USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 955 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 169:sc= -0.29 (180deg=-0.656) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc=0.000502 USER MOD Single : A 29 THR OG1 : rot -160:sc= -0.406 USER MOD Single : A 30 CYS SG : rot 170:sc= -0.457 USER MOD Single : A 31 THR OG1 : rot 100:sc= 1.84 USER MOD Single : A 32 THR OG1 : rot 13:sc= 0.461! USER MOD Single : A 35 ASN : amide:sc= -0.298 K(o=-0.3,f=-1.4!) USER MOD Single : A 37 ASN : amide:sc= -0.701 K(o=-0.7,f=-0.13) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -138:sc= -0.0136 (180deg=-0.341) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.703 USER MOD Single : A 53 SER OG : rot 180:sc= -0.535 USER MOD Single : A 57 MET CE :methyl 153:sc= -0.369 (180deg=-1.23) USER MOD Single : A 60 MET CE :methyl -177:sc= -1.18 (180deg=-1.31) USER MOD Single : A 67 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.137) USER MOD Single : A 68 GLN : amide:sc= -5.91! C(o=-5.9!,f=-4.9!) USER MOD Single : A 70 LYS NZ :NH3+ -177:sc= -0.101 (180deg=-0.122) USER MOD Single : A 71 GLN : amide:sc= -0.463 X(o=-0.46,f=-0.69) USER MOD Single : A 73 HIS : no HD1:sc= -2.35 X(o=-2.3,f=-2.8!) USER MOD Single : A 75 MET CE :methyl -156:sc= -0.0829 (180deg=-0.453) USER MOD Single : A 81 MET CE :methyl -133:sc= -6.28! (180deg=-14.1!) USER MOD Single : A 82 THR OG1 : rot 110:sc= -0.888 USER MOD Single : A 84 HIS : no HD1:sc= -4.58 K(o=-4.6,f=-3.9!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -147:sc= -2.79! USER MOD Single : A 95 GLN : amide:sc= -0.0186 K(o=-0.019,f=-1.4!) USER MOD Single : A 96 GLN : amide:sc= -0.416 K(o=-0.42,f=-1.4) USER MOD Single : A 101 TYR OH : rot 30:sc= -2.93! USER MOD Single : A 104 LYS NZ :NH3+ -154:sc= 1.21 (180deg=0.563) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= 0.215 K(o=0.21,f=-0.84) USER MOD Single : A 122 TYR OH : rot -84:sc= 0.566 USER MOD Single : A 123 GLN : amide:sc= 0.978 K(o=0.98,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.300 0.315 1.652 1.00 43.31 N ATOM 2 CA MET A 1 1.272 0.067 0.593 1.00 10.02 C ATOM 3 C MET A 1 1.712 -1.394 0.591 1.00 40.52 C ATOM 4 O MET A 1 2.591 -1.787 1.357 1.00 43.43 O ATOM 5 CB MET A 1 2.489 0.978 0.765 1.00 51.24 C ATOM 6 CG MET A 1 3.520 0.830 -0.343 1.00 14.41 C ATOM 7 SD MET A 1 4.666 2.220 -0.415 1.00 1.23 S ATOM 8 CE MET A 1 6.230 1.361 -0.573 1.00 12.24 C ATOM 0 H1 MET A 1 0.015 1.315 1.634 1.00 43.31 H new ATOM 0 H2 MET A 1 -0.536 -0.286 1.504 1.00 43.31 H new ATOM 0 H3 MET A 1 0.727 0.093 2.574 1.00 43.31 H new ATOM 0 HA MET A 1 0.795 0.286 -0.362 1.00 10.02 H new ATOM 0 HB2 MET A 1 2.154 2.015 0.803 1.00 51.24 H new ATOM 0 HB3 MET A 1 2.963 0.761 1.722 1.00 51.24 H new ATOM 0 HG2 MET A 1 4.082 -0.092 -0.191 1.00 14.41 H new ATOM 0 HG3 MET A 1 3.008 0.736 -1.301 1.00 14.41 H new ATOM 0 HE1 MET A 1 7.014 2.076 -0.824 1.00 12.24 H new ATOM 0 HE2 MET A 1 6.473 0.872 0.370 1.00 12.24 H new ATOM 0 HE3 MET A 1 6.156 0.612 -1.361 1.00 12.24 H new ATOM 18 N GLN A 2 1.095 -2.192 -0.274 1.00 54.43 N ATOM 19 CA GLN A 2 1.423 -3.609 -0.374 1.00 40.33 C ATOM 20 C GLN A 2 2.539 -3.839 -1.388 1.00 51.42 C ATOM 21 O GLN A 2 2.354 -4.545 -2.380 1.00 1.43 O ATOM 22 CB GLN A 2 0.184 -4.414 -0.770 1.00 63.20 C ATOM 23 CG GLN A 2 -0.498 -3.902 -2.028 1.00 62.55 C ATOM 24 CD GLN A 2 -1.891 -3.367 -1.761 1.00 23.32 C ATOM 25 OE1 GLN A 2 -2.114 -2.156 -1.761 1.00 64.32 O ATOM 26 NE2 GLN A 2 -2.838 -4.269 -1.531 1.00 24.35 N ATOM 0 H GLN A 2 0.365 -1.882 -0.916 1.00 54.43 H new ATOM 0 HA GLN A 2 1.770 -3.946 0.603 1.00 40.33 H new ATOM 0 HB2 GLN A 2 0.470 -5.455 -0.920 1.00 63.20 H new ATOM 0 HB3 GLN A 2 -0.530 -4.395 0.054 1.00 63.20 H new ATOM 0 HG2 GLN A 2 0.111 -3.114 -2.471 1.00 62.55 H new ATOM 0 HG3 GLN A 2 -0.557 -4.709 -2.759 1.00 62.55 H new ATOM 0 HE21 GLN A 2 -2.609 -5.263 -1.541 1.00 24.35 H new ATOM 0 HE22 GLN A 2 -3.795 -3.968 -1.345 1.00 24.35 H new ATOM 35 N ARG A 3 3.697 -3.238 -1.133 1.00 14.20 N ATOM 36 CA ARG A 3 4.842 -3.376 -2.024 1.00 71.04 C ATOM 37 C ARG A 3 5.317 -4.825 -2.078 1.00 60.15 C ATOM 38 O ARG A 3 5.920 -5.255 -3.061 1.00 24.04 O ATOM 39 CB ARG A 3 5.985 -2.470 -1.564 1.00 44.15 C ATOM 40 CG ARG A 3 6.801 -3.052 -0.422 1.00 3.44 C ATOM 41 CD ARG A 3 6.014 -3.054 0.880 1.00 64.44 C ATOM 42 NE ARG A 3 5.646 -1.705 1.300 1.00 44.03 N ATOM 43 CZ ARG A 3 5.331 -1.385 2.550 1.00 52.23 C ATOM 44 NH1 ARG A 3 5.339 -2.312 3.497 1.00 32.12 N ATOM 45 NH2 ARG A 3 5.007 -0.135 2.854 1.00 52.50 N ATOM 0 H ARG A 3 3.867 -2.651 -0.316 1.00 14.20 H new ATOM 0 HA ARG A 3 4.530 -3.076 -3.025 1.00 71.04 H new ATOM 0 HB2 ARG A 3 6.646 -2.275 -2.409 1.00 44.15 H new ATOM 0 HB3 ARG A 3 5.574 -1.510 -1.253 1.00 44.15 H new ATOM 0 HG2 ARG A 3 7.100 -4.071 -0.669 1.00 3.44 H new ATOM 0 HG3 ARG A 3 7.716 -2.473 -0.295 1.00 3.44 H new ATOM 0 HD2 ARG A 3 5.112 -3.654 0.757 1.00 64.44 H new ATOM 0 HD3 ARG A 3 6.608 -3.527 1.662 1.00 64.44 H new ATOM 0 HE ARG A 3 5.630 -0.968 0.595 1.00 44.03 H new ATOM 0 HH11 ARG A 3 5.588 -3.274 3.267 1.00 32.12 H new ATOM 0 HH12 ARG A 3 5.097 -2.063 4.456 1.00 32.12 H new ATOM 0 HH21 ARG A 3 5.000 0.581 2.128 1.00 52.50 H new ATOM 0 HH22 ARG A 3 4.765 0.110 3.814 1.00 52.50 H new ATOM 59 N GLY A 4 5.041 -5.573 -1.015 1.00 34.43 N ATOM 60 CA GLY A 4 5.447 -6.965 -0.961 1.00 24.41 C ATOM 61 C GLY A 4 4.341 -7.874 -0.462 1.00 3.22 C ATOM 62 O GLY A 4 3.900 -7.755 0.682 1.00 42.23 O ATOM 0 H GLY A 4 4.543 -5.240 -0.189 1.00 34.43 H new ATOM 0 HA2 GLY A 4 5.758 -7.288 -1.955 1.00 24.41 H new ATOM 0 HA3 GLY A 4 6.315 -7.062 -0.308 1.00 24.41 H new ATOM 66 N ILE A 5 3.891 -8.782 -1.321 1.00 23.34 N ATOM 67 CA ILE A 5 2.830 -9.714 -0.960 1.00 55.41 C ATOM 68 C ILE A 5 3.379 -10.893 -0.165 1.00 2.34 C ATOM 69 O ILE A 5 4.471 -11.389 -0.444 1.00 12.03 O ATOM 70 CB ILE A 5 2.100 -10.246 -2.208 1.00 10.14 C ATOM 71 CG1 ILE A 5 1.364 -9.109 -2.919 1.00 11.41 C ATOM 72 CG2 ILE A 5 1.130 -11.352 -1.822 1.00 32.50 C ATOM 73 CD1 ILE A 5 1.098 -9.383 -4.383 1.00 1.05 C ATOM 0 H ILE A 5 4.244 -8.892 -2.271 1.00 23.34 H new ATOM 0 HA ILE A 5 2.122 -9.162 -0.342 1.00 55.41 H new ATOM 0 HB ILE A 5 2.839 -10.660 -2.894 1.00 10.14 H new ATOM 0 HG12 ILE A 5 0.415 -8.929 -2.413 1.00 11.41 H new ATOM 0 HG13 ILE A 5 1.951 -8.195 -2.830 1.00 11.41 H new ATOM 0 HG21 ILE A 5 0.622 -11.718 -2.714 1.00 32.50 H new ATOM 0 HG22 ILE A 5 1.678 -12.170 -1.355 1.00 32.50 H new ATOM 0 HG23 ILE A 5 0.394 -10.961 -1.119 1.00 32.50 H new ATOM 0 HD11 ILE A 5 0.573 -8.535 -4.822 1.00 1.05 H new ATOM 0 HD12 ILE A 5 2.044 -9.533 -4.903 1.00 1.05 H new ATOM 0 HD13 ILE A 5 0.484 -10.279 -4.480 1.00 1.05 H new ATOM 85 N VAL A 6 2.615 -11.338 0.827 1.00 35.51 N ATOM 86 CA VAL A 6 3.023 -12.462 1.662 1.00 41.21 C ATOM 87 C VAL A 6 1.975 -13.568 1.646 1.00 74.53 C ATOM 88 O VAL A 6 0.830 -13.358 2.046 1.00 75.25 O ATOM 89 CB VAL A 6 3.265 -12.020 3.118 1.00 62.54 C ATOM 90 CG1 VAL A 6 4.012 -13.100 3.886 1.00 71.21 C ATOM 91 CG2 VAL A 6 4.027 -10.704 3.155 1.00 21.31 C ATOM 0 H VAL A 6 1.710 -10.937 1.072 1.00 35.51 H new ATOM 0 HA VAL A 6 3.955 -12.844 1.246 1.00 41.21 H new ATOM 0 HB VAL A 6 2.299 -11.868 3.599 1.00 62.54 H new ATOM 0 HG11 VAL A 6 4.174 -12.771 4.912 1.00 71.21 H new ATOM 0 HG12 VAL A 6 3.424 -14.018 3.888 1.00 71.21 H new ATOM 0 HG13 VAL A 6 4.974 -13.287 3.409 1.00 71.21 H new ATOM 0 HG21 VAL A 6 4.189 -10.407 4.191 1.00 21.31 H new ATOM 0 HG22 VAL A 6 4.989 -10.827 2.658 1.00 21.31 H new ATOM 0 HG23 VAL A 6 3.449 -9.935 2.643 1.00 21.31 H new ATOM 101 N TRP A 7 2.374 -14.747 1.182 1.00 51.15 N ATOM 102 CA TRP A 7 1.468 -15.888 1.114 1.00 61.14 C ATOM 103 C TRP A 7 1.724 -16.856 2.264 1.00 42.41 C ATOM 104 O TRP A 7 2.840 -16.944 2.777 1.00 13.53 O ATOM 105 CB TRP A 7 1.627 -16.613 -0.224 1.00 4.12 C ATOM 106 CG TRP A 7 1.143 -15.812 -1.395 1.00 24.23 C ATOM 107 CD1 TRP A 7 0.530 -14.593 -1.356 1.00 54.12 C ATOM 108 CD2 TRP A 7 1.231 -16.176 -2.777 1.00 4.13 C ATOM 109 NE1 TRP A 7 0.231 -14.177 -2.631 1.00 53.42 N ATOM 110 CE2 TRP A 7 0.652 -15.129 -3.521 1.00 32.45 C ATOM 111 CE3 TRP A 7 1.745 -17.282 -3.458 1.00 62.33 C ATOM 112 CZ2 TRP A 7 0.572 -15.160 -4.910 1.00 51.12 C ATOM 113 CZ3 TRP A 7 1.665 -17.311 -4.838 1.00 31.25 C ATOM 114 CH2 TRP A 7 1.083 -16.255 -5.552 1.00 33.43 C ATOM 0 H TRP A 7 3.318 -14.938 0.847 1.00 51.15 H new ATOM 0 HA TRP A 7 0.447 -15.515 1.198 1.00 61.14 H new ATOM 0 HB2 TRP A 7 2.678 -16.861 -0.372 1.00 4.12 H new ATOM 0 HB3 TRP A 7 1.080 -17.555 -0.186 1.00 4.12 H new ATOM 0 HD1 TRP A 7 0.312 -14.037 -0.456 1.00 54.12 H new ATOM 0 HE1 TRP A 7 -0.230 -13.301 -2.875 1.00 53.42 H new ATOM 0 HE3 TRP A 7 2.197 -18.100 -2.916 1.00 62.33 H new ATOM 0 HZ2 TRP A 7 0.122 -14.348 -5.462 1.00 51.12 H new ATOM 0 HZ3 TRP A 7 2.058 -18.162 -5.375 1.00 31.25 H new ATOM 0 HH2 TRP A 7 1.037 -16.306 -6.630 1.00 33.43 H new ATOM 125 N VAL A 8 0.685 -17.581 2.664 1.00 14.45 N ATOM 126 CA VAL A 8 0.798 -18.543 3.754 1.00 60.13 C ATOM 127 C VAL A 8 -0.083 -19.762 3.504 1.00 64.22 C ATOM 128 O VAL A 8 -1.152 -19.657 2.903 1.00 41.40 O ATOM 129 CB VAL A 8 0.410 -17.911 5.104 1.00 71.33 C ATOM 130 CG1 VAL A 8 0.885 -18.781 6.257 1.00 23.51 C ATOM 131 CG2 VAL A 8 0.979 -16.505 5.216 1.00 14.14 C ATOM 0 H VAL A 8 -0.245 -17.521 2.250 1.00 14.45 H new ATOM 0 HA VAL A 8 1.842 -18.854 3.794 1.00 60.13 H new ATOM 0 HB VAL A 8 -0.677 -17.844 5.156 1.00 71.33 H new ATOM 0 HG11 VAL A 8 0.602 -18.318 7.202 1.00 23.51 H new ATOM 0 HG12 VAL A 8 0.425 -19.766 6.183 1.00 23.51 H new ATOM 0 HG13 VAL A 8 1.969 -18.883 6.213 1.00 23.51 H new ATOM 0 HG21 VAL A 8 0.695 -16.073 6.176 1.00 14.14 H new ATOM 0 HG22 VAL A 8 2.066 -16.545 5.143 1.00 14.14 H new ATOM 0 HG23 VAL A 8 0.584 -15.887 4.409 1.00 14.14 H new ATOM 141 N VAL A 9 0.374 -20.921 3.969 1.00 11.44 N ATOM 142 CA VAL A 9 -0.373 -22.161 3.798 1.00 21.11 C ATOM 143 C VAL A 9 -0.262 -23.045 5.035 1.00 4.13 C ATOM 144 O VAL A 9 0.838 -23.344 5.500 1.00 65.30 O ATOM 145 CB VAL A 9 0.122 -22.950 2.571 1.00 3.51 C ATOM 146 CG1 VAL A 9 1.574 -23.365 2.753 1.00 3.54 C ATOM 147 CG2 VAL A 9 -0.761 -24.164 2.326 1.00 11.54 C ATOM 0 H VAL A 9 1.258 -21.026 4.467 1.00 11.44 H new ATOM 0 HA VAL A 9 -1.416 -21.883 3.646 1.00 21.11 H new ATOM 0 HB VAL A 9 0.061 -22.303 1.696 1.00 3.51 H new ATOM 0 HG11 VAL A 9 1.906 -23.921 1.876 1.00 3.54 H new ATOM 0 HG12 VAL A 9 2.194 -22.477 2.875 1.00 3.54 H new ATOM 0 HG13 VAL A 9 1.664 -23.995 3.638 1.00 3.54 H new ATOM 0 HG21 VAL A 9 -0.396 -24.709 1.455 1.00 11.54 H new ATOM 0 HG22 VAL A 9 -0.735 -24.815 3.200 1.00 11.54 H new ATOM 0 HG23 VAL A 9 -1.786 -23.838 2.147 1.00 11.54 H new ATOM 157 N ASP A 10 -1.407 -23.460 5.564 1.00 54.10 N ATOM 158 CA ASP A 10 -1.439 -24.312 6.747 1.00 13.33 C ATOM 159 C ASP A 10 -2.638 -25.255 6.706 1.00 44.22 C ATOM 160 O ASP A 10 -3.332 -25.348 5.693 1.00 23.43 O ATOM 161 CB ASP A 10 -1.490 -23.458 8.015 1.00 13.22 C ATOM 162 CG ASP A 10 -2.754 -22.625 8.102 1.00 31.10 C ATOM 163 OD1 ASP A 10 -3.853 -23.217 8.141 1.00 55.21 O ATOM 164 OD2 ASP A 10 -2.644 -21.382 8.132 1.00 0.31 O ATOM 0 H ASP A 10 -2.326 -23.220 5.192 1.00 54.10 H new ATOM 0 HA ASP A 10 -0.529 -24.911 6.757 1.00 13.33 H new ATOM 0 HB2 ASP A 10 -1.425 -24.106 8.889 1.00 13.22 H new ATOM 0 HB3 ASP A 10 -0.622 -22.799 8.041 1.00 13.22 H new ATOM 169 N ASP A 11 -2.874 -25.952 7.812 1.00 64.25 N ATOM 170 CA ASP A 11 -3.988 -26.888 7.902 1.00 61.52 C ATOM 171 C ASP A 11 -4.879 -26.560 9.096 1.00 45.20 C ATOM 172 O ASP A 11 -5.680 -27.386 9.531 1.00 34.41 O ATOM 173 CB ASP A 11 -3.469 -28.323 8.016 1.00 1.44 C ATOM 174 CG ASP A 11 -4.010 -29.223 6.924 1.00 71.35 C ATOM 175 OD1 ASP A 11 -3.804 -28.902 5.735 1.00 72.34 O ATOM 176 OD2 ASP A 11 -4.641 -30.249 7.257 1.00 5.32 O ATOM 0 H ASP A 11 -2.309 -25.886 8.658 1.00 64.25 H new ATOM 0 HA ASP A 11 -4.582 -26.796 6.993 1.00 61.52 H new ATOM 0 HB2 ASP A 11 -2.380 -28.317 7.971 1.00 1.44 H new ATOM 0 HB3 ASP A 11 -3.746 -28.730 8.989 1.00 1.44 H new ATOM 181 N ASP A 12 -4.731 -25.349 9.622 1.00 51.34 N ATOM 182 CA ASP A 12 -5.522 -24.910 10.766 1.00 60.42 C ATOM 183 C ASP A 12 -6.354 -23.682 10.412 1.00 12.34 C ATOM 184 O ASP A 12 -5.997 -22.913 9.520 1.00 65.11 O ATOM 185 CB ASP A 12 -4.610 -24.600 11.954 1.00 54.20 C ATOM 186 CG ASP A 12 -4.778 -25.593 13.087 1.00 2.12 C ATOM 187 OD1 ASP A 12 -4.609 -26.806 12.842 1.00 3.45 O ATOM 188 OD2 ASP A 12 -5.079 -25.158 14.219 1.00 44.44 O ATOM 0 H ASP A 12 -4.071 -24.654 9.274 1.00 51.34 H new ATOM 0 HA ASP A 12 -6.200 -25.718 11.040 1.00 60.42 H new ATOM 0 HB2 ASP A 12 -3.572 -24.604 11.622 1.00 54.20 H new ATOM 0 HB3 ASP A 12 -4.824 -23.596 12.320 1.00 54.20 H new ATOM 193 N SER A 13 -7.467 -23.504 11.118 1.00 44.21 N ATOM 194 CA SER A 13 -8.353 -22.371 10.875 1.00 23.34 C ATOM 195 C SER A 13 -7.766 -21.089 11.457 1.00 13.42 C ATOM 196 O SER A 13 -7.678 -20.068 10.775 1.00 64.15 O ATOM 197 CB SER A 13 -9.732 -22.636 11.483 1.00 64.44 C ATOM 198 OG SER A 13 -10.764 -22.213 10.609 1.00 63.14 O ATOM 0 H SER A 13 -7.776 -24.129 11.862 1.00 44.21 H new ATOM 0 HA SER A 13 -8.457 -22.246 9.797 1.00 23.34 H new ATOM 0 HB2 SER A 13 -9.842 -23.700 11.693 1.00 64.44 H new ATOM 0 HB3 SER A 13 -9.820 -22.113 12.435 1.00 64.44 H new ATOM 0 HG SER A 13 -11.635 -22.395 11.019 1.00 63.14 H new ATOM 204 N SER A 14 -7.367 -21.149 12.724 1.00 54.13 N ATOM 205 CA SER A 14 -6.793 -19.992 13.400 1.00 1.11 C ATOM 206 C SER A 14 -5.425 -19.647 12.819 1.00 22.14 C ATOM 207 O SER A 14 -5.128 -18.482 12.552 1.00 23.40 O ATOM 208 CB SER A 14 -6.669 -20.261 14.901 1.00 72.50 C ATOM 209 OG SER A 14 -5.990 -21.481 15.146 1.00 43.31 O ATOM 0 H SER A 14 -7.431 -21.987 13.302 1.00 54.13 H new ATOM 0 HA SER A 14 -7.459 -19.144 13.244 1.00 1.11 H new ATOM 0 HB2 SER A 14 -6.133 -19.441 15.378 1.00 72.50 H new ATOM 0 HB3 SER A 14 -7.661 -20.297 15.350 1.00 72.50 H