 5.627 1.00 0.00 C ATOM 1626 CE3 TRP A 103 -4.815 2.042 3.910 1.00 0.00 C ATOM 1627 CZ2 TRP A 103 -3.260 1.411 6.250 1.00 0.00 C ATOM 1628 CZ3 TRP A 103 -3.972 2.962 4.545 1.00 0.00 C ATOM 1629 CH2 TRP A 103 -3.210 2.686 5.674 1.00 0.00 C ATOM 0 H TRP A 103 -8.593 -1.464 4.046 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.586 1.086 3.756 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -6.806 -1.611 2.835 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.041 -0.245 2.046 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -5.633 -2.353 5.051 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -3.944 -1.357 6.748 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.393 2.290 3.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -2.683 1.160 7.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -3.909 3.956 4.128 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -2.582 3.452 6.105 1.00 0.00 H new ATOM 1640 N VAL A 104 -8.715 -0.112 0.888 1.00 0.00 N ATOM 1641 CA VAL A 104 -9.222 0.269 -0.419 1.00 0.00 C ATOM 1642 C VAL A 104 -10.361 1.276 -0.245 1.00 0.00 C ATOM 1643 O VAL A 104 -10.355 2.339 -0.864 1.00 0.00 O ATOM 1644 CB VAL A 104 -9.640 -0.977 -1.203 1.00 0.00 C ATOM 1645 CG1 VAL A 104 -10.509 -0.602 -2.405 1.00 0.00 C ATOM 1646 CG2 VAL A 104 -8.417 -1.785 -1.641 1.00 0.00 C ATOM 0 H VAL A 104 -8.665 -1.118 1.049 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.442 0.757 -1.004 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.237 -1.605 -0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.792 -1.505 -2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.407 -0.089 -2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -9.948 0.056 -3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.742 -2.665 -2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.782 -1.168 -2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.854 -2.098 -0.762 1.00 0.00 H new ATOM 1656 N LYS A 105 -11.311 0.906 0.601 1.00 0.00 N ATOM 1657 CA LYS A 105 -12.454 1.763 0.864 1.00 0.00 C ATOM 1658 C LYS A 105 -11.968 3.193 1.110 1.00 0.00 C ATOM 1659 O LYS A 105 -12.325 4.109 0.371 1.00 0.00 O ATOM 1660 CB LYS A 105 -13.298 1.195 2.007 1.00 0.00 C ATOM 1661 CG LYS A 105 -14.402 2.174 2.412 1.00 0.00 C ATOM 1662 CD LYS A 105 -15.453 1.485 3.285 1.00 0.00 C ATOM 1663 CE LYS A 105 -15.345 1.946 4.740 1.00 0.00 C ATOM 1664 NZ LYS A 105 -16.675 2.332 5.262 1.00 0.00 N ATOM 0 H LYS A 105 -11.312 0.024 1.113 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.114 1.795 -0.003 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.742 0.248 1.700 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.660 0.985 2.866 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.967 3.014 2.954 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.876 2.582 1.520 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -16.450 1.706 2.903 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.323 0.404 3.232 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.926 1.146 5.351 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.661 2.792 4.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.583 2.642 6.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -17.060 3.110 4.