USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 945 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 14 SER OG : rot -102:sc= 1.24 USER MOD Set 1.2: A 90 THR OG1 : rot -40:sc= -1.67! USER MOD Set 1.3: A 110 ASN : amide:sc= 1.97 K(o=1.5,f=0.033) USER MOD Set 2.1: A 5 ASN : amide:sc= -2.09! C(o=-4.4!,f=-1.9!) USER MOD Set 2.2: A 36 GLN : amide:sc= -2.34! C(o=-4.4!,f=-5!) USER MOD Set 3.1: A 16 HIS : no HE2:sc= -1.8 K(o=-3.8,f=-16!) USER MOD Set 3.2: A 92 SER OG : rot 135:sc= -2.55! USER MOD Set 3.3: A 108 CYS SG : rot 109:sc= 0.51 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -152:sc= 0 (180deg=-0.00683) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0.246 K(o=0.25,f=-1.4) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0772 USER MOD Single : A 17 ASN : amide:sc= 0.266 K(o=0.27,f=-2.6!) USER MOD Single : A 23 THR OG1 : rot -27:sc= 0.163 USER MOD Single : A 27 HIS : no HD1:sc= -0.521 X(o=-0.52,f=-0.13) USER MOD Single : A 29 CYS SG : rot 89:sc= -0.115 USER MOD Single : A 32 THR OG1 : rot 82:sc= 0.926 USER MOD Single : A 35 TYR OH : rot -101:sc= 1.82 USER MOD Single : A 38 GLN : amide:sc= -0.0627 K(o=-0.063,f=-0.63) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -2.73! C(o=-2.7!,f=-15!) USER MOD Single : A 49 CYS SG : rot -50:sc= -4.57! USER MOD Single : A 50 HIS : no HE2:sc= 1.01 K(o=1,f=-5.6!) USER MOD Single : A 54 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.67) USER MOD Single : A 55 GLN : amide:sc= -1.88! C(o=-1.9!,f=-7.3!) USER MOD Single : A 60 SER OG : rot 102:sc= 1.23 USER MOD Single : A 62 GLN : amide:sc= -0.0761 K(o=-0.076,f=-0.8) USER MOD Single : A 63 GLN : amide:sc= -0.216 K(o=-0.22,f=-1.3) USER MOD Single : A 66 LYS NZ :NH3+ -172:sc=-0.00147 (180deg=-0.0806) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.22) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 160:sc= -0.125 USER MOD Single : A 81 LYS NZ :NH3+ -149:sc= -0.883 (180deg=-2.54!) USER MOD Single : A 82 ASN : amide:sc= -3.31! C(o=-3.3!,f=-13!) USER MOD Single : A 83 GLN : amide:sc= -0.481 X(o=-0.48,f=-0.55) USER MOD Single : A 88 MET CE :methyl 163:sc= -0.0375 (180deg=-0.583) USER MOD Single : A 91 SER OG : rot 180:sc= -1.48 USER MOD Single : A 94 THR OG1 : rot 40:sc= -1! USER MOD Single : A 96 GLN : amide:sc= -1.36 X(o=-1.4,f=-1.2) USER MOD Single : A 97 ASN : amide:sc= -0.154 K(o=-0.15,f=-8.9!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -79:sc= 1.26 USER MOD Single : A 112 ASN : amide:sc= -0.354 X(o=-0.35,f=-0.3) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -0.249 K(o=-0.25,f=-2) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0.0609 USER MOD Single : A 118 GLN : amide:sc= -1.33! K(o=-1.3!,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.534 15.651 8.161 1.00 0.00 N ATOM 2 CA GLY A 1 -10.359 15.068 7.078 1.00 0.00 C ATOM 3 C GLY A 1 -10.424 15.978 5.874 1.00 0.00 C ATOM 4 O GLY A 1 -10.807 17.142 5.992 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.512 14.999 8.971 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.566 15.805 7.815 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.944 16.559 8.459 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.944 14.104 6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.367 14.882 7.448 1.00 0.00 H new ATOM 10 N ALA A 2 -10.051 15.458 4.714 1.00 0.00 N ATOM 11 CA ALA A 2 -10.031 16.261 3.501 1.00 0.00 C ATOM 12 C ALA A 2 -10.659 15.516 2.328 1.00 0.00 C ATOM 13 O ALA A 2 -11.708 15.926 1.829 1.00 0.00 O ATOM 14 CB ALA A 2 -8.606 16.676 3.169 1.00 0.00 C ATOM 0 H ALA A 2 -9.760 14.489 4.587 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.627 17.156 3.680 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -8.604 17.276 2.259 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -8.197 17.263 3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.994 15.787 3.018 1.00 0.00 H new ATOM 20 N MET A 3 -10.023 14.416 1.919 1.00 0.00 N ATOM 21 CA MET A 3 -10.448 13.636 0.749 1.00 0.00 C ATOM 22 C MET A 3 -10.235 14.433 -0.541 1.00 0.00 C ATOM 23 O MET A 3 -10.841 15.492 -0.735 1.00 0.00 O ATOM 24 CB MET A 3 -11.914 13.196 0.866 1.00 0.00 C ATOM 25 CG MET A 3 -12.423 12.428 -0.336 1.00 0.00 C ATOM 26 SD MET A 3 -14.132 11.883 -0.142 1.00 0.00 S ATOM 27 CE MET A 3 -14.389 11.014 -1.686 1.00 0.00 C ATOM 0 H MET A 3 -9.199 14.039 2.388 1.00 0.00 H new ATOM 0 HA MET A 3 -9.830 12.739 0.714 1.00 0.00 H new ATOM 0 HB2 MET A 3 -12.027 12.576 1.755 1.00 0.00 H new ATOM 0 HB3 MET A 3 -12.537 14.078 1.011 1.00 0.00 H new ATOM 0 HG2 MET A 3 -12.345 13.056 -1.223 1.00 0.00 H new ATOM 0 HG3 MET A 3 -11.786 11.560 -0.504 1.00 0.00 H new ATOM 0 HE1 MET A 3 -15.445 11.052 -1.954 1.00 0.00 H new ATOM 0 HE2 MET A 3 -13.798 11.485 -2.471 1.00 0.00 H new ATOM 0 HE3 MET A 3 -14.081 9.975 -1.574 1.00 0.00 H new ATOM 37 N ASP A 4 -9.373 13.901 -1.412 1.00 0.00 N ATOM 38 CA ASP A 4 -8.967 14.563 -2.659 1.00 0.00 C ATOM 39 C ASP A 4 -7.977 15.684 -2.380 1.00 0.00 C ATOM 40 O ASP A 4 -8.059 16.372 -1.364 1.00 0.00 O ATOM 41 CB ASP A 4 -10.158 15.100 -3.464 1.00 0.00 C ATOM 42 CG ASP A 4 -10.850 14.025 -4.275 1.00 0.00 C ATOM 43 OD1 ASP A 4 -10.277 13.593 -5.303 1.00 0.00 O ATOM 44 OD2 ASP A 4 -11.969 13.614 -3.900 1.00 0.00 O ATOM 0 H ASP A 4 -8.933 12.992 -1.272 1.00 0.00 H new ATOM 0 HA ASP A 4 -8.485 13.799 -3.269 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.877 15.554 -2.782 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -9.813 15.888 -4.133 1.00 0.00 H new ATOM 49 N ASN A 5 -7.036 15.854 -3.287 1.00 0.00 N ATOM 50 CA ASN A 5 -5.957 16.813 -3.110 1.00 0.00 C ATOM 51 C ASN A 5 -5.621 17.423 -4.456 1.00 0.00 C ATOM 52 O ASN A 5 -5.819 18.612 -4.692 1.00 0.00 O ATOM 53 CB ASN A 5 -4.717 16.100 -2.556 1.00 0.00 C ATOM 54 CG ASN A 5 -3.888 16.946 -1.615 1.00 0.00 C ATOM 55 OD1 ASN A 5 -3.051 17.742 -2.040 1.00 0.00 O ATOM 56 ND2 ASN A 5 -4.084 16.728 -0.323 1.00 0.00 N ATOM 0 H ASN A 5 -6.995 15.335 -4.164 1.00 0.00 H new ATOM 0 HA ASN A 5 -6.267 17.590 -2.412 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.033 15.197 -2.033 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.091 15.783 -3.390 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -3.528 17.231 0.369 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.791 16.058 -0.020 1.00 0.00 H new ATOM 63 N VAL A 6 -5.126 16.567 -5.340 1.00 0.00 N ATOM 64 CA VAL A 6 -4.766 16.944 -6.696 1.00 0.00 C ATOM 65 C VAL A 6 -5.126 15.792 -7.629 1.00 0.00 C ATOM 66 O VAL A 6 -4.914 14.628 -7.277 1.00 0.00 O ATOM 67 CB VAL A 6 -3.247 17.241 -6.827 1.00 0.00 C ATOM 68 CG1 VAL A 6 -2.903 17.705 -8.233 1.00 0.00 C ATOM 69 CG2 VAL A 6 -2.797 18.273 -5.805 1.00 0.00 C ATOM 0 H VAL A 6 -4.962 15.582 -5.132 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.310 17.851 -6.958 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.713 16.312 -6.629 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.834 17.906 -8.298 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.170 16.927 -8.948 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.458 18.615 -8.462 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.729 18.459 -5.922 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.347 19.202 -5.959 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.992 17.899 -4.800 1.00 0.00 H new ATOM 79 N CYS A 7 -5.698 16.101 -8.784 1.00 0.00 N ATOM 80 CA CYS A 7 -6.027 15.079 -9.769 1.00 0.00 C ATOM 81 C CYS A 7 -4.745 14.493 -10.356 1.00 0.00 C ATOM 82 O CYS A 7 -4.146 15.059 -11.271 1.00 0.00 O ATOM 83 CB CYS A 7 -6.911 15.668 -10.869 1.00 0.00 C ATOM 84 SG CYS A 7 -8.487 16.321 -10.264 1.00 0.00 S ATOM 0 H CYS A 7 -5.944 17.051 -9.063 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.582 14.278 -9.281 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.366 16.467 -11.372 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.109 14.898 -11.615 1.00 0.00 H new ATOM 0 HG CYS A 7 -9.169 16.801 -11.261 1.00 0.00 H new ATOM 90 N GLN A 8 -4.320 13.373 -9.792 1.00 0.00 N ATOM 91 CA GLN A 8 -3.046 12.760 -10.138 1.00 0.00 C ATOM 92 C GLN A 8 -3.254 11.364 -10.717 1.00 0.00 C ATOM 93 O GLN A 8 -4.375 10.849 -10.703 1.00 0.00 O ATOM 94 CB GLN A 8 -2.168 12.689 -8.885 1.00 0.00 C ATOM 95 CG GLN A 8 -1.901 14.044 -8.256 1.00 0.00 C ATOM 96 CD GLN A 8 -1.445 13.930 -6.819 1.00 0.00 C ATOM 97 OE1 GLN A 8 -0.254 13.850 -6.534 1.00 0.00 O ATOM 98 NE2 GLN A 8 -2.399 13.910 -5.905 1.00 0.00 N ATOM 0 H GLN A 8 -4.847 12.864 -9.083 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.554 13.367 -10.898 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.649 12.044 -8.150 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.217 12.223 -9.143 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.141 14.568 -8.836 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.808 14.648 -8.300 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -3.377 13.979 -6.187 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -2.158 13.825 -4.918 1.00 0.00 H new ATOM 107 N PRO A 9 -2.185 10.753 -11.265 1.00 0.00 N ATOM 108 CA PRO A 9 -2.191 9.344 -11.681 1.00 0.00 C ATOM 109 C PRO A 9 -2.755 8.412 -10.604 1.00 0.00 C ATOM 110 O PRO A 9 -2.734 8.730 -9.413 1.00 0.00 O ATOM 111 CB PRO A 9 -0.709 9.045 -11.906 1.00 0.00 C ATOM 112 CG PRO A 9 -0.110 10.351 -12.291 1.00 0.00 C ATOM 113 CD PRO A 9 -0.898 11.408 -11.567 1.00 0.00 C ATOM 0 HA PRO A 9 -2.822 9.182 -12.555 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.244 8.648 -11.003 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.571 8.300 -12.690 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.943 10.393 -12.013 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.161 10.499 -13.370 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.391 11.730 -10.657 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.037 12.295 -12.185 1.00 0.00 H new ATOM 121 N THR A 10 -3.234 7.256 -11.033 1.00 0.00 N ATOM 122 CA THR A 10 -3.866 6.301 -10.134 1.00 0.00 C ATOM 123 C THR A 10 -2.854 5.349 -9.496 1.00 0.00 C ATOM 124 O THR A 10 -3.167 4.189 -9.212 1.00 0.00 O ATOM 125 CB THR A 10 -4.943 5.492 -10.875 1.00 0.00 C ATOM 126 OG1 THR A 10 -4.569 5.327 -12.253 1.00 0.00 O ATOM 127 CG2 THR A 10 -6.295 6.183 -10.786 1.00 0.00 C ATOM 0 H THR A 10 -3.197 6.953 -12.006 1.00 0.00 H new ATOM 0 HA THR A 10 -4.330 6.879 -9.334 1.00 0.00 H new ATOM 0 HB THR A 10 -5.024 4.513 -10.402 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.258 4.809 -12.719 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.041 5.592 -11.317 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.586 6.279 -9.740 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.228 7.173 -11.237 1.00 0.00 H new ATOM 135 N GLU A 11 -1.635 5.834 -9.306 1.00 0.00 N ATOM 136 CA GLU A 11 -0.615 5.089 -8.585 1.00 0.00 C ATOM 137 C GLU A 11 0.050 5.994 -7.563 1.00 0.00 C ATOM 138 O GLU A 11 0.417 7.122 -7.884 1.00 0.00 O ATOM 139 CB GLU A 11 0.460 4.568 -9.541 1.00 0.00 C ATOM 140 CG GLU A 11 -0.050 3.651 -10.639 1.00 0.00 C ATOM 141 CD GLU A 11 1.067 3.184 -11.547 1.00 0.00 C ATOM 142 OE1 GLU A 11 1.609 4.012 -12.307 1.00 0.00 O ATOM 143 OE2 GLU A 11 1.418 1.990 -11.503 1.00 0.00 O ATOM 0 H GLU A 11 -1.328 6.746 -9.644 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.098 4.245 -8.093 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.959 5.420 -10.002 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.212 4.033 -8.961 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.540 2.786 -10.192 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.803 4.174 -11.229 1.00 0.00 H new ATOM 150 N PHE A 12 0.226 5.506 -6.345 1.00 0.00 N ATOM 151 CA PHE A 12 0.931 6.277 -5.333 1.00 0.00 C ATOM 152 C PHE A 12 1.989 5.427 -4.653 1.00 0.00 C ATOM 153 O PHE A 12 1.869 4.202 -4.584 1.00 0.00 O ATOM 154 CB PHE A 12 -0.034 6.886 -4.302 1.00 0.00 C ATOM 155 CG PHE A 12 -0.727 5.915 -3.377 1.00 0.00 C ATOM 156 CD1 PHE A 12 -1.914 5.304 -3.749 1.00 0.00 C ATOM 157 CD2 PHE A 12 -0.211 5.647 -2.116 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.568 4.443 -2.887 1.00 0.00 C ATOM 159 CE2 PHE A 12 -0.865 4.791 -1.247 1.00 0.00 C ATOM 160 CZ PHE A 12 -2.044 4.187 -1.634 1.00 0.00 C ATOM 0 H PHE A 12 -0.105 4.592 -6.036 1.00 0.00 H new ATOM 0 HA PHE A 12 1.427 7.106 -5.838 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.522 7.600 -3.694 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.797 7.450 -4.839 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.333 5.503 -4.724 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.714 6.113 -1.809 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.489 3.970 -3.193 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.453 4.596 -0.268 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.556 3.516 -0.960 1.00 0.00 H new ATOM 170 N ILE A 13 3.036 6.084 -4.185 1.00 0.00 N ATOM 171 CA ILE A 13 4.125 5.403 -3.507 1.00 0.00 C ATOM 172 C ILE A 13 3.948 5.497 -1.998 1.00 0.00 C ATOM 173 O ILE A 13 3.932 6.589 -1.426 1.00 0.00 O ATOM 174 CB ILE A 13 5.495 5.998 -3.902 1.00 0.00 C ATOM 175 CG1 ILE A 13 5.688 5.925 -5.420 1.00 0.00 C ATOM 176 CG2 ILE A 13 6.624 5.265 -3.185 1.00 0.00 C ATOM 177 CD1 ILE A 13 6.987 6.536 -5.902 1.00 0.00 C ATOM 0 H ILE A 13 3.155 7.094 -4.263 1.00 0.00 H new ATOM 0 HA ILE A 13 4.101 4.357 -3.814 1.00 0.00 H new ATOM 0 HB ILE A 13 5.518 7.045 -3.598 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.651 4.881 -5.732 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.856 6.433 -5.907 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.581 5.698 -3.476 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.494 5.362 -2.107 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.605 4.210 -3.459 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.051 6.446 -6.986 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.019 7.589 -5.623 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.827 6.013 -5.444 1.00 0.00 H new ATOM 189 N SER A 14 3.811 4.355 -1.359 1.00 0.00 N ATOM 190 CA SER A 14 3.629 4.313 0.072 1.00 0.00 C ATOM 191 C SER A 14 4.814 3.624 0.737 1.00 0.00 C ATOM 192 O SER A 14 5.134 2.471 0.435 1.00 0.00 O ATOM 193 CB SER A 14 2.320 3.598 0.421 1.00 0.00 C ATOM 194 OG SER A 14 2.272 2.297 -0.144 1.00 0.00 O ATOM 0 H SER A 14 3.823 3.441 -1.812 1.00 0.00 H new ATOM 0 HA SER A 14 3.572 5.335 0.448 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.219 3.529 1.504 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.476 4.185 0.059 1.00 0.00 H new ATOM 0 HG SER A 14 1.709 2.309 -0.946 1.00 0.00 H new ATOM 200 N ARG A 15 5.482 4.328 1.630 1.00 0.00 N ATOM 201 CA ARG A 15 6.556 3.731 2.394 1.00 0.00 C ATOM 202 C ARG A 15 6.028 3.424 3.779 1.00 0.00 C ATOM 203 O ARG A 15 5.687 4.328 4.547 1.00 0.00 O ATOM 204 CB ARG A 15 7.775 4.648 2.479 1.00 0.00 C ATOM 