new ATOM 0 HG SER A 14 -5.922 -21.629 16.112 1.00 43.31 H new ATOM 215 N ILE A 15 -4.596 -20.668 12.627 1.00 33.04 N ATOM 216 CA ILE A 15 -3.260 -20.474 12.078 1.00 74.04 C ATOM 217 C ILE A 15 -3.302 -19.607 10.824 1.00 74.33 C ATOM 218 O ILE A 15 -2.497 -18.690 10.663 1.00 22.34 O ATOM 219 CB ILE A 15 -2.591 -21.819 11.737 1.00 53.45 C ATOM 220 CG1 ILE A 15 -2.372 -22.641 13.008 1.00 71.11 C ATOM 221 CG2 ILE A 15 -1.272 -21.586 11.016 1.00 41.23 C ATOM 222 CD1 ILE A 15 -1.518 -21.940 14.041 1.00 33.33 C ATOM 0 H ILE A 15 -4.826 -21.638 12.844 1.00 33.04 H new ATOM 0 HA ILE A 15 -2.673 -19.970 12.846 1.00 74.04 H new ATOM 0 HB ILE A 15 -3.251 -22.379 11.074 1.00 53.45 H new ATOM 0 HG12 ILE A 15 -3.340 -22.878 13.449 1.00 71.11 H new ATOM 0 HG13 ILE A 15 -1.902 -23.588 12.742 1.00 71.11 H new ATOM 0 HG21 ILE A 15 -0.811 -22.546 10.782 1.00 41.23 H new ATOM 0 HG22 ILE A 15 -1.454 -21.036 10.093 1.00 41.23 H new ATOM 0 HG23 ILE A 15 -0.604 -21.009 11.656 1.00 41.23 H new ATOM 0 HD11 ILE A 15 -1.405 -22.581 14.915 1.00 33.33 H new ATOM 0 HD12 ILE A 15 -0.536 -21.727 13.618 1.00 33.33 H new ATOM 0 HD13 ILE A 15 -1.997 -21.006 14.336 1.00 33.33 H new ATOM 234 N ARG A 16 -4.248 -19.903 9.938 1.00 32.11 N ATOM 235 CA ARG A 16 -4.396 -19.150 8.698 1.00 31.42 C ATOM 236 C ARG A 16 -5.125 -17.833 8.946 1.00 42.13 C ATOM 237 O ARG A 16 -4.984 -16.881 8.178 1.00 0.22 O ATOM 238 CB ARG A 16 -5.156 -19.979 7.661 1.00 34.22 C ATOM 239 CG ARG A 16 -6.659 -19.748 7.680 1.00 64.25 C ATOM 240 CD ARG A 16 -7.417 -20.977 7.202 1.00 0.31 C ATOM 241 NE ARG A 16 -8.861 -20.758 7.190 1.00 21.34 N ATOM 242 CZ ARG A 16 -9.716 -21.532 6.531 1.00 20.45 C ATOM 243 NH1 ARG A 16 -9.274 -22.570 5.835 1.00 74.43 N ATOM 244 NH2 ARG A 16 -11.016 -21.269 6.569 1.00 20.12 N ATOM 0 H ARG A 16 -4.923 -20.659 10.056 1.00 32.11 H new ATOM 0 HA ARG A 16 -3.400 -18.928 8.316 1.00 31.42 H new ATOM 0 HB2 ARG A 16 -4.773 -19.743 6.668 1.00 34.22 H new ATOM 0 HB3 ARG A 16 -4.957 -21.036 7.837 1.00 34.22 H new ATOM 0 HG2 ARG A 16 -6.976 -19.494 8.691 1.00 64.25 H new ATOM 0 HG3 ARG A 16 -6.906 -18.897 7.045 1.00 64.25 H new ATOM 0 HD2 ARG A 16 -7.082 -21.242 6.199 1.00 0.31 H new ATOM 0 HD3 ARG A 16 -7.184 -21.822 7.850 1.00 0.31 H new ATOM 0 HE ARG A 16 -9.233 -19.968 7.716 1.00 21.34 H new ATOM 0 HH11 ARG A 16 -8.275 -22.776 5.805 1.00 74.43 H new ATOM 0 HH12 ARG A 16 -9.932 -23.163 5.330 1.00 74.43 H new ATOM 0 HH21 ARG A 16 -11.360 -20.472 7.105 1.00 20.12 H new ATOM 0 HH22 ARG A 16 -11.672 -21.864 6.063 1.00 20.12 H new ATOM 258 N TRP A 17 -5.903 -17.786 10.021 1.00 72.54 N ATOM 259 CA TRP A 17 -6.655 -16.586 10.369 1.00 43.23 C ATOM 260 C TRP A 17 -5.725 -15.490 10.879 1.00 62.43 C ATOM 261 O TRP A 17 -5.566 -14.450 10.239 1.00 24.45 O ATOM 262 CB TRP A 17 -7.711 -16.909 11.427 1.00 63.11 C ATOM 263 CG TRP A 17 -8.242 -15.695 12.126 1.00 53.51 C ATOM 264 CD1 TRP A 17 -9.185 -14.825 11.656 1.00 44.04 C ATOM 265 CD2 TRP A 17 -7.861 -15.215 13.420 1.00 41.32 C ATOM 266 NE1 TRP A 17 -9.412 -13.833 12.579 1.00 22.33 N ATOM 267 CE2 TRP A 17 -8.613 -14.050 13.671 1.00 61.24 C ATOM 268 CE3 TRP A 17 -6.959 -15.656 14.392 1.00 71.33 C ATOM 269 CZ2 TRP A 17 -8.488 -13.324 14.852 1.00 41.12 C ATOM 270 CZ3 TRP A 17 -6.836 -14.934 15.563 1.00 30.13 C ATOM 271 CH2 TRP A 17 -7.597 -13.779 15.786 1.00 54.01 C ATOM 0 H TRP A 17 -6.030 -18.565 10.667 1.00 72.54 H new ATOM 0 HA TRP A 17 -7.152 -16.225 9.469 1.00 43.23 H new ATOM 0 HB2 TRP A 17 -8.538 -17.438 10.954 1.00 63.11 H new ATOM 0 HB3 TRP A 17 -7.280 -17.585 12.165 1.00 63.11 H new ATOM 0 HD1 TRP A 17 -9.679 -14.905 10.699 1.00 44.04 H new ATOM 0 HE1 TRP A 17 -10.069 -13.060 12.469 1.00 22.33 H new ATOM 0 HE3 TRP A 17 -6.368 -16.546 14.230 1.00 71.33 H new ATOM 0 HZ2 TRP A 17 -9.073 -12.433 15.025 1.00 41.12 H new ATOM 0 HZ3 TRP A 17 -6.141 -15.266 16.320 1.00 30.13 H new ATOM 0 HH2 TRP A 17 -7.478 -13.237 16.713 1.00 54.01 H new ATOM 282 N VAL A 18 -5.112 -15.730 12.034 1.00 71.33 N ATOM 283 CA VAL A 18 -4.197 -14.764 12.629 1.00 65.14 C ATOM 284 C VAL A 18 -3.147 -14.309 11.621 1.00 53.53 C ATOM 285 O VAL A 18 -2.799 -13.129 11.561 1.00 5.43 O ATOM 286 CB VAL A 18 -3.486 -15.350 13.863 1.00 31.41 C ATOM 287 CG1 VAL A 18 -3.156 -16.819 13.642 1.00 10.32 C ATOM 288 CG2 VAL A 18 -2.229 -14.555 14.182 1.00 52.13 C ATOM 0 H VAL A 18 -5.233 -16.586 12.576 1.00 71.33 H new ATOM 0 HA VAL A 18 -4.797 -13.908 12.937 1.00 65.14 H new ATOM 0 HB VAL A 18 -4.160 -15.278 14.717 1.00 31.41 H new ATOM 0 HG11 VAL A 18 -2.654 -17.216 14.524 1.00 10.32 H new ATOM 0 HG12 VAL A 18 -4.076 -17.376 13.467 1.00 10.32 H new ATOM 0 HG13 VAL A 18 -2.501 -16.919 12.776 1.00 10.32 H new ATOM 0 HG21 VAL A 18 -1.740 -14.983 15.057 1.00 52.13 H new ATOM 0 HG22 VAL A 18 -1.549 -14.593 13.331 1.00 52.13 H new ATOM 0 HG23 VAL A 18 -2.496 -13.518 14.387 1.00 52.13 H new ATOM 298 N LEU A 19 -2.647 -15.251 10.829 1.00 54.31 N ATOM 299 CA LEU A 19 -1.637 -14.947 9.821 1.00 12.33 C ATOM 300 C LEU A 19 -2.202 -14.027 8.744 1.00 53.40 C ATOM 301 O LEU A 19 -1.456 -13.333 8.054 1.00 55.32 O ATOM 302 CB LEU A 19 -1.118 -16.237 9.185 1.00 35.40 C ATOM 303 CG LEU A 19 0.152 -16.825 9.800 1.00 62.32 C ATOM 304 CD1 LEU A 19 0.341 -18.268 9.357 1.00 44.21 C ATOM 305 CD2 LEU A 19 1.364 -15.986 9.423 1.00 65.33 C ATOM 0 H LEU A 19 -2.924 -16.232 10.865 1.00 54.31 H new ATOM 0 HA LEU A 19 -0.811 -14.434 10.314 1.00 12.33 H new ATOM 0 HB2 LEU A 19 -1.906 -16.988 9.240 1.00 35.40 H new ATOM 0 HB3 LEU A 19 -0.932 -16.048 8.128 1.00 35.40 H new ATOM 0 HG LEU A 19 0.048 -16.811 10.885 1.00 62.32 H new ATOM 0 HD11 LEU A 19 1.250 -18.670 9.805 1.00 44.21 H new ATOM 0 HD12 LEU A 19 -0.515 -18.862 9.678 1.00 44.21 H new ATOM 0 HD13 LEU A 19 0.423 -18.307 8.271 1.00 44.21 H new ATOM 0 HD21 LEU A 19 2.259 -16.419 9.869 1.00 65.33 H new ATOM 0 HD22 LEU A 19 1.471 -15.968 8.338 1.00 65.33 H new ATOM 0 HD23 LEU A 19 1.231 -14.969 9.791 1.00 65.33 H new ATOM 317 N GLU A 20 -3.525 -14.025 8.608 1.00 63.51 N ATOM 318 CA GLU A 20 -4.189 -13.189 7.615 1.00 31.12 C ATOM 319 C GLU A 20 -4.367 -11.765 8.135 1.00 72.42 C ATOM 320 O GLU A 20 -3.816 -10.816 7.577 1.00 75.22 O ATOM 321 CB GLU A 20 -5.550 -13.782 7.244 1.00 21.34 C ATOM 322 CG GLU A 20 -5.788 -13.871 5.746 1.00 5.23 C ATOM 323 CD GLU A 20 -6.550 -12.677 5.205 1.00 34.32 C ATOM 324 OE1 GLU A 20 -6.167 -11.533 5.528 1.00 73.22 O ATOM 325 OE2 GLU A 20 -7.530 -12.887 4.460 1.00 51.21 O ATOM 0 H GLU A 20 -4.157 -14.593 9.173 1.00 63.51 H new ATOM 0 HA GLU A 20 -3.560 -13.157 6.725 1.00 31.12 H new ATOM 0 HB2 GLU A 20 -5.632 -14.779 7.676 1.00 21.34 H new ATOM 0 HB3 GLU A 20 -6.336 -13.174 7.693 1.00 21.34 H new ATOM 0 HG2 GLU A 20 -4.829 -13.948 5.233 1.00 5.23 H new ATOM 0 HG3 GLU A 20 -6.343 -14.783 5.523 1.00 5.23 H new ATOM 332 N ARG A 21 -5.141 -11.625 9.206 1.00 22.34 N ATOM 333 CA ARG A 21 -5.394 -10.318 9.801 1.00 65.23 C ATOM 334 C ARG A 21 -4.086 -9.641 10.200 1.00 10.24 C ATOM 335 O ARG A 21 -4.026 -8.420 10.341 1.00 42.31 O ATOM 336 CB ARG A 21 -6.303 -10.457 11.023 1.00 22.30 C ATOM 337 CG ARG A 21 -5.781 -11.436 12.062 1.00 3.02 C ATOM 338 CD ARG A 21 -6.290 -11.095 13.454 1.00 42.10 C ATOM 339 NE ARG A 21 -5.648 -9.899 13.994 1.00 62.32 N ATOM 340 CZ ARG A 21 -6.062 -9.274 15.090 1.00 20.44 C ATOM 341 NH1 ARG A 21 -7.112 -9.730 15.760 1.00 4.35 N ATOM 342 NH2 ARG A 21 -5.425 -8.192 15.519 1.00 34.02 N ATOM 0 H ARG A 21 -5.604 -12.401 9.680 1.00 22.34 H new ATOM 0 HA ARG A 21 -5.892 -9.697 9.056 1.00 65.23 H new ATOM 0 HB2 ARG A 21 -6.426 -9.478 11.487 1.00 22.30 H new ATOM 0 HB3 ARG A 21 -7.291 -10.780 10.695 1.00 22.30 H new ATOM 0 HG2 ARG A 21 -6.090 -12.447 11.798 1.00 3.02 H new ATOM 0 HG3 ARG A 21 -4.691 -11.425 12.059 1.00 3.02 H new ATOM 0 HD2 ARG A 21 -7.369 -10.943 13.418 1.00 42.10 H new ATOM 0 HD3 ARG A 21 -6.109 -11.937 14.122 1.00 42.10 H new ATOM 0 HE ARG A 21 -4.837 -9.523 13.502 1.00 62.32 H new ATOM 0 HH11 ARG A 21 -7.603 -10.562 15.434 1.00 4.35 H new ATOM 0 HH12 ARG A 21 -7.428 -9.248 16.602 1.00 4.35 H new ATOM 0 HH21 ARG A 21 -4.616 -7.840 15.007 1.00 34.02 H new ATOM 0 HH22 ARG A 21 -5.744 -7.713 16.361 1.00 34.02 H new ATOM 356 N ALA A 22 -3.042 -10.442 10.382 1.00 22.44 N ATOM 357 CA ALA A 22 -1.735 -9.921 10.764 1.00 15.54 C ATOM 358 C ALA A 22 -1.309 -8.781 9.845 1.00 15.11 C ATOM 359 O ALA A 22 -1.095 -7.654 10.294 1.00 31.13 O ATOM 360 CB ALA A 22 -0.697 -11.032 10.746 1.00 60.30 C ATOM 0 H ALA A 22 -3.076 -11.455 10.271 1.00 22.44 H new ATOM 0 HA ALA A 22 -1.811 -9.527 11.778 1.00 15.54 H new ATOM 0 HB1 ALA A 22 0.274 -10.628 11.033 1.00 60.30 H new ATOM 0 HB2 ALA A 22 -0.987 -11.813 11.449 1.00 60.30 H new ATOM 0 HB3 ALA A 22 -0.632 -11.453 9.743 1.00 60.30 H new ATOM 366 N LEU A 23 -1.188 -9.080 8.557 1.00 64.53 N ATOM 367 CA LEU A 23 -0.786 -8.080 7.573 1.00 32.53 C ATOM 368 C LEU A 23 -1.990 -7.279 7.089 1.00 10.55 C ATOM 369 O LEU A 23 -1.849 -6.147 6.626 1.00 31.15 O ATOM 370 CB LEU A 23 -0.096 -8.753 6.385 1.00 33.22 C ATOM 371 CG LEU A 23 0.850 -9.906 6.723 1.00 12.11 C ATOM 372 CD1 LEU A 23 1.673 -10.296 5.505 1.00 53.31 C ATOM 373 CD2 LEU A 23 1.758 -9.528 7.884 1.00 43.52 C ATOM 0 H LEU A 23 -1.362 -10.007 8.169 1.00 64.53 H new ATOM 0 HA LEU A 23 -0.086 -7.396 8.052 1.00 32.53 H new ATOM 0 HB2 LEU A 23 -0.864 -9.127 5.708 1.00 33.22 H new ATOM 0 HB3 LEU A 23 0.467 -7.995 5.841 1.00 33.22 H new ATOM 0 HG LEU A 23 0.251 -10.766 7.022 1.00 12.11 H new ATOM 0 HD11 LEU A 23 2.340 -11.118 5.765 1.00 53.31 H new ATOM 0 HD12 LEU A 23 1.007 -10.609 4.701 1.00 53.31 H new ATOM 0 HD13 LEU A 23 2.262 -9.441 5.175 1.00 53.31 H new ATOM 0 HD21 LEU A 23 2.424 -10.360 8.111 1.00 43.52 H new ATOM 0 HD22 LEU A 23 2.349 -8.653 7.614 1.00 43.52 H new ATOM 0 HD23 LEU A 23 1.152 -9.299 8.761 1.00 43.52 H new ATOM 385 N ALA A 24 -3.174 -7.872 7.202 1.00 2.11 N ATOM 386 CA ALA A 24 -4.403 -7.211 6.780 1.00 22.33 C ATOM 387 C ALA A 24 -4.556 -5.853 7.456 1.00 22.04 C ATOM 388 O ALA A 24 -5.078 -4.910 6.865 1.00 54.54 O ATOM 389 CB ALA A 24 -5.606 -8.092 7.083 1.00 70.13 C ATOM 0 H ALA A 24 -3.308 -8.809 7.582 1.00 2.11 H new ATOM 0 HA ALA A 24 -4.348 -7.047 5.704 1.00 22.33 H new ATOM 0 HB1 ALA A 24 -6.517 -7.586 6.763 1.00 70.13 H new ATOM 0 HB2 ALA A 24 -5.509 -9.037 6.549 1.00 70.13 H new ATOM 0 HB3 ALA A 24 -5.655 -8.284 8.155 1.00 70.13 H new ATOM 395 N GLY A 25 -4.097 -5.761 8.701 1.00 63.31 N ATOM 396 CA GLY A 25 -4.193 -4.514 9.437 1.00 21.30 C ATOM 397 C GLY A 25 -3.021 -3.591 9.170 1.00 65.41 C ATOM 398 O GLY A 25 -2.986 -2.463 9.660 1.00 71.02 O ATOM 0 H GLY A 25 -3.661 -6.528 9.213 1.00 63.31 H new ATOM 0 HA2 GLY A 25 -5.119 -4.007 9.167 1.00 21.30 H new ATOM 0 HA3 GLY A 25 -4.246 -4.729 10.504 1.00 21.30 H new ATOM 402 N ALA A 26 -2.056 -4.072 8.392 1.00 73.11 N ATOM 403 CA ALA A 26 -0.877 -3.282 8.060 1.00 20.24 C ATOM 404 C ALA A 26 -1.028 -2.616 6.697 1.00 1.11 C ATOM 405 O ALA A 26 -1.291 -1.417 6.607 1.00 62.53 O ATOM 406 CB ALA A 26 0.368 -4.156 8.088 1.00 3.10 C ATOM 0 H ALA A 26 -2.068 -5.005 7.980 1.00 73.11 H new ATOM 0 HA ALA A 26 -0.773 -2.497 8.809 1.00 20.24 H new ATOM 0 HB1 ALA A 26 1.241 -3.553 7.838 1.00 3.10 H new ATOM 0 HB2 ALA A 26 0.493 -4.580 9.084 1.00 3.10 H new ATOM 0 HB3 ALA A 26 0.263 -4.962 7.361 1.00 3.10 H new ATOM 412 N GLY A 27 -0.859 -3.401 5.638 1.00 70.35 N ATOM 413 CA GLY A 27 -0.980 -2.869 4.293 1.00 44.01 C ATOM 414 C GLY A 27 -0.321 -3.757 3.256 1.00 22.54 C ATOM 415 O GLY A 27 0.284 -3.267 2.302 1.00 61.43 O ATOM 0 H GLY A 27 -0.640 -4.396 5.687 1.00 70.35 H new ATOM 0 HA2 GLY A 27 -2.035 -2.749 4.047 1.00 44.01 H new ATOM 0 HA3 GLY A 27 -0.530 -1.877 4.256 1.00 44.01 H new ATOM 419 N LEU A 28 -0.436 -5.068 3.444 1.00 42.44 N ATOM 420 CA LEU A 28 0.155 -6.028 2.518 1.00 41.43 C ATOM 421 C LEU A 28 -0.781 -7.210 2.289 1.00 64.14 C ATOM 422 O LEU A 28 -1.396 -7.720 3.226 1.00 70.14 O ATOM 423 CB LEU A 28 1.499 -6.523 3.054 1.00 3.34 C ATOM 424 CG LEU A 28 2.181 -5.625 4.087 1.00 23.15 C ATOM 425 CD1 LEU A 28 3.305 -6.374 4.786 1.00 5.01 C ATOM 426 CD2 LEU A 28 2.710 -4.360 3.428 1.00 0.53 C ATOM 0 H LEU A 28 -0.933 -5.490 4.229 1.00 42.44 H new ATOM 0 HA LEU A 28 0.315 -5.525 1.564 1.00 41.43 H new ATOM 0 HB2 LEU A 28 1.350 -7.507 3.499 1.00 3.34 H new ATOM 0 HB3 LEU A 28 2.178 -6.654 2.211 1.00 3.34 H new ATOM 0 HG LEU A 28 1.442 -5.339 4.835 1.00 23.15 H new ATOM 0 HD11 LEU A 28 3.779 -5.719 5.517 1.00 5.01 H new ATOM 0 HD12 LEU A 28 2.899 -7.250 5.292 1.00 5.01 H new ATOM 0 HD13 LEU A 28 4.044 -6.691 4.050 1.00 5.01 H new ATOM 0 HD21 LEU A 28 3.192 -3.733 4.178 1.00 0.53 H new ATOM 0 HD22 LEU A 28 3.434 -4.626 2.658 1.00 0.53 H new ATOM 0 HD23 LEU A 28 1.883 -3.813 2.975 1.00 0.53 H new ATOM 438 N THR A 29 -0.882 -7.644 1.036 1.00 32.01 N ATOM 439 CA THR A 29 -1.742 -8.767 0.684 1.00 65.15 C ATOM 440 C THR A 29 -1.443 -9.982 1.554 1.00 63.42 C ATOM 441 O THR A 29 -0.363 -10.091 2.136 1.00 45.35 O ATOM 442 CB THR A 29 -1.577 -9.157 -0.797 1.00 63.44 C ATOM 443 OG1 THR A 29 -1.566 -7.982 -1.615 1.00 63.24 O ATOM 444 CG2 THR A 29 -2.701 -10.080 -1.242 1.00 71.51 C ATOM 0 H THR A 29 -0.379 -7.235 0.249 1.00 32.01 H new ATOM 0 HA THR A 29 -2.769 -8.445 0.855 1.00 65.15 H new ATOM 0 HB THR A 29 -0.630 -9.685 -0.907 1.00 63.44 H new ATOM 0 HG1 THR A 29 -1.779 -8.225 -2.540 1.00 63.24 H new ATOM 0 HG21 THR A 29 -2.563 -10.342 -2.291 1.00 71.51 H new ATOM 0 HG22 THR A 29 -2.688 -10.987 -0.637 1.00 71.51 H new ATOM 0 HG23 THR A 29 -3.658 -9.574 -1.117 1.00 71.51 H new ATOM 452 N CYS A 30 -2.405 -10.894 1.638 1.00 23.44 N ATOM 453 CA CYS A 30 -2.244 -12.103 2.439 1.00 71.33 C ATOM 454 C CYS A 30 -3.056 -13.254 1.854 1.00 62.42 C ATOM 455 O CYS A 30 -4.269 -13.337 2.051 1.00 43.14 O ATOM 456 CB CYS A 30 -2.672 -11.844 3.884 1.00 53.12 C ATOM 457 SG CYS A 30 -1.447 -12.340 5.117 1.00 21.12 S ATOM 0 H CYS A 30 -3.304 -10.820 