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.317 1.515 5.214 1.00 0.00 H new ATOM 1678 N PHE A 106 -11.161 3.339 2.150 1.00 0.00 N ATOM 1679 CA PHE A 106 -10.623 4.641 2.503 1.00 0.00 C ATOM 1680 C PHE A 106 -9.778 5.212 1.362 1.00 0.00 C ATOM 1681 O PHE A 106 -9.933 6.374 0.990 1.00 0.00 O ATOM 1682 CB PHE A 106 -9.732 4.440 3.730 1.00 0.00 C ATOM 1683 CG PHE A 106 -10.495 4.416 5.056 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -10.784 5.581 5.696 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -10.885 3.230 5.595 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -11.493 5.558 6.926 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -11.593 3.207 6.825 1.00 0.00 C ATOM 1688 CZ PHE A 106 -11.882 4.372 7.465 1.00 0.00 C ATOM 0 H PHE A 106 -10.867 2.576 2.760 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.437 5.338 2.702 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.186 3.503 3.620 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -8.991 5.239 3.763 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.474 6.523 5.269 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.656 2.305 5.087 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -11.723 6.483 7.434 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -11.902 2.265 7.253 1.00 0.00 H new ATOM 0 HZ PHE A 106 -12.420 4.355 8.401 1.00 0.00 H new ATOM 1698 N LEU A 107 -8.901 4.368 0.838 1.00 0.00 N ATOM 1699 CA LEU A 107 -8.031 4.774 -0.253 1.00 0.00 C ATOM 1700 C LEU A 107 -8.880 5.341 -1.392 1.00 0.00 C ATOM 1701 O LEU A 107 -8.792 6.528 -1.705 1.00 0.00 O ATOM 1702 CB LEU A 107 -7.128 3.614 -0.677 1.00 0.00 C ATOM 1703 CG LEU A 107 -6.052 3.199 0.328 1.00 0.00 C ATOM 1704 CD1 LEU A 107 -5.553 1.781 0.043 1.00 0.00 C ATOM 1705 CD2 LEU A 107 -4.907 4.214 0.356 1.00 0.00 C ATOM 0 H LEU A 107 -8.774 3.405 1.149 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.359 5.569 0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.756 2.748 -0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.638 3.884 -1.613 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.499 3.190 1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.789 1.511 0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.386 1.081 0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.129 1.739 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.156 3.895 1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.454 4.279 -0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.294 5.192 0.643 1.00 0.00 H new ATOM 1717 N ARG A 108 -9.682 4.467 -1.982 1.00 0.00 N ATOM 1718 CA ARG A 108 -10.546 4.867 -3.080 1.00 0.00 C ATOM 1719 C ARG A 108 -11.454 6.020 -2.648 1.00 0.00 C ATOM 1720 O ARG A 108 -11.529 7.043 -3.327 1.00 0.00 O ATOM 1721 CB ARG A 108 -11.410 3.697 -3.554 1.00 0.00 C ATOM 1722 CG ARG A 108 -10.643 2.814 -4.542 1.00 0.00 C ATOM 1723 CD ARG A 108 -11.557 2.330 -5.669 1.00 0.00 C ATOM 1724 NE ARG A 108 -11.005 2.738 -6.979 1.00 0.00 N ATOM 1725 CZ ARG A 108 -11.200 3.943 -7.534 1.00 0.00 C ATOM 1726 NH1 ARG A 108 -11.934 4.864 -6.895 1.00 0.00 N ATOM 1727 NH2 ARG A 108 -10.660 4.225 -8.728 1.00 0.00 N ATOM 0 H ARG A 108 -9.752 3.484 -1.721 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.909 5.191 -3.903 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.724 3.102 -2.697 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.315 4.077 -4.027 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.807 3.373 -4.962 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.221 1.957 -4.017 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -11.655 1.245 -5.628 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -12.557 2.745 -5.541 1.00 0.00 H new ATOM 0 HE ARG A 108 -10.441 2.061 -7.492 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -12.344 4.648 -5.986 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -12.082 5.781 -7.317 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -10.101 3.523 -9.214 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -10.808 