205 CG ARG A 15 8.328 5.061 1.124 1.00 0.00 C ATOM 206 CD ARG A 15 9.711 5.679 1.259 1.00 0.00 C ATOM 207 NE ARG A 15 9.771 6.655 2.345 1.00 0.00 N ATOM 208 CZ ARG A 15 10.709 7.596 2.455 1.00 0.00 C ATOM 209 NH1 ARG A 15 11.665 7.697 1.538 1.00 0.00 N ATOM 210 NH2 ARG A 15 10.697 8.422 3.493 1.00 0.00 N ATOM 0 H ARG A 15 5.300 5.309 1.843 1.00 0.00 H new ATOM 0 HA ARG A 15 6.886 2.819 1.896 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.506 5.543 3.039 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.559 4.143 3.043 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.378 4.192 0.468 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.652 5.776 0.655 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.444 4.892 1.438 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.985 6.163 0.321 1.00 0.00 H new ATOM 0 HE ARG A 15 9.049 6.614 3.065 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.683 7.053 0.747 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.381 8.418 1.625 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.971 8.336 4.205 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.414 9.143 3.580 1.00 0.00 H new ATOM 224 N HIS A 16 5.936 2.152 4.087 1.00 0.00 N ATOM 225 CA HIS A 16 5.296 1.731 5.312 1.00 0.00 C ATOM 226 C HIS A 16 6.165 0.732 6.052 1.00 0.00 C ATOM 227 O HIS A 16 6.878 -0.053 5.437 1.00 0.00 O ATOM 228 CB HIS A 16 3.896 1.154 5.025 1.00 0.00 C ATOM 229 CG HIS A 16 3.857 -0.084 4.175 1.00 0.00 C ATOM 230 ND1 HIS A 16 2.851 -1.021 4.276 1.00 0.00 N ATOM 231 CD2 HIS A 16 4.674 -0.524 3.192 1.00 0.00 C ATOM 232 CE1 HIS A 16 3.057 -1.980 3.396 1.00 0.00 C ATOM 233 NE2 HIS A 16 4.155 -1.703 2.722 1.00 0.00 N ATOM 0 H HIS A 16 6.295 1.392 3.509 1.00 0.00 H new ATOM 0 HA HIS A 16 5.170 2.603 5.954 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.414 0.933 5.977 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.300 1.925 4.537 1.00 0.00 H new ATOM 0 HD1 HIS A 16 2.069 -0.979 4.930 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.571 -0.036 2.841 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.431 -2.848 3.251 1.00 0.00 H new ATOM 242 N ASN A 17 6.095 0.767 7.372 1.00 0.00 N ATOM 243 CA ASN A 17 6.902 -0.116 8.197 1.00 0.00 C ATOM 244 C ASN A 17 6.410 -1.536 8.012 1.00 0.00 C ATOM 245 O ASN A 17 5.239 -1.740 7.690 1.00 0.00 O ATOM 246 CB ASN A 17 6.814 0.282 9.673 1.00 0.00 C ATOM 247 CG ASN A 17 7.790 -0.506 10.523 1.00 0.00 C ATOM 248 OD1 ASN A 17 8.870 -0.871 10.060 1.00 0.00 O ATOM 249 ND2 ASN A 17 7.414 -0.801 11.755 1.00 0.00 N ATOM 0 H ASN A 17 5.488 1.397 7.895 1.00 0.00 H new ATOM 0 HA ASN A 17 7.946 -0.038 7.892 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.019 1.348 9.776 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.799 0.116 10.035 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.027 -1.349 12.358 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.511 -0.480 12.103 1.00 0.00 H new ATOM 256 N ILE A 18 7.310 -2.499 8.229 1.00 0.00 N ATOM 257 CA ILE A 18 7.105 -3.906 7.854 1.00 0.00 C ATOM 258 C ILE A 18 5.779 -4.481 8.355 1.00 0.00 C ATOM 259 O ILE A 18 5.263 -5.436 7.780 1.00 0.00 O ATOM 260 CB ILE A 18 8.263 -4.792 8.359 1.00 0.00 C ATOM 261 CG1 ILE A 18 8.441 -4.642 9.873 1.00 0.00 C ATOM 262 CG2 ILE A 18 9.553 -4.440 7.629 1.00 0.00 C ATOM 263 CD1 ILE A 18 9.528 -5.525 10.452 1.00 0.00 C ATOM 0 H ILE A 18 8.211 -2.325 8.674 1.00 0.00 H new ATOM 0 HA ILE A 18 7.077 -3.914 6.764 1.00 0.00 H new ATOM 0 HB ILE A 18 8.018 -5.833 8.149 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.672 -3.601 10.101 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.497 -4.874 10.365 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.362 -5.072 7.995 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.421 -4.602 6.559 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.800 -3.394 7.810 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.594 -5.363 11.528 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.290 -6.571 10.257 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.483 -5.278 9.988 1.00 0.00 H new ATOM 275 N GLU A 19 5.238 -3.890 9.414 1.00 0.00 N ATOM 276 CA GLU A 19 3.952 -4.302 9.969 1.00 0.00 C ATOM 277 C GLU A 19 2.814 -3.994 9.002 1.00 0.00 C ATOM 278 O GLU A 19 1.731 -4.573 9.090 1.00 0.00 O ATOM 279 CB GLU A 19 3.708 -3.557 11.275 1.00 0.00 C ATOM 280 CG GLU A 19 4.877 -3.630 12.233 1.00 0.00 C ATOM 281 CD GLU A 19 4.729 -2.683 13.398 1.00 0.00 C ATOM 282 OE1 GLU A 19 4.885 -1.461 13.198 1.00 0.00 O ATOM 283 OE2 GLU A 19 4.457 -3.159 14.520 1.00 0.00 O ATOM 0 H GLU A 19 5.676 -3.114 9.911 1.00 0.00 H new ATOM 0 HA GLU A 19 3.980 -5.378 10.142 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.493 -2.512 11.054 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.823 -3.969 11.760 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.973 -4.649 12.607 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.797 -3.400 11.696 1.00 0.00 H new ATOM 290 N GLY A 20 3.082 -3.084 8.077 1.00 0.00 N ATOM 291 CA GLY A 20 2.063 -2.596 7.180 1.00 0.00 C ATOM 292 C GLY A 20 1.681 -1.157 7.481 1.00 0.00 C ATOM 293 O GLY A 20 0.823 -0.588 6.807 1.00 0.00 O ATOM 0 H GLY A 20 4.004 -2.671 7.933 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.419 -2.669 6.153 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.179 -3.229 7.257 1.00 0.00 H new ATOM 297 N ILE A 21 2.354 -0.555 8.459 1.00 0.00 N ATOM 298 CA ILE A 21 1.962 0.762 8.980 1.00 0.00 C ATOM 299 C ILE A 21 2.499 1.892 8.106 1.00 0.00 C ATOM 300 O ILE A 21 3.709 2.009 7.917 1.00 0.00 O ATOM 301 CB ILE A 21 2.478 0.967 10.425 1.00 0.00 C ATOM 302 CG1 ILE A 21 1.925 -0.112 11.363 1.00 0.00 C ATOM 303 CG2 ILE A 21 2.111 2.357 10.936 1.00 0.00 C ATOM 304 CD1 ILE A 21 0.424 -0.052 11.545 1.00 0.00 C ATOM 0 H ILE A 21 3.176 -0.956 8.911 1.00 0.00 H new ATOM 0 HA ILE A 21 0.872 0.789 8.973 1.00 0.00 H new ATOM 0 HB ILE A 21 3.564 0.880 10.409 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.195 -1.093 10.972 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.404 -0.014 12.337 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.483 2.481 11.953 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.560 3.112 10.291 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.027 2.473 10.929 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.107 -0.846 12.221 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.147 0.915 11.965 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.065 -0.181 10.580 1.00 0.00 H new ATOM 316 N PHE A 22 1.609 2.737 7.594 1.00 0.00 N ATOM 317 CA PHE A 22 2.014 3.823 6.709 1.00 0.00 C ATOM 318 C PHE A 22 2.647 4.962 7.495 1.00 0.00 C ATOM 319 O PHE A 22 2.014 5.549 8.373 1.00 0.00 O ATOM 320 CB PHE A 22 0.817 4.349 5.917 1.00 0.00 C ATOM 321 CG PHE A 22 0.235 3.347 4.965 1.00 0.00 C ATOM 322 CD1 PHE A 22 0.863 3.077 3.759 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.940 2.682 5.268 1.00 0.00 C ATOM 324 CE1 PHE A 22 0.327 2.160 2.876 1.00 0.00 C ATOM 325 CE2 PHE A 22 -1.480 1.768 4.389 1.00 0.00 C ATOM 326 CZ PHE A 22 -0.845 1.507 3.191 1.00 0.00 C ATOM 0 H PHE A 22 0.606 2.691 7.776 1.00 0.00 H new ATOM 0 HA PHE A 22 2.754 3.424 6.015 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.042 4.666 6.615 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.123 5.233 5.358 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.780 3.589 3.507 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.440 2.882 6.204 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.826 1.955 1.940 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.398 1.257 4.637 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.267 0.791 2.501 1.00 0.00 H new ATOM 336 N THR A 23 3.899 5.265 7.177 1.00 0.00 N ATOM 337 CA THR A 23 4.608 6.352 7.829 1.00 0.00 C ATOM 338 C THR A 23 4.996 7.427 6.810 1.00 0.00 C ATOM 339 O THR A 23 5.386 8.538 7.179 1.00 0.00 O ATOM 340 CB THR A 23 5.866 5.842 8.573 1.00 0.00 C ATOM 341 OG1 THR A 23 6.444 6.895 9.357 1.00 0.00 O ATOM 342 CG2 THR A 23 6.903 5.304 7.597 1.00 0.00 C ATOM 0 H THR A 23 4.443 4.771 6.470 1.00 0.00 H new ATOM 0 HA THR A 23 3.935 6.789 8.567 1.00 0.00 H new ATOM 0 HB THR A 23 5.556 5.030 9.231 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.224 7.761 8.954 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.775 4.953 8.149 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.475 4.477 7.031 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.203 6.096 6.911 1.00 0.00 H new ATOM 350 N PHE A 24 4.898 7.087 5.525 1.00 0.00 N ATOM 351 CA PHE A 24 5.104 8.048 4.451 1.00 0.00 C ATOM 352 C PHE A 24 4.213 7.699 3.266 1.00 0.00 C ATOM 353 O PHE A 24 4.333 6.621 2.686 1.00 0.00 O ATOM 354 CB PHE A 24 6.571 8.060 4.013 1.00 0.00 C ATOM 355 CG PHE A 24 6.865 9.031 2.900 1.00 0.00 C ATOM 356 CD1 PHE A 24 7.110 10.366 3.175 1.00 0.00 C ATOM 357 CD2 PHE A 24 6.900 8.605 1.580 1.00 0.00 C ATOM 358 CE1 PHE A 24 7.381 11.258 2.156 1.00 0.00 C ATOM 359 CE2 PHE A 24 7.171 9.493 0.558 1.00 0.00 C ATOM 360 CZ PHE A 24 7.411 10.821 0.846 1.00 0.00 C ATOM 0 H PHE A 24 4.675 6.145 5.205 1.00 0.00 H new ATOM 0 HA PHE A 24 4.843 9.040 4.818 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.195 8.307 4.872 1.00 0.00 H new ATOM 0 HB3 PHE A 24 6.853 7.057 3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.089 10.713 4.197 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.713 7.567 1.349 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.569 12.297 2.383 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.195 9.149 -0.465 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.622 11.518 0.048 1.00 0.00 H new ATOM 370 N VAL A 25 3.310 8.604 2.921 1.00 0.00 N ATOM 371 CA VAL A 25 2.393 8.378 1.814 1.00 0.00 C ATOM 372 C VAL A 25 2.525 9.475 0.766 1.00 0.00 C ATOM 373 O VAL A 25 2.546 10.663 1.095 1.00 0.00 O ATOM 374 CB VAL A 25 0.926 8.319 2.299 1.00 0.00 C ATOM 375 CG1 VAL A 25 -0.026 8.160 1.121 1.00 0.00 C ATOM 376 CG2 VAL A 25 0.739 7.183 3.295 1.00 0.00 C ATOM 0 H VAL A 25 3.192 9.501 3.391 1.00 0.00 H new ATOM 0 HA VAL A 25 2.659 7.418 1.371 1.00 0.00 H new ATOM 0 HB VAL A 25 0.694 9.259 2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.053 8.121 1.485 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.087 9.008 0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.205 7.238 0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.299 7.156 3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.992 6.236 2.819 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.390 7.342 4.155 1.00 0.00 H new ATOM 386 N ASP A 26 2.638 9.067 -0.491 1.00 0.00 N ATOM 387 CA ASP A 26 2.651 9.992 -1.614 1.00 0.00 C ATOM 388 C ASP A 26 1.248 10.540 -1.879 1.00 0.00 C ATOM 389 O ASP A 26 0.249 9.848 -1.691 1.00 0.00 O ATOM 390 CB ASP A 26 3.213 9.266 -2.841 1.00 0.00 C ATOM 391 CG ASP A 26 2.876 9.925 -4.158 1.00 0.00 C ATOM 392 OD1 ASP A 26 3.014 11.159 -4.276 1.00 0.00 O ATOM 393 OD2 ASP A 26 2.468 9.194 -5.082 1.00 0.00 O ATOM 0 H ASP A 26 2.723 8.087 -0.760 1.00 0.00 H new ATOM 0 HA ASP A 26 3.288 10.846 -1.384 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.297 9.202 -2.746 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.833 8.245 -2.851 1.00 0.00 H new ATOM 398 N HIS A 27 1.201 11.783 -2.346 1.00 0.00 N ATOM 399 CA HIS A 27 -0.035 12.564 -2.433 1.00 0.00 C ATOM 400 C HIS A 27 -1.010 11.988 -3.451 1.00 0.00 C ATOM 401 O HIS A 27 -2.189 12.345 -3.454 1.00 0.00 O ATOM 402 CB HIS A 27 0.282 14.010 -2.818 1.00 0.00 C ATOM 403 CG HIS A 27 1.379 14.643 -2.013 1.00 0.00 C ATOM 404 ND1 HIS A 27 2.670 14.765 -2.475 1.00 0.00 N ATOM 405 CD2 HIS A 27 1.373 15.193 -0.774 1.00 0.00 C ATOM 406 CE1 HIS A 27 3.410 15.356 -1.560 1.00 0.00 C ATOM 407 NE2 HIS A 27 2.651 15.627 -0.518 1.00 0.00 N ATOM 0 H HIS A 27 2.025 12.284 -2.678 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.504 12.525 -1.450 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.559 14.040 -3.872 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -0.623 14.608 -2.709 1.00 0.00 H new ATOM 0 HD2 HIS A 27 0.523 15.275 -0.112 1.00 0.00 H new ATOM 0 HE1 HIS A 27 4.463 15.581 -1.649 1.00 0.00 H new ATOM 0 HE2 HIS A 27 2.962 16.084 0.339 1.00 0.00 H new ATOM 416 N ARG A 28 -0.523 11.110 -4.313 1.00 0.00 N ATOM 417 CA ARG A 28 -1.355 10.515 -5.351 1.00 0.00 C ATOM 418 C ARG A 28 -2.366 9.533 -4.752 1.00 0.00 C ATOM 419 O ARG A 28 -3.219 8.989 -5.460 1.00 0.00 O ATOM 420 CB ARG A 28 -0.470 9.821 -6.390 1.00 0.00 C ATOM 421 CG ARG A 28 0.552 10.754 -7.029 1.00 0.00 C ATOM 422 CD ARG A 28 1.576 9.988 -7.851 1.00 0.00 C ATOM 423 NE ARG A 28 2.649 10.851 -8.354 1.00 0.00 N ATOM 424 CZ ARG A 28 3.921 10.773 -7.950 1.00 0.00 C ATOM 425 NH1 ARG A 28 4.264 9.963 -6.960 1.00 0.00 N ATOM 426 NH2 ARG A 28 4.846 11.541 -8.511 1.00 0.00 N ATOM 0 H ARG A 28 0.446 10.792 -4.316 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.920 11.308 -5.842 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.053 8.991 -5.916 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.102 9.396 -7.170 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.039 11.474 -7.666 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.062 11.323 -6.251 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.008 9.195 -7.241 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.076 9.507 -8.692 1.00 0.00 H new ATOM 0 HE ARG A 28 2.411 11.553 -9.054 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.555 9.392 -6.499 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.237 9.910 -6.658 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.587 12.192 -9.252 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.816 11.480 -8.201 1.00 0.00 H new ATOM 440 N CYS A 29 -2.273 9.324 -3.441 1.00 0.00 N ATOM 441 CA CYS A 29 -3.206 8.466 -2.723 1.00 0.00 C ATOM 442 C CYS A 29 -4.621 9.018 -2.795 1.00 0.00 C ATOM 443 O CYS A 29 -5.593 8.265 -2.892 1.00 0.00 O ATOM 444 CB CYS A 29 -2.766 8.329 -1.272 1.00 0.00 C ATOM 445 SG CYS A 29 -2.601 9.909 -0.419 1.00 0.00 S ATOM 0 H CYS A 29 -1.553 9.742 -2.852 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.205 7.483 -3.194 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.488 7.711 -0.738 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.811 7.805 -1.238 1.00 0.00 H new ATOM 0 HG CYS A 29 -3.742 10.238 0.110 1.00 0.00 H new ATOM 451 N VAL A 30 -4.725 10.338 -2.768 1.00 0.00 N ATOM 452 CA VAL A 30 -6.011 11.006 -2.809 1.00 0.00 C ATOM 453 C VAL A 30 -6.758 10.649 -4.087 1.00 0.00 C ATOM 454 O VAL A 30 -7.959 10.389 -4.065 1.00 0.00 O ATOM 455 CB VAL A 30 -5.835 12.536 -2.692 1.00 0.00 C ATOM 456 CG1 VAL A 30 -4.969 12.874 -1.492 1.00 0.00 C ATOM 457 CG2 VAL A 30 -5.229 13.132 -3.956 1.00 0.00 C ATOM 0 H VAL A 30 -3.926 10.970 -2.717 