1.162 1.00 23.44 H new ATOM 0 HA CYS A 30 -1.190 -12.381 2.425 1.00 71.33 H new ATOM 0 HB2 CYS A 30 -2.883 -10.781 4.004 1.00 53.12 H new ATOM 0 HB3 CYS A 30 -3.603 -12.378 4.077 1.00 53.12 H new ATOM 0 HG CYS A 30 -1.801 -11.891 6.285 1.00 21.12 H new ATOM 463 N THR A 31 -2.379 -14.142 1.131 1.00 31.04 N ATOM 464 CA THR A 31 -3.037 -15.287 0.515 1.00 52.10 C ATOM 465 C THR A 31 -2.879 -16.538 1.371 1.00 73.40 C ATOM 466 O THR A 31 -1.772 -17.050 1.544 1.00 15.24 O ATOM 467 CB THR A 31 -2.476 -15.567 -0.892 1.00 31.00 C ATOM 468 OG1 THR A 31 -2.345 -14.341 -1.620 1.00 4.01 O ATOM 469 CG2 THR A 31 -3.382 -16.521 -1.656 1.00 23.55 C ATOM 0 H THR A 31 -1.375 -14.089 0.958 1.00 31.04 H new ATOM 0 HA THR A 31 -4.095 -15.037 0.433 1.00 52.10 H new ATOM 0 HB THR A 31 -1.496 -16.031 -0.782 1.00 31.00 H new ATOM 0 HG1 THR A 31 -1.412 -14.042 -1.592 1.00 4.01 H new ATOM 0 HG21 THR A 31 -2.965 -16.704 -2.647 1.00 23.55 H new ATOM 0 HG22 THR A 31 -3.457 -17.464 -1.114 1.00 23.55 H new ATOM 0 HG23 THR A 31 -4.374 -16.080 -1.755 1.00 23.55 H new ATOM 477 N THR A 32 -3.994 -17.029 1.905 1.00 63.11 N ATOM 478 CA THR A 32 -3.979 -18.221 2.744 1.00 41.05 C ATOM 479 C THR A 32 -4.445 -19.446 1.966 1.00 73.32 C ATOM 480 O THR A 32 -5.511 -19.434 1.350 1.00 73.22 O ATOM 481 CB THR A 32 -4.872 -18.045 3.986 1.00 52.21 C ATOM 482 OG1 THR A 32 -6.252 -18.145 3.616 1.00 42.04 O ATOM 483 CG2 THR A 32 -4.617 -16.700 4.650 1.00 25.30 C ATOM 0 H THR A 32 -4.918 -16.619 1.771 1.00 63.11 H new ATOM 0 HA THR A 32 -2.948 -18.369 3.065 1.00 41.05 H new ATOM 0 HB THR A 32 -4.628 -18.835 4.696 1.00 52.21 H new ATOM 0 HG1 THR A 32 -6.322 -18.505 2.707 1.00 42.04 H new ATOM 0 HG21 THR A 32 -5.259 -16.599 5.525 1.00 25.30 H new ATOM 0 HG22 THR A 32 -3.573 -16.638 4.957 1.00 25.30 H new ATOM 0 HG23 THR A 32 -4.836 -15.899 3.944 1.00 25.30 H new ATOM 491 N PHE A 33 -3.641 -20.504 1.999 1.00 51.33 N ATOM 492 CA PHE A 33 -3.972 -21.738 1.296 1.00 0.11 C ATOM 493 C PHE A 33 -4.260 -22.865 2.283 1.00 23.34 C ATOM 494 O PHE A 33 -4.342 -22.641 3.490 1.00 3.34 O ATOM 495 CB PHE A 33 -2.828 -22.141 0.363 1.00 30.24 C ATOM 496 CG PHE A 33 -2.587 -21.160 -0.748 1.00 63.31 C ATOM 497 CD1 PHE A 33 -1.780 -20.052 -0.549 1.00 0.44 C ATOM 498 CD2 PHE A 33 -3.167 -21.347 -1.992 1.00 51.44 C ATOM 499 CE1 PHE A 33 -1.556 -19.147 -1.569 1.00 65.24 C ATOM 500 CE2 PHE A 33 -2.946 -20.446 -3.017 1.00 41.11 C ATOM 501 CZ PHE A 33 -2.140 -19.344 -2.805 1.00 32.20 C ATOM 0 H PHE A 33 -2.756 -20.531 2.505 1.00 51.33 H new ATOM 0 HA PHE A 33 -4.869 -21.560 0.703 1.00 0.11 H new ATOM 0 HB2 PHE A 33 -1.914 -22.248 0.947 1.00 30.24 H new ATOM 0 HB3 PHE A 33 -3.048 -23.118 -0.067 1.00 30.24 H new ATOM 0 HD1 PHE A 33 -1.320 -19.893 0.415 1.00 0.44 H new ATOM 0 HD2 PHE A 33 -3.799 -22.206 -2.163 1.00 51.44 H new ATOM 0 HE1 PHE A 33 -0.925 -18.287 -1.400 1.00 65.24 H new ATOM 0 HE2 PHE A 33 -3.403 -20.603 -3.983 1.00 41.11 H new ATOM 0 HZ PHE A 33 -1.967 -18.638 -3.604 1.00 32.20 H new ATOM 511 N GLU A 34 -4.413 -24.078 1.760 1.00 44.31 N ATOM 512 CA GLU A 34 -4.693 -25.240 2.595 1.00 43.21 C ATOM 513 C GLU A 34 -4.381 -26.534 1.849 1.00 43.12 C ATOM 514 O GLU A 34 -5.283 -27.291 1.494 1.00 30.12 O ATOM 515 CB GLU A 34 -6.157 -25.235 3.040 1.00 42.03 C ATOM 516 CG GLU A 34 -7.132 -24.919 1.919 1.00 55.14 C ATOM 517 CD GLU A 34 -7.388 -23.432 1.770 1.00 53.31 C ATOM 518 OE1 GLU A 34 -7.824 -22.804 2.758 1.00 53.35 O ATOM 519 OE2 GLU A 34 -7.153 -22.896 0.667 1.00 71.12 O ATOM 0 H GLU A 34 -4.348 -24.281 0.763 1.00 44.31 H new ATOM 0 HA GLU A 34 -4.053 -25.185 3.476 1.00 43.21 H new ATOM 0 HB2 GLU A 34 -6.404 -26.210 3.461 1.00 42.03 H new ATOM 0 HB3 GLU A 34 -6.283 -24.503 3.837 1.00 42.03 H new ATOM 0 HG2 GLU A 34 -6.741 -25.312 0.981 1.00 55.14 H new ATOM 0 HG3 GLU A 34 -8.076 -25.429 2.109 1.00 55.14 H new ATOM 526 N ASN A 35 -3.096 -26.779 1.614 1.00 62.41 N ATOM 527 CA ASN A 35 -2.664 -27.981 0.909 1.00 43.10 C ATOM 528 C ASN A 35 -1.145 -28.014 0.772 1.00 64.41 C ATOM 529 O ASN A 35 -0.532 -29.081 0.799 1.00 3.35 O ATOM 530 CB ASN A 35 -3.313 -28.047 -0.475 1.00 15.04 C ATOM 531 CG ASN A 35 -4.252 -29.229 -0.617 1.00 34.35 C ATOM 532 OD1 ASN A 35 -4.808 -29.717 0.368 1.00 11.41 O ATOM 533 ND2 ASN A 35 -4.433 -29.697 -1.846 1.00 54.33 N ATOM 0 H ASN A 35 -2.336 -26.162 1.901 1.00 62.41 H new ATOM 0 HA ASN A 35 -2.978 -28.847 1.492 1.00 43.10 H new ATOM 0 HB2 ASN A 35 -3.864 -27.125 -0.659 1.00 15.04 H new ATOM 0 HB3 ASN A 35 -2.535 -28.111 -1.236 1.00 15.04 H new ATOM 0 HD21 ASN A 35 -5.053 -30.492 -2.003 1.00 54.33 H new ATOM 0 HD22 ASN A 35 -3.952 -29.262 -2.633 1.00 54.33 H new ATOM 540 N GLY A 36 -0.543 -26.838 0.624 1.00 2.14 N ATOM 541 CA GLY A 36 0.899 -26.754 0.486 1.00 63.53 C ATOM 542 C GLY A 36 1.343 -26.744 -0.964 1.00 32.32 C ATOM 543 O GLY A 36 1.925 -25.769 -1.435 1.00 5.45 O ATOM 0 H GLY A 36 -1.029 -25.941 0.597 1.00 2.14 H new ATOM 0 HA2 GLY A 36 1.256 -25.849 0.978 1.00 63.53 H new ATOM 0 HA3 GLY A 36 1.360 -27.599 0.998 1.00 63.53 H new ATOM 547 N ASN A 37 1.068 -27.834 -1.673 1.00 34.32 N ATOM 548 CA ASN A 37 1.444 -27.948 -3.077 1.00 44.11 C ATOM 549 C ASN A 37 0.583 -27.037 -3.947 1.00 31.42 C ATOM 550 O ASN A 37 0.954 -26.705 -5.072 1.00 61.40 O ATOM 551 CB ASN A 37 1.310 -29.398 -3.547 1.00 53.32 C ATOM 552 CG ASN A 37 1.735 -29.579 -4.991 1.00 62.14 C ATOM 553 OD1 ASN A 37 0.930 -29.949 -5.846 1.00 33.44 O ATOM 554 ND2 ASN A 37 3.007 -29.319 -5.271 1.00 1.55 N ATOM 0 H ASN A 37 0.586 -28.651 -1.298 1.00 34.32 H new ATOM 0 HA ASN A 37 2.484 -27.637 -3.175 1.00 44.11 H new ATOM 0 HB2 ASN A 37 1.916 -30.041 -2.909 1.00 53.32 H new ATOM 0 HB3 ASN A 37 0.275 -29.720 -3.433 1.00 53.32 H new ATOM 0 HD21 ASN A 37 3.351 -29.424 -6.226 1.00 1.55 H new ATOM 0 HD22 ASN A 37 3.640 -29.015 -4.531 1.00 1.55 H new ATOM 561 N GLU A 38 -0.568 -26.637 -3.416 1.00 75.42 N ATOM 562 CA GLU A 38 -1.482 -25.765 -4.145 1.00 34.43 C ATOM 563 C GLU A 38 -0.920 -24.350 -4.246 1.00 20.53 C ATOM 564 O GLU A 38 -1.376 -23.546 -5.058 1.00 40.41 O ATOM 565 CB GLU A 38 -2.849 -25.735 -3.458 1.00 55.21 C ATOM 566 CG GLU A 38 -4.014 -25.939 -4.412 1.00 34.00 C ATOM 567 CD GLU A 38 -4.210 -27.394 -4.791 1.00 21.21 C ATOM 568 OE1 GLU A 38 -3.203 -28.131 -4.853 1.00 12.15 O ATOM 569 OE2 GLU A 38 -5.368 -27.796 -5.026 1.00 35.20 O ATOM 0 H GLU A 38 -0.890 -26.902 -2.485 1.00 75.42 H new ATOM 0 HA GLU A 38 -1.598 -26.164 -5.153 1.00 34.43 H new ATOM 0 HB2 GLU A 38 -2.878 -26.509 -2.691 1.00 55.21 H new ATOM 0 HB3 GLU A 38 -2.970 -24.778 -2.950 1.00 55.21 H new ATOM 0 HG2 GLU A 38 -4.927 -25.561 -3.951 1.00 34.00 H new ATOM 0 HG3 GLU A 38 -3.847 -25.352 -5.315 1.00 34.00 H new ATOM 576 N VAL A 39 0.074 -24.054 -3.414 1.00 34.11 N ATOM 577 CA VAL A 39 0.699 -22.737 -3.409 1.00 25.30 C ATOM 578 C VAL A 39 1.876 -22.684 -4.377 1.00 70.31 C ATOM 579 O VAL A 39 2.135 -21.655 -5.002 1.00 14.54 O ATOM 580 CB VAL A 39 1.191 -22.355 -2.000 1.00 55.52 C ATOM 581 CG1 VAL A 39 1.485 -20.864 -1.924 1.00 22.22 C ATOM 582 CG2 VAL A 39 0.165 -22.758 -0.951 1.00 64.12 C ATOM 0 H VAL A 39 0.463 -24.708 -2.735 1.00 34.11 H new ATOM 0 HA VAL A 39 -0.062 -22.024 -3.726 1.00 25.30 H new ATOM 0 HB VAL A 39 2.116 -22.895 -1.797 1.00 55.52 H new ATOM 0 HG11 VAL A 39 1.831 -20.612 -0.922 1.00 22.22 H new ATOM 0 HG12 VAL A 39 2.257 -20.608 -2.650 1.00 22.22 H new ATOM 0 HG13 VAL A 39 0.578 -20.302 -2.146 1.00 22.22 H new ATOM 0 HG21 VAL A 39 0.528 -22.481 0.039 1.00 64.12 H new ATOM 0 HG22 VAL A 39 -0.777 -22.246 -1.148 1.00 64.12 H new ATOM 0 HG23 VAL A 39 0.008 -23.836 -0.991 1.00 64.12 H new ATOM 592 N LEU A 40 2.586 -23.800 -4.498 1.00 21.41 N ATOM 593 CA LEU A 40 3.736 -23.882 -5.391 1.00 64.54 C ATOM 594 C LEU A 40 3.378 -23.383 -6.787 1.00 63.04 C ATOM 595 O LEU A 40 4.151 -22.660 -7.416 1.00 14.33 O ATOM 596 CB LEU A 40 4.246 -25.323 -5.468 1.00 1.33 C ATOM 597 CG LEU A 40 4.903 -25.733 -6.786 1.00 72.31 C ATOM 598 CD1 LEU A 40 6.064 -24.808 -7.115 1.00 24.44 C ATOM 599 CD2 LEU A 40 5.372 -27.179 -6.721 1.00 22.45 C ATOM 0 H LEU A 40 2.385 -24.661 -3.989 1.00 21.41 H new ATOM 0 HA LEU A 40 4.523 -23.245 -4.988 1.00 64.54 H new ATOM 0 HB2 LEU A 40 4.965 -25.476 -4.664 1.00 1.33 H new ATOM 0 HB3 LEU A 40 3.408 -25.994 -5.278 1.00 1.33 H new ATOM 0 HG LEU A 40 4.162 -25.648 -7.581 1.00 72.31 H new ATOM 0 HD11 LEU A 40 6.519 -25.116 -8.057 1.00 24.44 H new ATOM 0 HD12 LEU A 40 5.700 -23.785 -7.205 1.00 24.44 H new ATOM 0 HD13 LEU A 40 6.807 -24.859 -6.319 1.00 24.44 H new ATOM 0 HD21 LEU A 40 5.837 -27.454 -7.668 1.00 22.45 H new ATOM 0 HD22 LEU A 40 6.097 -27.290 -5.915 1.00 22.45 H new ATOM 0 HD23 LEU A 40 4.518 -27.830 -6.534 1.00 22.45 H new ATOM 611 N ALA A 41 2.201 -23.773 -7.266 1.00 1.54 N ATOM 612 CA ALA A 41 1.739 -23.361 -8.585 1.00 54.03 C ATOM 613 C ALA A 41 1.321 -21.894 -8.588 1.00 20.41 C ATOM 614 O ALA A 41 1.388 -21.222 -9.616 1.00 62.04 O ATOM 615 CB ALA A 41 0.583 -24.242 -9.038 1.00 3.51 C ATOM 0 H ALA A 41 1.550 -24.374 -6.760 1.00 1.54 H new ATOM 0 HA ALA A 41 2.567 -23.477 -9.285 1.00 54.03 H new ATOM 0 HB1 ALA A 41 0.248 -23.923 -10.025 1.00 3.51 H new ATOM 0 HB2 ALA A 41 0.913 -25.280 -9.085 1.00 3.51 H new ATOM 0 HB3 ALA A 41 -0.240 -24.155 -8.329 1.00 3.51 H new ATOM 621 N ALA A 42 0.889 -21.405 -7.430 1.00 42.23 N ATOM 622 CA ALA A 42 0.462 -20.017 -7.299 1.00 71.44 C ATOM 623 C ALA A 42 1.607 -19.059 -7.609 1.00 52.12 C ATOM 624 O ALA A 42 1.393 -17.977 -8.158 1.00 1.23 O ATOM 625 CB ALA A 42 -0.079 -19.762 -5.901 1.00 14.44 C ATOM 0 H ALA A 42 0.825 -21.949 -6.570 1.00 42.23 H new ATOM 0 HA ALA A 42 -0.333 -19.837 -8.023 1.00 71.44 H new ATOM 0 HB1 ALA A 42 -0.394 -18.722 -5.817 1.00 14.44 H new ATOM 0 HB2 ALA A 42 -0.931 -20.416 -5.716 1.00 14.44 H new ATOM 0 HB3 ALA A 42 0.700 -19.965 -5.167 1.00 14.44 H new ATOM 631 N LEU A 43 2.822 -19.462 -7.254 1.00 52.31 N ATOM 632 CA LEU A 43 4.002 -18.638 -7.494 1.00 15.32 C ATOM 633 C LEU A 43 4.153 -18.322 -8.978 1.00 61.45 C ATOM 634 O LEU A 43 4.544 -17.217 -9.352 1.00 14.34 O ATOM 635 CB LEU A 43 5.256 -19.347 -6.981 1.00 0.13 C ATOM 636 CG LEU A 43 5.109 -20.095 -5.655 1.00 64.02 C ATOM 637 CD1 LEU A 43 6.476 -20.437 -5.081 1.00 54.51 C ATOM 638 CD2 LEU A 43 4.303 -19.269 -4.663 1.00 61.52 C ATOM 0 H LEU A 43 3.016 -20.354 -6.799 1.00 52.31 H new ATOM 0 HA LEU A 43 3.876 -17.700 -6.953 1.00 15.32 H new ATOM 0 HB2 LEU A 43 5.585 -20.056 -7.741 1.00 0.13 H new ATOM 0 HB3 LEU A 43 6.049 -18.607 -6.872 1.00 0.13 H new ATOM 0 HG LEU A 43 4.573 -21.025 -5.842 1.00 64.02 H new ATOM 0 HD11 LEU A 43 6.352 -20.969 -4.138 1.00 54.51 H new ATOM 0 HD12 LEU A 43 7.019 -21.068 -5.785 1.00 54.51 H new ATOM 0 HD13 LEU A 43 7.038 -19.519 -4.909 1.00 54.51 H new ATOM 0 HD21 LEU A 43 4.209 -19.817 -3.725 1.00 61.52 H new ATOM 0 HD22 LEU A 43 4.811 -18.322 -4.480 1.00 61.52 H new ATOM 0 HD23 LEU A 43 3.311 -19.076 -5.072 1.00 61.52 H new ATOM 650 N ALA A 44 3.839 -19.301 -9.821 1.00 24.20 N ATOM 651 CA ALA A 44 3.937 -19.127 -11.265 1.00 15.32 C ATOM 652 C ALA A 44 2.926 -18.099 -11.763 1.00 32.31 C ATOM 653 O ALA A 44 2.977 -17.672 -12.916 1.00 64.23 O ATOM 654 CB ALA A 44 3.731 -20.458 -11.972 1.00 40.03 C ATOM 0 H ALA A 44 3.515 -20.223 -9.528 1.00 24.20 H new ATOM 0 HA ALA A 44 4.936 -18.757 -11.495 1.00 15.32 H new ATOM 0 HB1 ALA A 44 3.807 -20.313 -13.050 1.00 40.03 H new ATOM 0 HB2 ALA A 44 4.494 -21.165 -11.646 1.00 40.03 H new ATOM 0 HB3 ALA A 44 2.744 -20.851 -11.727 1.00 40.03 H new ATOM 660 N SER A 45 2.007 -17.707 -10.886 1.00 51.23 N ATOM 661 CA SER A 45 0.981 -16.732 -11.239 1.00 31.40 C ATOM 662 C SER A 45 1.547 -15.316 -11.218 1.00 40.20 C ATOM 663 O SER A 45 1.715 -14.686 -12.262 1.00 53.34 O ATOM 664 CB SER A 45 -0.203 -16.835 -10.275 1.00 63.11 C ATOM 665 OG SER A 45 -1.303 -16.070 -10.735 1.00 72.15 O ATOM 0 H SER A 45 1.952 -18.049 -9.927 1.00 51.23 H new ATOM 0 HA SER A 45 0.638 -16.952 -12.250 1.00 31.40 H new ATOM 0 HB2 SER A 45 -0.500 -17.878 -10.169 1.00 63.11 H new ATOM 0 HB3 SER A 45 0.098 -16.488 -9.286 1.00 63.11 H new ATOM 0 HG SER A 45 -2.047 -16.154 -10.103 1.00 72.15 H new ATOM 671 N LYS A 46 1.840 -14.820 -10.021 1.00 30.35 N ATOM 672 CA LYS A 46 2.389 -13.479 -9.860 1.00 55.13 C ATOM 673 C LYS A 46 3.708 -13.518 -9.096 1.00 62.44 C ATOM 674 O LYS A 46 4.437 -12.527 -9.042 1.00 54.12 O ATOM 675 CB LYS A 46 1.389 -12.581 -9.127 1.00 63.21 C ATOM 676 CG LYS A 46 0.775 -13.231 -7.899 1.00 43.31 C ATOM 677 CD LYS A 46 -0.373 -12.403 -7.346 1.00 21.42 C ATOM 678 CE LYS A 46 0.090 -11.015 -6.932 1.00 14.15 C ATOM 679 NZ LYS A 46 -0.152 -10.008 -8.001 1.00 53.52 N ATOM 0 H LYS A 46 1.706 -15.328 -9.147 1.00 30.35 H new ATOM 0 HA LYS A 46 2.577 -13.069 -10.852 1.00 55.13 H new ATOM 0 HB2 LYS A 46 1.891 -11.661 -8.828 1.00 63.21 H new ATOM 0 HB3 LYS A 46 0.592 -12.300 -9.816 1.00 63.21 H new ATOM 0 HG2 LYS A 46 0.416 -14.228 -8.155 1.00 43.31 H new ATOM 0 HG3 LYS A 46 1.539 -13.355 -7.131 1.00 43.31 H new ATOM 0 HD2 LYS A 46 -1.157 -12.317 -8.099 1.00 21.42 H new ATOM 0 HD3 LYS A 46 -0.810 -12.913 -6.488 1.00 21.42 H new ATOM 0 HE2 LYS A 46 -0.433 -10.714 -6.024 1.00 14.15 H new ATOM 0 HE3 LYS A 46 1.153 -11.043 -6.693 1.00 14.15 H new ATOM 0 HZ1 LYS A 46 0.672 -9.378 -8.077 1.00 53.52 H new ATOM 0 HZ2 LYS A 46 -0.301 -10.494 -8.908 1.00 53.52 H new ATOM 0 HZ3 LYS A 46 -0.996 -9.448 -7.766 1.00 53.52 H new ATOM 693 N THR A 47 4.012 -14.671 -8.508 1.00 31.13 N ATOM 694 CA THR A 47 5.244 -14.840 -7.747 1.00 52.25 C ATOM 695 C THR A 47 5.318 -13.847 -6.593 1.00 33.21 C ATOM 696 O THR A 47 5.584 -12.660 -6.780 1.00 10.34 O ATOM 697 CB THR A 47 6.485 -14.662 -8.642 1.00 70.43 C ATOM 698 OG1 THR A 47 6.088 -14.544 -10.013 1.00 72.10 O ATOM 699 CG2 THR A 47 7.438 -15.837 -8.485 1.00 21.52 C ATOM 0 H THR A 47 3.422 -15.502 -8.544 1.00 31.13 H new ATOM 0 HA THR A 47 5.233 -15.855 -7.349 1.00 52.25 H new ATOM 0 