5.141 -9.151 1.00 0.00 H new ATOM 1741 N ARG A 109 -12.121 5.816 -1.521 1.00 0.00 N ATOM 1742 CA ARG A 109 -13.021 6.827 -0.991 1.00 0.00 C ATOM 1743 C ARG A 109 -12.427 8.223 -1.188 1.00 0.00 C ATOM 1744 O ARG A 109 -13.033 9.073 -1.838 1.00 0.00 O ATOM 1745 CB ARG A 109 -13.288 6.599 0.498 1.00 0.00 C ATOM 1746 CG ARG A 109 -14.068 7.770 1.100 1.00 0.00 C ATOM 1747 CD ARG A 109 -14.669 7.389 2.455 1.00 0.00 C ATOM 1748 NE ARG A 109 -16.129 7.185 2.321 1.00 0.00 N ATOM 1749 CZ ARG A 109 -17.011 8.174 2.123 1.00 0.00 C ATOM 1750 NH1 ARG A 109 -16.586 9.442 2.034 1.00 0.00 N ATOM 1751 NH2 ARG A 109 -18.317 7.895 2.013 1.00 0.00 N ATOM 0 H ARG A 109 -12.056 4.966 -0.961 1.00 0.00 H new ATOM 0 HA ARG A 109 -13.963 6.750 -1.534 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -13.850 5.675 0.633 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.342 6.477 1.026 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.407 8.629 1.220 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.863 8.072 0.418 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -14.199 6.479 2.828 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -14.468 8.173 3.185 1.00 0.00 H new ATOM 0 HE ARG A 109 -16.486 6.232 2.383 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -15.592 9.654 2.117 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -17.257 10.195 1.883 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -18.640 6.930 2.080 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -18.988 8.648 1.862 1.00 0.00 H new ATOM 1765 N VAL A 110 -11.248 8.416 -0.614 1.00 0.00 N ATOM 1766 CA VAL A 110 -10.566 9.694 -0.718 1.00 0.00 C ATOM 1767 C VAL A 110 -10.243 9.977 -2.187 1.00 0.00 C ATOM 1768 O VAL A 110 -10.430 11.096 -2.663 1.00 0.00 O ATOM 1769 CB VAL A 110 -9.326 9.700 0.178 1.00 0.00 C ATOM 1770 CG1 VAL A 110 -8.520 10.987 -0.009 1.00 0.00 C ATOM 1771 CG2 VAL A 110 -9.709 9.501 1.646 1.00 0.00 C ATOM 0 H VAL A 110 -10.748 7.708 -0.076 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.210 10.500 -0.365 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.694 8.863 -0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.644 10.965 0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.200 11.068 -1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.141 11.845 0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.809 9.509 2.261 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.372 10.307 1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -10.219 8.545 1.762 1.00 0.00 H new ATOM 1781 N ALA A 111 -9.764 8.944 -2.864 1.00 0.00 N ATOM 1782 CA ALA A 111 -9.413 9.067 -4.269 1.00 0.00 C ATOM 1783 C ALA A 111 -10.609 9.628 -5.041 1.00 0.00 C ATOM 1784 O ALA A 111 -10.436 10.357 -6.016 1.00 0.00 O ATOM 1785 CB ALA A 111 -8.960 7.707 -4.803 1.00 0.00 C ATOM 0 H ALA A 111 -9.611 8.018 -2.466 1.00 0.00 H new ATOM 0 HA ALA A 111 -8.582 9.761 -4.398 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -8.697 7.799 -5.857 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -8.091 7.366 -4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.769 6.985 -4.693 1.00 0.00 H new ATOM 1791 N GLY A 112 -11.796 9.266 -4.575 1.00 0.00 N ATOM 1792 CA GLY A 112 -13.020 9.724 -5.210 1.00 0.00 C ATOM 1793 C GLY A 112 -13.883 10.518 -4.227 1.00 0.00 C ATOM 1794 O GLY A 112 -15.054 10.198 -4.026 1.00 0.00 O ATOM 0 H GLY A 112 -11.936 8.661 -3.766 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -12.776 10.347 -6.071 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -13.582 8.868 -5.584 1.00 0.00 H new ATOM 1798 N SER A 113 -13.272 