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.601 10.664 -1.959 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.825 12.972 -2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.852 13.955 -1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.442 12.499 -0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.989 12.410 -1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.121 14.210 -3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.250 12.687 -4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.882 12.926 -4.804 1.00 0.00 H new ATOM 467 N ALA A 31 -6.026 10.587 -5.189 1.00 0.00 N ATOM 468 CA ALA A 31 -6.621 10.275 -6.476 1.00 0.00 C ATOM 469 C ALA A 31 -6.939 8.790 -6.568 1.00 0.00 C ATOM 470 O ALA A 31 -8.052 8.405 -6.925 1.00 0.00 O ATOM 471 CB ALA A 31 -5.691 10.696 -7.603 1.00 0.00 C ATOM 0 H ALA A 31 -5.019 10.749 -5.216 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.554 10.831 -6.573 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.150 10.456 -8.562 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.512 11.770 -7.545 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.744 10.165 -7.511 1.00 0.00 H new ATOM 477 N THR A 32 -5.946 7.973 -6.250 1.00 0.00 N ATOM 478 CA THR A 32 -6.094 6.526 -6.240 1.00 0.00 C ATOM 479 C THR A 32 -7.292 6.058 -5.408 1.00 0.00 C ATOM 480 O THR A 32 -8.157 5.337 -5.908 1.00 0.00 O ATOM 481 CB THR A 32 -4.816 5.866 -5.692 1.00 0.00 C ATOM 482 OG1 THR A 32 -3.668 6.386 -6.379 1.00 0.00 O ATOM 483 CG2 THR A 32 -4.865 4.357 -5.863 1.00 0.00 C ATOM 0 H THR A 32 -5.014 8.296 -5.991 1.00 0.00 H new ATOM 0 HA THR A 32 -6.268 6.224 -7.273 1.00 0.00 H new ATOM 0 HB THR A 32 -4.746 6.093 -4.628 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.414 7.247 -5.986 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.950 3.916 -5.468 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.723 3.957 -5.323 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.957 4.114 -6.921 1.00 0.00 H new ATOM 491 N VAL A 33 -7.360 6.472 -4.144 1.00 0.00 N ATOM 492 CA VAL A 33 -8.367 5.930 -3.241 1.00 0.00 C ATOM 493 C VAL A 33 -9.189 7.009 -2.538 1.00 0.00 C ATOM 494 O VAL A 33 -10.347 6.778 -2.197 1.00 0.00 O ATOM 495 CB VAL A 33 -7.740 4.988 -2.187 1.00 0.00 C ATOM 496 CG1 VAL A 33 -7.235 3.715 -2.846 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.610 5.678 -1.436 1.00 0.00 C ATOM 0 H VAL A 33 -6.741 7.169 -3.730 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.046 5.360 -3.875 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.515 4.727 -1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.797 3.063 -2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.066 3.202 -3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.480 3.966 -3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.189 4.991 -0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.834 5.977 -2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.997 6.561 -0.927 1.00 0.00 H new ATOM 507 N GLY A 34 -8.619 8.185 -2.320 1.00 0.00 N ATOM 508 CA GLY A 34 -9.356 9.213 -1.612 1.00 0.00 C ATOM 509 C GLY A 34 -8.710 9.617 -0.306 1.00 0.00 C ATOM 510 O GLY A 34 -8.989 10.695 0.213 1.00 0.00 O ATOM 0 H GLY A 34 -7.677 8.444 -2.614 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.447 10.091 -2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.367 8.856 -1.415 1.00 0.00 H new ATOM 514 N TYR A 35 -7.873 8.746 0.245 1.00 0.00 N ATOM 515 CA TYR A 35 -7.145 9.077 1.463 1.00 0.00 C ATOM 516 C TYR A 35 -6.078 10.097 1.152 1.00 0.00 C ATOM 517 O TYR A 35 -5.453 10.045 0.097 1.00 0.00 O ATOM 518 CB TYR A 35 -6.463 7.853 2.085 1.00 0.00 C ATOM 519 CG TYR A 35 -7.401 6.779 2.579 1.00 0.00 C ATOM 520 CD1 TYR A 35 -8.577 7.106 3.234 1.00 0.00 C ATOM 521 CD2 TYR A 35 -7.097 5.437 2.404 1.00 0.00 C ATOM 522 CE1 TYR A 35 -9.430 6.127 3.700 1.00 0.00 C ATOM 523 CE2 TYR A 35 -7.942 4.451 2.868 1.00 0.00 C ATOM 524 CZ TYR A 35 -9.109 4.803 3.513 1.00 0.00 C ATOM 525 OH TYR A 35 -9.956 3.828 3.978 1.00 0.00 O ATOM 0 H TYR A 35 -7.683 7.816 -0.127 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.874 9.467 2.174 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.792 7.416 1.346 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.845 8.186 2.919 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.830 8.145 3.382 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.185 5.160 1.897 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.343 6.399 4.208 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.692 3.410 2.727 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.605 3.462 4.816 1.00 0.00 H new ATOM 535 N GLN A 36 -5.868 11.018 2.062 1.00 0.00 N ATOM 536 CA GLN A 36 -4.756 11.935 1.930 1.00 0.00 C ATOM 537 C GLN A 36 -3.537 11.275 2.542 1.00 0.00 C ATOM 538 O GLN A 36 -3.690 10.331 3.322 1.00 0.00 O ATOM 539 CB GLN A 36 -5.023 13.263 2.650 1.00 0.00 C ATOM 540 CG GLN A 36 -6.440 13.786 2.511 1.00 0.00 C ATOM 541 CD GLN A 36 -6.821 14.098 1.087 1.00 0.00 C ATOM 542 OE1 GLN A 36 -7.331 13.244 0.370 1.00 0.00 O ATOM 543 NE2 GLN A 36 -6.591 15.331 0.674 1.00 0.00 N ATOM 0 H GLN A 36 -6.443 11.154 2.893 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.605 12.158 0.874 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.799 13.138 3.709 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.334 14.014 2.265 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.134 13.047 2.912 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.549 14.687 3.115 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.164 16.009 1.305 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.840 15.605 -0.276 1.00 0.00 H new ATOM 552 N PRO A 37 -2.320 11.736 2.215 1.00 0.00 N ATOM 553 CA PRO A 37 -1.113 11.210 2.839 1.00 0.00 C ATOM 554 C PRO A 37 -1.273 11.193 4.350 1.00 0.00 C ATOM 555 O PRO A 37 -1.116 10.161 5.000 1.00 0.00 O ATOM 556 CB PRO A 37 -0.032 12.204 2.415 1.00 0.00 C ATOM 557 CG PRO A 37 -0.521 12.760 1.123 1.00 0.00 C ATOM 558 CD PRO A 37 -2.023 12.783 1.217 1.00 0.00 C ATOM 0 HA PRO A 37 -0.881 10.187 2.544 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.100 12.989 3.160 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.934 11.713 2.295 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.126 13.762 0.956 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.193 12.145 0.285 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.391 13.758 1.536 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.489 12.566 0.256 1.00 0.00 H new ATOM 566 N GLN A 38 -1.686 12.339 4.868 1.00 0.00 N ATOM 567 CA GLN A 38 -1.911 12.515 6.293 1.00 0.00 C ATOM 568 C GLN A 38 -2.940 11.516 6.820 1.00 0.00 C ATOM 569 O GLN A 38 -2.704 10.859 7.833 1.00 0.00 O ATOM 570 CB GLN A 38 -2.374 13.947 6.571 1.00 0.00 C ATOM 571 CG GLN A 38 -1.382 15.004 6.112 1.00 0.00 C ATOM 572 CD GLN A 38 -0.019 14.848 6.757 1.00 0.00 C ATOM 573 OE1 GLN A 38 0.101 14.386 7.893 1.00 0.00 O ATOM 574 NE2 GLN A 38 1.021 15.235 6.039 1.00 0.00 N ATOM 0 H GLN A 38 -1.875 13.173 4.312 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.971 12.331 6.813 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.329 14.115 6.073 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.548 14.063 7.641 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.275 14.950 5.029 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.778 15.993 6.344 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.882 15.613 5.102 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.963 15.156 6.422 1.00 0.00 H new ATOM 583 N GLU A 39 -4.054 11.365 6.101 1.00 0.00 N ATOM 584 CA GLU A 39 -5.162 10.533 6.567 1.00 0.00 C ATOM 585 C GLU A 39 -4.754 9.067 6.656 1.00 0.00 C ATOM 586 O GLU A 39 -5.313 8.307 7.449 1.00 0.00 O ATOM 587 CB GLU A 39 -6.385 10.675 5.649 1.00 0.00 C ATOM 588 CG GLU A 39 -7.005 12.063 5.654 1.00 0.00 C ATOM 589 CD GLU A 39 -8.294 12.124 4.856 1.00 0.00 C ATOM 590 OE1 GLU A 39 -8.333 11.573 3.737 1.00 0.00 O ATOM 591 OE2 GLU A 39 -9.278 12.724 5.341 1.00 0.00 O ATOM 0 H GLU A 39 -4.212 11.808 5.196 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.429 10.882 7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.092 10.423 4.630 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.140 9.950 5.952 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.203 12.366 6.682 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.292 12.778 5.243 1.00 0.00 H new ATOM 598 N LEU A 40 -3.780 8.672 5.848 1.00 0.00 N ATOM 599 CA LEU A 40 -3.347 7.286 5.808 1.00 0.00 C ATOM 600 C LEU A 40 -2.243 7.033 6.837 1.00 0.00 C ATOM 601 O LEU A 40 -2.063 5.907 7.308 1.00 0.00 O ATOM 602 CB LEU A 40 -2.866 6.943 4.394 1.00 0.00 C ATOM 603 CG LEU A 40 -2.702 5.451 4.098 1.00 0.00 C ATOM 604 CD1 LEU A 40 -4.007 4.714 4.351 1.00 0.00 C ATOM 605 CD2 LEU A 40 -2.249 5.240 2.661 1.00 0.00 C ATOM 0 H LEU A 40 -3.277 9.292 5.213 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.188 6.641 6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.572 7.362 3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.909 7.437 4.225 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.939 5.050 4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.874 3.654 4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.299 4.839 5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.785 5.120 3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.137 4.173 2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.992 5.656 1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.293 5.739 2.504 1.00 0.00 H new ATOM 617 N LEU A 41 -1.507 8.087 7.180 1.00 0.00 N ATOM 618 CA LEU A 41 -0.419 7.981 8.150 1.00 0.00 C ATOM 619 C LEU A 41 -0.934 7.555 9.518 1.00 0.00 C ATOM 620 O LEU A 41 -1.780 8.223 10.113 1.00 0.00 O ATOM 621 CB LEU A 41 0.333 9.307 8.277 1.00 0.00 C ATOM 622 CG LEU A 41 0.977 9.812 6.989 1.00 0.00 C ATOM 623 CD1 LEU A 41 1.675 11.140 7.222 1.00 0.00 C ATOM 624 CD2 LEU A 41 1.950 8.781 6.444 1.00 0.00 C ATOM 0 H LEU A 41 -1.644 9.024 6.801 1.00 0.00 H new ATOM 0 HA LEU A 41 0.266 7.217 7.782 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.360 10.066 8.641 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.110 9.195 9.034 1.00 0.00 H new ATOM 0 HG LEU A 41 0.192 9.968 6.250 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.127 11.482 6.291 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.949 11.877 7.565 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.451 11.016 7.978 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.401 9.156 5.525 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.731 8.592 7.181 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.417 7.853 6.234 1.00 0.00 H new ATOM 636 N GLY A 42 -0.417 6.437 10.007 1.00 0.00 N ATOM 637 CA GLY A 42 -0.807 5.946 11.312 1.00 0.00 C ATOM 638 C GLY A 42 -1.727 4.749 11.214 1.00 0.00 C ATOM 639 O GLY A 42 -2.080 4.140 12.227 1.00 0.00 O ATOM 0 H GLY A 42 0.269 5.859 9.520 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.084 5.674 11.878 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.305 6.742 11.865 1.00 0.00 H new ATOM 643 N LYS A 43 -2.123 4.418 9.994 1.00 0.00 N ATOM 644 CA LYS A 43 -2.984 3.275 9.747 1.00 0.00 C ATOM 645 C LYS A 43 -2.195 2.161 9.069 1.00 0.00 C ATOM 646 O LYS A 43 -1.162 2.414 8.444 1.00 0.00 O ATOM 647 CB LYS A 43 -4.158 3.695 8.862 1.00 0.00 C ATOM 648 CG LYS A 43 -5.047 4.777 9.468 1.00 0.00 C ATOM 649 CD LYS A 43 -6.195 4.198 10.287 1.00 0.00 C ATOM 650 CE LYS A 43 -5.719 3.521 11.563 1.00 0.00 C ATOM 651 NZ LYS A 43 -6.855 2.965 12.345 1.00 0.00 N ATOM 0 H LYS A 43 -1.858 4.931 9.153 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.366 2.906 10.699 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.769 4.053 7.909 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.768 2.818 8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.443 5.426 10.103 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.452 5.399 8.670 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.893 4.995 10.542 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.742 3.477 9.680 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.023 2.721 11.313 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.173 4.239 12.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.493 2.511 13.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.506 3.733 12.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.361 2.262 11.770 1.00 0.00 H new ATOM 665 N ASN A 44 -2.668 0.931 9.209 1.00 0.00 N ATOM 666 CA ASN A 44 -2.053 -0.207 8.538 1.00 0.00 C ATOM 667 C ASN A 44 -2.820 -0.515 7.259 1.00 0.00 C ATOM 668 O ASN A 44 -4.040 -0.358 7.203 1.00 0.00 O ATOM 669 CB ASN A 44 -2.064 -1.434 9.463 1.00 0.00 C ATOM 670 CG ASN A 44 -1.117 -2.538 9.014 1.00 0.00 C ATOM 671 OD1 ASN A 44 -0.957 -2.798 7.823 1.00 0.00 O ATOM 672 ND2 ASN A 44 -0.468 -3.189 9.967 1.00 0.00 N ATOM 0 H ASN A 44 -3.478 0.694 9.782 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.020 0.037 8.291 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.794 -1.122 10.472 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.077 -1.833 9.513 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.188 -3.931 9.722 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.624 -2.948 10.946 1.00 0.00 H new ATOM 679 N ILE A 45 -2.099 -0.946 6.233 1.00 0.00 N ATOM 680 CA ILE A 45 -2.705 -1.323 4.962 1.00 0.00 C ATOM 681 C ILE A 45 -3.689 -2.484 5.148 1.00 0.00 C ATOM 682 O ILE A 45 -4.696 -2.562 4.453 1.00 0.00 O ATOM 683 CB ILE A 45 -1.622 -1.697 3.920 1.00 0.00 C ATOM 684 CG1 ILE A 45 -2.259 -2.040 2.569 1.00 0.00 C ATOM 685 CG2 ILE A 45 -0.759 -2.849 4.420 1.00 0.00 C ATOM 686 CD1 ILE A 45 -1.247 -2.331 1.479 1.00 0.00 C ATOM 0 H ILE A 45 -1.084 -1.044 6.257 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.257 -0.460 4.588 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.977 -0.829 3.780 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.908 -2.907 2.692 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.892 -1.210 2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.006 -3.092 3.670 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.266 -2.558 5.348 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.386 -3.722 4.601 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.769 -2.566 0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.614 -1.457 1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.630 -3.180 1.773 1.00 0.00 H new ATOM 698 N VAL A 46 -3.395 -3.370 6.099 1.00 0.00 N ATOM 699 CA VAL A 46 -4.280 -4.487 6.420 1.00 0.00 C ATOM 700 C VAL A 46 -5.586 -3.994 7.065 1.00 0.00 C ATOM 701 O VAL A 46 -6.610 -4.675 7.013 1.00 0.00 O ATOM 702 CB VAL A 46 -3.582 -5.511 7.351 1.00 0.00 C ATOM 703 CG1 VAL A 46 -3.434 -4.971 8.766 1.00 0.00 C ATOM 704 