USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 838 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 GLN : amide:sc= -2.14 K(o=-3.4,f=-12!) USER MOD Set 1.2: A 97 GLN : amide:sc= -1.23 K(o=-3.4,f=-4.4) USER MOD Set 2.1: A 87 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 90 MET CE :methyl -110:sc= -0.0515 (180deg=-1.29) USER MOD Set 3.1: A 32 THR OG1 : rot -92:sc= 0.447 USER MOD Set 3.2: A 34 HIS : no HE2:sc= -0.872 K(o=-0.43,f=-5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 1:sc= 1.19 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0187 X(o=-0.019,f=0) USER MOD Single : A 15 GLN : amide:sc= 1.18 K(o=1.2,f=-0.0035) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 123:sc= 0.714 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.0244 X(o=-0.024,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 120:sc= -0.249 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.691 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0324 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -120:sc= -4.46 (180deg=-9.14!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -111:sc= -2! (180deg=-5.84!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 148:sc= 0.0499 USER MOD Single : A 85 TYR OH : rot -53:sc= 1.08 USER MOD Single : A 86 TYR OH : rot 24:sc= -3.77! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.149 K(o=-0.15,f=-0.79) USER MOD Single : A 95 ASN : amide:sc=-0.00665 X(o=-0.0067,f=0) USER MOD Single : A 103 GLN : amide:sc= -0.0929 K(o=-0.093,f=-0.98) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.363 -3.342 1.453 1.00 0.00 N ATOM 2 CA GLY A 1 -20.680 -2.834 1.798 1.00 0.00 C ATOM 3 C GLY A 1 -21.021 -1.591 0.973 1.00 0.00 C ATOM 4 O GLY A 1 -21.124 -1.663 -0.251 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.155 -4.185 2.026 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.342 -3.595 0.444 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.648 -2.610 1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.429 -3.607 1.625 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.713 -2.591 2.860 1.00 0.00 H new ATOM 8 N SER A 2 -21.186 -0.480 1.676 1.00 0.00 N ATOM 9 CA SER A 2 -21.513 0.776 1.023 1.00 0.00 C ATOM 10 C SER A 2 -21.364 1.934 2.013 1.00 0.00 C ATOM 11 O SER A 2 -21.970 1.922 3.083 1.00 0.00 O ATOM 12 CB SER A 2 -22.931 0.747 0.450 1.00 0.00 C ATOM 13 OG SER A 2 -22.987 1.293 -0.865 1.00 0.00 O ATOM 0 H SER A 2 -21.099 -0.424 2.691 1.00 0.00 H new ATOM 0 HA SER A 2 -20.819 0.922 0.195 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.293 -0.281 0.431 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.598 1.308 1.104 1.00 0.00 H new ATOM 0 HG SER A 2 -23.909 1.255 -1.196 1.00 0.00 H new ATOM 19 N SER A 3 -20.555 2.906 1.620 1.00 0.00 N ATOM 20 CA SER A 3 -20.319 4.069 2.459 1.00 0.00 C ATOM 21 C SER A 3 -19.881 5.255 1.598 1.00 0.00 C ATOM 22 O SER A 3 -18.897 5.166 0.866 1.00 0.00 O ATOM 23 CB SER A 3 -19.265 3.772 3.528 1.00 0.00 C ATOM 24 OG SER A 3 -19.635 4.293 4.801 1.00 0.00 O ATOM 0 H SER A 3 -20.054 2.913 0.731 1.00 0.00 H new ATOM 0 HA SER A 3 -21.251 4.320 2.965 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.121 2.694 3.605 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.310 4.201 3.224 1.00 0.00 H new ATOM 0 HG SER A 3 -18.938 4.081 5.456 1.00 0.00 H new ATOM 30 N GLY A 4 -20.634 6.339 1.715 1.00 0.00 N ATOM 31 CA GLY A 4 -20.336 7.542 0.956 1.00 0.00 C ATOM 32 C GLY A 4 -19.134 8.281 1.548 1.00 0.00 C ATOM 33 O GLY A 4 -19.298 9.177 2.375 1.00 0.00 O ATOM 0 H GLY A 4 -21.449 6.409 2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.131 7.280 -0.082 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.206 8.199 0.953 1.00 0.00 H new ATOM 37 N SER A 5 -17.954 7.877 1.103 1.00 0.00 N ATOM 38 CA SER A 5 -16.725 8.489 1.578 1.00 0.00 C ATOM 39 C SER A 5 -15.567 8.133 0.643 1.00 0.00 C ATOM 40 O SER A 5 -15.398 6.973 0.272 1.00 0.00 O ATOM 41 CB SER A 5 -16.407 8.047 3.008 1.00 0.00 C ATOM 42 OG SER A 5 -17.271 8.660 3.961 1.00 0.00 O ATOM 0 H SER A 5 -17.823 7.133 0.418 1.00 0.00 H new ATOM 0 HA SER A 5 -16.861 9.570 1.582 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.498 6.963 3.081 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.372 8.297 3.243 1.00 0.00 H new ATOM 0 HG SER A 5 -17.912 9.238 3.497 1.00 0.00 H new ATOM 48 N SER A 6 -14.800 9.154 0.289 1.00 0.00 N ATOM 49 CA SER A 6 -13.663 8.963 -0.595 1.00 0.00 C ATOM 50 C SER A 6 -12.362 9.256 0.154 1.00 0.00 C ATOM 51 O SER A 6 -11.521 8.373 0.314 1.00 0.00 O ATOM 52 CB SER A 6 -13.774 9.854 -1.834 1.00 0.00 C ATOM 53 OG SER A 6 -14.975 9.610 -2.562 1.00 0.00 O ATOM 0 H SER A 6 -14.944 10.115 0.598 1.00 0.00 H new ATOM 0 HA SER A 6 -13.658 7.924 -0.926 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.740 10.901 -1.532 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.915 9.681 -2.483 1.00 0.00 H new ATOM 0 HG SER A 6 -15.009 10.199 -3.344 1.00 0.00 H new ATOM 59 N GLY A 7 -12.236 10.500 0.594 1.00 0.00 N ATOM 60 CA GLY A 7 -11.052 10.920 1.322 1.00 0.00 C ATOM 61 C GLY A 7 -10.043 11.592 0.389 1.00 0.00 C ATOM 62 O GLY A 7 -9.281 10.913 -0.299 1.00 0.00 O ATOM 0 H GLY A 7 -12.935 11.230 0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.335 11.612 2.116 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.590 10.057 1.801 1.00 0.00 H new ATOM 66 N PRO A 8 -10.071 12.951 0.394 1.00 0.00 N ATOM 67 CA PRO A 8 -9.169 13.722 -0.444 1.00 0.00 C ATOM 68 C PRO A 8 -7.750 13.715 0.127 1.00 0.00 C ATOM 69 O PRO A 8 -6.795 13.386 -0.575 1.00 0.00 O ATOM 70 CB PRO A 8 -9.779 15.113 -0.504 1.00 0.00 C ATOM 71 CG PRO A 8 -10.740 15.197 0.671 1.00 0.00 C ATOM 72 CD PRO A 8 -10.960 13.788 1.195 1.00 0.00 C ATOM 0 HA PRO A 8 -9.065 13.304 -1.445 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.008 15.881 -0.434 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.301 15.270 -1.448 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -10.331 15.836 1.454 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.686 15.640 0.360 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.720 13.718 2.256 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.000 13.482 1.083 1.00 0.00 H new ATOM 80 N PHE A 9 -7.656 14.082 1.397 1.00 0.00 N ATOM 81 CA PHE A 9 -6.369 14.123 2.071 1.00 0.00 C ATOM 82 C PHE A 9 -5.351 14.928 1.261 1.00 0.00 C ATOM 83 O PHE A 9 -5.652 15.388 0.161 1.00 0.00 O ATOM 84 CB PHE A 9 -5.881 12.678 2.190 1.00 0.00 C ATOM 85 CG PHE A 9 -6.024 12.086 3.593 1.00 0.00 C ATOM 86 CD1 PHE A 9 -5.714 12.838 4.683 1.00 0.00 C ATOM 87 CD2 PHE A 9 -6.461 10.808 3.751 1.00 0.00 C ATOM 88 CE1 PHE A 9 -5.847 12.288 5.986 1.00 0.00 C ATOM 89 CE2 PHE A 9 -6.594 10.258 5.053 1.00 0.00 C ATOM 90 CZ PHE A 9 -6.284 11.010 6.143 1.00 0.00 C ATOM 0 H PHE A 9 -8.450 14.354 1.977 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.474 14.599 3.046 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.438 12.058 1.487 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.833 12.634 1.893 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.367 13.853 4.558 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -6.707 10.211 2.885 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.601 12.885 6.852 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -6.941 9.243 5.178 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.385 10.592 7.134 1.00 0.00 H new ATOM 100 N CYS A 10 -4.166 15.073 1.837 1.00 0.00 N ATOM 101 CA CYS A 10 -3.102 15.814 1.182 1.00 0.00 C ATOM 102 C CYS A 10 -1.791 15.050 1.381 1.00 0.00 C ATOM 103 O CYS A 10 -1.530 14.531 2.465 1.00 0.00 O ATOM 104 CB CYS A 10 -3.010 17.250 1.702 1.00 0.00 C ATOM 105 SG CYS A 10 -2.996 18.424 0.298 1.00 0.00 S ATOM 0 H CYS A 10 -3.920 14.690 2.750 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.315 15.896 0.116 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.855 17.463 2.357 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.106 17.372 2.298 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.920 19.640 0.750 1.00 0.00 H new ATOM 111 N ALA A 11 -1.002 15.006 0.318 1.00 0.00 N ATOM 112 CA ALA A 11 0.275 14.314 0.363 1.00 0.00 C ATOM 113 C ALA A 11 1.405 15.342 0.455 1.00 0.00 C ATOM 114 O ALA A 11 1.322 16.415 -0.141 1.00 0.00 O ATOM 115 CB ALA A 11 0.409 13.409 -0.864 1.00 0.00 C ATOM 0 H ALA A 11 -1.222 15.438 -0.579 1.00 0.00 H new ATOM 0 HA ALA A 11 0.335 13.678 1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.367 12.890 -0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.400 12.678 -0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.356 14.013 -1.769 1.00 0.00 H new ATOM 121 N MET A 12 2.433 14.978 1.206 1.00 0.00 N ATOM 122 CA MET A 12 3.578 15.855 1.384 1.00 0.00 C ATOM 123 C MET A 12 4.887 15.064 1.344 1.00 0.00 C ATOM 124 O MET A 12 5.344 14.562 2.369 1.00 0.00 O ATOM 125 CB MET A 12 3.461 16.582 2.726 1.00 0.00 C ATOM 126 CG MET A 12 4.082 17.978 2.649 1.00 0.00 C ATOM 127 SD MET A 12 3.230 19.087 3.758 1.00 0.00 S ATOM 128 CE MET A 12 3.676 20.655 3.032 1.00 0.00 C ATOM 0 H MET A 12 2.497 14.087 1.699 1.00 0.00 H new ATOM 0 HA MET A 12 3.588 16.578 0.568 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.412 16.662 3.010 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.958 16.001 3.503 1.00 0.00 H new ATOM 0 HG2 MET A 12 5.139 17.930 2.911 1.00 0.00 H new ATOM 0 HG3 MET A 12 4.023 18.355 1.628 1.00 0.00 H new ATOM 0 HE1 MET A 12 3.224 21.464 3.606 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.760 20.765 3.042 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.317 20.695 2.004 1.00 0.00 H new ATOM 138 N GLU A 13 5.452 14.978 0.149 1.00 0.00 N ATOM 139 CA GLU A 13 6.700 14.256 -0.038 1.00 0.00 C ATOM 140 C GLU A 13 7.206 14.435 -1.471 1.00 0.00 C ATOM 141 O GLU A 13 8.354 14.823 -1.684 1.00 0.00 O ATOM 142 CB GLU A 13 6.532 12.775 0.303 1.00 0.00 C ATOM 143 CG GLU A 13 7.734 12.255 1.095 1.00 0.00 C ATOM 144 CD GLU A 13 7.857 10.735 0.971 1.00 0.00 C ATOM 145 OE1 GLU A 13 8.094 10.276 -0.166 1.00 0.00 O ATOM 146 OE2 GLU A 13 7.711 10.067 2.018 1.00 0.00 O ATOM 0 H GLU A 13 5.069 15.396 -0.699 1.00 0.00 H new ATOM 0 HA GLU A 13 7.443 14.670 0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.620 12.633 0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.419 12.197 -0.614 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.646 12.728 0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.629 12.530 2.144 1.00 0.00 H new ATOM 153 N ASN A 14 6.325 14.144 -2.417 1.00 0.00 N ATOM 154 CA ASN A 14 6.669 14.267 -3.823 1.00 0.00 C ATOM 155 C ASN A 14 5.463 13.868 -4.676 1.00 0.00 C ATOM 156 O ASN A 14 5.034 14.626 -5.545 1.00 0.00 O ATOM 157 CB ASN A 14 7.833 13.344 -4.189 1.00 0.00 C ATOM 158 CG ASN A 14 8.334 13.629 -5.606 1.00 0.00 C ATOM 159 OD1 ASN A 14 9.025 14.601 -5.864 1.00 0.00 O ATOM 160 ND2 ASN A 14 7.949 12.730 -6.507 1.00 0.00 N ATOM 0 H ASN A 14 5.374 13.823 -2.237 1.00 0.00 H new ATOM 0 HA ASN A 14 6.957 15.302 -4.010 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.647 13.480 -3.477 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.515 12.304 -4.114 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.232 12.831 -7.482 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.370 11.939 -6.223 1.00 0.00 H new ATOM 167 N GLN A 15 4.949 12.679 -4.397 1.00 0.00 N ATOM 168 CA GLN A 15 3.801 12.170 -5.127 1.00 0.00 C ATOM 169 C GLN A 15 2.934 11.300 -4.215 1.00 0.00 C ATOM 170 O GLN A 15 3.351 10.941 -3.114 1.00 0.00 O ATOM 171 CB GLN A 15 4.242 11.392 -6.369 1.00 0.00 C ATOM 172 CG GLN A 15 4.991 10.116 -5.980 1.00 0.00 C ATOM 173 CD GLN A 15 4.908 9.070 -7.093 1.00 0.00 C ATOM 174 OE1 GLN A 15 5.763 8.978 -7.958 1.00 0.00 O ATOM 175 NE2 GLN A 15 3.833 8.290 -7.023 1.00 0.00 N ATOM 0 H GLN A 15 5.307 12.054 -3.675 1.00 0.00 H new ATOM 0 HA GLN A 15 3.204 13.018 -5.462 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.370 11.137 -6.971 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.883 12.020 -6.987 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.035 10.351 -5.775 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.569 9.709 -5.061 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.156 8.421 -6.272 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.686 7.561 -7.721 1.00 0.00 H new ATOM 184 N VAL A 16 1.744 10.986 -4.705 1.00 0.00 N ATOM 185 CA VAL A 16 0.816 10.165 -3.947 1.00 0.00 C ATOM 186 C VAL A 16 1.182 8.690 -4.126 1.00 0.00 C ATOM 187 O VAL A 16 1.813 8.319 -5.115 1.00 0.00 O ATOM 188 CB VAL A 16 -0.622 10.478 -4.366 1.00 0.00 C ATOM 189 CG1 VAL A 16 -0.919 11.973 -4.232 1.00 0.00 C ATOM 190 CG2 VAL A 16 -0.897 9.991 -5.790 1.00 0.00 C ATOM 0 H VAL A 16 1.401 11.285 -5.618 1.00 0.00 H new ATOM 0 HA VAL A 16 0.888 10.391 -2.883 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.291 9.941 -3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.947 12.168 -4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.783 12.279 -3.195 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.239 