USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 903 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 91 THR OG1 : rot -34:sc= -2.32! USER MOD Set 1.2: A 94 SER OG : rot -79:sc= 1.25 USER MOD Set 2.1: A 76 SER OG : rot 180:sc= 0.00836 USER MOD Set 2.2: A 78 TYR OH : rot 180:sc= -1.6! USER MOD Set 3.1: A 17 THR OG1 : rot 180:sc= -0.474 USER MOD Set 3.2: A 18 GLN : amide:sc= -5.54! C(o=-6!,f=-8.6!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0464 USER MOD Single : A 5 TYR OH : rot 148:sc= -0.973 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.635! USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot -62:sc= 0.667 USER MOD Single : A 27 ASN : amide:sc= -4.85! C(o=-4.8!,f=-9.4!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.425 USER MOD Single : A 31 THR OG1 : rot 34:sc= -0.0886 USER MOD Single : A 32 SER OG : rot 23:sc= -1.99! USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 41 GLN : amide:sc= -0.347 K(o=-0.35,f=-0.88) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 73:sc= -0.896! USER MOD Single : A 50 ASN : amide:sc= -0.845 K(o=-0.84,f=-3.7!) USER MOD Single : A 51 ASN :FLIP amide:sc= 0.605 F(o=-0.02,f=0.61) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.336 F(o=-1.5,f=-0.34) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.283 USER MOD Single : A 69 THR OG1 : rot -78:sc= -0.724 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -81:sc= -0.923 USER MOD Single : A 90 LYS NZ :NH3+ -121:sc= -0.156 (180deg=-0.18) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 30:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.64 X(o=-0.64,f=-0.88) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.39) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0.212 X(o=0.21,f=-0.12) USER MOD Single : A 115 LYS NZ :NH3+ -143:sc= -0.561 (180deg=-2.33!) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.245 K(o=-0.24,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 14 N TRP A 2 8.728 6.617 -1.161 1.00 0.00 N ATOM 15 CA TRP A 2 8.939 5.377 -1.958 1.00 0.00 C ATOM 16 C TRP A 2 9.494 5.748 -3.344 1.00 0.00 C ATOM 17 O TRP A 2 9.337 5.013 -4.299 1.00 0.00 O ATOM 18 CB TRP A 2 7.598 4.650 -2.126 1.00 0.00 C ATOM 19 CG TRP A 2 7.533 3.443 -1.242 1.00 0.00 C ATOM 20 CD1 TRP A 2 7.379 2.169 -1.673 1.00 0.00 C ATOM 21 CD2 TRP A 2 7.597 3.377 0.211 1.00 0.00 C ATOM 22 NE1 TRP A 2 7.340 1.327 -0.575 1.00 0.00 N ATOM 23 CE2 TRP A 2 7.471 2.024 0.610 1.00 0.00 C ATOM 24 CE3 TRP A 2 7.749 4.352 1.209 1.00 0.00 C ATOM 25 CZ2 TRP A 2 7.494 1.652 1.956 1.00 0.00 C ATOM 26 CZ3 TRP A 2 7.776 3.984 2.566 1.00 0.00 C ATOM 27 CH2 TRP A 2 7.647 2.636 2.939 1.00 0.00 C ATOM 0 HA TRP A 2 9.648 4.728 -1.444 1.00 0.00 H new ATOM 0 HB2 TRP A 2 6.779 5.328 -1.885 1.00 0.00 H new ATOM 0 HB3 TRP A 2 7.469 4.352 -3.166 1.00 0.00 H new ATOM 0 HD1 TRP A 2 7.300 1.860 -2.705 1.00 0.00 H new ATOM 0 HE1 TRP A 2 7.228 0.315 -0.634 1.00 0.00 H new ATOM 0 HE3 TRP A 2 7.846 5.392 0.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 7.395 0.614 2.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 7.897 4.742 3.326 1.00 0.00 H new ATOM 0 HH2 TRP A 2 7.666 2.359 3.983 1.00 0.00 H new ATOM 38 N GLN A 3 10.130 6.889 -3.465 1.00 0.00 N ATOM 39 CA GLN A 3 10.678 7.306 -4.795 1.00 0.00 C ATOM 40 C GLN A 3 11.683 6.267 -5.289 1.00 0.00 C ATOM 41 O GLN A 3 11.352 5.421 -6.088 1.00 0.00 O ATOM 42 CB GLN A 3 11.365 8.666 -4.663 1.00 0.00 C ATOM 43 CG GLN A 3 10.788 9.630 -5.700 1.00 0.00 C ATOM 44 CD GLN A 3 11.930 10.304 -6.464 1.00 0.00 C ATOM 45 OE1 GLN A 3 12.317 11.411 -6.148 1.00 0.00 O ATOM 46 NE2 GLN A 3 12.490 9.677 -7.462 1.00 0.00 N ATOM 0 H GLN A 3 10.293 7.547 -2.703 1.00 0.00 H new ATOM 0 HA GLN A 3 9.861 7.382 -5.513 1.00 0.00 H new ATOM 0 HB2 GLN A 3 11.218 9.064 -3.659 1.00 0.00 H new ATOM 0 HB3 GLN A 3 12.440 8.558 -4.809 1.00 0.00 H new ATOM 0 HG2 GLN A 3 10.142 9.091 -6.393 1.00 0.00 H new ATOM 0 HG3 GLN A 3 10.171 10.383 -5.209 1.00 0.00 H new ATOM 0 HE21 GLN A 3 12.165 8.747 -7.727 1.00 0.00 H new ATOM 0 HE22 GLN A 3 13.253 10.117 -7.977 1.00 0.00 H new ATOM 55 N THR A 4 12.901 6.306 -4.817 1.00 0.00 N ATOM 56 CA THR A 4 13.881 5.281 -5.268 1.00 0.00 C ATOM 57 C THR A 4 13.302 3.928 -4.876 1.00 0.00 C ATOM 58 O THR A 4 13.354 2.963 -5.611 1.00 0.00 O ATOM 59 CB THR A 4 15.224 5.503 -4.568 1.00 0.00 C ATOM 60 OG1 THR A 4 16.172 4.560 -5.051 1.00 0.00 O ATOM 61 CG2 THR A 4 15.049 5.323 -3.059 1.00 0.00 C ATOM 0 H THR A 4 13.254 6.992 -4.150 1.00 0.00 H new ATOM 0 HA THR A 4 14.051 5.339 -6.343 1.00 0.00 H new ATOM 0 HB THR A 4 15.578 6.513 -4.775 1.00 0.00 H new ATOM 0 HG1 THR A 4 17.032 4.703 -4.604 1.00 0.00 H new ATOM 0 HG21 THR A 4 16.005 5.481 -2.560 1.00 0.00 H new ATOM 0 HG22 THR A 4 14.323 6.046 -2.688 1.00 0.00 H new ATOM 0 HG23 THR A 4 14.694 4.313 -2.852 1.00 0.00 H new ATOM 69 N TYR A 5 12.707 3.886 -3.719 1.00 0.00 N ATOM 70 CA TYR A 5 12.055 2.646 -3.226 1.00 0.00 C ATOM 71 C TYR A 5 11.332 1.965 -4.385 1.00 0.00 C ATOM 72 O TYR A 5 11.262 0.760 -4.479 1.00 0.00 O ATOM 73 CB TYR A 5 11.022 3.067 -2.179 1.00 0.00 C ATOM 74 CG TYR A 5 10.736 1.951 -1.211 1.00 0.00 C ATOM 75 CD1 TYR A 5 9.951 0.862 -1.600 1.00 0.00 C ATOM 76 CD2 TYR A 5 11.244 2.021 0.087 1.00 0.00 C ATOM 77 CE1 TYR A 5 9.677 -0.163 -0.687 1.00 0.00 C ATOM 78 CE2 TYR A 5 10.969 1.000 1.001 1.00 0.00 C ATOM 79 CZ TYR A 5 10.186 -0.094 0.614 1.00 0.00 C ATOM 80 OH TYR A 5 9.914 -1.102 1.515 1.00 0.00 O ATOM 0 H TYR A 5 12.645 4.679 -3.080 1.00 0.00 H new ATOM 0 HA TYR A 5 12.789 1.959 -2.805 1.00 0.00 H new ATOM 0 HB2 TYR A 5 11.387 3.938 -1.635 1.00 0.00 H new ATOM 0 HB3 TYR A 5 10.099 3.365 -2.676 1.00 0.00 H new ATOM 0 HD1 TYR A 5 9.556 0.811 -2.604 1.00 0.00 H new ATOM 0 HD2 TYR A 5 11.850 2.864 0.385 1.00 0.00 H new ATOM 0 HE1 TYR A 5 9.073 -1.007 -0.987 1.00 0.00 H new ATOM 0 HE2 TYR A 5 11.361 1.055 2.006 1.00 0.00 H new ATOM 0 HH TYR A 5 10.670 -1.203 2.131 1.00 0.00 H new ATOM 90 N VAL A 6 10.764 2.737 -5.256 1.00 0.00 N ATOM 91 CA VAL A 6 10.010 2.146 -6.389 1.00 0.00 C ATOM 92 C VAL A 6 10.855 2.126 -7.673 1.00 0.00 C ATOM 93 O VAL A 6 10.656 1.297 -8.539 1.00 0.00 O ATOM 94 CB VAL A 6 8.760 3.000 -6.627 1.00 0.00 C ATOM 95 CG1 VAL A 6 8.137 2.643 -7.977 1.00 0.00 C ATOM 96 CG2 VAL A 6 7.738 2.741 -5.520 1.00 0.00 C ATOM 0 H VAL A 6 10.788 3.756 -5.234 1.00 0.00 H new ATOM 0 HA VAL A 6 9.746 1.118 -6.141 1.00 0.00 H new ATOM 0 HB VAL A 6 9.045 4.052 -6.623 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.249 3.253 -8.141 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.858 2.832 -8.772 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.859 1.589 -7.982 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.851 3.350 -5.694 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.460 1.687 -5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.173 3.001 -4.555 1.00 0.00 H new ATOM 106 N ASP A 7 11.757 3.051 -7.833 1.00 0.00 N ATOM 107 CA ASP A 7 12.552 3.094 -9.095 1.00 0.00 C ATOM 108 C ASP A 7 13.861 2.300 -9.001 1.00 0.00 C ATOM 109 O ASP A 7 14.913 2.813 -9.329 1.00 0.00 O ATOM 110 CB ASP A 7 12.882 4.549 -9.426 1.00 0.00 C ATOM 111 CG ASP A 7 11.645 5.237 -10.009 1.00 0.00 C ATOM 112 OD1 ASP A 7 10.639 4.566 -10.169 1.00 0.00 O ATOM 113 OD2 ASP A 7 11.727 6.422 -10.286 1.00 0.00 O ATOM 0 H ASP A 7 11.979 3.776 -7.151 1.00 0.00 H new ATOM 0 HA ASP A 7 11.945 2.635 -9.876 1.00 0.00 H new ATOM 0 HB2 ASP A 7 13.211 5.071 -8.528 1.00 0.00 H new ATOM 0 HB3 ASP A 7 13.705 4.592 -10.140 1.00 0.00 H new ATOM 118 N THR A 8 13.833 1.058 -8.598 1.00 0.00 N ATOM 119 CA THR A 8 15.113 0.297 -8.555 1.00 0.00 C ATOM 120 C THR A 8 14.894 -1.134 -8.051 1.00 0.00 C ATOM 121 O THR A 8 14.594 -2.032 -8.813 1.00 0.00 O ATOM 122 CB THR A 8 16.115 1.020 -7.648 1.00 0.00 C ATOM 123 OG1 THR A 8 17.058 0.084 -7.146 1.00 0.00 O ATOM 124 CG2 THR A 8 15.379 1.680 -6.485 1.00 0.00 C ATOM 0 H THR A 8 13.000 0.548 -8.303 1.00 0.00 H new ATOM 0 HA THR A 8 15.509 0.241 -9.569 1.00 0.00 H new ATOM 0 HB THR A 8 16.633 1.787 -8.223 1.00 0.00 H new ATOM 0 HG1 THR A 8 17.700 0.545 -6.567 1.00 0.00 H new ATOM 0 HG21 THR A 8 16.097 2.192 -5.844 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.659 2.401 -6.872 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.855 0.919 -5.907 1.00 0.00 H new ATOM 132 N ASN A 9 15.080 -1.360 -6.782 1.00 0.00 N ATOM 133 CA ASN A 9 14.926 -2.738 -6.229 1.00 0.00 C ATOM 134 C ASN A 9 13.585 -2.898 -5.515 1.00 0.00 C ATOM 135 O ASN A 9 12.743 -3.664 -5.925 1.00 0.00 O ATOM 136 CB ASN A 9 16.052 -2.989 -5.226 1.00 0.00 C ATOM 137 CG ASN A 9 16.462 -4.462 -5.267 1.00 0.00 C ATOM 138 OD1 ASN A 9 15.963 -5.263 -4.503 1.00 0.00 O ATOM 139 ND2 ASN A 9 17.357 -4.853 -6.132 1.00 0.00 N ATOM 0 H ASN A 9 15.334 -0.647 -6.098 1.00 0.00 H new ATOM 0 HA ASN A 9 14.968 -3.452 -7.051 1.00 0.00 H new ATOM 0 HB2 ASN A 9 16.908 -2.357 -5.461 1.00 0.00 H new ATOM 0 HB3 ASN A 9 15.724 -2.721 -4.222 1.00 0.00 H new ATOM 0 HD21 ASN A 9 17.638 -5.833 -6.167 1.00 0.00 H new ATOM 0 HD22 ASN A 9 17.775 -4.179 -6.773 1.00 0.00 H new ATOM 146 N LEU A 10 13.410 -2.201 -4.429 1.00 0.00 N ATOM 147 CA LEU A 10 12.150 -2.311 -3.637 1.00 0.00 C ATOM 148 C LEU A 10 10.934 -2.558 -4.541 1.00 0.00 C ATOM 149 O LEU A 10 9.982 -3.199 -4.139 1.00 0.00 O ATOM 150 CB LEU A 10 11.946 -1.018 -2.858 1.00 0.00 C ATOM 151 CG LEU A 10 12.235 -1.254 -1.380 1.00 0.00 C ATOM 152 CD1 LEU A 10 11.377 -2.414 -0.878 1.00 0.00 C ATOM 153 CD2 LEU A 10 13.716 -1.594 -1.201 1.00 0.00 C ATOM 0 H LEU A 10 14.096 -1.549 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 10 12.241 -3.160 -2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 10 12.604 -0.241 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.923 -0.663 -2.986 1.00 0.00 H new ATOM 0 HG LEU A 10 11.999 -0.355 -0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 10 11.581 -2.586 0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.323 -2.170 -1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.615 -3.314 -1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 10 13.925 -1.763 -0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.953 -2.495 -1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 10 14.326 -0.766 -1.564 1.00 0.00 H new ATOM 165 N VAL A 11 10.942 -2.060 -5.749 1.00 0.00 N ATOM 166 CA VAL A 11 9.765 -2.287 -6.640 1.00 0.00 C ATOM 167 C VAL A 11 10.023 -3.499 -7.539 1.00 0.00 C ATOM 168 O VAL A 11 9.256 -4.440 -7.547 1.00 0.00 O ATOM 169 CB VAL A 11 9.497 -1.016 -7.478 1.00 0.00 C ATOM 170 CG1 VAL A 11 9.614 -1.295 -8.984 1.00 0.00 C ATOM 171 CG2 VAL A 11 8.080 -0.519 -7.181 1.00 0.00 C ATOM 0 H VAL A 11 11.701 -1.513 -6.154 1.00 0.00 H new ATOM 0 HA VAL A 11 8.880 -2.493 -6.038 1.00 0.00 H new ATOM 0 HB VAL A 11 10.242 -0.267 -7.209 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.419 -0.378 -9.540 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.619 -1.650 -9.211 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.887 -2.055 -9.271 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.879 0.378 -7.767 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.360 -1.294 -7.445 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.991 -0.287 -6.120 1.00 0.00 H new ATOM 181 N GLY A 12 11.092 -3.477 -8.294 1.00 0.00 N ATOM 182 CA GLY A 12 11.399 -4.631 -9.195 1.00 0.00 C ATOM 183 C GLY A 12 11.047 -5.929 -8.471 1.00 0.00 C ATOM 184 O GLY A 12 10.542 -6.867 -9.055 1.00 0.00 O ATOM 0 H GLY A 12 11.765 -2.711 -8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.829 -4.549 -10.121 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.454 -4.626 -9.469 1.00 0.00 H new ATOM 188 N THR A 13 11.296 -5.966 -7.193 1.00 0.00 N ATOM 189 CA THR A 13 10.969 -7.171 -6.384 1.00 0.00 C ATOM 190 C THR A 13 11.804 -7.160 -5.108 1.00 0.00 C ATOM 191 O THR A 13 12.259 -8.183 -4.637 1.00 0.00 O ATOM 192 CB THR A 13 11.258 -8.444 -7.171 1.00 0.00 C ATOM 193 OG1 THR A 13 11.462 -9.530 -6.277 1.00 0.00 O ATOM 194 CG2 THR A 13 12.505 -8.254 -8.038 1.00 0.00 C ATOM 0 H THR A 13 11.719 -5.201 -6.667 1.00 0.00 H new ATOM 0 HA THR A 13 9.908 -7.151 -6.136 1.00 0.00 H new ATOM 0 HB THR A 13 10.405 -8.661 -7.814 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.243 -9.348 -5.714 1.00 0.00 H new ATOM 0 HG21 THR A 13 12.703 -9.169 -8.596 1.00 0.00 H new ATOM 0 HG22 THR A 13 12.342 -7.432 -8.735 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.360 -8.025 -7.401 1.00 0.00 H new ATOM 202 N GLY A 14 11.978 -6.018 -4.514 1.00 0.00 N ATOM 203 CA GLY A 14 12.743 -5.967 -3.241 1.00 0.00 C ATOM 204 C GLY A 14 11.794 -6.369 -2.109 1.00 0.00 C ATOM 205 O GLY A 14 12.053 -6.122 -0.948 1.00 0.00 O ATOM 0 H GLY A 14 11.627 -5.122 -4.851 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.597 -6.643 -3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.137 -4.965 -3.072 1.00 0.00 H new ATOM 209 N ALA A 15 10.685 -6.979 -2.459 1.00 0.00 N ATOM 210 CA ALA A 15 9.680 -7.401 -1.450 1.00 0.00 C ATOM 211 C ALA A 15 8.341 -7.469 -2.173 1.00 0.00 C ATOM 212 O ALA A 15 7.454 -8.220 -1.818 1.00 0.00 O ATOM 213 CB ALA A 15 9.600 -6.376 -0.315 1.00 0.00 C ATOM 0 H ALA A 15 10.436 -7.203 -3.423 1.00 0.00 H new ATOM 0 HA ALA A 15 9.949 -8.363 -1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.859 -6.700 0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.573 -6.291 0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.310 -5.406 -0.720 1.00 0.00 H new ATOM 219 N VAL A 16 8.211 -6.685 -3.212 1.00 0.00 N ATOM 220 CA VAL A 16 6.963 -6.680 -4.010 1.00 0.00 C ATOM 221 C VAL A 16 7.348 -6.563 -5.485 1.00 0.00 C ATOM 222 O VAL A 16 8.218 -5.796 -5.846 1.00 0.00 O ATOM 223 CB VAL A 16 6.102 -5.482 -3.604 1.00 0.00 C ATOM 224 CG1 VAL A 16 5.976 -5.434 -2.081 1.00 0.00 C ATOM 225 CG2 VAL A 16 6.763 -4.192 -4.097 1.00 0.00 C ATOM 0 H VAL A 16 8.931 -6.041 -3.541 1.00 0.00 H new ATOM 0 HA VAL A 16 6.395 -7.594 -3.838 1.00 0.00 H new ATOM 0 HB VAL A 16 5.111 -5.581 -4.048 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.363 -4.580 -1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.509 -6.353 -1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.966 -5.335 -1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.152 -3.337 -3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.753 -4.097 -3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.856 -4.223 -5.183 1.00 0.00 H new ATOM 235 N THR A 17 6.716 -7.312 -6.345 1.00 0.00 N ATOM 236 CA THR A 17 7.066 -7.228 -7.791 1.00 0.00 C ATOM 237 C THR A 17 6.400 -5.996 -8.405 1.00 0.00 C ATOM 238 O THR A 17 6.452 -5.777 -9.597 1.00 0.00 O ATOM 239 CB THR A 17 6.574 -8.488 -8.505 1.00 0.00 C ATOM 240 OG1 THR A 17 5.197 -8.690 -8.212 1.00 0.00 O ATOM 241 CG2 THR A 17 7.382 -9.693 -8.024 1.00 0.00 C ATOM 0 H THR A 17 5.977 -7.975 -6.112 1.00 0.00 H new ATOM 0 HA THR A 17 8.147 -7.147 -7.902 1.00 0.00 H new ATOM 0 HB THR A 17 6.702 -8.372 -9.581 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.880 -9.496 -8.670 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.032 -10.592 -8.532 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.437 -9.537 -8.248 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.253 -9.811 -6.948 1.00 0.00 H new ATOM 249 N GLN A 18 5.781 -5.186 -7.592 1.00 0.00 N ATOM 250 CA GLN A 18 5.103 -3.961 -8.111 1.00 0.00 C ATOM 251 C GLN A 18 4.750 -3.064 -6.924 1.00 0.00 C ATOM 252 O GLN A 18 4.713 -3.509 -5.795 1.00 0.00 O ATOM 253 CB GLN A 18 3.803 -4.321 -8.861 1.00 0.00 C ATOM 254 CG GLN A 18 3.547 -5.838 -8.856 1.00 0.00 C ATOM 255 CD GLN A 18 4.046 -6.451 -10.168 1.00 0.00 C ATOM 256 OE1 GLN A 18 4.608 -5.764 -10.998 1.00 0.00 O ATOM 257 NE2 GLN A 18 3.854 -7.722 -10.396 1.00 0.00 N ATOM 0 H GLN A 18 5.714 -5.319 -6.583 1.00 0.00 H new ATOM 0 HA GLN A 18 5.775 -3.454 -8.803 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.961 -3.808 -8.397 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.865 -3.965 -9.889 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.057 -6.300 -8.011 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.482 -6.036 -8.733 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.382 -8.299 -9.700 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.176 -8.138 -11.270 1.00 0.00 H new ATOM 266 N ALA A 19 4.484 -1.806 -7.160 1.00 0.00 N ATOM 267 CA ALA A 19 4.132 -0.911 -6.020 1.00 0.00 C ATOM 268 C ALA A 19 3.719 0.464 -6.541 1.00 0.00 C ATOM 269 O ALA A 19 3.847 0.763 -7.712 1.00 0.00 O ATOM 270 CB ALA A 19 5.345 -0.762 -5.099 1.00 0.00 C ATOM 0 H ALA A 19 4.495 -1.365 -8.080 1.00 0.00 H new ATOM 0 HA ALA A 19 3.300 -1.347 -5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.090 -0.108 -4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.635 -1.741 -4.717 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.175 -0.330 -5.658 1.00 0.00 H new ATOM 276 N ALA A 20 3.221 1.306 -5.677 1.00 0.00 N ATOM 277 CA ALA A 20 2.798 2.660 -6.122 1.00 0.00 C ATOM 278 C ALA A 20 2.681 3.588 -4.914 1.00 0.00 C ATOM 279 O ALA A 20 2.496 3.151 -3.795 1.00 0.00 O ATOM 280 CB ALA A 20 1.443 2.566 -6.825 1.00 0.00 C ATOM 0 H ALA A 20 3.090 1.113 -4.684 1.00 0.00 H new ATOM 0 HA ALA A 20 3.541 3.060 -6.812 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.133 3.559 -7.151 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.527 1.909 -7.691 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.702 2.163 -6.135 1.00 0.00 H new ATOM 286 N ILE A 21 2.775 4.869 -5.137 1.00 0.00 N ATOM 287 CA ILE A 21 2.657 5.835 -4.012 1.00 0.00 C ATOM 288 C ILE A 21 1.407 6.684 -4.231 1.00 0.00 C ATOM 289 O ILE A 21 1.433 7.674 -4.936 1.00 0.00 O ATOM 290 CB ILE A 21 3.891 6.740 -3.968 1.00 0.00 C ATOM 291 CG1 ILE A 21 5.154 5.875 -3.932 1.00 0.00 C ATOM 292 CG2 ILE A 21 3.838 7.614 -2.713 1.00 0.00 C ATOM 293 CD1 ILE A 21 6.368 6.749 -3.602 1.00 0.00 C ATOM 0 H ILE A 21 2.929 5.289 -6.054 1.00 0.00 H new ATOM 0 HA ILE A 21 2.585 5.295 -3.068 1.00 0.00 H new ATOM 0 HB ILE A 21 3.908 7.376 -4.853 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.046 5.088 -3.186 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.298 5.384 -4.894 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.716 8.259 -2.681 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.938 8.228 -2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.822 6.979 -1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.265 6.131 -3.577 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.479 7.520 -4.365 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.224 7.219 -2.629 1.00 0.00 H new ATOM 305 N LEU A 22 0.310 6.291 -3.641 1.00 0.00 N ATOM 306 CA LEU A 22 -0.955 7.059 -3.816 1.00 0.00 C ATOM 307 C LEU A 22 -0.998 8.202 -2.797 1.00 0.00 C ATOM 308 O LEU A 22 -0.804 8.001 -1.615 1.00 0.00 O ATOM 309 CB LEU A 22 -2.161 6.132 -3.602 1.00 0.00 C ATOM 310 CG LEU A 22 -1.766 4.679 -3.884 1.00 0.00 C ATOM 311 CD1 LEU A 22 -3.023 3.811 -3.965 1.00 0.00 C ATOM 312 CD2 LEU A 22 -1.011 4.598 -5.214 1.00 0.00 C ATOM 0 H LEU A 22 0.236 5.468 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.994 7.467 -4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.524 6.226 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.978 6.429 -4.259 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.125 4.320 -3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.739 2.778 -4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.562 3.862 -3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.664 4.174 -4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.732 3.563 -5.411 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.651 4.961 -6.018 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.112 5.212 -5.160 1.00 0.00 H new ATOM 324 N GLY A 23 -1.244 9.403 -3.248 1.00 0.00 N ATOM 325 CA GLY A 23 -1.293 10.561 -2.309 1.00 0.00 C ATOM 326 C GLY A 23 -2.168 10.220 -1.104 1.00 0.00 C ATOM 327 O GLY A 23 -2.894 9.246 -1.106 1.00 0.00 O ATOM 0 H GLY A 23 -1.413 9.632 -4.227 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.286 10.814 -1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.690 11.438 -2.820 1.00 0.00 H new ATOM 331 N LEU A 24 -2.106 11.019 -0.073 1.00 0.00 N ATOM 332 CA LEU A 24 -2.938 10.747 1.134 1.00 0.00 C ATOM 333 C LEU A 24 -4.380 11.172 0.859 1.00 0.00 C ATOM 334 O LEU A 24 -5.284 10.858 1.608 1.00 0.00 O ATOM 335 CB LEU A 24 -2.394 11.544 2.324 1.00 0.00 C ATOM 336 CG LEU A 24 -1.020 11.006 2.726 1.00 0.00 C ATOM 337 CD1 LEU A 24 -0.216 12.114 3.410 1.00 0.00 C ATOM 338 CD2 LEU A 24 -1.194 9.834 3.694 1.00 0.00 C ATOM 0 H LEU A 24 -1.515 11.848 -0.015 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.905 9.682 1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.319 12.599 2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.083 11.473 3.166 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.489 10.668 1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.763 11.730 3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.091 12.950 2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.747 12.453 4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.215 9.450 3.981 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.726 10.172 4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.766 9.043 3.209 1.00 0.00 H new ATOM 350 N ASP A 25 -4.604 11.889 -0.210 1.00 0.00 N ATOM 351 CA ASP A 25 -5.988 12.340 -0.528 1.00 0.00 C ATOM 352 C ASP A 25 -6.411 11.786 -1.891 1.00 0.00 C ATOM 353 O ASP A 25 -6.757 12.526 -2.793 1.00 0.00 O ATOM 354 CB ASP A 25 -6.026 13.869 -0.563 1.00 0.00 C ATOM 355 CG ASP A 25 -7.449 14.351 -0.275 1.00 0.00 C ATOM 356 OD1 ASP A 25 -8.329 14.041 -1.060 1.00 0.00 O ATOM 357 OD2 ASP A 25 -7.634 15.023 0.727 1.00 0.00 O ATOM 0 H ASP A 25 -3.888 12.181 -0.876 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.674 11.974 0.236 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.336 14.277 0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.699 14.229 -1.538 1.00 0.00 H new ATOM 362 N GLY A 26 -6.391 10.491 -2.049 1.00 0.00 N ATOM 363 CA GLY A 26 -6.798 9.891 -3.351 1.00 0.00 C ATOM 364 C GLY A 26 -6.018 10.547 -4.492 1.00 0.00 C ATOM 365 O GLY A 26 -6.568 11.276 -5.293 1.00 0.00 O ATOM 0 H GLY A 26 -6.110 9.822 -1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.611 8.817 -3.341 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.868 10.027 -3.505 1.00 0.00 H new ATOM 369 N ASN A 27 -4.742 10.290 -4.575 1.00 0.00 N ATOM 370 CA ASN A 27 -3.933 10.897 -5.668 1.00 0.00 C ATOM 371 C ASN A 27 -2.818 9.932 -6.075 1.00 0.00 C ATOM 372 O ASN A 27 -2.958 8.729 -5.982 1.00 0.00 O ATOM 373 CB ASN A 27 -3.317 12.212 -5.182 1.00 0.00 C ATOM 374 CG ASN A 27 -4.385 13.050 -4.477 1.00 0.00 C ATOM 375 OD1 ASN A 27 -4.517 12.997 -3.271 1.00 0.00 O ATOM 376 ND2 ASN A 27 -5.158 13.828 -5.185 1.00 0.00 N ATOM 0 H ASN A 27 -4.226 9.687 -3.934 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.576 11.093 -6.526 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.492 12.008 -4.500 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.904 12.766 -6.025 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.873 14.392 -4.725 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.047 13.872 -6.198 1.00 0.00 H new ATOM 383 N THR A 28 -1.710 10.454 -6.526 1.00 0.00 N ATOM 384 CA THR A 28 -0.581 9.575 -6.941 1.00 0.00 C ATOM 385 C THR A 28 0.732 10.356 -6.830 1.00 0.00 C ATOM 386 O THR A 28 0.741 11.571 -6.828 1.00 0.00 O ATOM 387 CB THR A 28 -0.790 9.128 -8.390 1.00 0.00 C ATOM 388 OG1 THR A 28 -2.181 8.973 -8.638 1.00 0.00 O ATOM 389 CG2 THR A 28 -0.078 7.797 -8.627 1.00 0.00 C ATOM 0 H THR A 28 -1.538 11.455 -6.625 1.00 0.00 H new ATOM 0 HA THR A 28 -0.541 8.698 -6.295 1.00 0.00 H new ATOM 0 HB THR A 28 -0.379 9.880 -9.064 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.318 8.688 -9.566 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.229 7.482 -9.660 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.989 7.916 -8.436 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.485 7.042 -7.954 1.00 0.00 H new ATOM 397 N TRP A 29 1.842 9.672 -6.737 1.00 0.00 N ATOM 398 CA TRP A 29 3.143 10.391 -6.627 1.00 0.00 C ATOM 399 C TRP A 29 4.237 9.605 -7.358 1.00 0.00 C ATOM 400 O TRP A 29 5.069 10.175 -8.035 1.00 0.00 O ATOM 401 CB TRP A 29 3.522 10.548 -5.152 1.00 0.00 C ATOM 402 CG TRP A 29 3.216 11.944 -4.711 1.00 0.00 C ATOM 403 CD1 TRP A 29 3.571 13.063 -5.384 1.00 0.00 C ATOM 404 CD2 TRP A 29 2.504 12.390 -3.520 1.00 0.00 C ATOM 405 NE1 TRP A 29 3.121 14.167 -4.683 1.00 0.00 N ATOM 406 CE2 TRP A 29 2.456 13.805 -3.528 1.00 0.00 C ATOM 407 CE3 TRP A 29 1.900 11.714 -2.445 1.00 0.00 C ATOM 408 CZ2 TRP A 29 1.833 14.522 -2.508 1.00 0.00 C ATOM 409 CZ3 TRP A 29 1.270 12.434 -1.415 1.00 0.00 C ATOM 410 CH2 TRP A 29 1.237 13.836 -1.447 1.00 0.00 C ATOM 0 H TRP A 29 1.903 8.654 -6.733 1.00 0.00 H new ATOM 0 HA TRP A 29 3.045 11.376 -7.083 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.969 9.832 -4.544 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.581 10.334 -5.012 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.116 13.090 -6.316 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.263 15.132 -4.983 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.920 10.635 -2.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 1.811 15.601 -2.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.809 11.905 -0.594 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.752 14.384 -0.653 1.00 0.00 H new ATOM 421 N ALA A 30 4.248 8.304 -7.232 1.00 0.00 N ATOM 422 CA ALA A 30 5.302 7.509 -7.933 1.00 0.00 C ATOM 423 C ALA A 30 4.918 6.031 -7.956 1.00 0.00 C ATOM 424 O ALA A 30 4.783 5.399 -6.929 1.00 0.00 O ATOM 425 CB ALA A 30 6.637 7.667 -7.204 1.00 0.00 C ATOM 0 H ALA A 30 3.582 7.762 -6.681 1.00 0.00 H new ATOM 0 HA ALA A 30 5.394 7.875 -8.956 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.403 7.086 -7.718 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.924 8.718 -7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.537 7.309 -6.179 1.00 0.00 H new ATOM 431 N THR A 31 4.751 5.471 -9.122 1.00 0.00 N ATOM 432 CA THR A 31 4.384 4.030 -9.206 1.00 0.00 C ATOM 433 C THR A 31 5.290 3.327 -10.216 1.00 0.00 C ATOM 434 O THR A 31 5.958 3.957 -11.012 1.00 0.00 O ATOM 435 CB THR A 31 2.924 3.898 -9.647 1.00 0.00 C ATOM 436 OG1 THR A 31 2.577 2.522 -9.720 1.00 0.00 O ATOM 437 CG2 THR A 31 2.743 4.546 -11.019 1.00 0.00 C ATOM 0 H THR A 31 4.853 5.948 -10.018 1.00 0.00 H new ATOM 0 HA THR A 31 4.510 3.568 -8.227 1.00 0.00 H new ATOM 0 HB THR A 31 2.279 4.398 -8.925 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.061 2.025 -9.028 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.703 4.451 -11.332 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.010 5.601 -10.961 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.387 4.048 -11.744 1.00 0.00 H new ATOM 445 N SER A 32 5.320 2.023 -10.187 1.00 0.00 N ATOM 446 CA SER A 32 6.184 1.278 -11.142 1.00 0.00 C ATOM 447 C SER A 32 5.525 -0.057 -11.491 1.00 0.00 C ATOM 448 O SER A 32 4.839 -0.652 -10.681 1.00 0.00 O ATOM 449 CB SER A 32 7.545 1.021 -10.498 1.00 0.00 C ATOM 450 OG SER A 32 8.379 2.156 -10.692 1.00 0.00 O ATOM 0 H SER A 32 4.783 1.442 -9.543 1.00 0.00 H new ATOM 0 HA SER A 32 6.315 1.866 -12.050 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.424 0.822 -9.433 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.007 0.137 -10.937 1.00 0.00 H new ATOM 0 