CG2 VAL A 46 -4.324 -6.839 7.356 1.00 0.00 C ATOM 0 H VAL A 46 -2.546 -3.334 6.663 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.523 -4.985 5.481 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.581 -5.681 6.955 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.941 -5.716 9.390 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.836 -4.060 8.747 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.419 -4.750 9.176 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.813 -7.539 8.017 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.344 -6.685 7.709 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.348 -7.246 6.345 1.00 0.00 H new ATOM 714 N GLU A 47 -5.551 -2.800 7.651 1.00 0.00 N ATOM 715 CA GLU A 47 -6.743 -2.203 8.253 1.00 0.00 C ATOM 716 C GLU A 47 -7.716 -1.754 7.171 1.00 0.00 C ATOM 717 O GLU A 47 -8.934 -1.761 7.360 1.00 0.00 O ATOM 718 CB GLU A 47 -6.355 -1.016 9.132 1.00 0.00 C ATOM 719 CG GLU A 47 -5.549 -1.405 10.359 1.00 0.00 C ATOM 720 CD GLU A 47 -6.386 -2.118 11.399 1.00 0.00 C ATOM 721 OE1 GLU A 47 -7.106 -1.431 12.156 1.00 0.00 O ATOM 722 OE2 GLU A 47 -6.333 -3.363 11.468 1.00 0.00 O ATOM 0 H GLU A 47 -4.711 -2.226 7.722 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.231 -2.956 8.873 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.777 -0.308 8.538 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.260 -0.500 9.451 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.723 -2.049 10.058 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.111 -0.510 10.801 1.00 0.00 H new ATOM 729 N PHE A 48 -7.169 -1.355 6.036 1.00 0.00 N ATOM 730 CA PHE A 48 -7.981 -0.987 4.891 1.00 0.00 C ATOM 731 C PHE A 48 -7.894 -2.074 3.838 1.00 0.00 C ATOM 732 O PHE A 48 -8.180 -1.850 2.661 1.00 0.00 O ATOM 733 CB PHE A 48 -7.534 0.348 4.307 1.00 0.00 C ATOM 734 CG PHE A 48 -7.580 1.472 5.295 1.00 0.00 C ATOM 735 CD1 PHE A 48 -8.771 1.823 5.915 1.00 0.00 C ATOM 736 CD2 PHE A 48 -6.434 2.181 5.604 1.00 0.00 C ATOM 737 CE1 PHE A 48 -8.811 2.861 6.827 1.00 0.00 C ATOM 738 CE2 PHE A 48 -6.470 3.217 6.511 1.00 0.00 C ATOM 739 CZ PHE A 48 -7.658 3.559 7.124 1.00 0.00 C ATOM 0 H PHE A 48 -6.163 -1.278 5.883 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.015 -0.879 5.219 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.517 0.248 3.928 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.169 0.595 3.456 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.675 1.280 5.683 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.500 1.920 5.129 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.742 3.125 7.306 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.567 3.762 6.743 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.686 4.371 7.835 1.00 0.00 H new ATOM 749 N CYS A 49 -7.483 -3.252 4.277 1.00 0.00 N ATOM 750 CA CYS A 49 -7.396 -4.405 3.405 1.00 0.00 C ATOM 751 C CYS A 49 -8.670 -5.228 3.485 1.00 0.00 C ATOM 752 O CYS A 49 -9.182 -5.497 4.575 1.00 0.00 O ATOM 753 CB CYS A 49 -6.201 -5.270 3.784 1.00 0.00 C ATOM 754 SG CYS A 49 -6.107 -6.815 2.864 1.00 0.00 S ATOM 0 H CYS A 49 -7.203 -3.433 5.241 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.267 -4.050 2.383 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.285 -4.702 3.618 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.249 -5.494 4.850 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.260 -7.415 2.904 1.00 0.00 H new ATOM 760 N HIS A 50 -9.189 -5.578 2.312 1.00 0.00 N ATOM 761 CA HIS A 50 -10.360 -6.440 2.189 1.00 0.00 C ATOM 762 C HIS A 50 -10.200 -7.680 3.075 1.00 0.00 C ATOM 763 O HIS A 50 -9.198 -8.378 2.993 1.00 0.00 O ATOM 764 CB HIS A 50 -10.521 -6.835 0.719 1.00 0.00 C ATOM 765 CG HIS A 50 -11.859 -7.404 0.372 1.00 0.00 C ATOM 766 ND1 HIS A 50 -12.035 -8.693 -0.069 1.00 0.00 N ATOM 767 CD2 HIS A 50 -13.085 -6.838 0.378 1.00 0.00 C ATOM 768 CE1 HIS A 50 -13.314 -8.899 -0.319 1.00 0.00 C ATOM 769 NE2 HIS A 50 -13.973 -7.786 -0.054 1.00 0.00 N ATOM 0 H HIS A 50 -8.808 -5.271 1.417 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.253 -5.909 2.521 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -10.342 -5.957 0.098 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.753 -7.566 0.466 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -11.293 -9.383 -0.185 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.321 -5.825 0.670 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.748 -9.820 -0.679 1.00 0.00 H new ATOM 778 N PRO A 51 -11.201 -7.948 3.939 1.00 0.00 N ATOM 779 CA PRO A 51 -11.128 -8.984 4.992 1.00 0.00 C ATOM 780 C PRO A 51 -10.691 -10.358 4.494 1.00 0.00 C ATOM 781 O PRO A 51 -10.079 -11.128 5.237 1.00 0.00 O ATOM 782 CB PRO A 51 -12.559 -9.053 5.519 1.00 0.00 C ATOM 783 CG PRO A 51 -13.123 -7.703 5.255 1.00 0.00 C ATOM 784 CD PRO A 51 -12.496 -7.239 3.971 1.00 0.00 C ATOM 0 HA PRO A 51 -10.376 -8.721 5.736 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.132 -9.828 5.010 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -12.578 -9.289 6.583 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -14.209 -7.744 5.167 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.895 -7.018 6.071 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.113 -7.493 3.109 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.361 -6.157 3.959 1.00 0.00 H new ATOM 792 N GLU A 52 -10.992 -10.663 3.241 1.00 0.00 N ATOM 793 CA GLU A 52 -10.666 -11.966 2.675 1.00 0.00 C ATOM 794 C GLU A 52 -9.229 -11.989 2.167 1.00 0.00 C ATOM 795 O GLU A 52 -8.696 -13.043 1.814 1.00 0.00 O ATOM 796 CB GLU A 52 -11.608 -12.290 1.516 1.00 0.00 C ATOM 797 CG GLU A 52 -13.082 -12.115 1.842 1.00 0.00 C ATOM 798 CD GLU A 52 -13.534 -12.984 2.994 1.00 0.00 C ATOM 799 OE1 GLU A 52 -13.677 -14.209 2.803 1.00 0.00 O ATOM 800 OE2 GLU A 52 -13.755 -12.445 4.095 1.00 0.00 O ATOM 0 H GLU A 52 -11.461 -10.027 2.596 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.781 -12.712 3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.357 -11.651 0.669 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.437 -13.319 1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.274 -11.070 2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.675 -12.352 0.959 1.00 0.00 H new ATOM 807 N ASP A 53 -8.598 -10.825 2.156 1.00 0.00 N ATOM 808 CA ASP A 53 -7.309 -10.653 1.507 1.00 0.00 C ATOM 809 C ASP A 53 -6.261 -10.183 2.507 1.00 0.00 C ATOM 810 O ASP A 53 -5.109 -9.961 2.152 1.00 0.00 O ATOM 811 CB ASP A 53 -7.432 -9.630 0.372 1.00 0.00 C ATOM 812 CG ASP A 53 -8.521 -9.988 -0.625 1.00 0.00 C ATOM 813 OD1 ASP A 53 -9.712 -9.751 -0.324 1.00 0.00 O ATOM 814 OD2 ASP A 53 -8.198 -10.501 -1.710 1.00 0.00 O ATOM 0 H ASP A 53 -8.962 -9.979 2.594 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.996 -11.615 1.100 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.641 -8.648 0.795 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.478 -9.556 -0.150 1.00 0.00 H new ATOM 819 N GLN A 54 -6.664 -10.038 3.763 1.00 0.00 N ATOM 820 CA GLN A 54 -5.769 -9.547 4.805 1.00 0.00 C ATOM 821 C GLN A 54 -4.560 -10.464 4.973 1.00 0.00 C ATOM 822 O GLN A 54 -3.428 -9.993 5.111 1.00 0.00 O ATOM 823 CB GLN A 54 -6.524 -9.396 6.127 1.00 0.00 C ATOM 824 CG GLN A 54 -7.682 -8.414 6.040 1.00 0.00 C ATOM 825 CD GLN A 54 -8.340 -8.142 7.380 1.00 0.00 C ATOM 826 OE1 GLN A 54 -8.356 -8.993 8.266 1.00 0.00 O ATOM 827 NE2 GLN A 54 -8.895 -6.949 7.530 1.00 0.00 N ATOM 0 H GLN A 54 -7.607 -10.254 4.086 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.401 -8.567 4.501 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.903 -10.370 6.436 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.830 -9.064 6.900 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.322 -7.474 5.623 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.429 -8.804 5.349 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.860 -6.271 6.769 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.358 -6.708 8.406 1.00 0.00 H new ATOM 836 N GLN A 55 -4.792 -11.769 4.942 1.00 0.00 N ATOM 837 CA GLN A 55 -3.696 -12.727 5.010 1.00 0.00 C ATOM 838 C GLN A 55 -2.924 -12.761 3.699 1.00 0.00 C ATOM 839 O GLN A 55 -1.728 -13.047 3.686 1.00 0.00 O ATOM 840 CB GLN A 55 -4.201 -14.123 5.370 1.00 0.00 C ATOM 841 CG GLN A 55 -4.508 -14.291 6.849 1.00 0.00 C ATOM 842 CD GLN A 55 -3.308 -13.975 7.726 1.00 0.00 C ATOM 843 OE1 GLN A 55 -3.129 -12.841 8.173 1.00 0.00 O ATOM 844 NE2 GLN A 55 -2.470 -14.974 7.964 1.00 0.00 N ATOM 0 H GLN A 55 -5.720 -12.186 4.871 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.020 -12.399 5.800 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.101 -14.336 4.793 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.453 -14.859 5.076 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.337 -13.638 7.122 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.833 -15.314 7.037 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.655 -15.899 7.575 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.640 -14.818 8.536 1.00 0.00 H new ATOM 853 N LEU A 56 -3.616 -12.451 2.605 1.00 0.00 N ATOM 854 CA LEU A 56 -2.986 -12.339 1.291 1.00 0.00 C ATOM 855 C LEU A 56 -1.891 -11.284 1.344 1.00 0.00 C ATOM 856 O LEU A 56 -0.787 -11.482 0.834 1.00 0.00 O ATOM 857 CB LEU A 56 -4.039 -11.957 0.240 1.00 0.00 C ATOM 858 CG LEU A 56 -3.498 -11.491 -1.118 1.00 0.00 C ATOM 859 CD1 LEU A 56 -2.957 -12.654 -1.926 1.00 0.00 C ATOM 860 CD2 LEU A 56 -4.579 -10.764 -1.899 1.00 0.00 C ATOM 0 H LEU A 56 -4.620 -12.272 2.603 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.546 -13.297 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.687 -12.818 0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.663 -11.163 0.652 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.675 -10.802 -0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.582 -12.289 -2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.146 -13.133 -1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.753 -13.377 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.178 -10.440 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.422 -11.435 -2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.914 -9.894 -1.334 1.00 0.00 H new ATOM 872 N LEU A 57 -2.214 -10.171 1.984 1.00 0.00 N ATOM 873 CA LEU A 57 -1.273 -9.079 2.184 1.00 0.00 C ATOM 874 C LEU A 57 -0.091 -9.529 3.024 1.00 0.00 C ATOM 875 O LEU A 57 1.059 -9.398 2.609 1.00 0.00 O ATOM 876 CB LEU A 57 -1.966 -7.904 2.875 1.00 0.00 C ATOM 877 CG LEU A 57 -2.657 -6.903 1.949 1.00 0.00 C ATOM 878 CD1 LEU A 57 -1.631 -6.132 1.146 1.00 0.00 C ATOM 879 CD2 LEU A 57 -3.618 -7.599 1.017 1.00 0.00 C ATOM 0 H LEU A 57 -3.138 -9.999 2.380 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.911 -8.765 1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.707 -8.300 3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.226 -7.369 3.470 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.222 -6.208 2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.139 -5.423 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.970 -5.591 1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.044 -6.826 0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.095 -6.863 0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.075 -8.321 0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.379 -8.117 1.600 1.00 0.00 H new ATOM 891 N ARG A 58 -0.392 -10.075 4.194 1.00 0.00 N ATOM 892 CA ARG A 58 0.638 -10.463 5.147 1.00 0.00 C ATOM 893 C ARG A 58 1.573 -11.510 4.559 1.00 0.00 C ATOM 894 O ARG A 58 2.787 -11.370 4.647 1.00 0.00 O ATOM 895 CB ARG A 58 0.005 -10.970 6.443 1.00 0.00 C ATOM 896 CG ARG A 58 -0.636 -9.866 7.266 1.00 0.00 C ATOM 897 CD ARG A 58 -1.191 -10.400 8.574 1.00 0.00 C ATOM 898 NE ARG A 58 -1.764 -9.343 9.407 1.00 0.00 N ATOM 899 CZ ARG A 58 -2.924 -9.464 10.056 1.00 0.00 C ATOM 900 NH1 ARG A 58 -3.631 -10.588 9.947 1.00 0.00 N ATOM 901 NH2 ARG A 58 -3.376 -8.468 10.813 1.00 0.00 N ATOM 0 H ARG A 58 -1.345 -10.260 4.507 1.00 0.00 H new ATOM 0 HA ARG A 58 1.234 -9.579 5.374 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.749 -11.720 6.203 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.768 -11.466 7.043 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.101 -9.089 7.472 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.437 -9.401 6.692 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.955 -11.148 8.363 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.396 -10.903 9.125 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.250 -8.467 9.497 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.285 -11.354 9.369 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.518 -10.683 10.442 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.836 -7.607 10.899 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.263 -8.565 11.307 1.00 0.00 H new ATOM 915 N ASP A 59 1.007 -12.537 3.931 1.00 0.00 N ATOM 916 CA ASP A 59 1.810 -13.610 3.344 1.00 0.00 C ATOM 917 C ASP A 59 2.741 -13.058 2.282 1.00 0.00 C ATOM 918 O ASP A 59 3.930 -13.363 2.258 1.00 0.00 O ATOM 919 CB ASP A 59 0.927 -14.681 2.711 1.00 0.00 C ATOM 920 CG ASP A 59 1.735 -15.827 2.126 1.00 0.00 C ATOM 921 OD1 ASP A 59 2.265 -16.648 2.906 1.00 0.00 O ATOM 922 OD2 ASP A 59 1.851 -15.912 0.888 1.00 0.00 O ATOM 0 H ASP A 59 0.000 -12.650 3.815 1.00 0.00 H new ATOM 0 HA ASP A 59 2.391 -14.057 4.151 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.239 -15.071 3.461 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.320 -14.230 1.926 1.00 0.00 H new ATOM 927 N SER A 60 2.192 -12.220 1.424 1.00 0.00 N ATOM 928 CA SER A 60 2.933 -11.668 0.308 1.00 0.00 C ATOM 929 C SER A 60 4.031 -10.735 0.801 1.00 0.00 C ATOM 930 O SER A 60 5.122 -10.679 0.229 1.00 0.00 O ATOM 931 CB SER A 60 1.975 -10.939 -0.624 1.00 0.00 C ATOM 932 OG SER A 60 1.006 -11.828 -1.143 1.00 0.00 O ATOM 0 H SER A 60 1.224 -11.904 1.481 1.00 0.00 H new ATOM 0 HA SER A 60 3.412 -12.478 -0.242 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.481 -10.130 -0.085 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.533 -10.483 -1.442 1.00 0.00 H new ATOM 0 HG SER A 60 0.163 -11.713 -0.657 1.00 0.00 H new ATOM 938 N PHE A 61 3.746 -10.020 1.880 1.00 0.00 N ATOM 939 CA PHE A 61 4.736 -9.159 2.501 1.00 0.00 C ATOM 940 C PHE A 61 5.812 -9.997 3.172 1.00 0.00 C ATOM 941 O PHE A 61 6.975 -9.614 3.208 1.00 0.00 O ATOM 942 CB PHE A 61 4.081 -8.218 3.513 1.00 0.00 C ATOM 943 CG PHE A 61 3.263 -7.123 2.884 1.00 0.00 C ATOM 944 CD1 PHE A 61 3.528 -6.694 1.592 1.00 0.00 C ATOM 945 CD2 PHE A 61 2.232 -6.518 3.587 1.00 0.00 C ATOM 946 CE1 PHE A 61 2.782 -5.684 1.015 1.00 0.00 C ATOM 947 CE2 PHE A 61 1.484 -5.507 3.013 1.00 0.00 C ATOM 948 CZ PHE A 61 1.760 -5.091 1.726 1.00 0.00 C ATOM 0 H PHE A 61 2.837 -10.021 2.342 1.00 0.00 H new ATOM 0 HA PHE A 61 