HB THR A 47 7.000 -13.752 -8.334 1.00 70.43 H new ATOM 0 HG1 THR A 47 6.883 -14.430 -10.575 1.00 72.10 H new ATOM 0 HG21 THR A 47 8.307 -15.689 -9.127 1.00 21.52 H new ATOM 0 HG22 THR A 47 7.762 -15.907 -7.446 1.00 21.52 H new ATOM 0 HG23 THR A 47 6.930 -16.758 -8.769 1.00 21.52 H new ATOM 707 N PRO A 48 5.077 -14.342 -5.370 1.00 25.13 N ATOM 708 CA PRO A 48 5.112 -13.515 -4.160 1.00 45.21 C ATOM 709 C PRO A 48 6.526 -13.064 -3.807 1.00 54.40 C ATOM 710 O PRO A 48 7.482 -13.370 -4.520 1.00 34.45 O ATOM 711 CB PRO A 48 4.562 -14.446 -3.077 1.00 63.31 C ATOM 712 CG PRO A 48 4.855 -15.820 -3.575 1.00 12.24 C ATOM 713 CD PRO A 48 4.754 -15.748 -5.073 1.00 52.31 C ATOM 0 HA PRO A 48 4.541 -12.594 -4.279 1.00 45.21 H new ATOM 0 HB2 PRO A 48 5.042 -14.262 -2.116 1.00 63.31 H new ATOM 0 HB3 PRO A 48 3.492 -14.297 -2.933 1.00 63.31 H new ATOM 0 HG2 PRO A 48 5.849 -16.143 -3.266 1.00 12.24 H new ATOM 0 HG3 PRO A 48 4.145 -16.541 -3.170 1.00 12.24 H new ATOM 0 HD2 PRO A 48 5.452 -16.431 -5.556 1.00 52.31 H new ATOM 0 HD3 PRO A 48 3.756 -16.013 -5.422 1.00 52.31 H new ATOM 721 N ASP A 49 6.650 -12.334 -2.704 1.00 24.44 N ATOM 722 CA ASP A 49 7.948 -11.842 -2.255 1.00 72.21 C ATOM 723 C ASP A 49 8.375 -12.534 -0.965 1.00 21.34 C ATOM 724 O ASP A 49 9.489 -12.334 -0.480 1.00 32.03 O ATOM 725 CB ASP A 49 7.898 -10.328 -2.044 1.00 75.20 C ATOM 726 CG ASP A 49 8.216 -9.556 -3.309 1.00 73.35 C ATOM 727 OD1 ASP A 49 7.735 -9.961 -4.389 1.00 30.52 O ATOM 728 OD2 ASP A 49 8.945 -8.547 -3.220 1.00 52.45 O ATOM 0 H ASP A 49 5.868 -12.070 -2.104 1.00 24.44 H new ATOM 0 HA ASP A 49 8.682 -12.069 -3.028 1.00 72.21 H new ATOM 0 HB2 ASP A 49 6.907 -10.046 -1.690 1.00 75.20 H new ATOM 0 HB3 ASP A 49 8.607 -10.049 -1.264 1.00 75.20 H new ATOM 733 N VAL A 50 7.482 -13.349 -0.412 1.00 53.11 N ATOM 734 CA VAL A 50 7.766 -14.071 0.822 1.00 12.14 C ATOM 735 C VAL A 50 6.604 -14.979 1.208 1.00 55.10 C ATOM 736 O VAL A 50 5.438 -14.598 1.090 1.00 21.11 O ATOM 737 CB VAL A 50 8.054 -13.103 1.985 1.00 2.21 C ATOM 738 CG1 VAL A 50 6.894 -12.138 2.177 1.00 43.32 C ATOM 739 CG2 VAL A 50 8.332 -13.876 3.265 1.00 23.12 C ATOM 0 H VAL A 50 6.555 -13.526 -0.800 1.00 53.11 H new ATOM 0 HA VAL A 50 8.652 -14.678 0.636 1.00 12.14 H new ATOM 0 HB VAL A 50 8.942 -12.521 1.739 1.00 2.21 H new ATOM 0 HG11 VAL A 50 7.116 -11.462 3.003 1.00 43.32 H new ATOM 0 HG12 VAL A 50 6.747 -11.560 1.265 1.00 43.32 H new ATOM 0 HG13 VAL A 50 5.987 -12.699 2.401 1.00 43.32 H new ATOM 0 HG21 VAL A 50 8.533 -13.176 4.076 1.00 23.12 H new ATOM 0 HG22 VAL A 50 7.464 -14.485 3.518 1.00 23.12 H new ATOM 0 HG23 VAL A 50 9.198 -14.522 3.119 1.00 23.12 H new ATOM 749 N LEU A 51 6.928 -16.182 1.670 1.00 53.43 N ATOM 750 CA LEU A 51 5.910 -17.146 2.074 1.00 3.31 C ATOM 751 C LEU A 51 6.109 -17.571 3.525 1.00 25.12 C ATOM 752 O LEU A 51 7.224 -17.531 4.048 1.00 41.31 O ATOM 753 CB LEU A 51 5.950 -18.372 1.161 1.00 63.30 C ATOM 754 CG LEU A 51 4.607 -18.827 0.589 1.00 62.22 C ATOM 755 CD1 LEU A 51 4.771 -19.300 -0.847 1.00 44.34 C ATOM 756 CD2 LEU A 51 4.007 -19.929 1.449 1.00 34.14 C ATOM 0 H LEU A 51 7.887 -16.513 1.774 1.00 53.43 H new ATOM 0 HA LEU A 51 4.935 -16.667 1.986 1.00 3.31 H new ATOM 0 HB2 LEU A 51 6.623 -18.160 0.330 1.00 63.30 H new ATOM 0 HB3 LEU A 51 6.384 -19.202 1.719 1.00 63.30 H new ATOM 0 HG LEU A 51 3.925 -17.977 0.595 1.00 62.22 H new ATOM 0 HD11 LEU A 51 3.805 -19.620 -1.237 1.00 44.34 H new ATOM 0 HD12 LEU A 51 5.157 -18.483 -1.457 1.00 44.34 H new ATOM 0 HD13 LEU A 51 5.469 -20.136 -0.877 1.00 44.34 H new ATOM 0 HD21 LEU A 51 3.052 -20.240 1.027 1.00 34.14 H new ATOM 0 HD22 LEU A 51 4.687 -20.781 1.476 1.00 34.14 H new ATOM 0 HD23 LEU A 51 3.852 -19.557 2.462 1.00 34.14 H new ATOM 768 N LEU A 52 5.023 -17.981 4.171 1.00 40.34 N ATOM 769 CA LEU A 52 5.078 -18.417 5.562 1.00 41.43 C ATOM 770 C LEU A 52 4.381 -19.762 5.739 1.00 52.41 C ATOM 771 O LEU A 52 3.536 -19.923 6.620 1.00 51.35 O ATOM 772 CB LEU A 52 4.431 -17.370 6.471 1.00 61.14 C ATOM 773 CG LEU A 52 5.293 -16.155 6.814 1.00 51.50 C ATOM 774 CD1 LEU A 52 5.560 -15.321 5.570 1.00 30.03 C ATOM 775 CD2 LEU A 52 4.622 -15.312 7.889 1.00 2.11 C ATOM 0 H LEU A 52 4.093 -18.021 3.754 1.00 40.34 H new ATOM 0 HA LEU A 52 6.126 -18.533 5.840 1.00 41.43 H new ATOM 0 HB2 LEU A 52 3.517 -17.018 5.993 1.00 61.14 H new ATOM 0 HB3 LEU A 52 4.138 -17.857 7.401 1.00 61.14 H new ATOM 0 HG LEU A 52 6.249 -16.509 7.201 1.00 51.50 H new ATOM 0 HD11 LEU A 52 6.175 -14.461 5.834 1.00 30.03 H new ATOM 0 HD12 LEU A 52 6.083 -15.928 4.831 1.00 30.03 H new ATOM 0 HD13 LEU A 52 4.614 -14.976 5.153 1.00 30.03 H new ATOM 0 HD21 LEU A 52 5.249 -14.451 8.121 1.00 2.11 H new ATOM 0 HD22 LEU A 52 3.652 -14.968 7.529 1.00 2.11 H new ATOM 0 HD23 LEU A 52 4.483 -15.912 8.788 1.00 2.11 H new ATOM 787 N SER A 53 4.742 -20.725 4.898 1.00 60.14 N ATOM 788 CA SER A 53 4.150 -22.056 4.960 1.00 31.22 C ATOM 789 C SER A 53 4.225 -22.618 6.377 1.00 71.14 C ATOM 790 O SER A 53 5.112 -22.260 7.152 1.00 33.30 O ATOM 791 CB SER A 53 4.860 -22.999 3.987 1.00 73.40 C ATOM 792 OG SER A 53 4.129 -24.202 3.817 1.00 13.52 O ATOM 0 H SER A 53 5.442 -20.609 4.165 1.00 60.14 H new ATOM 0 HA SER A 53 3.101 -21.974 4.675 1.00 31.22 H new ATOM 0 HB2 SER A 53 4.984 -22.506 3.023 1.00 73.40 H new ATOM 0 HB3 SER A 53 5.859 -23.226 4.360 1.00 73.40 H new ATOM 0 HG SER A 53 4.603 -24.787 3.189 1.00 13.52 H new ATOM 798 N ASP A 54 3.288 -23.500 6.707 1.00 52.23 N ATOM 799 CA ASP A 54 3.247 -24.113 8.029 1.00 32.12 C ATOM 800 C ASP A 54 3.398 -25.628 7.931 1.00 42.14 C ATOM 801 O ASP A 54 2.932 -26.247 6.974 1.00 50.13 O ATOM 802 CB ASP A 54 1.936 -23.764 8.736 1.00 4.13 C ATOM 803 CG ASP A 54 2.075 -23.765 10.246 1.00 1.50 C ATOM 804 OD1 ASP A 54 2.776 -24.652 10.777 1.00 15.35 O ATOM 805 OD2 ASP A 54 1.484 -22.877 10.896 1.00 21.30 O ATOM 0 H ASP A 54 2.547 -23.806 6.077 1.00 52.23 H new ATOM 0 HA ASP A 54 4.081 -23.720 8.610 1.00 32.12 H new ATOM 0 HB2 ASP A 54 1.599 -22.782 8.406 1.00 4.13 H new ATOM 0 HB3 ASP A 54 1.167 -24.480 8.444 1.00 4.13 H new ATOM 810 N ILE A 55 4.053 -26.218 8.925 1.00 42.22 N ATOM 811 CA ILE A 55 4.266 -27.660 8.950 1.00 53.44 C ATOM 812 C ILE A 55 3.496 -28.309 10.095 1.00 25.00 C ATOM 813 O ILE A 55 3.892 -28.210 11.257 1.00 50.13 O ATOM 814 CB ILE A 55 5.760 -28.006 9.088 1.00 71.20 C ATOM 815 CG1 ILE A 55 6.592 -27.172 8.112 1.00 72.14 C ATOM 816 CG2 ILE A 55 5.983 -29.492 8.848 1.00 45.31 C ATOM 817 CD1 ILE A 55 8.084 -27.315 8.314 1.00 0.12 C ATOM 0 H ILE A 55 4.445 -25.720 9.724 1.00 42.22 H new ATOM 0 HA ILE A 55 3.898 -28.050 8.001 1.00 53.44 H new ATOM 0 HB ILE A 55 6.081 -27.769 10.102 1.00 71.20 H new ATOM 0 HG12 ILE A 55 6.342 -27.465 7.092 1.00 72.14 H new ATOM 0 HG13 ILE A 55 6.318 -26.122 8.219 1.00 72.14 H new ATOM 0 HG21 ILE A 55 7.044 -29.722 8.949 1.00 45.31 H new ATOM 0 HG22 ILE A 55 5.416 -30.068 9.579 1.00 45.31 H new ATOM 0 HG23 ILE A 55 5.649 -29.752 7.844 1.00 45.31 H new ATOM 0 HD11 ILE A 55 8.610 -26.696 7.588 1.00 0.12 H new ATOM 0 HD12 ILE A 55 8.347 -26.995 9.322 1.00 0.12 H new ATOM 0 HD13 ILE A 55 8.371 -28.358 8.178 1.00 0.12 H new ATOM 829 N ARG A 56 2.397 -28.975 9.759 1.00 34.12 N ATOM 830 CA ARG A 56 1.572 -29.642 10.760 1.00 51.14 C ATOM 831 C ARG A 56 0.389 -30.350 10.105 1.00 2.20 C ATOM 832 O ARG A 56 -0.694 -30.435 10.684 1.00 45.32 O ATOM 833 CB ARG A 56 1.068 -28.632 11.792 1.00 53.54 C ATOM 834 CG ARG A 56 0.406 -27.410 11.175 1.00 2.21 C ATOM 835 CD ARG A 56 0.244 -26.291 12.192 1.00 20.24 C ATOM 836 NE ARG A 56 -0.798 -26.588 13.171 1.00 32.53 N ATOM 837 CZ ARG A 56 -0.918 -25.955 14.333 1.00 50.24 C ATOM 838 NH1 ARG A 56 -0.065 -24.993 14.658 1.00 31.30 N ATOM 839 NH2 ARG A 56 -1.893 -26.282 15.171 1.00 71.11 N ATOM 0 H ARG A 56 2.057 -29.068 8.802 1.00 34.12 H new ATOM 0 HA ARG A 56 2.187 -30.388 11.263 1.00 51.14 H new ATOM 0 HB2 ARG A 56 0.356 -29.126 12.453 1.00 53.54 H new ATOM 0 HB3 ARG A 56 1.905 -28.308 12.410 1.00 53.54 H new ATOM 0 HG2 ARG A 56 1.004 -27.056 10.335 1.00 2.21 H new ATOM 0 HG3 ARG A 56 -0.571 -27.686 10.777 1.00 2.21 H new ATOM 0 HD2 ARG A 56 1.191 -26.130 12.708 1.00 20.24 H new ATOM 0 HD3 ARG A 56 0.001 -25.363 11.674 1.00 20.24 H new ATOM 0 HE ARG A 56 -1.471 -27.322 12.951 1.00 32.53 H new ATOM 0 HH11 ARG A 56 0.685 -24.738 14.015 1.00 31.30 H new ATOM 0 HH12 ARG A 56 -0.159 -24.508 15.551 1.00 31.30 H new ATOM 0 HH21 ARG A 56 -2.552 -27.020 14.924 1.00 71.11 H new ATOM 0 HH22 ARG A 56 -1.984 -25.795 16.063 1.00 71.11 H new ATOM 853 N MET A 57 0.605 -30.856 8.895 1.00 13.51 N ATOM 854 CA MET A 57 -0.443 -31.557 8.162 1.00 14.54 C ATOM 855 C MET A 57 0.018 -32.952 7.755 1.00 23.11 C ATOM 856 O MET A 57 1.213 -33.229 7.644 1.00 72.03 O ATOM 857 CB MET A 57 -0.849 -30.758 6.922 1.00 71.52 C ATOM 858 CG MET A 57 0.333 -30.217 6.134 1.00 11.23 C ATOM 859 SD MET A 57 0.704 -28.498 6.533 1.00 24.15 S ATOM 860 CE MET A 57 1.583 -27.990 5.058 1.00 71.14 C ATOM 0 H MET A 57 1.496 -30.794 8.402 1.00 13.51 H new ATOM 0 HA MET A 57 -1.307 -31.657 8.819 1.00 14.54 H new ATOM 0 HB2 MET A 57 -1.449 -31.393 6.271 1.00 71.52 H new ATOM 0 HB3 MET A 57 -1.483 -29.926 7.228 1.00 71.52 H new ATOM 0 HG2 MET A 57 1.211 -30.831 6.336 1.00 11.23 H new ATOM 0 HG3 MET A 57 0.123 -30.302 5.068 1.00 11.23 H new ATOM 0 HE1 MET A 57 1.464 -26.916 4.915 1.00 71.14 H new ATOM 0 HE2 MET A 57 2.642 -28.227 5.166 1.00 71.14 H new ATOM 0 HE3 MET A 57 1.179 -28.518 4.194 1.00 71.14 H new ATOM 870 N PRO A 58 -0.949 -33.853 7.527 1.00 24.44 N ATOM 871 CA PRO A 58 -0.665 -35.235 7.129 1.00 62.22 C ATOM 872 C PRO A 58 -0.110 -35.327 5.711 1.00 21.34 C ATOM 873 O PRO A 58 -0.076 -34.337 4.982 1.00 30.21 O ATOM 874 CB PRO A 58 -2.033 -35.917 7.213 1.00 41.33 C ATOM 875 CG PRO A 58 -3.017 -34.814 7.025 1.00 33.52 C ATOM 876 CD PRO A 58 -2.393 -33.593 7.641 1.00 14.22 C ATOM 0 HA PRO A 58 0.095 -35.694 7.762 1.00 62.22 H new ATOM 0 HB2 PRO A 58 -2.143 -36.681 6.443 1.00 41.33 H new ATOM 0 HB3 PRO A 58 -2.171 -36.411 8.175 1.00 41.33 H new ATOM 0 HG2 PRO A 58 -3.226 -34.654 5.967 1.00 33.52 H new ATOM 0 HG3 PRO A 58 -3.966 -35.052 7.505 1.00 33.52 H new ATOM 0 HD2 PRO A 58 -2.681 -32.684 7.112 1.00 14.22 H new ATOM 0 HD3 PRO A 58 -2.698 -33.467 8.680 1.00 14.22 H new ATOM 884 N GLY A 59 0.324 -36.524 5.327 1.00 3.01 N ATOM 885 CA GLY A 59 0.872 -36.723 3.998 1.00 55.21 C ATOM 886 C GLY A 59 2.214 -36.042 3.816 1.00 73.23 C ATOM 887 O GLY A 59 3.261 -36.675 3.949 1.00 52.21 O ATOM 0 H GLY A 59 0.306 -37.359 5.913 1.00 3.01 H new ATOM 0 HA2 GLY A 59 0.982 -37.791 3.810 1.00 55.21 H new ATOM 0 HA3 GLY A 59 0.170 -36.339 3.258 1.00 55.21 H new ATOM 891 N MET A 60 2.183 -34.750 3.509 1.00 41.45 N ATOM 892 CA MET A 60 3.407 -33.983 3.307 1.00 23.22 C ATOM 893 C MET A 60 4.066 -33.651 4.642 1.00 4.11 C ATOM 894 O MET A 60 3.387 -33.469 5.652 1.00 32.54 O ATOM 895 CB MET A 60 3.107 -32.695 2.539 1.00 42.24 C ATOM 896 CG MET A 60 3.305 -32.823 1.037 1.00 74.11 C ATOM 897 SD MET A 60 1.777 -32.576 0.112 1.00 74.41 S ATOM 898 CE MET A 60 2.003 -30.899 -0.474 1.00 73.14 C ATOM 0 H MET A 60 1.324 -34.212 3.395 1.00 41.45 H new ATOM 0 HA MET A 60 4.096 -34.593 2.723 1.00 23.22 H new ATOM 0 HB2 MET A 60 2.078 -32.395 2.737 1.00 42.24 H new ATOM 0 HB3 MET A 60 3.750 -31.899 2.915 1.00 42.24 H new ATOM 0 HG2 MET A 60 4.046 -32.094 0.709 1.00 74.11 H new ATOM 0 HG3 MET A 60 3.707 -33.810 0.810 1.00 74.11 H new ATOM 0 HE1 MET A 60 1.115 -30.582 -1.020 1.00 73.14 H new ATOM 0 HE2 MET A 60 2.163 -30.235 0.376 1.00 73.14 H new ATOM 0 HE3 MET A 60 2.869 -30.858 -1.135 1.00 73.14 H new ATOM 908 N ASP A 61 5.393 -33.573 4.639 1.00 75.13 N ATOM 909 CA ASP A 61 6.143 -33.262 5.850 1.00 43.24 C ATOM 910 C ASP A 61 6.404 -31.763 5.957 1.00 43.32 C ATOM 911 O ASP A 61 7.291 -31.328 6.690 1.00 42.40 O ATOM 912 CB ASP A 61 7.469 -34.025 5.864 1.00 75.20 C ATOM 913 CG ASP A 61 7.313 -35.445 6.373 1.00 44.13 C ATOM 914 OD1 ASP A 61 6.478 -35.664 7.275 1.00 73.43 O ATOM 915 OD2 ASP A 61 8.027 -36.337 5.868 1.00 0.33 O ATOM 0 H ASP A 61 5.971 -33.721 3.811 1.00 75.13 H new ATOM 0 HA ASP A 61 5.545 -33.571 6.708 1.00 43.24 H new ATOM 0 HB2 ASP A 61 7.883 -34.047 4.856 1.00 75.20 H new ATOM 0 HB3 ASP A 61 8.184 -33.493 6.491 1.00 75.20 H new ATOM 920 N GLY A 62 5.625 -30.977 5.219 1.00 5.01 N ATOM 921 CA GLY A 62 5.789 -29.535 5.245 1.00 61.33 C ATOM 922 C GLY A 62 6.978 -29.072 4.426 1.00 33.01 C ATOM 923 O GLY A 62 6.828 -28.286 3.490 1.00 52.41 O ATOM 0 H GLY A 62 4.884 -31.313 4.604 1.00 5.01 H new ATOM 0 HA2 GLY A 62 4.883 -29.062 4.864 1.00 61.33 H new ATOM 0 HA3 GLY A 62 5.912 -29.205 6.277 1.00 61.33 H new ATOM 927 N LEU A 63 8.163 -29.558 4.779 1.00 75.21 N ATOM 928 CA LEU A 63 9.383 -29.188 4.071 1.00 61.00 C ATOM 929 C LEU A 63 9.545 -30.012 2.797 1.00 1.25 C ATOM 930 O LEU A 63 10.357 -29.683 1.933 1.00 20.30 O ATOM 931 CB LEU A 63 10.600 -29.383 4.976 1.00 25.14 C ATOM 932 CG LEU A 63 10.555 -30.592 5.912 1.00 55.03 C ATOM 933 CD1 LEU A 63 10.262 -31.862 5.128 1.00 23.22 C ATOM 934 CD2 LEU A 63 11.863 -30.724 6.677 1.00 62.31 C ATOM 0 H LEU A 63 8.305 -30.209 5.551 1.00 75.21 H new ATOM 0 HA LEU A 63 9.308 -28.136 3.794 1.00 61.00 H new ATOM 0 HB2 LEU A 63 11.486 -29.469 4.346 1.00 25.14 H new ATOM 0 HB3 LEU A 63 10.725 -28.485 5.581 1.00 25.14 H new ATOM 0 HG LEU A 63 9.751 -30.440 6.632 1.00 55.03 H new ATOM 0 HD11 LEU A 63 10.234 -32.712 5.810 1.00 23.22 H new ATOM 0 HD12 LEU A 63 9.299 -31.766 4.627 1.00 23.22 H new ATOM 0 HD13 LEU A 63 11.043 -32.019 4.385 1.00 23.22 H new ATOM 0 HD21 LEU A 63 11.812 -31.589 7.338 1.00 62.31 H new ATOM 0 HD22 LEU A 63 12.685 -30.853 5.973 1.00 62.31 H new ATOM 0 HD23 LEU A 63 12.030 -29.825 7.269 1.00 62.31 H new ATOM 946 N ALA A 64 8.765 -31.082 2.688 1.00 23.42 N ATOM 947 CA ALA A 64 8.819 -31.951 1.519 1.00 42.44 C ATOM 948 C ALA A 64 8.823 -31.136 0.230 1.00 