USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 596 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 70 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 73 HIS : no HD1:sc= -0.0517 X(o=-0.052,f=-0.15) USER MOD Set 2.1: A 36 ASN : amide:sc= -0.143 X(o=-0.14,f=0.02) USER MOD Set 2.2: A 40 LYS NZ :NH3+ 178:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.067 K(o=-0.067,f=-1.4!) USER MOD Single : A 25 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -0.443 X(o=-0.44,f=-0.014) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -28:sc= 0.799 USER MOD Single : A 50 ASN :FLIP amide:sc= -0.516 F(o=-2.1,f=-0.52) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.0833 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 36:sc= 0.558 USER MOD Single : A 61 LYS NZ :NH3+ 177:sc= -0.247 (180deg=-0.265) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 131:sc= -0.802 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 1.1 K(o=1.1,f=-0.059) USER MOD Single : A 84 TYR OH : rot -8:sc= 0.726 USER MOD Single : A 85 LYS NZ :NH3+ -174:sc= -0.0229 (180deg=-0.0687) USER MOD Single : A 95 ASN : amide:sc= 0.105 X(o=0.1,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 15 17.308 -13.836 -15.601 1.00 0.00 N ATOM 2 CA ASP A 15 17.339 -13.543 -14.158 1.00 0.00 C ATOM 3 C ASP A 15 17.520 -14.763 -13.220 1.00 0.00 C ATOM 4 O ASP A 15 17.125 -14.741 -12.058 1.00 0.00 O ATOM 5 CB ASP A 15 16.131 -12.662 -13.805 1.00 0.00 C ATOM 6 CG ASP A 15 16.135 -11.354 -14.611 1.00 0.00 C ATOM 7 OD1 ASP A 15 15.600 -11.333 -15.746 1.00 0.00 O ATOM 8 OD2 ASP A 15 16.698 -10.373 -14.067 1.00 0.00 O ATOM 0 HA ASP A 15 18.260 -12.993 -13.965 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.210 -13.210 -14.002 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.144 -12.434 -12.739 1.00 0.00 H new ATOM 13 N SER A 16 18.149 -15.822 -13.727 1.00 0.00 N ATOM 14 CA SER A 16 18.343 -17.123 -13.069 1.00 0.00 C ATOM 15 C SER A 16 19.814 -17.515 -12.923 1.00 0.00 C ATOM 16 O SER A 16 20.118 -18.591 -12.416 1.00 0.00 O ATOM 17 CB SER A 16 17.591 -18.208 -13.859 1.00 0.00 C ATOM 18 OG SER A 16 16.237 -18.234 -13.464 1.00 0.00 O ATOM 0 H SER A 16 18.562 -15.799 -14.660 1.00 0.00 H new ATOM 0 HA SER A 16 17.945 -17.033 -12.058 1.00 0.00 H new ATOM 0 HB2 SER A 16 17.664 -18.009 -14.928 1.00 0.00 H new ATOM 0 HB3 SER A 16 18.049 -19.181 -13.684 1.00 0.00 H new ATOM 0 HG SER A 16 15.762 -18.925 -13.971 1.00 0.00 H new ATOM 24 N VAL A 17 20.747 -16.661 -13.359 1.00 0.00 N ATOM 25 CA VAL A 17 22.173 -16.989 -13.497 1.00 0.00 C ATOM 26 C VAL A 17 23.066 -15.790 -13.167 1.00 0.00 C ATOM 27 O VAL A 17 22.579 -14.664 -13.106 1.00 0.00 O ATOM 28 CB VAL A 17 22.443 -17.441 -14.940 1.00 0.00 C ATOM 29 CG1 VAL A 17 21.700 -18.722 -15.309 1.00 0.00 C ATOM 30 CG2 VAL A 17 22.034 -16.380 -15.961 1.00 0.00 C ATOM 0 H VAL A 17 20.529 -15.703 -13.632 1.00 0.00 H new ATOM 0 HA VAL A 17 22.409 -17.786 -12.792 1.00 0.00 H new ATOM 0 HB VAL A 17 23.519 -17.614 -14.974 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.930 -18.992 -16.340 1.00 0.00 H new ATOM 0 HG12 VAL A 17 22.012 -19.528 -14.645 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.627 -18.562 -15.206 1.00 0.00 H new ATOM 0 HG21 VAL A 17 22.243 -16.743 -16.967 1.00 0.00 H new ATOM 0 HG22 VAL A 17 20.968 -16.174 -15.864 1.00 0.00 H new ATOM 0 HG23 VAL A 17 22.599 -15.465 -15.781 1.00 0.00 H new ATOM 40 N ILE A 18 24.377 -16.015 -13.008 1.00 0.00 N ATOM 41 CA ILE A 18 25.345 -14.939 -12.727 1.00 0.00 C ATOM 42 C ILE A 18 26.558 -15.018 -13.660 1.00 0.00 C ATOM 43 O ILE A 18 26.908 -16.085 -14.170 1.00 0.00 O ATOM 44 CB ILE A 18 25.778 -14.938 -11.236 1.00 0.00 C ATOM 45 CG1 ILE A 18 26.636 -16.166 -10.845 1.00 0.00 C ATOM 46 CG2 ILE A 18 24.532 -14.859 -10.338 1.00 0.00 C ATOM 47 CD1 ILE A 18 27.421 -15.997 -9.535 1.00 0.00 C ATOM 0 H ILE A 18 24.798 -16.942 -13.070 1.00 0.00 H new ATOM 0 HA ILE A 18 24.843 -13.992 -12.922 1.00 0.00 H new ATOM 0 HB ILE A 18 26.409 -14.062 -11.090 1.00 0.00 H new ATOM 0 HG12 ILE A 18 25.985 -17.036 -10.755 1.00 0.00 H new ATOM 0 HG13 ILE A 18 27.339 -16.375 -11.652 1.00 0.00 H new ATOM 0 HG21 ILE A 18 24.837 -14.858 -9.292 1.00 0.00 H new ATOM 0 HG22 ILE A 18 23.983 -13.943 -10.557 1.00 0.00 H new ATOM 0 HG23 ILE A 18 23.891 -15.720 -10.529 1.00 0.00 H new ATOM 0 HD11 ILE A 18 27.995 -16.902 -9.335 1.00 0.00 H new ATOM 0 HD12 ILE A 18 28.100 -15.149 -9.625 1.00 0.00 H new ATOM 0 HD13 ILE A 18 26.726 -15.820 -8.714 1.00 0.00 H new ATOM 59 N VAL A 19 27.214 -13.868 -13.838 1.00 0.00 N ATOM 60 CA VAL A 19 28.448 -13.711 -14.600 1.00 0.00 C ATOM 61 C VAL A 19 29.423 -12.821 -13.835 1.00 0.00 C ATOM 62 O VAL A 19 29.029 -11.958 -13.054 1.00 0.00 O ATOM 63 CB VAL A 19 28.135 -13.118 -15.990 1.00 0.00 C ATOM 64 CG1 VAL A 19 29.408 -12.896 -16.818 1.00 0.00 C ATOM 65 CG2 VAL A 19 27.286 -14.089 -16.807 1.00 0.00 C ATOM 0 H VAL A 19 26.884 -12.989 -13.438 1.00 0.00 H new ATOM 0 HA VAL A 19 28.913 -14.687 -14.740 1.00 0.00 H new ATOM 0 HB VAL A 19 27.622 -12.175 -15.803 1.00 0.00 H new ATOM 0 HG11 VAL A 19 29.142 -12.478 -17.789 1.00 0.00 H new ATOM 0 HG12 VAL A 19 30.067 -12.205 -16.293 1.00 0.00 H new ATOM 0 HG13 VAL A 19 29.920 -13.848 -16.961 1.00 0.00 H new ATOM 0 HG21 VAL A 19 27.075 -13.654 -17.784 1.00 0.00 H new ATOM 0 HG22 VAL A 19 27.828 -15.026 -16.936 1.00 0.00 H new ATOM 0 HG23 VAL A 19 26.349 -14.281 -16.285 1.00 0.00 H new ATOM 75 N VAL A 20 30.716 -13.025 -14.084 1.00 0.00 N ATOM 76 CA VAL A 20 31.795 -12.237 -13.501 1.00 0.00 C ATOM 77 C VAL A 20 32.726 -11.795 -14.624 1.00 0.00 C ATOM 78 O VAL A 20 32.914 -12.514 -15.608 1.00 0.00 O ATOM 79 CB VAL A 20 32.534 -13.005 -12.372 1.00 0.00 C ATOM 80 CG1 VAL A 20 31.710 -14.137 -11.724 1.00 0.00 C ATOM 81 CG2 VAL A 20 33.891 -13.582 -12.800 1.00 0.00 C ATOM 0 H VAL A 20 31.047 -13.759 -14.710 1.00 0.00 H new ATOM 0 HA VAL A 20 31.384 -11.352 -13.015 1.00 0.00 H new ATOM 0 HB VAL A 20 32.694 -12.224 -11.628 1.00 0.00 H new ATOM 0 HG11 VAL A 20 32.303 -14.619 -10.947 1.00 0.00 H new ATOM 0 HG12 VAL A 20 30.804 -13.721 -11.284 1.00 0.00 H new ATOM 0 HG13 VAL A 20 31.441 -14.871 -12.483 1.00 0.00 H new ATOM 0 HG21 VAL A 20 34.346 -14.104 -11.958 1.00 0.00 H new ATOM 0 HG22 VAL A 20 33.746 -14.280 -13.624 1.00 0.00 H new ATOM 0 HG23 VAL A 20 34.546 -12.772 -13.122 1.00 0.00 H new ATOM 91 N ASP A 21 33.347 -10.635 -14.428 1.00 0.00 N ATOM 92 CA ASP A 21 34.325 -10.064 -15.339 1.00 0.00 C ATOM 93 C ASP A 21 35.636 -9.765 -14.604 1.00 0.00 C ATOM 94 O ASP A 21 35.647 -9.658 -13.373 1.00 0.00 O ATOM 95 CB ASP A 21 33.722 -8.798 -15.971 1.00 0.00 C ATOM 96 CG ASP A 21 34.016 -8.751 -17.465 1.00 0.00 C ATOM 97 OD1 ASP A 21 35.141 -8.321 -17.800 1.00 0.00 O ATOM 98 OD2 ASP A 21 33.134 -9.193 -18.238 1.00 0.00 O ATOM 0 H ASP A 21 33.177 -10.053 -13.608 1.00 0.00 H new ATOM 0 HA ASP A 21 34.563 -10.775 -16.130 1.00 0.00 H new ATOM 0 HB2 ASP A 21 32.645 -8.781 -15.806 1.00 0.00 H new ATOM 0 HB3 ASP A 21 34.133 -7.912 -15.486 1.00 0.00 H new ATOM 103 N ASN A 22 36.717 -9.587 -15.374 1.00 0.00 N ATOM 104 CA ASN A 22 38.077 -9.337 -14.893 1.00 0.00 C ATOM 105 C ASN A 22 38.682 -10.527 -14.120 1.00 0.00 C ATOM 106 O ASN A 22 39.441 -10.326 -13.177 1.00 0.00 O ATOM 107 CB ASN A 22 38.073 -8.017 -14.093 1.00 0.00 C ATOM 108 CG ASN A 22 39.366 -7.229 -14.170 1.00 0.00 C ATOM 109 OD1 ASN A 22 40.252 -7.474 -14.975 1.00 0.00 O ATOM 110 ND2 ASN A 22 39.501 -6.219 -13.340 1.00 0.00 N ATOM 0 H ASN A 22 36.663 -9.615 -16.392 1.00 0.00 H new ATOM 0 HA ASN A 22 38.744 -9.229 -15.748 1.00 0.00 H new ATOM 0 HB2 ASN A 22 37.258 -7.390 -14.456 1.00 0.00 H new ATOM 0 HB3 ASN A 22 37.861 -8.242 -13.048 1.00 0.00 H new ATOM 0 HD21 ASN A 22 40.343 -5.644 -13.370 1.00 0.00 H new ATOM 0 HD22 ASN A 22 38.764 -6.011 -12.666 1.00 0.00 H new ATOM 117 N VAL A 23 38.340 -11.763 -14.517 1.00 0.00 N ATOM 118 CA VAL A 23 38.805 -13.022 -13.902 1.00 0.00 C ATOM 119 C VAL A 23 39.872 -13.733 -14.747 1.00 0.00 C ATOM 120 O VAL A 23 39.565 -14.644 -15.515 1.00 0.00 O ATOM 121 CB VAL A 23 37.609 -13.899 -13.445 1.00 0.00 C ATOM 122 CG1 VAL A 23 36.619 -14.235 -14.572 1.00 0.00 C ATOM 123 CG2 VAL A 23 38.052 -15.227 -12.823 1.00 0.00 C ATOM 0 H VAL A 23 37.710 -11.922 -15.303 1.00 0.00 H new ATOM 0 HA VAL A 23 39.339 -12.782 -12.983 1.00 0.00 H new ATOM 0 HB VAL A 23 37.111 -13.276 -12.701 1.00 0.00 H new ATOM 0 HG11 VAL A 23 35.811 -14.850 -14.175 1.00 0.00 H new ATOM 0 HG12 VAL A 23 36.206 -13.313 -14.980 1.00 0.00 H new ATOM 0 HG13 VAL A 23 37.137 -14.781 -15.361 1.00 0.00 H new ATOM 0 HG21 VAL A 23 37.174 -15.799 -12.522 1.00 0.00 H new ATOM 0 HG22 VAL A 23 38.624 -15.798 -13.554 1.00 0.00 H new ATOM 0 HG23 VAL A 23 38.674 -15.030 -11.950 1.00 0.00 H new ATOM 133 N PRO A 24 41.147 -13.318 -14.649 1.00 0.00 N ATOM 134 CA PRO A 24 42.229 -13.971 -15.366 1.00 0.00 C ATOM 135 C PRO A 24 42.498 -15.386 -14.830 1.00 0.00 C ATOM 136 O PRO A 24 42.390 -15.642 -13.626 1.00 0.00 O ATOM 137 CB PRO A 24 43.459 -13.066 -15.232 1.00 0.00 C ATOM 138 CG PRO A 24 43.206 -12.349 -13.909 1.00 0.00 C ATOM 139 CD PRO A 24 41.684 -12.196 -13.898 1.00 0.00 C ATOM 0 HA PRO A 24 41.966 -14.105 -16.415 1.00 0.00 H new ATOM 0 HB2 PRO A 24 44.384 -13.641 -15.210 1.00 0.00 H new ATOM 0 HB3 PRO A 24 43.539 -12.366 -16.063 1.00 0.00 H new ATOM 0 HG2 PRO A 24 43.561 -12.931 -13.058 1.00 0.00 H new ATOM 0 HG3 PRO A 24 43.711 -11.384 -13.868 1.00 0.00 H new ATOM 0 HD2 PRO A 24 41.302 -12.195 -12.877 1.00 0.00 H new ATOM 0 HD3 PRO A 24 41.387 -11.250 -14.350 1.00 0.00 H new ATOM 147 N GLN A 25 42.866 -16.309 -15.728 1.00 0.00 N ATOM 148 CA GLN A 25 43.363 -17.632 -15.330 1.00 0.00 C ATOM 149 C GLN A 25 44.698 -17.520 -14.572 1.00 0.00 C ATOM 150 O GLN A 25 45.383 -16.500 -14.645 1.00 0.00 O ATOM 151 CB GLN A 25 43.507 -18.518 -16.574 1.00 0.00 C ATOM 152 CG GLN A 25 43.282 -20.024 -16.337 1.00 0.00 C ATOM 153 CD GLN A 25 44.462 -20.945 -16.659 1.00 0.00 C ATOM 154 OE1 GLN A 25 44.718 -21.903 -15.957 1.00 0.00 O ATOM 155 NE2 GLN A 25 45.168 -20.749 -17.754 1.00 0.00 N ATOM 0 H GLN A 25 42.829 -16.163 -16.737 1.00 0.00 H new ATOM 0 HA GLN A 25 42.645 -18.089 -14.650 1.00 0.00 H new ATOM 0 HB2 GLN A 25 42.799 -18.175 -17.328 1.00 0.00 H new ATOM 0 HB3 GLN A 25 44.506 -18.377 -16.987 1.00 0.00 H new ATOM 0 HG2 GLN A 25 43.010 -20.169 -15.291 1.00 0.00 H new ATOM 0 HG3 GLN A 25 42.428 -20.341 -16.935 1.00 0.00 H new ATOM 0 HE21 GLN A 25 44.966 -19.950 -18.355 1.00 0.00 H new ATOM 0 HE22 GLN A 25 45.916 -21.397 -18.001 1.00 0.00 H new ATOM 164 N VAL A 26 45.082 -18.589 -13.870 1.00 0.00 N ATOM 165 CA VAL A 26 46.259 -18.651 -12.995 1.00 0.00 C ATOM 166 C VAL A 26 46.975 -19.988 -13.179 1.00 0.00 C ATOM 167 O VAL A 26 46.380 -20.944 -13.664 1.00 0.00 O ATOM 168 CB VAL A 26 45.850 -18.461 -11.517 1.00 0.00 C ATOM 169 CG1 VAL A 26 45.233 -17.083 -11.251 1.00 0.00 C ATOM 170 CG2 VAL A 26 44.861 -19.547 -11.055 1.00 0.00 C ATOM 0 H VAL A 26 44.564 -19.468 -13.895 1.00 0.00 H new ATOM 0 HA VAL A 26 46.939 -17.844 -13.268 1.00 0.00 H new ATOM 0 HB VAL A 26 46.774 -18.545 -10.945 1.00 0.00 H new ATOM 0 HG11 VAL A 26 44.964 -17.002 -10.198 1.00 0.00 H new ATOM 0 HG12 VAL A 26 45.956 -16.306 -11.501 1.00 0.00 H new ATOM 0 HG13 VAL A 26 44.340 -16.959 -11.864 1.00 0.00 H new ATOM 0 HG21 VAL A 26 44.598 -19.379 -10.011 1.00 0.00 H new ATOM 0 HG22 VAL A 26 43.961 -19.504 -11.668 1.00 0.00 H new ATOM 0 HG23 VAL A 26 45.324 -20.528 -11.159 1.00 0.00 H new ATOM 180 N GLY A 27 48.243 -20.068 -12.766 1.00 0.00 N ATOM 181 CA GLY A 27 49.049 -21.284 -12.891 1.00 0.00 C ATOM 182 C GLY A 27 48.639 -22.447 -11.958 1.00 0.00 C ATOM 183 O GLY A 27 47.617 -22.386 -11.259 1.00 0.00 O ATOM 0 H GLY A 27 48.740 -19.289 -12.335 1.00 0.00 H new ATOM 0 HA2 GLY A 27 48.995 -21.631 -13.923 1.00 0.00 H new ATOM 0 HA3 GLY A 27 50.091 -21.032 -12.694 1.00 0.00 H new ATOM 187 N PRO A 28 49.439 -23.531 -11.941 1.00 0.00 N ATOM 188 CA PRO A 28 49.195 -24.698 -11.104 1.00 0.00 C ATOM 189 C PRO A 28 49.238 -24.339 -9.612 1.00 0.00 C ATOM 190 O PRO A 28 49.649 -23.245 -9.228 1.00 0.00 O ATOM 191 CB PRO A 28 50.250 -25.731 -11.498 1.00 0.00 C ATOM 192 CG PRO A 28 51.402 -24.874 -12.014 1.00 0.00 C ATOM 193 CD PRO A 28 50.685 -23.697 -12.677 1.00 0.00 C ATOM 0 HA PRO A 28 48.195 -25.103 -11.261 1.00 0.00 H new ATOM 0 HB2 PRO A 28 50.552 -26.342 -10.648 1.00 0.00 H new ATOM 0 HB3 PRO A 28 49.880 -26.412 -12.264 1.00 0.00 H new ATOM 0 HG2 PRO A 28 52.054 -24.545 -11.205 1.00 0.00 H new ATOM 0 HG3 PRO A 28 52.024 -25.419 -12.724 1.00 0.00 H new ATOM 0 HD2 PRO A 28 51.291 -22.792 -12.630 1.00 0.00 H new ATOM 0 HD3 PRO A 28 50.494 -23.898 -13.731 1.00 0.00 H new ATOM 201 N ASP A 29 48.783 -25.275 -8.761 1.00 0.00 N ATOM 202 CA ASP A 29 48.710 -25.124 -7.296 1.00 0.00 C ATOM 203 C ASP A 29 47.728 -24.018 -6.848 1.00 0.00 C ATOM 204 O ASP A 29 47.670 -23.697 -5.665 1.00 0.00 O ATOM 205 CB ASP A 29 50.142 -24.949 -6.729 1.00 0.00 C ATOM 206 CG ASP A 29 50.268 -25.218 -5.229 1.00 0.00 C ATOM 207 OD1 ASP A 29 49.742 -26.257 -4.781 1.00 0.00 O ATOM 208 OD2 ASP A 29 50.961 -24.411 -4.566 1.00 0.00 O ATOM 0 H ASP A 29 48.446 -26.183 -9.082 1.00 0.00 H new ATOM 0 HA ASP A 29 48.286 -26.035 -6.872 1.00 0.00 H new ATOM 0 HB2 ASP A 29 50.815 -25.620 -7.263 1.00 0.00 H new ATOM 0 HB3 ASP A 29 50.478 -23.932 -6.932 1.00 0.00 H new ATOM 213 N ARG A 30 46.951 -23.442 -7.778 1.00 0.00 N ATOM 214 CA ARG A 30 45.973 -22.364 -7.532 1.00 0.00 C ATOM 215 C ARG A 30 44.770 -22.372 -8.496 1.00 0.00 C ATOM 216 O ARG A 30 43.678 -21.973 -8.085 1.00 0.00 O ATOM 217 CB ARG A 30 46.741 -21.027 -7.555 1.00 0.00 C ATOM 218 CG ARG A 30 45.866 -19.775 -7.367 1.00 0.00 C ATOM 219 CD ARG A 30 46.533 -18.710 -6.486 1.00 0.00 C ATOM 220 NE ARG A 30 46.294 -17.352 -7.008 1.00 0.00 N ATOM 221 CZ ARG A 30 46.979 -16.755 -7.979 1.00 0.00 C ATOM 222 NH1 ARG A 30 47.977 -17.347 -8.606 1.00 0.00 N ATOM 223 NH2 ARG A 30 46.666 -15.536 -8.351 1.00 0.00 N ATOM 0 H ARG A 30 46.986 -23.722 -8.758 1.00 0.00 H new ATOM 0 HA ARG A 30 45.513 -22.523 -6.557 1.00 0.00 H new ATOM 0 HB2 ARG A 30 47.497 -21.045 -6.770 1.00 0.00 H new ATOM 0 HB3 ARG A 30 47.269 -20.944 -8.505 1.00 0.00 H new ATOM 0 HG2 ARG A 30 45.642 -19.344 -8.343 1.00 0.00 H new ATOM 0 HG3 ARG A 30 44.915 -20.066 -6.921 1.00 0.00 H new ATOM 0 HD2 ARG A 30 46.147 -18.783 -5.469 1.00 0.00 H new ATOM 0 HD3 ARG A 30 47.605 -18.898 -6.435 1.00 0.00 H new ATOM 0 HE ARG A 30 45.533 -16.821 -6.585 1.00 0.00 H new ATOM 0 HH11 ARG A 30 48.248 -18.297 -8.351 1.00 0.00 H new ATOM 0 HH12 ARG A 30 48.478 -16.855 -9.346 1.00 0.00 H new ATOM 0 HH21 ARG A 30 45.897 -15.045 -7.895 1.00 0.00 H new ATOM 0 HH22 ARG A 30 47.192 -15.079 -9.096 1.00 0.00 H new ATOM 237 N LEU A 31 44.914 -22.887 -9.725 1.00 0.00 N ATOM 238 CA LEU A 31 43.806 -23.011 -10.692 1.00 0.00 C ATOM 239 C LEU A 31 42.552 -23.720 -10.147 1.00 0.00 C ATOM 240 O LEU A 31 41.431 -23.380 -10.516 1.00 0.00 O ATOM 241 CB LEU A 31 44.304 -23.672 -11.990 1.00 0.00 C ATOM 242 CG LEU A 31 44.432 -25.215 -11.974 1.00 0.00 C ATOM 243 CD1 LEU A 31 44.891 -25.714 -13.346 1.00 0.00 C ATOM 244 CD2 LEU A 31 45.450 -25.711 -10.941 1.00 0.00 C ATOM 0 H LEU A 31 45.805 -23.232 -10.081 1.00 0.00 H new ATOM 0 HA LEU A 31 43.477 -21.993 -10.902 1.00 0.00 H new ATOM 0 HB2 LEU A 31 43.625 -23.394 -12.796 1.00 0.00 H new ATOM 0 HB3 LEU A 31 45.279 -23.251 -12.235 1.00 0.00 H new ATOM 0 HG LEU A 31 43.447 -25.603 -11.714 1.00 0.00 H new ATOM 0 HD11 LEU A 31 44.979 -26.800 -13.327 1.00 0.00 H new ATOM 0 HD12 LEU A 31 44.162 -25.422 -14.102 1.00 0.00 H new ATOM 0 HD13 LEU A 31 45.859 -25.276 -13.587 1.00 0.00 H new ATOM 0 HD21 LEU A 31 45.500 -26.799 -10.973 1.00 0.00 H new ATOM 0 HD22 LEU A 31 46.432 -25.296 -11.170 1.00 0.00 H new ATOM 0 HD23 LEU A 31 45.144 -25.390 -9.945 1.00 0.00 H new ATOM 256 N GLU A 32 42.743 -24.690 -9.249 1.00 0.00 N ATOM 257 CA GLU A 32 41.676 -25.441 -8.580 1.00 0.00 C ATOM 258 C GLU A 32 40.884 -24.487 -7.693 1.00 0.00 C ATOM 259 O GLU A 32 39.667 -24.366 -7.838 1.00 0.00 O ATOM 260 CB GLU A 32 42.286 -26.551 -7.711 1.00 0.00 C ATOM 261 CG GLU A 32 43.028 -27.643 -8.505 1.00 0.00 C ATOM 262 CD GLU A 32 44.421 -27.954 -7.934 1.00 0.00 C ATOM 263 OE1 GLU A 32 44.559 -27.981 -6.688 1.00 0.00 O ATOM 264 OE2 GLU A 32 45.347 -28.138 -8.753 1.00 0.00 O ATOM 0 H GLU A 32 43.675 -24.984 -8.958 1.00 0.00 H new ATOM 0 HA GLU A 32 41.022 -25.890 -9.327 1.00 0.00 H new ATOM 0 HB2 GLU A 32 42.979 -26.100 -7.001 1.00 0.00 H new ATOM 0 HB3 GLU A 32 41.492 -27.018 -7.129 1.00 0.00 H new ATOM 0 HG2 GLU A 32 42.430 -28.554 -8.507 1.00 0.00 H new ATOM 0 HG3 GLU A 32 43.129 -27.326 -9.543 1.00 0.00 H new ATOM 271 N LYS A 33 41.612 -23.766 -6.822 1.00 0.00 N ATOM 272 CA LYS A 33 41.113 -22.734 -5.910 1.00 0.00 C ATOM 273 C LYS A 33 40.260 -21.712 -6.655 1.00 0.00 C ATOM 274 O LYS A 33 39.217 -21.360 -6.132 1.00 0.00 O ATOM 275 CB LYS A 33 42.281 -22.090 -5.129 1.00 0.00 C ATOM 276 CG LYS A 33 42.138 -22.245 -3.606 1.00 0.00 C ATOM 277 CD LYS A 33 42.171 -23.710 -3.122 1.00 0.00 C ATOM 278 CE LYS A 33 43.196 -23.920 -2.003 1.00 0.00 C ATOM 279 NZ LYS A 33 44.561 -24.110 -2.538 1.00 0.00 N ATOM 0 H LYS A 33 42.620 -23.899 -6.735 1.00 0.00 H new ATOM 0 HA LYS A 33 40.459 -23.199 -5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 33 43.219 -22.543 -5.449 1.00 0.00 H new ATOM 0 HB3 LYS A 33 42.338 -21.030 -5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 33 42.941 -21.693 -3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 33 41.199 -21.789 -3.291 1.00 0.00 H new ATOM 0 HD2 LYS A 33 41.181 -23.997 -2.766 1.00 0.00 H new ATOM 0 HD3 LYS A 33 42.410 -24.364 -3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 33 43.184 -23.060 -1.333 1.00 0.00 H new ATOM 0 HE3 LYS A 33 42.914 -24.790 -1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 45.226 -24.249 -1.