USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 725 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 3 HIS : no HD1:sc= 0 X(o=0.94,f=0.86) USER MOD Set 1.2: A 67 SER OG : rot 4:sc= 0.278 USER MOD Set 1.3: A 70 THR OG1 : rot 36:sc= 0.658 USER MOD Set 2.1: A 37 THR OG1 : rot -44:sc= 0.924 USER MOD Set 2.2: A 74 GLN : amide:sc= 0.33 K(o=1.3,f=-8.1!) USER MOD Single : A 1 HIS : no HE2:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 1 HIS N :NH3+ -106:sc= 0.00944 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc=-8.84e-06 X(o=-8.8e-06,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0043 X(o=-0.0043,f=-0.0043) USER MOD Single : A 5 HIS : no HE2:sc= -4.31! C(o=-4.3!,f=-5.5!) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot -174:sc= -0.111 USER MOD Single : A 8 HIS : no HE2:sc= -0.0344 K(o=-0.034,f=-1.5!) USER MOD Single : A 9 MET CE :methyl -171:sc= -0.649 (180deg=-0.816) USER MOD Single : A 13 THR OG1 : rot -150:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.488 K(o=-0.49,f=-2.4) USER MOD Single : A 20 GLN : amide:sc= -0.431 X(o=-0.43,f=-0.29) USER MOD Single : A 21 THR OG1 : rot -160:sc= 0.0296 USER MOD Single : A 22 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0473) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0292) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -130:sc= -0.832 USER MOD Single : A 38 THR OG1 : rot -139:sc= 0.00397 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 170:sc= -0.108 (180deg=-0.322) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 55 HIS : no HE2:sc= -0.021 X(o=-0.021,f=-0.06) USER MOD Single : A 57 LYS NZ :NH3+ -159:sc= -0.464 (180deg=-1.78!) USER MOD Single : A 66 SER OG : rot 61:sc= 0.284 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0109 X(o=-0.011,f=-0.011) USER MOD Single : A 78 ASN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 49:sc= 0.304 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 1.954 -20.755 15.767 1.00 75.00 N ATOM 2 CA HIS A 1 2.798 -19.928 14.857 1.00 75.00 C ATOM 3 C HIS A 1 3.875 -20.800 14.179 1.00 75.00 C ATOM 4 O HIS A 1 4.441 -21.703 14.808 1.00 75.00 O ATOM 5 CB HIS A 1 3.481 -18.758 15.633 1.00 75.00 C ATOM 6 CG HIS A 1 2.546 -17.695 16.170 1.00 75.00 C ATOM 7 ND1 HIS A 1 1.909 -17.783 17.392 1.00 75.00 N ATOM 8 CD2 HIS A 1 2.167 -16.502 15.645 1.00 75.00 C ATOM 9 CE1 HIS A 1 1.189 -16.693 17.590 1.00 75.00 