45.33 C ATOM 949 O ALA A 64 9.752 -31.231 -0.574 1.00 73.33 O ATOM 950 CB ALA A 64 7.648 -32.921 1.528 1.00 73.54 C ATOM 0 H ALA A 64 8.088 -31.368 3.395 1.00 23.42 H new ATOM 0 HA ALA A 64 9.748 -32.520 1.562 1.00 42.44 H new ATOM 0 HB1 ALA A 64 7.701 -33.564 0.649 1.00 73.54 H new ATOM 0 HB2 ALA A 64 7.690 -33.534 2.429 1.00 73.54 H new ATOM 0 HB3 ALA A 64 6.712 -32.362 1.513 1.00 73.54 H new ATOM 956 N LEU A 65 7.781 -30.335 0.038 1.00 0.13 N ATOM 957 CA LEU A 65 7.664 -29.503 -1.154 1.00 42.14 C ATOM 958 C LEU A 65 8.422 -28.191 -0.979 1.00 42.15 C ATOM 959 O LEU A 65 8.951 -27.634 -1.943 1.00 14.55 O ATOM 960 CB LEU A 65 6.193 -29.218 -1.459 1.00 75.24 C ATOM 961 CG LEU A 65 5.535 -28.119 -0.625 1.00 53.51 C ATOM 962 CD1 LEU A 65 4.244 -27.652 -1.280 1.00 0.51 C ATOM 963 CD2 LEU A 65 5.269 -28.610 0.791 1.00 43.35 C ATOM 0 H LEU A 65 7.004 -30.244 0.693 1.00 0.13 H new ATOM 0 HA LEU A 65 8.103 -30.047 -1.990 1.00 42.14 H new ATOM 0 HB2 LEU A 65 6.107 -28.948 -2.512 1.00 75.24 H new ATOM 0 HB3 LEU A 65 5.628 -30.140 -1.319 1.00 75.24 H new ATOM 0 HG LEU A 65 6.219 -27.272 -0.572 1.00 53.51 H new ATOM 0 HD11 LEU A 65 3.790 -26.870 -0.672 1.00 0.51 H new ATOM 0 HD12 LEU A 65 4.461 -27.259 -2.273 1.00 0.51 H new ATOM 0 HD13 LEU A 65 3.554 -28.492 -1.365 1.00 0.51 H new ATOM 0 HD21 LEU A 65 4.800 -27.814 1.370 1.00 43.35 H new ATOM 0 HD22 LEU A 65 4.605 -29.474 0.758 1.00 43.35 H new ATOM 0 HD23 LEU A 65 6.211 -28.894 1.261 1.00 43.35 H new ATOM 975 N LEU A 66 8.473 -27.704 0.255 1.00 5.52 N ATOM 976 CA LEU A 66 9.169 -26.457 0.558 1.00 63.54 C ATOM 977 C LEU A 66 10.625 -26.524 0.108 1.00 24.13 C ATOM 978 O LEU A 66 11.258 -25.497 -0.138 1.00 62.14 O ATOM 979 CB LEU A 66 9.099 -26.162 2.057 1.00 63.21 C ATOM 980 CG LEU A 66 8.582 -24.776 2.445 1.00 62.44 C ATOM 981 CD1 LEU A 66 7.859 -24.831 3.781 1.00 23.25 C ATOM 982 CD2 LEU A 66 9.727 -23.775 2.496 1.00 60.11 C ATOM 0 H LEU A 66 8.041 -28.153 1.063 1.00 5.52 H new ATOM 0 HA LEU A 66 8.676 -25.652 0.013 1.00 63.54 H new ATOM 0 HB2 LEU A 66 8.459 -26.910 2.525 1.00 63.21 H new ATOM 0 HB3 LEU A 66 10.096 -26.287 2.478 1.00 63.21 H new ATOM 0 HG LEU A 66 7.873 -24.448 1.685 1.00 62.44 H new ATOM 0 HD11 LEU A 66 7.498 -23.836 4.041 1.00 23.25 H new ATOM 0 HD12 LEU A 66 7.014 -25.516 3.710 1.00 23.25 H new ATOM 0 HD13 LEU A 66 8.545 -25.181 4.552 1.00 23.25 H new ATOM 0 HD21 LEU A 66 9.341 -22.794 2.774 1.00 60.11 H new ATOM 0 HD22 LEU A 66 10.460 -24.099 3.235 1.00 60.11 H new ATOM 0 HD23 LEU A 66 10.201 -23.714 1.516 1.00 60.11 H new ATOM 994 N LYS A 67 11.151 -27.740 0.002 1.00 43.42 N ATOM 995 CA LYS A 67 12.532 -27.942 -0.421 1.00 72.14 C ATOM 996 C LYS A 67 12.734 -27.474 -1.859 1.00 64.10 C ATOM 997 O LYS A 67 13.858 -27.198 -2.278 1.00 61.43 O ATOM 998 CB LYS A 67 12.914 -29.419 -0.296 1.00 0.31 C ATOM 999 CG LYS A 67 14.202 -29.650 0.475 1.00 63.13 C ATOM 1000 CD LYS A 67 14.003 -29.448 1.967 1.00 21.35 C ATOM 1001 CE LYS A 67 14.287 -30.724 2.745 1.00 21.22 C ATOM 1002 NZ LYS A 67 15.714 -30.814 3.162 1.00 11.53 N ATOM 0 H LYS A 67 10.642 -28.600 0.203 1.00 43.42 H new ATOM 0 HA LYS A 67 13.176 -27.350 0.229 1.00 72.14 H new ATOM 0 HB2 LYS A 67 12.103 -29.955 0.198 1.00 0.31 H new ATOM 0 HB3 LYS A 67 13.016 -29.845 -1.294 1.00 0.31 H new ATOM 0 HG2 LYS A 67 14.562 -30.662 0.289 1.00 63.13 H new ATOM 0 HG3 LYS A 67 14.971 -28.967 0.114 1.00 63.13 H new ATOM 0 HD2 LYS A 67 14.660 -28.652 2.318 1.00 21.35 H new ATOM 0 HD3 LYS A 67 12.980 -29.124 2.158 1.00 21.35 H new ATOM 0 HE2 LYS A 67 13.648 -30.761 3.627 1.00 21.22 H new ATOM 0 HE3 LYS A 67 14.033 -31.588 2.131 1.00 21.22 H new ATOM 0 HZ1 LYS A 67 16.125 -31.701 2.806 1.00 11.53 H new ATOM 0 HZ2 LYS A 67 16.241 -30.007 2.772 1.00 11.53 H new ATOM 0 HZ3 LYS A 67 15.774 -30.797 4.200 1.00 11.53 H new ATOM 1016 N GLN A 68 11.640 -27.386 -2.608 1.00 12.13 N ATOM 1017 CA GLN A 68 11.699 -26.950 -3.998 1.00 32.21 C ATOM 1018 C GLN A 68 11.638 -25.429 -4.095 1.00 22.42 C ATOM 1019 O GLN A 68 12.126 -24.840 -5.060 1.00 13.55 O ATOM 1020 CB GLN A 68 10.552 -27.570 -4.798 1.00 32.22 C ATOM 1021 CG GLN A 68 9.244 -26.805 -4.679 1.00 13.04 C ATOM 1022 CD GLN A 68 8.031 -27.714 -4.715 1.00 13.44 C ATOM 1023 OE1 GLN A 68 8.075 -28.806 -5.281 1.00 44.24 O ATOM 1024 NE2 GLN A 68 6.937 -27.266 -4.108 1.00 25.31 N ATOM 0 H GLN A 68 10.702 -27.611 -2.276 1.00 12.13 H new ATOM 0 HA GLN A 68 12.648 -27.285 -4.417 1.00 32.21 H new ATOM 0 HB2 GLN A 68 10.839 -27.621 -5.848 1.00 32.22 H new ATOM 0 HB3 GLN A 68 10.396 -28.594 -4.460 1.00 32.22 H new ATOM 0 HG2 GLN A 68 9.242 -26.239 -3.747 1.00 13.04 H new ATOM 0 HG3 GLN A 68 9.175 -26.082 -5.491 1.00 13.04 H new ATOM 0 HE21 GLN A 68 6.945 -26.354 -3.651 1.00 25.31 H new ATOM 0 HE22 GLN A 68 6.090 -27.834 -4.099 1.00 25.31 H new ATOM 1033 N ILE A 69 11.037 -24.801 -3.090 1.00 71.13 N ATOM 1034 CA ILE A 69 10.914 -23.349 -3.063 1.00 14.14 C ATOM 1035 C ILE A 69 12.281 -22.679 -3.151 1.00 72.40 C ATOM 1036 O ILE A 69 12.413 -21.582 -3.693 1.00 3.33 O ATOM 1037 CB ILE A 69 10.201 -22.869 -1.785 1.00 10.34 C ATOM 1038 CG1 ILE A 69 8.749 -23.350 -1.773 1.00 14.11 C ATOM 1039 CG2 ILE A 69 10.263 -21.352 -1.682 1.00 21.14 C ATOM 1040 CD1 ILE A 69 8.024 -23.053 -0.479 1.00 0.33 C ATOM 0 H ILE A 69 10.628 -25.275 -2.284 1.00 71.13 H new ATOM 0 HA ILE A 69 10.318 -23.067 -3.931 1.00 14.14 H new ATOM 0 HB ILE A 69 10.712 -23.294 -0.921 1.00 10.34 H new ATOM 0 HG12 ILE A 69 8.212 -22.880 -2.597 1.00 14.11 H new ATOM 0 HG13 ILE A 69 8.729 -24.425 -1.952 1.00 14.11 H new ATOM 0 HG21 ILE A 69 9.755 -21.028 -0.774 1.00 21.14 H new ATOM 0 HG22 ILE A 69 11.304 -21.032 -1.649 1.00 21.14 H new ATOM 0 HG23 ILE A 69 9.774 -20.908 -2.549 1.00 21.14 H new ATOM 0 HD11 ILE A 69 7.000 -23.422 -0.542 1.00 0.33 H new ATOM 0 HD12 ILE A 69 8.537 -23.546 0.347 1.00 0.33 H new ATOM 0 HD13 ILE A 69 8.012 -21.977 -0.308 1.00 0.33 H new ATOM 1052 N LYS A 70 13.297 -23.348 -2.617 1.00 32.44 N ATOM 1053 CA LYS A 70 14.656 -22.821 -2.637 1.00 30.20 C ATOM 1054 C LYS A 70 15.330 -23.106 -3.975 1.00 62.32 C ATOM 1055 O LYS A 70 16.307 -22.452 -4.339 1.00 61.43 O ATOM 1056 CB LYS A 70 15.479 -23.431 -1.499 1.00 55.54 C ATOM 1057 CG LYS A 70 14.929 -23.121 -0.118 1.00 13.02 C ATOM 1058 CD LYS A 70 15.124 -21.658 0.245 1.00 32.42 C ATOM 1059 CE LYS A 70 13.881 -21.077 0.902 1.00 44.40 C ATOM 1060 NZ LYS A 70 13.864 -19.589 0.836 1.00 60.02 N ATOM 0 H LYS A 70 13.205 -24.257 -2.164 1.00 32.44 H new ATOM 0 HA LYS A 70 14.602 -21.741 -2.500 1.00 30.20 H new ATOM 0 HB2 LYS A 70 15.520 -24.512 -1.630 1.00 55.54 H new ATOM 0 HB3 LYS A 70 16.503 -23.063 -1.564 1.00 55.54 H new ATOM 0 HG2 LYS A 70 13.868 -23.367 -0.085 1.00 13.02 H new ATOM 0 HG3 LYS A 70 15.425 -23.749 0.622 1.00 13.02 H new ATOM 0 HD2 LYS A 70 15.974 -21.560 0.921 1.00 32.42 H new ATOM 0 HD3 LYS A 70 15.363 -21.088 -0.653 1.00 32.42 H new ATOM 0 HE2 LYS A 70 12.992 -21.473 0.411 1.00 44.40 H new ATOM 0 HE3 LYS A 70 13.838 -21.395 1.944 1.00 44.40 H new ATOM 0 HZ1 LYS A 70 13.028 -19.229 1.338 1.00 60.02 H new ATOM 0 HZ2 LYS A 70 14.725 -19.212 1.282 1.00 60.02 H new ATOM 0 HZ3 LYS A 70 13.828 -19.286 -0.158 1.00 60.02 H new ATOM 1074 N GLN A 71 14.801 -24.085 -4.703 1.00 1.33 N ATOM 1075 CA GLN A 71 15.352 -24.455 -6.001 1.00 4.41 C ATOM 1076 C GLN A 71 14.693 -23.656 -7.120 1.00 54.31 C ATOM 1077 O GLN A 71 15.300 -23.410 -8.162 1.00 64.21 O ATOM 1078 CB GLN A 71 15.167 -25.952 -6.249 1.00 74.45 C ATOM 1079 CG GLN A 71 15.524 -26.384 -7.663 1.00 10.53 C ATOM 1080 CD GLN A 71 16.924 -25.964 -8.064 1.00 63.13 C ATOM 1081 OE1 GLN A 71 17.104 -25.116 -8.939 1.00 20.11 O ATOM 1082 NE2 GLN A 71 17.926 -26.557 -7.426 1.00 3.04 N ATOM 0 H GLN A 71 13.992 -24.636 -4.416 1.00 1.33 H new ATOM 0 HA GLN A 71 16.417 -24.224 -5.994 1.00 4.41 H new ATOM 0 HB2 GLN A 71 15.783 -26.508 -5.542 1.00 74.45 H new ATOM 0 HB3 GLN A 71 14.130 -26.220 -6.047 1.00 74.45 H new ATOM 0 HG2 GLN A 71 15.437 -27.468 -7.741 1.00 10.53 H new ATOM 0 HG3 GLN A 71 14.806 -25.956 -8.362 1.00 10.53 H new ATOM 0 HE21 GLN A 71 17.732 -27.254 -6.707 1.00 3.04 H new ATOM 0 HE22 GLN A 71 18.890 -26.315 -7.654 1.00 3.04 H new ATOM 1091 N ARG A 72 13.446 -23.253 -6.897 1.00 72.24 N ATOM 1092 CA ARG A 72 12.703 -22.483 -7.888 1.00 20.41 C ATOM 1093 C ARG A 72 12.790 -20.989 -7.592 1.00 33.03 C ATOM 1094 O ARG A 72 12.968 -20.175 -8.498 1.00 43.04 O ATOM 1095 CB ARG A 72 11.239 -22.925 -7.915 1.00 15.23 C ATOM 1096 CG ARG A 72 10.869 -23.734 -9.147 1.00 54.43 C ATOM 1097 CD ARG A 72 9.457 -23.419 -9.617 1.00 50.11 C ATOM 1098 NE ARG A 72 9.413 -23.097 -11.041 1.00 31.21 N ATOM 1099 CZ ARG A 72 9.597 -23.994 -12.003 1.00 63.21 C ATOM 1100 NH1 ARG A 72 9.837 -25.262 -11.696 1.00 15.55 N ATOM 1101 NH2 ARG A 72 9.542 -23.624 -13.276 1.00 60.32 N ATOM 0 H ARG A 72 12.929 -23.447 -6.039 1.00 72.24 H new ATOM 0 HA ARG A 72 13.149 -22.668 -8.865 1.00 20.41 H new ATOM 0 HB2 ARG A 72 11.031 -23.519 -7.025 1.00 15.23 H new ATOM 0 HB3 ARG A 72 10.601 -22.043 -7.865 1.00 15.23 H new ATOM 0 HG2 ARG A 72 11.576 -23.522 -9.949 1.00 54.43 H new ATOM 0 HG3 ARG A 72 10.950 -24.798 -8.923 1.00 54.43 H new ATOM 0 HD2 ARG A 72 8.810 -24.273 -9.418 1.00 50.11 H new ATOM 0 HD3 ARG A 72 9.063 -22.580 -9.043 1.00 50.11 H new ATOM 0 HE ARG A 72 9.231 -22.130 -11.311 1.00 31.21 H new ATOM 0 HH11 ARG A 72 9.881 -25.551 -10.719 1.00 15.55 H new ATOM 0 HH12 ARG A 72 9.978 -25.948 -12.437 1.00 15.55 H new ATOM 0 HH21 ARG A 72 9.358 -22.650 -13.517 1.00 60.32 H new ATOM 0 HH22 ARG A 72 9.683 -24.314 -14.014 1.00 60.32 H new ATOM 1115 N HIS A 73 12.661 -20.635 -6.317 1.00 24.22 N ATOM 1116 CA HIS A 73 12.725 -19.239 -5.901 1.00 3.41 C ATOM 1117 C HIS A 73 13.773 -19.044 -4.809 1.00 32.43 C ATOM 1118 O HIS A 73 13.456 -18.924 -3.625 1.00 71.21 O ATOM 1119 CB HIS A 73 11.358 -18.770 -5.402 1.00 22.24 C ATOM 1120 CG HIS A 73 10.225 -19.165 -6.298 1.00 64.51 C ATOM 1121 ND1 HIS A 73 9.767 -18.370 -7.327 1.00 12.23 N ATOM 1122 CD2 HIS A 73 9.459 -20.281 -6.317 1.00 20.00 C ATOM 1123 CE1 HIS A 73 8.766 -18.978 -7.938 1.00 62.03 C ATOM 1124 NE2 HIS A 73 8.560 -20.140 -7.345 1.00 52.01 N ATOM 0 H HIS A 73 12.512 -21.296 -5.555 1.00 24.22 H new ATOM 0 HA HIS A 73 13.012 -18.641 -6.766 1.00 3.41 H new ATOM 0 HB2 HIS A 73 11.183 -19.180 -4.407 1.00 22.24 H new ATOM 0 HB3 HIS A 73 11.370 -17.685 -5.302 1.00 22.24 H new ATOM 0 HD2 HIS A 73 9.540 -21.125 -5.648 1.00 20.00 H new ATOM 0 HE1 HIS A 73 8.211 -18.591 -8.779 1.00 62.03 H new ATOM 0 HE2 HIS A 73 7.849 -20.822 -7.608 1.00 52.01 H new ATOM 1132 N PRO A 74 15.051 -19.013 -5.213 1.00 24.50 N ATOM 1133 CA PRO A 74 16.171 -18.834 -4.284 1.00 62.41 C ATOM 1134 C PRO A 74 16.220 -17.427 -3.699 1.00 72.11 C ATOM 1135 O PRO A 74 16.519 -17.245 -2.519 1.00 65.44 O ATOM 1136 CB PRO A 74 17.401 -19.093 -5.158 1.00 24.24 C ATOM 1137 CG PRO A 74 16.956 -18.773 -6.543 1.00 24.41 C ATOM 1138 CD PRO A 74 15.502 -19.150 -6.608 1.00 62.41 C ATOM 0 HA PRO A 74 16.096 -19.497 -3.422 1.00 62.41 H new ATOM 0 HB2 PRO A 74 18.240 -18.465 -4.857 1.00 24.24 H new ATOM 0 HB3 PRO A 74 17.733 -20.128 -5.078 1.00 24.24 H new ATOM 0 HG2 PRO A 74 17.095 -17.714 -6.763 1.00 24.41 H new ATOM 0 HG3 PRO A 74 17.537 -19.330 -7.278 1.00 24.41 H new ATOM 0 HD2 PRO A 74 14.946 -18.493 -7.276 1.00 62.41 H new ATOM 0 HD3 PRO A 74 15.367 -20.167 -6.976 1.00 62.41 H new ATOM 1146 N MET A 75 15.923 -16.435 -4.532 1.00 13.45 N ATOM 1147 CA MET A 75 15.931 -15.043 -4.095 1.00 61.20 C ATOM 1148 C MET A 75 14.663 -14.710 -3.316 1.00 74.12 C ATOM 1149 O MET A 75 14.499 -13.592 -2.825 1.00 21.42 O ATOM 1150 CB MET A 75 16.064 -14.109 -5.299 1.00 61.35 C ATOM 1151 CG MET A 75 14.837 -14.096 -6.197 1.00 22.41 C ATOM 1152 SD MET A 75 14.074 -12.467 -6.306 1.00 50.55 S ATOM 1153 CE MET A 75 12.548 -12.747 -5.412 1.00 53.40 C ATOM 0 H MET A 75 15.674 -16.568 -5.512 1.00 13.45 H new ATOM 0 HA MET A 75 16.788 -14.900 -3.437 1.00 61.20 H new ATOM 0 HB2 MET A 75 16.255 -13.096 -4.944 1.00 61.35 H new ATOM 0 HB3 MET A 75 16.931 -14.409 -5.887 1.00 61.35 H new ATOM 0 HG2 MET A 75 15.119 -14.428 -7.196 1.00 22.41 H new ATOM 0 HG3 MET A 75 14.106 -14.811 -5.818 1.00 22.41 H new ATOM 0 HE1 MET A 75 11.799 -12.023 -5.735 1.00 53.40 H new ATOM 0 HE2 MET A 75 12.188 -13.756 -5.614 1.00 53.40 H new ATOM 0 HE3 MET A 75 12.726 -12.632 -4.343 1.00 53.40 H new ATOM 1163 N LEU A 76 13.767 -15.685 -3.207 1.00 63.44 N ATOM 1164 CA LEU A 76 12.512 -15.495 -2.488 1.00 65.40 C ATOM 1165 C LEU A 76 12.632 -15.981 -1.047 1.00 71.41 C ATOM 1166 O LEU A 76 12.745 -17.177 -0.777 1.00 31.23 O ATOM 1167 CB LEU A 76 11.378 -16.238 -3.196 1.00 62.14 C ATOM 1168 CG LEU A 76 9.994 -16.114 -2.559 1.00 72.21 C ATOM 1169 CD1 LEU A 76 9.395 -14.746 -2.846 1.00 75.33 C ATOM 1170 CD2 LEU A 76 9.074 -17.218 -3.062 1.00 44.40 C ATOM 0 H LEU A 76 13.886 -16.615 -3.608 1.00 63.44 H new ATOM 0 HA LEU A 76 12.287 -14.429 -2.475 1.00 65.40 H new ATOM 0 HB2 LEU A 76 11.318 -15.875 -4.222 1.00 62.14 H new ATOM 0 HB3 LEU A 76 11.639 -17.295 -3.247 1.00 62.14 H new ATOM 0 HG LEU A 76 10.101 -16.222 -1.480 1.00 72.21 H new ATOM 0 HD11 LEU A 76 8.410 -14.676 -2.385 1.00 75.33 H new ATOM 0 HD12 LEU A 76 10.043 -13.972 -2.436 1.00 75.33 H new ATOM 0 HD13 LEU A 76 9.302 -14.608 -3.923 1.00 75.33 H new ATOM 0 HD21 LEU A 76 8.093 -17.114 -2.598 1.00 44.40 H new ATOM 0 HD22 LEU A 76 8.973 -17.142 -4.145 1.00 44.40 H new ATOM 0 HD23 LEU A 76 9.496 -18.189 -2.804 1.00 44.40 H new ATOM 1182 N PRO A 77 12.604 -15.034 -0.099 1.00 3.55 N ATOM 1183 CA PRO A 77 12.705 -15.341 1.331 1.00 23.22 C ATOM 1184 C PRO A 77 11.462 -16.046 1.862 1.00 72.43 C ATOM 1185 O PRO A 77 10.358 -15.504 1.808 1.00 72.22 O ATOM 1186 CB PRO A 77 12.857 -13.963 1.981 1.00 72.43 C ATOM 1187 CG PRO A 77 12.219 -13.020 1.020 1.00 2.24 C ATOM 1188 CD PRO A 77 12.472 -13.588 -0.349 1.00 32.45 C ATOM 0 HA PRO A 