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.578 -24.945 -3.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.840 -23.269 -3.083 1.00 0.00 H new ATOM 293 N LEU A 34 40.621 -21.326 -7.882 1.00 0.00 N ATOM 294 CA LEU A 34 39.826 -20.430 -8.725 1.00 0.00 C ATOM 295 C LEU A 34 38.337 -20.837 -8.753 1.00 0.00 C ATOM 296 O LEU A 34 37.484 -20.071 -8.311 1.00 0.00 O ATOM 297 CB LEU A 34 40.451 -20.340 -10.132 1.00 0.00 C ATOM 298 CG LEU A 34 40.512 -18.926 -10.744 1.00 0.00 C ATOM 299 CD1 LEU A 34 39.157 -18.204 -10.724 1.00 0.00 C ATOM 300 CD2 LEU A 34 41.584 -18.031 -10.102 1.00 0.00 C ATOM 0 H LEU A 34 41.488 -21.632 -8.324 1.00 0.00 H new ATOM 0 HA LEU A 34 39.846 -19.430 -8.291 1.00 0.00 H new ATOM 0 HB2 LEU A 34 41.464 -20.741 -10.087 1.00 0.00 H new ATOM 0 HB3 LEU A 34 39.883 -20.983 -10.804 1.00 0.00 H new ATOM 0 HG LEU A 34 40.794 -19.096 -11.783 1.00 0.00 H new ATOM 0 HD11 LEU A 34 39.265 -17.214 -11.168 1.00 0.00 H new ATOM 0 HD12 LEU A 34 38.429 -18.780 -11.295 1.00 0.00 H new ATOM 0 HD13 LEU A 34 38.813 -18.104 -9.694 1.00 0.00 H new ATOM 0 HD21 LEU A 34 41.573 -17.051 -10.579 1.00 0.00 H new ATOM 0 HD22 LEU A 34 41.375 -17.919 -9.038 1.00 0.00 H new ATOM 0 HD23 LEU A 34 42.565 -18.487 -10.233 1.00 0.00 H new ATOM 312 N LYS A 35 38.023 -22.063 -9.204 1.00 0.00 N ATOM 313 CA LYS A 35 36.654 -22.617 -9.190 1.00 0.00 C ATOM 314 C LYS A 35 36.201 -23.049 -7.789 1.00 0.00 C ATOM 315 O LYS A 35 35.021 -22.925 -7.464 1.00 0.00 O ATOM 316 CB LYS A 35 36.566 -23.724 -10.258 1.00 0.00 C ATOM 317 CG LYS A 35 35.198 -24.412 -10.406 1.00 0.00 C ATOM 318 CD LYS A 35 34.949 -25.554 -9.403 1.00 0.00 C ATOM 319 CE LYS A 35 34.369 -26.797 -10.093 1.00 0.00 C ATOM 320 NZ LYS A 35 33.769 -27.727 -9.116 1.00 0.00 N ATOM 0 H LYS A 35 38.715 -22.704 -9.592 1.00 0.00 H new ATOM 0 HA LYS A 35 35.938 -21.838 -9.452 1.00 0.00 H new ATOM 0 HB2 LYS A 35 36.840 -23.294 -11.221 1.00 0.00 H new ATOM 0 HB3 LYS A 35 37.310 -24.486 -10.025 1.00 0.00 H new ATOM 0 HG2 LYS A 35 34.414 -23.664 -10.288 1.00 0.00 H new ATOM 0 HG3 LYS A 35 35.112 -24.808 -11.418 1.00 0.00 H new ATOM 0 HD2 LYS A 35 35.885 -25.815 -8.909 1.00 0.00 H new ATOM 0 HD3 LYS A 35 34.263 -25.214 -8.627 1.00 0.00 H new ATOM 0 HE2 LYS A 35 33.614 -26.493 -10.819 1.00 0.00 H new ATOM 0 HE3 LYS A 35 35.157 -27.308 -10.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 33.387 -28.556 -9.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 34.496 -28.035 -8.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 33.001 -27.246 -8.605 1.00 0.00 H new ATOM 334 N ASN A 36 37.114 -23.526 -6.939 1.00 0.00 N ATOM 335 CA ASN A 36 36.791 -23.959 -5.581 1.00 0.00 C ATOM 336 C ASN A 36 36.261 -22.802 -4.724 1.00 0.00 C ATOM 337 O ASN A 36 35.157 -22.938 -4.202 1.00 0.00 O ATOM 338 CB ASN A 36 38.001 -24.649 -4.904 1.00 0.00 C ATOM 339 CG ASN A 36 37.744 -26.090 -4.493 1.00 0.00 C ATOM 340 OD1 ASN A 36 38.577 -26.960 -4.669 1.00 0.00 O ATOM 341 ND2 ASN A 36 36.597 -26.399 -3.922 1.00 0.00 N ATOM 0 H ASN A 36 38.101 -23.622 -7.176 1.00 0.00 H new ATOM 0 HA ASN A 36 35.991 -24.695 -5.662 1.00 0.00 H new ATOM 0 HB2 ASN A 36 38.849 -24.623 -5.588 1.00 0.00 H new ATOM 0 HB3 ASN A 36 38.285 -24.076 -4.021 1.00 0.00 H new ATOM 0 HD21 ASN A 36 36.414 -27.360 -3.632 1.00 0.00 H new ATOM 0 HD22 ASN A 36 35.892 -25.677 -3.770 1.00 0.00 H new ATOM 348 N VAL A 37 37.002 -21.686 -4.594 1.00 0.00 N ATOM 349 CA VAL A 37 36.594 -20.506 -3.811 1.00 0.00 C ATOM 350 C VAL A 37 35.239 -19.995 -4.270 1.00 0.00 C ATOM 351 O VAL A 37 34.424 -19.671 -3.419 1.00 0.00 O ATOM 352 CB VAL A 37 37.626 -19.355 -3.776 1.00 0.00 C ATOM 353 CG1 VAL A 37 39.008 -19.825 -3.299 1.00 0.00 C ATOM 354 CG2 VAL A 37 37.784 -18.570 -5.090 1.00 0.00 C ATOM 0 H VAL A 37 37.914 -21.578 -5.037 1.00 0.00 H new ATOM 0 HA VAL A 37 36.528 -20.861 -2.783 1.00 0.00 H new ATOM 0 HB VAL A 37 37.197 -18.663 -3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 37 39.697 -18.980 -3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 37 38.926 -20.235 -2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 37 39.384 -20.594 -3.974 1.00 0.00 H new ATOM 0 HG21 VAL A 37 38.530 -17.787 -4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 37 38.104 -19.247 -5.882 1.00 0.00 H new ATOM 0 HG23 VAL A 37 36.829 -18.120 -5.362 1.00 0.00 H new ATOM 364 N ILE A 38 34.962 -20.037 -5.581 1.00 0.00 N ATOM 365 CA ILE A 38 33.647 -19.766 -6.167 1.00 0.00 C ATOM 366 C ILE A 38 32.552 -20.628 -5.517 1.00 0.00 C ATOM 367 O ILE A 38 31.523 -20.090 -5.111 1.00 0.00 O ATOM 368 CB ILE A 38 33.687 -19.867 -7.719 1.00 0.00 C ATOM 369 CG1 ILE A 38 33.760 -18.458 -8.349 1.00 0.00 C ATOM 370 CG2 ILE A 38 32.465 -20.575 -8.341 1.00 0.00 C ATOM 371 CD1 ILE A 38 35.127 -17.786 -8.219 1.00 0.00 C ATOM 0 H ILE A 38 35.668 -20.267 -6.280 1.00 0.00 H new ATOM 0 HA ILE A 38 33.378 -18.733 -5.944 1.00 0.00 H new ATOM 0 HB ILE A 38 34.574 -20.463 -7.934 1.00 0.00 H new ATOM 0 HG12 ILE A 38 33.502 -18.530 -9.405 1.00 0.00 H new ATOM 0 HG13 ILE A 38 33.009 -17.823 -7.880 1.00 0.00 H new ATOM 0 HG21 ILE A 38 32.573 -20.602 -9.425 1.00 0.00 H new ATOM 0 HG22 ILE A 38 32.400 -21.593 -7.957 1.00 0.00 H new ATOM 0 HG23 ILE A 38 31.557 -20.030 -8.081 1.00 0.00 H new ATOM 0 HD11 ILE A 38 35.094 -16.802 -8.686 1.00 0.00 H new ATOM 0 HD12 ILE A 38 35.381 -17.679 -7.164 1.00 0.00 H new ATOM 0 HD13 ILE A 38 35.882 -18.398 -8.714 1.00 0.00 H new ATOM 383 N HIS A 39 32.760 -21.944 -5.359 1.00 0.00 N ATOM 384 CA HIS A 39 31.760 -22.807 -4.715 1.00 0.00 C ATOM 385 C HIS A 39 31.550 -22.465 -3.239 1.00 0.00 C ATOM 386 O HIS A 39 30.405 -22.462 -2.796 1.00 0.00 O ATOM 387 CB HIS A 39 32.029 -24.305 -4.933 1.00 0.00 C ATOM 388 CG HIS A 39 31.554 -24.799 -6.279 1.00 0.00 C ATOM 389 ND1 HIS A 39 30.559 -25.729 -6.501 1.00 0.00 N ATOM 390 CD2 HIS A 39 31.992 -24.357 -7.499 1.00 0.00 C ATOM 391 CE1 HIS A 39 30.392 -25.844 -7.837 1.00 0.00 C ATOM 392 NE2 HIS A 39 31.255 -25.020 -8.457 1.00 0.00 N ATOM 0 H HIS A 39 33.603 -22.430 -5.665 1.00 0.00 H new ATOM 0 HA HIS A 39 30.818 -22.593 -5.220 1.00 0.00 H new ATOM 0 HB2 HIS A 39 33.098 -24.494 -4.839 1.00 0.00 H new ATOM 0 HB3 HIS A 39 31.534 -24.876 -4.147 1.00 0.00 H new ATOM 0 HD2 HIS A 39 32.768 -23.627 -7.677 1.00 0.00 H new ATOM 0 HE1 HIS A 39 29.681 -26.492 -8.327 1.00 0.00 H new ATOM 0 HE2 HIS A 39 31.349 -24.905 -9.466 1.00 0.00 H new ATOM 401 N LYS A 40 32.613 -22.144 -2.482 1.00 0.00 N ATOM 402 CA LYS A 40 32.469 -21.757 -1.066 1.00 0.00 C ATOM 403 C LYS A 40 31.866 -20.356 -0.894 1.00 0.00 C ATOM 404 O LYS A 40 30.912 -20.221 -0.129 1.00 0.00 O ATOM 405 CB LYS A 40 33.781 -21.846 -0.277 1.00 0.00 C ATOM 406 CG LYS A 40 34.395 -23.252 -0.127 1.00 0.00 C ATOM 407 CD LYS A 40 35.279 -23.628 -1.320 1.00 0.00 C ATOM 408 CE LYS A 40 36.500 -24.482 -0.975 1.00 0.00 C ATOM 409 NZ LYS A 40 36.160 -25.894 -0.721 1.00 0.00 N ATOM 0 H LYS A 40 33.575 -22.144 -2.822 1.00 0.00 H new ATOM 0 HA LYS A 40 31.776 -22.490 -0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 40 34.515 -21.202 -0.761 1.00 0.00 H new ATOM 0 HB3 LYS A 40 33.609 -21.440 0.720 1.00 0.00 H new ATOM 0 HG2 LYS A 40 34.986 -23.293 0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 40 33.596 -23.986 -0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 40 34.672 -24.166 -2.048 1.00 0.00 H new ATOM 0 HD3 LYS A 40 35.619 -22.712 -1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 40 37.218 -24.428 -1.794 1.00 0.00 H new ATOM 0 HE3 LYS A 40 36.990 -24.067 -0.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 37.029 -26.431 -0.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 35.523 -25.956 0.