C ATOM 10 NE2 HIS A 1 1.329 -15.899 16.548 1.00 75.00 N ATOM 0 H1 HIS A 1 1.021 -20.907 15.333 1.00 75.00 H new ATOM 0 H2 HIS A 1 2.414 -21.673 15.928 1.00 75.00 H new ATOM 0 H3 HIS A 1 1.837 -20.262 16.675 1.00 75.00 H new ATOM 0 HA HIS A 1 2.146 -19.504 14.093 1.00 75.00 H new ATOM 0 HB2 HIS A 1 4.042 -19.178 16.468 1.00 75.00 H new ATOM 0 HB3 HIS A 1 4.204 -18.280 14.972 1.00 75.00 H new ATOM 0 HD1 HIS A 1 1.983 -18.567 18.040 1.00 75.00 H new ATOM 0 HD2 HIS A 1 2.470 -16.100 14.689 1.00 75.00 H new ATOM 0 HE1 HIS A 1 0.586 -16.487 18.462 1.00 75.00 H new ATOM 21 N HIS A 2 4.128 -20.527 12.886 1.00 75.00 N ATOM 22 CA HIS A 2 5.277 -21.068 12.134 1.00 75.00 C ATOM 23 C HIS A 2 6.252 -19.912 11.858 1.00 75.00 C ATOM 24 O HIS A 2 6.019 -19.101 10.959 1.00 75.00 O ATOM 25 CB HIS A 2 4.814 -21.752 10.810 1.00 75.00 C ATOM 26 CG HIS A 2 4.102 -23.066 11.014 1.00 75.00 C ATOM 27 ND1 HIS A 2 2.888 -23.368 10.442 1.00 75.00 N ATOM 28 CD2 HIS A 2 4.459 -24.165 11.720 1.00 75.00 C ATOM 29 CE1 HIS A 2 2.528 -24.585 10.788 1.00 75.00 C ATOM 30 NE2 HIS A 2 3.462 -25.092 11.562 1.00 75.00 N ATOM 0 H HIS A 2 3.533 -19.917 12.326 1.00 75.00 H new ATOM 0 HA HIS A 2 5.776 -21.839 12.721 1.00 75.00 H new ATOM 0 HB2 HIS A 2 4.152 -21.072 10.274 1.00 75.00 H new ATOM 0 HB3 HIS A 2 5.684 -21.917 10.175 1.00 75.00 H new ATOM 0 HD2 HIS A 2 5.362 -24.288 12.300 1.00 75.00 H new ATOM 0 HE1 HIS A 2 1.619 -25.084 10.487 1.00 75.00 H new ATOM 0 HE2 HIS A 2 3.447 -26.024 11.977 1.00 75.00 H new ATOM 39 N HIS A 3 7.325 -19.844 12.666 1.00 75.00 N ATOM 40 CA HIS A 3 8.272 -18.716 12.682 1.00 75.00 C ATOM 41 C HIS A 3 9.235 -18.786 11.468 1.00 75.00 C ATOM 42 O HIS A 3 10.416 -19.112 11.604 1.00 75.00 O ATOM 43 CB HIS A 3 9.026 -18.720 14.047 1.00 75.00 C ATOM 44 CG HIS A 3 9.942 -17.551 14.297 1.00 75.00 C ATOM 45 ND1 HIS A 3 11.268 -17.708 14.639 1.00 75.00 N ATOM 46 CD2 HIS A 3 9.714 -16.212 14.300 1.00 75.00 C ATOM 47 CE1 HIS A 3 11.814 -16.532 14.839 1.00 75.00 C ATOM 48 NE2 HIS A 3 10.895 -15.605 14.640 1.00 75.00 N ATOM 0 H HIS A 3 7.561 -20.579 13.333 1.00 75.00 H new ATOM 0 HA HIS A 3 7.736 -17.771 12.587 1.00 75.00 H new ATOM 0 HB2 HIS A 3 8.287 -18.755 14.848 1.00 75.00 H new ATOM 0 HB3 HIS A 3 9.612 -19.637 14.113 1.00 75.00 H new ATOM 0 HD2 HIS A 3 8.779 -15.719 14.077 1.00 75.00 H new ATOM 0 HE1 HIS A 3 12.841 -16.352 15.119 1.00 75.00 H new ATOM 0 HE2 HIS A 