77 13.530 -16.021 1.544 1.00 23.22 H new ATOM 0 HB2 PRO A 77 12.368 -13.928 2.954 1.00 72.43 H new ATOM 0 HB3 PRO A 77 13.906 -13.715 2.142 1.00 72.43 H new ATOM 0 HG2 PRO A 77 11.150 -12.930 1.213 1.00 2.24 H new ATOM 0 HG3 PRO A 77 12.645 -12.021 1.113 1.00 2.24 H new ATOM 0 HD2 PRO A 77 11.651 -13.372 -1.032 1.00 32.45 H new ATOM 0 HD3 PRO A 77 13.376 -13.173 -0.796 1.00 32.45 H new ATOM 1196 N VAL A 78 11.648 -17.259 2.375 1.00 51.53 N ATOM 1197 CA VAL A 78 10.541 -18.037 2.917 1.00 71.53 C ATOM 1198 C VAL A 78 10.707 -18.259 4.416 1.00 61.12 C ATOM 1199 O VAL A 78 11.823 -18.243 4.936 1.00 62.02 O ATOM 1200 CB VAL A 78 10.421 -19.404 2.217 1.00 71.40 C ATOM 1201 CG1 VAL A 78 9.232 -20.181 2.762 1.00 54.44 C ATOM 1202 CG2 VAL A 78 10.305 -19.223 0.711 1.00 24.20 C ATOM 0 H VAL A 78 12.555 -17.723 2.426 1.00 51.53 H new ATOM 0 HA VAL A 78 9.632 -17.463 2.736 1.00 71.53 H new ATOM 0 HB VAL A 78 11.324 -19.978 2.422 1.00 71.40 H new ATOM 0 HG11 VAL A 78 9.163 -21.144 2.256 1.00 54.44 H new ATOM 0 HG12 VAL A 78 9.362 -20.342 3.832 1.00 54.44 H new ATOM 0 HG13 VAL A 78 8.317 -19.614 2.589 1.00 54.44 H new ATOM 0 HG21 VAL A 78 10.221 -20.199 0.233 1.00 24.20 H new ATOM 0 HG22 VAL A 78 9.419 -18.630 0.483 1.00 24.20 H new ATOM 0 HG23 VAL A 78 11.191 -18.711 0.337 1.00 24.20 H new ATOM 1212 N ILE A 79 9.590 -18.466 5.105 1.00 22.30 N ATOM 1213 CA ILE A 79 9.612 -18.693 6.545 1.00 45.13 C ATOM 1214 C ILE A 79 8.913 -19.999 6.907 1.00 53.44 C ATOM 1215 O ILE A 79 7.884 -20.345 6.324 1.00 24.35 O ATOM 1216 CB ILE A 79 8.941 -17.535 7.307 1.00 23.43 C ATOM 1217 CG1 ILE A 79 9.406 -16.189 6.747 1.00 23.55 C ATOM 1218 CG2 ILE A 79 9.249 -17.632 8.794 1.00 2.31 C ATOM 1219 CD1 ILE A 79 8.681 -15.004 7.344 1.00 12.21 C ATOM 0 H ILE A 79 8.659 -18.481 4.690 1.00 22.30 H new ATOM 0 HA ILE A 79 10.660 -18.752 6.839 1.00 45.13 H new ATOM 0 HB ILE A 79 7.862 -17.608 7.174 1.00 23.43 H new ATOM 0 HG12 ILE A 79 10.475 -16.079 6.928 1.00 23.55 H new ATOM 0 HG13 ILE A 79 9.263 -16.185 5.666 1.00 23.55 H new ATOM 0 HG21 ILE A 79 8.768 -16.807 9.320 1.00 2.31 H new ATOM 0 HG22 ILE A 79 8.873 -18.578 9.183 1.00 2.31 H new ATOM 0 HG23 ILE A 79 10.327 -17.580 8.946 1.00 2.31 H new ATOM 0 HD11 ILE A 79 9.062 -14.084 6.901 1.00 12.21 H new ATOM 0 HD12 ILE A 79 7.614 -15.090 7.141 1.00 12.21 H new ATOM 0 HD13 ILE A 79 8.844 -14.983 8.421 1.00 12.21 H new ATOM 1231 N ILE A 80 9.476 -20.717 7.872 1.00 72.42 N ATOM 1232 CA ILE A 80 8.904 -21.983 8.313 1.00 20.44 C ATOM 1233 C ILE A 80 8.213 -21.833 9.664 1.00 13.02 C ATOM 1234 O ILE A 80 8.700 -21.128 10.547 1.00 23.02 O ATOM 1235 CB ILE A 80 9.980 -23.080 8.419 1.00 33.52 C ATOM 1236 CG1 ILE A 80 10.720 -23.230 7.088 1.00 14.13 C ATOM 1237 CG2 ILE A 80 9.350 -24.402 8.833 1.00 75.15 C ATOM 1238 CD1 ILE A 80 9.950 -24.022 6.055 1.00 60.41 C ATOM 0 H ILE A 80 10.327 -20.444 8.363 1.00 72.42 H new ATOM 0 HA ILE A 80 8.170 -22.276 7.562 1.00 20.44 H new ATOM 0 HB ILE A 80 10.701 -22.788 9.183 1.00 33.52 H new ATOM 0 HG12 ILE A 80 10.936 -22.239 6.688 1.00 14.13 H new ATOM 0 HG13 ILE A 80 11.678 -23.717 7.267 1.00 14.13 H new ATOM 0 HG21 ILE A 80 10.123 -25.167 8.904 1.00 75.15 H new ATOM 0 HG22 ILE A 80 8.865 -24.286 9.802 1.00 75.15 H new ATOM 0 HG23 ILE A 80 8.610 -24.701 8.090 1.00 75.15 H new ATOM 0 HD11 ILE A 80 10.534 -24.088 5.137 1.00 60.41 H new ATOM 0 HD12 ILE A 80 9.757 -25.025 6.435 1.00 60.41 H new ATOM 0 HD13 ILE A 80 9.003 -23.524 5.847 1.00 60.41 H new ATOM 1250 N MET A 81 7.075 -22.502 9.818 1.00 14.10 N ATOM 1251 CA MET A 81 6.317 -22.445 11.063 1.00 5.11 C ATOM 1252 C MET A 81 5.992 -23.848 11.566 1.00 52.30 C ATOM 1253 O MET A 81 5.369 -24.643 10.861 1.00 43.31 O ATOM 1254 CB MET A 81 5.026 -21.649 10.864 1.00 60.34 C ATOM 1255 CG MET A 81 5.220 -20.363 10.077 1.00 1.14 C ATOM 1256 SD MET A 81 3.717 -19.371 9.986 1.00 30.22 S ATOM 1257 CE MET A 81 2.575 -20.552 9.273 1.00 33.42 C ATOM 0 H MET A 81 6.657 -23.090 9.097 1.00 14.10 H new ATOM 0 HA MET A 81 6.932 -21.944 11.811 1.00 5.11 H new ATOM 0 HB2 MET A 81 4.299 -22.275 10.347 1.00 60.34 H new ATOM 0 HB3 MET A 81 4.603 -21.408 11.839 1.00 60.34 H new ATOM 0 HG2 MET A 81 6.012 -19.774 10.540 1.00 1.14 H new ATOM 0 HG3 MET A 81 5.552 -20.606 9.068 1.00 1.14 H new ATOM 0 HE1 MET A 81 2.027 -20.081 8.457 1.00 33.42 H new ATOM 0 HE2 MET A 81 3.129 -21.409 8.891 1.00 33.42 H new ATOM 0 HE3 MET A 81 1.872 -20.885 10.037 1.00 33.42 H new ATOM 1267 N THR A 82 6.417 -24.146 12.790 1.00 74.52 N ATOM 1268 CA THR A 82 6.171 -25.454 13.386 1.00 4.51 C ATOM 1269 C THR A 82 6.561 -25.467 14.860 1.00 70.32 C ATOM 1270 O THR A 82 5.781 -25.887 15.714 1.00 54.12 O ATOM 1271 CB THR A 82 6.949 -26.561 12.651 1.00 62.32 C ATOM 1272 OG1 THR A 82 6.837 -27.796 13.367 1.00 62.33 O ATOM 1273 CG2 THR A 82 8.416 -26.186 12.503 1.00 10.03 C ATOM 0 H THR A 82 6.933 -23.500 13.388 1.00 74.52 H new ATOM 0 HA THR A 82 5.103 -25.649 13.293 1.00 4.51 H new ATOM 0 HB THR A 82 6.519 -26.677 11.656 1.00 62.32 H new ATOM 0 HG1 THR A 82 6.277 -28.419 12.859 1.00 62.33 H new ATOM 0 HG21 THR A 82 8.945 -26.984 11.981 1.00 10.03 H new ATOM 0 HG22 THR A 82 8.499 -25.261 11.932 1.00 10.03 H new ATOM 0 HG23 THR A 82 8.857 -26.044 13.490 1.00 10.03 H new ATOM 1281 N ALA A 83 7.773 -25.005 15.151 1.00 35.32 N ATOM 1282 CA ALA A 83 8.264 -24.962 16.523 1.00 62.13 C ATOM 1283 C ALA A 83 8.410 -26.367 17.098 1.00 12.21 C ATOM 1284 O ALA A 83 8.230 -27.360 16.392 1.00 14.41 O ATOM 1285 CB ALA A 83 7.334 -24.128 17.391 1.00 51.12 C ATOM 0 H ALA A 83 8.432 -24.656 14.456 1.00 35.32 H new ATOM 0 HA ALA A 83 9.250 -24.497 16.515 1.00 62.13 H new ATOM 0 HB1 ALA A 83 7.713 -24.105 18.413 1.00 51.12 H new ATOM 0 HB2 ALA A 83 7.284 -23.112 16.999 1.00 51.12 H new ATOM 0 HB3 ALA A 83 6.337 -24.569 17.384 1.00 51.12 H new ATOM 1291 N HIS A 84 8.738 -26.444 18.384 1.00 51.40 N ATOM 1292 CA HIS A 84 8.908 -27.728 19.054 1.00 11.22 C ATOM 1293 C HIS A 84 9.616 -28.726 18.144 1.00 61.34 C ATOM 1294 O HIS A 84 10.327 -28.340 17.216 1.00 52.50 O ATOM 1295 CB HIS A 84 7.551 -28.286 19.485 1.00 41.21 C ATOM 1296 CG HIS A 84 6.682 -28.699 18.337 1.00 31.04 C ATOM 1297 ND1 HIS A 84 6.633 -29.991 17.857 1.00 1.31 N ATOM 1298 CD2 HIS A 84 5.823 -27.983 17.575 1.00 72.02 C ATOM 1299 CE1 HIS A 84 5.783 -30.051 16.848 1.00 41.13 C ATOM 1300 NE2 HIS A 84 5.277 -28.846 16.656 1.00 3.14 N ATOM 0 H HIS A 84 8.891 -25.632 18.983 1.00 51.40 H new ATOM 0 HA HIS A 84 9.525 -27.569 19.939 1.00 11.22 H new ATOM 0 HB2 HIS A 84 7.711 -29.145 20.137 1.00 41.21 H new ATOM 0 HB3 HIS A 84 7.028 -27.532 20.074 1.00 41.21 H new ATOM 0 HD2 HIS A 84 5.607 -26.929 17.671 1.00 72.02 H new ATOM 0 HE1 HIS A 84 5.542 -30.935 16.277 1.00 41.13 H new ATOM 0 HE2 HIS A 84 4.593 -28.597 15.942 1.00 3.14 H new ATOM 1308 N SER A 85 9.418 -30.012 18.416 1.00 74.23 N ATOM 1309 CA SER A 85 10.041 -31.066 17.624 1.00 71.12 C ATOM 1310 C SER A 85 9.766 -30.863 16.137 1.00 41.02 C ATOM 1311 O SER A 85 8.743 -31.309 15.617 1.00 50.42 O ATOM 1312 CB SER A 85 9.527 -32.437 18.066 1.00 32.43 C ATOM 1313 OG SER A 85 10.318 -32.964 19.118 1.00 52.52 O ATOM 0 H SER A 85 8.831 -30.349 19.179 1.00 74.23 H new ATOM 0 HA SER A 85 11.118 -31.020 17.787 1.00 71.12 H new ATOM 0 HB2 SER A 85 8.491 -32.352 18.393 1.00 32.43 H new ATOM 0 HB3 SER A 85 9.538 -33.123 17.219 1.00 32.43 H new ATOM 0 HG SER A 85 9.968 -33.840 19.383 1.00 52.52 H new ATOM 1319 N ASP A 86 10.687 -30.187 15.459 1.00 70.24 N ATOM 1320 CA ASP A 86 10.546 -29.925 14.031 1.00 0.10 C ATOM 1321 C ASP A 86 11.596 -28.925 13.556 1.00 70.51 C ATOM 1322 O ASP A 86 12.210 -29.107 12.503 1.00 15.52 O ATOM 1323 CB ASP A 86 9.144 -29.396 13.724 1.00 43.40 C ATOM 1324 CG ASP A 86 8.277 -30.424 13.025 1.00 64.15 C ATOM 1325 OD1 ASP A 86 8.792 -31.121 12.124 1.00 11.34 O ATOM 1326 OD2 ASP A 86 7.085 -30.533 13.378 1.00 72.12 O ATOM 0 H ASP A 86 11.539 -29.811 15.875 1.00 70.24 H new ATOM 0 HA ASP A 86 10.697 -30.864 13.498 1.00 0.10 H new ATOM 0 HB2 ASP A 86 8.663 -29.091 14.653 1.00 43.40 H new ATOM 0 HB3 ASP A 86 9.223 -28.507 13.099 1.00 43.40 H new ATOM 1331 N LEU A 87 11.797 -27.870 14.337 1.00 22.35 N ATOM 1332 CA LEU A 87 12.773 -26.841 13.996 1.00 14.55 C ATOM 1333 C LEU A 87 14.179 -27.426 13.922 1.00 2.01 C ATOM 1334 O LEU A 87 14.971 -27.056 13.055 1.00 61.40 O ATOM 1335 CB LEU A 87 12.732 -25.711 15.027 1.00 50.42 C ATOM 1336 CG LEU A 87 12.137 -24.386 14.547 1.00 34.34 C ATOM 1337 CD1 LEU A 87 10.815 -24.623 13.833 1.00 42.32 C ATOM 1338 CD2 LEU A 87 11.949 -23.431 15.717 1.00 21.33 C ATOM 0 H LEU A 87 11.297 -27.704 15.211 1.00 22.35 H new ATOM 0 HA LEU A 87 12.515 -26.441 13.016 1.00 14.55 H new ATOM 0 HB2 LEU A 87 12.159 -26.053 15.889 1.00 50.42 H new ATOM 0 HB3 LEU A 87 13.749 -25.525 15.374 1.00 50.42 H new ATOM 0 HG LEU A 87 12.832 -23.932 13.841 1.00 34.34 H new ATOM 0 HD11 LEU A 87 10.406 -23.670 13.498 1.00 42.32 H new ATOM 0 HD12 LEU A 87 10.978 -25.270 12.971 1.00 42.32 H new ATOM 0 HD13 LEU A 87 10.112 -25.099 14.517 1.00 42.32 H new ATOM 0 HD21 LEU A 87 11.525 -22.494 15.357 1.00 21.33 H new ATOM 0 HD22 LEU A 87 11.274 -23.878 16.447 1.00 21.33 H new ATOM 0 HD23 LEU A 87 12.913 -23.236 16.186 1.00 21.33 H new ATOM 1350 N ASP A 88 14.482 -28.342 14.835 1.00 10.03 N ATOM 1351 CA ASP A 88 15.792 -28.982 14.872 1.00 40.45 C ATOM 1352 C ASP A 88 16.148 -29.569 13.509 1.00 11.13 C ATOM 1353 O ASP A 88 17.323 -29.709 13.171 1.00 74.53 O ATOM 1354 CB ASP A 88 15.818 -30.079 15.936 1.00 21.15 C ATOM 1355 CG ASP A 88 17.140 -30.820 15.972 1.00 61.44 C ATOM 1356 OD1 ASP A 88 18.194 -30.160 15.860 1.00 15.51 O ATOM 1357 OD2 ASP A 88 17.121 -32.062 16.110 1.00 42.32 O ATOM 0 H ASP A 88 13.838 -28.658 15.560 1.00 10.03 H new ATOM 0 HA ASP A 88 16.533 -28.224 15.126 1.00 40.45 H new ATOM 0 HB2 ASP A 88 15.626 -29.637 16.914 1.00 21.15 H new ATOM 0 HB3 ASP A 88 15.013 -30.788 15.743 1.00 21.15 H new ATOM 1362 N ALA A 89 15.125 -29.911 12.733 1.00 61.13 N ATOM 1363 CA ALA A 89 15.330 -30.482 11.407 1.00 31.24 C ATOM 1364 C ALA A 89 15.491 -29.388 10.357 1.00 34.50 C ATOM 1365 O ALA A 89 16.190 -29.570 9.361 1.00 40.52 O ATOM 1366 CB ALA A 89 14.172 -31.400 11.044 1.00 62.04 C ATOM 0 H ALA A 89 14.146 -29.803 12.999 1.00 61.13 H new ATOM 0 HA ALA A 89 16.250 -31.066 11.428 1.00 31.24 H new ATOM 0 HB1 ALA A 89 14.338 -31.820 10.052 1.00 62.04 H new ATOM 0 HB2 ALA A 89 14.106 -32.208 11.773 1.00 62.04 H new ATOM 0 HB3 ALA A 89 13.242 -30.831 11.047 1.00 62.04 H new ATOM 1372 N ALA A 90 14.838 -28.254 10.586 1.00 11.24 N ATOM 1373 CA ALA A 90 14.910 -27.130 9.660 1.00 31.53 C ATOM 1374 C ALA A 90 16.135 -26.266 9.940 1.00 72.23 C ATOM 1375 O ALA A 90 16.587 -25.514 9.076 1.00 72.41 O ATOM 1376 CB ALA A 90 13.641 -26.295 9.745 1.00 43.41 C ATOM 0 H ALA A 90 14.253 -28.089 11.405 1.00 11.24 H new ATOM 0 HA ALA A 90 15.003 -27.528 8.650 1.00 31.53 H new ATOM 0 HB1 ALA A 90 13.708 -25.459 9.049 1.00 43.41 H new ATOM 0 HB2 ALA A 90 12.781 -26.913 9.488 1.00 43.41 H new ATOM 0 HB3 ALA A 90 13.524 -25.914 10.759 1.00 43.41 H new ATOM 1382 N VAL A 91 16.668 -26.378 11.152 1.00 12.54 N ATOM 1383 CA VAL A 91 17.841 -25.606 11.545 1.00 30.35 C ATOM 1384 C VAL A 91 18.973 -25.776 10.538 1.00 12.42 C ATOM 1385 O VAL A 91 19.485 -24.797 9.995 1.00 62.24 O ATOM 1386 CB VAL A 91 18.344 -26.022 12.941 1.00 50.32 C ATOM 1387 CG1 VAL A 91 19.715 -25.423 13.214 1.00 25.41 C ATOM 1388 CG2 VAL A 91 17.348 -25.604 14.012 1.00 52.11 C ATOM 0 H VAL A 91 16.306 -26.996 11.879 1.00 12.54 H new ATOM 0 HA VAL A 91 17.537 -24.560 11.573 1.00 30.35 H new ATOM 0 HB VAL A 91 18.436 -27.108 12.967 1.00 50.32 H new ATOM 0 HG11 VAL A 91 20.054 -25.727 14.204 1.00 25.41 H new ATOM 0 HG12 VAL A 91 20.422 -25.776 12.464 1.00 25.41 H new ATOM 0 HG13 VAL A 91 19.652 -24.336 13.170 1.00 25.41 H new ATOM 0 HG21 VAL A 91 17.719 -25.906 14.992 1.00 52.11 H new ATOM 0 HG22 VAL A 91 17.222 -24.522 13.989 1.00 52.11 H new ATOM 0 HG23 VAL A 91 16.388 -26.085 13.824 1.00 52.11 H new ATOM 1398 N SER A 92 19.358 -27.024 10.293 1.00 10.14 N ATOM 1399 CA SER A 92 20.432 -27.322 9.353 1.00 20.02 C ATOM 1400 C SER A 92 19.893 -27.432 7.930 1.00 3.11 C ATOM 1401 O SER A 92 20.485 -26.906 6.988 1.00 3.33 O ATOM 1402 CB SER A 92 21.136 -28.622 9.746 1.00 70.40 C ATOM 1403 OG SER A 92 22.205 -28.910 8.862 1.00 24.50 O ATOM 0 H SER A 92 18.942 -27.845 10.732 1.00 10.14 H new ATOM 0 HA SER A 92 21.151 -26.503 9.389 1.00 20.02 H new ATOM 0 HB2 SER A 92 21.514 -28.541 10.765 1.00 70.40 H new ATOM 0 HB3 SER A 92 20.420 -29.444 9.736 1.00 70.40 H new ATOM 0 HG SER A 92 22.640 -29.745 9.135 1.00 24.50 H new ATOM 1409 N ALA A 93 18.766 -28.120 7.782 1.00 11.04 N ATOM 1410 CA ALA A 93 18.145 -28.298 6.476 1.00 63.14 C ATOM 1411 C ALA A 93 17.783 -26.954 5.852 1.00 24.31 C ATOM 1412 O ALA A 93 18.304 -26.588 4.798 1.00 14.10 O ATOM 1413 CB ALA A 93 16.909 -29.177 6.594 1.00 61.32 C ATOM 0 H ALA A 93 18.264 -28.564 8.551 1.00 11.04 H new ATOM 0 HA ALA A 93 18.866 -28.790 5.823 1.00 63.14 H new ATOM 0 HB1 ALA A 93 16.456 -29.301 5.611 1.00 61.32 H new ATOM 0 HB2 ALA A 93 17.193 -30.153 6.989 1.00 61.32 H new ATOM 0 HB3 ALA A 93 16.192 -28.708 7.268 1.00 61.32 H new ATOM 1419 N TYR A 94 16.889 -26.225 6.509 1.00 53.41 N ATOM 1420 CA TYR A 94 16.455 -24.922 6.017 1.00 71.41 C ATOM 1421 C TYR A 94 17.642 -23.978 5.855 1.00 62.13 C ATOM 1422 O TYR A 94 17.558 -22.975 5.147 1.00 1.32 O ATOM 1423 CB TYR A 94 15.428 -24.310 6.971 1.00 42.52 C ATOM 1424 CG TYR A 94 14.464 -23.362 6.295 1.00 53.44 C ATOM 1425 CD1 TYR A 94 13.891 -23.679 5.069 1.00 64.32 C ATOM 1426 CD2 TYR A 94 14.125 -22.148 6.880 1.00 23.25 C ATOM 1427 CE1 TYR A 94 13.010 -22.816 4.447 1.00 62.12 C ATOM 1428 CE2 TYR A 94 13.244 -21.280 6.266 1.00 11.45 C ATOM 1429 CZ TYR A 94 12.689 -21.618 5.050 1.00 42.22 C ATOM 1430 OH TYR A 94 11.812 -20.755 4.434 1.00 10.32 O