HG SER A 32 7.823 2.948 -10.849 1.00 0.00 H new ATOM 456 N ALA A 33 5.729 -0.523 -12.697 1.00 0.00 N ATOM 457 CA ALA A 33 5.121 -1.816 -13.124 1.00 0.00 C ATOM 458 C ALA A 33 3.668 -1.578 -13.539 1.00 0.00 C ATOM 459 O ALA A 33 3.137 -0.498 -13.372 1.00 0.00 O ATOM 460 CB ALA A 33 5.171 -2.822 -11.973 1.00 0.00 C ATOM 0 H ALA A 33 6.295 -0.059 -13.408 1.00 0.00 H new ATOM 0 HA ALA A 33 5.681 -2.217 -13.968 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.725 -3.764 -12.293 1.00 0.00 H new ATOM 0 HB2 ALA A 33 6.208 -2.992 -11.683 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.616 -2.429 -11.122 1.00 0.00 H new ATOM 466 N GLY A 34 3.022 -2.575 -14.081 1.00 0.00 N ATOM 467 CA GLY A 34 1.604 -2.402 -14.507 1.00 0.00 C ATOM 468 C GLY A 34 0.747 -2.040 -13.294 1.00 0.00 C ATOM 469 O GLY A 34 1.092 -1.176 -12.514 1.00 0.00 O ATOM 0 H GLY A 34 3.415 -3.501 -14.247 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.533 -1.619 -15.262 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.236 -3.320 -14.964 1.00 0.00 H new ATOM 473 N PHE A 35 -0.370 -2.691 -13.125 1.00 0.00 N ATOM 474 CA PHE A 35 -1.239 -2.374 -11.958 1.00 0.00 C ATOM 475 C PHE A 35 -1.640 -0.897 -12.015 1.00 0.00 C ATOM 476 O PHE A 35 -0.925 -0.034 -11.546 1.00 0.00 O ATOM 477 CB PHE A 35 -0.464 -2.643 -10.664 1.00 0.00 C ATOM 478 CG PHE A 35 -1.312 -2.261 -9.476 1.00 0.00 C ATOM 479 CD1 PHE A 35 -2.370 -3.086 -9.078 1.00 0.00 C ATOM 480 CD2 PHE A 35 -1.039 -1.081 -8.773 1.00 0.00 C ATOM 481 CE1 PHE A 35 -3.157 -2.730 -7.976 1.00 0.00 C ATOM 482 CE2 PHE A 35 -1.826 -0.726 -7.672 1.00 0.00 C ATOM 483 CZ PHE A 35 -2.885 -1.549 -7.274 1.00 0.00 C ATOM 0 H PHE A 35 -0.718 -3.426 -13.741 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.133 -2.996 -11.984 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.191 -3.697 -10.604 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.464 -2.072 -10.659 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.579 -3.996 -9.620 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.222 -0.446 -9.080 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.974 -3.366 -7.667 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.616 0.184 -7.129 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.493 -1.274 -6.425 1.00 0.00 H new ATOM 493 N ALA A 36 -2.774 -0.598 -12.590 1.00 0.00 N ATOM 494 CA ALA A 36 -3.212 0.825 -12.678 1.00 0.00 C ATOM 495 C ALA A 36 -4.397 1.058 -11.737 1.00 0.00 C ATOM 496 O ALA A 36 -5.407 0.386 -11.817 1.00 0.00 O ATOM 497 CB ALA A 36 -3.635 1.138 -14.115 1.00 0.00 C ATOM 0 H ALA A 36 -3.415 -1.276 -13.002 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.387 1.476 -12.389 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.956 2.178 -14.182 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.792 0.974 -14.786 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.459 0.485 -14.402 1.00 0.00 H new ATOM 503 N VAL A 37 -4.283 2.007 -10.847 1.00 0.00 N ATOM 504 CA VAL A 37 -5.402 2.286 -9.904 1.00 0.00 C ATOM 505 C VAL A 37 -6.226 3.464 -10.428 1.00 0.00 C ATOM 506 O VAL A 37 -5.808 4.603 -10.366 1.00 0.00 O ATOM 507 CB VAL A 37 -4.834 2.634 -8.527 1.00 0.00 C ATOM 508 CG1 VAL A 37 -5.982 2.927 -7.560 1.00 0.00 C ATOM 509 CG2 VAL A 37 -4.015 1.452 -8.000 1.00 0.00 C ATOM 0 H VAL A 37 -3.462 2.601 -10.733 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.038 1.404 -9.822 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.195 3.513 -8.610 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.577 3.175 -6.579 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.567 3.767 -7.934 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.621 2.048 -7.477 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.610 1.699 -7.019 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.655 0.574 -7.918 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.196 1.241 -8.688 1.00 0.00 H new ATOM 519 N THR A 38 -7.395 3.198 -10.945 1.00 0.00 N ATOM 520 CA THR A 38 -8.246 4.303 -11.476 1.00 0.00 C ATOM 521 C THR A 38 -8.788 5.137 -10.311 1.00 0.00 C ATOM 522 O THR A 38 -8.793 4.691 -9.182 1.00 0.00 O ATOM 523 CB THR A 38 -9.418 3.718 -12.269 1.00 0.00 C ATOM 524 OG1 THR A 38 -9.360 2.299 -12.231 1.00 0.00 O ATOM 525 CG2 THR A 38 -9.342 4.196 -13.720 1.00 0.00 C ATOM 0 H THR A 38 -7.798 2.264 -11.023 1.00 0.00 H new ATOM 0 HA THR A 38 -7.646 4.935 -12.130 1.00 0.00 H new ATOM 0 HB THR A 38 -10.356 4.052 -11.826 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.112 1.927 -12.738 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.176 3.780 -14.284 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.393 5.284 -13.748 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.403 3.865 -14.163 1.00 0.00 H new ATOM 533 N PRO A 39 -9.234 6.327 -10.626 1.00 0.00 N ATOM 534 CA PRO A 39 -9.790 7.249 -9.619 1.00 0.00 C ATOM 535 C PRO A 39 -11.028 6.627 -8.966 1.00 0.00 C ATOM 536 O PRO A 39 -12.072 6.510 -9.577 1.00 0.00 O ATOM 537 CB PRO A 39 -10.171 8.510 -10.407 1.00 0.00 C ATOM 538 CG PRO A 39 -9.826 8.257 -11.898 1.00 0.00 C ATOM 539 CD PRO A 39 -9.218 6.850 -12.006 1.00 0.00 C ATOM 0 HA PRO A 39 -9.084 7.467 -8.818 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.233 8.727 -10.292 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.626 9.376 -10.030 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.721 8.335 -12.516 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.122 9.006 -12.260 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.801 6.217 -12.676 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.204 6.886 -12.404 1.00 0.00 H new ATOM 547 N ALA A 40 -10.921 6.230 -7.729 1.00 0.00 N ATOM 548 CA ALA A 40 -12.094 5.618 -7.040 1.00 0.00 C ATOM 549 C ALA A 40 -11.681 5.157 -5.641 1.00 0.00 C ATOM 550 O ALA A 40 -12.059 5.745 -4.647 1.00 0.00 O ATOM 551 CB ALA A 40 -12.591 4.416 -7.847 1.00 0.00 C ATOM 0 H ALA A 40 -10.074 6.302 -7.165 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.892 6.356 -6.959 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.448 3.969 -7.343 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.886 4.744 -8.844 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.793 3.678 -7.929 1.00 0.00 H new ATOM 557 N GLN A 41 -10.911 4.109 -5.555 1.00 0.00 N ATOM 558 CA GLN A 41 -10.476 3.608 -4.221 1.00 0.00 C ATOM 559 C GLN A 41 -9.637 4.677 -3.518 1.00 0.00 C ATOM 560 O GLN A 41 -9.499 4.676 -2.312 1.00 0.00 O ATOM 561 CB GLN A 41 -9.633 2.345 -4.405 1.00 0.00 C ATOM 562 CG GLN A 41 -10.303 1.172 -3.688 1.00 0.00 C ATOM 563 CD GLN A 41 -10.563 1.547 -2.227 1.00 0.00 C ATOM 564 OE1 GLN A 41 -11.687 1.808 -1.846 1.00 0.00 O ATOM 565 NE2 GLN A 41 -9.566 1.582 -1.386 1.00 0.00 N ATOM 0 H GLN A 41 -10.563 3.576 -6.352 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.354 3.381 -3.616 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.523 2.121 -5.466 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.631 2.503 -4.007 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.241 0.918 -4.182 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.666 0.289 -3.740 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.622 1.363 -1.705 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.731 1.828 -0.410 1.00 0.00 H new ATOM 574 N GLY A 42 -9.074 5.589 -4.263 1.00 0.00 N ATOM 575 CA GLY A 42 -8.243 6.654 -3.634 1.00 0.00 C ATOM 576 C GLY A 42 -9.152 7.650 -2.913 1.00 0.00 C ATOM 577 O GLY A 42 -8.783 8.230 -1.911 1.00 0.00 O ATOM 0 H GLY A 42 -9.154 5.642 -5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.539 6.212 -2.929 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.654 7.167 -4.394 1.00 0.00 H new ATOM 581 N GLN A 43 -10.337 7.850 -3.415 1.00 0.00 N ATOM 582 CA GLN A 43 -11.271 8.805 -2.760 1.00 0.00 C ATOM 583 C GLN A 43 -11.839 8.169 -1.490 1.00 0.00 C ATOM 584 O GLN A 43 -12.273 8.853 -0.585 1.00 0.00 O ATOM 585 CB GLN A 43 -12.416 9.140 -3.717 1.00 0.00 C ATOM 586 CG GLN A 43 -13.288 10.236 -3.105 1.00 0.00 C ATOM 587 CD GLN A 43 -13.757 11.187 -4.205 1.00 0.00 C ATOM 588 OE1 GLN A 43 -13.557 12.383 -4.117 1.00 0.00 O ATOM 589 NE2 GLN A 43 -14.377 10.705 -5.248 1.00 0.00 N ATOM 0 H GLN A 43 -10.700 7.393 -4.252 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.735 9.719 -2.503 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -12.017 9.471 -4.676 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -13.015 8.250 -3.910 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -14.147 9.793 -2.602 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -12.725 10.785 -2.351 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -14.545 9.702 -5.323 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.693 11.332 -5.988 1.00 0.00 H new ATOM 598 N THR A 44 -11.838 6.865 -1.413 1.00 0.00 N ATOM 599 CA THR A 44 -12.376 6.193 -0.198 1.00 0.00 C ATOM 600 C THR A 44 -11.256 6.037 0.831 1.00 0.00 C ATOM 601 O THR A 44 -11.484 6.087 2.023 1.00 0.00 O ATOM 602 CB THR A 44 -12.920 4.813 -0.574 1.00 0.00 C ATOM 603 OG1 THR A 44 -13.618 4.898 -1.808 1.00 0.00 O ATOM 604 CG2 THR A 44 -13.870 4.323 0.519 1.00 0.00 C ATOM 0 H THR A 44 -11.488 6.238 -2.138 1.00 0.00 H new ATOM 0 HA THR A 44 -13.180 6.795 0.225 1.00 0.00 H new ATOM 0 HB THR A 44 -12.092 4.112 -0.674 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.965 4.014 -2.049 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.257 3.340 0.251 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.332 4.255 1.465 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.699 5.024 0.622 1.00 0.00 H new ATOM 612 N LEU A 45 -10.046 5.849 0.381 1.00 0.00 N ATOM 613 CA LEU A 45 -8.912 5.690 1.336 1.00 0.00 C ATOM 614 C LEU A 45 -8.766 6.968 2.168 1.00 0.00 C ATOM 615 O LEU A 45 -8.655 6.924 3.378 1.00 0.00 O ATOM 616 CB LEU A 45 -7.621 5.436 0.553 1.00 0.00 C ATOM 617 CG LEU A 45 -6.720 4.485 1.345 1.00 0.00 C ATOM 618 CD1 LEU A 45 -7.042 3.040 0.961 1.00 0.00 C ATOM 619 CD2 LEU A 45 -5.254 4.782 1.021 1.00 0.00 C ATOM 0 H LEU A 45 -9.793 5.799 -0.606 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.106 4.846 1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.853 5.006 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.103 6.377 0.371 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.893 4.626 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.401 2.362 1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.086 2.827 1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.869 2.900 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.612 4.105 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.081 4.641 -0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.023 5.812 1.293 1.00 0.00 H new ATOM 631 N ALA A 46 -8.771 8.105 1.528 1.00 0.00 N ATOM 632 CA ALA A 46 -8.633 9.383 2.279 1.00 0.00 C ATOM 633 C ALA A 46 -9.807 9.527 3.247 1.00 0.00 C ATOM 634 O ALA A 46 -9.634 9.849 4.406 1.00 0.00 O ATOM 635 CB ALA A 46 -8.634 10.553 1.294 1.00 0.00 C ATOM 0 H ALA A 46 -8.865 8.203 0.517 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.698 9.382 2.838 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.533 11.490 1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.799 10.446 0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.570 10.558 0.736 1.00 0.00 H new ATOM 641 N SER A 47 -11.001 9.283 2.783 1.00 0.00 N ATOM 642 CA SER A 47 -12.185 9.398 3.681 1.00 0.00 C ATOM 643 C SER A 47 -12.339 8.105 4.486 1.00 0.00 C ATOM 644 O SER A 47 -13.240 7.965 5.288 1.00 0.00 O ATOM 645 CB SER A 47 -13.445 9.626 2.844 1.00 0.00 C ATOM 646 OG SER A 47 -13.111 9.574 1.464 1.00 0.00 O ATOM 0 H SER A 47 -11.208 9.009 1.823 1.00 0.00 H new ATOM 0 HA SER A 47 -12.044 10.239 4.360 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.192 8.867 3.077 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.886 10.593 3.087 1.00 0.00 H new ATOM 0 HG SER A 47 -12.924 8.647 1.207 1.00 0.00 H new ATOM 652 N ALA A 48 -11.467 7.155 4.274 1.00 0.00 N ATOM 653 CA ALA A 48 -11.564 5.870 5.020 1.00 0.00 C ATOM 654 C ALA A 48 -10.911 6.021 6.395 1.00 0.00 C ATOM 655 O ALA A 48 -11.204 5.285 7.315 1.00 0.00 O ATOM 656 CB ALA A 48 -10.849 4.771 4.233 1.00 0.00 C ATOM 0 H ALA A 48 -10.691 7.215 3.615 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.613 5.604 5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.919 3.829 4.778 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.317 4.660 3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.800 5.039 4.105 1.00 0.00 H new ATOM 662 N PHE A 49 -10.024 6.968 6.546 1.00 0.00 N ATOM 663 CA PHE A 49 -9.358 7.157 7.867 1.00 0.00 C ATOM 664 C PHE A 49 -10.334 7.814 8.844 1.00 0.00 C ATOM 665 O PHE A 49 -10.010 8.055 9.991 1.00 0.00 O ATOM 666 CB PHE A 49 -8.126 8.049 7.699 1.00 0.00 C ATOM 667 CG PHE A 49 -6.912 7.182 7.479 1.00 0.00 C ATOM 668 CD1 PHE A 49 -6.986 6.088 6.610 1.00 0.00 C ATOM 669 CD2 PHE A 49 -5.712 7.468 8.144 1.00 0.00 C ATOM 670 CE1 PHE A 49 -5.865 5.279 6.403 1.00 0.00 C ATOM 671 CE2 PHE A 49 -4.589 6.659 7.936 1.00 0.00 C ATOM 672 CZ PHE A 49 -4.665 5.564 7.067 1.00 0.00 C ATOM 0 H PHE A 49 -9.733 7.617 5.815 1.00 0.00 H new ATOM 0 HA PHE A 49 -9.052 6.187 8.258 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.263 8.724 6.854 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.989 8.670 8.584 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -7.911 5.868 6.098 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.654 8.311 8.816 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.924 4.435 5.732 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.663 6.880 8.446 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.799 4.939 6.909 1.00 0.00 H new ATOM 682 N ASN A 50 -11.524 