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 35.687 -26.293 -1.557 1.00 0.00 H new ATOM 423 N ILE A 41 32.374 -19.331 -1.593 1.00 0.00 N ATOM 424 CA ILE A 41 31.892 -17.948 -1.448 1.00 0.00 C ATOM 425 C ILE A 41 30.398 -17.836 -1.722 1.00 0.00 C ATOM 426 O ILE A 41 29.680 -17.125 -1.024 1.00 0.00 O ATOM 427 CB ILE A 41 32.675 -16.959 -2.338 1.00 0.00 C ATOM 428 CG1 ILE A 41 32.428 -15.504 -1.889 1.00 0.00 C ATOM 429 CG2 ILE A 41 32.405 -17.124 -3.844 1.00 0.00 C ATOM 430 CD1 ILE A 41 31.357 -14.696 -2.654 1.00 0.00 C ATOM 0 H ILE A 41 33.128 -19.435 -2.272 1.00 0.00 H new ATOM 0 HA ILE A 41 32.070 -17.674 -0.408 1.00 0.00 H new ATOM 0 HB ILE A 41 33.728 -17.203 -2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 41 32.149 -15.519 -0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 41 33.372 -14.964 -1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 41 32.992 -16.394 -4.401 1.00 0.00 H new ATOM 0 HG22 ILE A 41 32.687 -18.130 -4.156 1.00 0.00 H new ATOM 0 HG23 ILE A 41 31.345 -16.966 -4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 41 31.289 -13.693 -2.233 1.00 0.00 H new ATOM 0 HD12 ILE A 41 31.634 -14.630 -3.706 1.00 0.00 H new ATOM 0 HD13 ILE A 41 30.392 -15.194 -2.563 1.00 0.00 H new ATOM 442 N PHE A 42 29.933 -18.570 -2.736 1.00 0.00 N ATOM 443 CA PHE A 42 28.545 -18.552 -3.139 1.00 0.00 C ATOM 444 C PHE A 42 27.685 -19.553 -2.349 1.00 0.00 C ATOM 445 O PHE A 42 26.467 -19.578 -2.524 1.00 0.00 O ATOM 446 CB PHE A 42 28.479 -18.691 -4.664 1.00 0.00 C ATOM 447 CG PHE A 42 28.923 -17.452 -5.437 1.00 0.00 C ATOM 448 CD1 PHE A 42 28.297 -16.214 -5.213 1.00 0.00 C ATOM 449 CD2 PHE A 42 29.907 -17.536 -6.439 1.00 0.00 C ATOM 450 CE1 PHE A 42 28.650 -15.078 -5.956 1.00 0.00 C ATOM 451 CE2 PHE A 42 30.266 -16.401 -7.184 1.00 0.00 C ATOM 452 CZ PHE A 42 29.638 -15.167 -6.941 1.00 0.00 C ATOM 0 H PHE A 42 30.518 -19.191 -3.295 1.00 0.00 H new ATOM 0 HA PHE A 42 28.091 -17.595 -2.882 1.00 0.00 H new ATOM 0 HB2 PHE A 42 29.102 -19.533 -4.966 1.00 0.00 H new ATOM 0 HB3 PHE A 42 27.455 -18.933 -4.949 1.00 0.00 H new ATOM 0 HD1 PHE A 42 27.531 -16.136 -4.456 1.00 0.00 H new ATOM 0 HD2 PHE A 42 30.390 -18.481 -6.637 1.00 0.00 H new ATOM 0 HE1 PHE A 42 28.159 -14.135 -5.767 1.00 0.00 H new ATOM 0 HE2 PHE A 42 31.027 -16.476 -7.946 1.00 0.00 H new ATOM 0 HZ PHE A 42 29.917 -14.293 -7.512 1.00 0.00 H new ATOM 462 N SER A 43 28.285 -20.320 -1.426 1.00 0.00 N ATOM 463 CA SER A 43 27.581 -21.319 -0.618 1.00 0.00 C ATOM 464 C SER A 43 26.739 -20.712 0.510 1.00 0.00 C ATOM 465 O SER A 43 25.805 -21.361 0.971 1.00 0.00 O ATOM 466 CB SER A 43 28.551 -22.326 0.007 1.00 0.00 C ATOM 467 OG SER A 43 27.901 -23.578 0.069 1.00 0.00 O ATOM 0 H SER A 43 29.282 -20.261 -1.220 1.00 0.00 H new ATOM 0 HA SER A 43 26.912 -21.817 -1.320 1.00 0.00 H new ATOM 0 HB2 SER A 43 29.461 -22.398 -0.588 1.00 0.00 H new ATOM 0 HB3 SER A 43 28.848 -22.001 1.004 1.00 0.00 H new ATOM 0 HG SER A 43 28.505 -24.241 0.465 1.00 0.00 H new ATOM 473 N LYS A 44 27.041 -19.486 0.976 1.00 0.00 N ATOM 474 CA LYS A 44 26.211 -18.795 1.986 1.00 0.00 C ATOM 475 C LYS A 44 24.840 -18.384 1.433 1.00 0.00 C ATOM 476 O LYS A 44 23.894 -18.252 2.203 1.00 0.00 O ATOM 477 CB LYS A 44 26.929 -17.574 2.600 1.00 0.00 C ATOM 478 CG LYS A 44 27.574 -16.660 1.549 1.00 0.00 C ATOM 479 CD LYS A 44 28.072 -15.322 2.116 1.00 0.00 C ATOM 480 CE LYS A 44 29.260 -14.824 1.278 1.00 0.00 C ATOM 481 NZ LYS A 44 30.538 -15.317 1.831 1.00 0.00 N ATOM 0 H LYS A 44 27.854 -18.951 0.670 1.00 0.00 H new ATOM 0 HA LYS A 44 26.047 -19.523 2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 44 26.213 -16.996 3.185 1.00 0.00 H new ATOM 0 HB3 LYS A 44 27.697 -17.922 3.290 1.00 0.00 H new ATOM 0 HG2 LYS A 44 28.412 -17.184 1.090 1.00 0.00 H new ATOM 0 HG3 LYS A 44 26.850 -16.463 0.759 1.00 0.00 H new ATOM 0 HD2 LYS A 44 27.268 -14.586 2.101 1.00 0.00 H new ATOM 0 HD3 LYS A 44 28.373 -15.444 3.157 1.00 0.00 H new ATOM 0 HE2 LYS A 44 29.150 -15.162 0.248 1.00 0.00 H new ATOM 0 HE3 LYS A 44 29.264 -13.734 1.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 31.326 -14.968 1.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 30.650 -14.974 2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 30.539 -16.357 1.828 1.00 0.00 H new ATOM 495 N PHE A 45 24.728 -18.202 0.112 1.00 0.00 N ATOM 496 CA PHE A 45 23.484 -17.803 -0.559 1.00 0.00 C ATOM 497 C PHE A 45 22.651 -19.006 -1.037 1.00 0.00 C ATOM 498 O PHE A 45 21.485 -18.839 -1.391 1.00 0.00 O ATOM 499 CB PHE A 45 23.804 -16.898 -1.758 1.00 0.00 C ATOM 500 CG PHE A 45 24.918 -15.889 -1.526 1.00 0.00 C ATOM 501 CD1 PHE A 45 24.787 -14.862 -0.578 1.00 0.00 C ATOM 502 CD2 PHE A 45 26.122 -16.026 -2.235 1.00 0.00 C ATOM 503 CE1 PHE A 45 25.853 -13.966 -0.356 1.00 0.00 C ATOM 504 CE2 PHE A 45 27.190 -15.137 -2.011 1.00 0.00 C ATOM 505 CZ PHE A 45 27.047 -14.097 -1.078 1.00 0.00 C ATOM 0 H PHE A 45 25.510 -18.329 -0.531 1.00 0.00 H new ATOM 0 HA PHE A 45 22.887 -17.265 0.177 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.075 -17.527 -2.606 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.899 -16.359 -2.038 1.00 0.00 H new ATOM 0 HD1 PHE A 45 23.869 -14.758 -0.018 1.00 0.00 H new ATOM 0 HD2 PHE A 45 26.230 -16.820 -2.959 1.00 0.00 H new ATOM 0 HE1 PHE A 45 25.749 -13.176 0.373 1.00 0.00 H new ATOM 0 HE2 PHE A 45 28.116 -15.254 -2.554 1.00 0.00 H new ATOM 0 HZ PHE A 45 27.856 -13.399 -0.917 1.00 0.00 H new ATOM 515 N GLY A 46 23.238 -20.210 -1.071 1.00 0.00 N ATOM 516 CA GLY A 46 22.591 -21.419 -1.570 1.00 0.00 C ATOM 517 C GLY A 46 23.602 -22.475 -2.026 1.00 0.00 C ATOM 518 O GLY A 46 24.690 -22.590 -1.475 1.00 0.00 O ATOM 0 H GLY A 46 24.192 -20.368 -0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.959 -21.839 -0.788 1.00 0.00 H new ATOM 0 HA3 GLY A 46 21.938 -21.161 -2.404 1.00 0.00 H new ATOM 522 N LYS A 47 23.234 -23.275 -3.036 1.00 0.00 N ATOM 523 CA LYS A 47 24.100 -24.290 -3.650 1.00 0.00 C ATOM 524 C LYS A 47 24.118 -24.094 -5.171 1.00 0.00 C ATOM 525 O LYS A 47 23.062 -24.064 -5.806 1.00 0.00 O ATOM 526 CB LYS A 47 23.603 -25.692 -3.247 1.00 0.00 C ATOM 527 CG LYS A 47 24.658 -26.791 -3.480 1.00 0.00 C ATOM 528 CD LYS A 47 25.515 -27.053 -2.228 1.00 0.00 C ATOM 529 CE LYS A 47 26.719 -27.961 -2.519 1.00 0.00 C ATOM 530 NZ LYS A 47 26.311 -29.339 -2.866 1.00 0.00 N ATOM 0 H LYS A 47 22.306 -23.233 -3.458 1.00 0.00 H new ATOM 0 HA LYS A 47 25.125 -24.187 -3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 47 23.321 -25.683 -2.194 1.00 0.00 H new ATOM 0 HB3 LYS A 47 22.705 -25.931 -3.816 1.00 0.00 H new ATOM 0 HG2 LYS A 47 24.159 -27.714 -3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 47 25.306 -26.500 -4.307 1.00 0.00 H new ATOM 0 HD2 LYS A 47 25.869 -26.103 -1.829 1.00 0.00 H new ATOM 0 HD3 LYS A 47 24.896 -27.512 -1.457 1.00 0.00 H new ATOM 0 HE2 LYS A 47 27.300 -27.539 -3.339 1.00 0.00 H new ATOM 0 HE3 LYS A 47 27.372 -27.986 -1.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 27.157 -29.915 -3.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 25.779 -29.753 -2.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 25.710 -29.320 -3.714 1.00 0.00 H new ATOM 544 N ILE A 48 25.311 -23.911 -5.739 1.00 0.00 N ATOM 545 CA ILE A 48 25.502 -23.764 -7.185 1.00 0.00 C ATOM 546 C ILE A 48 25.469 -25.155 -7.829 1.00 0.00 C ATOM 547 O ILE A 48 26.247 -26.031 -7.449 1.00 0.00 O ATOM 548 CB ILE A 48 26.831 -23.059 -7.526 1.00 0.00 C ATOM 549 CG1 ILE A 48 27.100 -21.826 -6.633 1.00 0.00 C ATOM 550 CG2 ILE A 48 26.813 -22.616 -8.995 1.00 0.00 C ATOM 551 CD1 ILE A 48 28.236 -22.079 -5.644 1.00 0.00 C ATOM 0 H ILE A 48 26.179 -23.860 -5.206 1.00 0.00 H new ATOM 0 HA ILE A 48 24.698 -23.140 -7.576 1.00 0.00 H new ATOM 0 HB ILE A 48 27.630 -23.778 -7.345 1.00 0.00 H new ATOM 0 HG12 ILE A 48 27.348 -20.970 -7.260 1.00 0.00 H new ATOM 0 HG13 ILE A 48 26.193 -21.568 -6.086 1.00 0.00 H new ATOM 0 HG21 ILE A 48 27.752 -22.118 -9.236 1.00 0.00 H new ATOM 0 HG22 ILE A 48 26.690 -23.488 -9.637 1.00 0.00 H new ATOM 0 HG23 ILE A 48 25.984 -21.927 -9.157 1.00 0.00 H new ATOM 0 HD11 ILE A 48 28.394 -21.189 -5.035 1.00 0.00 H new ATOM 0 HD12 ILE A 48 27.977 -22.918 -4.999 1.00 0.00 H new ATOM 0 HD13 ILE A 48 29.150 -22.311 -6.191 1.00 0.00 H new ATOM 563 N THR A 49 24.571 -25.357 -8.797 1.00 0.00 N ATOM 564 CA THR A 49 24.408 -26.651 -9.482 1.00 0.00 C ATOM 565 C THR A 49 25.048 -26.706 -10.877 1.00 0.00 C ATOM 566 O THR A 49 25.144 -27.806 -11.419 1.00 0.00 O ATOM 567 CB THR A 49 22.923 -27.041 -9.562 1.00 0.00 C ATOM 568 OG1 THR A 49 22.810 -28.292 -10.210 1.00 0.00 O ATOM 569 CG2 THR A 49 22.054 -25.990 -10.264 1.00 0.00 C ATOM 0 H THR A 49 23.935 -24.632 -9.131 1.00 0.00 H new ATOM 0 HA THR A 49 24.948 -27.376 -8.872 1.00 0.00 H new ATOM 0 HB THR A 49 22.546 -27.105 -8.541 1.00 0.00 H new ATOM 0 HG1 THR A 49 23.564 -28.411 -10.825 1.00 0.00 H new ATOM 0 HG21 THR A 49 21.018 -26.329 -10.285 1.00 0.00 H new ATOM 0 HG22 THR A 49 22.115 -25.046 -9.722 1.00 0.00 H new ATOM 0 HG23 THR A 49 22.410 -25.846 -11.284 1.00 0.00 H new ATOM 577 N ASN A 50 25.471 -25.568 -11.445 1.00 0.00 N ATOM 578 CA ASN A 50 26.182 -25.479 -12.722 1.00 0.00 C ATOM 579 C ASN A 50 27.545 -24.795 -12.544 1.00 0.00 C ATOM 580 O ASN A 50 27.773 -24.130 -11.538 1.00 0.00 O ATOM 581 CB ASN A 50 25.325 -24.665 -13.693 1.00 0.00 C ATOM 582 CG ASN A 50 24.105 -25.413 -14.205 1.00 0.00 C ATOM 583 OD1 ASN A 50 22.989 -25.352 -13.509 1.00 0.00 O flip ATOM 584 ND2 ASN A 50 24.143 -26.048 -15.247 1.00 0.00 N flip ATOM 0 H ASN A 50 25.321 -24.657 -11.012 1.00 0.00 H new ATOM 0 HA ASN A 50 26.355 -26.483 -13.109 1.00 0.00 H new ATOM 0 HB2 ASN A 50 24.998 -23.751 -13.197 1.00 0.00 H new ATOM 0 HB3 ASN A 50 25.939 -24.365 -14.542 1.00 0.00 H new ATOM 0 HD21 ASN A 50 25.008 -26.094 -15.785 1.00 0.00 H new ATOM 0 HD22 ASN A 50 23.309 -26.532 -15.580 1.00 0.00 H new ATOM 591 N ASP A 51 28.433 -24.895 -13.540 1.00 0.00 N ATOM 592 CA ASP A 51 29.721 -24.182 -13.564 1.00 0.00 C ATOM 593 C ASP A 51 30.377 -24.228 -14.954 1.00 0.00 C ATOM 594 O ASP A 51 30.571 -25.306 -15.508 1.00 0.00 O ATOM 595 CB ASP A 51 30.683 -24.739 -12.489 1.00 0.00 C ATOM 596 CG ASP A 51 30.566 -26.242 -12.194 1.00 0.00 C ATOM 597 OD1 ASP A 51 31.004 -27.047 -13.052 1.00 0.00 O ATOM 598 OD2 ASP A 51 30.112 -26.575 -11.079 1.00 0.00 O ATOM 0 H ASP A 51 28.278 -25.479 -14.362 1.00 0.00 H new ATOM 0 HA ASP A 51 29.513 -23.137 -13.334 1.00 0.00 H new ATOM 0 HB2 ASP A 51 31.706 -24.529 -12.801 1.00 0.00 H new ATOM 0 HB3 ASP A 51 30.515 -24.193 -11.561 1.00 0.00 H new ATOM 603 N PHE A 52 30.731 -23.062 -15.514 1.00 0.00 N ATOM 604 CA PHE A 52 31.362 -22.962 -16.832 1.00 0.00 C ATOM 605 C PHE A 52 32.512 -21.955 -16.827 1.00 0.00 C ATOM 606 O PHE A 52 32.341 -20.772 -16.514 1.00 0.00 O ATOM 607 CB PHE A 52 30.345 -22.575 -17.904 1.00 0.00 C ATOM 608 CG PHE A 52 29.103 -23.439 -17.945 1.00 0.00 C ATOM 609 CD1 PHE A 52 27.999 -23.109 -17.141 1.00 0.00 C ATOM 610 CD2 PHE A 52 29.049 -24.569 -18.781 1.00 0.00 C ATOM 611 CE1 PHE A 52 26.838 -23.900 -17.184 1.00 0.00 C ATOM 612 CE2 PHE A 52 27.888 -25.361 -18.815 1.00 0.00 C ATOM 613 CZ PHE A 52 26.781 -25.026 -18.014 1.00 0.00 C ATOM 0 H PHE A 52 30.586 -22.160 -15.061 1.00 0.00 H new ATOM 0 HA PHE A 52 31.764 -23.947 -17.067 1.00 0.00 H new ATOM 0 HB2 PHE A 52 30.045 -21.540 -17.742 1.00 0.00 H new ATOM 0 HB3 PHE A 52 30.832 -22.617 -18.878 1.00 0.00 H new ATOM 0 HD1 PHE A 52 28.042 -22.248 -16.490 1.00 0.00 H new ATOM 0 HD2 PHE A 52 29.898 -24.828 -19.396 1.00 0.00 H new ATOM 0 HE1 PHE A 52 25.986 -23.638 -16.574 1.00 0.00 H new ATOM 0 HE2 PHE A 52 27.846 -26.228 -19.457 1.00 0.00 H new ATOM 0 HZ PHE A 52 25.890 -25.636 -18.039 1.00 0.00 H new ATOM 623 N TYR A 53 33.690 -22.461 -17.199 1.00 0.00 N ATOM 624 CA TYR A 53 34.957 -21.738 -17.256 1.00 0.00 C ATOM 625 C TYR A 53 35.483 -21.771 -18.701 1.00 0.00 C ATOM 626 O TYR A 53 36.226 -22.689 -19.047 1.00 0.00 O ATOM 627 CB TYR A 53 35.944 -22.349 -16.250 1.00 0.00 C ATOM 628 CG TYR A 53 35.756 -21.850 -14.828 1.00 0.00 C ATOM 629 CD1 TYR A 53 34.569 -22.095 -14.109 1.00 0.00 C ATOM 630 CD2 TYR A 53 36.773 -21.089 -14.231 1.00 0.00 C ATOM 631 CE1 TYR A 53 34.377 -21.535 -12.834 1.00 0.00 C ATOM 632 CE2 TYR A 53 36.603 -20.551 -12.947 1.00 0.00 C ATOM 633 CZ TYR A 53 35.391 -20.742 -12.258 1.00 0.00 C ATOM 634 OH TYR A 53 35.178 -20.124 -11.068 1.00 0.00 O ATOM 0 H TYR A 53 33.788 -23.436 -17.483 1.00 0.00 H new ATOM 0 HA TYR A 53 34.824 -20.693 -16.976 1.00 0.00 H new ATOM 0 HB2 TYR A 53 35.836 -23.434 -16.262 1.00 0.00 H new ATOM 0 HB3 TYR A 53 36.961 -22.126 -16.572 1.00 0.00 H new ATOM 0 HD1 TYR A 53 33.800 -22.718 -14.541 1.00 0.00 H new ATOM 0 HD2 TYR A 53 37.695 -20.916 -14.766 1.00 0.00 H new ATOM 0 HE1 TYR A 53 33.456 -21.711 -12.298 1.00 0.00 H new ATOM 0 HE2 TYR A 53 37.403 -19.990 -12.487 1.00 0.00 H new ATOM 0 HH TYR A 53 35.979 -19.619 -10.814 1.00 0.00 H new ATOM 644 N PRO A 54 35.067 -20.822 -19.565 1.00 0.00 N ATOM 645 CA PRO A 54 35.539 -20.739 -20.949 1.00 0.00 C ATOM 646 C PRO A 54 37.008 -20.293 -21.005 1.00 0.00 C ATOM 647 O PRO A 54 37.579 -19.936 -19.980 1.00 0.00 O ATOM 648 CB PRO A 54 34.604 -19.725 -21.622 1.00 0.00 C ATOM 649 CG PRO A 54 34.204 -18.794 -20.476 1.00 0.00 C ATOM 650 CD PRO A 54 34.157 -19.724 -19.268 1.00 0.00 C ATOM 0 HA PRO A 54 35.512 -21.704 -21.456 1.00 0.00 H new ATOM 0 HB2 PRO A 54 35.108 -19.183 -22.422 1.00 0.00 H new ATOM 0 HB3 PRO A 54 33.736 -20.212 -22.065 1.00 0.00 H new ATOM 0 HG2 PRO A 54 34.929 -17.992 -20.338 1.00 0.00 H new ATOM 0 HG3 PRO A 54 33.238 -18.323 -20.659 1.00 0.00 H new ATOM 0 HD2 PRO A 54 34.461 -19.201 -18.362 1.00 0.00 H new ATOM 0 HD3 PRO A 54 33.145 -20.092 -19.099 1.00 0.00 H new ATOM 658 N GLU A 55 37.614 -20.273 -22.198 1.00 0.00 N ATOM 659 CA GLU A 55 38.970 -19.753 -22.435 1.00 0.00 C ATOM 660 C GLU A 55 39.090 -19.084 -23.810 1.00 0.00 C ATOM 661 O GLU A 55 38.189 -19.173 -24.642 1.00 0.00 O ATOM 662 CB GLU A 55 40.013 -20.878 -22.286 1.00 0.00 C ATOM 663 CG GLU A 55 40.493 -21.046 -20.836 1.00 0.00 C ATOM 664 CD GLU A 55 41.801 -21.835 -20.729 1.00 0.00 C ATOM 665 OE1 GLU A 55 42.022 -22.729 -21.583 1.00 0.00 O ATOM 666 OE2 GLU A 55 42.565 -21.532 -19.783 1.00 0.00 O ATOM 0 H GLU A 55 37.168 -20.625 -23.045 1.00 0.00 H new ATOM 0 HA GLU A 55 39.166 -18.990 -21.682 1.00 0.00 H new ATOM 0 HB2 GLU A 55 39.582 -21.817 -22.634 1.00 0.00 H new ATOM 0 HB3 GLU A 55 40.869 -20.663 -22.926 1.00 0.00 H new ATOM 0 HG2 GLU A 55 40.630 -20.062 -20.388 1.00 0.00 H new ATOM 0 HG3 GLU A 55 39.720 -21.554 -20.259 1.00 0.00 H new ATOM 673 N GLU A 56 40.233 -18.434 -24.054 1.00 0.00 N ATOM 674 CA GLU A 56 40.572 -17.792 -25.324 1.00 0.00 C ATOM 675 C GLU A 56 41.722 -18.550 -25.993 1.00 0.00 C ATOM 676 O GLU A 56 42.836 -18.554 -25.488 1.00 0.00 O ATOM 677 CB GLU A 56 40.863 -16.296 -25.111 1.00 0.00 C ATOM 678 CG GLU A 56 42.003 -15.974 -24.123 1.00 0.00 C ATOM 679 CD GLU A 56 42.013 -14.495 -23.732 1.00 0.00 C ATOM 680 OE1 GLU A 56 40.997 -14.055 -23.149 1.00 0.00 O ATOM 681 OE2 GLU A 56 43.028 -13.820 -24.034 1.00 0.00 O ATOM 0 H GLU A 56 40.967 -18.339 -23.352 1.00 0.00 H new ATOM 0 HA GLU A 56 39.723 -17.838 -26.006 1.00 0.00 H new ATOM 0 HB2 GLU A 56 41.105 -15.850 -26.076 1.00 0.00 H new ATOM 0 HB3 GLU A 56 39.952 -15.814 -24.757 1.00 0.00 H new ATOM 0 HG2 GLU A 56 41.892 -16.586 -23.228 1.00 0.00 H new ATOM 0 HG3 GLU A 56 42.960 -16.238 -24.573 1.00 0.00 H new ATOM 688 N ASP A 57 41.443 -19.251 -27.100 1.00 0.00 N ATOM 689 CA ASP A 57 42.422 -20.028 -27.878 1.00 0.00 C ATOM 690 C ASP A 57 43.219 -21.067 -27.051 1.00 0.00 C ATOM 691 O ASP A 57 44.339 -21.426 -27.411 1.00 0.00 O ATOM 692 CB ASP A 57 43.332 -19.071 -28.676 1.00 0.00 C ATOM 693 CG ASP A 57 42.546 -18.069 -29.527 1.00 0.00 C ATOM 694 OD1 ASP A 57 41.582 -18.508 -30.187 1.00 0.00 O ATOM 695 OD2 ASP A 57 42.923 -16.871 -29.508 1.00 0.00 O ATOM 0 H ASP A 57 40.502 -19.296 -27.492 1.00 0.00 H new ATOM 0 HA ASP A 57 41.857 -20.642 -28.579 1.00 0.00 H new ATOM 0 HB2 ASP A 57 43.974 -18.526 -27.983 1.00 0.00 H new ATOM 0 HB3 ASP A 57 43.986 -19.655 -29.324 1.00 0.00 H new ATOM 700 N GLY A 58 42.659 -21.539 -25.925 1.00 0.00 N ATOM 701 CA GLY A 58 43.359 -22.434 -24.997 1.00 0.00 C ATOM 702 C GLY A 58 44.262 -21.698 -23.992 1.00 0.00 C ATOM 703 O GLY A 58 45.101 -22.334 -23.357 1.00 0.00 O ATOM 0 H GLY A 58 41.708 -21.309 -25.635 1.00 0.00 H new ATOM 0 HA2 GLY A 58 42.623 -23.022 -24.448 1.00 0.00 H new ATOM 0 HA3 GLY A 58 43.965 -23.136 -25.570 1.00 0.00 H new ATOM 707 N LYS A 59 44.129 -20.367 -23.874 1.00 0.00 N ATOM 708 CA LYS A 59 44.919 -19.485 -23.018 1.00 0.00 C ATOM 709 C LYS A 59 44.045 -18.855 -21.930 1.00 0.00 C ATOM 710 O LYS A 59 42.839 -19.095 -21.854 1.00 0.00 O ATOM 711 CB LYS A 59 45.600 -18.382 -23.848 1.00 0.00 C ATOM 712 CG LYS A 59 46.199 -18.821 -25.196 1.00 0.00 C ATOM 713 CD LYS A 59 47.112 -17.717 -25.756 1.00 0.00 C ATOM 714 CE LYS A 59 48.462 -17.710 -25.021 1.00 0.00 C ATOM 715 NZ LYS A 59 49.561 -18.178 -25.890 1.00 0.00 N ATOM 0 H LYS A 59 43.426 -19.854 -24.406 1.00 0.00 H new ATOM 0 HA LYS A 59 45.690 -20.089 -22.540 1.00 0.00 H new ATOM 0 HB2 LYS A 59 44.870 -17.595 -24.037 1.00 0.00 H new ATOM 0 HB3 LYS A 59 46.395 -17.942 -23.246 1.00 0.00 H new ATOM 0 HG2 LYS A 59 46.767 -19.742 -25.067 1.00 0.00 H new ATOM 0 HG3 LYS A 59 45.399 -19.036 -25.905 1.00 0.00 H new ATOM 0 HD2 LYS A 59 47.273 -17.876 -26.822 1.00 0.00 H new ATOM 0 HD3 LYS A 59 46.627 -16.747 -25.648 1.00 0.00 H new ATOM 0 HE2 LYS A 59 48.680 -16.701 -24.670 1.00 0.00 H new ATOM 0 HE3 LYS A 59 48.399 -18.347 -24.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 50.455 -18.159 -25.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 49.365 -19.150 -26.