3 11.041 -14.599 14.726 1.00 75.00 H new ATOM 57 N HIS A 4 8.673 -18.501 10.272 1.00 75.00 N ATOM 58 CA HIS A 4 9.378 -18.521 8.967 1.00 75.00 C ATOM 59 C HIS A 4 8.650 -17.566 7.994 1.00 75.00 C ATOM 60 O HIS A 4 7.419 -17.606 7.894 1.00 75.00 O ATOM 61 CB HIS A 4 9.429 -19.959 8.359 1.00 75.00 C ATOM 62 CG HIS A 4 10.346 -20.918 9.090 1.00 75.00 C ATOM 63 ND1 HIS A 4 9.890 -21.938 9.906 1.00 75.00 N ATOM 64 CD2 HIS A 4 11.704 -20.987 9.143 1.00 75.00 C ATOM 65 CE1 HIS A 4 10.920 -22.586 10.420 1.00 75.00 C ATOM 66 NE2 HIS A 4 12.025 -22.030 9.975 1.00 75.00 N ATOM 0 H HIS A 4 7.690 -18.244 10.184 1.00 75.00 H new ATOM 0 HA HIS A 4 10.406 -18.195 9.123 1.00 75.00 H new ATOM 0 HB2 HIS A 4 8.421 -20.373 8.353 1.00 75.00 H new ATOM 0 HB3 HIS A 4 9.751 -19.889 7.320 1.00 75.00 H new ATOM 0 HD2 HIS A 4 12.399 -20.342 8.627 1.00 75.00 H new ATOM 0 HE1 HIS A 4 10.864 -23.430 11.092 1.00 75.00 H new ATOM 0 HE2 HIS A 4 12.972 -22.327 10.211 1.00 75.00 H new ATOM 75 N HIS A 5 9.434 -16.718 7.301 1.00 75.00 N ATOM 76 CA HIS A 5 8.938 -15.700 6.353 1.00 75.00 C ATOM 77 C HIS A 5 10.158 -15.039 5.651 1.00 75.00 C ATOM 78 O HIS A 5 10.726 -14.046 6.123 1.00 75.00 O ATOM 79 CB HIS A 5 8.025 -14.634 7.058 1.00 75.00 C ATOM 80 CG HIS A 5 8.717 -13.849 8.149 1.00 75.00 C ATOM 81 ND1 HIS A 5 9.122 -12.542 7.987 1.00 75.00 N ATOM 82 CD2 HIS A 5 9.173 -14.225 9.369 1.00 75.00 C ATOM 83 CE1 HIS A 5 9.795 -12.157 9.049 1.00 75.00 C ATOM 84 NE2 HIS A 5 9.848 -13.159 9.900 1.00 75.00 N ATOM 0 H HIS A 5 10.450 -16.721 7.386 1.00 75.00 H new ATOM 0 HA HIS A 5 8.308 -16.184 5.606 1.00 75.00 H new ATOM 0 HB2 HIS A 5 7.651 -13.938 6.307 1.00 75.00 H new ATOM 0 HB3 HIS A 5 7.158 -15.139 7.484 1.00 75.00 H new ATOM 0 HD1 HIS A 5 8.930 -11.963 7.170 1.00 75.00 H new ATOM 0 HD2 HIS A 5 9.030 -15.188 9.836 1.00 75.00 H new ATOM 0 HE1 HIS A 5 10.232 -11.181 9.198 1.00 75.00 H new ATOM 93 N HIS A 6 10.623 -15.663 4.562 1.00 75.00 N ATOM 94 CA HIS A 6 11.731 -15.116 3.739 1.00 75.00 C ATOM 95 C HIS A 6 11.155 -14.163 2.680 1.00 75.00 C ATOM 96 O HIS A 6 11.837 -13.258 2.188 1.00 75.00 O ATOM 97 CB HIS A 6 12.552 -16.266 3.093 1.00 75.00 C ATOM 98 CG HIS A 6 13.888 -15.825 2.543 1.00 75.00 C ATOM 99 ND1 HIS A 6 14.282 -16.016 1.235 1.00 75.00 N ATOM 100 CD2 HIS A 6 14.936 -15.212 3.153 1.00 75.00 C ATOM 101 CE1 HIS A 6 15.506 -15.543 1.070 1.00 75.00 C ATOM 102 NE2 HIS A 6 15.921 -15.052 2.215 1.00 75.00 N ATOM 0 H HIS A 6 10.254 -16.551 4.222 1.00 75.00 H new ATOM 0 HA HIS A 6 12.415 -14.553 4.374 1.00 75.00 H new ATOM 0 HB2 HIS A 6 12.715 -17.046 3.837 1.00 75.00 H new ATOM 0 HB3 HIS A 6 11.967 -16.710 2.288 1.00 75.00 H new ATOM 0 HD2 HIS A 6 14.984 -14.907 4.188 1.00 75.00 H new ATOM 0 HE1 HIS A 6 16.069 -15.558 0.149 1.00 75.00 H new ATOM 0 HE2 HIS A 6 16.831 -14.621 2.379 1.00 75.00 H new ATOM 111 N SER A 7 9.883 -14.411 2.341 1.00 75.00 N ATOM 112 CA SER A 7 9.031 -13.477 1.597 1.00 75.00 C ATOM 113 C SER A 7 8.494 -12.378 2.539 1.00 75.00 C ATOM 114 O SER A 7 8.924 -12.270 3.700 1.00 75.00 O ATOM 115 CB SER A 7 7.872 -14.254 0.956 1.00 75.00 C ATOM 116 OG SER A 7 8.360 -15.265 0.103 1.00 75.00 O ATOM 0 H SER A 7 9.410 -15.282 2.581 1.00 75.00 H new ATOM 0 HA SER A 7 9.615 -12.995 0.813 1.00 75.00 H new ATOM 0 HB2 SER A 7 7.250 -14.697 1.734 1.00 75.00 H new ATOM 0 HB3 SER A 7 7.238 -13.570 0.392 1.00 75.00 H new ATOM 0 HG SER A 7 7.610 -15.686 -0.367 1.00 75.00 H new ATOM 122 N HIS A 8 7.555 -11.565 2.027 1.00 50.00 N ATOM 123 CA HIS A 8 6.906 -10.499 2.804 1.00 50.00 C ATOM 124 C HIS A 8 6.006 -11.082 3.910 1.00 50.00 C ATOM 125 O HIS A 8 5.559 -12.235 3.831 1.00 50.00 O ATOM 126 CB HIS A 8 6.089 -9.565 1.872 1.00 50.00 C ATOM 127 CG HIS A 8 6.911 -8.786 0.872 1.00 50.00 C ATOM 128 ND1 HIS A 8 6.824 -7.419 0.726 1.00 75.00 N ATOM 129 CD2 HIS A 8 7.825 -9.193 -0.048 1.00 75.00 C ATOM 130 CE1 HIS A 8 7.636 -7.025 -0.228 1.00 75.00 C ATOM 131 NE2 HIS A 8 8.259 -8.079 -0.715 1.00 75.00 N ATOM 0 H HIS A 8 7.226 -11.629 1.064 1.00 50.00 H new ATOM 0 HA HIS A 8 7.689 -9.912 3.285 1.00 50.00 H new ATOM 0 HB2 HIS A 8 5.358 -10.165 1.330 1.00 50.00 H new ATOM 0 HB3 HIS A 8 5.529 -8.861 2.488 1.00 50.00 H new ATOM 0 HD1 HIS A 8 6.221 -6.806 1.275 1.00 75.00 H new ATOM 0 HD2 HIS A 8 8.149 -10.209 -0.221 1.00 75.00 H new ATOM 0 HE1 HIS A 8 7.771 -6.006 -0.559 1.00 75.00 H new ATOM 140 N MET A 9 5.756 -10.265 4.936 1.00 10.00 N ATOM 141 CA MET A 9 4.904 -10.617 6.084 1.00 10.00 C ATOM 142 C MET A 9 3.962 -9.443 6.399 1.00 10.00 C ATOM 143 O MET A 9 4.035 -8.385 5.752 1.00 50.00 O ATOM 144 CB MET A 9 5.770 -10.967 7.328 1.00 50.00 C ATOM 145 CG MET A 9 6.611 -9.799 7.878 1.00 50.00 C ATOM 146 SD MET A 9 7.375 -10.177 9.468 1.00 50.00 S ATOM 147 CE MET A 9 8.286 -8.669 9.779 1.00 75.00 C ATOM 0 H MET A 9 6.144 -9.324 4.997 1.00 