8.111 8.402 1.00 0.00 N ATOM 683 CA ASN A 50 -12.514 8.757 9.304 1.00 0.00 C ATOM 684 C ASN A 50 -13.307 7.687 10.062 1.00 0.00 C ATOM 685 O ASN A 50 -13.294 7.639 11.276 1.00 0.00 O ATOM 686 CB ASN A 50 -13.472 9.613 8.474 1.00 0.00 C ATOM 687 CG ASN A 50 -14.339 10.457 9.407 1.00 0.00 C ATOM 688 OD1 ASN A 50 -14.637 10.049 10.512 1.00 0.00 O ATOM 689 ND2 ASN A 50 -14.757 11.627 9.007 1.00 0.00 N ATOM 0 H ASN A 50 -11.853 7.933 7.453 1.00 0.00 H new ATOM 0 HA ASN A 50 -11.989 9.386 10.023 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -12.909 10.259 7.800 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.101 8.975 7.853 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -15.335 12.200 9.622 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -14.506 11.968 8.079 1.00 0.00 H new ATOM 696 N ASN A 51 -14.000 6.828 9.361 1.00 0.00 N ATOM 697 CA ASN A 51 -14.790 5.772 10.059 1.00 0.00 C ATOM 698 C ASN A 51 -14.421 4.394 9.517 1.00 0.00 C ATOM 699 O ASN A 51 -15.019 3.400 9.877 1.00 0.00 O ATOM 700 CB ASN A 51 -16.284 6.026 9.847 1.00 0.00 C ATOM 701 CG ASN A 51 -17.069 5.524 11.061 1.00 0.00 C ATOM 702 OD1 ASN A 51 -17.587 6.389 11.892 1.00 0.00 O flip ATOM 703 ND2 ASN A 51 -17.214 4.333 11.256 1.00 0.00 N flip ATOM 0 H ASN A 51 -14.053 6.812 8.343 1.00 0.00 H new ATOM 0 HA ASN A 51 -14.563 5.804 11.125 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -16.465 7.091 9.700 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -16.625 5.517 8.945 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -16.810 3.657 10.608 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -17.740 4.009 12.068 1.00 0.00 H new ATOM 710 N ALA A 52 -13.432 4.338 8.670 1.00 0.00 N ATOM 711 CA ALA A 52 -12.982 3.035 8.087 1.00 0.00 C ATOM 712 C ALA A 52 -14.170 2.078 7.934 1.00 0.00 C ATOM 713 O ALA A 52 -14.044 0.884 8.115 1.00 0.00 O ATOM 714 CB ALA A 52 -11.936 2.403 9.008 1.00 0.00 C ATOM 0 H ALA A 52 -12.906 5.151 8.350 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.550 3.219 7.103 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.606 1.454 8.586 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.082 3.074 9.103 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.374 2.231 9.991 1.00 0.00 H new ATOM 720 N ASP A 53 -15.323 2.596 7.613 1.00 0.00 N ATOM 721 CA ASP A 53 -16.520 1.722 7.459 1.00 0.00 C ATOM 722 C ASP A 53 -16.443 0.912 6.155 1.00 0.00 C ATOM 723 O ASP A 53 -16.645 -0.286 6.167 1.00 0.00 O ATOM 724 CB ASP A 53 -17.784 2.585 7.442 1.00 0.00 C ATOM 725 CG ASP A 53 -18.873 1.904 8.273 1.00 0.00 C ATOM 726 OD1 ASP A 53 -18.653 0.779 8.692 1.00 0.00 O ATOM 727 OD2 ASP A 53 -19.908 2.517 8.476 1.00 0.00 O ATOM 0 H ASP A 53 -15.488 3.589 7.450 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.551 1.029 8.300 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -17.568 3.574 7.845 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -18.128 2.727 6.417 1.00 0.00 H new ATOM 732 N PRO A 54 -16.175 1.588 5.063 1.00 0.00 N ATOM 733 CA PRO A 54 -16.096 0.939 3.739 1.00 0.00 C ATOM 734 C PRO A 54 -15.006 -0.140 3.711 1.00 0.00 C ATOM 735 O PRO A 54 -14.907 -0.902 2.769 1.00 0.00 O ATOM 736 CB PRO A 54 -15.761 2.076 2.764 1.00 0.00 C ATOM 737 CG PRO A 54 -15.711 3.395 3.575 1.00 0.00 C ATOM 738 CD PRO A 54 -15.928 3.043 5.055 1.00 0.00 C ATOM 0 HA PRO A 54 -17.026 0.432 3.481 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -14.804 1.891 2.276 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -16.513 2.139 1.978 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -14.751 3.892 3.437 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -16.480 4.086 3.230 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -15.055 3.300 5.655 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -16.773 3.590 5.472 1.00 0.00 H new ATOM 746 N ILE A 55 -14.190 -0.220 4.726 1.00 0.00 N ATOM 747 CA ILE A 55 -13.118 -1.261 4.730 1.00 0.00 C ATOM 748 C ILE A 55 -13.474 -2.367 5.726 1.00 0.00 C ATOM 749 O ILE A 55 -13.417 -3.540 5.413 1.00 0.00 O ATOM 750 CB ILE A 55 -11.765 -0.648 5.127 1.00 0.00 C ATOM 751 CG1 ILE A 55 -11.946 0.800 5.608 1.00 0.00 C ATOM 752 CG2 ILE A 55 -10.821 -0.673 3.923 1.00 0.00 C ATOM 753 CD1 ILE A 55 -12.355 1.699 4.436 1.00 0.00 C ATOM 0 H ILE A 55 -14.216 0.384 5.547 1.00 0.00 H new ATOM 0 HA ILE A 55 -13.040 -1.674 3.724 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.341 -1.235 5.942 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -12.706 0.839 6.389 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -11.017 1.164 6.048 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.862 -0.239 4.204 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.672 -1.703 3.599 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.256 -0.095 3.107 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -12.480 2.723 4.789 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.581 1.672 3.669 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -13.295 1.343 4.015 1.00 0.00 H new ATOM 765 N ARG A 56 -13.829 -2.008 6.929 1.00 0.00 N ATOM 766 CA ARG A 56 -14.173 -3.044 7.946 1.00 0.00 C ATOM 767 C ARG A 56 -15.251 -3.982 7.397 1.00 0.00 C ATOM 768 O ARG A 56 -15.438 -5.077 7.890 1.00 0.00 O ATOM 769 CB ARG A 56 -14.691 -2.361 9.216 1.00 0.00 C ATOM 770 CG ARG A 56 -16.017 -1.657 8.917 1.00 0.00 C ATOM 771 CD ARG A 56 -16.912 -1.698 10.157 1.00 0.00 C ATOM 772 NE ARG A 56 -17.791 -2.902 10.098 1.00 0.00 N ATOM 773 CZ ARG A 56 -18.423 -3.306 11.167 1.00 0.00 C ATOM 774 NH1 ARG A 56 -18.283 -2.664 12.297 1.00 0.00 N ATOM 775 NH2 ARG A 56 -19.198 -4.355 11.106 1.00 0.00 N ATOM 0 H ARG A 56 -13.896 -1.043 7.252 1.00 0.00 H new ATOM 0 HA ARG A 56 -13.280 -3.624 8.179 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -14.830 -3.098 10.007 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -13.958 -1.640 9.578 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -15.833 -0.624 8.623 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -16.517 -2.143 8.079 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -16.301 -1.725 11.059 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -17.519 -0.794 10.210 1.00 0.00 H new ATOM 0 HE ARG A 56 -17.899 -3.411 9.221 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -17.678 -1.844 12.346 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -18.779 -2.983 13.130 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -19.309 -4.857 10.225 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -19.693 -4.673 11.939 1.00 0.00 H new ATOM 789 N ALA A 57 -15.965 -3.567 6.387 1.00 0.00 N ATOM 790 CA ALA A 57 -17.030 -4.448 5.826 1.00 0.00 C ATOM 791 C ALA A 57 -16.745 -4.736 4.352 1.00 0.00 C ATOM 792 O ALA A 57 -16.363 -3.862 3.598 1.00 0.00 O ATOM 793 CB ALA A 57 -18.388 -3.754 5.955 1.00 0.00 C ATOM 0 H ALA A 57 -15.859 -2.662 5.928 1.00 0.00 H new ATOM 0 HA ALA A 57 -17.044 -5.387 6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -19.166 -4.398 5.545 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -18.597 -3.556 7.006 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -18.369 -2.813 5.406 1.00 0.00 H new ATOM 799 N SER A 58 -16.934 -5.958 3.936 1.00 0.00 N ATOM 800 CA SER A 58 -16.681 -6.316 2.512 1.00 0.00 C ATOM 801 C SER A 58 -15.301 -5.805 2.090 1.00 0.00 C ATOM 802 O SER A 58 -15.061 -5.533 0.932 1.00 0.00 O ATOM 803 CB SER A 58 -17.755 -5.679 1.629 1.00 0.00 C ATOM 804 OG SER A 58 -18.789 -6.625 1.392 1.00 0.00 O ATOM 0 H SER A 58 -17.254 -6.727 4.524 1.00 0.00 H new ATOM 0 HA SER A 58 -16.713 -7.400 2.400 1.00 0.00 H new ATOM 0 HB2 SER A 58 -18.162 -4.792 2.114 1.00 0.00 H new ATOM 0 HB3 SER A 58 -17.320 -5.354 0.684 1.00 0.00 H new ATOM 0 HG SER A 58 -19.480 -6.220 0.828 1.00 0.00 H new ATOM 810 N GLY A 59 -14.393 -5.676 3.019 1.00 0.00 N ATOM 811 CA GLY A 59 -13.031 -5.183 2.665 1.00 0.00 C ATOM 812 C GLY A 59 -13.153 -4.004 1.701 1.00 0.00 C ATOM 813 O GLY A 59 -13.979 -3.129 1.877 1.00 0.00 O ATOM 0 H GLY A 59 -14.535 -5.890 4.006 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.497 -4.877 3.565 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.450 -5.983 2.206 1.00 0.00 H new ATOM 817 N PHE A 60 -12.342 -3.972 0.679 1.00 0.00 N ATOM 818 CA PHE A 60 -12.422 -2.848 -0.297 1.00 0.00 C ATOM 819 C PHE A 60 -12.057 -3.361 -1.692 1.00 0.00 C ATOM 820 O PHE A 60 -11.205 -4.213 -1.846 1.00 0.00 O ATOM 821 CB PHE A 60 -11.452 -1.739 0.115 1.00 0.00 C ATOM 822 CG PHE A 60 -10.048 -2.290 0.187 1.00 0.00 C ATOM 823 CD1 PHE A 60 -9.727 -3.271 1.133 1.00 0.00 C ATOM 824 CD2 PHE A 60 -9.066 -1.817 -0.693 1.00 0.00 C ATOM 825 CE1 PHE A 60 -8.425 -3.780 1.199 1.00 0.00 C ATOM 826 CE2 PHE A 60 -7.764 -2.326 -0.627 1.00 0.00 C ATOM 827 CZ PHE A 60 -7.443 -3.307 0.319 1.00 0.00 C ATOM 0 H PHE A 60 -11.629 -4.673 0.478 1.00 0.00 H new ATOM 0 HA PHE A 60 -13.436 -2.449 -0.311 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -11.495 -0.920 -0.603 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -11.742 -1.330 1.083 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -10.484 -3.635 1.812 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.314 -1.060 -1.422 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.177 -4.537 1.928 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -7.007 -1.962 -1.306 1.00 0.00 H new ATOM 0 HZ PHE A 60 -6.438 -3.699 0.370 1.00 0.00 H new ATOM 837 N ASP A 61 -12.701 -2.856 -2.708 1.00 0.00 N ATOM 838 CA ASP A 61 -12.394 -3.322 -4.089 1.00 0.00 C ATOM 839 C ASP A 61 -11.511 -2.293 -4.798 1.00 0.00 C ATOM 840 O ASP A 61 -11.831 -1.123 -4.865 1.00 0.00 O ATOM 841 CB ASP A 61 -13.698 -3.500 -4.870 1.00 0.00 C ATOM 842 CG ASP A 61 -14.463 -4.700 -4.312 1.00 0.00 C ATOM 843 OD1 ASP A 61 -14.390 -4.919 -3.114 1.00 0.00 O ATOM 844 OD2 ASP A 61 -15.111 -5.379 -5.092 1.00 0.00 O ATOM 0 H ASP A 61 -13.426 -2.141 -2.641 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.867 -4.275 -4.038 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.307 -2.599 -4.794 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.484 -3.651 -5.928 1.00 0.00 H new ATOM 849 N LEU A 62 -10.402 -2.728 -5.328 1.00 0.00 N ATOM 850 CA LEU A 62 -9.488 -1.789 -6.038 1.00 0.00 C ATOM 851 C LEU A 62 -9.796 -1.813 -7.538 1.00 0.00 C ATOM 852 O LEU A 62 -10.862 -2.222 -7.956 1.00 0.00 O ATOM 853 CB LEU A 62 -8.039 -2.229 -5.813 1.00 0.00 C ATOM 854 CG LEU A 62 -7.289 -1.144 -5.040 1.00 0.00 C ATOM 855 CD1 LEU A 62 -7.471 -1.371 -3.539 1.00 0.00 C ATOM 856 CD2 LEU A 62 -5.800 -1.207 -5.389 1.00 0.00 C ATOM 0 H LEU A 62 -10.088 -3.698 -5.300 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.631 -0.779 -5.653 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.015 -3.167 -5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.551 -2.411 -6.770 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.684 -0.165 -5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.937 -0.598 -2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.531 -1.327 -3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.075 -2.350 -3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.264 -0.434 -4.838 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.404 -2.186 -5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.670 -1.046 -6.459 1.00 0.00 H new ATOM 868 N ALA A 63 -8.872 -1.379 -8.351 1.00 0.00 N ATOM 869 CA ALA A 63 -9.110 -1.378 -9.822 1.00 0.00 C ATOM 870 C ALA A 63 -8.551 -2.666 -10.430 1.00 0.00 C ATOM 871 O ALA A 63 -7.380 -2.761 -10.739 1.00 0.00 O ATOM 872 CB ALA A 63 -8.406 -0.175 -10.450 1.00 0.00 C ATOM 0 H ALA A 63 -7.961 -1.025 -8.059 1.00 0.00 H new ATOM 0 HA ALA A 63 -10.181 -1.318 -10.016 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.579 -0.173 -11.526 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.801 0.744 -10.017 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.335 -0.237 -10.255 1.00 0.00 H new ATOM 878 N GLY A 64 -9.378 -3.661 -10.603 1.00 0.00 N ATOM 879 CA GLY A 64 -8.892 -4.943 -11.192 1.00 0.00 C ATOM 880 C GLY A 64 -8.377 -5.855 -10.076 1.00 0.00 C ATOM 881 O GLY A 64 -8.333 -7.062 -10.219 1.00 0.00 O ATOM 0 H GLY A 64 -10.369 -3.642 -10.362 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.699 -5.435 -11.735 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.097 -4.747 -11.912 1.00 0.00 H new ATOM 885 N VAL A 65 -7.988 -5.290 -8.966 1.00 0.00 N ATOM 886 CA VAL A 65 -7.480 -6.124 -7.839 1.00 0.00 C ATOM 887 C VAL A 65 -8.280 -5.795 -6.581 1.00 0.00 C ATOM 888 O VAL A 65 -8.802 -4.708 -6.437 1.00 0.00 O ATOM 889 CB VAL A 65 -5.994 -5.831 -7.583 1.00 0.00 C ATOM 890 CG1 VAL A 65 -5.231 -7.152 -7.470 1.00 0.00 C ATOM 891 CG2 VAL A 65 -5.407 -5.006 -8.736 1.00 0.00 C ATOM 0 H VAL A 65 -8.000 -4.285 -8.790 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.592 -7.177 -8.095 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.900 -5.264 -6.657 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.176 -6.948 -7.288 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.635 -7.736 -6.643 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.337 -7.714 -8.398 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.353 -4.806 -8.541 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.504 -5.563 -9.668 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.946 -4.062 -8.819 1.00 0.00 H new ATOM 901 N HIS A 66 -8.389 -6.722 -5.671 1.00 0.00 N ATOM 902 CA HIS A 66 -9.164 -6.455 -4.428 1.00 0.00 C ATOM 903 C HIS A 66 -8.577 -7.271 -3.274 1.00 0.00 C ATOM 904 O HIS A 66 -7.984 -8.312 -3.478 1.00 0.00 O ATOM 905 CB HIS A 66 -10.623 -6.859 -4.648 1.00 0.00 C ATOM 906 CG HIS A 66 -10.677 -8.300 -5.074 1.00 0.00 C ATOM 907 ND1 HIS A 66 -10.397 -9.465 -4.404 1.00 0.00 N flip ATOM 908 CD2 