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 49.637 -17.555 -26.719 1.00 0.00 H new ATOM 729 N THR A 60 44.663 -18.034 -21.071 1.00 0.00 N ATOM 730 CA THR A 60 44.056 -17.427 -19.878 1.00 0.00 C ATOM 731 C THR A 60 42.766 -16.646 -20.175 1.00 0.00 C ATOM 732 O THR A 60 42.822 -15.572 -20.772 1.00 0.00 O ATOM 733 CB THR A 60 45.067 -16.532 -19.128 1.00 0.00 C ATOM 734 OG1 THR A 60 45.469 -15.413 -19.893 1.00 0.00 O ATOM 735 CG2 THR A 60 46.332 -17.289 -18.693 1.00 0.00 C ATOM 0 H THR A 60 45.639 -17.763 -21.193 1.00 0.00 H new ATOM 0 HA THR A 60 43.774 -18.261 -19.236 1.00 0.00 H new ATOM 0 HB THR A 60 44.527 -16.198 -18.242 1.00 0.00 H new ATOM 0 HG1 THR A 60 44.712 -15.092 -20.426 1.00 0.00 H new ATOM 0 HG21 THR A 60 47.003 -16.607 -18.171 1.00 0.00 H new ATOM 0 HG22 THR A 60 46.056 -18.106 -18.027 1.00 0.00 H new ATOM 0 HG23 THR A 60 46.835 -17.692 -19.572 1.00 0.00 H new ATOM 743 N LYS A 61 41.621 -17.170 -19.710 1.00 0.00 N ATOM 744 CA LYS A 61 40.298 -16.529 -19.758 1.00 0.00 C ATOM 745 C LYS A 61 40.249 -15.185 -19.024 1.00 0.00 C ATOM 746 O LYS A 61 41.192 -14.822 -18.328 1.00 0.00 O ATOM 747 CB LYS A 61 39.246 -17.499 -19.190 1.00 0.00 C ATOM 748 CG LYS A 61 39.268 -17.691 -17.653 1.00 0.00 C ATOM 749 CD LYS A 61 39.020 -19.157 -17.238 1.00 0.00 C ATOM 750 CE LYS A 61 39.741 -19.484 -15.925 1.00 0.00 C ATOM 751 NZ LYS A 61 40.031 -20.931 -15.824 1.00 0.00 N ATOM 0 H LYS A 61 41.591 -18.091 -19.272 1.00 0.00 H new ATOM 0 HA LYS A 61 40.080 -16.305 -20.802 1.00 0.00 H new ATOM 0 HB2 LYS A 61 38.257 -17.143 -19.479 1.00 0.00 H new ATOM 0 HB3 LYS A 61 39.384 -18.472 -19.661 1.00 0.00 H new ATOM 0 HG2 LYS A 61 40.232 -17.364 -17.263 1.00 0.00 H new ATOM 0 HG3 LYS A 61 38.508 -17.055 -17.199 1.00 0.00 H new ATOM 0 HD2 LYS A 61 37.950 -19.330 -17.123 1.00 0.00 H new ATOM 0 HD3 LYS A 61 39.368 -19.826 -18.025 1.00 0.00 H new ATOM 0 HE2 LYS A 61 40.671 -18.918 -15.866 1.00 0.00 H new ATOM 0 HE3 LYS A 61 39.125 -19.173 -15.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 40.564 -21.118 -14.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 39.138 -21.464 -15.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 40.596 -21.230 -16.645 1.00 0.00 H new ATOM 765 N GLY A 62 39.106 -14.499 -19.138 1.00 0.00 N ATOM 766 CA GLY A 62 38.781 -13.269 -18.410 1.00 0.00 C ATOM 767 C GLY A 62 37.361 -13.199 -17.833 1.00 0.00 C ATOM 768 O GLY A 62 37.058 -12.225 -17.146 1.00 0.00 O ATOM 0 H GLY A 62 38.356 -14.796 -19.762 1.00 0.00 H new ATOM 0 HA2 GLY A 62 39.493 -13.152 -17.593 1.00 0.00 H new ATOM 0 HA3 GLY A 62 38.924 -12.422 -19.081 1.00 0.00 H new ATOM 772 N TYR A 63 36.496 -14.198 -18.074 1.00 0.00 N ATOM 773 CA TYR A 63 35.084 -14.241 -17.662 1.00 0.00 C ATOM 774 C TYR A 63 34.708 -15.698 -17.303 1.00 0.00 C ATOM 775 O TYR A 63 35.327 -16.633 -17.812 1.00 0.00 O ATOM 776 CB TYR A 63 34.246 -13.620 -18.807 1.00 0.00 C ATOM 777 CG TYR A 63 33.155 -14.469 -19.436 1.00 0.00 C ATOM 778 CD1 TYR A 63 31.917 -14.593 -18.774 1.00 0.00 C ATOM 779 CD2 TYR A 63 33.355 -15.116 -20.663 1.00 0.00 C ATOM 780 CE1 TYR A 63 30.884 -15.363 -19.323 1.00 0.00 C ATOM 781 CE2 TYR A 63 32.318 -15.875 -21.241 1.00 0.00 C ATOM 782 CZ TYR A 63 31.087 -16.011 -20.570 1.00 0.00 C ATOM 783 OH TYR A 63 30.092 -16.776 -21.119 1.00 0.00 O ATOM 0 H TYR A 63 36.775 -15.036 -18.585 1.00 0.00 H new ATOM 0 HA TYR A 63 34.884 -13.657 -16.764 1.00 0.00 H new ATOM 0 HB2 TYR A 63 33.782 -12.710 -18.425 1.00 0.00 H new ATOM 0 HB3 TYR A 63 34.933 -13.320 -19.598 1.00 0.00 H new ATOM 0 HD1 TYR A 63 31.763 -14.088 -17.832 1.00 0.00 H new ATOM 0 HD2 TYR A 63 34.307 -15.033 -21.167 1.00 0.00 H new ATOM 0 HE1 TYR A 63 29.943 -15.463 -18.803 1.00 0.00 H new ATOM 0 HE2 TYR A 63 32.467 -16.352 -22.198 1.00 0.00 H new ATOM 0 HH TYR A 63 30.397 -17.145 -21.974 1.00 0.00 H new ATOM 793 N ILE A 64 33.694 -15.897 -16.446 1.00 0.00 N ATOM 794 CA ILE A 64 33.093 -17.206 -16.110 1.00 0.00 C ATOM 795 C ILE A 64 31.554 -17.105 -16.064 1.00 0.00 C ATOM 796 O ILE A 64 30.997 -16.007 -16.022 1.00 0.00 O ATOM 797 CB ILE A 64 33.632 -17.763 -14.763 1.00 0.00 C ATOM 798 CG1 ILE A 64 33.221 -16.913 -13.532 1.00 0.00 C ATOM 799 CG2 ILE A 64 35.150 -18.002 -14.754 1.00 0.00 C ATOM 800 CD1 ILE A 64 32.361 -17.721 -12.557 1.00 0.00 C ATOM 0 H ILE A 64 33.251 -15.125 -15.948 1.00 0.00 H new ATOM 0 HA ILE A 64 33.380 -17.903 -16.898 1.00 0.00 H new ATOM 0 HB ILE A 64 33.145 -18.734 -14.676 1.00 0.00 H new ATOM 0 HG12 ILE A 64 34.114 -16.555 -13.021 1.00 0.00 H new ATOM 0 HG13 ILE A 64 32.669 -16.033 -13.863 1.00 0.00 H new ATOM 0 HG21 ILE A 64 35.451 -18.391 -13.781 1.00 0.00 H new ATOM 0 HG22 ILE A 64 35.409 -18.723 -15.529 1.00 0.00 H new ATOM 0 HG23 ILE A 64 35.667 -17.062 -14.945 1.00 0.00 H new ATOM 0 HD11 ILE A 64 32.091 -17.096 -11.706 1.00 0.00 H new ATOM 0 HD12 ILE A 64 31.456 -18.057 -13.063 1.00 0.00 H new ATOM 0 HD13 ILE A 64 32.923 -18.587 -12.207 1.00 0.00 H new ATOM 812 N PHE A 65 30.868 -18.253 -16.003 1.00 0.00 N ATOM 813 CA PHE A 65 29.411 -18.352 -15.982 1.00 0.00 C ATOM 814 C PHE A 65 28.969 -19.423 -14.973 1.00 0.00 C ATOM 815 O PHE A 65 29.516 -20.528 -14.939 1.00 0.00 O ATOM 816 CB PHE A 65 28.956 -18.649 -17.420 1.00 0.00 C ATOM 817 CG PHE A 65 27.478 -18.936 -17.609 1.00 0.00 C ATOM 818 CD1 PHE A 65 26.516 -18.011 -17.170 1.00 0.00 C ATOM 819 CD2 PHE A 65 27.064 -20.104 -18.273 1.00 0.00 C ATOM 820 CE1 PHE A 65 25.153 -18.245 -17.419 1.00 0.00 C ATOM 821 CE2 PHE A 65 25.697 -20.344 -18.502 1.00 0.00 C ATOM 822 CZ PHE A 65 24.739 -19.409 -18.088 1.00 0.00 C ATOM 0 H PHE A 65 31.328 -19.162 -15.966 1.00 0.00 H new ATOM 0 HA PHE A 65 28.944 -17.424 -15.651 1.00 0.00 H new ATOM 0 HB2 PHE A 65 29.223 -17.798 -18.046 1.00 0.00 H new ATOM 0 HB3 PHE A 65 29.521 -19.505 -17.788 1.00 0.00 H new ATOM 0 HD1 PHE A 65 26.824 -17.121 -16.642 1.00 0.00 H new ATOM 0 HD2 PHE A 65 27.799 -20.820 -18.609 1.00 0.00 H new ATOM 0 HE1 PHE A 65 24.418 -17.524 -17.093 1.00 0.00 H new ATOM 0 HE2 PHE A 65 25.385 -21.251 -18.998 1.00 0.00 H new ATOM 0 HZ PHE A 65 23.691 -19.582 -18.282 1.00 0.00 H new ATOM 832 N LEU A 66 27.985 -19.080 -14.127 1.00 0.00 N ATOM 833 CA LEU A 66 27.409 -19.960 -13.103 1.00 0.00 C ATOM 834 C LEU A 66 25.882 -19.842 -13.085 1.00 0.00 C ATOM 835 O LEU A 66 25.325 -18.760 -13.286 1.00 0.00 O ATOM 836 CB LEU A 66 27.954 -19.569 -11.713 1.00 0.00 C ATOM 837 CG LEU A 66 29.456 -19.830 -11.495 1.00 0.00 C ATOM 838 CD1 LEU A 66 29.976 -18.965 -10.341 1.00 0.00 C ATOM 839 CD2 LEU A 66 29.748 -21.296 -11.169 1.00 0.00 C ATOM 0 H LEU A 66 27.557 -18.154 -14.139 1.00 0.00 H new ATOM 0 HA LEU A 66 27.687 -20.987 -13.340 1.00 0.00 H new ATOM 0 HB2 LEU A 66 27.759 -18.509 -11.550 1.00 0.00 H new ATOM 0 HB3 LEU A 66 27.394 -20.116 -10.955 1.00 0.00 H new ATOM 0 HG LEU A 66 29.960 -19.576 -12.428 1.00 0.00 H new ATOM 0 HD11 LEU A 66 31.039 -19.156 -10.194 1.00 0.00 H new ATOM 0 HD12 LEU A 66 29.826 -17.912 -10.579 1.00 0.00 H new ATOM 0 HD13 LEU A 66 29.433 -19.211 -9.428 1.00 0.00 H new ATOM 0 HD21 LEU A 66 30.820 -21.430 -11.024 1.00 0.00 H new ATOM 0 HD22 LEU A 66 29.220 -21.578 -10.258 1.00 0.00 H new ATOM 0 HD23 LEU A 66 29.412 -21.926 -11.993 1.00 0.00 H new ATOM 851 N GLU A 67 25.209 -20.952 -12.769 1.00 0.00 N ATOM 852 CA GLU A 67 23.747 -21.037 -12.702 1.00 0.00 C ATOM 853 C GLU A 67 23.325 -21.729 -11.401 1.00 0.00 C ATOM 854 O GLU A 67 23.735 -22.861 -11.115 1.00 0.00 O ATOM 855 CB GLU A 67 23.149 -21.765 -13.922 1.00 0.00 C ATOM 856 CG GLU A 67 23.878 -21.508 -15.250 1.00 0.00 C ATOM 857 CD GLU A 67 23.111 -22.079 -16.444 1.00 0.00 C ATOM 858 OE1 GLU A 67 21.929 -21.714 -16.619 1.00 0.00 O ATOM 859 OE2 GLU A 67 23.733 -22.863 -17.197 1.00 0.00 O ATOM 0 H GLU A 67 25.673 -21.833 -12.548 1.00 0.00 H new ATOM 0 HA GLU A 67 23.355 -20.020 -12.716 1.00 0.00 H new ATOM 0 HB2 GLU A 67 23.152 -22.837 -13.724 1.00 0.00 H new ATOM 0 HB3 GLU A 67 22.107 -21.464 -14.032 1.00 0.00 H new ATOM 0 HG2 GLU A 67 24.015 -20.435 -15.387 1.00 0.00 H new ATOM 0 HG3 GLU A 67 24.872 -21.954 -15.210 1.00 0.00 H new ATOM 866 N TYR A 68 22.520 -21.031 -10.599 1.00 0.00 N ATOM 867 CA TYR A 68 21.943 -21.583 -9.378 1.00 0.00 C ATOM 868 C TYR A 68 20.677 -22.389 -9.678 1.00 0.00 C ATOM 869 O TYR A 68 20.115 -22.334 -10.769 1.00 0.00 O ATOM 870 CB TYR A 68 21.604 -20.451 -8.406 1.00 0.00 C ATOM 871 CG TYR A 68 22.817 -19.708 -7.908 1.00 0.00 C ATOM 872 CD1 TYR A 68 23.285 -18.589 -8.623 1.00 0.00 C ATOM 873 CD2 TYR A 68 23.481 -20.113 -6.739 1.00 0.00 C ATOM 874 CE1 TYR A 68 24.406 -17.884 -8.183 1.00 0.00 C ATOM 875 CE2 TYR A 68 24.587 -19.383 -6.275 1.00 0.00 C ATOM 876 CZ TYR A 68 25.059 -18.287 -7.007 1.00 0.00 C ATOM 877 OH TYR A 68 26.153 -17.612 -6.585 1.00 0.00 O ATOM 0 H TYR A 68 22.250 -20.064 -10.781 1.00 0.00 H new ATOM 0 HA TYR A 68 22.679 -22.250 -8.930 1.00 0.00 H new ATOM 0 HB2 TYR A 68 20.933 -19.748 -8.899 1.00 0.00 H new ATOM 0 HB3 TYR A 68 21.064 -20.863 -7.554 1.00 0.00 H new ATOM 0 HD1 TYR A 68 22.772 -18.274 -9.520 1.00 0.00 H new ATOM 0 HD2 TYR A 68 23.142 -20.984 -6.198 1.00 0.00 H new ATOM 0 HE1 TYR A 68 24.769 -17.035 -8.743 1.00 0.00 H new ATOM 0 HE2 TYR A 68 25.074 -19.667 -5.354 1.00 0.00 H new ATOM 0 HH TYR A 68 26.053 -17.388 -5.636 1.00 0.00 H new ATOM 887 N ALA A 69 20.182 -23.090 -8.657 1.00 0.00 N ATOM 888 CA ALA A 69 18.914 -23.813 -8.708 1.00 0.00 C ATOM 889 C ALA A 69 17.666 -22.898 -8.652 