12.538 -4.870 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.926 10.226 -6.063 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.216 10.487 -6.482 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.745 8.913 -5.841 1.00 0.00 H new ATOM 200 N LEU A 17 0.772 7.889 -3.154 1.00 0.00 N ATOM 201 CA LEU A 17 1.049 6.464 -3.191 1.00 0.00 C ATOM 202 C LEU A 17 -0.060 5.753 -3.969 1.00 0.00 C ATOM 203 O LEU A 17 -1.230 6.120 -3.864 1.00 0.00 O ATOM 204 CB LEU A 17 1.253 5.920 -1.775 1.00 0.00 C ATOM 205 CG LEU A 17 1.098 4.407 -1.609 1.00 0.00 C ATOM 206 CD1 LEU A 17 2.424 3.688 -1.868 1.00 0.00 C ATOM 207 CD2 LEU A 17 0.518 4.063 -0.236 1.00 0.00 C ATOM 0 H LEU A 17 0.250 8.200 -2.335 1.00 0.00 H new ATOM 0 HA LEU A 17 1.983 6.272 -3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.251 6.202 -1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.542 6.413 -1.112 1.00 0.00 H new ATOM 0 HG LEU A 17 0.388 4.052 -2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.286 2.614 -1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.758 3.895 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.174 4.042 -1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.418 2.982 -0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.184 4.434 0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.462 4.528 -0.128 1.00 0.00 H new ATOM 219 N VAL A 18 0.345 4.748 -4.731 1.00 0.00 N ATOM 220 CA VAL A 18 -0.600 3.982 -5.526 1.00 0.00 C ATOM 221 C VAL A 18 -0.472 2.499 -5.173 1.00 0.00 C ATOM 222 O VAL A 18 0.577 1.894 -5.389 1.00 0.00 O ATOM 223 CB VAL A 18 -0.382 4.264 -7.014 1.00 0.00 C ATOM 224 CG1 VAL A 18 -1.384 3.489 -7.871 1.00 0.00 C ATOM 225 CG2 VAL A 18 -0.457 5.765 -7.304 1.00 0.00 C ATOM 0 H VAL A 18 1.316 4.446 -4.815 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.623 4.283 -5.299 1.00 0.00 H new ATOM 0 HB VAL A 18 0.619 3.922 -7.277 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.207 3.707 -8.924 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.262 2.420 -7.696 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.398 3.787 -7.604 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.299 5.938 -8.368 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.438 6.142 -7.017 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.313 6.285 -6.733 1.00 0.00 H new ATOM 235 N ILE A 19 -1.555 1.955 -4.637 1.00 0.00 N ATOM 236 CA ILE A 19 -1.577 0.554 -4.253 1.00 0.00 C ATOM 237 C ILE A 19 -2.305 -0.254 -5.329 1.00 0.00 C ATOM 238 O ILE A 19 -3.471 0.004 -5.622 1.00 0.00 O ATOM 239 CB ILE A 19 -2.173 0.392 -2.854 1.00 0.00 C ATOM 240 CG1 ILE A 19 -1.309 1.094 -1.804 1.00 0.00 C ATOM 241 CG2 ILE A 19 -2.394 -1.085 -2.520 1.00 0.00 C ATOM 242 CD1 ILE A 19 -1.837 0.829 -0.393 1.00 0.00 C ATOM 0 H ILE A 19 -2.424 2.459 -4.460 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.563 0.160 -4.190 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.150 0.875 -2.841 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.280 0.745 -1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.297 2.167 -1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.818 -1.172 -1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.080 -1.523 -3.245 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.441 -1.613 -2.557 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.205 1.339 0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.858 1.201 -0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.825 -0.243 -0.195 1.00 0.00 H new ATOM 254 N ARG A 20 -1.586 -1.215 -5.890 1.00 0.00 N ATOM 255 CA ARG A 20 -2.149 -2.063 -6.927 1.00 0.00 C ATOM 256 C ARG A 20 -2.641 -3.381 -6.327 1.00 0.00 C ATOM 257 O ARG A 20 -1.847 -4.285 -6.068 1.00 0.00 O ATOM 258 CB ARG A 20 -1.115 -2.361 -8.016 1.00 0.00 C ATOM 259 CG ARG A 20 -1.570 -3.524 -8.899 1.00 0.00 C ATOM 260 CD ARG A 20 -0.539 -3.818 -9.991 1.00 0.00 C ATOM 261 NE ARG A 20 -0.877 -5.085 -10.678 1.00 0.00 N ATOM 262 CZ ARG A 20 0.008 -5.836 -11.347 1.00 0.00 C ATOM 263 NH1 ARG A 20 1.290 -5.452 -11.424 1.00 0.00 N ATOM 264 NH2 ARG A 20 -0.388 -6.970 -11.940 1.00 0.00 N ATOM 0 H ARG A 20 -0.618 -1.425 -5.646 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.987 -1.528 -7.373 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.961 -1.473 -8.629 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.156 -2.602 -7.556 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.720 -4.413 -8.287 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.531 -3.285 -9.355 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.516 -3.000 -10.711 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.457 -3.886 -9.553 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.844 -5.406 -10.640 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.592 -4.588 -10.973 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.964 -6.024 -11.933 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.364 -7.262 -11.882 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.286 -7.542 -12.449 1.00 0.00 H new ATOM 278 N ILE A 21 -3.948 -3.449 -6.122 1.00 0.00 N ATOM 279 CA ILE A 21 -4.556 -4.642 -5.557 1.00 0.00 C ATOM 280 C ILE A 21 -4.666 -5.716 -6.641 1.00 0.00 C ATOM 281 O ILE A 21 -5.315 -5.505 -7.665 1.00 0.00 O ATOM 282 CB ILE A 21 -5.891 -4.300 -4.892 1.00 0.00 C ATOM 283 CG1 ILE A 21 -5.675 -3.482 -3.617 1.00 0.00 C ATOM 284 CG2 ILE A 21 -6.713 -5.563 -4.631 1.00 0.00 C ATOM 285 CD1 ILE A 21 -5.798 -1.983 -3.900 1.00 0.00 C ATOM 0 H ILE A 21 -4.603 -2.697 -6.337 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.928 -5.051 -4.766 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.466 -3.679 -5.579 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.407 -3.775 -2.864 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.690 -3.698 -3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.657 -5.292 -4.158 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.913 -6.069 -5.576 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.156 -6.230 -3.973 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.640 -1.424 -2.977 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.049 -1.689 -4.635 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.793 -1.767 -4.289 1.00 0.00 H new ATOM 297 N LYS A 22 -4.022 -6.844 -6.379 1.00 0.00 N ATOM 298 CA LYS A 22 -4.040 -7.951 -7.320 1.00 0.00 C ATOM 299 C LYS A 22 -5.434 -8.581 -7.334 1.00 0.00 C ATOM 300 O LYS A 22 -5.913 -9.059 -6.307 1.00 0.00 O ATOM 301 CB LYS A 22 -2.920 -8.943 -7.001 1.00 0.00 C ATOM 302 CG LYS A 22 -1.874 -8.968 -8.117 1.00 0.00 C ATOM 303 CD LYS A 22 -2.438 -9.617 -9.383 1.00 0.00 C ATOM 304 CE LYS A 22 -2.648 -11.119 -9.181 1.00 0.00 C ATOM 305 NZ LYS A 22 -1.647 -11.891 -9.951 1.00 0.00 N ATOM 0 H LYS A 22 -3.485 -7.015 -5.529 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.841 -7.595 -8.331 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.445 -8.670 -6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.340 -9.940 -6.869 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.549 -7.951 -8.339 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.994 -9.518 -7.783 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.385 -9.146 -9.647 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.756 -9.450 -10.217 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.569 -11.364 -8.122 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.653 -11.397 -9.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.804 -12.908 -9.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.742 -11.670 -10.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.691 -11.638 -9.629 1.00 0.00 H new ATOM 319 N ILE A 23 -6.046 -8.561 -8.509 1.00 0.00 N ATOM 320 CA ILE A 23 -7.375 -9.124 -8.670 1.00 0.00 C ATOM 321 C ILE A 23 -7.259 -10.548 -9.218 1.00 0.00 C ATOM 322 O ILE A 23 -6.415 -10.822 -10.069 1.00 0.00 O ATOM 323 CB ILE A 23 -8.246 -8.204 -9.529 1.00 0.00 C ATOM 324 CG1 ILE A 23 -8.134 -6.751 -9.064 1.00 0.00 C ATOM 325 CG2 ILE A 23 -9.698 -8.688 -9.552 1.00 0.00 C ATOM 326 CD1 ILE A 23 -9.288 -6.383 -8.130 1.00 0.00 C ATOM 0 H ILE A 23 -5.645 -8.163 -9.359 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.878 -9.193 -7.706 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.877 -8.243 -10.554 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.184 -6.602 -8.550 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.136 -6.088 -9.929 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.295 -8.017 -10.169 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.739 -9.695 -9.966 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.095 -8.697 -8.537 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.184 -5.345 -7.814 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.235 -6.510 -8.654 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.269 -7.032 -7.254 1.00 0.00 H new ATOM 338 N PRO A 24 -8.141 -11.440 -8.692 1.00 0.00 N ATOM 339 CA PRO A 24 -8.145 -12.829 -9.119 1.00 0.00 C ATOM 340 C PRO A 24 -8.771 -12.974 -10.507 1.00 0.00 C ATOM 341 O PRO A 24 -9.972 -12.765 -10.675 1.00 0.00 O ATOM 342 CB PRO A 24 -8.915 -13.570 -8.039 1.00 0.00 C ATOM 343 CG PRO A 24 -9.709 -12.511 -7.292 1.00 0.00 C ATOM 344 CD PRO A 24 -9.154 -11.151 -7.682 1.00 0.00 C ATOM 0 HA PRO A 24 -7.141 -13.239 -9.226 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.576 -14.319 -8.475 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.237 -14.096 -7.367 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.767 -12.578 -7.545 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.628 -12.662 -6.216 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.936 -10.503 -8.079 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.722 -10.639 -6.823 1.00 0.00 H new ATOM 352 N ASN A 25 -7.930 -13.331 -11.467 1.00 0.00 N ATOM 353 CA ASN A 25 -8.387 -13.507 -12.835 1.00 0.00 C ATOM 354 C ASN A 25 -9.310 -12.346 -13.213 1.00 0.00 C ATOM 355 O ASN A 25 -10.525 -12.516 -13.293 1.00 0.00 O ATOM 356 CB ASN A 25 -9.176 -14.808 -12.989 1.00 0.00 C ATOM 357 CG ASN A 25 -9.136 -15.306 -14.436 1.00 0.00 C ATOM 358 OD1 ASN A 25 -8.185 -15.928 -14.879 1.00 0.00 O ATOM 359 ND2 ASN A 25 -10.219 -14.997 -15.144 1.00 0.00 N ATOM 0 H ASN A 25 -6.935 -13.503 -11.324 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.510 -13.539 -13.482 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.762 -15.569 -12.327 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.210 -14.649 -12.684 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.289 -15.284 -16.120 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.980 -14.474 -14.710 1.00 0.00 H new ATOM 366 N SER A 26 -8.697 -11.193 -13.435 1.00 0.00 N ATOM 367 CA SER A 26 -9.448 -10.005 -13.803 1.00 0.00 C ATOM 368 C SER A 26 -8.488 -8.872 -14.171 1.00 0.00 C ATOM 369 O SER A 26 -8.700 -8.170 -15.159 1.00 0.00 O ATOM 370 CB SER A 26 -10.376 -9.567 -12.669 1.00 0.00 C ATOM 371 OG SER A 26 -11.694 -9.291 -13.133 1.00 0.00 O ATOM 0 H SER A 26 -7.689 -11.056 -13.367 1.00 0.00 H new ATOM 0 HA SER A 26 -10.065 -10.245 -14.669 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.415 -10.349 -11.911 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.967 -8.678 -12.189 1.00 0.00 H new ATOM 0 HG SER A 26 -12.256 -9.016 -12.378 1.00 0.00 H new ATOM 377 N GLY A 27 -7.452 -8.729 -13.357 1.00 0.00 N ATOM 378 CA GLY A 27 -6.459 -7.693 -13.585 1.00 0.00 C ATOM 379 C GLY A 27 -5.914 -7.155 -12.260 1.00 0.00 C ATOM 380 O GLY A 27 -5.321 -7.900 -11.481 1.00 0.00 O ATOM 0 H GLY A 27 -7.279 -9.313 -12.539 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.641 -8.094 -14.183 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.903 -6.878 -14.157 1.00 0.00 H new ATOM 384 N ALA A 28 -6.135 -5.867 -12.045 1.00 0.00 N ATOM 385 CA ALA A 28 -5.674 -5.221 -10.828 1.00 0.00 C ATOM 386 C ALA A 28 -6.156 -3.769 -10.812 1.00 0.00 C ATOM 387 O ALA A 28 -6.224 -3.122 -11.856 1.00 0.00 O ATOM 388 CB ALA A 28 -4.150 -5.331 -10.738 1.00 0.00 C ATOM 0 H ALA A 28 -6.628 -5.253 -12.693 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.089 -5.715 -9.950 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.804 -4.846 -9.825 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.861 -6.382 -10.723 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.698 -4.843 -11.602 1.00 0.00 H new ATOM 394 N VAL A 29 -6.477 -3.299 -9.616 1.00 0.00 N ATOM 395 CA VAL A 29 -6.951 -1.935 -9.450 1.00 0.00 C ATOM 396 C VAL A 29 -5.929 -1.141 -8.634 1.00 0.00 C ATOM 397 O VAL A 29 -5.253 -1.696 -7.769 1.00 0.00 O ATOM 398 CB VAL A 29 -8.346 -1.938 -8.822 1.00 0.00 C ATOM 399 CG1 VAL A 29 -8.725 -0.543 -8.322 1.00 0.00 C ATOM 400 CG2 VAL A 29 -9.389 -2.471 -9.806 1.00 0.00 C ATOM 0 H VAL A 29 -6.418 -3.838 -8.752 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.047 -1.443 -10.418 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.325 -2.607 -7.962 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.721 -0.573 -7.880 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.005 -0.217 -7.571 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.720 0.157 -9.158 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.372 -2.463 -9.335 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.407 -1.840 -10.694 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.132 -3.491 -10.091 1.00 0.00 H new ATOM 410 N ASP A 30 -5.849 0.146 -8.937 1.00 0.00 N ATOM 411 CA ASP A 30 -4.921 1.023 -8.242 1.00 0.00 C ATOM 412 C ASP A 30 -5.702 1.935 -7.294 1.00 0.00 C ATOM 413 O ASP A 30 -6.530 2.731 -7.734 1.00 0.00 O ATOM 414 CB ASP A 30 -4.157 1.908 -9.228 1.00 0.00 C ATOM 415 CG ASP A 30 -4.931 3.124 -9.741 1.00 0.00 C ATOM 416 OD1 ASP A 30 -6.117 2.936 -10.089 1.00 0.00 O ATOM 417 OD2 ASP A 30 -4.320 4.214 -9.773 1.00 0.00 O ATOM 0 H ASP A 30 -6.412 0.603 -9.655 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.214 0.400 -7.694 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.242 2.255 -8.748 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.858 1.300 -10.082 1.00 0.00 H new ATOM 422 N TRP A 31 -5.410 1.789 -6.010 1.00 0.00 N ATOM 423 CA TRP A 31 -6.073 2.591 -4.996 1.00 0.00 C ATOM 424 C TRP A 31 -5.278 3.886 -4.822 1.00 0.00 C ATOM 425 O TRP A 31 -4.187 3.877 -4.256 1.00 0.00 O ATOM 426 CB TRP A 31 -6.230 1.806 -3.692 1.00 0.00 C ATOM 427 CG TRP A 31 -6.569 2.674 -2.479 1.00 0.00 C ATOM 428 CD1 TRP A 31 -7.256 3.825 -2.455 1.00 0.00 C ATOM 429 CD2 TRP A 31 -6.207 2.414 -1.107 1.00 0.00 C ATOM 430 NE1 TRP A 31 -7.363 4.323 -1.172 1.00 0.00 N ATOM 431 CE2 TRP A 31 -6.705 3.437 -0.327 1.00 0.00 C ATOM 432 CE3 TRP A 31 -5.484 1.348 -0.543 1.00 0.00 C ATOM 433 CZ2 TRP A 31 -6.532 3.496 1.062 1.00 0.00 C ATOM 434 CZ3 TRP A 31 -5.320 1.422 0.845 1.00 0.00 C ATOM 435 CH2 TRP A 31 -5.814 2.446 1.645 1.00 0.00 C ATOM 0 H TRP A 31 -4.723 1.127 -5.649 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.086 2.844 -5.307 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.013 1.059 -3.822 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.305 1.266 -3.492 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -7.673 4.302 -3.329 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.837 5.183 -0.895 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.087 0.536 -1.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.931 4.308 1.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.771 0.628 1.329 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -5.644 2.431 2.711 1.00 0.00 H new ATOM 446 N THR A 32 -5.857 4.970 -5.319 1.00 0.00 N ATOM 447 CA THR A 32 -5.216 6.270 -5.226 1.00 0.00 C ATOM 448 C THR A 32 -5.060 6.684 -3.761 1.00 0.00 C ATOM 449 O THR A 32 -6.010 7.161 -3.142 1.00 0.00 O ATOM 450 CB THR A 32 -6.036 7.262 -6.053 1.00 0.00 C ATOM 451 OG1 THR A 32 -5.575 8.539 -5.621 1.00 0.00 O ATOM 452 CG2 THR A 32 -7.519 7.254 -5.676 1.00 0.00 C ATOM 0 H THR A 32 -6.763 4.974 -5.787 1.00 0.00 H new ATOM 0 HA THR A 32 -4.205 6.242 -5.633 1.00 0.00 H new ATOM 0 HB THR A 32 -5.930 7.026 -7.112 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.140 8.860 -4.887 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.055 7.976 -6.293 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.931 6.259 -5.841 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.629 7.522 -4.625 1.00 0.00 H new ATOM 460 N VAL A 33 -3.854 6.486 -3.249 1.00 0.00 N ATOM 461 CA VAL A 33 -3.562 6.832 -1.868 1.00 0.00 C ATOM 462 C VAL A 33 -2.744 8.125 -1.834 1.00 0.00 C ATOM 463 O VAL A 33 -1.650 8.186 -2.393 1.00 0.00 O ATOM 464 CB VAL A 33 -2.862 5.663 -1.172 1.00 0.00 C ATOM 465 CG1 VAL A 33 -2.533 6.008 0.281 1.00 0.00 C ATOM 466 CG2 VAL A 33 -3.707 4.390 -1.257 1.00 0.00 C ATOM 0 H VAL A 33 -3.068 6.091 -3.765 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.484 7.015 -1.316 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.922 5.476 -1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.036 5.160 0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.874 6.876 0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.454 6.234 0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.187 3.574 -0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.669 4.559 -0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.867 4.129 -2.303 1.00 0.00 H new ATOM 476 N HIS A 34 -3.306 9.125 -1.172 1.00 0.00 N ATOM 477 CA HIS A 34 -2.642 10.413 -1.057 1.00 0.00 C ATOM 478 C HIS A 34 -1.898 10.490 0.277 1.00 0.00 C ATOM 479 O HIS A 34 -0.908 11.209 0.400 1.00 0.00 O ATOM 480 CB HIS A 34 -3.640 11.557 -1.246 1.00 0.00 C ATOM 481 CG HIS A 34 -4.491 11.431 -2.487 1.00 0.00 C ATOM 482 ND1 HIS A 34 -4.676 12.474 -3.378 1.00 0.00 N ATOM 483 CD2 HIS A 34 -5.203 10.376 -2.976 1.00 0.00 C ATOM 484 CE1 HIS A 34 -5.466 12.054 -4.355 1.00 0.00 C ATOM 485 NE2 HIS A 34 -5.792 10.754 -4.104 1.00 0.00 N ATOM 0 H HIS A 34 -4.214 9.070 -0.710 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.903 10.517 -1.852 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.292 11.604 -0.374 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.094 12.499 -1.287 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -4.273 13.407 -3.296 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.275 9.399 -2.522 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.794 12.639 -5.202 1.00 0.00 H new ATOM 493 N SER A 35 -2.403 9.737 1.244 1.00 0.00 N ATOM 494 CA SER A 35 -1.798 9.711 2.565 1.00 0.00 C ATOM 495 C SER A 35 -0.919 8.468 2.713 1.00 0.00 C ATOM 496 O SER A 35 -1.076 7.702 3.663 1.00 0.00 O ATOM 497 CB SER A 35 -2.866 9.739 3.660 1.00 0.00 C ATOM 498 OG SER A 35 -3.037 11.045 4.205 1.00 0.00 O ATOM 0 H SER A 35 -3.224 9.141 1.139 1.00 0.00 H new ATOM 0 HA SER A 35 -1.179 10.601 2.676 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.814 9.390 3.251 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.588 9.048 4.455 1.00 0.00 H new ATOM 0 HG SER A 35 -3.971 11.323 4.102 1.00 0.00 H new ATOM 504 N GLY A 36 -0.013 8.306 1.760 1.00 0.00 N ATOM 505 CA GLY A 36 0.892 7.169 1.773 1.00 0.00 C ATOM 506 C GLY A 36 1.417 6.901 3.185 1.00 0.00 C ATOM 507 O GLY A 36 1.341 5.777 3.677 1.00 0.00 O ATOM 0 H GLY A 36 0.114 8.943 0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.376 6.285 1.399 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.728 7.358 1.100 1.00 0.00 H new ATOM 511 N PRO A 37 1.952 7.982 3.813 1.00 0.00 N ATOM 512 CA PRO A 37 2.490 7.876 5.159 1.00 0.00 C ATOM 513 C PRO A 37 1.366 7.788 6.193 1.00 0.00 C ATOM 514 O PRO A 37 1.447 7.005 7.138 1.00 0.00 O ATOM 515 CB PRO A 37 3.362 9.108 5.333 1.00 0.00 C ATOM 516 CG PRO A 37 2.916 10.089 4.261 1.00 0.00 C ATOM 517 CD PRO A 37 2.059 9.330 3.261 1.00 0.00 C ATOM 0 HA PRO A 37 3.074 6.968 5.308 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.240 9.535 6.328 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.417 8.859 5.220 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.350 10.908 4.705 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.780 10.531 3.765 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.078 9.791 3.150 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.520 9.318 2.273 1.00 0.00 H new ATOM 525 N GLN A 38 0.343 8.602 5.978 1.00 0.00 N ATOM 526 CA GLN A 38 -0.796 8.627 6.880 1.00 0.00 C ATOM 527 C GLN A 38 -1.800 7.537 6.497 1.00 0.00 C ATOM 528 O GLN A 38 -2.990 7.809 6.347 1.00 0.00 O ATOM 529 CB GLN A 38 -1.460 10.005 6.888 1.00 0.00 C ATOM 530 CG GLN A 38 -2.053 10.320 8.263 1.00 0.00 C ATOM 531 CD GLN A 38 -1.973 11.818 8.564 1.00 0.00 C ATOM 532 OE1 GLN A 38 -2.885 12.582 8.293 1.00 0.00 O ATOM 533 NE2 GLN A 38 -0.834 12.195 9.138 1.00 0.00 N ATOM 0 H GLN A 38 0.279 9.249 5.192 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.439 8.427 7.890 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.728 10.767 6.621 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.245 10.039 6.133 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.092 9.993 8.298 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.517 9.762 9.031 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.111 11.504 9.338 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.684 13.175 9.378 1.00 0.00 H new ATOM 542 N LEU A 39 -1.283 6.326 6.350 1.00 0.00 N ATOM 543 CA LEU A 39 -2.119 5.195 5.987 1.00 0.00 C ATOM 544 C LEU A 39 -2.025 4.127 7.079 1.00 0.00 C ATOM 545 O LEU A 39 -0.943 3.858 7.599 1.00 0.00 O ATOM 546 CB LEU A 39 -1.752 4.682 4.593 1.00 0.00 C ATOM 547 CG LEU A 39 -2.685 3.625 4.000 1.00 0.00 C ATOM 548 CD1 LEU A 39 -4.065 4.215 3.704 1.00 0.00 C ATOM 549 CD2 LEU A 39 -2.062 2.976 2.762 1.00 0.00 C ATOM 0 H LEU A 39 -0.296 6.104 6.476 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.164 5.498 5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.719 5.532 3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.745 4.267 4.634 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.824 2.838 4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.708 3.442 3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.506 4.591 4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.966 5.033 2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.746 2.228 2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.874 3.739 2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.122 2.498 3.036 1.00 0.00 H new ATOM 561 N LEU A 40 -3.174 3.546 7.393 1.00 0.00 N ATOM 562 CA LEU A 40 -3.236 2.513 8.414 1.00 0.00 C ATOM 563 C LEU A 40 -3.557 1.170 7.755 1.00 0.00 C ATOM 564 O LEU A 40 -4.134 1.130 6.669 1.00 0.00 O ATOM 565 CB LEU A 40 -4.219 2.908 9.517 1.00 0.00 C ATOM 566 CG LEU A 40 -3.868 4.170 10.308 1.00 0.00 C ATOM 567 CD1 LEU A 40 -5.103 4.738 11.011 1.00 0.00 C ATOM 568 CD2 LEU A 40 -2.723 3.903 11.287 1.00 0.00 C ATOM 0 H LEU A 40 -4.069 3.771 6.959 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.269 2.404 8.906 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.202 3.047 9.067 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.303 2.076 10.217 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.521 4.928 9.606 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.826 5.634 11.566 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.860 4.990 10.269 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.504 3.994 11.700 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.494 4.816 11.836 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.018 3.122 11.988 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.840 3.580 10.735 1.00 0.00 H new ATOM 580 N PHE A 41 -3.171 0.104 8.440 1.00 0.00 N ATOM 581 CA PHE A 41 -3.411 -1.237 7.935 1.00 0.00 C ATOM 582 C PHE A 41 -4.898 -1.458 7.652 1.00 0.00 C ATOM 583 O PHE A 41 -5.259 -2.063 6.644 1.00 0.00 O ATOM 584 CB PHE A 41 -2.961 -2.213 9.024 1.00 0.00 C ATOM 585 CG PHE A 41 -3.202 -3.684 8.681 1.00 0.00 C ATOM 586 CD1 PHE A 41 -2.612 -4.232 7.585 1.00 0.00 C ATOM 587 CD2 PHE A 41 -4.007 -4.443 9.472 1.00 0.00 C ATOM 588 CE1 PHE A 41 -2.837 -5.598 7.266 1.00 0.00 C ATOM 589 CE2 PHE A 41 -4.232 -5.809 9.153 1.00 0.00 C ATOM 590 CZ PHE A 41 -3.642 -6.357 8.057 1.00 0.00 C ATOM 0 H PHE A 41 -2.694 0.142 9.341 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.865 -1.387 7.004 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.898 -2.064 9.214 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.486 -1.976 9.949 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.973 -3.629 6.957 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.475 -4.007 10.342 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.369 -6.034 6.396 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.871 -6.412 9.781 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.813 -7.395 7.815 1.00 0.00 H new ATOM 600 N ARG A 42 -5.722 -0.956 8.560 1.00 0.00 N ATOM 601 CA ARG A 42 -7.162 -1.091 8.421 1.00 0.00 C ATOM 602 C ARG A 42 -7.633 -0.437 7.121 1.00 0.00 C ATOM 603 O ARG A 42 -8.222 -1.099 6.267 1.00 0.00 O ATOM 604 CB ARG A 42 -7.892 -0.447 9.601 1.00 0.00 C ATOM 605 CG ARG A 42 -8.494 -1.512 10.521 1.00 0.00 C ATOM 606 CD ARG A 42 -7.409 -2.441 11.067 1.00 0.00 C ATOM 607 NE ARG A 42 -7.929 -3.200 12.227 1.00 0.00 N ATOM 608 CZ ARG A 42 -8.073 -2.688 13.456 1.00 0.00 C ATOM 609 NH1 ARG A 42 -7.736 -1.413 13.695 1.00 0.00 N ATOM 610 NH2 ARG A 42 -8.553 -3.451 14.448 1.00 0.00 N ATOM 0 H ARG A 42 -5.420 -0.455 9.395 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.395 -2.156 8.402 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.199 0.177 10.166 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.681 0.208 9.231 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.016 -1.030 11.348 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.235 -2.095 9.973 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.083 -3.130 10.288 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.536 -1.859 11.364 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.194 -4.174 12.081 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.370 -0.832 12.941 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.846 -1.023 14.631 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.809 -4.422 14.267 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.663 -3.061 15.384 1.00 0.00 H new ATOM 624 N ASP A 43 -7.356 0.853 7.010 1.00 0.00 N ATOM 625 CA ASP A 43 -7.744 1.604 5.828 1.00 0.00 C ATOM 626 C ASP A 43 -7.595 0.714 4.593 1.00 0.00 C ATOM 627 O ASP A 43 -8.495 0.650 3.757 1.00 0.00 O ATOM 628 CB ASP A 43 -6.851 2.831 5.637 1.00 0.00 C ATOM 629 CG ASP A 43 -7.294 4.079 6.402 1.00 0.00 C ATOM 630 OD1 ASP A 43 -7.363 3.987 7.647 1.00 0.00 O ATOM 631 OD2 ASP A 43 -7.555 5.097 5.726 1.00 0.00 O ATOM 0 H ASP A 43 -6.867 1.398 7.720 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.777 1.927 5.958 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.837 2.575 5.945 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.810 3.070 4.574 1.00 0.00 H new ATOM 636 N VAL A 44 -6.451 0.049 4.516 1.00 0.00 N ATOM 637 CA VAL A 44 -6.173 -0.835 3.397 1.00 0.00 C ATOM 638 C VAL A 44 -7.294 -1.870 3.278 1.00 0.00 C ATOM 639 O VAL A 44 -7.901 -2.014 2.218 1.00 0.00 O ATOM 640 CB VAL A 44 -4.790 -1.468 3.561 1.00 0.00 C ATOM 641 CG1 VAL A 44 -4.503 -2.460 2.432 1.00 0.00 C ATOM 642 CG2 VAL A 44 -3.701 -0.395 3.639 1.00 0.00 C ATOM 0 H VAL A 44 -5.706 0.105 5.211 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.150 -0.273 2.464 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.784 -2.020 4.501 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.514 -2.895 2.573 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.253 -3.251 2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.538 -1.941 1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.728 -0.872 3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.708 0.197 2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.891 0.255 4.493 1.00 0.00 H new ATOM 652 N LEU A 45 -7.534 -2.563 4.381 1.00 0.00 N ATOM 653 CA LEU A 45 -8.571 -3.581 4.414 1.00 0.00 C ATOM 654 C LEU A 45 -9.921 -2.938 4.088 1.00 0.00 C ATOM 655 O LEU A 45 -10.748 -3.536 3.401 1.00 0.00 O ATOM 656 CB LEU A 45 -8.551 -4.323 5.752 1.00 0.00 C ATOM 657 CG LEU A 45 -7.350 -5.239 5.993 1.00 0.00 C ATOM 658 CD1 LEU A 45 -6.859 -5.856 4.682 1.00 0.00 C ATOM 659 CD2 LEU A 45 -6.233 -4.497 6.730 1.00 0.00 C ATOM 0 H LEU A 45 -7.029 -2.440 5.258 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.386 -4.339 3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.587 -3.586 6.554 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.459 -4.921 5.827 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.670 -6.059 6.635 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.005 -6.503 4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.661 -6.442 4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.561 -5.063 3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.391 -5.171 6.889 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.908 -3.644 6.134 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.603 -4.146 7.693 1.00 0.00 H new ATOM 671 N ASP A 46 -10.101 -1.727 4.595 1.00 0.00 N ATOM 672 CA ASP A 46 -11.336 -0.996 4.366 1.00 0.00 C ATOM 673 C ASP A 46 -11.481 -0.705 2.871 1.00 0.00 C ATOM 674 O ASP A 46 -12.593 -0.531 2.374 1.00 0.00 O ATOM 675 CB ASP A 46 -11.332 0.340 5.110 1.00 0.00 C ATOM 676 CG ASP A 46 -11.954 0.304 6.508 1.00 0.00 C ATOM 677 OD1 ASP A 46 -13.201 0.257 6.572 1.00 0.00 O ATOM 678 OD2 ASP A 46 -11.168 0.325 7.479 1.00 0.00 O ATOM 0 H ASP A 46 -9.412 -1.234 5.163 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.162 -1.607 4.729 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.303 0.688 5.196 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.868 1.075 4.509 1.00 0.00 H new ATOM 683 N VAL A 47 -10.342 -0.659 2.196 1.00 0.00 N ATOM 684 CA VAL A 47 -10.328 -0.392 0.768 1.00 0.00 C ATOM 685 C VAL A 47 -10.499 -1.707 0.005 1.00 0.00 C ATOM 686 O VAL A 47 -11.442 -1.861 -0.769 1.00 0.00 O ATOM 687 CB VAL A 47 -9.049 0.358 0.389 1.00 0.00 C ATOM 688 CG1 VAL A 47 -8.843 0.357 -1.127 1.00 0.00 C ATOM 689 CG2 VAL A 47 -9.067 1.786 0.939 1.00 0.00 C ATOM 0 H VAL A 47 -9.422 -0.802 2.612 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.162 0.254 0.492 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.207 -0.165 0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.927 0.896 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.764 -0.670 -1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.690 0.844 -1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.147 2.297 0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.922 2.323 0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.145 1.756 2.026 1.00 0.00 H new ATOM 699 N ILE A 48 -9.572 -2.621 0.251 1.00 0.00 N ATOM 700 CA ILE A 48 -9.607 -3.918 -0.403 1.00 0.00 C ATOM 701 C ILE A 48 -11.041 -4.452 -0.389 1.00 0.00 C ATOM 702 O ILE A 48 -11.535 -4.942 -1.403 1.00 0.00 O ATOM 703 CB ILE A 48 -8.591 -4.867 0.234 1.00 0.00 C ATOM 704 CG1 ILE A 48 -7.177 -4.579 -0.276 1.00 0.00 C ATOM 705 CG2 ILE A 48 -8.992 -6.327 0.015 1.00 0.00 C ATOM 706 CD1 ILE A 48 -6.142 -5.422 0.472 1.00 0.00 C ATOM 0 H ILE A 48 -8.792 -2.489 0.895 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.310 -3.826 -1.448 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.588 -4.692 1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.121 -4.791 -1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.949 -3.521 -0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.253 -6.981 0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -9.968 -6.508 0.465 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -9.041 -6.534 -1.054 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.146 -5.198 0.090 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.184 -5.189 1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.358 -6.480 0.323 1.00 0.00 H new ATOM 718 N GLY A 49 -11.669 -4.339 0.773 1.00 0.00 N ATOM 719 CA GLY A 49 -13.036 -4.805 0.933 1.00 0.00 C ATOM 720 C GLY A 49 -13.921 -4.311 -0.214 1.00 0.00 C ATOM 721 O GLY A 49 -14.829 -5.017 -0.650 1.00 0.00 O ATOM 0 H GLY A 49 -11.256 -3.932 1.612 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.051 -5.894 0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.436 -4.452 1.884 1.00 0.00 H new ATOM 725 N GLN A 50 -13.625 -3.102 -0.669 1.00 0.00 N ATOM 726 CA GLN A 50 -14.383 -2.506 -1.756 1.00 0.00 C ATOM 727 C GLN A 50 -14.004 -3.158 -3.087 1.00 0.00 C ATOM 728 O GLN A 50 -14.824 -3.234 -4.001 1.00 0.00 O ATOM 729 CB GLN A 50 -14.169 -0.992 -1.806 1.00 0.00 C ATOM 730 CG GLN A 50 -14.508 -0.345 -0.461 1.00 0.00 C ATOM 731 CD GLN A 50 -15.531 0.780 -0.636 1.00 0.00 C ATOM 732 OE1 GLN A 50 -16.669 0.565 -1.017 1.00 0.00 O ATOM 733 NE2 GLN A 50 -15.062 1.988 -0.336 1.00 0.00 N ATOM 0 H GLN A 50 -12.871 -2.519 -0.305 1.00 0.00 H new ATOM 0 HA GLN A 50 -15.443 -2.685 -1.576 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -13.133 -0.776 -2.066 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -14.791 -0.559 -2.589 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -14.904 -1.099 0.220 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -13.601 0.051 -0.005 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.098 2.097 -0.022 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.667 2.805 -0.419 1.00 0.00 H new ATOM 742 N VAL A 51 -12.761 -3.611 -3.154 1.00 0.00 N ATOM 743 CA VAL A 51 -12.263 -4.254 -4.359 1.00 0.00 C ATOM 744 C VAL A 51 -12.728 -5.712 -4.383 1.00 0.00 C ATOM 745 O VAL A 51 -13.172 -6.208 -5.417 1.00 0.00 O ATOM 746 CB VAL A 51 -10.742 -4.111 -4.438 1.00 0.00 C ATOM 747 CG1 VAL A 51 -10.209 -4.650 -5.767 1.00 0.00 C ATOM 748 CG2 VAL A 51 -10.317 -2.656 -4.226 1.00 0.00 C ATOM 0 H VAL A 51 -12.084 -3.546 -2.394 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.668 -3.768 -5.247 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.307 -4.708 -3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.125 -4.536 -5.797 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.466 -5.705 -5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.655 -4.093 -6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.231 -2.582 -4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.767 -2.030 -4.996 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.649 -2.319 -3.244 1.00 0.00 H new ATOM 758 N LEU A 52 -12.609 -6.357 -3.231 1.00 0.00 N ATOM 759 CA LEU A 52 -13.012 -7.747 -3.108 1.00 0.00 C ATOM 760 C LEU A 52 -14.102 -7.865 -2.040 1.00 0.00 C ATOM 761 O LEU A 52 -13.830 -8.275 -0.913 1.00 0.00 O ATOM 762 CB LEU A 52 -11.795 -8.636 -2.844 1.00 0.00 C ATOM 763 CG LEU A 52 -10.964 -9.016 -4.071 1.00 0.00 C ATOM 764 CD1 LEU A 52 -10.045 -7.866 -4.489 1.00 0.00 C ATOM 765 CD2 LEU A 52 -10.187 -10.311 -3.827 1.00 0.00 C ATOM 0 H LEU A 52 -12.239 -5.942 -2.375 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.442 -8.103 -4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.145 -8.126 -2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.137 -9.553 -2.363 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.646 -9.201 -4.901 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.466 -8.163 -5.363 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.646 -6.990 -4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.368 -7.625 -3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.605 -10.559 -4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.516 -10.178 -2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.886 -11.120 -3.614 1.00 0.00 H new ATOM 777 N PRO A 53 -15.345 -7.488 -2.444 1.00 0.00 N ATOM 778 CA PRO A 53 -16.477 -7.548 -1.535 1.00 0.00 C ATOM 779 C PRO A 53 -16.942 -8.991 -1.333 1.00 0.00 C ATOM 780 O PRO A 53 -17.614 -9.298 -0.349 1.00 0.00 O ATOM 781 CB PRO A 53 -17.538 -6.665 -2.171 1.00 0.00 C ATOM 782 CG PRO A 53 -17.139 -6.518 -3.630 1.00 0.00 C ATOM 783 CD PRO A 53 -15.704 -6.997 -3.771 1.00 0.00 C ATOM 0 HA PRO A 53 -16.232 -7.195 -0.533 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -18.526 -7.115 -2.080 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.584 -5.693 -1.679 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.801 -7.103 -4.268 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -17.228 -5.479 -3.947 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.621 -7.784 -4.520 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -15.045 -6.187 -4.085 1.00 0.00 H new ATOM 791 N GLU A 54 -16.567 -9.838 -2.280 1.00 0.00 N ATOM 792 CA GLU A 54 -16.938 -11.242 -2.218 1.00 0.00 C ATOM 793 C GLU A 54 -15.779 -12.073 -1.663 1.00 0.00 C ATOM 794 O GLU A 54 -15.882 -13.294 -1.556 1.00 0.00 O ATOM 795 CB GLU A 54 -17.372 -11.755 -3.592 1.00 0.00 C ATOM 796 CG GLU A 54 -17.725 -10.595 -4.525 1.00 0.00 C ATOM 797 CD GLU A 54 -18.576 -11.077 -5.702 1.00 0.00 C ATOM 798 OE1 GLU A 54 -19.388 -11.999 -5.474 1.00 0.00 O ATOM 799 OE2 GLU A 54 -18.395 -10.512 -6.802 1.00 0.00 O ATOM 0 H GLU A 54 -16.010 -9.579 -3.095 1.00 0.00 H new ATOM 0 HA GLU A 54 -17.788 -11.344 -1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -16.571 -12.349 -4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -18.234 -12.413 -3.483 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -18.266 -9.829 -3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -16.811 -10.132 -4.898 1.00 0.00 H new ATOM 806 N ALA A 55 -14.703 -11.378 -1.325 1.00 0.00 N ATOM 807 CA ALA A 55 -13.526 -12.036 -0.784 1.00 0.00 C ATOM 808 C ALA A 55 -12.896 -11.145 0.289 1.00 0.00 C ATOM 809 O ALA A 55 -11.865 -10.518 0.053 1.00 0.00 O ATOM 810 CB ALA A 55 -12.553 -12.358 -1.920 1.00 0.00 C ATOM 0 H ALA A 55 -14.622 -10.365 -1.415 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.798 -12.980 -0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.670 -12.852 -1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.039 -13.017 -2.639 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.256 -11.435 -2.417 1.00 0.00 H new ATOM 816 N THR A 56 -13.544 -11.118 1.445 1.00 0.00 N ATOM 817 CA THR A 56 -13.060 -10.314 2.554 1.00 0.00 C ATOM 818 C THR A 56 -11.589 -10.625 2.836 1.00 0.00 C ATOM 819 O THR A 56 -11.192 -11.789 2.869 1.00 0.00 O ATOM 820 CB THR A 56 -13.975 -10.566 3.754 1.00 0.00 C ATOM 821 OG1 THR A 56 -15.165 -9.848 3.439 1.00 0.00 O ATOM 822 CG2 THR A 56 -13.463 -9.896 5.031 1.00 0.00 C ATOM 0 H THR A 56 -14.399 -11.640 1.637 1.00 0.00 H new ATOM 0 HA THR A 56 -13.095 -9.251 2.317 1.00 0.00 H new ATOM 0 HB THR A 56 -14.070 -11.639 3.920 1.00 0.00 H new ATOM 0 HG1 THR A 56 -15.815 -9.958 4.164 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.149 -10.106 5.852 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.475 -10.285 5.275 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.401 -8.819 4.877 1.00 0.00 H new ATOM 830 N THR A 57 -10.820 -9.564 3.033 1.00 0.00 N ATOM 831 CA THR A 57 -9.401 -9.709 3.311 1.00 0.00 C ATOM 832 C THR A 57 -9.022 -8.928 4.571 1.00 0.00 C ATOM 833 O THR A 57 -9.571 -7.858 4.831 1.00 0.00 O ATOM 834 CB THR A 57 -8.628 -9.268 2.067 1.00 0.00 C ATOM 835 