HIS A 66 -11.054 -8.679 -6.353 1.00 0.00 C flip ATOM 909 CE1 HIS A 66 -10.595 -10.551 -5.251 1.00 0.00 C flip ATOM 910 NE2 HIS A 66 -10.989 -10.022 -6.413 1.00 0.00 N flip ATOM 0 H HIS A 66 -7.975 -7.652 -5.734 1.00 0.00 H new ATOM 0 HA HIS A 66 -9.110 -5.394 -4.184 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -11.195 -6.717 -3.731 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -11.078 -6.225 -5.409 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -11.346 -8.017 -7.155 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -10.459 -11.597 -5.019 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -11.213 -10.569 -7.244 1.00 0.00 H new ATOM 918 N TYR A 67 -8.742 -6.810 -2.065 1.00 0.00 N ATOM 919 CA TYR A 67 -8.198 -7.561 -0.899 1.00 0.00 C ATOM 920 C TYR A 67 -9.186 -7.470 0.266 1.00 0.00 C ATOM 921 O TYR A 67 -10.290 -6.983 0.118 1.00 0.00 O ATOM 922 CB TYR A 67 -6.857 -6.959 -0.480 1.00 0.00 C ATOM 923 CG TYR A 67 -5.988 -6.770 -1.700 1.00 0.00 C ATOM 924 CD1 TYR A 67 -6.122 -5.616 -2.480 1.00 0.00 C ATOM 925 CD2 TYR A 67 -5.049 -7.747 -2.049 1.00 0.00 C ATOM 926 CE1 TYR A 67 -5.316 -5.439 -3.611 1.00 0.00 C ATOM 927 CE2 TYR A 67 -4.243 -7.570 -3.180 1.00 0.00 C ATOM 928 CZ TYR A 67 -4.376 -6.415 -3.961 1.00 0.00 C ATOM 929 OH TYR A 67 -3.582 -6.240 -5.075 1.00 0.00 O ATOM 0 H TYR A 67 -9.231 -5.945 -1.834 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.052 -8.605 -1.175 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.015 -6.003 0.019 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.360 -7.614 0.236 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.847 -4.862 -2.210 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.946 -8.637 -1.446 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.420 -4.549 -4.214 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.519 -8.324 -3.450 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.984 -7.010 -5.174 1.00 0.00 H new ATOM 939 N VAL A 68 -8.802 -7.934 1.423 1.00 0.00 N ATOM 940 CA VAL A 68 -9.724 -7.871 2.591 1.00 0.00 C ATOM 941 C VAL A 68 -9.119 -6.976 3.675 1.00 0.00 C ATOM 942 O VAL A 68 -7.919 -6.811 3.758 1.00 0.00 O ATOM 943 CB VAL A 68 -9.938 -9.279 3.148 1.00 0.00 C ATOM 944 CG1 VAL A 68 -11.044 -9.247 4.206 1.00 0.00 C ATOM 945 CG2 VAL A 68 -10.343 -10.220 2.011 1.00 0.00 C ATOM 0 H VAL A 68 -7.891 -8.353 1.610 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.682 -7.457 2.275 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.013 -9.636 3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.197 -10.251 4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -10.754 -8.577 5.015 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -11.970 -8.891 3.754 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.496 -11.224 2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.268 -9.864 1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.554 -10.243 1.259 1.00 0.00 H new ATOM 955 N THR A 69 -9.945 -6.395 4.500 1.00 0.00 N ATOM 956 CA THR A 69 -9.424 -5.506 5.577 1.00 0.00 C ATOM 957 C THR A 69 -9.879 -6.033 6.941 1.00 0.00 C ATOM 958 O THR A 69 -11.055 -6.224 7.182 1.00 0.00 O ATOM 959 CB THR A 69 -9.968 -4.091 5.368 1.00 0.00 C ATOM 960 OG1 THR A 69 -10.322 -3.920 4.002 1.00 0.00 O ATOM 961 CG2 THR A 69 -8.899 -3.067 5.751 1.00 0.00 C ATOM 0 H THR A 69 -10.960 -6.497 4.475 1.00 0.00 H new ATOM 0 HA THR A 69 -8.335 -5.489 5.543 1.00 0.00 H new ATOM 0 HB THR A 69 -10.848 -3.944 5.995 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.513 -3.764 3.471 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.289 -2.060 5.601 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.628 -3.199 6.798 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.017 -3.211 5.127 1.00 0.00 H new ATOM 969 N LEU A 70 -8.957 -6.270 7.835 1.00 0.00 N ATOM 970 CA LEU A 70 -9.339 -6.783 9.180 1.00 0.00 C ATOM 971 C LEU A 70 -8.669 -5.933 10.263 1.00 0.00 C ATOM 972 O LEU A 70 -9.235 -5.685 11.308 1.00 0.00 O ATOM 973 CB LEU A 70 -8.887 -8.239 9.319 1.00 0.00 C ATOM 974 CG LEU A 70 -7.571 -8.440 8.567 1.00 0.00 C ATOM 975 CD1 LEU A 70 -6.677 -9.406 9.350 1.00 0.00 C ATOM 976 CD2 LEU A 70 -7.860 -9.022 7.183 1.00 0.00 C ATOM 0 H LEU A 70 -7.957 -6.130 7.691 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.421 -6.727 9.295 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.759 -8.492 10.371 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.651 -8.907 8.921 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.063 -7.481 8.460 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.739 -9.549 8.814 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.471 -8.992 10.337 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.184 -10.365 9.457 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.923 -9.166 6.646 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.368 -9.981 7.290 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.496 -8.335 6.625 1.00 0.00 H new ATOM 988 N ARG A 71 -7.466 -5.485 10.022 1.00 0.00 N ATOM 989 CA ARG A 71 -6.766 -4.652 11.042 1.00 0.00 C ATOM 990 C ARG A 71 -6.456 -3.274 10.450 1.00 0.00 C ATOM 991 O ARG A 71 -5.319 -2.946 10.178 1.00 0.00 O ATOM 992 CB ARG A 71 -5.461 -5.340 11.454 1.00 0.00 C ATOM 993 CG ARG A 71 -4.711 -4.463 12.459 1.00 0.00 C ATOM 994 CD ARG A 71 -3.373 -4.033 11.859 1.00 0.00 C ATOM 995 NE ARG A 71 -2.273 -4.293 12.840 1.00 0.00 N ATOM 996 CZ ARG A 71 -2.350 -3.877 14.080 1.00 0.00 C ATOM 997 NH1 ARG A 71 -3.318 -3.087 14.463 1.00 0.00 N ATOM 998 NH2 ARG A 71 -1.421 -4.215 14.933 1.00 0.00 N ATOM 0 H ARG A 71 -6.939 -5.659 9.166 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.405 -4.534 11.917 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.675 -6.314 11.895 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.839 -5.517 10.576 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.308 -3.586 12.710 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.547 -5.012 13.386 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.186 -4.580 10.935 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -3.402 -2.974 11.603 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.445 -4.805 12.536 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -4.026 -2.786 13.793 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.365 -2.771 15.432 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.641 -4.800 14.633 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.475 -3.894 15.900 1.00 0.00 H new ATOM 1012 N ALA A 72 -7.462 -2.466 10.247 1.00 0.00 N ATOM 1013 CA ALA A 72 -7.226 -1.111 9.673 1.00 0.00 C ATOM 1014 C ALA A 72 -7.798 -0.052 10.617 1.00 0.00 C ATOM 1015 O ALA A 72 -8.196 1.017 10.200 1.00 0.00 O ATOM 1016 CB ALA A 72 -7.919 -1.008 8.312 1.00 0.00 C ATOM 0 H ALA A 72 -8.436 -2.686 10.454 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.155 -0.948 9.550 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.748 -0.018 7.890 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.514 -1.764 7.639 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.990 -1.169 8.436 1.00 0.00 H new ATOM 1022 N ASP A 73 -7.841 -0.341 11.889 1.00 0.00 N ATOM 1023 CA ASP A 73 -8.386 0.647 12.859 1.00 0.00 C ATOM 1024 C ASP A 73 -7.232 1.384 13.545 1.00 0.00 C ATOM 1025 O ASP A 73 -7.441 2.238 14.383 1.00 0.00 O ATOM 1026 CB ASP A 73 -9.217 -0.084 13.914 1.00 0.00 C ATOM 1027 CG ASP A 73 -10.692 -0.067 13.506 1.00 0.00 C ATOM 1028 OD1 ASP A 73 -10.985 0.445 12.438 1.00 0.00 O ATOM 1029 OD2 ASP A 73 -11.502 -0.570 14.267 1.00 0.00 O ATOM 0 H ASP A 73 -7.522 -1.219 12.297 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.013 1.366 12.331 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.869 -1.112 14.018 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.092 0.394 14.886 1.00 0.00 H new ATOM 1034 N ASP A 74 -6.015 1.060 13.200 1.00 0.00 N ATOM 1035 CA ASP A 74 -4.856 1.743 13.841 1.00 0.00 C ATOM 1036 C ASP A 74 -4.235 2.747 12.863 1.00 0.00 C ATOM 1037 O ASP A 74 -4.680 3.872 12.754 1.00 0.00 O ATOM 1038 CB ASP A 74 -3.806 0.705 14.248 1.00 0.00 C ATOM 1039 CG ASP A 74 -2.553 1.420 14.761 1.00 0.00 C ATOM 1040 OD1 ASP A 74 -2.625 2.012 15.825 1.00 0.00 O ATOM 1041 OD2 ASP A 74 -1.542 1.362 14.079 1.00 0.00 O ATOM 0 H ASP A 74 -5.774 0.354 12.504 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.202 2.275 14.728 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.207 0.051 15.022 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.554 0.073 13.396 1.00 0.00 H new ATOM 1046 N ARG A 75 -3.206 2.357 12.156 1.00 0.00 N ATOM 1047 CA ARG A 75 -2.563 3.305 11.200 1.00 0.00 C ATOM 1048 C ARG A 75 -2.123 2.559 9.936 1.00 0.00 C ATOM 1049 O ARG A 75 -2.192 3.084 8.843 1.00 0.00 O ATOM 1050 CB ARG A 75 -1.338 3.939 11.862 1.00 0.00 C ATOM 1051 CG ARG A 75 -1.382 5.458 11.678 1.00 0.00 C ATOM 1052 CD ARG A 75 -0.554 6.127 12.778 1.00 0.00 C ATOM 1053 NE ARG A 75 -1.229 5.930 14.101 1.00 0.00 N ATOM 1054 CZ ARG A 75 -2.472 6.284 14.281 1.00 0.00 C ATOM 1055 NH1 ARG A 75 -3.079 7.031 13.399 1.00 0.00 N ATOM 1056 NH2 ARG A 75 -3.088 5.949 15.382 1.00 0.00 N ATOM 0 H ARG A 75 -2.786 1.429 12.199 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.281 4.079 10.928 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.317 3.692 12.923 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.425 3.536 11.423 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.990 5.728 10.697 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.413 5.811 11.718 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.449 5.701 12.803 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.444 7.191 12.569 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.709 5.513 14.873 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.582 7.341 12.564 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.051 7.305 13.545 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.598 5.413 16.098 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.060 6.224 15.527 1.00 0.00 H new ATOM 1070 N SER A 76 -1.666 1.346 10.076 1.00 0.00 N ATOM 1071 CA SER A 76 -1.216 0.582 8.878 1.00 0.00 C ATOM 1072 C SER A 76 -2.398 -0.193 8.291 1.00 0.00 C ATOM 1073 O SER A 76 -3.305 -0.583 8.997 1.00 0.00 O ATOM 1074 CB SER A 76 -0.115 -0.395 9.288 1.00 0.00 C ATOM 1075 OG SER A 76 0.405 -0.010 10.554 1.00 0.00 O ATOM 0 H SER A 76 -1.585 0.852 10.964 1.00 0.00 H new ATOM 0 HA SER A 76 -0.830 1.272 8.128 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.512 -1.409 9.338 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.679 -0.400 8.542 1.00 0.00 H new ATOM 0 HG SER A 76 1.111 -0.635 10.822 1.00 0.00 H new ATOM 1081 N ILE A 77 -2.400 -0.410 7.002 1.00 0.00 N ATOM 1082 CA ILE A 77 -3.532 -1.149 6.377 1.00 0.00 C ATOM 1083 C ILE A 77 -3.025 -2.025 5.224 1.00 0.00 C ATOM 1084 O ILE A 77 -3.309 -1.766 4.071 1.00 0.00 O ATOM 1085 CB ILE A 77 -4.549 -0.143 5.830 1.00 0.00 C ATOM 1086 CG1 ILE A 77 -4.936 0.849 6.931 1.00 0.00 C ATOM 1087 CG2 ILE A 77 -5.801 -0.884 5.355 1.00 0.00 C ATOM 1088 CD1 ILE A 77 -4.071 2.104 6.816 1.00 0.00 C ATOM 0 H ILE A 77 -1.669 -0.108 6.358 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.998 -1.785 7.130 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.105 0.396 4.993 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.990 1.112 6.844 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.802 0.391 7.911 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.523 -0.166 4.966 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.530 -1.589 4.569 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -6.242 -1.426 6.191 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -4.347 2.809 7.600 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.021 1.833 6.925 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.227 2.566 5.841 1.00 0.00 H new ATOM 1100 N TYR A 78 -2.299 -3.073 5.516 1.00 0.00 N ATOM 1101 CA TYR A 78 -1.812 -3.959 4.416 1.00 0.00 C ATOM 1102 C TYR A 78 -2.861 -5.052 4.172 1.00 0.00 C ATOM 1103 O TYR A 78 -2.863 -6.078 4.822 1.00 0.00 O ATOM 1104 CB TYR A 78 -0.473 -4.621 4.785 1.00 0.00 C ATOM 1105 CG TYR A 78 0.262 -3.817 5.837 1.00 0.00 C ATOM 1106 CD1 TYR A 78 -0.045 -3.996 7.193 1.00 0.00 C ATOM 1107 CD2 TYR A 78 1.266 -2.909 5.461 1.00 0.00 C ATOM 1108 CE1 TYR A 78 0.643 -3.267 8.169 1.00 0.00 C ATOM 1109 CE2 TYR A 78 1.953 -2.184 6.442 1.00 0.00 C ATOM 1110 CZ TYR A 78 1.642 -2.362 7.794 1.00 0.00 C ATOM 1111 OH TYR A 78 2.322 -1.646 8.758 1.00 0.00 O ATOM 0 H TYR A 78 -2.024 -3.352 6.458 1.00 0.00 H new ATOM 0 HA TYR A 78 -1.659 -3.357 3.520 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -0.653 -5.631 5.154 1.00 0.00 H new ATOM 0 HB3 TYR A 78 0.148 -4.713 3.894 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -0.813 -4.697 7.484 1.00 0.00 H new ATOM 0 HD2 TYR A 78 1.507 -2.771 4.417 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.403 -3.403 9.213 1.00 0.00 H new ATOM 0 HE2 TYR A 78 2.725 -1.486 6.154 1.00 0.00 H new ATOM 0 HH TYR A 78 2.983 -1.064 8.328 1.00 0.00 H new ATOM 1121 N GLY A 79 -3.757 -4.835 3.246 1.00 0.00 N ATOM 1122 CA GLY A 79 -4.813 -5.856 2.969 1.00 0.00 C ATOM 1123 C GLY A 79 -4.239 -6.982 2.107 1.00 0.00 C ATOM 1124 O GLY A 79 -3.648 -6.745 1.074 1.00 0.00 O ATOM 0 H GLY A 79 -3.804 -3.995 2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.193 -6.262 3.907 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.656 -5.390 2.459 1.00 0.00 H new ATOM 1128 N LYS A 80 -4.411 -8.210 2.520 1.00 0.00 N ATOM 1129 CA LYS A 80 -3.873 -9.347 1.717 1.00 0.00 C ATOM 1130 C LYS A 80 -4.749 -10.585 1.928 1.00 0.00 C ATOM 1131 O LYS A 80 -5.283 -10.806 2.997 1.00 0.00 O ATOM 1132 CB LYS A 80 -2.429 -9.668 2.139 1.00 0.00 C ATOM 1133 CG LYS A 80 -2.042 -8.869 3.390 1.00 0.00 C ATOM 1134 CD LYS A 80 -2.667 -9.518 4.627 1.00 0.00 C ATOM 1135 CE LYS A 80 -1.562 -9.883 5.619 1.00 0.00 C ATOM 1136 NZ LYS A 80 -2.156 -10.104 6.967 1.00 0.00 N ATOM 0 H LYS A 80 -4.899 -8.474 3.376 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.880 -9.064 0.664 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.331 -10.735 2.338 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.745 -9.432 1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.957 -8.837 3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.384 -7.838 3.296 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.377 -8.834 5.091 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.224 -10.410 4.341 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.043 -10.782 5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.821 -9.085 5.