11.537 -3.641 1.00 0.00 N ATOM 1799 CA SER A 113 -13.971 12.378 -2.684 1.00 0.00 C ATOM 1800 C SER A 113 -14.283 13.737 -3.313 1.00 0.00 C ATOM 1801 O SER A 113 -13.661 14.127 -4.300 1.00 0.00 O ATOM 1802 CB SER A 113 -13.147 12.561 -1.408 1.00 0.00 C ATOM 1803 OG SER A 113 -13.914 13.141 -0.356 1.00 0.00 O ATOM 0 H SER A 113 -12.301 11.799 -3.810 1.00 0.00 H new ATOM 0 HA SER A 113 -14.905 11.886 -2.414 1.00 0.00 H new ATOM 0 HB2 SER A 113 -12.760 11.595 -1.084 1.00 0.00 H new ATOM 0 HB3 SER A 113 -12.286 13.194 -1.620 1.00 0.00 H new ATOM 0 HG SER A 113 -13.353 13.240 0.442 1.00 0.00 H new ATOM 1809 N GLY A 114 -15.247 14.422 -2.716 1.00 0.00 N ATOM 1810 CA GLY A 114 -15.650 15.730 -3.205 1.00 0.00 C ATOM 1811 C GLY A 114 -14.444 16.663 -3.333 1.00 0.00 C ATOM 1812 O GLY A 114 -13.343 16.323 -2.903 1.00 0.00 O ATOM 0 H GLY A 114 -15.761 14.096 -1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -16.138 15.625 -4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -16.382 16.167 -2.525 1.00 0.00 H new ATOM 1816 N PRO A 115 -14.699 17.852 -3.942 1.00 0.00 N ATOM 1817 CA PRO A 115 -13.647 18.836 -4.132 1.00 0.00 C ATOM 1818 C PRO A 115 -13.313 19.542 -2.817 1.00 0.00 C ATOM 1819 O PRO A 115 -14.120 19.546 -1.888 1.00 0.00 O ATOM 1820 CB PRO A 115 -14.181 19.782 -5.195 1.00 0.00 C ATOM 1821 CG PRO A 115 -15.686 19.568 -5.226 1.00 0.00 C ATOM 1822 CD PRO A 115 -15.990 18.289 -4.464 1.00 0.00 C ATOM 0 HA PRO A 115 -12.706 18.389 -4.452 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -13.939 20.817 -4.954 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -13.736 19.568 -6.167 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -16.201 20.414 -4.772 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -16.040 19.493 -6.254 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -16.703 18.468 -3.659 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -16.429 17.534 -5.116 1.00 0.00 H new ATOM 1830 N SER A 116 -12.123 20.123 -2.780 1.00 0.00 N ATOM 1831 CA SER A 116 -11.673 20.831 -1.593 1.00 0.00 C ATOM 1832 C SER A 116 -10.397 21.616 -1.905 1.00 0.00 C ATOM 1833 O SER A 116 -9.572 21.175 -2.705 1.00 0.00 O ATOM 1834 CB SER A 116 -11.430 19.864 -0.433 1.00 0.00 C ATOM 1835 OG SER A 116 -10.133 19.277 -0.489 1.00 0.00 O ATOM 0 H SER A 116 -11.457 20.118 -3.552 1.00 0.00 H new ATOM 0 HA SER A 116 -12.457 21.526 -1.292 1.00 0.00 H new ATOM 0 HB2 SER A 116 -11.547 20.395 0.512 1.00 0.00 H new ATOM 0 HB3 SER A 116 -12.185 19.078 -0.452 1.00 0.00 H new ATOM 0 HG SER A 116 -10.017 18.667 0.269 1.00 0.00 H new ATOM 1841 N SER A 117 -10.274 22.765 -1.258 1.00 0.00 N ATOM 1842 CA SER A 117 -9.112 23.616 -1.456 1.00 0.00 C ATOM 1843 C SER A 117 -9.041 24.670 -0.350 1.00 0.00 C ATOM 1844 O SER A 117 -9.572 25.769 -0.500 1.00 0.00 O ATOM 1845 CB SER A 117 -9.151 24.289 -2.829 1.00 0.00 C ATOM 1846 OG SER A 117 -10.253 25.184 -2.955 1.00 0.00 O ATOM 0 H SER A 117 -10.960 23.127 -0.596 1.00 0.00 H new ATOM 0 HA SER A 117 -8.219 22.992 -1.412 1.00 0.00 H new ATOM 0 HB2 SER A 117 -8.221 24.834 -2.992 1.00 0.00 H new ATOM 0 HB3 SER A 117 -9.213 23.526 -3.605 1.00 0.00 H new ATOM 0 HG SER A 117 -10.368 25.681 -2.118 1.00 0.00 H new ATOM 1852 N GLY A 118 -8.380 24.298 0.737 1.00 0.00 N ATOM 1853 CA GLY A 118 -8.232 25.198 1.868 1.00 0.00 C ATOM 1854 C GLY A 118 -6.928 25.993 1.769 1.00 0.00 C ATOM 1855 O GLY A 118 -6.626 26.569 0.724 1.00 0.00 O ATOM 0 H GLY A 118 -7.941 23.385 0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -9.078 25.884 1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -8.244 24.627 2.796 1.00 0.00 H new TER 1859 GLY A 118