OG1 THR A 57 -8.458 -10.469 1.319 1.00 0.00 O ATOM 836 CG2 THR A 57 -7.199 -8.827 2.391 1.00 0.00 C ATOM 0 H THR A 57 -11.153 -8.600 3.006 1.00 0.00 H new ATOM 0 HA THR A 57 -9.143 -10.747 3.520 1.00 0.00 H new ATOM 0 HB THR A 57 -9.160 -8.450 1.581 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.884 -10.371 0.442 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.695 -8.524 1.473 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.226 -7.987 3.084 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.657 -9.656 2.846 1.00 0.00 H new ATOM 844 N THR A 58 -8.087 -9.493 5.320 1.00 0.00 N ATOM 845 CA THR A 58 -7.628 -8.863 6.546 1.00 0.00 C ATOM 846 C THR A 58 -6.172 -8.415 6.403 1.00 0.00 C ATOM 847 O THR A 58 -5.791 -7.360 6.908 1.00 0.00 O ATOM 848 CB THR A 58 -7.850 -9.848 7.696 1.00 0.00 C ATOM 849 OG1 THR A 58 -9.214 -9.653 8.061 1.00 0.00 O ATOM 850 CG2 THR A 58 -7.069 -9.465 8.954 1.00 0.00 C ATOM 0 H THR A 58 -7.635 -10.381 5.101 1.00 0.00 H new ATOM 0 HA THR A 58 -8.195 -7.957 6.761 1.00 0.00 H new ATOM 0 HB THR A 58 -7.558 -10.849 7.378 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.444 -10.254 8.800 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.262 -10.196 9.739 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.003 -9.447 8.729 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.385 -8.478 9.292 1.00 0.00 H new ATOM 858 N ALA A 59 -5.398 -9.239 5.713 1.00 0.00 N ATOM 859 CA ALA A 59 -3.992 -8.941 5.497 1.00 0.00 C ATOM 860 C ALA A 59 -3.703 -8.928 3.994 1.00 0.00 C ATOM 861 O ALA A 59 -4.582 -9.223 3.187 1.00 0.00 O ATOM 862 CB ALA A 59 -3.133 -9.960 6.247 1.00 0.00 C ATOM 0 H ALA A 59 -5.718 -10.113 5.296 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.744 -7.955 5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.079 -9.736 6.085 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.355 -9.909 7.313 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.352 -10.962 5.878 1.00 0.00 H new ATOM 868 N PHE A 60 -2.467 -8.584 3.665 1.00 0.00 N ATOM 869 CA PHE A 60 -2.050 -8.529 2.274 1.00 0.00 C ATOM 870 C PHE A 60 -0.531 -8.659 2.151 1.00 0.00 C ATOM 871 O PHE A 60 0.208 -8.204 3.023 1.00 0.00 O ATOM 872 CB PHE A 60 -2.479 -7.163 1.733 1.00 0.00 C ATOM 873 CG PHE A 60 -2.116 -5.990 2.646 1.00 0.00 C ATOM 874 CD1 PHE A 60 -0.916 -5.366 2.506 1.00 0.00 C ATOM 875 CD2 PHE A 60 -2.994 -5.572 3.597 1.00 0.00 C ATOM 876 CE1 PHE A 60 -0.580 -4.277 3.353 1.00 0.00 C ATOM 877 CE2 PHE A 60 -2.658 -4.483 4.444 1.00 0.00 C ATOM 878 CZ PHE A 60 -1.458 -3.859 4.304 1.00 0.00 C ATOM 0 H PHE A 60 -1.740 -8.340 4.338 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.504 -9.349 1.717 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.016 -7.008 0.758 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.558 -7.168 1.577 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.219 -5.698 1.751 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -3.947 -6.068 3.708 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.373 -3.781 3.242 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.355 -4.151 5.199 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.202 -3.031 4.948 1.00 0.00 H new ATOM 888 N GLU A 61 -0.109 -9.283 1.061 1.00 0.00 N ATOM 889 CA GLU A 61 1.309 -9.479 0.812 1.00 0.00 C ATOM 890 C GLU A 61 1.809 -8.477 -0.231 1.00 0.00 C ATOM 891 O GLU A 61 1.021 -7.943 -1.011 1.00 0.00 O ATOM 892 CB GLU A 61 1.595 -10.916 0.373 1.00 0.00 C ATOM 893 CG GLU A 61 1.196 -11.912 1.464 1.00 0.00 C ATOM 894 CD GLU A 61 1.855 -13.274 1.231 1.00 0.00 C ATOM 895 OE1 GLU A 61 3.084 -13.354 1.445 1.00 0.00 O ATOM 896 OE2 GLU A 61 1.115 -14.203 0.843 1.00 0.00 O ATOM 0 H GLU A 61 -0.725 -9.660 0.340 1.00 0.00 H new ATOM 0 HA GLU A 61 1.849 -9.304 1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.047 -11.136 -0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.655 -11.026 0.145 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.489 -11.525 2.440 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.112 -12.026 1.478 1.00 0.00 H new ATOM 903 N TYR A 62 3.114 -8.253 -0.212 1.00 0.00 N ATOM 904 CA TYR A 62 3.728 -7.325 -1.146 1.00 0.00 C ATOM 905 C TYR A 62 5.212 -7.643 -1.339 1.00 0.00 C ATOM 906 O TYR A 62 5.956 -7.764 -0.368 1.00 0.00 O ATOM 907 CB TYR A 62 3.594 -5.938 -0.514 1.00 0.00 C ATOM 908 CG TYR A 62 4.734 -5.577 0.441 1.00 0.00 C ATOM 909 CD1 TYR A 62 5.953 -5.171 -0.063 1.00 0.00 C ATOM 910 CD2 TYR A 62 4.543 -5.656 1.805 1.00 0.00 C ATOM 911 CE1 TYR A 62 7.026 -4.831 0.835 1.00 0.00 C ATOM 912 CE2 TYR A 62 5.616 -5.316 2.703 1.00 0.00 C ATOM 913 CZ TYR A 62 6.804 -4.920 2.174 1.00 0.00 C ATOM 914 OH TYR A 62 7.818 -4.598 3.022 1.00 0.00 O ATOM 0 H TYR A 62 3.764 -8.698 0.436 1.00 0.00 H new ATOM 0 HA TYR A 62 3.246 -7.388 -2.121 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.548 -5.192 -1.307 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.650 -5.886 0.028 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.102 -5.108 -1.131 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.589 -5.973 2.199 1.00 0.00 H new ATOM 0 HE1 TYR A 62 7.985 -4.513 0.454 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.480 -5.374 3.773 1.00 0.00 H new ATOM 0 HH TYR A 62 7.517 -4.707 3.948 1.00 0.00 H new ATOM 924 N GLU A 63 5.598 -7.768 -2.601 1.00 0.00 N ATOM 925 CA GLU A 63 6.980 -8.069 -2.934 1.00 0.00 C ATOM 926 C GLU A 63 7.899 -6.943 -2.457 1.00 0.00 C ATOM 927 O GLU A 63 7.690 -5.780 -2.798 1.00 0.00 O ATOM 928 CB GLU A 63 7.142 -8.310 -4.436 1.00 0.00 C ATOM 929 CG GLU A 63 6.911 -9.782 -4.784 1.00 0.00 C ATOM 930 CD GLU A 63 6.292 -9.926 -6.176 1.00 0.00 C ATOM 931 OE1 GLU A 63 5.111 -9.542 -6.314 1.00 0.00 O ATOM 932 OE2 GLU A 63 7.015 -10.417 -7.070 1.00 0.00 O ATOM 0 H GLU A 63 4.978 -7.666 -3.404 1.00 0.00 H new ATOM 0 HA GLU A 63 7.265 -8.986 -2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.436 -7.688 -4.986 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.142 -8.011 -4.750 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.857 -10.321 -4.745 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.255 -10.236 -4.042 1.00 0.00 H new ATOM 939 N ASP A 64 8.897 -7.327 -1.674 1.00 0.00 N ATOM 940 CA ASP A 64 9.848 -6.364 -1.147 1.00 0.00 C ATOM 941 C ASP A 64 10.965 -6.144 -2.169 1.00 0.00 C ATOM 942 O ASP A 64 10.805 -6.462 -3.346 1.00 0.00 O ATOM 943 CB ASP A 64 10.485 -6.871 0.148 1.00 0.00 C ATOM 944 CG ASP A 64 11.435 -8.059 -0.021 1.00 0.00 C ATOM 945 OD1 ASP A 64 11.240 -8.806 -1.004 1.00 0.00 O ATOM 946 OD2 ASP A 64 12.334 -8.193 0.837 1.00 0.00 O ATOM 0 H ASP A 64 9.067 -8.292 -1.392 1.00 0.00 H new ATOM 0 HA ASP A 64 9.312 -5.437 -0.946 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.032 -6.050 0.612 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.691 -7.155 0.839 1.00 0.00 H new ATOM 951 N GLU A 65 12.072 -5.603 -1.682 1.00 0.00 N ATOM 952 CA GLU A 65 13.215 -5.337 -2.538 1.00 0.00 C ATOM 953 C GLU A 65 13.734 -6.640 -3.150 1.00 0.00 C ATOM 954 O GLU A 65 14.209 -6.651 -4.284 1.00 0.00 O ATOM 955 CB GLU A 65 14.321 -4.614 -1.767 1.00 0.00 C ATOM 956 CG GLU A 65 14.899 -5.509 -0.669 1.00 0.00 C ATOM 957 CD GLU A 65 16.157 -4.886 -0.060 1.00 0.00 C ATOM 958 OE1 GLU A 65 16.974 -4.367 -0.852 1.00 0.00 O ATOM 959 OE2 GLU A 65 16.274 -4.944 1.183 1.00 0.00 O ATOM 0 H GLU A 65 12.201 -5.342 -0.705 1.00 0.00 H new ATOM 0 HA GLU A 65 12.894 -4.681 -3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.114 -4.317 -2.454 1.00 0.00 H new ATOM 0 HB3 GLU A 65 13.924 -3.700 -1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.152 -5.664 0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 65 15.137 -6.489 -1.082 1.00 0.00 H new ATOM 966 N ASP A 66 13.626 -7.706 -2.370 1.00 0.00 N ATOM 967 CA ASP A 66 14.079 -9.011 -2.821 1.00 0.00 C ATOM 968 C ASP A 66 12.914 -9.749 -3.484 1.00 0.00 C ATOM 969 O ASP A 66 12.857 -10.978 -3.457 1.00 0.00 O ATOM 970 CB ASP A 66 14.569 -9.860 -1.646 1.00 0.00 C ATOM 971 CG ASP A 66 16.089 -9.912 -1.476 1.00 0.00 C ATOM 972 OD1 ASP A 66 16.770 -10.088 -2.509 1.00 0.00 O ATOM 973 OD2 ASP A 66 16.535 -9.774 -0.317 1.00 0.00 O ATOM 0 H ASP A 66 13.232 -7.693 -1.429 1.00 0.00 H new ATOM 0 HA ASP A 66 14.899 -8.860 -3.523 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.129 -9.471 -0.728 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.197 -10.877 -1.772 1.00 0.00 H new ATOM 978 N GLY A 67 12.014 -8.969 -4.063 1.00 0.00 N ATOM 979 CA GLY A 67 10.854 -9.534 -4.732 1.00 0.00 C ATOM 980 C GLY A 67 10.244 -10.669 -3.907 1.00 0.00 C ATOM 981 O GLY A 67 9.628 -11.580 -4.459 1.00 0.00 O ATOM 0 H GLY A 67 12.064 -7.950 -4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.108 -8.756 -4.894 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.143 -9.908 -5.714 1.00 0.00 H new ATOM 985 N ASP A 68 10.437 -10.577 -2.600 1.00 0.00 N ATOM 986 CA ASP A 68 9.914 -11.586 -1.694 1.00 0.00 C ATOM 987 C ASP A 68 8.573 -11.112 -1.129 1.00 0.00 C ATOM 988 O ASP A 68 8.517 -10.118 -0.406 1.00 0.00 O ATOM 989 CB ASP A 68 10.866 -11.818 -0.519 1.00 0.00 C ATOM 990 CG ASP A 68 11.945 -12.876 -0.760 1.00 0.00 C ATOM 991 OD1 ASP A 68 11.561 -13.997 -1.159 1.00 0.00 O ATOM 992 OD2 ASP A 68 13.128 -12.541 -0.539 1.00 0.00 O ATOM 0 H ASP A 68 10.948 -9.820 -2.146 1.00 0.00 H new ATOM 0 HA ASP A 68 9.799 -12.514 -2.254 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.352 -10.874 -0.273 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.280 -12.111 0.352 1.00 0.00 H new ATOM 997 N ARG A 69 7.527 -11.845 -1.481 1.00 0.00 N ATOM 998 CA ARG A 69 6.191 -11.511 -1.018 1.00 0.00 C ATOM 999 C ARG A 69 6.159 -11.447 0.510 1.00 0.00 C ATOM 1000 O ARG A 69 6.290 -12.470 1.181 1.00 0.00 O ATOM 1001 CB ARG A 69 5.168 -12.543 -1.500 1.00 0.00 C ATOM 1002 CG ARG A 69 5.066 -12.541 -3.026 1.00 0.00 C ATOM 1003 CD ARG A 69 4.071 -11.484 -3.508 1.00 0.00 C ATOM 1004 NE ARG A 69 3.875 -11.602 -4.970 1.00 0.00 N ATOM 1005 CZ ARG A 69 3.237 -12.621 -5.563 1.00 0.00 C ATOM 1006 NH1 ARG A 69 2.730 -13.616 -4.822 1.00 0.00 N ATOM 1007 NH2 ARG A 69 3.107 -12.645 -6.896 1.00 0.00 N ATOM 0 H ARG A 69 7.578 -12.668 -2.081 1.00 0.00 H new ATOM 0 HA ARG A 69 5.931 -10.536 -1.431 1.00 0.00 H new ATOM 0 HB2 ARG A 69 5.455 -13.535 -1.152 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.192 -12.323 -1.066 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.047 -12.346 -3.459 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.753 -13.525 -3.374 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.118 -11.609 -2.994 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.438 -10.488 -3.261 1.00 0.00 H new ATOM 0 HE ARG A 69 4.249 -10.862 -5.564 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.830 -13.598 -3.807 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.244 -14.391 -5.273 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.493 -11.888 -7.460 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.622 -13.420 -7.347 1.00 0.00 H new ATOM 1021 N ILE A 70 5.983 -10.235 1.016 1.00 0.00 N ATOM 1022 CA ILE A 70 5.932 -10.024 2.453 1.00 0.00 C ATOM 1023 C ILE A 70 4.492 -10.195 2.938 1.00 0.00 C ATOM 1024 O ILE A 70 3.587 -10.430 2.139 1.00 0.00 O ATOM 1025 CB ILE A 70 6.548 -8.671 2.818 1.00 0.00 C ATOM 1026 CG1 ILE A 70 7.771 -8.373 1.948 1.00 0.00 C ATOM 1027 CG2 ILE A 70 6.876 -8.603 4.311 1.00 0.00 C ATOM 1028 CD1 ILE A 70 8.977 -9.202 2.394 1.00 0.00 C ATOM 0 H ILE A 70 5.874 -9.389 0.457 1.00 0.00 H new ATOM 0 HA ILE A 70 6.534 -10.772 2.970 1.00 0.00 H new ATOM 0 HB ILE A 70 5.811 -7.894 2.615 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.541 -8.591 0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.013 -7.312 2.006 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.312 -7.632 4.544 1.00 0.00 H new ATOM 0 HG22 ILE A 70 5.963 -8.739 4.891 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.587 -9.390 4.564 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.832 -8.971 1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.219 -8.964 3.430 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.740 -10.263 2.311 1.00 0.00 H new ATOM 1040 N THR A 71 4.323 -10.070 4.247 1.00 0.00 N ATOM 1041 CA THR A 71 3.008 -10.208 4.848 1.00 0.00 C ATOM 1042 C THR A 71 2.776 -9.105 5.883 1.00 0.00 C ATOM 1043 O THR A 71 3.576 -8.932 6.801 1.00 0.00 O ATOM 1044 CB THR A 71 2.899 -11.619 5.430 1.00 0.00 C ATOM 1045 OG1 THR A 71 2.991 -12.472 4.292 1.00 0.00 O ATOM 1046 CG2 THR A 71 1.511 -11.911 6.003 1.00 0.00 C ATOM 0 H THR A 71 5.075 -9.875 4.907 1.00 0.00 H new ATOM 0 HA THR A 71 2.220 -10.085 4.105 1.00 0.00 H new ATOM 0 HB THR A 71 3.648 -11.748 6.211 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.931 -13.407 4.578 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.488 -12.925 6.403 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.290 -11.202 6.800 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.764 -11.815 5.215 1.00 0.00 H new ATOM 1054 N VAL A 72 1.677 -8.387 5.700 1.00 0.00 N ATOM 1055 