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.404 -10.352 7.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.632 -9.235 7.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.847 -10.879 6.919 1.00 0.00 H new ATOM 1150 N LYS A 81 -4.895 -11.398 0.917 1.00 0.00 N ATOM 1151 CA LYS A 81 -5.731 -12.624 1.058 1.00 0.00 C ATOM 1152 C LYS A 81 -5.693 -13.423 -0.247 1.00 0.00 C ATOM 1153 O LYS A 81 -5.570 -12.869 -1.322 1.00 0.00 O ATOM 1154 CB LYS A 81 -7.176 -12.230 1.372 1.00 0.00 C ATOM 1155 CG LYS A 81 -7.485 -12.558 2.834 1.00 0.00 C ATOM 1156 CD LYS A 81 -8.664 -13.530 2.903 1.00 0.00 C ATOM 1157 CE LYS A 81 -8.613 -14.299 4.224 1.00 0.00 C ATOM 1158 NZ LYS A 81 -9.465 -15.516 4.120 1.00 0.00 N ATOM 0 H LYS A 81 -4.471 -11.266 -0.001 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.338 -13.235 1.871 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.323 -11.166 1.188 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.862 -12.765 0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.609 -12.998 3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.721 -11.645 3.380 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.604 -12.984 2.823 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.626 -14.224 2.064 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.585 -14.580 4.455 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.962 -13.666 5.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.432 -16.041 5.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.446 -15.237 3.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.113 -16.122 3.352 1.00 0.00 H new ATOM 1172 N GLY A 82 -5.799 -14.721 -0.162 1.00 0.00 N ATOM 1173 CA GLY A 82 -5.770 -15.555 -1.396 1.00 0.00 C ATOM 1174 C GLY A 82 -4.319 -15.795 -1.818 1.00 0.00 C ATOM 1175 O GLY A 82 -3.601 -16.553 -1.198 1.00 0.00 O ATOM 0 H GLY A 82 -5.905 -15.240 0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.269 -16.507 -1.216 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.315 -15.056 -2.197 1.00 0.00 H new ATOM 1179 N SER A 83 -3.882 -15.153 -2.867 1.00 0.00 N ATOM 1180 CA SER A 83 -2.475 -15.346 -3.322 1.00 0.00 C ATOM 1181 C SER A 83 -1.859 -13.987 -3.671 1.00 0.00 C ATOM 1182 O SER A 83 -0.766 -13.905 -4.195 1.00 0.00 O ATOM 1183 CB SER A 83 -2.454 -16.250 -4.558 1.00 0.00 C ATOM 1184 OG SER A 83 -2.863 -17.561 -4.187 1.00 0.00 O ATOM 0 H SER A 83 -4.436 -14.505 -3.427 1.00 0.00 H new ATOM 0 HA SER A 83 -1.898 -15.812 -2.524 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.119 -15.852 -5.325 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.452 -16.277 -4.987 1.00 0.00 H new ATOM 0 HG SER A 83 -2.852 -18.142 -4.976 1.00 0.00 H new ATOM 1190 N ALA A 84 -2.551 -12.918 -3.379 1.00 0.00 N ATOM 1191 CA ALA A 84 -2.007 -11.564 -3.687 1.00 0.00 C ATOM 1192 C ALA A 84 -2.133 -10.678 -2.446 1.00 0.00 C ATOM 1193 O ALA A 84 -2.649 -11.096 -1.428 1.00 0.00 O ATOM 1194 CB ALA A 84 -2.799 -10.944 -4.840 1.00 0.00 C ATOM 0 H ALA A 84 -3.471 -12.925 -2.940 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.959 -11.647 -3.974 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.401 -9.954 -5.064 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.714 -11.578 -5.722 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.848 -10.857 -4.556 1.00 0.00 H new ATOM 1200 N GLY A 85 -1.671 -9.458 -2.514 1.00 0.00 N ATOM 1201 CA GLY A 85 -1.778 -8.567 -1.321 1.00 0.00 C ATOM 1202 C GLY A 85 -1.425 -7.126 -1.700 1.00 0.00 C ATOM 1203 O GLY A 85 -1.062 -6.834 -2.822 1.00 0.00 O ATOM 0 H GLY A 85 -1.229 -9.043 -3.334 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.790 -8.607 -0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.109 -8.918 -0.535 1.00 0.00 H new ATOM 1207 N VAL A 86 -1.527 -6.226 -0.759 1.00 0.00 N ATOM 1208 CA VAL A 86 -1.200 -4.798 -1.034 1.00 0.00 C ATOM 1209 C VAL A 86 -0.759 -4.135 0.271 1.00 0.00 C ATOM 1210 O VAL A 86 -1.474 -4.149 1.255 1.00 0.00 O ATOM 1211 CB VAL A 86 -2.438 -4.081 -1.578 1.00 0.00 C ATOM 1212 CG1 VAL A 86 -3.492 -3.977 -0.473 1.00 0.00 C ATOM 1213 CG2 VAL A 86 -2.048 -2.673 -2.038 1.00 0.00 C ATOM 0 H VAL A 86 -1.826 -6.421 0.197 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.400 -4.738 -1.772 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.844 -4.643 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.374 -3.467 -0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.768 -4.977 -0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.085 -3.413 0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.928 -2.160 -2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.644 -2.113 -1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.294 -2.742 -2.822 1.00 0.00 H new ATOM 1223 N ILE A 87 0.413 -3.563 0.296 1.00 0.00 N ATOM 1224 CA ILE A 87 0.892 -2.913 1.547 1.00 0.00 C ATOM 1225 C ILE A 87 0.582 -1.414 1.504 1.00 0.00 C ATOM 1226 O ILE A 87 1.294 -0.638 0.899 1.00 0.00 O ATOM 1227 CB ILE A 87 2.405 -3.135 1.688 1.00 0.00 C ATOM 1228 CG1 ILE A 87 2.655 -4.554 2.207 1.00 0.00 C ATOM 1229 CG2 ILE A 87 2.999 -2.125 2.676 1.00 0.00 C ATOM 1230 CD1 ILE A 87 4.008 -5.054 1.698 1.00 0.00 C ATOM 0 H ILE A 87 1.058 -3.518 -0.493 1.00 0.00 H new ATOM 0 HA ILE A 87 0.383 -3.352 2.405 1.00 0.00 H new ATOM 0 HB ILE A 87 2.879 -3.001 0.716 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.639 -4.562 3.297 1.00 0.00 H new ATOM 0 HG13 ILE A 87 1.860 -5.220 1.872 1.00 0.00 H new ATOM 0 HG21 ILE A 87 4.072 -2.293 2.767 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.820 -1.113 2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.528 -2.250 3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.185 -6.064 2.068 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.006 -5.062 0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.798 -4.393 2.055 1.00 0.00 H new ATOM 1242 N THR A 88 -0.471 -1.003 2.156 1.00 0.00 N ATOM 1243 CA THR A 88 -0.821 0.444 2.170 1.00 0.00 C ATOM 1244 C THR A 88 -0.477 1.020 3.545 1.00 0.00 C ATOM 1245 O THR A 88 -1.125 0.729 4.530 1.00 0.00 O ATOM 1246 CB THR A 88 -2.317 0.613 1.895 1.00 0.00 C ATOM 1247 OG1 THR A 88 -3.051 0.321 3.076 1.00 0.00 O ATOM 1248 CG2 THR A 88 -2.740 -0.341 0.776 1.00 0.00 C ATOM 0 H THR A 88 -1.104 -1.608 2.680 1.00 0.00 H new ATOM 0 HA THR A 88 -0.259 0.971 1.399 1.00 0.00 H new ATOM 0 HB THR A 88 -2.519 1.640 1.589 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.156 -0.649 3.165 1.00 0.00 H new ATOM 0 HG21 THR A 88 -3.805 -0.221 0.579 1.00 0.00 H new ATOM 0 HG22 THR A 88 -2.176 -0.113 -0.129 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.540 -1.369 1.079 1.00 0.00 H new ATOM 1256 N VAL A 89 0.549 1.825 3.623 1.00 0.00 N ATOM 1257 CA VAL A 89 0.942 2.402 4.942 1.00 0.00 C ATOM 1258 C VAL A 89 1.091 3.920 4.827 1.00 0.00 C ATOM 1259 O VAL A 89 1.014 4.484 3.753 1.00 0.00 O ATOM 1260 CB VAL A 89 2.280 1.800 5.385 1.00 0.00 C ATOM 1261 CG1 VAL A 89 2.331 1.727 6.911 1.00 0.00 C ATOM 1262 CG2 VAL A 89 2.433 0.390 4.806 1.00 0.00 C ATOM 0 H VAL A 89 1.130 2.107 2.834 1.00 0.00 H new ATOM 0 HA VAL A 89 0.169 2.169 5.674 1.00 0.00 H new ATOM 0 HB VAL A 89 3.091 2.431 5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.283 1.299 7.223 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.230 2.730 7.327 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.516 1.101 7.273 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.386 -0.033 5.124 1.00 0.00 H new ATOM 0 HG22 VAL A 89 1.619 -0.240 5.164 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.403 0.438 3.717 1.00 0.00 H new ATOM 1272 N LYS A 90 1.314 4.584 5.930 1.00 0.00 N ATOM 1273 CA LYS A 90 1.482 6.065 5.894 1.00 0.00 C ATOM 1274 C LYS A 90 2.973 6.398 5.981 1.00 0.00 C ATOM 1275 O LYS A 90 3.722 5.739 6.673 1.00 0.00 O ATOM 1276 CB LYS A 90 0.745 6.691 7.079 1.00 0.00 C ATOM 1277 CG LYS A 90 -0.740 6.832 6.738 1.00 0.00 C ATOM 1278 CD LYS A 90 -1.335 8.007 7.517 1.00 0.00 C ATOM 1279 CE LYS A 90 -1.498 7.616 8.986 1.00 0.00 C ATOM 1280 NZ LYS A 90 -2.456 8.550 9.645 1.00 0.00 N ATOM 0 H LYS A 90 1.387 4.163 6.856 1.00 0.00 H new ATOM 0 HA LYS A 90 1.070 6.462 4.966 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.868 6.071 7.967 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.170 7.667 7.311 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.864 6.992 5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.270 5.912 6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.687 8.879 7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.301 8.285 7.095 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.861 6.591 9.063 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.533 7.651 9.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.985 9.027 10.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.778 9.260 8.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.275 8.015 9.999 1.00 0.00 H new ATOM 1294 N THR A 91 3.415 7.405 5.279 1.00 0.00 N ATOM 1295 CA THR A 91 4.862 7.759 5.324 1.00 0.00 C ATOM 1296 C THR A 91 5.035 9.273 5.121 1.00 0.00 C ATOM 1297 O THR A 91 4.317 10.066 5.692 1.00 0.00 O ATOM 1298 CB THR A 91 5.606 6.988 4.228 1.00 0.00 C ATOM 1299 OG1 THR A 91 5.064 7.325 2.958 1.00 0.00 O ATOM 1300 CG2 THR A 91 5.456 5.486 4.465 1.00 0.00 C ATOM 0 H THR A 91 2.840 7.996 4.679 1.00 0.00 H new ATOM 0 HA THR A 91 5.275 7.488 6.296 1.00 0.00 H new ATOM 0 HB THR A 91 6.663 7.254 4.254 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.100 7.482 3.045 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.986 4.940 3.685 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.875 5.227 5.437 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.400 5.218 4.442 1.00 0.00 H new ATOM 1308 N SER A 92 5.994 9.682 4.329 1.00 0.00 N ATOM 1309 CA SER A 92 6.226 11.140 4.116 1.00 0.00 C ATOM 1310 C SER A 92 5.060 11.781 3.352 1.00 0.00 C ATOM 1311 O SER A 92 5.114 11.952 2.151 1.00 0.00 O ATOM 1312 CB SER A 92 7.515 11.327 3.315 1.00 0.00 C ATOM 1313 OG SER A 92 8.447 12.063 4.095 1.00 0.00 O ATOM 0 H SER A 92 6.627 9.066 3.820 1.00 0.00 H new ATOM 0 HA SER A 92 6.306 11.624 5.089 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.934 10.357 3.045 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.306 11.854 2.384 1.00 0.00 H new ATOM 0 HG SER A 92 9.276 12.184 3.586 1.00 0.00 H new ATOM 1319 N LYS A 93 4.019 12.156 4.045 1.00 0.00 N ATOM 1320 CA LYS A 93 2.862 12.809 3.367 1.00 0.00 C ATOM 1321 C LYS A 93 2.418 11.965 2.176 1.00 0.00 C ATOM 1322 O LYS A 93 1.980 12.480 1.167 1.00 0.00 O ATOM 1323 CB LYS A 93 3.281 14.198 2.879 1.00 0.00 C ATOM 1324 CG LYS A 93 3.803 15.021 4.060 1.00 0.00 C ATOM 1325 CD LYS A 93 4.764 16.098 3.552 1.00 0.00 C ATOM 1326 CE LYS A 93 6.074 16.032 4.339 1.00 0.00 C ATOM 1327 NZ LYS A 93 5.928 16.795 5.612 1.00 0.00 N ATOM 0 H LYS A 93 3.920 12.038 5.053 1.00 0.00 H new ATOM 0 HA LYS A 93 2.034 12.900 4.071 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.054 14.109 2.115 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.433 14.703 2.417 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.970 15.483 4.590 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.313 14.371 4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.959 15.953 2.489 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.312 17.084 3.662 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.331 14.994 4.552 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.889 16.447 3.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.818 16.750 6.