10.00 H new ATOM 0 HA MET A 9 4.313 -11.497 5.830 1.00 10.00 H new ATOM 0 HB2 MET A 9 5.114 -11.329 8.120 1.00 50.00 H new ATOM 0 HB3 MET A 9 6.439 -11.788 7.069 1.00 50.00 H new ATOM 0 HG2 MET A 9 7.389 -9.546 7.157 1.00 50.00 H new ATOM 0 HG3 MET A 9 5.977 -8.919 7.985 1.00 50.00 H new ATOM 0 HE1 MET A 9 8.936 -8.808 10.643 1.00 75.00 H new ATOM 0 HE2 MET A 9 8.891 -8.423 8.906 1.00 75.00 H new ATOM 0 HE3 MET A 9 7.587 -7.856 9.977 1.00 75.00 H new ATOM 157 N VAL A 10 3.074 -9.643 7.385 1.00 10.00 N ATOM 158 CA VAL A 10 2.162 -8.590 7.852 1.00 10.00 C ATOM 159 C VAL A 10 2.980 -7.540 8.642 1.00 10.00 C ATOM 160 O VAL A 10 3.966 -7.889 9.320 1.00 50.00 O ATOM 161 CB VAL A 10 0.952 -9.169 8.709 1.00 50.00 C ATOM 162 CG1 VAL A 10 0.555 -10.584 8.228 1.00 50.00 C ATOM 163 CG2 VAL A 10 1.193 -9.156 10.238 1.00 50.00 C ATOM 0 H VAL A 10 2.969 -10.531 7.876 1.00 10.00 H new ATOM 0 HA VAL A 10 1.701 -8.114 6.986 1.00 10.00 H new ATOM 0 HB VAL A 10 0.121 -8.485 8.535 1.00 50.00 H new ATOM 0 HG11 VAL A 10 -0.274 -10.954 8.831 1.00 50.00 H new ATOM 0 HG12 VAL A 10 0.251 -10.541 7.182 1.00 50.00 H new ATOM 0 HG13 VAL A 10 1.407 -11.256 8.331 1.00 50.00 H new ATOM 0 HG21 VAL A 10 0.321 -9.567 10.747 1.00 50.00 H new ATOM 0 HG22 VAL A 10 2.069 -9.761 10.473 1.00 50.00 H new ATOM 0 HG23 VAL A 10 1.359 -8.132 10.571 1.00 50.00 H new ATOM 173 N GLY A 11 2.599 -6.265 8.526 1.00 10.00 N ATOM 174 CA GLY A 11 3.332 -5.181 9.182 1.00 10.00 C ATOM 175 C GLY A 11 4.279 -4.442 8.233 1.00 10.00 C ATOM 176 O GLY A 11 5.054 -3.583 8.683 1.00 50.00 O ATOM 0 H GLY A 11 1.790 -5.960 7.986 1.00 10.00 H new ATOM 0 HA2 GLY A 11 2.620 -4.471 9.603 1.00 10.00 H new ATOM 0 HA3 GLY A 11 3.905 -5.589 10.014 1.00 10.00 H new ATOM 180 N ASP A 12 4.200 -4.758 6.926 1.00 10.00 N ATOM 181 CA ASP A 12 5.108 -4.200 5.895 1.00 10.00 C ATOM 182 C ASP A 12 4.837 -2.686 5.714 1.00 10.00 C ATOM 183 O ASP A 12 3.812 -2.308 5.166 1.00 50.00 O ATOM 184 CB ASP A 12 4.899 -4.977 4.555 1.00 50.00 C ATOM 185 CG ASP A 12 5.778 -4.543 3.347 1.00 50.00 C ATOM 186 OD1 ASP A 12 6.638 -3.634 3.472 1.00 50.00 O ATOM 187 OD2 ASP A 12 5.602 -5.127 2.250 1.00 50.00 O ATOM 0 H ASP A 12 3.507 -5.406 6.552 1.00 10.00 H new ATOM 0 HA ASP A 12 6.145 -4.317 6.209 1.00 10.00 H new ATOM 0 HB2 ASP A 12 5.080 -6.035 4.744 1.00 50.00 H new ATOM 0 HB3 ASP A 12 3.853 -4.880 4.266 1.00 50.00 H new ATOM 192 N THR A 13 5.790 -1.837 6.138 1.00 10.00 N ATOM 193 CA THR A 13 5.626 -0.375 6.108 1.00 10.00 C ATOM 194 C THR A 13 5.675 0.134 4.649 1.00 10.00 C ATOM 195 O THR A 13 6.666 -0.054 3.937 1.00 50.00 O ATOM 196 CB THR A 13 6.727 0.329 6.968 1.00 50.00 C ATOM 197 OG1 THR A 13 6.668 -0.165 8.324 1.00 50.00 O ATOM 198 CG2 THR A 13 6.585 1.872 6.966 1.00 50.00 C ATOM 0 H THR A 13 6.689 -2.144 6.509 1.00 10.00 H new ATOM 0 HA THR A 13 4.654 -0.129 6.537 1.00 10.00 H new ATOM 0 HB THR A 13 7.693 0.094 6.520 1.00 50.00 H new ATOM 0 HG1 THR A 13 6.966 0.536 8.941 1.00 50.00 H new ATOM 0 HG21 THR A 13 7.373 2.311 7.578 1.00 50.00 H new ATOM 0 HG22 THR A 13 6.669 2.244 5.945 1.00 50.00 H new ATOM 0 HG23 THR A 13 5.613 2.148 7.374 1.00 50.00 H new ATOM 206 N VAL A 14 4.556 0.719 4.209 1.00 10.00 N ATOM 207 CA VAL A 14 4.376 1.259 2.850 1.00 10.00 C ATOM 208 C VAL A 14 3.606 2.597 2.915 1.00 10.00 C ATOM 209 O VAL A 14 3.313 3.105 4.001 1.00 50.00 O ATOM 210 CB VAL A 14 3.595 0.253 1.916 1.00 50.00 C ATOM 211 CG1 VAL A 14 4.388 -1.056 1.685 1.00 50.00 C ATOM 212 CG2 VAL A 14 2.170 -0.027 2.465 1.00 50.00 C ATOM 0 H VAL A 14 3.731 0.835 4.797 1.00 10.00 H new ATOM 0 HA VAL A 14 5.368 1.416 2.425 1.00 10.00 H new ATOM 0 HB VAL A 14 3.486 0.729 0.942 1.00 50.00 H new ATOM 0 HG11 VAL A 14 3.815 -1.719 1.037 1.00 50.00 H new ATOM 0 HG12 VAL A 14 5.343 -0.824 1.213 1.00 50.00 H new ATOM 0 HG13 VAL A 14 4.566 -1.547 2.642 1.00 50.00 H new ATOM 0 HG21 VAL A 14 1.655 -0.723 1.802 1.00 50.00 H new ATOM 0 HG22 VAL A 14 2.243 -0.462 3.462 1.00 50.00 H new ATOM 0 HG23 VAL A 14 1.610 0.907 2.517 1.00 50.00 H new ATOM 222 N TRP A 15 3.296 3.151 1.734 1.00 10.00 N ATOM 223 CA TRP A 15 2.457 4.352 1.563 1.00 10.00 C ATOM 224 C TRP A 15 1.361 4.016 0.536 1.00 10.00 C ATOM 225 O TRP A 15 1.594 3.187 -0.353 1.00 50.00 O ATOM 226 CB TRP A 15 3.321 5.540 1.050 1.00 50.00 C ATOM 227 CG TRP A 15 4.436 5.980 1.987 1.00 50.00 C ATOM 228 CD1 TRP A 15 4.439 5.952 3.356 1.00 50.00 C ATOM 229 CD2 TRP A 15 5.717 6.514 1.610 1.00 50.00 C ATOM 230 NE1 TRP A 15 5.631 6.426 3.841 1.00 50.00 N ATOM 231 CE2 TRP A 15 6.431 6.778 2.792 1.00 50.00 C ATOM 232 CE3 TRP A 15 6.326 6.790 0.385 1.00 50.00 C ATOM 233 CZ2 TRP A 15 7.716 7.313 2.786 1.00 50.00 C ATOM 234 CZ3 TRP A 15 7.601 7.315 0.376 1.00 50.00 C ATOM 235 CH2 TRP A 15 8.287 7.569 1.569 1.00 50.00 C ATOM 0 H TRP A 15 3.628 2.769 0.848 1.00 10.00 H new ATOM 