CA VAL A 72 1.330 -7.306 6.606 1.00 0.00 C ATOM 1056 C VAL A 72 0.092 -7.700 7.413 1.00 0.00 C ATOM 1057 O VAL A 72 -1.020 -7.705 6.887 1.00 0.00 O ATOM 1058 CB VAL A 72 1.144 -6.006 5.821 1.00 0.00 C ATOM 1059 CG1 VAL A 72 0.770 -4.851 6.754 1.00 0.00 C ATOM 1060 CG2 VAL A 72 2.396 -5.671 5.009 1.00 0.00 C ATOM 0 H VAL A 72 1.016 -8.533 4.937 1.00 0.00 H new ATOM 0 HA VAL A 72 2.137 -7.129 7.317 1.00 0.00 H new ATOM 0 HB VAL A 72 0.321 -6.152 5.121 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.644 -3.939 6.171 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.162 -5.086 7.268 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.562 -4.705 7.488 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.236 -4.742 4.461 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.245 -5.554 5.682 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.600 -6.478 4.305 1.00 0.00 H new ATOM 1070 N ARG A 73 0.326 -8.020 8.677 1.00 0.00 N ATOM 1071 CA ARG A 73 -0.757 -8.415 9.562 1.00 0.00 C ATOM 1072 C ARG A 73 -0.884 -7.423 10.720 1.00 0.00 C ATOM 1073 O ARG A 73 -1.560 -7.702 11.709 1.00 0.00 O ATOM 1074 CB ARG A 73 -0.525 -9.819 10.124 1.00 0.00 C ATOM 1075 CG ARG A 73 -0.595 -10.872 9.017 1.00 0.00 C ATOM 1076 CD ARG A 73 -0.845 -12.264 9.599 1.00 0.00 C ATOM 1077 NE ARG A 73 -1.741 -13.033 8.706 1.00 0.00 N ATOM 1078 CZ ARG A 73 -3.022 -12.716 8.474 1.00 0.00 C ATOM 1079 NH1 ARG A 73 -3.566 -11.645 9.067 1.00 0.00 N ATOM 1080 NH2 ARG A 73 -3.760 -13.471 7.648 1.00 0.00 N ATOM 0 H ARG A 73 1.250 -8.014 9.110 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.678 -8.418 8.979 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.449 -9.863 10.611 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.273 -10.037 10.886 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.392 -10.618 8.318 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.337 -10.872 8.451 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.101 -12.792 9.720 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.292 -12.178 10.590 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.359 -13.855 8.238 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.005 -11.070 9.696 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.541 -11.404 8.890 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.346 -14.287 7.196 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.735 -13.230 7.471 1.00 0.00 H new ATOM 1094 N SER A 74 -0.223 -6.286 10.559 1.00 0.00 N ATOM 1095 CA SER A 74 -0.254 -5.252 11.579 1.00 0.00 C ATOM 1096 C SER A 74 0.302 -3.943 11.013 1.00 0.00 C ATOM 1097 O SER A 74 1.040 -3.952 10.029 1.00 0.00 O ATOM 1098 CB SER A 74 0.539 -5.675 12.816 1.00 0.00 C ATOM 1099 OG SER A 74 -0.132 -5.328 14.025 1.00 0.00 O ATOM 0 H SER A 74 0.337 -6.058 9.738 1.00 0.00 H new ATOM 0 HA SER A 74 -1.290 -5.099 11.881 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.705 -6.752 12.790 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.520 -5.201 12.797 1.00 0.00 H new ATOM 0 HG SER A 74 0.406 -5.616 14.792 1.00 0.00 H new ATOM 1105 N ASP A 75 -0.074 -2.850 11.660 1.00 0.00 N ATOM 1106 CA ASP A 75 0.378 -1.536 11.235 1.00 0.00 C ATOM 1107 C ASP A 75 1.900 -1.550 11.080 1.00 0.00 C ATOM 1108 O ASP A 75 2.435 -1.014 10.111 1.00 0.00 O ATOM 1109 CB ASP A 75 0.018 -0.468 12.269 1.00 0.00 C ATOM 1110 CG ASP A 75 -1.478 -0.326 12.558 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -2.092 -1.362 12.892 1.00 0.00 O ATOM 1112 OD2 ASP A 75 -1.973 0.816 12.438 1.00 0.00 O ATOM 0 H ASP A 75 -0.687 -2.847 12.476 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.111 -1.301 10.289 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.533 -0.699 13.202 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.399 0.493 11.924 1.00 0.00 H new ATOM 1117 N GLU A 76 2.556 -2.169 12.051 1.00 0.00 N ATOM 1118 CA GLU A 76 4.006 -2.260 12.035 1.00 0.00 C ATOM 1119 C GLU A 76 4.496 -2.685 10.650 1.00 0.00 C ATOM 1120 O GLU A 76 5.283 -1.978 10.022 1.00 0.00 O ATOM 1121 CB GLU A 76 4.507 -3.224 13.113 1.00 0.00 C ATOM 1122 CG GLU A 76 5.346 -2.488 14.159 1.00 0.00 C ATOM 1123 CD GLU A 76 6.050 -3.477 15.091 1.00 0.00 C ATOM 1124 OE1 GLU A 76 7.095 -4.014 14.664 1.00 0.00 O ATOM 1125 OE2 GLU A 76 5.528 -3.673 16.210 1.00 0.00 O ATOM 0 H GLU A 76 2.110 -2.612 12.854 1.00 0.00 H new ATOM 0 HA GLU A 76 4.415 -1.274 12.257 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.658 -3.707 13.597 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.103 -4.012 12.653 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.086 -1.861 13.662 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.707 -1.825 14.742 1.00 0.00 H new ATOM 1132 N GLU A 77 4.010 -3.838 10.213 1.00 0.00 N ATOM 1133 CA GLU A 77 4.389 -4.365 8.913 1.00 0.00 C ATOM 1134 C GLU A 77 4.099 -3.337 7.818 1.00 0.00 C ATOM 1135 O GLU A 77 4.875 -3.195 6.874 1.00 0.00 O ATOM 1136 CB GLU A 77 3.673 -5.687 8.628 1.00 0.00 C ATOM 1137 CG GLU A 77 4.338 -6.844 9.376 1.00 0.00 C ATOM 1138 CD GLU A 77 4.947 -6.365 10.696 1.00 0.00 C ATOM 1139 OE1 GLU A 77 4.152 -6.083 11.618 1.00 0.00 O ATOM 1140 OE2 GLU A 77 6.194 -6.293 10.752 1.00 0.00 O ATOM 0 H GLU A 77 3.357 -4.422 10.736 1.00 0.00 H new ATOM 0 HA GLU A 77 5.461 -4.564 8.922 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.627 -5.610 8.926 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.685 -5.887 7.557 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.603 -7.625 9.572 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.115 -7.287 8.752 1.00 0.00 H new ATOM 1147 N MET A 78 2.980 -2.646 7.981 1.00 0.00 N ATOM 1148 CA MET A 78 2.578 -1.635 7.018 1.00 0.00 C ATOM 1149 C MET A 78 3.651 -0.553 6.879 1.00 0.00 C ATOM 1150 O MET A 78 4.283 -0.432 5.830 1.00 0.00 O ATOM 1151 CB MET A 78 1.264 -0.995 7.468 1.00 0.00 C ATOM 1152 CG MET A 78 0.127 -1.340 6.503 1.00 0.00 C ATOM 1153 SD MET A 78 -0.105 -0.011 5.334 1.00 0.00 S ATOM 1154 CE MET A 78 -0.819 1.224 6.407 1.00 0.00 C ATOM 0 H MET A 78 2.339 -2.767 8.766 1.00 0.00 H new ATOM 0 HA MET A 78 2.445 -2.116 6.049 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.012 -1.340 8.471 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.383 0.087 7.524 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.356 -2.265 5.974 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.794 -1.511 7.060 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.810 1.494 6.042 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.901 0.824 7.418 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.183 2.109 6.417 1.00 0.00 H new ATOM 1164 N LYS A 79 3.824 0.206 7.951 1.00 0.00 N ATOM 1165 CA LYS A 79 4.810 1.273 7.962 1.00 0.00 C ATOM 1166 C LYS A 79 6.092 0.784 7.287 1.00 0.00 C ATOM 1167 O LYS A 79 6.780 1.556 6.620 1.00 0.00 O ATOM 1168 CB LYS A 79 5.023 1.791 9.385 1.00 0.00 C ATOM 1169 CG LYS A 79 4.301 3.123 9.598 1.00 0.00 C ATOM 1170 CD LYS A 79 4.926 3.908 10.753 1.00 0.00 C ATOM 1171 CE LYS A 79 4.131 3.709 12.045 1.00 0.00 C ATOM 1172 NZ LYS A 79 5.014 3.219 13.127 1.00 0.00 N ATOM 0 H LYS A 79 3.298 0.103 8.819 1.00 0.00 H new ATOM 0 HA LYS A 79 4.453 2.127 7.387 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.657 1.056 10.102 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.089 1.917 9.574 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.347 3.716 8.684 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.247 2.940 9.807 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.956 3.584 10.902 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.958 4.968 10.501 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.669 4.650 12.343 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.323 2.997 11.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.458 3.089 13.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.435 2.310 12.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.770 3.912 13.299 1.00 0.00 H new ATOM 1186 N ALA A 80 6.376 -0.495 7.483 1.00 0.00 N ATOM 1187 CA ALA A 80 7.564 -1.097 6.901 1.00 0.00 C ATOM 1188 C ALA A 80 7.394 -1.187 5.383 1.00 0.00 C ATOM 1189 O ALA A 80 8.238 -0.704 4.631 1.00 0.00 O ATOM 1190 CB ALA A 80 7.810 -2.464 7.542 1.00 0.00 C ATOM 0 H ALA A 80 5.803 -1.132 8.037 1.00 0.00 H new ATOM 0 HA ALA A 80 8.442 -0.482 7.098 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.701 -2.915 7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.954 -2.342 8.616 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.951 -3.110 7.362 1.00 0.00 H new ATOM 1196 N MET A 81 6.296 -1.808 4.979 1.00 0.00 N ATOM 1197 CA MET A 81 6.004 -1.968 3.564 1.00 0.00 C ATOM 1198 C MET A 81 6.067 -0.623 2.837 1.00 0.00 C ATOM 1199 O MET A 81 6.578 -0.540 1.721 1.00 0.00 O ATOM 1200 CB MET A 81 4.610 -2.575 3.396 1.00 0.00 C ATOM 1201 CG MET A 81 4.233 -2.680 1.916 1.00 0.00 C ATOM 1202 SD MET A 81 2.546 -3.239 1.755 1.00 0.00 S ATOM 1203 CE MET A 81 1.679 -1.731 2.157 1.00 0.00 C ATOM 0 H MET A 81 5.597 -2.207 5.606 1.00 0.00 H new ATOM 0 HA MET A 81 6.753 -2.630 3.129 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.582 -3.564 3.853 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.877 -1.961 3.919 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.351 -1.710 1.432 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.905 -3.373 1.409 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.175 -1.846 3.117 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.390 -0.907 2.217 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.942 -1.518 1.383 1.00 0.00 H new ATOM 1213 N LEU A 82 5.540 0.397 3.498 1.00 0.00 N ATOM 1214 CA LEU A 82 5.529 1.733 2.928 1.00 0.00 C ATOM 1215 C LEU A 82 6.943 2.316 2.981 1.00 0.00 C ATOM 1216 O LEU A 82 7.347 3.055 2.084 1.00 0.00 O ATOM 1217 CB LEU A 82 4.479 2.603 3.622 1.00 0.00 C ATOM 1218 CG LEU A 82 3.023 2.328 3.241 1.00 0.00 C ATOM 1219 CD1 LEU A 82 2.088 2.584 4.425 1.00 0.00 C ATOM 1220 CD2 LEU A 82 2.617 3.135 2.006 1.00 0.00 C ATOM 0 H LEU A 82 5.117 0.325 4.423 1.00 0.00 H new ATOM 0 HA LEU A 82 5.237 1.697 1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.583 2.473 4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.700 3.648 3.404 1.00 0.00 H new ATOM 0 HG LEU A 82 2.932 1.273 2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.059 2.381 4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.362 1.930 5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.176 3.624 4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.578 2.921 1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.728 4.199 2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.255 2.861 1.166 1.00 0.00 H new ATOM 1232 N SER A 83 7.655 1.963 4.041 1.00 0.00 N ATOM 1233 CA SER A 83 9.015 2.442 4.222 1.00 0.00 C ATOM 1234 C SER A 83 9.895 1.968 3.064 1.00 0.00 C ATOM 1235 O SER A 83 10.763 2.704 2.598 1.00 0.00 O ATOM 1236 CB SER A 83 9.592 1.969 5.557 1.00 0.00 C ATOM 1237 OG SER A 83 11.015 2.037 5.577 1.00 0.00 O ATOM 0 H SER A 83 7.316 1.351 4.783 1.00 0.00 H new ATOM 0 HA SER A 83 8.996 3.532 4.232 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.188 2.581 6.364 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.275 0.943 5.746 1.00 0.00 H new ATOM 0 HG SER A 83 11.345 1.728 6.447 1.00 0.00 H new ATOM 1243 N TYR A 84 9.642 0.740 2.635 1.00 0.00 N ATOM 1244 CA TYR A 84 10.401 0.159 1.541 1.00 0.00 C ATOM 1245 C TYR A 84 9.998 0.780 0.202 1.00 0.00 C ATOM 1246 O TYR A 84 10.820 1.398 -0.473 1.00 0.00 O ATOM 1247 CB TYR A 84 10.047 -1.329 1.526 1.00 0.00 C ATOM 1248 CG TYR A 84 10.000 -1.944 0.126 1.00 0.00 C ATOM 1249 CD1 TYR A 84 11.137 -1.969 -0.656 1.00 0.00 C ATOM 1250 CD2 TYR A 84 8.820 -2.473 -0.356 1.00 0.00 C ATOM 1251 CE1 TYR A 84 11.092 -2.547 -1.974 1.00 0.00 C ATOM 1252 CE2 TYR A 84 8.775 -3.051 -1.674 1.00 0.00 C ATOM 1253 CZ TYR A 84 9.914 -3.060 -2.418 1.00 0.00 C ATOM 1254 OH TYR A 84 9.872 -3.606 -3.663 1.00 0.00 O ATOM 0 H TYR A 84 8.922 0.132 3.025 1.00 0.00 H new ATOM 0 HA TYR A 84 11.468 0.334 1.679 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.778 -1.872 2.126 1.00 0.00 H new ATOM 0 HB3 TYR A 84 9.077 -1.466 2.004 1.00 0.00 H new ATOM 0 HD1 TYR A 84 12.061 -1.555 -0.279 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.930 -2.453 0.256 1.00 0.00 H new ATOM 0 HE1 TYR A 84 11.975 -2.572 -2.596 1.00 0.00 H new ATOM 0 HE2 TYR A 84 7.858 -3.468 -2.063 1.00 0.00 H new ATOM 0 HH TYR A 84 9.222 -4.339 -3.677 1.00 0.00 H new ATOM 1264 N TYR A 85 8.731 0.596 -0.142 1.00 0.00 N ATOM 1265 CA TYR A 85 8.209 1.130 -1.388 1.00 0.00 C ATOM 1266 C TYR A 85 8.821 2.498 -1.697 1.00 0.00 C ATOM 1267 O TYR A 85 9.255 2.748 -2.820 1.00 0.00 O ATOM 1268 CB TYR A 85 6.702 1.295 -1.177 1.00 0.00 C ATOM 1269 CG TYR A 85 5.938 1.703 -2.438 1.00 0.00 C ATOM 1270 CD1 TYR A 85 5.773 0.799 -3.468 1.00 0.00 C ATOM 1271 CD2 TYR A 85 5.415 2.976 -2.546 1.00 0.00 C ATOM 1272 CE1 TYR A 85 5.054 1.184 -4.655 1.00 0.00 C ATOM 1273 CE2 TYR A 85 4.696 3.360 -3.733 1.00 0.00 C ATOM 1274 CZ TYR A 85 4.551 2.445 -4.729 1.00 0.00 