5.199 -8.550 1.724 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.442 -8.801 4.176 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.857 -7.769 4.132 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.327 -7.155 1.030 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.011 -6.840 4.594 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.999 -5.359 0.008 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.684 -5.043 3.571 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.176 -4.302 1.276 1.00 0.00 H new ATOM 958 N GLN A 62 5.424 -11.161 3.671 1.00 0.00 N ATOM 959 CA GLN A 62 6.372 -12.085 4.268 1.00 0.00 C ATOM 960 C GLN A 62 7.304 -12.616 3.193 1.00 0.00 C ATOM 961 O GLN A 62 8.505 -12.759 3.412 1.00 0.00 O ATOM 962 CB GLN A 62 5.643 -13.244 4.946 1.00 0.00 C ATOM 963 CG GLN A 62 4.857 -12.838 6.181 1.00 0.00 C ATOM 964 CD GLN A 62 5.751 -12.362 7.309 1.00 0.00 C ATOM 965 OE1 GLN A 62 6.896 -12.805 7.441 1.00 0.00 O ATOM 966 NE2 GLN A 62 5.240 -11.462 8.128 1.00 0.00 N ATOM 0 H GLN A 62 4.457 -11.487 3.674 1.00 0.00 H new ATOM 0 HA GLN A 62 6.951 -11.556 5.025 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.962 -13.702 4.228 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.372 -14.005 5.225 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.157 -12.045 5.918 1.00 0.00 H new ATOM 0 HG3 GLN A 62 4.264 -13.685 6.525 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.289 -11.122 7.983 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.796 -11.106 8.906 1.00 0.00 H new ATOM 975 N GLN A 63 6.736 -12.880 2.022 1.00 0.00 N ATOM 976 CA GLN A 63 7.494 -13.415 0.907 1.00 0.00 C ATOM 977 C GLN A 63 8.532 -12.415 0.413 1.00 0.00 C ATOM 978 O GLN A 63 9.668 -12.784 0.141 1.00 0.00 O ATOM 979 CB GLN A 63 6.574 -13.811 -0.236 1.00 0.00 C ATOM 980 CG GLN A 63 5.521 -14.817 0.176 1.00 0.00 C ATOM 981 CD GLN A 63 6.095 -16.067 0.819 1.00 0.00 C ATOM 982 OE1 GLN A 63 7.216 -16.484 0.525 1.00 0.00 O ATOM 983 NE2 GLN A 63 5.317 -16.673 1.704 1.00 0.00 N ATOM 0 H GLN A 63 5.747 -12.730 1.824 1.00 0.00 H new ATOM 0 HA GLN A 63 8.013 -14.304 1.265 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.084 -12.919 -0.627 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.170 -14.228 -1.047 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.831 -14.343 0.874 1.00 0.00 H new ATOM 0 HG3 GLN A 63 4.941 -15.103 -0.701 1.00 0.00 H new ATOM 0 HE21 GLN A 63 4.395 -16.293 1.917 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.640 -17.520 2.172 1.00 0.00 H new ATOM 992 N VAL A 64 8.147 -11.145 0.309 1.00 0.00 N ATOM 993 CA VAL A 64 9.077 -10.118 -0.154 1.00 0.00 C ATOM 994 C VAL A 64 10.149 -9.835 0.906 1.00 0.00 C ATOM 995 O VAL A 64 11.254 -9.403 0.580 1.00 0.00 O ATOM 996 CB VAL A 64 8.361 -8.806 -0.562 1.00 0.00 C ATOM 997 CG1 VAL A 64 7.723 -8.124 0.631 1.00 0.00 C ATOM 998 CG2 VAL A 64 9.325 -7.859 -1.264 1.00 0.00 C ATOM 0 H VAL A 64 7.212 -10.806 0.535 1.00 0.00 H new ATOM 0 HA VAL A 64 9.558 -10.513 -1.049 1.00 0.00 H new ATOM 0 HB VAL A 64 7.565 -9.072 -1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.231 -7.208 0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.988 -8.791 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.491 -7.882 1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.800 -6.945 -1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.149 -7.615 -0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.717 -8.338 -2.161 1.00 0.00 H new ATOM 1008 N VAL A 65 9.827 -10.101 2.169 1.00 0.00 N ATOM 1009 CA VAL A 65 10.818 -10.012 3.240 1.00 0.00 C ATOM 1010 C VAL A 65 11.792 -11.185 3.137 1.00 0.00 C ATOM 1011 O VAL A 65 12.957 -11.084 3.513 1.00 0.00 O ATOM 1012 CB VAL A 65 10.157 -9.988 4.642 1.00 0.00 C ATOM 1013 CG1 VAL A 65 11.201 -10.091 5.748 1.00 0.00 C ATOM 1014 CG2 VAL A 65 9.338 -8.719 4.821 1.00 0.00 C ATOM 0 H VAL A 65 8.895 -10.378 2.476 1.00 0.00 H new ATOM 0 HA VAL A 65 11.358 -9.073 3.119 1.00 0.00 H new ATOM 0 HB VAL A 65 9.498 -10.853 4.712 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.706 -10.071 6.719 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.753 -11.025 5.641 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.891 -9.251 5.676 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.881 -8.718 5.810 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.988 -7.850 4.720 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.558 -8.679 4.061 1.00 0.00 H new ATOM 1024 N LYS A 66 11.304 -12.298 2.611 1.00 0.00 N ATOM 1025 CA LYS A 66 12.152 -13.446 2.336 1.00 0.00 C ATOM 1026 C LYS A 66 12.966 -13.197 1.069 1.00 0.00 C ATOM 1027 O LYS A 66 14.076 -13.706 0.919 1.00 0.00 O ATOM 1028 CB LYS A 66 11.302 -14.708 2.178 1.00 0.00 C ATOM 1029 CG LYS A 66 10.534 -15.091 3.433 1.00 0.00 C ATOM 1030 CD LYS A 66 9.496 -16.163 3.144 1.00 0.00 C ATOM 1031 CE LYS A 66 8.697 -16.526 4.386 1.00 0.00 C ATOM 1032 NZ LYS A 66 9.542 -17.137 5.447 1.00 0.00 N ATOM 0 H LYS A 66 10.323 -12.430 2.366 1.00 0.00 H new ATOM 0 HA LYS A 66 12.834 -13.590 3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.595 -14.559 1.362 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.949 -15.537 1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.230 -15.451 4.191 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.043 -14.209 3.844 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.818 -15.812 2.366 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.991 -17.054 2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.216 -15.631 4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.903 -17.221 4.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.935 -17.489 6.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.086 -17.927 5.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.197 -16.422 5.824 1.00 0.00 H new ATOM 1046 N LEU A 67 12.400 -12.406 0.162 1.00 0.00 N ATOM 1047 CA LEU A 67 13.071 -12.049 -1.082 1.00 0.00 C ATOM 1048 C LEU A 67 14.174 -11.020 -0.839 1.00 0.00 C ATOM 1049 O LEU A 67 15.338 -11.273 -1.146 1.00 0.00 O ATOM 1050 CB LEU A 67 12.062 -11.504 -2.106 1.00 0.00 C ATOM 1051 CG LEU A 67 11.065 -12.531 -2.646 1.00 0.00 C ATOM 1052 CD1 LEU A 67 10.236 -11.921 -3.764 1.00 0.00 C ATOM 1053 CD2 LEU A 67 11.792 -13.779 -3.130 1.00 0.00 C ATOM 0 H LEU A 67 11.471 -11.998 0.268 1.00 0.00 H new ATOM 0 HA LEU A 67 13.527 -12.954 -1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.505 -10.688 -1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.613 -11.080 -2.945 1.00 0.00 H new ATOM 0 HG LEU A 67 10.393 -12.823 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.530 -12.662 -4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.688 -11.059 -3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.894 -11.603 -4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.067 -14.498 -3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.487 -13.510 -3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.343 -14.224 -2.301 1.00 0.00 H new ATOM 1065 N LYS A 68 13.788 -9.876 -0.274 1.00 0.00 N ATOM 1066 CA LYS A 68 14.708 -8.766 -0.009 1.00 0.00 C ATOM 1067 C LYS A 68 15.374 -8.271 -1.287 1.00 0.00 C ATOM 1068 O LYS A 68 16.356 -8.842 -1.760 1.00 0.00 O ATOM 1069 CB LYS A 68 15.771 -9.160 1.019 1.00 0.00 C ATOM 1070 CG LYS A 68 15.196 -9.423 2.393 1.00 0.00 C ATOM 1071 CD LYS A 68 16.270 -9.788 3.395 1.00 0.00 C ATOM 1072 CE LYS A 68 15.661 -10.078 4.755 1.00 0.00 C ATOM 1073 NZ LYS A 68 16.697 -10.352 5.783 1.00 0.00 N ATOM 0 H LYS A 68 12.827 -9.691 0.014 1.00 0.00 H new ATOM 0 HA LYS A 68 14.112 -7.951 0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.291 -10.053 0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.514 -8.365 1.088 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.663 -8.537 2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.467 -10.231 2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.820 -10.661 3.044 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.988 -8.972 3.479 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.055 -9.228 5.069 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.992 -10.935 4.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.238 -10.545 6.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.260 -11.179 5.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.320 -9.525 5.877 1.00 0.00 H new ATOM 1087 N GLY A 69 14.830 -7.198 -1.839 1.00 0.00 N ATOM 1088 CA GLY A 69 15.393 -6.625 -3.044 1.00 0.00 C ATOM 1089 C GLY A 69 14.609 -6.995 -4.286 1.00 0.00 C ATOM 1090 O GLY A 69 14.703 -6.320 -5.310 1.00 0.00 O ATOM 0 H GLY A 69 14.009 -6.714 -1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.422 -5.540 -2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.423 -6.962 -3.155 1.00 0.00 H new ATOM 1094 N GLN A 70 13.823 -8.062 -4.200 1.00 0.00 N ATOM 1095 CA GLN A 70 13.033 -8.513 -5.325 1.00 0.00 C ATOM 1096 C GLN A 70 11.694 -7.805 -5.329 1.00 0.00 C ATOM 1097 O GLN A 70 11.047 -7.683 -4.287 1.00 0.00 O ATOM 1098 CB GLN A 70 12.829 -10.028 -5.259 1.00 0.00 C ATOM 1099 CG GLN A 70 13.961 -10.845 -5.867 1.00 0.00 C ATOM 1100 CD GLN A 70 15.317 -10.535 -5.263 1.00 0.00 C ATOM 1101 OE1 GLN A 70 16.050 -9.675 -5.757 1.00 0.00 O ATOM 1102 NE2 GLN A 70 15.659 -11.231 -4.193 1.00 0.00 N ATOM 0 H GLN A 70 13.720 -8.628 -3.358 1.00 0.00 H new ATOM 0 HA GLN A 70 13.564 -8.275 -6.247 1.00 0.00 H new ATOM 0 HB2 GLN A 70 12.707 -10.320 -4.216 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.900 -10.279 -5.772 1.00 0.00 H new ATOM 0 HG2 GLN A 70 13.746 -11.905 -5.735 1.00 0.00 H new ATOM 0 HG3 GLN A 70 13.998 -10.659 -6.940 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.022 -11.933 -3.817 1.00 0.00 H new ATOM 0 HE22 GLN A 70 16.560 -11.066 -3.743 1.00 0.00 H new ATOM 1111 N VAL A 71 11.292 -7.325 -6.492 1.00 0.00 N ATOM 1112 CA VAL A 71 10.008 -6.667 -6.633 1.00 0.00 C ATOM 1113 C VAL A 71 8.908 -7.715 -6.665 1.00 0.00 C ATOM 1114 O VAL A 71 8.857 -8.556 -7.568 1.00 0.00 O ATOM 1115 CB VAL A 71 9.945 -5.802 -7.913 1.00 0.00 C ATOM 1116 CG1 VAL A 71 8.614 -5.068 -8.008 1.00 0.00 C ATOM 1117 CG2 VAL A 71 11.107 -4.818 -7.951 1.00 0.00 C ATOM 0 H VAL A 71 11.837 -7.379 -7.352 1.00 0.00 H new ATOM 0 HA VAL A 71 9.870 -6.004 -5.779 1.00 0.00 H new ATOM 0 HB VAL A 71 10.027 -6.464 -8.775 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.594 -4.466 -8.917 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.800 -5.792 -8.035 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.494 -4.419 -7.141 1.00 0.00 H new ATOM 0 HG21 VAL A 71 11.046 -4.218 -8.859 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.059 -4.164 -7.080 1.00 0.00 H new ATOM 0 HG23 VAL A 71 12.049 -5.367 -7.941 1.00 0.00 H new ATOM 1127 N LEU A 72 8.048 -7.677 -5.665 1.00 0.00 N ATOM 1128 CA LEU A 72 7.004 -8.676 -5.521 1.00 0.00 C ATOM 1129 C LEU A 72 5.638 -8.021 -5.647 1.00 0.00 C ATOM 1130 O LEU A 72 5.368 -7.019 -4.996 1.00 0.00 O ATOM 1131 CB LEU A 72 7.148 -9.394 -4.176 1.00 0.00 C ATOM 1132 CG LEU A 72 6.168 -10.541 -3.933 1.00 0.00 C ATOM 1133 CD1 LEU A 72 6.865 -11.656 -3.187 1.00 0.00 C ATOM 1134 CD2 LEU A 72 4.957 -10.063 -3.148 1.00 0.00 C ATOM 0 H LEU A 72 8.051 -6.962 -4.937 1.00 0.00 H new ATOM 0 HA LEU A 72 7.102 -9.417 -6.315 1.00 0.00 H new ATOM 0 HB2 LEU A 72 8.163 -9.784 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.027 -8.661 -3.378 1.00 0.00 H new ATOM 0 HG LEU A 72 5.821 -10.912 -4.897 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.164 -12.473 -3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.706 -12.018 -3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.228 -11.282 -2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.275 -10.898 -2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.280 -9.669 -2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.447 -9.279 -3.708 1.00 0.00 H new ATOM 1146 N SER A 73 4.781 -8.588 -6.472 1.00 0.00 N ATOM 1147 CA SER A 73 3.494 -7.975 -6.754 1.00 0.00 C ATOM 1148 C SER A 73 2.365 -8.707 -6.042 1.00 0.00 C ATOM 1149 O SER A 73 2.179 -9.911 -6.224 1.00 0.00 O ATOM 1150 CB SER A 73 3.243 -7.965 -8.261 1.00 0.00 C ATOM 1151 OG SER A 73 4.318 -7.348 -8.951 1.00 0.00 O ATOM 0 H SER A 73 4.949 -9.469 -6.958 1.00 0.00 H new ATOM 0 HA SER A 73 3.517 -6.950 -6.383 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.115 -8.987 -8.619 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.316 -7.434 -8.475 1.00 0.00 H new ATOM 0 HG SER A 73 4.136 -7.355 -9.914 1.00 0.00 H new ATOM 1157 N VAL A 74 1.622 -7.978 -5.228 1.00 0.00 N ATOM 1158 CA VAL A 74 0.442 -8.515 -4.572 1.00 0.00 C ATOM 1159 C VAL A 74 -0.765 -7.698 -4.946 1.00 0.00 C ATOM 1160 O VAL A 74 -0.729 -6.468 -4.969 1.00 0.00 O ATOM 1161 CB VAL A 74 0.602 -8.578 -3.030 1.00 0.00 C ATOM 1162 CG1 VAL A 74 0.954 -7.213 -2.452 1.00 0.00 C ATOM 1163 CG2 VAL A 74 -0.660 -9.128 -2.377 1.00 0.00 C ATOM 0 H VAL A 74 1.818 -7.002 -5.004 1.00 0.00 H new ATOM 0 HA VAL A 74 0.309 -9.540 -4.917 1.00 0.00 H new ATOM 0 HB VAL A 74 1.427 -9.256 -2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.059 -7.292 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.893 -6.866 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.162 -6.502 -2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.525 -9.163 -1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.505 -8.482 -2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.855 -10.133 -2.751 1.00 0.00 H new ATOM 1173 N MET A 75 -1.828 -8.391 -5.264 1.00 0.00 N ATOM 1174 CA MET A 75 -3.005 -7.750 -5.778 1.00 0.00 C ATOM 1175 C MET A 75 -4.193 -8.008 -4.861 1.00 0.00 C ATOM 1176 O MET A 75 -4.540 -9.156 -4.592 1.00 0.00 O ATOM 1177 CB MET A 75 -3.277 -8.249 -7.191 1.00 0.00 C ATOM 1178 CG MET A 75 -4.374 -7.480 -7.865 1.00 0.00 C ATOM 1179 SD MET A 75 -4.716 -8.044 -9.542 1.00 0.00 S ATOM 1180 CE MET A 75 -6.068 -6.954 -9.986 1.00 0.00 C ATOM 0 H MET A 75 -1.900 -9.405 -5.174 1.00 0.00 H new ATOM 0 HA MET A 75 -2.846 -6.672 -5.815 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.365 -8.171 -7.783 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.545 -9.305 -7.156 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.283 -7.561 -7.270 1.00 0.00 H new ATOM 0 HG3 MET A 75 -4.104 -6.424 -7.892 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.396 -7.176 -11.001 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.898 -7.104 -9.295 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.733 -5.918 -9.932 1.00 0.00 H new ATOM 1190 N PHE A 76 -4.816 -6.932 -4.410 1.00 0.00 N ATOM 1191 CA PHE A 76 -5.842 -7.008 -3.376 1.00 0.00 C ATOM 1192 C PHE A 76 -6.839 -5.863 -3.542 1.00 0.00 C ATOM 1193 O PHE A 76 -6.699 -5.041 -4.452 1.00 0.00 O ATOM 1194 CB PHE A 76 -5.199 -6.941 -1.990 1.00 0.00 C ATOM 1195 CG PHE A 76 -4.649 -5.590 -1.628 