ATOM 0 H TYR A 94 16.450 -26.513 7.384 1.00 53.41 H new ATOM 0 HA TYR A 94 15.993 -25.066 5.040 1.00 71.41 H new ATOM 0 HB2 TYR A 94 14.863 -25.112 7.446 1.00 42.52 H new ATOM 0 HB3 TYR A 94 15.953 -23.777 7.764 1.00 42.52 H new ATOM 0 HD1 TYR A 94 14.139 -24.617 4.594 1.00 64.32 H new ATOM 0 HD2 TYR A 94 14.558 -21.879 7.832 1.00 23.25 H new ATOM 0 HE1 TYR A 94 12.575 -23.078 3.494 1.00 62.12 H new ATOM 0 HE2 TYR A 94 12.991 -20.341 6.736 1.00 11.45 H new ATOM 0 HH TYR A 94 12.064 -19.831 4.640 1.00 10.32 H new ATOM 1440 N GLN A 95 18.747 -24.309 6.515 1.00 1.54 N ATOM 1441 CA GLN A 95 19.952 -23.490 6.445 1.00 21.50 C ATOM 1442 C GLN A 95 20.599 -23.591 5.067 1.00 33.14 C ATOM 1443 O GLN A 95 21.655 -23.008 4.824 1.00 54.23 O ATOM 1444 CB GLN A 95 20.949 -23.920 7.522 1.00 24.43 C ATOM 1445 CG GLN A 95 21.096 -22.914 8.652 1.00 11.01 C ATOM 1446 CD GLN A 95 21.920 -21.705 8.254 1.00 75.21 C ATOM 1447 OE1 GLN A 95 22.682 -21.750 7.288 1.00 50.10 O ATOM 1448 NE2 GLN A 95 21.770 -20.615 8.998 1.00 71.43 N ATOM 0 H GLN A 95 18.833 -25.138 7.104 1.00 1.54 H new ATOM 0 HA GLN A 95 19.667 -22.452 6.617 1.00 21.50 H new ATOM 0 HB2 GLN A 95 20.632 -24.877 7.937 1.00 24.43 H new ATOM 0 HB3 GLN A 95 21.923 -24.080 7.060 1.00 24.43 H new ATOM 0 HG2 GLN A 95 20.107 -22.586 8.972 1.00 11.01 H new ATOM 0 HG3 GLN A 95 21.563 -23.401 9.508 1.00 11.01 H new ATOM 0 HE21 GLN A 95 21.127 -20.622 9.790 1.00 71.43 H new ATOM 0 HE22 GLN A 95 22.298 -19.770 8.778 1.00 71.43 H new ATOM 1457 N GLN A 96 19.958 -24.335 4.171 1.00 10.33 N ATOM 1458 CA GLN A 96 20.472 -24.512 2.818 1.00 23.05 C ATOM 1459 C GLN A 96 20.302 -23.236 2.000 1.00 61.51 C ATOM 1460 O GLN A 96 20.278 -23.275 0.770 1.00 1.55 O ATOM 1461 CB GLN A 96 19.758 -25.675 2.127 1.00 4.12 C ATOM 1462 CG GLN A 96 20.336 -27.037 2.476 1.00 60.12 C ATOM 1463 CD GLN A 96 21.732 -27.238 1.920 1.00 21.54 C ATOM 1464 OE1 GLN A 96 22.713 -26.748 2.481 1.00 34.02 O ATOM 1465 NE2 GLN A 96 21.830 -27.963 0.812 1.00 32.42 N ATOM 0 H GLN A 96 19.083 -24.824 4.357 1.00 10.33 H new ATOM 0 HA GLN A 96 21.536 -24.738 2.887 1.00 23.05 H new ATOM 0 HB2 GLN A 96 18.703 -25.656 2.400 1.00 4.12 H new ATOM 0 HB3 GLN A 96 19.811 -25.533 1.048 1.00 4.12 H new ATOM 0 HG2 GLN A 96 20.361 -27.150 3.560 1.00 60.12 H new ATOM 0 HG3 GLN A 96 19.679 -27.816 2.089 1.00 60.12 H new ATOM 0 HE21 GLN A 96 20.991 -28.350 0.380 1.00 32.42 H new ATOM 0 HE22 GLN A 96 22.744 -28.133 0.393 1.00 32.42 H new ATOM 1474 N GLY A 97 20.184 -22.107 2.691 1.00 11.30 N ATOM 1475 CA GLY A 97 20.017 -20.835 2.011 1.00 31.44 C ATOM 1476 C GLY A 97 18.616 -20.276 2.164 1.00 5.24 C ATOM 1477 O GLY A 97 18.102 -19.618 1.261 1.00 74.13 O ATOM 0 H GLY A 97 20.201 -22.050 3.709 1.00 11.30 H new ATOM 0 HA2 GLY A 97 20.736 -20.118 2.406 1.00 31.44 H new ATOM 0 HA3 GLY A 97 20.241 -20.960 0.952 1.00 31.44 H new ATOM 1481 N ALA A 98 17.998 -20.539 3.311 1.00 51.41 N ATOM 1482 CA ALA A 98 16.649 -20.056 3.579 1.00 32.20 C ATOM 1483 C ALA A 98 16.662 -18.934 4.612 1.00 61.42 C ATOM 1484 O ALA A 98 17.670 -18.704 5.280 1.00 44.44 O ATOM 1485 CB ALA A 98 15.763 -21.200 4.051 1.00 64.12 C ATOM 0 H ALA A 98 18.410 -21.083 4.069 1.00 51.41 H new ATOM 0 HA ALA A 98 16.243 -19.655 2.651 1.00 32.20 H new ATOM 0 HB1 ALA A 98 14.759 -20.825 4.247 1.00 64.12 H new ATOM 0 HB2 ALA A 98 15.719 -21.968 3.279 1.00 64.12 H new ATOM 0 HB3 ALA A 98 16.176 -21.627 4.965 1.00 64.12 H new ATOM 1491 N PHE A 99 15.537 -18.239 4.738 1.00 74.02 N ATOM 1492 CA PHE A 99 15.420 -17.140 5.689 1.00 54.55 C ATOM 1493 C PHE A 99 15.051 -17.657 7.076 1.00 62.01 C ATOM 1494 O PHE A 99 14.365 -18.670 7.210 1.00 33.21 O ATOM 1495 CB PHE A 99 14.370 -16.134 5.211 1.00 35.23 C ATOM 1496 CG PHE A 99 14.017 -15.101 6.243 1.00 53.23 C ATOM 1497 CD1 PHE A 99 14.719 -13.908 6.316 1.00 33.41 C ATOM 1498 CD2 PHE A 99 12.983 -15.321 7.138 1.00 31.43 C ATOM 1499 CE1 PHE A 99 14.397 -12.956 7.265 1.00 74.33 C ATOM 1500 CE2 PHE A 99 12.656 -14.373 8.089 1.00 51.31 C ATOM 1501 CZ PHE A 99 13.363 -13.188 8.151 1.00 22.23 C ATOM 0 H PHE A 99 14.693 -18.417 4.193 1.00 74.02 H new ATOM 0 HA PHE A 99 16.388 -16.643 5.752 1.00 54.55 H new ATOM 0 HB2 PHE A 99 14.740 -15.632 4.317 1.00 35.23 H new ATOM 0 HB3 PHE A 99 13.467 -16.672 4.923 1.00 35.23 H new ATOM 0 HD1 PHE A 99 15.526 -13.720 5.624 1.00 33.41 H new ATOM 0 HD2 PHE A 99 12.425 -16.245 7.092 1.00 31.43 H new ATOM 0 HE1 PHE A 99 14.953 -12.032 7.314 1.00 74.33 H new ATOM 0 HE2 PHE A 99 11.849 -14.558 8.782 1.00 51.31 H new ATOM 0 HZ PHE A 99 13.108 -12.444 8.891 1.00 22.23 H new ATOM 1511 N ASP A 100 15.513 -16.955 8.104 1.00 12.54 N ATOM 1512 CA ASP A 100 15.232 -17.342 9.482 1.00 2.52 C ATOM 1513 C ASP A 100 13.748 -17.638 9.672 1.00 71.33 C ATOM 1514 O ASP A 100 12.917 -16.730 9.663 1.00 52.11 O ATOM 1515 CB ASP A 100 15.671 -16.236 10.444 1.00 31.53 C ATOM 1516 CG ASP A 100 15.575 -16.661 11.896 1.00 32.34 C ATOM 1517 OD1 ASP A 100 16.439 -17.443 12.345 1.00 65.22 O ATOM 1518 OD2 ASP A 100 14.635 -16.211 12.585 1.00 64.22 O ATOM 0 H ASP A 100 16.084 -16.115 8.010 1.00 12.54 H new ATOM 0 HA ASP A 100 15.796 -18.249 9.701 1.00 2.52 H new ATOM 0 HB2 ASP A 100 16.698 -15.950 10.219 1.00 31.53 H new ATOM 0 HB3 ASP A 100 15.052 -15.353 10.285 1.00 31.53 H new ATOM 1523 N TYR A 101 13.422 -18.915 9.842 1.00 42.24 N ATOM 1524 CA TYR A 101 12.038 -19.332 10.030 1.00 53.14 C ATOM 1525 C TYR A 101 11.441 -18.693 11.280 1.00 42.10 C ATOM 1526 O TYR A 101 12.083 -17.875 11.940 1.00 1.23 O ATOM 1527 CB TYR A 101 11.951 -20.856 10.131 1.00 5.34 C ATOM 1528 CG TYR A 101 13.010 -21.464 11.023 1.00 44.11 C ATOM 1529 CD1 TYR A 101 13.107 -21.108 12.362 1.00 23.24 C ATOM 1530 CD2 TYR A 101 13.914 -22.395 10.526 1.00 73.45 C ATOM 1531 CE1 TYR A 101 14.074 -21.661 13.180 1.00 12.21 C ATOM 1532 CE2 TYR A 101 14.883 -22.954 11.336 1.00 35.43 C ATOM 1533 CZ TYR A 101 14.959 -22.584 12.663 1.00 52.44 C ATOM 1534 OH TYR A 101 15.922 -23.137 13.474 1.00 21.54 O ATOM 0 H TYR A 101 14.098 -19.679 9.853 1.00 42.24 H new ATOM 0 HA TYR A 101 11.465 -18.999 9.165 1.00 53.14 H new ATOM 0 HB2 TYR A 101 10.967 -21.131 10.510 1.00 5.34 H new ATOM 0 HB3 TYR A 101 12.039 -21.284 9.132 1.00 5.34 H new ATOM 0 HD1 TYR A 101 12.415 -20.387 12.771 1.00 23.24 H new ATOM 0 HD2 TYR A 101 13.858 -22.687 9.488 1.00 73.45 H new ATOM 0 HE1 TYR A 101 14.136 -21.372 14.219 1.00 12.21 H new ATOM 0 HE2 TYR A 101 15.577 -23.677 10.933 1.00 35.43 H new ATOM 0 HH TYR A 101 15.591 -23.176 14.395 1.00 21.54 H new ATOM 1544 N LEU A 102 10.209 -19.072 11.600 1.00 60.53 N ATOM 1545 CA LEU A 102 9.524 -18.538 12.772 1.00 73.25 C ATOM 1546 C LEU A 102 8.695 -19.619 13.458 1.00 60.53 C ATOM 1547 O LEU A 102 7.909 -20.327 12.828 1.00 71.23 O ATOM 1548 CB LEU A 102 8.624 -17.368 12.371 1.00 2.40 C ATOM 1549 CG LEU A 102 7.421 -17.105 13.278 1.00 43.34 C ATOM 1550 CD1 LEU A 102 7.854 -16.376 14.541 1.00 72.14 C ATOM 1551 CD2 LEU A 102 6.359 -16.306 12.536 1.00 21.02 C ATOM 0 H LEU A 102 9.664 -19.747 11.064 1.00 60.53 H new ATOM 0 HA LEU A 102 10.279 -18.185 13.474 1.00 73.25 H new ATOM 0 HB2 LEU A 102 9.232 -16.464 12.336 1.00 2.40 H new ATOM 0 HB3 LEU A 102 8.259 -17.546 11.360 1.00 2.40 H new ATOM 0 HG LEU A 102 6.991 -18.064 13.566 1.00 43.34 H new ATOM 0 HD11 LEU A 102 6.985 -16.197 15.174 1.00 72.14 H new ATOM 0 HD12 LEU A 102 8.578 -16.985 15.082 1.00 72.14 H new ATOM 0 HD13 LEU A 102 8.310 -15.423 14.273 1.00 72.14 H new ATOM 0 HD21 LEU A 102 5.510 -16.128 13.196 1.00 21.02 H new ATOM 0 HD22 LEU A 102 6.778 -15.351 12.218 1.00 21.02 H new ATOM 0 HD23 LEU A 102 6.027 -16.866 11.662 1.00 21.02 H new ATOM 1563 N PRO A 103 8.872 -19.750 14.781 1.00 71.41 N ATOM 1564 CA PRO A 103 8.147 -20.741 15.582 1.00 22.22 C ATOM 1565 C PRO A 103 6.665 -20.408 15.714 1.00 21.02 C ATOM 1566 O PRO A 103 6.254 -19.265 15.513 1.00 45.13 O ATOM 1567 CB PRO A 103 8.836 -20.666 16.947 1.00 11.21 C ATOM 1568 CG PRO A 103 9.408 -19.292 17.007 1.00 11.44 C ATOM 1569 CD PRO A 103 9.792 -18.941 15.597 1.00 44.23 C ATOM 0 HA PRO A 103 8.176 -21.732 15.128 1.00 22.22 H new ATOM 0 HB2 PRO A 103 8.128 -20.836 17.758 1.00 11.21 H new ATOM 0 HB3 PRO A 103 9.614 -21.423 17.040 1.00 11.21 H new ATOM 0 HG2 PRO A 103 8.680 -18.583 17.401 1.00 11.44 H new ATOM 0 HG3 PRO A 103 10.275 -19.259 17.667 1.00 11.44 H new ATOM 0 HD2 PRO A 103 9.671 -17.876 15.401 1.00 44.23 H new ATOM 0 HD3 PRO A 103 10.834 -19.187 15.391 1.00 44.23 H new ATOM 1577 N LYS A 104 5.866 -21.413 16.054 1.00 35.25 N ATOM 1578 CA LYS A 104 4.428 -21.227 16.216 1.00 63.54 C ATOM 1579 C LYS A 104 3.990 -21.579 17.634 1.00 71.24 C ATOM 1580 O LYS A 104 4.388 -22.599 18.197 1.00 12.12 O ATOM 1581 CB LYS A 104 3.666 -22.089 15.206 1.00 13.43 C ATOM 1582 CG LYS A 104 2.357 -21.471 14.746 1.00 51.43 C ATOM 1583 CD LYS A 104 2.589 -20.180 13.978 1.00 63.33 C ATOM 1584 CE LYS A 104 1.476 -19.920 12.975 1.00 73.32 C ATOM 1585 NZ LYS A 104 0.417 -19.038 13.538 1.00 35.13 N ATOM 0 H LYS A 104 6.189 -22.366 16.223 1.00 35.25 H new ATOM 0 HA LYS A 104 4.199 -20.177 16.035 1.00 63.54 H new ATOM 0 HB2 LYS A 104 4.301 -22.263 14.337 1.00 13.43 H new ATOM 0 HB3 LYS A 104 3.462 -23.062 15.652 1.00 13.43 H new ATOM 0 HG2 LYS A 104 1.821 -22.180 14.115 1.00 51.43 H new ATOM 0 HG3 LYS A 104 1.724 -21.272 15.611 1.00 51.43 H new ATOM 0 HD2 LYS A 104 2.652 -19.346 14.677 1.00 63.33 H new ATOM 0 HD3 LYS A 104 3.545 -20.232 13.457 1.00 63.33 H new ATOM 0 HE2 LYS A 104 1.894 -19.460 12.080 1.00 73.32 H new ATOM 0 HE3 LYS A 104 1.034 -20.868 12.669 1.00 73.32 H new ATOM 0 HZ1 LYS A 104 -0.484 -19.225 13.054 1.00 35.13 H new ATOM 0 HZ2 LYS A 104 0.310 -19.229 14.555 1.00 35.13 H new ATOM 0 HZ3 LYS A 104 0.684 -18.043 13.399 1.00 35.13 H new ATOM 1599 N PRO A 105 3.149 -20.717 18.225 1.00 23.30 N ATOM 1600 CA PRO A 105 2.669 -19.500 17.564 1.00 24.02 C ATOM 1601 C PRO A 105 3.771 -18.460 17.394 1.00 65.04 C ATOM 1602 O PRO A 105 4.946 -18.739 17.638 1.00 75.34 O ATOM 1603 CB PRO A 105 1.588 -18.982 18.516 1.00 24.32 C ATOM 1604 CG PRO A 105 1.964 -19.529 19.850 1.00 64.41 C ATOM 1605 CD PRO A 105 2.603 -20.865 19.585 1.00 42.44 C ATOM 0 HA PRO A 105 2.308 -19.700 16.555 1.00 24.02 H new ATOM 0 HB2 PRO A 105 1.560 -17.892 18.528 1.00 24.32 H new ATOM 0 HB3 PRO A 105 0.598 -19.322 18.213 1.00 24.32 H new ATOM 0 HG2 PRO A 105 2.655 -18.861 20.365 1.00 64.41 H new ATOM 0 HG3 PRO A 105 1.088 -19.636 20.489 1.00 64.41 H new ATOM 0 HD2 PRO A 105 3.386 -21.087 20.310 1.00 42.44 H new ATOM 0 HD3 PRO A 105 1.877 -21.676 19.641 1.00 42.44 H new ATOM 1613 N PHE A 106 3.386 -17.260 16.974 1.00 40.43 N ATOM 1614 CA PHE A 106 4.342 -16.178 16.770 1.00 2.50 C ATOM 1615 C PHE A 106 3.734 -14.834 17.161 1.00 2.22 C ATOM 1616 O PHE A 106 2.515 -14.698 17.264 1.00 31.44 O ATOM 1617 CB PHE A 106 4.797 -16.139 15.310 1.00 40.54 C ATOM 1618 CG PHE A 106 3.678 -15.887 14.340 1.00 41.32 C ATOM 1619 CD1 PHE A 106 3.089 -14.636 14.250 1.00 4.34 C ATOM 1620 CD2 PHE A 106 3.215 -16.901 13.518 1.00 74.41 C ATOM 1621 CE1 PHE A 106 2.060 -14.400 13.359 1.00 72.43 C ATOM 1622 CE2 PHE A 106 2.186 -16.672 12.624 1.00 14.01 C ATOM 1623 CZ PHE A 106 1.607 -15.420 12.545 1.00 33.43 C ATOM 0 H PHE A 106 2.418 -17.012 16.768 1.00 40.43 H new ATOM 0 HA PHE A 106 5.206 -16.365 17.408 1.00 2.50 H new ATOM 0 HB2 PHE A 106 5.551 -15.360 15.193 1.00 40.54 H new ATOM 0 HB3 PHE A 106 5.276 -17.086 15.062 1.00 40.54 H new ATOM 0 HD1 PHE A 106 3.439 -13.835 14.885 1.00 4.34 H new ATOM 0 HD2 PHE A 106 3.663 -17.882 13.576 1.00 74.41 H new ATOM 0 HE1 PHE A 106 1.611 -13.420 13.299 1.00 72.43 H new ATOM 0 HE2 PHE A 106 1.835 -17.471 11.988 1.00 14.01 H new ATOM 0 HZ PHE A 106 0.802 -15.239 11.848 1.00 33.43 H new ATOM 1633 N ASP A 107 4.593 -13.844 17.378 1.00 12.40 N ATOM 1634 CA ASP A 107 4.142 -12.510 17.757 1.00 13.35 C ATOM 1635 C ASP A 107 3.958 -11.628 16.527 1.00 41.45 C ATOM 1636 O ASP A 107 4.930 -11.244 15.876 1.00 43.44 O ATOM 1637 CB ASP A 107 5.141 -11.864 18.718 1.00 24.24 C ATOM 1638 CG ASP A 107 4.895 -12.259 20.161 1.00 10.33 C ATOM 1639 OD1 ASP A 107 4.619 -13.450 20.411 1.00 35.41 O ATOM 1640 OD2 ASP A 107 4.978 -11.376 21.041 1.00 54.43 O ATOM 0 H ASP A 107 5.605 -13.940 17.298 1.00 12.40 H new ATOM 0 HA ASP A 107 3.179 -12.608 18.258 1.00 13.35 H new ATOM 0 HB2 ASP A 107 6.153 -12.152 18.433 1.00 24.24 H new ATOM 0 HB3 ASP A 107 5.080 -10.780 18.626 1.00 24.24 H new ATOM 1645 N ILE A 108 2.706 -11.311 16.213 1.00 23.30 N ATOM 1646 CA ILE A 108 2.396 -10.475 15.060 1.00 10.34 C ATOM 1647 C ILE A 108 3.292 -9.242 15.019 1.00 43.31 C ATOM 1648 O ILE A 108 3.621 -8.737 13.945 1.00 0.44 O ATOM 1649 CB ILE A 108 0.923 -10.025 15.072 1.00 41.24 C ATOM 1650 CG1 ILE A 108 0.014 -11.170 14.621 1.00 52.21 C ATOM 1651 CG2 ILE A 108 0.734 -8.808 14.178 1.00 22.00 C ATOM 1652 CD1 ILE A 108 -1.385 -11.090 15.190 1.00 33.33 C ATOM 0 H ILE A 108 1.890 -11.621 16.741 1.00 23.30 H new ATOM 0 HA ILE A 108 2.575 -11.081 14.172 1.00 10.34 H new ATOM 0 HB ILE A 108 0.651 -9.749 16.091 1.00 41.24 H new ATOM 0 HG12 ILE A 108 -0.045 -11.170 13.533 1.00 52.21 H new ATOM 0 HG13 ILE A 108 0.464 -12.118 14.916 1.00 52.21 H new ATOM 0 HG21 ILE A 108 -0.312 -8.502 14.197 1.00 22.00 H new ATOM 0 HG22 ILE A 108 1.358 -7.991 14.539 1.00 22.00 H new ATOM 0 HG23 ILE A 108 1.020 -9.059 13.157 1.00 22.00 H new ATOM 0 HD11 ILE A 108 -1.974 -11.933 14.828 1.00 33.33 H new ATOM 0 HD12 ILE A 108 -1.337 -11.121 16.279 1.00 33.33 H new ATOM 0 HD13 ILE A 108 -1.854 -10.158 14.874 1.00 33.33 H new ATOM 1664 N ASP A 109 3.686 -8.763 16.194 1.00 34.30 N ATOM 1665 CA ASP A 109 4.547 -7.591 16.293 1.00 50.33 C ATOM 1666 C ASP A 109 5.916 -7.869 15.681 1.00 63.34 C ATOM 1667 O ASP A 109 6.458 -7.043 14.947 1.00 74.44 O ATOM 1668 CB ASP A 109 4.704 -7.168 17.754 1.00 22.43 C ATOM 1669 CG ASP A 109 3.370 -6.968 18.446 1.00 50.44 C ATOM 1670 OD1 