C ATOM 1275 OH TYR A 85 3.872 2.808 -5.850 1.00 0.00 O ATOM 0 H TYR A 85 8.051 0.085 0.421 1.00 0.00 H new ATOM 0 HA TYR A 85 8.445 0.466 -2.219 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.293 0.356 -0.805 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.534 2.045 -0.404 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.183 -0.197 -3.384 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.545 3.684 -1.741 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.917 0.487 -5.468 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.281 4.352 -3.830 1.00 0.00 H new ATOM 0 HH TYR A 85 4.424 2.628 -6.640 1.00 0.00 H new ATOM 1285 N TYR A 86 8.836 3.348 -0.680 1.00 0.00 N ATOM 1286 CA TYR A 86 9.388 4.683 -0.829 1.00 0.00 C ATOM 1287 C TYR A 86 10.915 4.639 -0.923 1.00 0.00 C ATOM 1288 O TYR A 86 11.513 5.361 -1.719 1.00 0.00 O ATOM 1289 CB TYR A 86 8.988 5.448 0.434 1.00 0.00 C ATOM 1290 CG TYR A 86 7.477 5.562 0.640 1.00 0.00 C ATOM 1291 CD1 TYR A 86 6.634 5.629 -0.451 1.00 0.00 C ATOM 1292 CD2 TYR A 86 6.955 5.599 1.917 1.00 0.00 C ATOM 1293 CE1 TYR A 86 5.212 5.737 -0.257 1.00 0.00 C ATOM 1294 CE2 TYR A 86 5.533 5.706 2.112 1.00 0.00 C ATOM 1295 CZ TYR A 86 4.731 5.770 1.015 1.00 0.00 C ATOM 1296 OH TYR A 86 3.387 5.871 1.198 1.00 0.00 O ATOM 0 H TYR A 86 8.475 3.137 0.250 1.00 0.00 H new ATOM 0 HA TYR A 86 9.014 5.153 -1.739 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.426 4.953 1.300 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.415 6.450 0.390 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.042 5.600 -1.451 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.614 5.548 2.771 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.542 5.791 -1.102 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.112 5.735 3.106 1.00 0.00 H new ATOM 0 HH TYR A 86 2.922 5.532 0.404 1.00 0.00 H new ATOM 1306 N SER A 87 11.501 3.783 -0.099 1.00 0.00 N ATOM 1307 CA SER A 87 12.946 3.635 -0.078 1.00 0.00 C ATOM 1308 C SER A 87 13.443 3.158 -1.444 1.00 0.00 C ATOM 1309 O SER A 87 14.570 3.456 -1.838 1.00 0.00 O ATOM 1310 CB SER A 87 13.385 2.659 1.016 1.00 0.00 C ATOM 1311 OG SER A 87 14.789 2.713 1.248 1.00 0.00 O ATOM 0 H SER A 87 11.001 3.185 0.559 1.00 0.00 H new ATOM 0 HA SER A 87 13.385 4.608 0.143 1.00 0.00 H new ATOM 0 HB2 SER A 87 12.856 2.889 1.941 1.00 0.00 H new ATOM 0 HB3 SER A 87 13.103 1.645 0.731 1.00 0.00 H new ATOM 0 HG SER A 87 15.029 2.077 1.954 1.00 0.00 H new ATOM 1317 N THR A 88 12.578 2.425 -2.130 1.00 0.00 N ATOM 1318 CA THR A 88 12.914 1.904 -3.444 1.00 0.00 C ATOM 1319 C THR A 88 12.375 2.828 -4.538 1.00 0.00 C ATOM 1320 O THR A 88 13.054 3.082 -5.532 1.00 0.00 O ATOM 1321 CB THR A 88 12.379 0.474 -3.537 1.00 0.00 C ATOM 1322 OG1 THR A 88 13.349 -0.209 -4.326 1.00 0.00 O ATOM 1323 CG2 THR A 88 11.095 0.382 -4.364 1.00 0.00 C ATOM 0 H THR A 88 11.645 2.180 -1.800 1.00 0.00 H new ATOM 0 HA THR A 88 13.993 1.872 -3.593 1.00 0.00 H new ATOM 0 HB THR A 88 12.193 0.090 -2.534 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.081 -1.145 -4.435 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.758 -0.654 -4.398 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.323 1.000 -3.907 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.289 0.734 -5.377 1.00 0.00 H new ATOM 1331 N VAL A 89 11.158 3.304 -4.319 1.00 0.00 N ATOM 1332 CA VAL A 89 10.519 4.194 -5.274 1.00 0.00 C ATOM 1333 C VAL A 89 11.430 5.396 -5.532 1.00 0.00 C ATOM 1334 O VAL A 89 11.647 5.779 -6.680 1.00 0.00 O ATOM 1335 CB VAL A 89 9.131 4.593 -4.770 1.00 0.00 C ATOM 1336 CG1 VAL A 89 8.675 5.909 -5.403 1.00 0.00 C ATOM 1337 CG2 VAL A 89 8.114 3.479 -5.027 1.00 0.00 C ATOM 0 H VAL A 89 10.597 3.090 -3.494 1.00 0.00 H new ATOM 0 HA VAL A 89 10.370 3.688 -6.228 1.00 0.00 H new ATOM 0 HB VAL A 89 9.196 4.745 -3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.685 6.170 -5.028 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.380 6.700 -5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.634 5.797 -6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.135 3.788 -4.659 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.054 3.281 -6.097 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.427 2.573 -4.508 1.00 0.00 H new ATOM 1347 N MET A 90 11.937 5.958 -4.444 1.00 0.00 N ATOM 1348 CA MET A 90 12.818 7.109 -4.539 1.00 0.00 C ATOM 1349 C MET A 90 14.071 6.775 -5.351 1.00 0.00 C ATOM 1350 O MET A 90 14.728 7.669 -5.882 1.00 0.00 O ATOM 1351 CB MET A 90 13.225 7.558 -3.134 1.00 0.00 C ATOM 1352 CG MET A 90 14.346 6.676 -2.580 1.00 0.00 C ATOM 1353 SD MET A 90 14.801 7.223 -0.943 1.00 0.00 S ATOM 1354 CE MET A 90 15.968 5.947 -0.502 1.00 0.00 C ATOM 0 H MET A 90 11.754 5.638 -3.493 1.00 0.00 H new ATOM 0 HA MET A 90 12.283 7.912 -5.046 1.00 0.00 H new ATOM 0 HB2 MET A 90 13.554 8.597 -3.161 1.00 0.00 H new ATOM 0 HB3 MET A 90 12.362 7.515 -2.470 1.00 0.00 H new ATOM 0 HG2 MET A 90 14.020 5.637 -2.547 1.00 0.00 H new ATOM 0 HG3 MET A 90 15.212 6.717 -3.240 1.00 0.00 H new ATOM 0 HE1 MET A 90 15.539 5.314 0.275 1.00 0.00 H new ATOM 0 HE2 MET A 90 16.194 5.341 -1.380 1.00 0.00 H new ATOM 0 HE3 MET A 90 16.885 6.405 -0.132 1.00 0.00 H new ATOM 1364 N GLU A 91 14.365 5.485 -5.421 1.00 0.00 N ATOM 1365 CA GLU A 91 15.528 5.022 -6.160 1.00 0.00 C ATOM 1366 C GLU A 91 15.195 4.892 -7.647 1.00 0.00 C ATOM 1367 O GLU A 91 16.031 5.181 -8.502 1.00 0.00 O ATOM 1368 CB GLU A 91 16.043 3.696 -5.595 1.00 0.00 C ATOM 1369 CG GLU A 91 16.827 2.917 -6.654 1.00 0.00 C ATOM 1370 CD GLU A 91 18.053 2.239 -6.039 1.00 0.00 C ATOM 1371 OE1 GLU A 91 19.034 2.969 -5.779 1.00 0.00 O ATOM 1372 OE2 GLU A 91 17.982 1.007 -5.844 1.00 0.00 O ATOM 0 H GLU A 91 13.819 4.746 -4.979 1.00 0.00 H new ATOM 0 HA GLU A 91 16.323 5.760 -6.049 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.681 3.887 -4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 91 15.204 3.096 -5.244 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.182 2.166 -7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.141 3.593 -7.449 1.00 0.00 H new ATOM 1379 N GLN A 92 13.971 4.457 -7.911 1.00 0.00 N ATOM 1380 CA GLN A 92 13.518 4.285 -9.281 1.00 0.00 C ATOM 1381 C GLN A 92 13.454 5.639 -9.992 1.00 0.00 C ATOM 1382 O GLN A 92 13.391 5.696 -11.219 1.00 0.00 O ATOM 1383 CB GLN A 92 12.162 3.578 -9.325 1.00 0.00 C ATOM 1384 CG GLN A 92 12.321 2.072 -9.108 1.00 0.00 C ATOM 1385 CD GLN A 92 11.529 1.281 -10.151 1.00 0.00 C ATOM 1386 OE1 GLN A 92 12.043 0.867 -11.177 1.00 0.00 O ATOM 1387 NE2 GLN A 92 10.251 1.095 -9.832 1.00 0.00 N ATOM 0 H GLN A 92 13.280 4.219 -7.200 1.00 0.00 H new ATOM 0 HA GLN A 92 14.236 3.655 -9.805 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.507 3.992 -8.559 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.683 3.762 -10.287 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.375 1.802 -9.165 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.978 1.807 -8.108 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.884 1.468 -8.957 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.638 0.579 -10.463 1.00 0.00 H new ATOM 1396 N GLN A 93 13.472 6.694 -9.191 1.00 0.00 N ATOM 1397 CA GLN A 93 13.417 8.042 -9.729 1.00 0.00 C ATOM 1398 C GLN A 93 14.825 8.535 -10.071 1.00 0.00 C ATOM 1399 O GLN A 93 15.026 9.189 -11.094 1.00 0.00 O ATOM 1400 CB GLN A 93 12.726 8.995 -8.751 1.00 0.00 C ATOM 1401 CG GLN A 93 11.282 8.560 -8.491 1.00 0.00 C ATOM 1402 CD GLN A 93 10.334 9.761 -8.522 1.00 0.00 C ATOM 1403 OE1 GLN A 93 10.482 10.682 -9.308 1.00 0.00 O ATOM 1404 NE2 GLN A 93 9.354 9.699 -7.625 1.00 0.00 N ATOM 0 H GLN A 93 13.524 6.642 -8.174 1.00 0.00 H new ATOM 0 HA GLN A 93 12.827 8.023 -10.645 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.277 9.020 -7.811 1.00 0.00 H new ATOM 0 HB3 GLN A 93 12.738 10.008 -9.154 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.977 7.832 -9.242 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.216 8.065 -7.522 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.288 8.898 -6.996 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.668 10.452 -7.566 1.00 0.00 H new ATOM 1413 N VAL A 94 15.763 8.203 -9.197 1.00 0.00 N ATOM 1414 CA VAL A 94 17.146 8.603 -9.394 1.00 0.00 C ATOM 1415 C VAL A 94 17.709 7.887 -10.623 1.00 0.00 C ATOM 1416 O VAL A 94 18.607 8.402 -11.288 1.00 0.00 O ATOM 1417 CB VAL A 94 17.954 8.335 -8.123 1.00 0.00 C ATOM 1418 CG1 VAL A 94 17.116 8.610 -6.872 1.00 0.00 C ATOM 1419 CG2 VAL A 94 18.503 6.907 -8.113 1.00 0.00 C ATOM 0 H VAL A 94 15.593 7.661 -8.350 1.00 0.00 H new ATOM 0 HA VAL A 94 17.211 9.674 -9.584 1.00 0.00 H new ATOM 0 HB VAL A 94 18.802 9.020 -8.115 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.714 8.412 -5.983 1.00 0.00 H new ATOM 0 HG12 VAL A 94 16.797 9.652 -6.870 1.00 0.00 H new ATOM 0 HG13 VAL A 94 16.239 7.962 -6.872 1.00 0.00 H new ATOM 0 HG21 VAL A 94 19.073 6.743 -7.199 1.00 0.00 H new ATOM 0 HG22 VAL A 94 17.676 6.199 -8.157 1.00 0.00 H new ATOM 0 HG23 VAL A 94 19.152 6.761 -8.977 1.00 0.00 H new ATOM 1429 N ASN A 95 17.159 6.711 -10.887 1.00 0.00 N ATOM 1430 CA ASN A 95 17.596 5.919 -12.025 1.00 0.00 C ATOM 1431 C ASN A 95 16.992 6.499 -13.306 1.00 0.00 C ATOM 1432 O ASN A 95 17.716 6.994 -14.168 1.00 0.00 O ATOM 1433 CB ASN A 95 17.130 4.468 -11.897 1.00 0.00 C ATOM 1434 CG ASN A 95 18.314 3.531 -11.649 1.00 0.00 C ATOM 1435 OD1 ASN A 95 18.556 2.587 -12.383 1.00 0.00 O ATOM 1436 ND2 ASN A 95 19.036 3.844 -10.577 1.00 0.00 N ATOM 0 H ASN A 95 16.415 6.287 -10.333 1.00 0.00 H new ATOM 0 HA ASN A 95 18.685 5.946 -12.057 1.00 0.00 H new ATOM 0 HB2 ASN A 95 16.416 4.383 -11.078 1.00 0.00 H new ATOM 0 HB3 ASN A 95 16.609 4.168 -12.806 1.00 0.00 H new ATOM 0 HD21 ASN A 95 19.848 3.280 -10.326 1.00 0.00 H new ATOM 0 HD22 ASN A 95 18.778 4.648 -10.005 1.00 0.00 H new ATOM 1443 N GLY A 96 15.673 6.417 -13.390 1.00 0.00 N ATOM 1444 CA GLY A 96 14.964 6.927 -14.551 1.00 0.00 C ATOM 1445 C GLY A 96 13.626 6.208 -14.736 1.00 0.00 C ATOM 1446 O GLY A 96 12.582 6.850 -14.842 1.00 0.00 O ATOM 0 H GLY A 96 15.076 6.005 -12.673 1.00 0.00 H new ATOM 0 HA2 GLY A 96 14.793 7.997 -14.436 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.577 6.796 -15.442 1.00 0.00 H new ATOM 1450 N GLN A 97 13.701 4.886 -14.769 1.00 0.00 N ATOM 1451 CA GLN A 97 12.508 4.073 -14.939 1.00 0.00 C ATOM 1452 C GLN A 97 11.338 4.677 -14.160 1.00 0.00 C ATOM 1453 O GLN A 97 11.541 5.346 -13.148 1.00 0.00 O ATOM 1454 CB GLN A 97 12.765 2.627 -14.509 1.00 0.00 C ATOM 1455 CG GLN A 97 13.431 2.574 -13.133 1.00 0.00 C ATOM 1456 CD GLN A 97 14.151 1.240 -12.923 1.00 0.00 C ATOM 1457 OE1 GLN A 97 14.028 0.310 -13.703 1.00 0.00 O ATOM 1458 NE2 GLN A 97 14.907 1.200 -11.830 1.00 0.00 N ATOM 0 H GLN A 97 14.569 4.357 -14.681 1.00 0.00 H new ATOM 0 HA GLN A 97 12.247 4.062 -15.997 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.823 2.079 -14.482 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.401 2.133 -15.244 1.00 0.00 H new ATOM 0 HG2 GLN A 97 14.142 3.394 -13.038 1.00 0.00 H new ATOM 0 HG3 GLN A 97 12.679 2.712 -12.356 1.00 0.00 H new ATOM 0 HE21 GLN A 97 14.965 2.015 -11.220 1.00 0.00 H new ATOM 0 HE22 GLN A 97 15.429 0.354 -11.602 1.00 0.00 H new ATOM 1467 N LEU A 98 10.139 4.419 -14.662 1.00 0.00 N ATOM 1468 CA LEU A 98 8.936 4.929 -14.026 1.00 0.00 C ATOM 1469 C LEU A 98 8.702 4.180 -12.713 1.00 0.00 C ATOM 1470 O LEU A 98 9.174 3.057 -12.542 1.00 0.00 O ATOM 1471 CB LEU A 98 7.751 4.864 -14.991 1.00 0.00 C ATOM 1472 CG LEU A 98 7.533 6.097 -15.870 1.00 0.00 C ATOM 1473 CD1 LEU A 98 6.449 5.839 -16.919 1.00 0.00 C ATOM 1474 CD2 LEU A 98 7.224 7.330 -15.018 1.00 0.00 C ATOM 0 H LEU A 98 9.975 3.864 -15.502 1.00 0.00 H new ATOM 0 HA LEU A 98 9.055 5.983 -13.775 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.884 3.999 -15.640 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.845 4.691 -14.411 1.00 0.00 H new ATOM 0 HG LEU A 98 8.459 6.301 -16.408 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.314 6.731 -17.530 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.749 5.006 -17.555 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.511 5.596 -16.420 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.073 8.192 -15.667 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.320 7.152 -14.435 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.058 7.525 -14.344 1.00 0.00 H new ATOM 1486 N ILE A 99 7.974 4.833 -11.818 1.00 0.00 N ATOM 1487 CA ILE A 99 7.671 4.242 -10.526 1.00 0.00 C ATOM 1488 C ILE A 99 6.590 3.173 -10.698 1.00 0.00 C ATOM 1489 O ILE A 99 5.688 3.325 -11.520 1.00 0.00 O ATOM 1490 CB ILE A 99 7.305 5.329 -9.513 1.00 0.00 C ATOM 1491 CG1 ILE A 99 8.411 6.382 -9.415 1.00 0.00 C ATOM 1492 CG2 ILE A 99 6.973 4.719 -8.150 1.00 0.00 C ATOM 1493 CD1 ILE A 99 9.701 5.774 -8.861 1.00 0.00 C ATOM 0 H ILE A 99 7.586 5.765 -11.963 1.00 0.00 H new ATOM 0 HA ILE A 99 8.551 3.743 -10.120 1.00 0.00 H new ATOM 0 HB ILE A 99 6.407 5.836 -9.866 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.600 6.809 -10.400 