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -3.530 -5.084 -2.266 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -5.255 -4.832 -0.639 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -3.027 -3.846 -1.924 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -4.756 -3.596 -0.292 1.00 0.00 C ATOM 1200 CZ PHE A 76 -3.639 -3.101 -0.935 1.00 0.00 C ATOM 0 H PHE A 76 -4.629 -5.987 -4.745 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.370 -7.956 -3.475 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -5.940 -7.231 -1.244 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.393 -7.674 -1.940 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.046 -5.664 -3.038 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.129 -5.215 -0.134 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.155 -3.459 -2.430 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.237 -3.015 0.481 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.244 -2.133 -0.665 1.00 0.00 H new ATOM 1210 N ARG A 77 -7.838 -5.806 -2.663 1.00 0.00 N ATOM 1211 CA ARG A 77 -8.843 -4.751 -2.720 1.00 0.00 C ATOM 1212 C ARG A 77 -8.627 -3.743 -1.590 1.00 0.00 C ATOM 1213 O ARG A 77 -8.680 -4.097 -0.409 1.00 0.00 O ATOM 1214 CB ARG A 77 -10.248 -5.353 -2.640 1.00 0.00 C ATOM 1215 CG ARG A 77 -10.547 -6.330 -3.764 1.00 0.00 C ATOM 1216 CD ARG A 77 -11.922 -6.957 -3.615 1.00 0.00 C ATOM 1217 NE ARG A 77 -12.996 -5.978 -3.747 1.00 0.00 N ATOM 1218 CZ ARG A 77 -14.293 -6.284 -3.739 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -14.684 -7.551 -3.632 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -15.204 -5.329 -3.853 1.00 0.00 N ATOM 0 H ARG A 77 -7.971 -6.476 -1.906 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.743 -4.227 -3.670 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.363 -5.863 -1.684 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.983 -4.548 -2.662 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.485 -5.813 -4.721 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.789 -7.114 -3.776 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.048 -7.734 -4.369 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -11.994 -7.442 -2.642 1.00 0.00 H new ATOM 0 HE ARG A 77 -12.738 -4.997 -3.852 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.990 -8.294 -3.556 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.678 -7.779 -3.626 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -14.914 -4.356 -3.947 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -16.196 -5.567 -3.847 1.00 0.00 H new ATOM 1234 N PHE A 78 -8.387 -2.490 -1.967 1.00 0.00 N ATOM 1235 CA PHE A 78 -8.076 -1.424 -1.015 1.00 0.00 C ATOM 1236 C PHE A 78 -9.334 -0.636 -0.686 1.00 0.00 C ATOM 1237 O PHE A 78 -10.178 -0.428 -1.558 1.00 0.00 O ATOM 1238 CB PHE A 78 -7.045 -0.480 -1.637 1.00 0.00 C ATOM 1239 CG PHE A 78 -6.278 0.377 -0.661 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -6.737 1.634 -0.295 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -5.071 -0.063 -0.143 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -6.004 2.431 0.565 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -4.340 0.726 0.722 1.00 0.00 C ATOM 1244 CZ PHE A 78 -4.805 1.977 1.076 1.00 0.00 C ATOM 0 H PHE A 78 -8.402 -2.184 -2.940 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.678 -1.866 -0.101 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.333 -1.074 -2.210 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.556 0.173 -2.344 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -7.677 1.994 -0.686 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.697 -1.037 -0.420 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.370 3.410 0.837 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.404 0.365 1.122 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.233 2.598 1.750 1.00 0.00 H new ATOM 1254 N ARG A 79 -9.463 -0.192 0.555 1.00 0.00 N ATOM 1255 CA ARG A 79 -10.627 0.583 0.947 1.00 0.00 C ATOM 1256 C ARG A 79 -10.443 2.045 0.575 1.00 0.00 C ATOM 1257 O ARG A 79 -9.675 2.767 1.203 1.00 0.00 O ATOM 1258 CB ARG A 79 -10.902 0.470 2.442 1.00 0.00 C ATOM 1259 CG ARG A 79 -12.359 0.738 2.789 1.00 0.00 C ATOM 1260 CD ARG A 79 -12.532 1.180 4.231 1.00 0.00 C ATOM 1261 NE ARG A 79 -11.853 0.298 5.183 1.00 0.00 N ATOM 1262 CZ ARG A 79 -12.243 0.135 6.449 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -13.324 0.759 6.899 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -11.560 -0.653 7.268 1.00 0.00 N ATOM 0 H ARG A 79 -8.784 -0.353 1.299 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.483 0.175 0.410 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.628 -0.528 2.784 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.268 1.176 2.979 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.754 1.507 2.125 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.944 -0.165 2.615 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.147 2.193 4.344 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.595 1.215 4.470 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.036 -0.221 4.860 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.859 1.365 6.277 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.620 0.633 7.867 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.729 -1.140 6.932 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.865 -0.772 8.234 1.00 0.00 H new ATOM 1278 N SER A 80 -11.125 2.449 -0.474 1.00 0.00 N ATOM 1279 CA SER A 80 -11.161 3.837 -0.910 1.00 0.00 C ATOM 1280 C SER A 80 -11.851 4.724 0.135 1.00 0.00 C ATOM 1281 O SER A 80 -12.429 4.227 1.104 1.00 0.00 O ATOM 1282 CB SER A 80 -11.924 3.900 -2.223 1.00 0.00 C ATOM 1283 OG SER A 80 -11.780 2.688 -2.938 1.00 0.00 O ATOM 0 H SER A 80 -11.677 1.821 -1.058 1.00 0.00 H new ATOM 0 HA SER A 80 -10.143 4.204 -1.038 1.00 0.00 H new ATOM 0 HB2 SER A 80 -12.979 4.091 -2.028 1.00 0.00 H new ATOM 0 HB3 SER A 80 -11.555 4.730 -2.825 1.00 0.00 H new ATOM 0 HG SER A 80 -12.503 2.608 -3.595 1.00 0.00 H new ATOM 1289 N LYS A 81 -11.821 6.042 -0.088 1.00 0.00 N ATOM 1290 CA LYS A 81 -12.423 7.010 0.834 1.00 0.00 C ATOM 1291 C LYS A 81 -13.943 6.973 0.745 1.00 0.00 C ATOM 1292 O LYS A 81 -14.647 7.668 1.475 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.933 8.420 0.510 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.094 9.405 1.662 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.293 8.967 2.879 1.00 0.00 C ATOM 1296 CE LYS A 81 -11.474 9.919 4.051 1.00 0.00 C ATOM 1297 NZ LYS A 81 -11.032 11.297 3.723 1.00 0.00 N ATOM 0 H LYS A 81 -11.382 6.465 -0.906 1.00 0.00 H new ATOM 0 HA LYS A 81 -12.123 6.741 1.847 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.881 8.374 0.228 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.479 8.795 -0.356 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.766 10.395 1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.148 9.488 1.928 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.602 7.964 3.175 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.236 8.911 2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.523 9.936 4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.908 9.551 4.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.673 11.760 4.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.277 11.259 3.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.836 11.840 3.348 1.00 0.00 H new ATOM 1311 N ASN A 82 -14.436 6.160 -0.161 1.00 0.00 N ATOM 1312 CA ASN A 82 -15.860 5.958 -0.326 1.00 0.00 C ATOM 1313 C ASN A 82 -16.244 4.621 0.288 1.00 0.00 C ATOM 1314 O ASN A 82 -17.368 4.148 0.146 1.00 0.00 O ATOM 1315 CB ASN A 82 -16.218 6.018 -1.812 1.00 0.00 C ATOM 1316 CG ASN A 82 -15.319 5.135 -2.657 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -15.033 3.997 -2.302 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -14.799 5.686 -3.742 1.00 0.00 N ATOM 0 H ASN A 82 -13.861 5.618 -0.806 1.00 0.00 H new ATOM 0 HA ASN A 82 -16.418 6.744 0.183 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -17.255 5.711 -1.946 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -16.143 7.048 -2.160 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.137 5.161 -4.313 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -15.060 6.636 -4.007 1.00 0.00 H new ATOM 1325 N GLN A 83 -15.258 4.025 0.967 1.00 0.00 N ATOM 1326 CA GLN A 83 -15.419 2.777 1.706 1.00 0.00 C ATOM 1327 C GLN A 83 -15.650 1.583 0.780 1.00 0.00 C ATOM 1328 O GLN A 83 -16.073 0.519 1.232 1.00 0.00 O ATOM 1329 CB GLN A 83 -16.540 2.880 2.748 1.00 0.00 C ATOM 1330 CG GLN A 83 -16.185 3.727 3.971 1.00 0.00 C ATOM 1331 CD GLN A 83 -15.957 5.194 3.647 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -16.904 5.977 3.572 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -14.700 5.590 3.507 1.00 0.00 N ATOM 0 H GLN A 83 -14.313 4.405 1.017 1.00 0.00 H new ATOM 0 HA GLN A 83 -14.480 2.605 2.233 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -17.425 3.303 2.272 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -16.805 1.876 3.080 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -16.987 3.646 4.705 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -15.286 3.322 4.435 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -13.941 4.912 3.576 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -14.492 6.573 3.331 1.00 0.00 H new ATOM 1342 N GLU A 84 -15.374 1.755 -0.508 1.00 0.00 N ATOM 1343 CA GLU A 84 -15.378 0.639 -1.434 1.00 0.00 C ATOM 1344 C GLU A 84 -14.014 -0.007 -1.464 1.00 0.00 C ATOM 1345 O GLU A 84 -13.043 0.571 -0.992 1.00 0.00 O ATOM 1346 CB GLU A 84 -15.769 1.080 -2.837 1.00 0.00 C ATOM 1347 CG GLU A 84 -17.249 1.348 -2.987 1.00 0.00 C ATOM 1348 CD GLU A 84 -18.098 0.192 -2.499 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -18.018 -0.906 -3.093 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -18.845 0.370 -1.515 1.00 0.00 O ATOM 0 H GLU A 84 -15.146 2.655 -0.929 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.119 -0.082 -1.088 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.215 1.983 -3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.472 0.310 -3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.511 2.248 -2.430 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.475 1.544 -4.035 1.00 0.00 H new ATOM 1357 N TRP A 85 -13.933 -1.185 -2.039 1.00 0.00 N ATOM 1358 CA TRP A 85 -12.705 -1.952 -2.008 1.00 0.00 C ATOM 1359 C TRP A 85 -12.272 -2.297 -3.426 1.00 0.00 C ATOM 1360 O TRP A 85 -12.609 -3.358 -3.944 1.00 0.00 O ATOM 1361 CB TRP A 85 -12.896 -3.228 -1.180 1.00 0.00 C ATOM 1362 CG TRP A 85 -13.457 -2.984 0.188 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -14.759 -2.730 0.525 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -12.725 -2.987 1.406 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -14.864 -2.561 1.883 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -13.631 -2.719 2.445 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -11.388 -3.185 1.715 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -13.236 -2.650 3.777 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -10.998 -3.120 3.029 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -11.915 -2.853 4.050 1.00 0.00 C ATOM 0 H TRP A 85 -14.703 -1.635 -2.535 1.00 0.00 H new ATOM 0 HA TRP A 85 -11.925 -1.352 -1.540 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -13.560 -3.904 -1.719 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -11.936 -3.734 -1.083 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -15.581 -2.671 -0.173 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -15.724 -2.351 2.390 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -10.667 -3.387 0.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -13.947 -2.444 4.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -9.960 -3.279 3.280 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -11.571 -2.807 5.073 1.00 0.00 H new ATOM 1381 N LEU A 86 -11.519 -1.399 -4.042 1.00 0.00 N ATOM 1382 CA LEU A 86 -11.148 -1.547 -5.445 1.00 0.00 C ATOM 1383 C LEU A 86 -9.852 -2.320 -5.610 1.00 0.00 C ATOM 1384 O LEU A 86 -9.051 -2.433 -4.682 1.00 0.00 O ATOM 1385 CB LEU A 86 -11.048 -0.179 -6.125 1.00 0.00 C ATOM 1386 CG LEU A 86 -10.471 0.952 -5.268 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -8.950 0.883 -5.213 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.933 2.300 -5.800 1.00 0.00 C ATOM 0 H LEU A 86 -11.152 -0.559 -3.594 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.936 -2.123 -5.930 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.432 -0.283 -7.018 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.044 0.114 -6.457 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.842 0.832 -4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.571 1.699 -4.597 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.644 -0.070 -4.781 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.545 0.971 -6.221 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.517 3.097 -5.183 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.592 2.422 -6.828 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.021 2.349 -5.770 1.00 0.00 H new ATOM 1400 N TRP A 87 -9.653 -2.835 -6.811 1.00 0.00 N ATOM 1401 CA TRP A 87 -8.515 -3.693 -7.099 1.00 0.00 C ATOM 1402 C TRP A 87 -7.270 -2.878 -7.405 1.00 0.00 C ATOM 1403 O TRP A 87 -7.255 -2.065 -8.335 1.00 0.00 O ATOM 1404 CB TRP A 87 -8.818 -4.618 -8.276 1.00 0.00 C ATOM 1405 CG TRP A 87 -9.845 -5.660 -7.976 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -11.172 -5.619 -8.288 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -9.624 -6.906 -7.306 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -11.791 -6.766 -7.850 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -10.861 -7.571 -7.244 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -8.497 -7.523 -6.749 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -11.004 -8.824 -6.652 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -8.640 -8.765 -6.162 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -9.884 -9.404 -6.118 1.00 0.00 C ATOM 0 H TRP A 87 -10.269 -2.673 -7.608 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.329 -4.293 -6.208 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -9.159 -4.017 -9.119 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -7.896 -5.109 -8.587 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -11.664 -4.807 -8.803 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -12.782 -6.983 -7.958 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -7.533 -7.036 -6.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -11.963 -9.320 -6.