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.702 17.787 5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.162 16.380 6.180 1.00 0.00 H new ATOM 1341 N SER A 94 2.525 10.673 2.283 1.00 0.00 N ATOM 1342 CA SER A 94 2.104 9.803 1.147 1.00 0.00 C ATOM 1343 C SER A 94 1.751 8.407 1.659 1.00 0.00 C ATOM 1344 O SER A 94 2.042 8.053 2.785 1.00 0.00 O ATOM 1345 CB SER A 94 3.246 9.698 0.136 1.00 0.00 C ATOM 1346 OG SER A 94 4.484 9.899 0.804 1.00 0.00 O ATOM 0 H SER A 94 2.883 10.181 3.102 1.00 0.00 H new ATOM 0 HA SER A 94 1.228 10.241 0.669 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.233 8.720 -0.344 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.120 10.441 -0.651 1.00 0.00 H new ATOM 0 HG SER A 94 4.628 10.858 0.944 1.00 0.00 H new ATOM 1352 N ILE A 95 1.128 7.608 0.839 1.00 0.00 N ATOM 1353 CA ILE A 95 0.758 6.233 1.271 1.00 0.00 C ATOM 1354 C ILE A 95 1.399 5.220 0.322 1.00 0.00 C ATOM 1355 O ILE A 95 1.193 5.262 -0.875 1.00 0.00 O ATOM 1356 CB ILE A 95 -0.763 6.077 1.234 1.00 0.00 C ATOM 1357 CG1 ILE A 95 -1.409 7.181 2.073 1.00 0.00 C ATOM 1358 CG2 ILE A 95 -1.152 4.714 1.806 1.00 0.00 C ATOM 1359 CD1 ILE A 95 -2.922 6.968 2.112 1.00 0.00 C ATOM 0 H ILE A 95 0.859 7.849 -0.115 1.00 0.00 H new ATOM 0 HA ILE A 95 1.113 6.060 2.287 1.00 0.00 H new ATOM 0 HB ILE A 95 -1.109 6.151 0.203 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.003 7.170 3.084 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.179 8.158 1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.236 4.604 1.779 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.692 3.925 1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.805 4.640 2.837 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.385 7.754 2.709 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -3.320 7.001 1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.141 5.997 2.557 1.00 0.00 H new ATOM 1371 N LEU A 96 2.180 4.311 0.840 1.00 0.00 N ATOM 1372 CA LEU A 96 2.833 3.307 -0.047 1.00 0.00 C ATOM 1373 C LEU A 96 1.794 2.269 -0.470 1.00 0.00 C ATOM 1374 O LEU A 96 0.735 2.172 0.113 1.00 0.00 O ATOM 1375 CB LEU A 96 3.979 2.588 0.685 1.00 0.00 C ATOM 1376 CG LEU A 96 4.732 3.527 1.647 1.00 0.00 C ATOM 1377 CD1 LEU A 96 4.685 4.979 1.159 1.00 0.00 C ATOM 1378 CD2 LEU A 96 4.109 3.429 3.043 1.00 0.00 C ATOM 0 H LEU A 96 2.393 4.220 1.833 1.00 0.00 H new ATOM 0 HA LEU A 96 3.241 3.824 -0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.578 1.743 1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.678 2.183 -0.047 1.00 0.00 H new ATOM 0 HG LEU A 96 5.777 3.218 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.225 5.616 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.149 5.047 0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.648 5.308 1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.640 4.092 3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.060 3.722 2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.183 2.403 3.403 1.00 0.00 H new ATOM 1390 N VAL A 97 2.089 1.486 -1.471 1.00 0.00 N ATOM 1391 CA VAL A 97 1.116 0.448 -1.916 1.00 0.00 C ATOM 1392 C VAL A 97 1.876 -0.734 -2.523 1.00 0.00 C ATOM 1393 O VAL A 97 1.907 -0.914 -3.723 1.00 0.00 O ATOM 1394 CB VAL A 97 0.164 1.043 -2.955 1.00 0.00 C ATOM 1395 CG1 VAL A 97 -0.668 -0.076 -3.587 1.00 0.00 C ATOM 1396 CG2 VAL A 97 -0.773 2.045 -2.272 1.00 0.00 C ATOM 0 H VAL A 97 2.961 1.520 -2.000 1.00 0.00 H new ATOM 0 HA VAL A 97 0.536 0.103 -1.060 1.00 0.00 H new ATOM 0 HB VAL A 97 0.742 1.549 -3.728 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.346 0.349 -4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.005 -0.793 -4.071 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.246 -0.581 -2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.452 2.470 -3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.350 1.536 -1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.185 2.843 -1.819 1.00 0.00 H new ATOM 1406 N GLY A 98 2.490 -1.540 -1.700 1.00 0.00 N ATOM 1407 CA GLY A 98 3.250 -2.711 -2.226 1.00 0.00 C ATOM 1408 C GLY A 98 2.287 -3.676 -2.919 1.00 0.00 C ATOM 1409 O GLY A 98 1.626 -4.472 -2.282 1.00 0.00 O ATOM 0 H GLY A 98 2.498 -1.438 -0.685 1.00 0.00 H new ATOM 0 HA2 GLY A 98 4.014 -2.376 -2.928 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.766 -3.219 -1.411 1.00 0.00 H new ATOM 1413 N VAL A 99 2.203 -3.614 -4.219 1.00 0.00 N ATOM 1414 CA VAL A 99 1.283 -4.532 -4.949 1.00 0.00 C ATOM 1415 C VAL A 99 2.082 -5.731 -5.467 1.00 0.00 C ATOM 1416 O VAL A 99 3.098 -5.578 -6.117 1.00 0.00 O ATOM 1417 CB VAL A 99 0.628 -3.796 -6.129 1.00 0.00 C ATOM 1418 CG1 VAL A 99 -0.845 -4.202 -6.227 1.00 0.00 C ATOM 1419 CG2 VAL A 99 0.712 -2.279 -5.917 1.00 0.00 C ATOM 0 H VAL A 99 2.730 -2.969 -4.807 1.00 0.00 H new ATOM 0 HA VAL A 99 0.500 -4.874 -4.272 1.00 0.00 H new ATOM 0 HB VAL A 99 1.152 -4.063 -7.046 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.311 -3.681 -7.063 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.916 -5.278 -6.385 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.358 -3.936 -5.303 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.245 -1.768 -6.759 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.193 -2.011 -4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.757 -1.979 -5.845 1.00 0.00 H new ATOM 1429 N TYR A 100 1.639 -6.925 -5.175 1.00 0.00 N ATOM 1430 CA TYR A 100 2.382 -8.129 -5.643 1.00 0.00 C ATOM 1431 C TYR A 100 1.399 -9.264 -5.941 1.00 0.00 C ATOM 1432 O TYR A 100 0.221 -9.174 -5.646 1.00 0.00 O ATOM 1433 CB TYR A 100 3.361 -8.582 -4.557 1.00 0.00 C ATOM 1434 CG TYR A 100 2.785 -8.284 -3.192 1.00 0.00 C ATOM 1435 CD1 TYR A 100 1.903 -9.192 -2.592 1.00 0.00 C ATOM 1436 CD2 TYR A 100 3.134 -7.104 -2.526 1.00 0.00 C ATOM 1437 CE1 TYR A 100 1.373 -8.918 -1.325 1.00 0.00 C ATOM 1438 CE2 TYR A 100 2.602 -6.830 -1.260 1.00 0.00 C ATOM 1439 CZ TYR A 100 1.722 -7.738 -0.660 1.00 0.00 C ATOM 1440 OH TYR A 100 1.199 -7.468 0.588 1.00 0.00 O ATOM 0 H TYR A 100 0.796 -7.117 -4.634 1.00 0.00 H new ATOM 0 HA TYR A 100 2.931 -7.878 -6.551 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.557 -9.650 -4.654 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.316 -8.070 -4.679 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.632 -10.102 -3.106 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.814 -6.404 -2.989 1.00 0.00 H new ATOM 0 HE1 TYR A 100 0.694 -9.618 -0.861 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.871 -5.918 -0.747 1.00 0.00 H new ATOM 0 HH TYR A 100 1.026 -8.310 1.059 1.00 0.00 H new ATOM 1450 N ASN A 101 1.874 -10.330 -6.528 1.00 0.00 N ATOM 1451 CA ASN A 101 0.971 -11.470 -6.854 1.00 0.00 C ATOM 1452 C ASN A 101 1.352 -12.697 -6.018 1.00 0.00 C ATOM 1453 O ASN A 101 1.835 -12.582 -4.909 1.00 0.00 O ATOM 1454 CB ASN A 101 1.102 -11.808 -8.341 1.00 0.00 C ATOM 1455 CG ASN A 101 -0.248 -12.286 -8.879 1.00 0.00 C ATOM 1456 OD1 ASN A 101 -0.354 -13.376 -9.406 1.00 0.00 O ATOM 1457 ND2 ASN A 101 -1.292 -11.511 -8.769 1.00 0.00 N ATOM 0 H ASN A 101 2.850 -10.460 -6.796 1.00 0.00 H new ATOM 0 HA ASN A 101 -0.058 -11.189 -6.627 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.436 -10.931 -8.896 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.856 -12.582 -8.483 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -2.196 -11.820 -9.125 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -1.204 -10.596 -8.327 1.00 0.00 H new ATOM 1464 N GLU A 102 1.129 -13.870 -6.546 1.00 0.00 N ATOM 1465 CA GLU A 102 1.461 -15.114 -5.797 1.00 0.00 C ATOM 1466 C GLU A 102 2.976 -15.229 -5.607 1.00 0.00 C ATOM 1467 O GLU A 102 3.449 -15.599 -4.551 1.00 0.00 O ATOM 1468 CB GLU A 102 0.958 -16.316 -6.596 1.00 0.00 C ATOM 1469 CG GLU A 102 1.095 -17.581 -5.754 1.00 0.00 C ATOM 1470 CD GLU A 102 2.068 -18.546 -6.435 1.00 0.00 C ATOM 1471 OE1 GLU A 102 3.198 -18.148 -6.671 1.00 0.00 O ATOM 1472 OE2 GLU A 102 1.668 -19.664 -6.711 1.00 0.00 O ATOM 0 H GLU A 102 0.728 -14.020 -7.472 1.00 0.00 H new ATOM 0 HA GLU A 102 0.985 -15.085 -4.817 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.084 -16.167 -6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 102 1.529 -16.417 -7.519 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.455 -17.329 -4.756 1.00 0.00 H new ATOM 0 HG3 GLU A 102 0.122 -18.056 -5.631 1.00 0.00 H new ATOM 1479 N LYS A 103 3.739 -14.931 -6.622 1.00 0.00 N ATOM 1480 CA LYS A 103 5.222 -15.038 -6.497 1.00 0.00 C ATOM 1481 C LYS A 103 5.686 -14.359 -5.209 1.00 0.00 C ATOM 1482 O LYS A 103 6.727 -14.678 -4.668 1.00 0.00 O ATOM 1483 CB LYS A 103 5.885 -14.358 -7.694 1.00 0.00 C ATOM 1484 CG LYS A 103 5.902 -15.318 -8.882 1.00 0.00 C ATOM 1485 CD LYS A 103 5.169 -14.680 -10.062 1.00 0.00 C ATOM 1486 CE LYS A 103 4.057 -15.616 -10.538 1.00 0.00 C ATOM 1487 NZ LYS A 103 4.142 -15.772 -12.017 1.00 0.00 N ATOM 0 H LYS A 103 3.401 -14.618 -7.532 1.00 0.00 H new ATOM 0 HA LYS A 103 5.503 -16.091 -6.470 1.00 0.00 H new ATOM 0 HB2 LYS A 103 5.343 -13.449 -7.955 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.902 -14.060 -7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 103 6.930 -15.550 -9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 103 5.425 -16.259 -8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 103 4.748 -13.719 -9.766 1.00 0.00 H new ATOM 0 HD3 LYS A 103 5.868 -14.485 -10.875 1.00 0.00 H new ATOM 0 HE2 LYS A 103 4.151 -16.587 -10.053 1.00 0.00 H new ATOM 0 HE3 LYS A 103 3.083 -15.214 -10.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.387 -16.408 -12.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 4.032 -14.843 -12.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 5.067 -16.174 -12.271 1.00 0.00 H new ATOM 1501 N ILE A 104 4.931 -13.420 -4.713 1.00 0.00 N ATOM 1502 CA ILE A 104 5.342 -12.722 -3.467 1.00 0.00 C ATOM 1503 C ILE A 104 4.520 -13.245 -2.288 1.00 0.00 C ATOM 1504 O ILE A 104 3.356 -12.928 -2.141 1.00 0.00 O ATOM 1505 CB ILE A 104 5.103 -11.223 -3.630 1.00 0.00 C ATOM 1506 CG1 ILE A 104 5.521 -10.793 -5.038 1.00 0.00 C ATOM 1507 CG2 ILE A 104 5.928 -10.456 -2.596 1.00 0.00 C ATOM 1508 CD1 ILE A 104 6.995 -11.135 -5.259 1.00 0.00 C ATOM 0 H ILE A 104 4.048 -13.107 -5.117 1.00 0.00 H new ATOM 0 HA ILE A 104 6.399 -12.907 -3.277 1.00 0.00 H new ATOM 0 HB ILE A 104 4.045 -11.006 -3.480 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.904 -11.297 -5.782 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.362 -9.722 -5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.756 -9.386 -2.714 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.631 -10.763 -1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.986 -10.672 -2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 104 7.293 -10.829 -6.262 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.605 -10.610 -4.523 1.00 0.00 H new ATOM 0 HD13 ILE A 104 7.139 -12.210 -5.150 1.00 0.00 H new ATOM 1520 N GLN A 105 5.116 -14.041 -1.445 1.00 0.00 N ATOM 1521 CA GLN A 105 4.368 -14.579 -0.275 1.00 0.00 C ATOM 1522 C GLN A 105 4.349 -13.523 0.839 1.00 0.00 C ATOM 1523 O GLN A 105 5.318 -12.818 1.036 1.00 0.00 O ATOM 1524 CB GLN A 105 5.059 -15.847 0.231 1.00 0.00 C ATOM 1525 CG GLN A 105 4.118 -17.042 0.063 1.00 0.00 C ATOM 1526 CD GLN A 105 4.927 -18.278 -0.334 1.00 0.00 C ATOM 1527 OE1 GLN A 105 5.738 -18.222 -1.237 1.00 0.00 O ATOM 1528 NE2 GLN A 105 4.742 -19.399 0.309 1.00 0.00 N ATOM 0 H GLN A 105 6.088 -14.342 -1.515 1.00 0.00 H new ATOM 0 HA GLN A 105 3.346 -14.818 -0.569 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.982 -16.017 -0.323 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.333 -15.731 1.280 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.581 -17.229 0.993 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.369 -16.824 -0.699 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.061 -19.446 1.067 1.00 0.00 H new ATOM 0 HE22 GLN A 105 5.278 -20.228 0.053 1.00 0.00 H new ATOM 1537 N PRO A 106 3.240 -13.443 1.533 1.00 0.00 N ATOM 1538 CA PRO A 106 3.071 -12.474 2.633 1.00 0.00 C ATOM 1539 C PRO A 106 4.107 -12.725 3.733 1.00 0.00 C ATOM 1540 O PRO A 106 4.532 -13.840 3.958 1.00 0.00 O ATOM 1541 CB PRO A 106 1.650 -12.724 3.161 1.00 0.00 C ATOM 1542 CG PRO A 106 1.018 -13.848 2.301 1.00 0.00 C ATOM 1543 CD PRO A 106 2.073 -14.306 1.282 1.00 0.00 C ATOM 0 HA PRO A 106 3.211 -11.445 2.302 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.678 -13.016 4.211 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.053 -11.814 3.099 1.00 0.00 H new ATOM 0 HG2 PRO A 106 0.707 -14.682 2.930 1.00 0.00 H new ATOM 0 HG3 PRO A 106 0.126 -13.484 1.791 1.00 0.00 H new ATOM 0 HD2 PRO A 106 2.323 -15.358 1.418 1.00 0.00 H new ATOM 0 HD3 PRO A 106 1.711 -14.194 0.260 1.00 0.00 H new ATOM 1551 N GLY A 107 4.514 -11.693 4.423 1.00 0.00 N ATOM 1552 CA GLY A 107 5.518 -11.868 5.510 1.00 0.00 C ATOM 1553 C GLY A 107 6.896 -11.428 5.013 1.00 0.00 C ATOM 1554 O GLY A 107 7.689 -10.880 5.756 1.00 0.00 O ATOM 0 H GLY A 107 4.193 -10.735 4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.230 -11.281 6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 107 5.550 -12.911 5.825 1.00 0.00 H new ATOM 1558 N THR A 108 7.192 -11.664 3.764 1.00 0.00 N ATOM 1559 CA THR A 108 8.520 -11.259 3.222 1.00 0.00 C ATOM 1560 C THR A 108 8.480 -9.785 2.813 1.00 0.00 C ATOM 1561 O THR A 108 9.479 -9.093 2.850 1.00 0.00 O ATOM 1562 CB THR A 108 8.852 -12.115 1.998 1.00 0.00 C ATOM 1563 OG1 THR A 108 9.056 -13.460 2.405 1.00 0.00 O ATOM 1564 CG2 THR A 108 10.121 -11.582 1.332 1.00 0.00 C ATOM 0 H THR A 108 6.571 -12.120 3.095 1.00 0.00 H new ATOM 0 HA THR A 108 9.282 -11.403 3.988 1.00 0.00 H new ATOM 0 HB THR A 108 8.026 -12.072 1.288 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.267 -14.010 1.622 1.00 0.00 H new ATOM 0 HG21 THR A 108 10.358 -12.192 0.460 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.962 -10.550 1.021 1.00 0.00 H new ATOM 0 HG23 THR A 108 10.949 -11.624 2.040 1.00 0.00 H new ATOM 1572 N ALA A 109 7.336 -9.301 2.420 1.00 0.00 N ATOM 1573 CA ALA A 109 7.232 -7.874 2.004 1.00 0.00 C ATOM 1574 C ALA A 109 6.893 -7.004 3.216 1.00 0.00 C ATOM 1575 O ALA A 109 7.001 -5.795 3.173 1.00 0.00 O ATOM 1576 CB ALA A 109 6.131 -7.731 0.953 1.00 0.00 C ATOM 0 H ALA A 109 6.467 -9.832 2.369 1.00 0.00 H new ATOM 0 HA ALA A 109 8.185 -7.551 1.584 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.053 -6.688 0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.373 -8.346 0.086 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.180 -8.057 1.375 1.00 0.00 H new ATOM 1582 N ALA A 110 6.480 -7.607 4.298 1.00 0.00 N ATOM 1583 CA ALA A 110 6.131 -6.811 5.508 1.00 0.00 C ATOM 1584 C ALA A 110 7.372 -6.642 6.385 1.00 0.00 C ATOM 1585 O ALA A 110 7.444 -5.752 7.209 1.00 0.00 O ATOM 1586 CB ALA A 110 5.046 -7.542 6.301 1.00 0.00 C ATOM 0 H ALA A 110 6.369 -8.616 4.396 1.00 0.00 H new ATOM 0 HA ALA A 110 5.765 -5.830 5.204 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.789 -6.961 7.187 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.160 -7.664 5.678 1.00 0.00 H new ATOM 0 HB3 ALA A 110 5.415 -8.522 6.604 1.00 0.00 H new ATOM 1592 N ASN A 111 8.349 -7.489 6.218 1.00 0.00 N ATOM 1593 CA ASN A 111 9.582 -7.375 7.046 1.00 0.00 C ATOM 1594 C ASN A 111 10.495 -6.294 6.465 1.00 0.00 C ATOM 1595 O ASN A 111 11.209 -5.619 7.180 1.00 0.00 O ATOM 1596 CB ASN A 111 10.320 -8.716 7.046 1.00 0.00 C ATOM 1597 CG ASN A 111 9.917 -9.523 8.281 1.00 0.00 C ATOM 1598 OD1 ASN A 111 10.083 -9.070 9.397 1.00 0.00 O ATOM 1599 ND2 ASN A 111 9.392 -10.708 8.130 1.00 0.00 N ATOM 0 H ASN A 111 8.347 -8.255 5.544 1.00 0.00 H new ATOM 0 HA ASN A 111 9.308 -7.107 8.066 1.00 0.00 H new ATOM 0 HB2 ASN A 111 10.081 -9.274 6.141 1.00 0.00 H new ATOM 0 HB3 ASN A 111 11.397 -8.550 7.043 1.00 0.00 H new ATOM 0 HD21 ASN A 111 9.121 -11.254 8.948 1.00 0.00 H new ATOM 0 HD22 ASN A 111 9.252 -11.088 7.194 1.00 0.00 H new ATOM 1606 N VAL A 112 10.486 -6.130 5.171 1.00 0.00 N ATOM 1607 CA VAL A 112 11.360 -5.099 4.544 1.00 0.00 C ATOM 1608 C VAL A 112 10.618 -3.764 4.451 1.00 0.00 C ATOM 1609 O VAL A 112 11.202 -2.709 4.602 1.00 0.00 O ATOM 1610 CB VAL A 112 11.753 -5.559 3.151 1.00 0.00 C ATOM 1611 CG1 VAL A 112 12.551 -4.459 2.452 1.00 0.00 C ATOM 1612 CG2 VAL A 112 12.604 -6.827 3.253 1.00 0.00 C ATOM 0 H VAL A 112 9.911 -6.665 4.521 1.00 0.00 H new ATOM 0 HA VAL A 112 12.252 -4.965 5.156 1.00 0.00 H new ATOM 0 HB VAL A 112 10.854 -5.772 2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 112 12.832 -4.792 1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 112 11.941 -3.559 2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 112 13.451 -4.240 3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 112 12.886 -7.157 2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 112 13.503 -6.616 3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 112 12.030 -7.612 3.746 1.00 0.00 H new ATOM 1622 N VAL A 113 9.337 -3.797 4.200 1.00 0.00 N ATOM 1623 CA VAL A 113 8.565 -2.525 4.092 1.00 0.00 C ATOM 1624 C VAL A 113 8.356 -1.927 5.484 1.00 0.00 C ATOM 1625 O VAL A 113 8.034 -0.764 5.627 1.00 0.00 O ATOM 1626 CB VAL A 113 7.202 -2.809 3.454 1.00 0.00 C ATOM 1627 CG1 VAL A 113 6.434 -1.496 3.285 1.00 0.00 C ATOM 1628 CG2 VAL A 113 7.402 -3.460 2.083 1.00 0.00 C ATOM 0 H VAL A 113 8.792 -4.649 4.065 1.00 0.00 H new ATOM 0 HA VAL A 113 9.120 -1.819 3.475 1.00 0.00 H new ATOM 0 HB VAL A 113 6.636 -3.483 4.097 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.464 -1.698 2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.289 -1.031 4.260 1.00 0.00 H new ATOM 0 HG13 VAL A 113 7.002 -0.822 2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 113 6.431 -3.661 1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 113 7.969 -2.787 1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.948 -4.396 2.201 1.00 0.00 H new ATOM 1638 N GLU A 114 8.526 -2.711 6.512 1.00 0.00 N ATOM 1639 CA GLU A 114 8.326 -2.182 7.891 1.00 0.00 C ATOM 1640 C GLU A 114 9.624 -1.553 8.403 1.00 0.00 C ATOM 1641 O GLU A 114 9.616 -0.504 9.014 1.00 0.00 O ATOM 1642 CB GLU A 114 7.912 -3.325 8.818 1.00 0.00 C ATOM 1643 CG GLU A 114 6.389 -3.459 8.810 1.00 0.00 C ATOM 1644 CD GLU A 114 5.968 -4.555 9.792 1.00 0.00 C ATOM 1645 OE1 GLU A 114 6.565 -5.618 9.755 1.00 0.00 O ATOM 1646 OE2 GLU A 114 5.055 -4.311 10.564 1.00 0.00 O ATOM 0 H GLU A 114 8.794 -3.694 6.458 1.00 0.00 H new ATOM 0 HA GLU A 114 7.545 -1.422 7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 114 8.372 -4.258 8.491 1.00 0.00 H new ATOM 0 HB3 GLU A 114 8.266 -3.133 9.831 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.928 -2.511 9.087 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.040 -3.701 7.806 1.00 0.00 H new ATOM 1653 N LYS A 115 10.739 -2.186 8.165 1.00 0.00 N ATOM 1654 CA LYS A 115 12.031 -1.621 8.648 1.00 0.00 C ATOM 1655 C LYS A 115 12.426 -0.424 7.784 1.00 0.00 C ATOM 1656 O LYS A 115 12.912 0.575 8.276 1.00 0.00 O ATOM 1657 CB LYS A 115 13.121 -2.692 8.558 1.00 0.00 C ATOM 1658 CG LYS A 115 13.459 -3.197 9.962 1.00 0.00 C ATOM 1659 CD LYS A 115 12.322 -4.085 10.471 1.00 0.00 C ATOM 1660 CE LYS A 115 11.356 -3.242 11.305 1.00 0.00 C ATOM 1661 NZ LYS A 115 12.118 -2.491 12.342 1.00 0.00 N ATOM 0 H LYS A 115 10.812 -3.068 7.658 1.00 0.00 H new ATOM 0 HA LYS A 115 11.918 -1.299 9.683 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.782 -3.519 7.935 1.00 0.00 H new ATOM 0 HB3 LYS A 115 14.012 -2.280 8.084 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.393 -3.759 9.943 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.607 -2.354 10.637 1.00 0.00 H new ATOM 0 HD2 LYS A 115 11.795 -4.538 9.631 1.00 0.00 H new ATOM 0 HD3 LYS A 115 12.724 -4.900 11.073 1.00 0.00 H new ATOM 0 HE2 LYS A 115 10.815 -2.548 10.662 1.00 0.00 H new ATOM 0 HE3 LYS A 115 10.613 -3.883 11.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 11.561 -2.448 13.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.020 -2.974 12.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 12.306 -1.526 12.004 1.00 0.00 H new ATOM 1675 N LEU A 116 12.227 -0.516 6.499 1.00 0.00 N ATOM 1676 CA LEU A 116 12.596 0.616 5.608 1.00 0.00 C ATOM 1677 C LEU A 116 11.808 1.864 6.012 1.00 0.00 C ATOM 1678 O LEU A 116 12.355 2.940 6.142 1.00 0.00 O ATOM 1679 CB LEU A 116 12.265 0.256 4.160 1.00 0.00 C ATOM 1680 CG LEU A 116 13.509 0.446 3.288 1.00 0.00 C ATOM 1681 CD1 LEU A 116 13.515 -0.592 2.164 1.00 0.00 C ATOM 1682 CD2 LEU A 116 13.497 1.851 2.681 1.00 0.00 C ATOM 0 H LEU A 116 11.825 -1.327 6.028 1.00 0.00 H new ATOM 0 HA LEU A 116 13.664 0.814 5.700 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.921 -0.777 4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 116 11.453 0.884 3.795 1.00 0.00 H new ATOM 0 HG LEU A 116 14.401 0.320 3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.402 -0.454 1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 116 13.525 -1.594 2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 116 12.622 -0.469 1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 116 14.383 1.987 2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 116 12.603 1.976 2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 116 13.497 2.593 3.480 1.00 0.00 H new ATOM 1694 N ALA A 117 10.526 1.730 6.207 1.00 0.00 N ATOM 1695 CA ALA A 117 9.709 2.913 6.596 1.00 0.00 C ATOM 1696 C ALA A 117 10.163 3.424 7.965 1.00 0.00 C ATOM 1697 O ALA A 117 10.004 4.583 8.283 1.00 0.00 O ATOM 1698 CB ALA A 117 8.232 2.518 6.661 1.00 0.00 C ATOM 0 H ALA A 117 10.010 0.855 6.114 1.00 0.00 H new ATOM 0 HA ALA A 117 9.841 3.701 5.855 1.00 0.00 H new ATOM 0 HB1 ALA A 117 7.636 3.385 6.946 1.00 0.00 H new ATOM 0 HB2 ALA A 117 7.908 2.160 5.684 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.099 1.728 7.400 1.00 0.00 H new ATOM 1704 N ASP A 118 10.726 2.571 8.781 1.00 0.00 N ATOM 1705 CA ASP A 118 11.184 3.021 10.127 1.00 0.00 C ATOM 1706 C ASP A 118 12.388 3.958 9.977 1.00 0.00 C ATOM 1707 O ASP A 118 12.650 4.786 10.828 1.00 0.00 O ATOM 1708 CB ASP A 118 11.592 1.804 10.962 1.00 0.00 C ATOM 1709 CG ASP A 118 12.321 2.268 12.224 1.00 0.00 C ATOM 1710 OD1 ASP A 118 12.018 3.353 12.695 1.00 0.00 O ATOM 1711 OD2 ASP A 118 13.171 1.533 12.699 1.00 0.00 O ATOM 0 H ASP A 118 10.888 1.585 8.574 1.00 0.00 H new ATOM 0 HA ASP A 118 10.371 3.551 10.624 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.710 1.224 11.232 1.00 0.00 H new ATOM 0 HB3 ASP A 118 12.238 1.149 10.377 1.00 0.00 H new ATOM 1716 N TYR A 119 13.125 3.830 8.909 1.00 0.00 N ATOM 1717 CA TYR A 119 14.315 4.710 8.712 1.00 0.00 C ATOM 1718 C TYR A 119 13.869 6.104 8.260 1.00 0.00 C ATOM 1719 O TYR A 119 14.412 7.105 8.682 1.00 0.00 O ATOM 1720 CB TYR A 119 15.224 4.093 7.647 1.00 0.00 C ATOM 1721 CG TYR A 119 16.319 5.068 7.285 1.00 0.00 C ATOM 1722 CD1 TYR A 119 16.090 6.051 6.315 1.00 0.00 C ATOM 1723 CD2 TYR A 119 17.566 4.988 7.918 1.00 0.00 C ATOM 1724 CE1 TYR A 119 17.107 6.953 5.978 1.00 0.00 C ATOM 1725 CE2 TYR A 119 18.583 5.889 7.580 1.00 0.00 C ATOM 1726 CZ TYR A 119 18.353 6.872 6.609 1.00 0.00 C ATOM 1727 OH TYR A 119 19.353 7.761 6.275 1.00 0.00 O ATOM 0 H TYR A 119 12.956 3.155 8.163 1.00 0.00 H new ATOM 0 HA TYR A 119 14.857 4.801 9.654 1.00 0.00 H new ATOM 0 HB2 TYR A 119 15.658 3.165 8.019 1.00 0.00 H new ATOM 0 HB3 TYR A 119 14.642 3.840 6.761 1.00 0.00 H new ATOM 0 HD1 TYR A 119 15.129 6.114 5.826 1.00 0.00 H new ATOM 0 HD2 TYR A 119 17.743 4.231 8.667 1.00 0.00 H new ATOM 0 HE1 TYR A 119 16.929 7.712 5.230 1.00 0.00 H new ATOM 0 HE2 TYR A 119 19.545 5.826 8.068 1.00 0.00 H new ATOM 0 HH TYR A 119 20.153 7.568 6.806 1.00 0.00 H new ATOM 1737 N LEU A 120 12.893 6.178 7.395 1.00 0.00 N ATOM 1738 CA LEU A 120 12.425 7.502 6.910 1.00 0.00 C ATOM 1739 C LEU A 120 11.435 8.111 7.914 1.00 0.00 C ATOM 1740 O LEU A 120 11.211 9.305 7.931 1.00 0.00 O ATOM 1741 CB LEU A 120 11.761 7.305 5.536 1.00 0.00 C ATOM 1742 CG LEU A 120 10.234 7.212 5.667 1.00 0.00 C ATOM 1743 CD1 LEU A 120 9.627 8.611 5.544 1.00 0.00 C ATOM 1744 CD2 LEU A 120 9.680 6.314 4.558 1.00 0.00 C ATOM 0 H LEU A 120 12.401 5.375 7.004 1.00 0.00 H new ATOM 0 HA LEU A 120 13.265 8.190 6.814 1.00 0.00 H new ATOM 0 HB2 LEU A 120 12.023 8.135 4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 120 12.145 6.397 5.070 1.00 0.00 H new ATOM 0 HG LEU A 120 9.977 6.788 6.638 1.00 0.00 H new ATOM 0 HD11 LEU A 120 8.543 8.547 5.637 1.00 0.00 H new ATOM 0 HD12 LEU A 120 10.022 9.250 6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 120 9.884 9.035 4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 120 8.596 6.248 4.651 1.00 0.00 H new ATOM 0 HD22 LEU A 120 9.936 6.736 3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 120 10.113 5.318 4.646 1.00 0.00 H new ATOM 1756 N ILE A 121 10.839 7.299 8.743 1.00 0.00 N ATOM 1757 CA ILE A 121 9.862 7.832 9.735 1.00 0.00 C ATOM 1758 C ILE A 121 10.620 8.482 10.893 1.00 0.00 C ATOM 1759 O ILE A 121 10.097 9.327 11.591 1.00 0.00 O ATOM 1760 CB ILE A 121 8.982 6.689 10.255 1.00 0.00 C ATOM 1761 CG1 ILE A 121 7.934 6.335 9.197 1.00 0.00 C ATOM 1762 CG2 ILE A 121 8.271 7.122 11.541 1.00 0.00 C ATOM 1763 CD1 ILE A 121 7.638 4.834 9.250 1.00 0.00 C ATOM 0 H ILE A 121 10.986 6.290 8.777 1.00 0.00 H new ATOM 0 HA ILE A 121 9.226 8.579 9.260 1.00 0.00 H new ATOM 0 HB ILE A 121 9.608 5.821 10.463 1.00 0.00 H new ATOM 0 HG12 ILE A 121 7.020 6.903 9.372 1.00 0.00 H new ATOM 0 HG13 ILE A 121 8.295 6.610 8.206 1.00 0.00 H new ATOM 0 HG21 ILE A 121 7.648 6.305 11.905 1.00 0.00 H new ATOM 0 HG22 ILE A 121 9.012 7.378 12.298 1.00 0.00 H new ATOM 0 HG23 ILE A 121 7.647 7.992 11.336 1.00 0.00 H new ATOM 0 HD11 ILE A 121 6.892 4.583 8.496 1.00 0.00 H new ATOM 0 HD12 ILE A 121 8.553 4.276 9.054 1.00 0.00 H new ATOM 0 HD13 ILE A 121 7.258 4.573 10.238 1.00 0.00 H new ATOM 1775 N GLY A 122 11.852 8.107 11.100 1.00 0.00 N ATOM 1776 CA GLY A 122 12.633 8.722 12.209 1.00 0.00 C ATOM 1777 C GLY A 122 12.480 10.241 12.143 1.00 0.00 C ATOM 1778 O GLY A 122 12.629 10.936 13.128 1.00 0.00 O ATOM 0 H GLY A 122 12.349 7.405 10.552 1.00 0.00 H new ATOM 0 HA2 GLY A 122 12.279 8.349 13.170 1.00 0.00 H new ATOM 0 HA3 GLY A 122 13.684 8.446 12.127 1.00 0.00 H new ATOM 1782 N GLN A 123 12.183 10.761 10.981 1.00 0.00 N ATOM 1783 CA GLN A 123 12.019 12.234 10.839 1.00 0.00 C ATOM 1784 C GLN A 123 10.586 12.631 11.206 1.00 0.00 C ATOM 1785 O GLN A 123 10.348 13.277 12.206 1.00 0.00 O ATOM 1786 CB GLN A 123 12.301 12.637 9.390 1.00 0.00 C ATOM 1787 CG GLN A 123 13.761 13.070 9.253 1.00 0.00 C ATOM 1788 CD GLN A 123 13.820 14.534 8.815 1.00 0.00 C ATOM 1789 OE1 GLN A 123 12.929 15.017 8.145 1.00 0.00 O ATOM 1790 NE2 GLN A 123 14.842 15.265 9.166 1.00 0.00 N ATOM 0 H GLN A 123 12.047 10.226 10.123 1.00 0.00 H new ATOM 0 HA GLN A 123 12.717 12.742 11.505 1.00 0.00 H new ATOM 0 HB2 GLN A 123 12.095 11.800 8.723 1.00 0.00 H new ATOM 0 HB3 GLN A 123 11.640 13.451 9.093 1.00 0.00 H new ATOM 0 HG2 GLN A 123 14.280 12.942 10.203 1.00 0.00 H new ATOM 0 HG3 GLN A 123 14.271 12.440 8.524 1.00 0.00 H new ATOM 0 HE21 GLN A 123 15.590 14.859 9.729 1.00 0.00 H new ATOM 0 HE22 GLN A 123 14.893 16.242 8.878 1.00 0.00 H new ATOM 1799 N GLY A 124 9.631 12.254 10.398 1.00 0.00 N ATOM 1800 CA GLY A 124 8.218 12.615 10.697 1.00 0.00 C ATOM 1801 C GLY A 124 7.396 12.555 9.409 1.00 0.00 C ATOM 1802 O GLY A 124 7.571 13.361 8.516 1.00 0.00 O ATOM 0 H GLY A 124 9.770 11.712 9.545 1.00 0.00 H new ATOM 0 HA2 GLY A 124 7.805 11.930 11.438 1.00 0.00 H new ATOM 0 HA3 GLY A 124 8.170 13.616 11.126 1.00 0.00 H new ATOM 1806 N PHE A 125 6.514 11.594 9.306 1.00 0.00 N ATOM 1807 CA PHE A 125 5.674 11.457 8.070 1.00 0.00 C ATOM 1808 C PHE A 125 5.306 12.845 7.540 1.00 0.00 C ATOM 1809 O PHE A 125 4.895 13.672 8.338 1.00 0.00 O ATOM 1810 CB PHE A 125 4.371 10.684 8.361 1.00 0.00 C ATOM 1811 CG PHE A 125 4.285 10.295 9.819 1.00 0.00 C ATOM 1812 CD1 PHE A 125 3.967 11.258 10.785 1.00 0.00 C ATOM 1813 CD2 PHE A 125 4.526 8.971 10.203 1.00 0.00 C ATOM 1814 CE1 PHE A 125 3.890 10.897 12.134 1.00 0.00 C ATOM 1815 CE2 PHE A 125 4.449 8.610 11.553 1.00 0.00 C ATOM 1816 CZ PHE A 125 4.130 9.572 12.519 1.00 0.00 C ATOM 1817 OXT PHE A 125 5.444 13.057 6.347 1.00 0.00 O ATOM 0 H PHE A 125 6.336 10.894 10.026 1.00 0.00 H new ATOM 0 HA PHE A 125 6.256 10.906 7.332 1.00 0.00 H new ATOM 0 HB2 PHE A 125 3.512 11.299 8.094 1.00 0.00 H new ATOM 0 HB3 PHE A 125 4.328 9.790 7.739 1.00 0.00 H new ATOM 0 HD1 PHE A 125 3.781 12.280 10.488 1.00 0.00 H new ATOM 0 HD2 PHE A 125 4.771 8.228 9.458 1.00 0.00 H new ATOM 0 HE1 PHE A 125 3.645 11.640 12.879 1.00 0.00 H new ATOM 0 HE2 PHE A 125 4.636 7.589 11.850 1.00 0.00 H new ATOM 0 HZ PHE A 125 4.069 9.292 13.560 1.00 0.00 H new