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.084 7.199 -8.771 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.716 5.513 -7.449 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.128 4.038 -8.252 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.838 4.171 -7.776 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.470 6.544 -8.802 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.515 5.370 -7.866 1.00 0.00 H new ATOM 0 HD13 ILE A 99 10.038 4.974 -9.520 1.00 0.00 H new ATOM 1505 N GLU A 100 6.717 2.116 -9.910 1.00 0.00 N ATOM 1506 CA GLU A 100 5.763 1.022 -9.966 1.00 0.00 C ATOM 1507 C GLU A 100 4.798 1.100 -8.781 1.00 0.00 C ATOM 1508 O GLU A 100 5.159 1.589 -7.712 1.00 0.00 O ATOM 1509 CB GLU A 100 6.478 -0.329 -10.002 1.00 0.00 C ATOM 1510 CG GLU A 100 7.326 -0.466 -11.269 1.00 0.00 C ATOM 1511 CD GLU A 100 6.463 -0.870 -12.466 1.00 0.00 C ATOM 1512 OE1 GLU A 100 5.958 -2.013 -12.442 1.00 0.00 O ATOM 1513 OE2 GLU A 100 6.328 -0.026 -13.378 1.00 0.00 O ATOM 0 H GLU A 100 7.466 1.994 -9.229 1.00 0.00 H new ATOM 0 HA GLU A 100 5.187 1.115 -10.887 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.113 -0.432 -9.122 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.744 -1.134 -9.962 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.827 0.479 -11.480 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.106 -1.211 -11.110 1.00 0.00 H new ATOM 1520 N PRO A 101 3.556 0.596 -9.016 1.00 0.00 N ATOM 1521 CA PRO A 101 2.537 0.603 -7.981 1.00 0.00 C ATOM 1522 C PRO A 101 2.813 -0.476 -6.932 1.00 0.00 C ATOM 1523 O PRO A 101 3.309 -1.552 -7.259 1.00 0.00 O ATOM 1524 CB PRO A 101 1.225 0.392 -8.719 1.00 0.00 C ATOM 1525 CG PRO A 101 1.598 -0.188 -10.074 1.00 0.00 C ATOM 1526 CD PRO A 101 3.093 0.009 -10.270 1.00 0.00 C ATOM 0 HA PRO A 101 2.516 1.536 -7.418 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.573 -0.287 -8.170 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.685 1.332 -8.832 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.343 -1.247 -10.119 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.040 0.308 -10.868 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.594 -0.937 -10.473 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.299 0.666 -11.115 1.00 0.00 H new ATOM 1534 N LEU A 102 2.480 -0.149 -5.692 1.00 0.00 N ATOM 1535 CA LEU A 102 2.686 -1.077 -4.593 1.00 0.00 C ATOM 1536 C LEU A 102 1.878 -2.351 -4.848 1.00 0.00 C ATOM 1537 O LEU A 102 0.757 -2.487 -4.360 1.00 0.00 O ATOM 1538 CB LEU A 102 2.366 -0.403 -3.256 1.00 0.00 C ATOM 1539 CG LEU A 102 2.675 -1.223 -2.002 1.00 0.00 C ATOM 1540 CD1 LEU A 102 4.060 -1.867 -2.095 1.00 0.00 C ATOM 1541 CD2 LEU A 102 2.523 -0.372 -0.740 1.00 0.00 C ATOM 0 H LEU A 102 2.069 0.745 -5.424 1.00 0.00 H new ATOM 0 HA LEU A 102 3.734 -1.371 -4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.923 0.533 -3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.307 -0.145 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 102 1.948 -2.032 -1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.254 -2.444 -1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.097 -2.527 -2.962 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.817 -1.089 -2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.748 -0.979 0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.212 0.471 -0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.500 -0.002 -0.672 1.00 0.00 H new ATOM 1553 N GLN A 103 2.478 -3.251 -5.612 1.00 0.00 N ATOM 1554 CA GLN A 103 1.828 -4.509 -5.939 1.00 0.00 C ATOM 1555 C GLN A 103 1.533 -5.300 -4.663 1.00 0.00 C ATOM 1556 O GLN A 103 2.427 -5.926 -4.096 1.00 0.00 O ATOM 1557 CB GLN A 103 2.679 -5.330 -6.909 1.00 0.00 C ATOM 1558 CG GLN A 103 1.908 -6.550 -7.417 1.00 0.00 C ATOM 1559 CD GLN A 103 2.751 -7.359 -8.406 1.00 0.00 C ATOM 1560 OE1 GLN A 103 3.835 -6.965 -8.804 1.00 0.00 O ATOM 1561 NE2 GLN A 103 2.194 -8.508 -8.777 1.00 0.00 N ATOM 0 H GLN A 103 3.408 -3.134 -6.015 1.00 0.00 H new ATOM 0 HA GLN A 103 0.882 -4.290 -6.434 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.978 -4.708 -7.752 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.593 -5.654 -6.412 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.623 -7.181 -6.575 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.986 -6.227 -7.899 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.283 -8.777 -8.405 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.678 -9.121 -9.434 1.00 0.00 H new ATOM 1570 N ILE A 104 0.276 -5.246 -4.248 1.00 0.00 N ATOM 1571 CA ILE A 104 -0.148 -5.950 -3.050 1.00 0.00 C ATOM 1572 C ILE A 104 -1.188 -7.007 -3.426 1.00 0.00 C ATOM 1573 O ILE A 104 -1.840 -6.901 -4.464 1.00 0.00 O ATOM 1574 CB ILE A 104 -0.634 -4.959 -1.990 1.00 0.00 C ATOM 1575 CG1 ILE A 104 -1.842 -4.166 -2.493 1.00 0.00 C ATOM 1576 CG2 ILE A 104 0.503 -4.043 -1.534 1.00 0.00 C ATOM 1577 CD1 ILE A 104 -2.645 -3.591 -1.325 1.00 0.00 C ATOM 0 H ILE A 104 -0.463 -4.725 -4.720 1.00 0.00 H new ATOM 0 HA ILE A 104 0.694 -6.476 -2.599 1.00 0.00 H new ATOM 0 HB ILE A 104 -0.961 -5.525 -1.118 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.506 -3.357 -3.141 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.481 -4.812 -3.095 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.131 -3.349 -0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.306 -4.644 -1.108 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.883 -3.482 -2.388 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.498 -3.032 -1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -3.000 -4.404 -0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.010 -2.926 -0.739 1.00 0.00 H new ATOM 1589 N PHE A 105 -1.312 -8.003 -2.561 1.00 0.00 N ATOM 1590 CA PHE A 105 -2.262 -9.079 -2.789 1.00 0.00 C ATOM 1591 C PHE A 105 -3.197 -9.248 -1.591 1.00 0.00 C ATOM 1592 O PHE A 105 -2.741 -9.388 -0.457 1.00 0.00 O ATOM 1593 CB PHE A 105 -1.449 -10.362 -2.972 1.00 0.00 C ATOM 1594 CG PHE A 105 -0.382 -10.273 -4.065 1.00 0.00 C ATOM 1595 CD1 PHE A 105 0.808 -9.668 -3.806 1.00 0.00 C ATOM 1596 CD2 PHE A 105 -0.624 -10.800 -5.295 1.00 0.00 C ATOM 1597 CE1 PHE A 105 1.798 -9.585 -4.821 1.00 0.00 C ATOM 1598 CE2 PHE A 105 0.366 -10.717 -6.310 1.00 0.00 C ATOM 1599 CZ PHE A 105 1.556 -10.112 -6.051 1.00 0.00 C ATOM 0 H PHE A 105 -0.770 -8.088 -1.701 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.873 -8.856 -3.664 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -0.966 -10.612 -2.027 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.129 -11.180 -3.209 1.00 0.00 H new ATOM 0 HD1 PHE A 105 1.000 -9.251 -2.829 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -1.569 -11.282 -5.500 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.743 -9.103 -4.616 1.00 0.00 H new ATOM 0 HE2 PHE A 105 0.174 -11.134 -7.287 1.00 0.00 H new ATOM 0 HZ PHE A 105 2.309 -10.050 -6.823 1.00 0.00 H new ATOM 1609 N PRO A 106 -4.524 -9.228 -1.890 1.00 0.00 N ATOM 1610 CA PRO A 106 -5.528 -9.377 -0.850 1.00 0.00 C ATOM 1611 C PRO A 106 -5.620 -10.831 -0.381 1.00 0.00 C ATOM 1612 O PRO A 106 -6.051 -11.703 -1.134 1.00 0.00 O ATOM 1613 CB PRO A 106 -6.818 -8.871 -1.474 1.00 0.00 C ATOM 1614 CG PRO A 106 -6.592 -8.893 -2.976 1.00 0.00 C ATOM 1615 CD PRO A 106 -5.101 -9.063 -3.221 1.00 0.00 C ATOM 0 HA PRO A 106 -5.288 -8.812 0.051 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -7.661 -9.505 -1.197 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -7.050 -7.863 -1.129 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -7.150 -9.710 -3.434 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -6.950 -7.969 -3.429 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -4.899 -9.930 -3.850 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -4.682 -8.195 -3.730 1.00 0.00 H new ATOM 1623 N ARG A 107 -5.208 -11.046 0.860 1.00 0.00 N ATOM 1624 CA ARG A 107 -5.239 -12.379 1.438 1.00 0.00 C ATOM 1625 C ARG A 107 -6.623 -12.673 2.020 1.00 0.00 C ATOM 1626 O ARG A 107 -6.906 -12.321 3.165 1.00 0.00 O ATOM 1627 CB ARG A 107 -4.187 -12.526 2.539 1.00 0.00 C ATOM 1628 CG ARG A 107 -2.917 -13.187 2.000 1.00 0.00 C ATOM 1629 CD ARG A 107 -2.331 -14.162 3.022 1.00 0.00 C ATOM 1630 NE ARG A 107 -2.240 -15.518 2.434 1.00 0.00 N ATOM 1631 CZ ARG A 107 -2.028 -16.633 3.147 1.00 0.00 C ATOM 1632 NH1 ARG A 107 -1.883 -16.561 4.477 1.00 0.00 N ATOM 1633 NH2 ARG A 107 -1.961 -17.820 2.529 1.00 0.00 N ATOM 0 H ARG A 107 -4.851 -10.320 1.481 1.00 0.00 H new ATOM 0 HA ARG A 107 -5.018 -13.091 0.643 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.945 -11.545 2.949 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.592 -13.122 3.357 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.143 -13.717 1.075 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.179 -12.422 1.757 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -1.342 -13.825 3.333 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.956 -14.185 3.915 1.00 0.00 H new ATOM 0 HE ARG A 107 -2.345 -15.609 1.424 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -1.934 -15.657 4.947 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -1.722 -17.410 5.019 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -2.071 -17.875 1.516 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -1.800 -18.669 3.071 1.00 0.00 H new ATOM 1647 N SER A 108 -7.448 -13.314 1.207 1.00 0.00 N ATOM 1648 CA SER A 108 -8.796 -13.659 1.627 1.00 0.00 C ATOM 1649 C SER A 108 -8.753 -14.832 2.609 1.00 0.00 C ATOM 1650 O SER A 108 -8.044 -15.811 2.382 1.00 0.00 O ATOM 1651 CB SER A 108 -9.676 -14.006 0.425 1.00 0.00 C ATOM 1652 OG SER A 108 -9.082 -15.001 -0.403 1.00 0.00 O ATOM 0 H SER A 108 -7.210 -13.604 0.259 1.00 0.00 H new ATOM 0 HA SER A 108 -9.232 -12.792 2.124 1.00 0.00 H new ATOM 0 HB2 SER A 108 -10.646 -14.358 0.776 1.00 0.00 H new ATOM 0 HB3 SER A 108 -9.857 -13.106 -0.163 1.00 0.00 H new ATOM 0 HG SER A 108 -9.676 -15.196 -1.158 1.00 0.00 H new ATOM 1658 N GLY A 109 -9.522 -14.694 3.680 1.00 0.00 N ATOM 1659 CA GLY A 109 -9.581 -15.730 4.697 1.00 0.00 C ATOM 1660 C GLY A 109 -10.952 -15.754 5.376 1.00 0.00 C ATOM 1661 O GLY A 109 -11.738 -14.820 5.229 1.00 0.00 O ATOM 0 H GLY A 109 -10.109 -13.881 3.865 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.378 -16.701 4.245 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.805 -15.557 5.443 1.00 0.00 H new ATOM 1665 N PRO A 110 -11.203 -16.862 6.124 1.00 0.00 N ATOM 1666 CA PRO A 110 -12.465 -17.020 6.826 1.00 0.00 C ATOM 1667 C PRO A 110 -12.517 -16.127 8.068 1.00 0.00 C ATOM 1668 O PRO A 110 -13.517 -15.453 8.310 1.00 0.00 O ATOM 1669 CB PRO A 110 -12.548 -18.502 7.156 1.00 0.00 C ATOM 1670 CG PRO A 110 -11.130 -19.035 7.041 1.00 0.00 C ATOM 1671 CD PRO A 110 -10.295 -17.989 6.321 1.00 0.00 C ATOM 0 HA PRO A 110 -13.322 -16.710 6.227 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -12.943 -18.657 8.160 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -13.216 -19.019 6.467 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -10.718 -19.238 8.029 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -11.120 -19.976 6.491 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -9.427 -17.699 6.913 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -9.921 -18.367 5.370 1.00 0.00 H new ATOM 1679 N SER A 111 -11.428 -16.152 8.822 1.00 0.00 N ATOM 1680 CA SER A 111 -11.338 -15.354 10.032 1.00 0.00 C ATOM 1681 C SER A 111 -12.429 -15.773 11.019 1.00 0.00 C ATOM 1682 O SER A 111 -13.584 -15.372 10.880 1.00 0.00 O ATOM 1683 CB SER A 111 -11.452 -13.861 9.717 1.00 0.00 C ATOM 1684 OG SER A 111 -10.526 -13.455 8.713 1.00 0.00 O ATOM 0 H SER A 111 -10.601 -16.713 8.618 1.00 0.00 H new ATOM 0 HA SER A 111 -10.362 -15.529 10.484 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.466 -13.637 9.387 1.00 0.00 H new ATOM 0 HB3 SER A 111 -11.278 -13.284 10.625 1.00 0.00 H new ATOM 0 HG SER A 111 -10.631 -12.496 8.539 1.00 0.00 H new ATOM 1690 N SER A 112 -12.025 -16.574 11.994 1.00 0.00 N ATOM 1691 CA SER A 112 -12.955 -17.052 13.003 1.00 0.00 C ATOM 1692 C SER A 112 -13.094 -16.015 14.119 1.00 0.00 C ATOM 1693 O SER A 112 -14.192 -15.530 14.388 1.00 0.00 O ATOM 1694 CB SER A 112 -12.500 -18.394 13.579 1.00 0.00 C ATOM 1695 OG SER A 112 -13.172 -18.708 14.796 1.00 0.00 O ATOM 0 H SER A 112 -11.066 -16.904 12.107 1.00 0.00 H new ATOM 0 HA SER A 112 -13.926 -17.201 12.531 1.00 0.00 H new ATOM 0 HB2 SER A 112 -12.684 -19.183 12.849 1.00 0.00 H new ATOM 0 HB3 SER A 112 -11.425 -18.367 13.755 1.00 0.00 H new ATOM 0 HG SER A 112 -12.855 -19.573 15.131 1.00 0.00 H new ATOM 1701 N GLY A 113 -11.965 -15.705 14.740 1.00 0.00 N ATOM 1702 CA GLY A 113 -11.947 -14.735 15.821 1.00 0.00 C ATOM 1703 C GLY A 113 -12.861 -13.548 15.507 1.00 0.00 C ATOM 1704 O GLY A 113 -13.160 -13.280 14.345 1.00 0.00 O ATOM 0 H GLY A 113 -11.056 -16.109 14.515 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -12.268 -15.211 16.747 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -10.928 -14.382 15.981 1.00 0.00 H new TER 1708 GLY A 113