ASP A 109 2.848 -5.834 18.409 1.00 1.11 O ATOM 1671 OD2 ASP A 109 2.848 -7.944 19.024 1.00 40.11 O ATOM 0 H ASP A 109 3.422 -9.169 17.092 1.00 34.30 H new ATOM 0 HA ASP A 109 4.078 -6.779 15.737 1.00 50.33 H new ATOM 0 HB2 ASP A 109 5.277 -7.925 18.289 1.00 22.43 H new ATOM 0 HB3 ASP A 109 5.277 -6.242 17.801 1.00 22.43 H new ATOM 1676 N GLU A 110 6.470 -9.038 15.989 1.00 3.33 N ATOM 1677 CA GLU A 110 7.777 -9.423 15.471 1.00 64.34 C ATOM 1678 C GLU A 110 7.657 -9.988 14.058 1.00 22.11 C ATOM 1679 O GLU A 110 8.572 -9.857 13.246 1.00 65.10 O ATOM 1680 CB GLU A 110 8.431 -10.456 16.391 1.00 64.33 C ATOM 1681 CG GLU A 110 9.913 -10.213 16.623 1.00 0.43 C ATOM 1682 CD GLU A 110 10.178 -8.958 17.432 1.00 11.24 C ATOM 1683 OE1 GLU A 110 9.205 -8.369 17.949 1.00 72.14 O ATOM 1684 OE2 GLU A 110 11.357 -8.564 17.549 1.00 21.43 O ATOM 0 H GLU A 110 6.034 -9.734 16.594 1.00 3.33 H new ATOM 0 HA GLU A 110 8.403 -8.531 15.436 1.00 64.34 H new ATOM 0 HB2 GLU A 110 7.916 -10.452 17.352 1.00 64.33 H new ATOM 0 HB3 GLU A 110 8.297 -11.449 15.962 1.00 64.33 H new ATOM 0 HG2 GLU A 110 10.342 -11.071 17.140 1.00 0.43 H new ATOM 0 HG3 GLU A 110 10.420 -10.135 15.661 1.00 0.43 H new ATOM 1691 N ALA A 111 6.522 -10.617 13.773 1.00 33.13 N ATOM 1692 CA ALA A 111 6.280 -11.201 12.460 1.00 44.34 C ATOM 1693 C ALA A 111 6.160 -10.119 11.392 1.00 44.32 C ATOM 1694 O ALA A 111 6.859 -10.152 10.379 1.00 41.22 O ATOM 1695 CB ALA A 111 5.025 -12.060 12.486 1.00 20.04 C ATOM 0 H ALA A 111 5.755 -10.735 14.435 1.00 33.13 H new ATOM 0 HA ALA A 111 7.133 -11.832 12.208 1.00 44.34 H new ATOM 0 HB1 ALA A 111 4.857 -12.489 11.498 1.00 20.04 H new ATOM 0 HB2 ALA A 111 5.148 -12.862 13.214 1.00 20.04 H new ATOM 0 HB3 ALA A 111 4.169 -11.445 12.764 1.00 20.04 H new ATOM 1701 N VAL A 112 5.269 -9.160 11.625 1.00 45.02 N ATOM 1702 CA VAL A 112 5.058 -8.067 10.683 1.00 62.42 C ATOM 1703 C VAL A 112 6.384 -7.460 10.239 1.00 64.53 C ATOM 1704 O VAL A 112 6.553 -7.095 9.076 1.00 61.33 O ATOM 1705 CB VAL A 112 4.179 -6.961 11.295 1.00 42.41 C ATOM 1706 CG1 VAL A 112 4.269 -5.688 10.467 1.00 5.32 C ATOM 1707 CG2 VAL A 112 2.737 -7.430 11.411 1.00 13.30 C ATOM 0 H VAL A 112 4.682 -9.118 12.458 1.00 45.02 H new ATOM 0 HA VAL A 112 4.548 -8.489 9.817 1.00 62.42 H new ATOM 0 HB VAL A 112 4.547 -6.741 12.297 1.00 42.41 H new ATOM 0 HG11 VAL A 112 3.641 -4.918 10.915 1.00 5.32 H new ATOM 0 HG12 VAL A 112 5.303 -5.344 10.440 1.00 5.32 H new ATOM 0 HG13 VAL A 112 3.927 -5.889 9.452 1.00 5.32 H new ATOM 0 HG21 VAL A 112 2.130 -6.636 11.846 1.00 13.30 H new ATOM 0 HG22 VAL A 112 2.355 -7.679 10.421 1.00 13.30 H new ATOM 0 HG23 VAL A 112 2.692 -8.312 12.050 1.00 13.30 H new ATOM 1717 N ALA A 113 7.324 -7.356 11.173 1.00 34.33 N ATOM 1718 CA ALA A 113 8.636 -6.796 10.878 1.00 64.02 C ATOM 1719 C ALA A 113 9.567 -7.855 10.298 1.00 64.23 C ATOM 1720 O ALA A 113 10.446 -7.549 9.491 1.00 64.22 O ATOM 1721 CB ALA A 113 9.244 -6.186 12.132 1.00 23.12 C ATOM 0 H ALA A 113 7.200 -7.653 12.141 1.00 34.33 H new ATOM 0 HA ALA A 113 8.509 -6.012 10.131 1.00 64.02 H new ATOM 0 HB1 ALA A 113 10.224 -5.771 11.896 1.00 23.12 H new ATOM 0 HB2 ALA A 113 8.594 -5.393 12.503 1.00 23.12 H new ATOM 0 HB3 ALA A 113 9.350 -6.956 12.897 1.00 23.12 H new ATOM 1727 N LEU A 114 9.370 -9.101 10.713 1.00 20.35 N ATOM 1728 CA LEU A 114 10.193 -10.207 10.235 1.00 10.12 C ATOM 1729 C LEU A 114 10.127 -10.317 8.715 1.00 3.23 C ATOM 1730 O LEU A 114 11.107 -10.682 8.066 1.00 43.33 O ATOM 1731 CB LEU A 114 9.738 -11.521 10.873 1.00 13.41 C ATOM 1732 CG LEU A 114 10.481 -12.779 10.422 1.00 55.31 C ATOM 1733 CD1 LEU A 114 11.850 -12.855 11.079 1.00 13.23 C ATOM 1734 CD2 LEU A 114 9.664 -14.023 10.740 1.00 42.11 C ATOM 0 H LEU A 114 8.647 -9.371 11.380 1.00 20.35 H new ATOM 0 HA LEU A 114 11.226 -10.010 10.522 1.00 10.12 H new ATOM 0 HB2 LEU A 114 9.840 -11.431 11.954 1.00 13.41 H new ATOM 0 HB3 LEU A 114 8.677 -11.655 10.663 1.00 13.41 H new ATOM 0 HG LEU A 114 10.622 -12.727 9.342 1.00 55.31 H new ATOM 0 HD11 LEU A 114 12.364 -13.757 10.746 1.00 13.23 H new ATOM 0 HD12 LEU A 114 12.436 -11.979 10.800 1.00 13.23 H new ATOM 0 HD13 LEU A 114 11.733 -12.883 12.162 1.00 13.23 H new ATOM 0 HD21 LEU A 114 10.208 -14.909 10.412 1.00 42.11 H new ATOM 0 HD22 LEU A 114 9.491 -14.080 11.815 1.00 42.11 H new ATOM 0 HD23 LEU A 114 8.707 -13.972 10.221 1.00 42.11 H new ATOM 1746 N VAL A 115 8.966 -9.997 8.154 1.00 52.35 N ATOM 1747 CA VAL A 115 8.773 -10.056 6.710 1.00 72.14 C ATOM 1748 C VAL A 115 9.252 -8.774 6.038 1.00 64.42 C ATOM 1749 O VAL A 115 9.760 -8.802 4.917 1.00 34.21 O ATOM 1750 CB VAL A 115 7.293 -10.288 6.350 1.00 22.42 C ATOM 1751 CG1 VAL A 115 6.428 -9.163 6.896 1.00 32.14 C ATOM 1752 CG2 VAL A 115 7.125 -10.418 4.844 1.00 63.22 C ATOM 0 H VAL A 115 8.145 -9.694 8.677 1.00 52.35 H new ATOM 0 HA VAL A 115 9.364 -10.896 6.347 1.00 72.14 H new ATOM 0 HB VAL A 115 6.967 -11.221 6.810 1.00 22.42 H new ATOM 0 HG11 VAL A 115 5.386 -9.344 6.632 1.00 32.14 H new ATOM 0 HG12 VAL A 115 6.526 -9.123 7.981 1.00 32.14 H new ATOM 0 HG13 VAL A 115 6.751 -8.214 6.467 1.00 32.14 H new ATOM 0 HG21 VAL A 115 6.073 -10.581 4.608 1.00 63.22 H new ATOM 0 HG22 VAL A 115 7.468 -9.504 4.359 1.00 63.22 H new ATOM 0 HG23 VAL A 115 7.713 -11.262 4.484 1.00 63.22 H new ATOM 1762 N GLU A 116 9.088 -7.652 6.731 1.00 25.14 N ATOM 1763 CA GLU A 116 9.505 -6.359 6.201 1.00 71.32 C ATOM 1764 C GLU A 116 10.975 -6.387 5.793 1.00 41.41 C ATOM 1765 O GLU A 116 11.353 -5.841 4.756 1.00 72.01 O ATOM 1766 CB GLU A 116 9.272 -5.259 7.238 1.00 44.52 C ATOM 1767 CG GLU A 116 7.925 -4.570 7.103 1.00 54.01 C ATOM 1768 CD GLU A 116 7.720 -3.481 8.138 1.00 53.01 C ATOM 1769 OE1 GLU A 116 8.660 -2.689 8.359 1.00 53.22 O ATOM 1770 OE2 GLU A 116 6.620 -3.421 8.727 1.00 43.21 O ATOM 0 H GLU A 116 8.670 -7.612 7.660 1.00 25.14 H new ATOM 0 HA GLU A 116 8.905 -6.147 5.316 1.00 71.32 H new ATOM 0 HB2 GLU A 116 9.352 -5.690 8.236 1.00 44.52 H new ATOM 0 HB3 GLU A 116 10.062 -4.514 7.148 1.00 44.52 H new ATOM 0 HG2 GLU A 116 7.840 -4.139 6.106 1.00 54.01 H new ATOM 0 HG3 GLU A 116 7.131 -5.311 7.198 1.00 54.01 H new ATOM 1777 N ARG A 117 11.800 -7.025 6.617 1.00 72.24 N ATOM 1778 CA ARG A 117 13.229 -7.122 6.343 1.00 34.54 C ATOM 1779 C ARG A 117 13.491 -8.007 5.128 1.00 33.11 C ATOM 1780 O ARG A 117 14.564 -7.953 4.529 1.00 61.32 O ATOM 1781 CB ARG A 117 13.966 -7.680 7.562 1.00 33.52 C ATOM 1782 CG ARG A 117 13.464 -9.045 8.005 1.00 64.41 C ATOM 1783 CD ARG A 117 14.441 -9.715 8.959 1.00 11.34 C ATOM 1784 NE ARG A 117 14.096 -9.469 10.357 1.00 74.00 N ATOM 1785 CZ ARG A 117 14.740 -10.018 11.381 1.00 72.34 C ATOM 1786 NH1 ARG A 117 15.758 -10.840 11.164 1.00 54.31 N ATOM 1787 NH2 ARG A 117 14.366 -9.746 12.624 1.00 3.34 N ATOM 0 H ARG A 117 11.504 -7.482 7.479 1.00 72.24 H new ATOM 0 HA ARG A 117 13.601 -6.120 6.128 1.00 34.54 H new ATOM 0 HB2 ARG A 117 15.029 -7.750 7.332 1.00 33.52 H new ATOM 0 HB3 ARG A 117 13.864 -6.979 8.390 1.00 33.52 H new ATOM 0 HG2 ARG A 117 12.495 -8.937 8.492 1.00 64.41 H new ATOM 0 HG3 ARG A 117 13.313 -9.680 7.132 1.00 64.41 H new ATOM 0 HD2 ARG A 117 14.452 -10.789 8.772 1.00 11.34 H new ATOM 0 HD3 ARG A 117 15.448 -9.347 8.764 1.00 11.34 H new ATOM 0 HE ARG A 117 13.318 -8.841 10.558 1.00 74.00 H new ATOM 0 HH11 ARG A 117 16.048 -11.052 10.209 1.00 54.31 H new ATOM 0 HH12 ARG A 117 16.251 -11.260 11.952 1.00 54.31 H new ATOM 0 HH21 ARG A 117 13.583 -9.115 12.794 1.00 3.34 H new ATOM 0 HH22 ARG A 117 14.861 -10.168 13.410 1.00 3.34 H new ATOM 1801 N ALA A 118 12.503 -8.821 4.771 1.00 55.12 N ATOM 1802 CA ALA A 118 12.626 -9.716 3.627 1.00 53.32 C ATOM 1803 C ALA A 118 12.282 -8.996 2.327 1.00 1.22 C ATOM 1804 O ALA A 118 12.937 -9.196 1.304 1.00 4.11 O ATOM 1805 CB ALA A 118 11.732 -10.933 3.810 1.00 35.14 C ATOM 0 H ALA A 118 11.608 -8.879 5.258 1.00 55.12 H new ATOM 0 HA ALA A 118 13.663 -10.046 3.566 1.00 53.32 H new ATOM 0 HB1 ALA A 118 11.834 -11.592 2.948 1.00 35.14 H new ATOM 0 HB2 ALA A 118 12.026 -11.468 4.713 1.00 35.14 H new ATOM 0 HB3 ALA A 118 10.694 -10.612 3.900 1.00 35.14 H new ATOM 1811 N ILE A 119 11.251 -8.159 2.375 1.00 43.34 N ATOM 1812 CA ILE A 119 10.822 -7.409 1.201 1.00 71.34 C ATOM 1813 C ILE A 119 11.650 -6.141 1.025 1.00 51.11 C ATOM 1814 O ILE A 119 12.150 -5.860 -0.064 1.00 42.31 O ATOM 1815 CB ILE A 119 9.332 -7.028 1.290 1.00 63.23 C ATOM 1816 CG1 ILE A 119 8.463 -8.287 1.334 1.00 3.33 C ATOM 1817 CG2 ILE A 119 8.939 -6.148 0.113 1.00 44.03 C ATOM 1818 CD1 ILE A 119 7.102 -8.059 1.953 1.00 72.31 C ATOM 0 H ILE A 119 10.698 -7.983 3.214 1.00 43.34 H new ATOM 0 HA ILE A 119 10.972 -8.060 0.339 1.00 71.34 H new ATOM 0 HB ILE A 119 9.170 -6.465 2.209 1.00 63.23 H new ATOM 0 HG12 ILE A 119 8.333 -8.665 0.320 1.00 3.33 H new ATOM 0 HG13 ILE A 119 8.985 -9.060 1.898 1.00 3.33 H new ATOM 0 HG21 ILE A 119 7.883 -5.887 0.190 1.00 44.03 H new ATOM 0 HG22 ILE A 119 9.539 -5.238 0.123 1.00 44.03 H new ATOM 0 HG23 ILE A 119 9.112 -6.687 -0.818 1.00 44.03 H new ATOM 0 HD11 ILE A 119 6.540 -8.993 1.951 1.00 72.31 H new ATOM 0 HD12 ILE A 119 7.223 -7.710 2.979 1.00 72.31 H new ATOM 0 HD13 ILE A 119 6.561 -7.309 1.376 1.00 72.31 H new ATOM 1830 N SER A 120 11.792 -5.379 2.105 1.00 72.01 N ATOM 1831 CA SER A 120 12.558 -4.139 2.070 1.00 0.21 C ATOM 1832 C SER A 120 13.971 -4.388 1.553 1.00 45.23 C ATOM 1833 O SER A 120 14.610 -3.491 1.000 1.00 75.45 O ATOM 1834 CB SER A 120 12.616 -3.511 3.464 1.00 22.32 C ATOM 1835 OG SER A 120 12.904 -2.126 3.388 1.00 14.22 O ATOM 0 H SER A 120 11.387 -5.599 3.015 1.00 72.01 H new ATOM 0 HA SER A 120 12.057 -3.450 1.390 1.00 0.21 H new ATOM 0 HB2 SER A 120 11.664 -3.660 3.973 1.00 22.32 H new ATOM 0 HB3 SER A 120 13.378 -4.012 4.060 1.00 22.32 H new ATOM 0 HG SER A 120 12.934 -1.748 4.292 1.00 14.22 H new ATOM 1841 N HIS A 121 14.455 -5.612 1.737 1.00 62.23 N ATOM 1842 CA HIS A 121 15.793 -5.981 1.288 1.00 23.03 C ATOM 1843 C HIS A 121 15.952 -5.733 -0.209 1.00 21.53 C ATOM 1844 O HIS A 121 17.065 -5.556 -0.704 1.00 3.31 O ATOM 1845 CB HIS A 121 16.074 -7.450 1.607 1.00 40.12 C ATOM 1846 CG HIS A 121 17.507 -7.842 1.413 1.00 55.42 C ATOM 1847 ND1 HIS A 121 17.931 -8.656 0.384 1.00 5.32 N ATOM 1848 CD2 HIS A 121 18.615 -7.525 2.122 1.00 11.23 C ATOM 1849 CE1 HIS A 121 19.239 -8.824 0.470 1.00 31.13 C ATOM 1850 NE2 HIS A 121 19.678 -8.148 1.516 1.00 1.24 N ATOM 0 H HIS A 121 13.941 -6.365 2.194 1.00 62.23 H new ATOM 0 HA HIS A 121 16.512 -5.358 1.819 1.00 23.03 H new ATOM 0 HB2 HIS A 121 15.788 -7.650 2.640 1.00 40.12 H new ATOM 0 HB3 HIS A 121 15.446 -8.077 0.975 1.00 40.12 H new ATOM 0 HD1 HIS A 121 17.329 -9.064 -0.331 1.00 5.32 H new ATOM 0 HD2 HIS A 121 18.656 -6.899 3.001 1.00 11.23 H new ATOM 0 HE1 HIS A 121 19.846 -9.414 -0.201 1.00 31.13 H new ATOM 1858 N TYR A 122 14.833 -5.724 -0.924 1.00 33.02 N ATOM 1859 CA TYR A 122 14.848 -5.502 -2.365 1.00 1.43 C ATOM 1860 C TYR A 122 14.247 -4.143 -2.713 1.00 32.33 C ATOM 1861 O TYR A 122 14.623 -3.523 -3.706 1.00 44.35 O ATOM 1862 CB TYR A 122 14.078 -6.612 -3.081 1.00 54.35 C ATOM 1863 CG TYR A 122 14.373 -7.995 -2.549 1.00 23.44 C ATOM 1864 CD1 TYR A 122 15.623 -8.576 -2.723 1.00 5.05 C ATOM 1865 CD2 TYR A 122 13.402 -8.722 -1.870 1.00 44.11 C ATOM 1866 CE1 TYR A 122 15.898 -9.840 -2.238 1.00 74.20 C ATOM 1867 CE2 TYR A 122 13.668 -9.986 -1.381 1.00 21.32 C ATOM 1868 CZ TYR A 122 14.917 -10.541 -1.568 1.00 31.23 C ATOM 1869 OH TYR A 122 15.187 -11.800 -1.082 1.00 75.33 O ATOM 0 H TYR A 122 13.904 -5.868 -0.529 1.00 33.02 H new ATOM 0 HA TYR A 122 15.886 -5.516 -2.699 1.00 1.43 H new ATOM 0 HB2 TYR A 122 13.009 -6.418 -2.990 1.00 54.35 H new ATOM 0 HB3 TYR A 122 14.319 -6.582 -4.144 1.00 54.35 H new ATOM 0 HD1 TYR A 122 16.393 -8.030 -3.247 1.00 5.05 H new ATOM 0 HD2 TYR A 122 12.423 -8.291 -1.722 1.00 44.11 H new ATOM 0 HE1 TYR A 122 16.875 -10.277 -2.383 1.00 74.20 H new ATOM 0 HE2 TYR A 122 12.902 -10.537 -0.855 1.00 21.32 H new ATOM 0 HH TYR A 122 15.060 -12.460 -1.795 1.00 75.33 H new ATOM 1879 N GLN A 123 13.311 -3.689 -1.886 1.00 54.31 N ATOM 1880 CA GLN A 123 12.657 -2.404 -2.106 1.00 34.21 C ATOM 1881 C GLN A 123 13.014 -1.415 -1.001 1.00 63.23 C ATOM 1882 O GLN A 123 12.142 -0.745 -0.450 1.00 21.02 O ATOM 1883 CB GLN A 123 11.139 -2.585 -2.173 1.00 22.43 C ATOM 1884 CG GLN A 123 10.662 -3.249 -3.454 1.00 74.31 C ATOM 1885 CD GLN A 123 9.150 -3.320 -3.547 1.00 1.33 C ATOM 1886 OE1 GLN A 123 8.506 -2.413 -4.076 1.00 22.31 O ATOM 1887 NE2 GLN A 123 8.575 -4.400 -3.031 1.00 52.23 N ATOM 0 H GLN A 123 12.989 -4.191 -1.059 1.00 54.31 H new ATOM 0 HA GLN A 123 13.011 -2.003 -3.056 1.00 34.21 H new ATOM 0 HB2 GLN A 123 10.815 -3.183 -1.321 1.00 22.43 H new ATOM 0 HB3 GLN A 123 10.661 -1.610 -2.079 1.00 22.43 H new ATOM 0 HG2 GLN A 123 11.049 -2.697 -4.311 1.00 74.31 H new ATOM 0 HG3 GLN A 123 11.073 -4.257 -3.511 1.00 74.31 H new ATOM 0 HE21 GLN A 123 9.148 -5.127 -2.602 1.00 52.23 H new ATOM 0 HE22 GLN A 123 7.561 -4.503 -3.063 1.00 52.23 H new ATOM 1896 N GLU A 124 14.302 -1.331 -0.684 1.00 5.52 N ATOM 1897 CA GLU A 124 14.774 -0.424 0.356 1.00 1.22 C ATOM 1898 C GLU A 124 14.581 1.031 -0.062 1.00 14.14 C ATOM 1899 O GLU A 124 15.227 1.931 0.472 1.00 5.43 O ATOM 1900 CB GLU A 124 16.250 -0.686 0.662 1.00 64.25 C ATOM 1901 CG GLU A 124 17.151 -0.588 -0.558 1.00 50.13 C ATOM 1902 CD GLU A 124 17.766 -1.921 -0.938 1.00 50.13 C ATOM 1903 OE1 GLU A 124 18.363 -2.573 -0.056 1.00 53.31 O ATOM 1904 OE2 GLU A 124 17.650 -2.312 -2.119 1.00 31.03 O ATOM 0 H GLU A 124 15.037 -1.879 -1.132 1.00 5.52 H new ATOM 0 HA GLU A 124 14.186 -0.607 1.255 1.00 1.22 H new ATOM 0 HB2 GLU A 124 16.589 0.028 1.412 1.00 64.25 H new ATOM 0 HB3 GLU A 124 16.351 -1.679 1.099 1.00 64.25 H new ATOM 0 HG2 GLU A 124 16.575 -0.205 -1.400 1.00 50.13 H new ATOM 0 HG3 GLU A 124 17.946 0.132 -0.361 1.00 50.13 H new TER 1911 GLU A 124