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -7.778 -9.251 -5.730 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -9.963 -10.376 -5.653 1.00 0.00 H new ATOM 1424 N MET A 88 -6.226 -3.092 -6.622 1.00 0.00 N ATOM 1425 CA MET A 88 -4.946 -2.468 -6.895 1.00 0.00 C ATOM 1426 C MET A 88 -3.821 -3.492 -6.822 1.00 0.00 C ATOM 1427 O MET A 88 -3.851 -4.418 -6.009 1.00 0.00 O ATOM 1428 CB MET A 88 -4.661 -1.304 -5.939 1.00 0.00 C ATOM 1429 CG MET A 88 -4.558 -1.700 -4.476 1.00 0.00 C ATOM 1430 SD MET A 88 -3.752 -0.429 -3.483 1.00 0.00 S ATOM 1431 CE MET A 88 -4.733 1.010 -3.904 1.00 0.00 C ATOM 0 H MET A 88 -6.241 -3.691 -5.796 1.00 0.00 H new ATOM 0 HA MET A 88 -4.995 -2.064 -7.906 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.729 -0.824 -6.239 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.451 -0.561 -6.046 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.556 -1.889 -4.081 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.000 -2.633 -4.392 1.00 0.00 H new ATOM 0 HE1 MET A 88 -4.566 1.793 -3.165 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.442 1.373 -4.890 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.789 0.740 -3.914 1.00 0.00 H new ATOM 1441 N ARG A 89 -2.847 -3.321 -7.697 1.00 0.00 N ATOM 1442 CA ARG A 89 -1.667 -4.163 -7.721 1.00 0.00 C ATOM 1443 C ARG A 89 -0.534 -3.440 -7.013 1.00 0.00 C ATOM 1444 O ARG A 89 -0.042 -2.427 -7.500 1.00 0.00 O ATOM 1445 CB ARG A 89 -1.269 -4.462 -9.165 1.00 0.00 C ATOM 1446 CG ARG A 89 -0.822 -5.892 -9.398 1.00 0.00 C ATOM 1447 CD ARG A 89 -0.257 -6.070 -10.801 1.00 0.00 C ATOM 1448 NE ARG A 89 -1.009 -5.307 -11.800 1.00 0.00 N ATOM 1449 CZ ARG A 89 -1.880 -5.839 -12.651 1.00 0.00 C ATOM 1450 NH1 ARG A 89 -2.113 -7.142 -12.648 1.00 0.00 N ATOM 1451 NH2 ARG A 89 -2.510 -5.057 -13.516 1.00 0.00 N ATOM 0 H ARG A 89 -2.853 -2.593 -8.412 1.00 0.00 H new ATOM 0 HA ARG A 89 -1.878 -5.105 -7.215 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.116 -4.246 -9.817 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.463 -3.788 -9.456 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.066 -6.164 -8.661 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.665 -6.568 -9.254 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.786 -5.754 -10.814 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.273 -7.127 -11.066 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.854 -4.300 -11.845 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.622 -7.746 -11.989 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.783 -7.542 -13.305 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.325 -4.054 -13.525 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.180 -5.458 -14.172 1.00 0.00 H new ATOM 1465 N THR A 90 -0.156 -3.931 -5.851 1.00 0.00 N ATOM 1466 CA THR A 90 0.881 -3.298 -5.064 1.00 0.00 C ATOM 1467 C THR A 90 2.208 -4.040 -5.205 1.00 0.00 C ATOM 1468 O THR A 90 2.280 -5.252 -4.992 1.00 0.00 O ATOM 1469 CB THR A 90 0.466 -3.242 -3.584 1.00 0.00 C ATOM 1470 OG1 THR A 90 -0.803 -2.589 -3.477 1.00 0.00 O ATOM 1471 CG2 THR A 90 1.491 -2.500 -2.745 1.00 0.00 C ATOM 0 H THR A 90 -0.554 -4.770 -5.429 1.00 0.00 H new ATOM 0 HA THR A 90 1.015 -2.283 -5.437 1.00 0.00 H new ATOM 0 HB THR A 90 0.401 -4.263 -3.208 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.834 -1.831 -4.097 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.165 -2.480 -1.705 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.453 -3.007 -2.814 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.592 -1.479 -3.113 1.00 0.00 H new ATOM 1479 N SER A 91 3.244 -3.312 -5.586 1.00 0.00 N ATOM 1480 CA SER A 91 4.576 -3.874 -5.681 1.00 0.00 C ATOM 1481 C SER A 91 5.338 -3.605 -4.388 1.00 0.00 C ATOM 1482 O SER A 91 5.349 -2.479 -3.889 1.00 0.00 O ATOM 1483 CB SER A 91 5.314 -3.284 -6.886 1.00 0.00 C ATOM 1484 OG SER A 91 5.213 -1.868 -6.910 1.00 0.00 O ATOM 0 H SER A 91 3.185 -2.325 -5.835 1.00 0.00 H new ATOM 0 HA SER A 91 4.505 -4.952 -5.825 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.364 -3.575 -6.851 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.900 -3.696 -7.806 1.00 0.00 H new ATOM 0 HG SER A 91 5.695 -1.519 -7.689 1.00 0.00 H new ATOM 1490 N SER A 92 5.949 -4.638 -3.835 1.00 0.00 N ATOM 1491 CA SER A 92 6.646 -4.514 -2.572 1.00 0.00 C ATOM 1492 C SER A 92 8.145 -4.496 -2.781 1.00 0.00 C ATOM 1493 O SER A 92 8.663 -5.007 -3.777 1.00 0.00 O ATOM 1494 CB SER A 92 6.276 -5.658 -1.621 1.00 0.00 C ATOM 1495 OG SER A 92 6.694 -5.375 -0.300 1.00 0.00 O ATOM 0 H SER A 92 5.975 -5.572 -4.243 1.00 0.00 H new ATOM 0 HA SER A 92 6.338 -3.570 -2.123 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.198 -5.816 -1.639 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.739 -6.584 -1.962 1.00 0.00 H new ATOM 0 HG SER A 92 5.972 -5.594 0.326 1.00 0.00 H new ATOM 1501 N PHE A 93 8.819 -3.908 -1.818 1.00 0.00 N ATOM 1502 CA PHE A 93 10.262 -3.835 -1.796 1.00 0.00 C ATOM 1503 C PHE A 93 10.711 -3.566 -0.373 1.00 0.00 C ATOM 1504 O PHE A 93 10.144 -2.721 0.311 1.00 0.00 O ATOM 1505 CB PHE A 93 10.754 -2.725 -2.735 1.00 0.00 C ATOM 1506 CG PHE A 93 12.210 -2.368 -2.568 1.00 0.00 C ATOM 1507 CD1 PHE A 93 13.194 -3.071 -3.245 1.00 0.00 C ATOM 1508 CD2 PHE A 93 12.590 -1.327 -1.732 1.00 0.00 C ATOM 1509 CE1 PHE A 93 14.529 -2.744 -3.090 1.00 0.00 C ATOM 1510 CE2 PHE A 93 13.924 -0.995 -1.572 1.00 0.00 C ATOM 1511 CZ PHE A 93 14.895 -1.706 -2.253 1.00 0.00 C ATOM 0 H PHE A 93 8.373 -3.461 -1.017 1.00 0.00 H new ATOM 0 HA PHE A 93 10.686 -4.778 -2.142 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.585 -3.036 -3.766 1.00 0.00 H new ATOM 0 HB3 PHE A 93 10.152 -1.832 -2.569 1.00 0.00 H new ATOM 0 HD1 PHE A 93 12.915 -3.883 -3.901 1.00 0.00 H new ATOM 0 HD2 PHE A 93 11.834 -0.769 -1.199 1.00 0.00 H new ATOM 0 HE1 PHE A 93 15.286 -3.300 -3.623 1.00 0.00 H new ATOM 0 HE2 PHE A 93 14.206 -0.183 -0.918 1.00 0.00 H new ATOM 0 HZ PHE A 93 15.937 -1.451 -2.131 1.00 0.00 H new ATOM 1521 N THR A 94 11.711 -4.288 0.080 1.00 0.00 N ATOM 1522 CA THR A 94 12.247 -4.063 1.403 1.00 0.00 C ATOM 1523 C THR A 94 13.470 -3.164 1.308 1.00 0.00 C ATOM 1524 O THR A 94 14.504 -3.573 0.773 1.00 0.00 O ATOM 1525 CB THR A 94 12.622 -5.389 2.078 1.00 0.00 C ATOM 1526 OG1 THR A 94 13.590 -6.085 1.281 1.00 0.00 O ATOM 1527 CG2 THR A 94 11.392 -6.263 2.271 1.00 0.00 C ATOM 0 H THR A 94 12.168 -5.033 -0.446 1.00 0.00 H new ATOM 0 HA THR A 94 11.482 -3.579 2.010 1.00 0.00 H new ATOM 0 HB THR A 94 13.048 -5.168 3.057 1.00 0.00 H new ATOM 0 HG1 THR A 94 14.234 -5.444 0.915 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.682 -7.198 2.751 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.670 -5.741 2.899 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.942 -6.477 1.302 1.00 0.00 H new ATOM 1535 N PHE A 95 13.351 -1.937 1.793 1.00 0.00 N ATOM 1536 CA PHE A 95 14.435 -0.977 1.656 1.00 0.00 C ATOM 1537 C PHE A 95 15.580 -1.337 2.584 1.00 0.00 C ATOM 1538 O PHE A 95 15.514 -1.114 3.794 1.00 0.00 O ATOM 1539 CB PHE A 95 13.956 0.450 1.923 1.00 0.00 C ATOM 1540 CG PHE A 95 14.922 1.497 1.442 1.00 0.00 C ATOM 1541 CD1 PHE A 95 15.067 1.752 0.088 1.00 0.00 C ATOM 1542 CD2 PHE A 95 15.687 2.220 2.337 1.00 0.00 C ATOM 1543 CE1 PHE A 95 15.953 2.709 -0.363 1.00 0.00 C ATOM 1544 CE2 PHE A 95 16.575 3.181 1.891 1.00 0.00 C ATOM 1545 CZ PHE A 95 16.709 3.424 0.539 1.00 0.00 C ATOM 0 H PHE A 95 12.526 -1.586 2.279 1.00 0.00 H new ATOM 0 HA PHE A 95 14.790 -1.019 0.626 1.00 0.00 H new ATOM 0 HB2 PHE A 95 12.993 0.601 1.435 1.00 0.00 H new ATOM 0 HB3 PHE A 95 13.794 0.578 2.993 1.00 0.00 H new ATOM 0 HD1 PHE A 95 14.478 1.194 -0.625 1.00 0.00 H new ATOM 0 HD2 PHE A 95 15.590 2.032 3.396 1.00 0.00 H new ATOM 0 HE1 PHE A 95 16.053 2.897 -1.422 1.00 0.00 H new ATOM 0 HE2 PHE A 95 17.164 3.742 2.601 1.00 0.00 H new ATOM 0 HZ PHE A 95 17.405 4.173 0.190 1.00 0.00 H new ATOM 1555 N GLN A 96 16.614 -1.915 2.000 1.00 0.00 N ATOM 1556 CA GLN A 96 17.783 -2.333 2.744 1.00 0.00 C ATOM 1557 C GLN A 96 18.753 -1.183 2.923 1.00 0.00 C ATOM 1558 O GLN A 96 19.042 -0.450 1.977 1.00 0.00 O ATOM 1559 CB GLN A 96 18.505 -3.468 2.019 1.00 0.00 C ATOM 1560 CG GLN A 96 17.758 -4.788 2.017 1.00 0.00 C ATOM 1561 CD GLN A 96 18.507 -5.867 1.265 1.00 0.00 C ATOM 1562 OE1 GLN A 96 19.214 -5.587 0.296 1.00 0.00 O ATOM 1563 NE2 GLN A 96 18.378 -7.105 1.714 1.00 0.00 N ATOM 0 H GLN A 96 16.665 -2.106 0.999 1.00 0.00 H new ATOM 0 HA GLN A 96 17.441 -2.675 3.721 1.00 0.00 H new ATOM 0 HB2 GLN A 96 18.686 -3.166 0.988 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.480 -3.617 2.484 1.00 0.00 H new ATOM 0 HG2 GLN A 96 17.593 -5.112 3.045 1.00 0.00 H new ATOM 0 HG3 GLN A 96 16.776 -4.647 1.565 1.00 0.00 H new ATOM 0 HE21 GLN A 96 17.783 -7.296 2.520 1.00 0.00 H new ATOM 0 HE22 GLN A 96 18.874 -7.869 1.254 1.00 0.00 H new ATOM 1572 N ASN A 97 19.232 -1.021 4.144 1.00 0.00 N ATOM 1573 CA ASN A 97 20.395 -0.196 4.396 1.00 0.00 C ATOM 1574 C ASN A 97 21.553 -0.801 3.624 1.00 0.00 C ATOM 1575 O ASN A 97 21.987 -1.907 3.936 1.00 0.00 O ATOM 1576 CB ASN A 97 20.711 -0.162 5.901 1.00 0.00 C ATOM 1577 CG ASN A 97 21.914 0.705 6.255 1.00 0.00 C ATOM 1578 OD1 ASN A 97 22.850 0.857 5.470 1.00 0.00 O ATOM 1579 ND2 ASN A 97 21.907 1.264 7.455 1.00 0.00 N ATOM 0 H ASN A 97 18.831 -1.452 4.977 1.00 0.00 H new ATOM 0 HA ASN A 97 20.216 0.830 4.075 1.00 0.00 H new ATOM 0 HB2 ASN A 97 19.838 0.207 6.438 1.00 0.00 H new ATOM 0 HB3 ASN A 97 20.893 -1.179 6.248 1.00 0.00 H new ATOM 0 HD21 ASN A 97 22.693 1.841 7.753 1.00 0.00 H new ATOM 0 HD22 ASN A 97 21.115 1.118 8.081 1.00 0.00 H new ATOM 1586 N PRO A 98 22.066 -0.098 2.607 1.00 0.00 N ATOM 1587 CA PRO A 98 23.072 -0.648 1.689 1.00 0.00 C ATOM 1588 C PRO A 98 24.396 -1.003 2.370 1.00 0.00 C ATOM 1589 O PRO A 98 25.326 -1.472 1.717 1.00 0.00 O ATOM 1590 CB PRO A 98 23.282 0.475 0.668 1.00 0.00 C ATOM 1591 CG PRO A 98 22.809 1.715 1.344 1.00 0.00 C ATOM 1592 CD PRO A 98 21.706 1.290 2.268 1.00 0.00 C ATOM 0 HA PRO A 98 22.731 -1.588 1.256 1.00 0.00 H new ATOM 0 HB2 PRO A 98 24.331 0.558 0.384 1.00 0.00 H new ATOM 0 HB3 PRO A 98 22.719 0.286 -0.246 1.00 0.00 H new ATOM 0 HG2 PRO A 98 23.619 2.191 1.897 1.00 0.00 H new ATOM 0 HG3 PRO A 98 22.449 2.443 0.616 1.00 0.00 H new ATOM 0 HD2 PRO A 98 21.658 1.922 3.155 1.00 0.00 H new ATOM 0 HD3 PRO A 98 20.731 1.346 1.784 1.00 0.00 H new ATOM 1600 N TYR A 99 24.483 -0.772 3.673 1.00 0.00 N ATOM 1601 CA TYR A 99 25.701 -1.059 4.415 1.00 0.00 C ATOM 1602 C TYR A 99 25.490 -2.186 5.425 1.00 0.00 C ATOM 1603 O TYR A 99 26.436 -2.887 5.778 1.00 0.00 O ATOM 1604 CB TYR A 99 26.194 0.204 5.131 1.00 0.00 C ATOM 1605 CG TYR A 99 26.448 1.362 4.193 1.00 0.00 C ATOM 1606 CD1 TYR A 99 25.398 2.143 3.731 1.00 0.00 C ATOM 1607 CD2 TYR A 99 27.732 1.665 3.759 1.00 0.00 C ATOM 1608 CE1 TYR A 99 25.616 3.191 2.867 1.00 0.00 C ATOM 1609 CE2 TYR A 99 27.958 2.713 2.889 1.00 0.00 C ATOM 1610 CZ TYR A 99 26.894 3.473 2.447 1.00 0.00 C ATOM 1611 OH TYR A 99 27.106 4.513 1.574 1.00 0.00 O ATOM 0 H TYR A 99 23.725 -0.387 4.237 1.00 0.00 H new ATOM 0 HA TYR A 99 26.457 -1.387 3.701 1.00 0.00 H new ATOM 0 HB2 TYR A 99 25.456 0.503 5.875 1.00 0.00 H new ATOM 0 HB3 TYR A 99 27.113 -0.027 5.669 1.00 0.00 H new ATOM 0 HD1 TYR A 99 24.391 1.924 4.056 1.00 0.00 H new ATOM 0 HD2 TYR A 99 28.565 1.073 4.107 1.00 0.00 H new ATOM 0 HE1 TYR A 99 24.787 3.790 2.520 1.00 0.00 H new ATOM 0 HE2 TYR A 99 28.961 2.937 2.556 1.00 0.00 H new ATOM 0 HH TYR A 99 28.063 4.583 1.375 1.00 0.00 H new ATOM 1621 N SER A 100 24.259 -2.371 5.889 1.00 0.00 N ATOM 1622 CA SER A 100 24.003 -3.338 6.952 1.00 0.00 C ATOM 1623 C SER A 100 22.839 -4.277 6.614 1.00 0.00 C ATOM 1624 O SER A 100 22.477 -5.139 7.415 1.00 0.00 O ATOM 1625 CB SER A 100 23.716 -2.591 8.256 1.00 0.00 C ATOM 1626 OG SER A 100 24.721 -1.620 8.515 1.00 0.00 O ATOM 0 H SER A 100 23.434 -1.874 5.553 1.00 0.00 H new ATOM 0 HA SER A 100 24.892 -3.959 7.063 1.00 0.00 H new ATOM 0 HB2 SER A 100 22.742 -2.105 8.195 1.00 0.00 H new ATOM 0 HB3 SER A 100 23.667 -3.300 9.083 1.00 0.00 H new ATOM 0 HG SER A 100 24.517 -1.153 9.352 1.00 0.00 H new ATOM 1632 N ASP A 101 22.258 -4.098 5.425 1.00 0.00 N ATOM 1633 CA ASP A 101 21.130 -4.918 4.943 1.00 0.00 C ATOM 1634 C ASP A 101 19.882 -4.769 5.810 1.00 0.00 C ATOM 1635 O ASP A 101 18.934 -5.538 5.662 1.00 0.00 O ATOM 1636 CB ASP A 101 21.496 -6.406 4.865 1.00 0.00 C ATOM 1637 CG ASP A 101 22.564 -6.718 3.838 1.00 0.00 C ATOM 1638 OD1 ASP A 101 22.345 -6.453 2.637 1.00 0.00 O ATOM 1639 OD2 ASP A 101 23.620 -7.258 4.229 1.00 0.00 O ATOM 0 H ASP A 101 22.553 -3.380 4.763 1.00 0.00 H new ATOM 0 HA ASP A 101 20.910 -4.543 3.943 1.00 0.00 H new ATOM 0 HB2 ASP A 101 21.839 -6.738 5.845 1.00 0.00 H new ATOM 0 HB3 ASP A 101 20.600 -6.980 4.629 1.00 0.00 H new ATOM 1644 N GLU A 102 19.871 -3.788 6.707 1.00 0.00 N ATOM 1645 CA GLU A 102 18.722 -3.563 7.580 1.00 0.00 C ATOM 1646 C GLU A 102 17.524 -3.115 6.759 1.00 0.00 C ATOM 1647 O GLU A 102 17.673 -2.343 5.818 1.00 0.00 O ATOM 1648 CB GLU A 102 19.039 -2.489 8.624 1.00 0.00 C ATOM 1649 CG GLU A 102 20.298 -2.753 9.426 1.00 0.00 C ATOM 1650 CD GLU A 102 20.586 -1.636 10.406 1.00 0.00 C ATOM 1651 OE1 GLU A 102 20.890 -0.510 9.958 1.00 0.00 O ATOM 1652 OE2 GLU A 102 20.499 -1.876 11.631 1.00 0.00 O ATOM 0 H GLU A 102 20.643 -3.137 6.849 1.00 0.00 H new ATOM 0 HA GLU A 102 18.493 -4.500 8.087 1.00 0.00 H new ATOM 0 HB2 GLU A 102 19.138 -1.527 8.121 1.00 0.00 H new ATOM 0 HB3 GLU A 102 18.196 -2.405 9.310 1.00 0.00 H new ATOM 0 HG2 GLU A 102 20.193 -3.693 9.967 1.00 0.00 H new ATOM 0 HG3 GLU A 102 21.143 -2.868 8.748 1.00 0.00 H new ATOM 1659 N ILE A 103 16.342 -3.585 7.113 1.00 0.00 N ATOM 1660 CA ILE A 103 15.138 -3.172 6.410 1.00 0.00 C ATOM 1661 C ILE A 103 14.538 -1.978 7.119 1.00 0.00 C ATOM 1662 O ILE A 103 13.931 -2.118 8.183 1.00 0.00 O ATOM 1663 CB ILE A 103 14.081 -4.295 6.341 1.00 0.00 C ATOM 1664 CG1 ILE A 103 14.701 -5.576 5.794 1.00 0.00 C ATOM 1665 CG2 ILE A 103 12.899 -3.866 5.484 1.00 0.00 C ATOM 1666 CD1 ILE A 103 15.318 -5.428 4.420 1.00 0.00 C ATOM 0 H ILE A 103 16.189 -4.246 7.875 1.00 0.00 H new ATOM 0 HA ILE A 103 15.423 -2.922 5.388 1.00 0.00 H new ATOM 0 HB ILE A 103 13.719 -4.490 7.351 1.00 0.00 H new ATOM 0 HG12 ILE A 103 15.467 -5.921 6.489 1.00 0.00 H new ATOM 0 HG13 ILE A 103 13.934 -6.350 5.754 1.00 0.00 H new ATOM 0 HG21 ILE A 103 12.165 -4.671 5.448 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.441 -2.976 5.915 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.244 -3.643 4.474 1.00 0.00 H new ATOM 0 HD11 ILE A 103 15.736 -6.384 4.104 1.00 0.00 H new ATOM 0 HD12 ILE A 103 14.553 -5.114 3.710 1.00 0.00 H new ATOM 0 HD13 ILE A 103 16.109 -4.679 4.455 1.00 0.00 H new ATOM 1678 N GLU A 104 14.740 -0.799 6.543 1.00 0.00 N ATOM 1679 CA GLU A 104 14.223 0.423 7.130 1.00 0.00 C ATOM 1680 C GLU A 104 12.709 0.361 7.189 1.00 0.00 C ATOM 1681 O GLU A 104 12.085 0.732 8.182 1.00 0.00 O ATOM 1682 CB GLU A 