1.00 0.00 C ATOM 890 O ALA A 69 16.550 -23.405 -8.729 1.00 0.00 O ATOM 891 CB ALA A 69 18.919 -24.830 -7.562 1.00 0.00 C ATOM 0 H ALA A 69 20.659 -23.172 -7.759 1.00 0.00 H new ATOM 0 HA ALA A 69 18.837 -24.311 -9.674 1.00 0.00 H new ATOM 0 HB1 ALA A 69 17.984 -25.390 -7.569 1.00 0.00 H new ATOM 0 HB2 ALA A 69 19.755 -25.518 -7.689 1.00 0.00 H new ATOM 0 HB3 ALA A 69 19.021 -24.307 -6.611 1.00 0.00 H new ATOM 897 N SER A 70 17.822 -21.574 -8.493 1.00 0.00 N ATOM 898 CA SER A 70 16.709 -20.626 -8.337 1.00 0.00 C ATOM 899 C SER A 70 17.113 -19.170 -8.633 1.00 0.00 C ATOM 900 O SER A 70 18.283 -18.805 -8.467 1.00 0.00 O ATOM 901 CB SER A 70 16.117 -20.719 -6.918 1.00 0.00 C ATOM 902 OG SER A 70 17.075 -21.046 -5.930 1.00 0.00 O ATOM 0 H SER A 70 18.738 -21.126 -8.469 1.00 0.00 H new ATOM 0 HA SER A 70 15.958 -20.910 -9.074 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.653 -19.766 -6.663 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.327 -21.470 -6.910 1.00 0.00 H new ATOM 0 HG SER A 70 16.639 -21.088 -5.053 1.00 0.00 H new ATOM 908 N PRO A 71 16.145 -18.298 -9.007 1.00 0.00 N ATOM 909 CA PRO A 71 16.409 -16.898 -9.344 1.00 0.00 C ATOM 910 C PRO A 71 16.900 -16.109 -8.130 1.00 0.00 C ATOM 911 O PRO A 71 17.916 -15.426 -8.216 1.00 0.00 O ATOM 912 CB PRO A 71 15.092 -16.342 -9.902 1.00 0.00 C ATOM 913 CG PRO A 71 14.023 -17.224 -9.253 1.00 0.00 C ATOM 914 CD PRO A 71 14.718 -18.580 -9.147 1.00 0.00 C ATOM 0 HA PRO A 71 17.208 -16.811 -10.080 1.00 0.00 H new ATOM 0 HB2 PRO A 71 14.958 -15.292 -9.641 1.00 0.00 H new ATOM 0 HB3 PRO A 71 15.059 -16.407 -10.990 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.725 -16.845 -8.275 1.00 0.00 H new ATOM 0 HG3 PRO A 71 13.120 -17.279 -9.862 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.346 -19.142 -8.290 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.526 -19.186 -10.033 1.00 0.00 H new ATOM 922 N ALA A 72 16.237 -16.287 -6.981 1.00 0.00 N ATOM 923 CA ALA A 72 16.564 -15.683 -5.691 1.00 0.00 C ATOM 924 C ALA A 72 18.004 -15.954 -5.219 1.00 0.00 C ATOM 925 O ALA A 72 18.464 -15.257 -4.322 1.00 0.00 O ATOM 926 CB ALA A 72 15.562 -16.201 -4.656 1.00 0.00 C ATOM 0 H ALA A 72 15.415 -16.889 -6.927 1.00 0.00 H new ATOM 0 HA ALA A 72 16.497 -14.601 -5.808 1.00 0.00 H new ATOM 0 HB1 ALA A 72 15.785 -15.764 -3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.552 -15.922 -4.956 1.00 0.00 H new ATOM 0 HB3 ALA A 72 15.634 -17.287 -4.591 1.00 0.00 H new ATOM 932 N HIS A 73 18.723 -16.925 -5.801 1.00 0.00 N ATOM 933 CA HIS A 73 20.138 -17.175 -5.500 1.00 0.00 C ATOM 934 C HIS A 73 21.045 -16.369 -6.437 1.00 0.00 C ATOM 935 O HIS A 73 21.958 -15.696 -5.969 1.00 0.00 O ATOM 936 CB HIS A 73 20.438 -18.678 -5.586 1.00 0.00 C ATOM 937 CG HIS A 73 19.744 -19.537 -4.559 1.00 0.00 C ATOM 938 ND1 HIS A 73 18.796 -19.128 -3.648 1.00 0.00 N ATOM 939 CD2 HIS A 73 19.962 -20.879 -4.375 1.00 0.00 C ATOM 940 CE1 HIS A 73 18.433 -20.201 -2.920 1.00 0.00 C ATOM 941 NE2 HIS A 73 19.131 -21.271 -3.346 1.00 0.00 N ATOM 0 H HIS A 73 18.336 -17.562 -6.497 1.00 0.00 H new ATOM 0 HA HIS A 73 20.344 -16.845 -4.482 1.00 0.00 H new ATOM 0 HB2 HIS A 73 20.158 -19.031 -6.579 1.00 0.00 H new ATOM 0 HB3 HIS A 73 21.514 -18.822 -5.488 1.00 0.00 H new ATOM 0 HD2 HIS A 73 20.648 -21.505 -4.926 1.00 0.00 H new ATOM 0 HE1 HIS A 73 17.702 -20.203 -2.125 1.00 0.00 H new ATOM 0 HE2 HIS A 73 19.057 -22.216 -2.970 1.00 0.00 H new ATOM 950 N ALA A 74 20.758 -16.386 -7.744 1.00 0.00 N ATOM 951 CA ALA A 74 21.443 -15.574 -8.750 1.00 0.00 C ATOM 952 C ALA A 74 21.305 -14.070 -8.482 1.00 0.00 C ATOM 953 O ALA A 74 22.317 -13.381 -8.335 1.00 0.00 O ATOM 954 CB ALA A 74 20.910 -15.934 -10.145 1.00 0.00 C ATOM 0 H ALA A 74 20.027 -16.978 -8.138 1.00 0.00 H new ATOM 0 HA ALA A 74 22.508 -15.799 -8.696 1.00 0.00 H new ATOM 0 HB1 ALA A 74 21.419 -15.330 -10.896 1.00 0.00 H new ATOM 0 HB2 ALA A 74 21.093 -16.990 -10.343 1.00 0.00 H new ATOM 0 HB3 ALA A 74 19.839 -15.738 -10.187 1.00 0.00 H new ATOM 960 N VAL A 75 20.065 -13.572 -8.399 1.00 0.00 N ATOM 961 CA VAL A 75 19.802 -12.140 -8.211 1.00 0.00 C ATOM 962 C VAL A 75 20.380 -11.617 -6.893 1.00 0.00 C ATOM 963 O VAL A 75 20.768 -10.457 -6.812 1.00 0.00 O ATOM 964 CB VAL A 75 18.302 -11.806 -8.350 1.00 0.00 C ATOM 965 CG1 VAL A 75 17.701 -12.364 -9.655 1.00 0.00 C ATOM 966 CG2 VAL A 75 17.475 -12.293 -7.147 1.00 0.00 C ATOM 0 H VAL A 75 19.223 -14.144 -8.460 1.00 0.00 H new ATOM 0 HA VAL A 75 20.322 -11.618 -9.015 1.00 0.00 H new ATOM 0 HB VAL A 75 18.248 -10.718 -8.381 1.00 0.00 H new ATOM 0 HG11 VAL A 75 16.644 -12.104 -9.709 1.00 0.00 H new ATOM 0 HG12 VAL A 75 18.224 -11.935 -10.509 1.00 0.00 H new ATOM 0 HG13 VAL A 75 17.809 -13.448 -9.671 1.00 0.00 H new ATOM 0 HG21 VAL A 75 16.427 -12.032 -7.296 1.00 0.00 H new ATOM 0 HG22 VAL A 75 17.570 -13.375 -7.054 1.00 0.00 H new ATOM 0 HG23 VAL A 75 17.841 -11.817 -6.237 1.00 0.00 H new ATOM 976 N ASP A 76 20.487 -12.485 -5.882 1.00 0.00 N ATOM 977 CA ASP A 76 21.130 -12.192 -4.610 1.00 0.00 C ATOM 978 C ASP A 76 22.653 -12.179 -4.765 1.00 0.00 C ATOM 979 O ASP A 76 23.267 -11.164 -4.445 1.00 0.00 O ATOM 980 CB ASP A 76 20.685 -13.219 -3.569 1.00 0.00 C ATOM 981 CG ASP A 76 21.377 -12.992 -2.228 1.00 0.00 C ATOM 982 OD1 ASP A 76 20.968 -12.054 -1.506 1.00 0.00 O ATOM 983 OD2 ASP A 76 22.352 -13.734 -1.975 1.00 0.00 O ATOM 0 H ASP A 76 20.117 -13.434 -5.933 1.00 0.00 H new ATOM 0 HA ASP A 76 20.830 -11.200 -4.272 1.00 0.00 H new ATOM 0 HB2 ASP A 76 19.605 -13.160 -3.437 1.00 0.00 H new ATOM 0 HB3 ASP A 76 20.908 -14.223 -3.929 1.00 0.00 H new ATOM 988 N ALA A 77 23.265 -13.263 -5.258 1.00 0.00 N ATOM 989 CA ALA A 77 24.717 -13.401 -5.385 1.00 0.00 C ATOM 990 C ALA A 77 25.370 -12.219 -6.120 1.00 0.00 C ATOM 991 O ALA A 77 26.396 -11.705 -5.667 1.00 0.00 O ATOM 992 CB ALA A 77 24.987 -14.724 -6.102 1.00 0.00 C ATOM 0 H ALA A 77 22.753 -14.083 -5.585 1.00 0.00 H new ATOM 0 HA ALA A 77 25.167 -13.398 -4.392 1.00 0.00 H new ATOM 0 HB1 ALA A 77 26.062 -14.863 -6.216 1.00 0.00 H new ATOM 0 HB2 ALA A 77 24.575 -15.546 -5.517 1.00 0.00 H new ATOM 0 HB3 ALA A 77 24.517 -14.707 -7.085 1.00 0.00 H new ATOM 998 N VAL A 78 24.743 -11.734 -7.199 1.00 0.00 N ATOM 999 CA VAL A 78 25.178 -10.536 -7.935 1.00 0.00 C ATOM 1000 C VAL A 78 25.242 -9.282 -7.060 1.00 0.00 C ATOM 1001 O VAL A 78 26.173 -8.494 -7.189 1.00 0.00 O ATOM 1002 CB VAL A 78 24.251 -10.296 -9.139 1.00 0.00 C ATOM 1003 CG1 VAL A 78 24.524 -8.966 -9.849 1.00 0.00 C ATOM 1004 CG2 VAL A 78 24.389 -11.443 -10.145 1.00 0.00 C ATOM 0 H VAL A 78 23.908 -12.167 -7.592 1.00 0.00 H new ATOM 0 HA VAL A 78 26.195 -10.728 -8.278 1.00 0.00 H new ATOM 0 HB VAL A 78 23.235 -10.253 -8.745 1.00 0.00 H new ATOM 0 HG11 VAL A 78 23.839 -8.855 -10.689 1.00 0.00 H new ATOM 0 HG12 VAL A 78 24.377 -8.143 -9.149 1.00 0.00 H new ATOM 0 HG13 VAL A 78 25.551 -8.953 -10.214 1.00 0.00 H new ATOM 0 HG21 VAL A 78 23.729 -11.264 -10.994 1.00 0.00 H new ATOM 0 HG22 VAL A 78 25.420 -11.500 -10.493 1.00 0.00 H new ATOM 0 HG23 VAL A 78 24.116 -12.383 -9.665 1.00 0.00 H new ATOM 1014 N LYS A 79 24.275 -9.106 -6.154 1.00 0.00 N ATOM 1015 CA LYS A 79 24.199 -7.984 -5.206 1.00 0.00 C ATOM 1016 C LYS A 79 24.950 -8.248 -3.885 1.00 0.00 C ATOM 1017 O LYS A 79 24.917 -7.394 -3.004 1.00 0.00 O ATOM 1018 CB LYS A 79 22.718 -7.627 -4.957 1.00 0.00 C ATOM 1019 CG LYS A 79 22.123 -6.711 -6.047 1.00 0.00 C ATOM 1020 CD LYS A 79 21.023 -7.389 -6.872 1.00 0.00 C ATOM 1021 CE LYS A 79 20.193 -6.338 -7.614 1.00 0.00 C ATOM 1022 NZ LYS A 79 19.033 -6.950 -8.294 1.00 0.00 N ATOM 0 H LYS A 79 23.498 -9.760 -6.055 1.00 0.00 H new ATOM 0 HA LYS A 79 24.709 -7.133 -5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 79 22.133 -8.545 -4.904 1.00 0.00 H new ATOM 0 HB3 LYS A 79 22.627 -7.135 -3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 79 21.716 -5.815 -5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 79 22.921 -6.386 -6.715 1.00 0.00 H new ATOM 0 HD2 LYS A 79 21.469 -8.081 -7.586 1.00 0.00 H new ATOM 0 HD3 LYS A 79 20.378 -7.977 -6.218 1.00 0.00 H new ATOM 0 HE2 LYS A 79 19.847 -5.582 -6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 79 20.819 -5.828 -8.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.491 -6.212 -8.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.366 -7.654 -8.