104 14.640 1.644 6.319 1.00 0.00 C ATOM 1683 CG GLU A 104 16.080 1.618 5.891 1.00 0.00 C ATOM 1684 CD GLU A 104 16.657 3.008 5.715 1.00 0.00 C ATOM 1685 OE1 GLU A 104 16.103 3.801 4.926 1.00 0.00 O ATOM 1686 OE2 GLU A 104 17.669 3.316 6.374 1.00 0.00 O ATOM 0 H GLU A 104 15.257 -0.667 5.673 1.00 0.00 H new ATOM 0 HA GLU A 104 14.635 0.515 8.135 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.008 1.715 5.434 1.00 0.00 H new ATOM 0 HB3 GLU A 104 14.462 2.542 6.911 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.667 1.076 6.633 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.167 1.070 4.953 1.00 0.00 H new ATOM 1693 N TYR A 105 12.149 -0.133 6.098 1.00 0.00 N ATOM 1694 CA TYR A 105 10.712 -0.186 5.896 1.00 0.00 C ATOM 1695 C TYR A 105 10.422 -0.835 4.551 1.00 0.00 C ATOM 1696 O TYR A 105 11.344 -1.170 3.802 1.00 0.00 O ATOM 1697 CB TYR A 105 10.100 1.231 5.939 1.00 0.00 C ATOM 1698 CG TYR A 105 10.901 2.285 5.195 1.00 0.00 C ATOM 1699 CD1 TYR A 105 10.975 2.301 3.807 1.00 0.00 C ATOM 1700 CD2 TYR A 105 11.598 3.263 5.895 1.00 0.00 C ATOM 1701 CE1 TYR A 105 11.722 3.256 3.143 1.00 0.00 C ATOM 1702 CE2 TYR A 105 12.342 4.222 5.237 1.00 0.00 C ATOM 1703 CZ TYR A 105 12.403 4.214 3.862 1.00 0.00 C ATOM 1704 OH TYR A 105 13.157 5.161 3.205 1.00 0.00 O ATOM 0 H TYR A 105 12.686 -0.513 5.319 1.00 0.00 H new ATOM 0 HA TYR A 105 10.263 -0.775 6.696 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.095 1.192 5.518 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.998 1.538 6.980 1.00 0.00 H new ATOM 0 HD1 TYR A 105 10.440 1.555 3.238 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.557 3.273 6.974 1.00 0.00 H new ATOM 0 HE1 TYR A 105 11.772 3.251 2.064 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.874 4.975 5.799 1.00 0.00 H new ATOM 0 HH TYR A 105 13.571 5.762 3.860 1.00 0.00 H new ATOM 1714 N ILE A 106 9.152 -1.012 4.254 1.00 0.00 N ATOM 1715 CA ILE A 106 8.738 -1.536 2.970 1.00 0.00 C ATOM 1716 C ILE A 106 8.324 -0.380 2.070 1.00 0.00 C ATOM 1717 O ILE A 106 7.677 0.568 2.525 1.00 0.00 O ATOM 1718 CB ILE A 106 7.559 -2.527 3.110 1.00 0.00 C ATOM 1719 CG1 ILE A 106 7.901 -3.629 4.114 1.00 0.00 C ATOM 1720 CG2 ILE A 106 7.205 -3.135 1.757 1.00 0.00 C ATOM 1721 CD1 ILE A 106 6.759 -4.591 4.371 1.00 0.00 C ATOM 0 H ILE A 106 8.383 -0.799 4.890 1.00 0.00 H new ATOM 0 HA ILE A 106 9.579 -2.076 2.535 1.00 0.00 H new ATOM 0 HB ILE A 106 6.693 -1.977 3.479 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.761 -4.189 3.747 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.198 -3.170 5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.373 -3.829 1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.919 -2.342 1.065 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.069 -3.668 1.361 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.074 -5.345 5.093 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.904 -4.043 4.768 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.476 -5.078 3.438 1.00 0.00 H new ATOM 1733 N ILE A 107 8.677 -0.464 0.802 1.00 0.00 N ATOM 1734 CA ILE A 107 8.333 0.568 -0.157 1.00 0.00 C ATOM 1735 C ILE A 107 7.381 -0.024 -1.174 1.00 0.00 C ATOM 1736 O ILE A 107 7.781 -0.840 -2.006 1.00 0.00 O ATOM 1737 CB ILE A 107 9.568 1.135 -0.889 1.00 0.00 C ATOM 1738 CG1 ILE A 107 10.548 1.754 0.108 1.00 0.00 C ATOM 1739 CG2 ILE A 107 9.142 2.166 -1.931 1.00 0.00 C ATOM 1740 CD1 ILE A 107 11.769 2.359 -0.546 1.00 0.00 C ATOM 0 H ILE A 107 9.206 -1.243 0.410 1.00 0.00 H new ATOM 0 HA ILE A 107 7.875 1.394 0.387 1.00 0.00 H new ATOM 0 HB ILE A 107 10.072 0.315 -1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.033 2.525 0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 107 10.866 0.989 0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 107 10.024 2.556 -2.438 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.483 1.695 -2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 107 8.615 2.984 -1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 107 12.421 2.780 0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 107 12.307 1.587 -1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 107 11.461 3.147 -1.233 1.00 0.00 H new ATOM 1752 N CYS A 108 6.126 0.355 -1.088 1.00 0.00 N ATOM 1753 CA CYS A 108 5.113 -0.223 -1.950 1.00 0.00 C ATOM 1754 C CYS A 108 4.560 0.795 -2.930 1.00 0.00 C ATOM 1755 O CYS A 108 4.283 1.936 -2.573 1.00 0.00 O ATOM 1756 CB CYS A 108 3.984 -0.817 -1.113 1.00 0.00 C ATOM 1757 SG CYS A 108 4.470 -2.276 -0.158 1.00 0.00 S ATOM 0 H CYS A 108 5.781 1.057 -0.434 1.00 0.00 H new ATOM 0 HA CYS A 108 5.586 -1.016 -2.529 1.00 0.00 H new ATOM 0 HB2 CYS A 108 3.612 -0.054 -0.429 1.00 0.00 H new ATOM 0 HB3 CYS A 108 3.158 -1.085 -1.772 1.00 0.00 H new ATOM 0 HG CYS A 108 4.519 -1.972 1.105 1.00 0.00 H new ATOM 1763 N THR A 109 4.429 0.382 -4.174 1.00 0.00 N ATOM 1764 CA THR A 109 3.735 1.178 -5.159 1.00 0.00 C ATOM 1765 C THR A 109 2.323 0.635 -5.316 1.00 0.00 C ATOM 1766 O THR A 109 2.129 -0.569 -5.477 1.00 0.00 O ATOM 1767 CB THR A 109 4.463 1.163 -6.518 1.00 0.00 C ATOM 1768 OG1 THR A 109 5.823 1.590 -6.346 1.00 0.00 O ATOM 1769 CG2 THR A 109 3.765 2.074 -7.521 1.00 0.00 C ATOM 0 H THR A 109 4.796 -0.503 -4.525 1.00 0.00 H new ATOM 0 HA THR A 109 3.708 2.213 -4.818 1.00 0.00 H new ATOM 0 HB THR A 109 4.444 0.144 -6.904 1.00 0.00 H new ATOM 0 HG1 THR A 109 6.282 1.577 -7.212 1.00 0.00 H new ATOM 0 HG21 THR A 109 4.298 2.045 -8.471 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.740 1.734 -7.670 1.00 0.00 H new ATOM 0 HG23 THR A 109 3.757 3.095 -7.140 1.00 0.00 H new ATOM 1777 N ASN A 110 1.347 1.518 -5.257 1.00 0.00 N ATOM 1778 CA ASN A 110 -0.041 1.100 -5.292 1.00 0.00 C ATOM 1779 C ASN A 110 -0.652 1.486 -6.624 1.00 0.00 C ATOM 1780 O ASN A 110 -0.856 2.665 -6.902 1.00 0.00 O ATOM 1781 CB ASN A 110 -0.826 1.731 -4.140 1.00 0.00 C ATOM 1782 CG ASN A 110 -0.296 1.326 -2.776 1.00 0.00 C ATOM 1783 OD1 ASN A 110 0.594 1.970 -2.226 1.00 0.00 O ATOM 1784 ND2 ASN A 110 -0.849 0.260 -2.215 1.00 0.00 N ATOM 0 H ASN A 110 1.487 2.526 -5.185 1.00 0.00 H new ATOM 0 HA ASN A 110 -0.088 0.017 -5.176 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -0.788 2.816 -4.232 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.874 1.441 -4.218 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -0.538 -0.051 -1.295 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.586 -0.249 -2.703 1.00 0.00 H new ATOM 1791 N THR A 111 -0.937 0.491 -7.438 1.00 0.00 N ATOM 1792 CA THR A 111 -1.457 0.709 -8.767 1.00 0.00 C ATOM 1793 C THR A 111 -2.930 0.345 -8.817 1.00 0.00 C ATOM 1794 O THR A 111 -3.292 -0.831 -8.819 1.00 0.00 O ATOM 1795 CB THR A 111 -0.684 -0.134 -9.800 1.00 0.00 C ATOM 1796 OG1 THR A 111 0.712 0.183 -9.736 1.00 0.00 O ATOM 1797 CG2 THR A 111 -1.200 0.110 -11.211 1.00 0.00 C ATOM 0 H THR A 111 -0.814 -0.492 -7.194 1.00 0.00 H new ATOM 0 HA THR A 111 -1.335 1.764 -9.012 1.00 0.00 H new ATOM 0 HB THR A 111 -0.835 -1.186 -9.560 1.00 0.00 H new ATOM 0 HG1 THR A 111 0.880 1.020 -10.218 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.634 -0.499 -11.916 1.00 0.00 H new ATOM 0 HG22 THR A 111 -2.255 -0.159 -11.264 1.00 0.00 H new ATOM 0 HG23 THR A 111 -1.081 1.163 -11.465 1.00 0.00 H new ATOM 1805 N ASN A 112 -3.770 1.355 -8.852 1.00 0.00 N ATOM 1806 CA ASN A 112 -5.204 1.150 -8.925 1.00 0.00 C ATOM 1807 C ASN A 112 -5.569 0.711 -10.331 1.00 0.00 C ATOM 1808 O ASN A 112 -5.357 1.449 -11.295 1.00 0.00 O ATOM 1809 CB ASN A 112 -5.920 2.444 -8.547 1.00 0.00 C ATOM 1810 CG ASN A 112 -7.398 2.472 -8.924 1.00 0.00 C ATOM 1811 OD1 ASN A 112 -7.926 3.515 -9.297 1.00 0.00 O ATOM 1812 ND2 ASN A 112 -8.088 1.345 -8.797 1.00 0.00 N ATOM 0 H ASN A 112 -3.485 2.334 -8.831 1.00 0.00 H new ATOM 0 HA ASN A 112 -5.514 0.373 -8.227 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.828 2.597 -7.472 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.417 3.280 -9.032 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -9.085 1.330 -9.012 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -7.621 0.494 -8.485 1.00 0.00 H new ATOM 1819 N VAL A 113 -6.085 -0.503 -10.451 1.00 0.00 N ATOM 1820 CA VAL A 113 -6.399 -1.058 -11.753 1.00 0.00 C ATOM 1821 C VAL A 113 -7.832 -0.715 -12.141 1.00 0.00 C ATOM 1822 O VAL A 113 -8.091 0.349 -12.701 1.00 0.00 O ATOM 1823 CB VAL A 113 -6.195 -2.592 -11.793 1.00 0.00 C ATOM 1824 CG1 VAL A 113 -6.268 -3.109 -13.221 1.00 0.00 C ATOM 1825 CG2 VAL A 113 -4.869 -2.979 -11.154 1.00 0.00 C ATOM 0 H VAL A 113 -6.293 -1.118 -9.665 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.711 -0.613 -12.471 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.999 -3.053 -11.219 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.122 -4.189 -13.225 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.245 -2.873 -13.644 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.490 -2.636 -13.820 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.748 -4.062 -11.194 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.052 -2.502 -11.695 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.856 -2.651 -10.115 1.00 0.00 H new ATOM 1835 N LYS A 114 -8.760 -1.609 -11.845 1.00 0.00 N ATOM 1836 CA LYS A 114 -10.149 -1.386 -12.179 1.00 0.00 C ATOM 1837 C LYS A 114 -11.083 -2.151 -11.253 1.00 0.00 C ATOM 1838 O LYS A 114 -10.637 -2.989 -10.463 1.00 0.00 O ATOM 1839 CB LYS A 114 -10.374 -1.845 -13.610 1.00 0.00 C ATOM 1840 CG LYS A 114 -10.240 -3.350 -13.783 1.00 0.00 C ATOM 1841 CD LYS A 114 -10.450 -3.777 -15.221 1.00 0.00 C ATOM 1842 CE LYS A 114 -9.409 -3.172 -16.144 1.00 0.00 C ATOM 1843 NZ LYS A 114 -9.521 -3.713 -17.522 1.00 0.00 N ATOM 0 H LYS A 114 -8.573 -2.494 -11.374 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.369 -0.324 -12.066 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -11.368 -1.536 -13.932 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -9.658 -1.345 -14.262 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -9.251 -3.666 -13.452 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -10.966 -3.854 -13.145 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -10.408 -4.864 -15.288 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -11.445 -3.476 -15.548 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -9.528 -2.089 -16.167 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.412 -3.375 -15.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -8.795 -3.278 -18.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -9.383 -4.744 -17.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -10.464 -3.497 -17.904 1.00 0.00 H new ATOM 1857 N ASN A 115 -12.373 -1.835 -11.370 1.00 0.00 N ATOM 1858 CA ASN A 115 -13.454 -2.599 -10.740 1.00 0.00 C ATOM 1859 C ASN A 115 -13.553 -2.332 -9.238 1.00 0.00 C ATOM 1860 O ASN A 115 -12.547 -2.084 -8.567 1.00 0.00 O ATOM 1861 CB ASN A 115 -13.283 -4.099 -11.021 1.00 0.00 C ATOM 1862 CG ASN A 115 -14.390 -4.952 -10.431 1.00 0.00 C ATOM 1863 OD1 ASN A 115 -15.539 -4.527 -10.318 1.00 0.00 O ATOM 1864 ND2 ASN A 115 -14.043 -6.167 -10.054 1.00 0.00 N ATOM 0 H ASN A 115 -12.702 -1.034 -11.910 1.00 0.00 H new ATOM 0 HA ASN A 115 -14.392 -2.263 -11.182 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -13.247 -4.258 -12.099 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -12.326 -4.430 -10.618 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -14.739 -6.794 -9.651 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -13.079 -6.480 -10.166 1.00 0.00 H new ATOM 1871 N SER A 116 -14.791 -2.365 -8.735 1.00 0.00 N ATOM 1872 CA SER A 116 -15.081 -2.190 -7.315 1.00 0.00 C ATOM 1873 C SER A 116 -14.789 -0.761 -6.859 1.00 0.00 C ATOM 1874 O SER A 116 -14.472 -0.515 -5.694 1.00 0.00 O ATOM 1875 CB SER A 116 -14.296 -3.207 -6.484 1.00 0.00 C ATOM 1876 OG SER A 116 -14.613 -4.534 -6.872 1.00 0.00 O ATOM 0 H SER A 116 -15.622 -2.515 -9.307 1.00 0.00 H new ATOM 0 HA SER A 116 -16.145 -2.367 -7.160 1.00 0.00 H new ATOM 0 HB2 SER A 116 -13.227 -3.034 -6.607 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.522 -3.070 -5.427 1.00 0.00 H new ATOM 0 HG SER A 116 -14.098 -5.166 -6.328 1.00 0.00 H new ATOM 1882 N SER A 117 -14.911 0.174 -7.790 1.00 0.00 N ATOM 1883 CA SER A 117 -14.698 1.585 -7.505 1.00 0.00 C ATOM 1884 C SER A 117 -16.018 2.295 -7.224 1.00 0.00 C ATOM 1885 O SER A 117 -16.244 2.815 -6.130 1.00 0.00 O ATOM 1886 CB SER A 117 -14.012 2.244 -8.696 1.00 0.00 C ATOM 1887 OG SER A 117 -14.249 1.502 -9.885 1.00 0.00 O ATOM 0 H SER A 117 -15.159 -0.023 -8.760 1.00 0.00 H new ATOM 0 HA SER A 117 -14.069 1.665 -6.618 1.00 0.00 H new ATOM 0 HB2 SER A 117 -14.381 3.262 -8.817 1.00 0.00 H new ATOM 0 HB3 SER A 117 -12.940 2.313 -8.512 1.00 0.00 H new ATOM 0 HG SER A 117 -13.803 1.941 -10.639 1.00 0.00 H new ATOM 1893 N GLN A 118 -16.876 2.317 -8.229 1.00 0.00 N ATOM 1894 CA GLN A 118 -18.160 2.979 -8.130 1.00 0.00 C ATOM 1895 C GLN A 118 -19.281 1.953 -8.208 1.00 0.00 C ATOM 1896 O GLN A 118 -19.068 0.759 -7.976 1.00 0.00 O ATOM 1897 CB GLN A 118 -18.308 4.016 -9.253 1.00 0.00 C ATOM 1898 CG GLN A 118 -17.305 5.162 -9.177 1.00 0.00 C ATOM 1899 CD GLN A 118 -17.573 6.111 -8.020 1.00 0.00 C ATOM 1900 OE1 GLN A 118 -16.650 6.690 -7.448 1.00 0.00 O ATOM 1901 NE2 GLN A 118 -18.841 6.300 -7.685 1.00 0.00 N ATOM 0 H GLN A 118 -16.701 1.877 -9.133 1.00 0.00 H new ATOM 0 HA GLN A 118 -18.220 3.493 -7.171 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -18.198 3.514 -10.214 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -19.317 4.427 -9.223 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -16.300 4.752 -9.078 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -17.330 5.722 -10.112 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -19.579 5.802 -8.182 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -19.079 6.943 -6.930 1.00 0.00 H new ATOM 1910 N GLU A 119 -20.463 2.426 -8.545 1.00 0.00 N ATOM 1911 CA GLU A 119 -21.641 1.576 -8.634 1.00 0.00 C ATOM 1912 C GLU A 119 -21.770 1.002 -10.041 1.00 0.00 C ATOM 1913 O GLU A 119 -21.810 -0.240 -10.184 1.00 0.00 O ATOM 1914 CB GLU A 119 -22.893 2.372 -8.257 1.00 0.00 C ATOM 1915 CG GLU A 119 -24.181 1.570 -8.326 1.00 0.00 C ATOM 1916 CD GLU A 119 -25.377 2.356 -7.827 1.00 0.00 C ATOM 1917 OE1 GLU A 119 -25.751 3.354 -8.473 1.00 0.00 O ATOM 1918 OE2 GLU A 119 -25.937 1.989 -6.774 1.00 0.00 O ATOM 1919 OXT GLU A 119 -21.799 1.796 -11.004 1.00 0.00 O ATOM 0 H GLU A 119 -20.638 3.406 -8.765 1.00 0.00 H new ATOM 0 HA GLU A 119 -21.535 0.748 -7.934 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -22.773 2.760 -7.246 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -22.977 3.232 -8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -24.358 1.259 -9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -24.073 0.662 -7.733 1.00 0.00 H new TER 1926 GLU A 119