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.424 -7.415 -7.591 1.00 0.00 H new ATOM 1036 N ASN A 80 25.641 -9.385 -3.746 1.00 0.00 N ATOM 1037 CA ASN A 80 26.402 -9.733 -2.542 1.00 0.00 C ATOM 1038 C ASN A 80 27.896 -9.961 -2.797 1.00 0.00 C ATOM 1039 O ASN A 80 28.690 -9.679 -1.911 1.00 0.00 O ATOM 1040 CB ASN A 80 25.812 -10.992 -1.899 1.00 0.00 C ATOM 1041 CG ASN A 80 24.541 -10.753 -1.114 1.00 0.00 C ATOM 1042 OD1 ASN A 80 24.531 -10.752 0.107 1.00 0.00 O ATOM 1043 ND2 ASN A 80 23.433 -10.594 -1.786 1.00 0.00 N ATOM 0 H ASN A 80 25.688 -10.097 -4.475 1.00 0.00 H new ATOM 0 HA ASN A 80 26.319 -8.874 -1.877 1.00 0.00 H new ATOM 0 HB2 ASN A 80 25.610 -11.724 -2.681 1.00 0.00 H new ATOM 0 HB3 ASN A 80 26.558 -11.431 -1.236 1.00 0.00 H new ATOM 0 HD21 ASN A 80 22.550 -10.468 -1.291 1.00 0.00 H new ATOM 0 HD22 ASN A 80 23.450 -10.596 -2.806 1.00 0.00 H new ATOM 1050 N ALA A 81 28.290 -10.449 -3.977 1.00 0.00 N ATOM 1051 CA ALA A 81 29.692 -10.693 -4.313 1.00 0.00 C ATOM 1052 C ALA A 81 30.238 -9.714 -5.372 1.00 0.00 C ATOM 1053 O ALA A 81 31.228 -10.010 -6.041 1.00 0.00 O ATOM 1054 CB ALA A 81 29.852 -12.151 -4.735 1.00 0.00 C ATOM 0 H ALA A 81 27.641 -10.686 -4.728 1.00 0.00 H new ATOM 0 HA ALA A 81 30.297 -10.507 -3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 81 30.894 -12.344 -4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 81 29.551 -12.802 -3.915 1.00 0.00 H new ATOM 0 HB3 ALA A 81 29.225 -12.349 -5.604 1.00 0.00 H new ATOM 1060 N ASP A 82 29.592 -8.554 -5.532 1.00 0.00 N ATOM 1061 CA ASP A 82 29.970 -7.485 -6.457 1.00 0.00 C ATOM 1062 C ASP A 82 31.402 -6.967 -6.228 1.00 0.00 C ATOM 1063 O ASP A 82 31.618 -5.975 -5.535 1.00 0.00 O ATOM 1064 CB ASP A 82 28.938 -6.350 -6.388 1.00 0.00 C ATOM 1065 CG ASP A 82 29.277 -5.213 -7.367 1.00 0.00 C ATOM 1066 OD1 ASP A 82 29.884 -5.498 -8.424 1.00 0.00 O ATOM 1067 OD2 ASP A 82 28.905 -4.054 -7.043 1.00 0.00 O ATOM 0 H ASP A 82 28.755 -8.327 -4.996 1.00 0.00 H new ATOM 0 HA ASP A 82 29.971 -7.905 -7.463 1.00 0.00 H new ATOM 0 HB2 ASP A 82 27.948 -6.744 -6.617 1.00 0.00 H new ATOM 0 HB3 ASP A 82 28.898 -5.956 -5.373 1.00 0.00 H new ATOM 1072 N GLY A 83 32.382 -7.640 -6.840 1.00 0.00 N ATOM 1073 CA GLY A 83 33.780 -7.220 -6.861 1.00 0.00 C ATOM 1074 C GLY A 83 34.637 -7.916 -5.802 1.00 0.00 C ATOM 1075 O GLY A 83 34.949 -7.337 -4.765 1.00 0.00 O ATOM 0 H GLY A 83 32.218 -8.511 -7.345 1.00 0.00 H new ATOM 0 HA2 GLY A 83 34.198 -7.422 -7.847 1.00 0.00 H new ATOM 0 HA3 GLY A 83 33.831 -6.142 -6.708 1.00 0.00 H new ATOM 1079 N TYR A 84 35.044 -9.158 -6.073 1.00 0.00 N ATOM 1080 CA TYR A 84 35.816 -10.002 -5.160 1.00 0.00 C ATOM 1081 C TYR A 84 37.149 -9.355 -4.724 1.00 0.00 C ATOM 1082 O TYR A 84 37.981 -8.943 -5.539 1.00 0.00 O ATOM 1083 CB TYR A 84 36.101 -11.349 -5.815 1.00 0.00 C ATOM 1084 CG TYR A 84 34.962 -11.972 -6.601 1.00 0.00 C ATOM 1085 CD1 TYR A 84 33.808 -12.453 -5.960 1.00 0.00 C ATOM 1086 CD2 TYR A 84 35.113 -12.185 -7.986 1.00 0.00 C ATOM 1087 CE1 TYR A 84 32.894 -13.257 -6.652 1.00 0.00 C ATOM 1088 CE2 TYR A 84 34.179 -12.946 -8.702 1.00 0.00 C ATOM 1089 CZ TYR A 84 33.092 -13.518 -8.011 1.00 0.00 C ATOM 1090 OH TYR A 84 32.229 -14.353 -8.641 1.00 0.00 O ATOM 0 H TYR A 84 34.839 -9.617 -6.960 1.00 0.00 H new ATOM 0 HA TYR A 84 35.209 -10.132 -4.264 1.00 0.00 H new ATOM 0 HB2 TYR A 84 36.953 -11.230 -6.484 1.00 0.00 H new ATOM 0 HB3 TYR A 84 36.403 -12.050 -5.037 1.00 0.00 H new ATOM 0 HD1 TYR A 84 33.625 -12.201 -4.926 1.00 0.00 H new ATOM 0 HD2 TYR A 84 35.959 -11.756 -8.502 1.00 0.00 H new ATOM 0 HE1 TYR A 84 32.040 -13.673 -6.138 1.00 0.00 H new ATOM 0 HE2 TYR A 84 34.290 -13.092 -9.766 1.00 0.00 H new ATOM 0 HH TYR A 84 31.633 -14.766 -7.982 1.00 0.00 H new ATOM 1100 N LYS A 85 37.413 -9.298 -3.413 1.00 0.00 N ATOM 1101 CA LYS A 85 38.603 -8.645 -2.831 1.00 0.00 C ATOM 1102 C LYS A 85 39.902 -9.472 -2.889 1.00 0.00 C ATOM 1103 O LYS A 85 40.564 -9.635 -1.875 1.00 0.00 O ATOM 1104 CB LYS A 85 38.257 -8.157 -1.414 1.00 0.00 C ATOM 1105 CG LYS A 85 37.827 -9.287 -0.467 1.00 0.00 C ATOM 1106 CD LYS A 85 36.326 -9.286 -0.168 1.00 0.00 C ATOM 1107 CE LYS A 85 35.805 -8.042 0.565 1.00 0.00 C ATOM 1108 NZ LYS A 85 36.577 -7.756 1.787 1.00 0.00 N ATOM 0 H LYS A 85 36.798 -9.710 -2.711 1.00 0.00 H new ATOM 0 HA LYS A 85 38.845 -7.791 -3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 85 39.124 -7.649 -0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 85 37.455 -7.421 -1.477 1.00 0.00 H new ATOM 0 HG2 LYS A 85 38.102 -10.245 -0.907 1.00 0.00 H new ATOM 0 HG3 LYS A 85 38.377 -9.196 0.469 1.00 0.00 H new ATOM 0 HD2 LYS A 85 35.785 -9.387 -1.109 1.00 0.00 H new ATOM 0 HD3 LYS A 85 36.091 -10.166 0.431 1.00 0.00 H new ATOM 0 HE2 LYS A 85 35.852 -7.182 -0.103 1.00 0.00 H new ATOM 0 HE3 LYS A 85 34.756 -8.187 0.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 36.131 -6.972 2.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 36.597 -8.602 2.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 37.549 -7.492 1.529 1.00 0.00 H new ATOM 1224 N PHE A 92 36.916 -7.058 -9.597 1.00 0.00 N ATOM 1225 CA PHE A 92 36.031 -7.788 -10.509 1.00 0.00 C ATOM 1226 C PHE A 92 34.673 -7.094 -10.617 1.00 0.00 C ATOM 1227 O PHE A 92 34.390 -6.152 -9.879 1.00 0.00 O ATOM 1228 CB PHE A 92 35.844 -9.228 -10.019 1.00 0.00 C ATOM 1229 CG PHE A 92 37.145 -9.940 -9.731 1.00 0.00 C ATOM 1230 CD1 PHE A 92 37.813 -9.680 -8.529 1.00 0.00 C ATOM 1231 CD2 PHE A 92 37.687 -10.857 -10.647 1.00 0.00 C ATOM 1232 CE1 PHE A 92 39.042 -10.298 -8.248 1.00 0.00 C ATOM 1233 CE2 PHE A 92 38.905 -11.492 -10.354 1.00 0.00 C ATOM 1234 CZ PHE A 92 39.588 -11.200 -9.163 1.00 0.00 C ATOM 0 HA PHE A 92 36.492 -7.802 -11.497 1.00 0.00 H new ATOM 0 HB2 PHE A 92 35.236 -9.220 -9.115 1.00 0.00 H new ATOM 0 HB3 PHE A 92 35.290 -9.790 -10.771 1.00 0.00 H new ATOM 0 HD1 PHE A 92 37.380 -8.999 -7.812 1.00 0.00 H new ATOM 0 HD2 PHE A 92 37.170 -11.072 -11.571 1.00 0.00 H new ATOM 0 HE1 PHE A 92 39.563 -10.077 -7.328 1.00 0.00 H new ATOM 0 HE2 PHE A 92 39.318 -12.209 -11.049 1.00 0.00 H new ATOM 0 HZ PHE A 92 40.536 -11.673 -8.954 1.00 0.00 H new ATOM 1244 N ARG A 93 33.821 -7.585 -11.523 1.00 0.00 N ATOM 1245 CA ARG A 93 32.483 -7.026 -11.783 1.00 0.00 C ATOM 1246 C ARG A 93 31.449 -8.146 -11.934 1.00 0.00 C ATOM 1247 O ARG A 93 31.188 -8.607 -13.046 1.00 0.00 O ATOM 1248 CB ARG A 93 32.529 -6.090 -13.014 1.00 0.00 C ATOM 1249 CG ARG A 93 33.534 -4.929 -12.903 1.00 0.00 C ATOM 1250 CD ARG A 93 33.177 -3.917 -11.807 1.00 0.00 C ATOM 1251 NE ARG A 93 34.347 -3.103 -11.451 1.00 0.00 N ATOM 1252 CZ ARG A 93 34.344 -2.015 -10.692 1.00 0.00 C ATOM 1253 NH1 ARG A 93 33.233 -1.486 -10.227 1.00 0.00 N ATOM 1254 NH2 ARG A 93 35.478 -1.425 -10.386 1.00 0.00 N ATOM 0 H ARG A 93 34.041 -8.393 -12.106 1.00 0.00 H new ATOM 0 HA ARG A 93 32.170 -6.425 -10.929 1.00 0.00 H new ATOM 0 HB2 ARG A 93 32.775 -6.683 -13.895 1.00 0.00 H new ATOM 0 HB3 ARG A 93 31.534 -5.677 -13.176 1.00 0.00 H new ATOM 0 HG2 ARG A 93 34.526 -5.335 -12.704 1.00 0.00 H new ATOM 0 HG3 ARG A 93 33.588 -4.412 -13.861 1.00 0.00 H new ATOM 0 HD2 ARG A 93 32.369 -3.271 -12.151 1.00 0.00 H new ATOM 0 HD3 ARG A 93 32.811 -4.443 -10.925 1.00 0.00 H new ATOM 0 HE ARG A 93 35.248 -3.403 -11.823 1.00 0.00 H new ATOM 0 HH11 ARG A 93 32.333 -1.913 -10.447 1.00 0.00 H new ATOM 0 HH12 ARG A 93 33.271 -0.648 -9.646 1.00 0.00 H new ATOM 0 HH21 ARG A 93 36.360 -1.804 -10.732 1.00 0.00 H new ATOM 0 HH22 ARG A 93 35.476 -0.588 -9.802 1.00 0.00 H new ATOM 1268 N VAL A 94 30.870 -8.596 -10.815 1.00 0.00 N ATOM 1269 CA VAL A 94 29.816 -9.625 -10.811 1.00 0.00 C ATOM 1270 C VAL A 94 28.492 -8.973 -11.193 1.00 0.00 C ATOM 1271 O VAL A 94 28.023 -8.066 -10.514 1.00 0.00 O ATOM 1272 CB VAL A 94 29.682 -10.357 -9.462 1.00 0.00 C ATOM 1273 CG1 VAL A 94 28.654 -11.499 -9.577 1.00 0.00 C ATOM 1274 CG2 VAL A 94 31.020 -10.976 -9.046 1.00 0.00 C ATOM 0 H VAL A 94 31.117 -8.259 -9.885 1.00 0.00 H new ATOM 0 HA VAL A 94 30.097 -10.386 -11.539 1.00 0.00 H new ATOM 0 HB VAL A 94 29.362 -9.625 -8.721 1.00 0.00 H new ATOM 0 HG11 VAL A 94 28.568 -12.009 -8.618 1.00 0.00 H new ATOM 0 HG12 VAL A 94 27.684 -11.089 -9.858 1.00 0.00 H new ATOM 0 HG13 VAL A 94 28.982 -12.208 -10.337 1.00 0.00 H new ATOM 0 HG21 VAL A 94 30.903 -11.488 -8.091 1.00 0.00 H new ATOM 0 HG22 VAL A 94 31.341 -11.691 -9.804 1.00 0.00 H new ATOM 0 HG23 VAL A 94 31.769 -10.190 -8.947 1.00 0.00 H new ATOM 1284 N ASN A 95 27.913 -9.430 -12.298 1.00 0.00 N ATOM 1285 CA ASN A 95 26.668 -8.936 -12.872 1.00 0.00 C ATOM 1286 C ASN A 95 25.808 -10.115 -13.357 1.00 0.00 C ATOM 1287 O ASN A 95 26.230 -11.271 -13.324 1.00 0.00 O ATOM 1288 CB ASN A 95 27.003 -7.930 -13.986 1.00 0.00 C ATOM 1289 CG ASN A 95 27.605 -6.647 -13.434 1.00 0.00 C ATOM 1290 OD1 ASN A 95 26.909 -5.719 -13.051 1.00 0.00 O ATOM 1291 ND2 ASN A 95 28.916 -6.560 -13.357 1.00 0.00 N ATOM 0 H ASN A 95 28.319 -10.191 -12.843 1.00 0.00 H new ATOM 0 HA ASN A 95 26.073 -8.413 -12.123 1.00 0.00 H new ATOM 0 HB2 ASN A 95 27.702 -8.386 -14.688 1.00 0.00 H new ATOM 0 HB3 ASN A 95 26.098 -7.694 -14.546 1.00 0.00 H new ATOM 0 HD21 ASN A 95 29.350 -5.718 -12.978 1.00 0.00 H new ATOM 0 HD22 ASN A 95 29.498 -7.334 -13.676 1.00 0.00 H new