0 HA TRP A 15 2.012 4.643 2.515 1.00 10.00 H new ATOM 0 HB2 TRP A 15 3.761 5.262 0.092 1.00 50.00 H new ATOM 0 HB3 TRP A 15 2.666 6.392 0.865 1.00 50.00 H new ATOM 0 HD1 TRP A 15 3.619 5.606 3.967 1.00 50.00 H new ATOM 0 HE1 TRP A 15 5.880 6.503 4.827 1.00 50.00 H new ATOM 0 HE3 TRP A 15 5.807 6.595 -0.542 1.00 50.00 H new ATOM 0 HZ2 TRP A 15 8.242 7.518 3.707 1.00 50.00 H new ATOM 0 HZ3 TRP A 15 8.078 7.534 -0.568 1.00 50.00 H new ATOM 0 HH2 TRP A 15 9.287 7.975 1.528 1.00 50.00 H new ATOM 246 N VAL A 16 0.187 4.668 0.635 1.00 10.00 N ATOM 247 CA VAL A 16 -0.920 4.450 -0.329 1.00 10.00 C ATOM 248 C VAL A 16 -1.062 5.710 -1.196 1.00 10.00 C ATOM 249 O VAL A 16 -1.541 6.759 -0.742 1.00 50.00 O ATOM 250 CB VAL A 16 -2.299 4.062 0.363 1.00 50.00 C ATOM 251 CG1 VAL A 16 -3.466 4.004 -0.657 1.00 50.00 C ATOM 252 CG2 VAL A 16 -2.170 2.708 1.105 1.00 50.00 C ATOM 0 H VAL A 16 -0.023 5.347 1.366 1.00 10.00 H new ATOM 0 HA VAL A 16 -0.666 3.589 -0.948 1.00 10.00 H new ATOM 0 HB VAL A 16 -2.531 4.846 1.084 1.00 50.00 H new ATOM 0 HG11 VAL A 16 -4.388 3.736 -0.141 1.00 50.00 H new ATOM 0 HG12 VAL A 16 -3.585 4.979 -1.129 1.00 50.00 H new ATOM 0 HG13 VAL A 16 -3.246 3.256 -1.419 1.00 50.00 H new ATOM 0 HG21 VAL A 16 -3.122 2.457 1.573 1.00 50.00 H new ATOM 0 HG22 VAL A 16 -1.899 1.928 0.394 1.00 50.00 H new ATOM 0 HG23 VAL A 16 -1.398 2.785 1.871 1.00 50.00 H new ATOM 262 N ARG A 17 -0.576 5.589 -2.439 1.00 10.00 N ATOM 263 CA ARG A 17 -0.574 6.655 -3.438 1.00 10.00 C ATOM 264 C ARG A 17 -1.887 6.633 -4.246 1.00 10.00 C ATOM 265 O ARG A 17 -2.017 5.902 -5.237 1.00 50.00 O ATOM 266 CB ARG A 17 0.675 6.479 -4.344 1.00 50.00 C ATOM 267 CG ARG A 17 0.899 7.618 -5.355 1.00 50.00 C ATOM 268 CD ARG A 17 2.130 7.391 -6.236 1.00 50.00 C ATOM 269 NE ARG A 17 2.080 6.102 -6.956 1.00 50.00 N ATOM 270 CZ ARG A 17 3.125 5.265 -7.103 1.00 50.00 C ATOM 271 NH1 ARG A 17 4.315 5.570 -6.592 1.00 75.00 N ATOM 272 NH2 ARG A 17 2.977 4.131 -7.767 1.00 75.00 N ATOM 0 H ARG A 17 -0.163 4.722 -2.782 1.00 10.00 H new ATOM 0 HA ARG A 17 -0.519 7.631 -2.956 1.00 10.00 H new ATOM 0 HB2 ARG A 17 1.558 6.394 -3.711 1.00 50.00 H new ATOM 0 HB3 ARG A 17 0.583 5.540 -4.889 1.00 50.00 H new ATOM 0 HG2 ARG A 17 0.017 7.715 -5.988 1.00 50.00 H new ATOM 0 HG3 ARG A 17 1.011 8.559 -4.817 1.00 50.00 H new ATOM 0 HD2 ARG A 17 2.211 8.204 -6.958 1.00 50.00 H new ATOM 0 HD3 ARG A 17 3.027 7.423 -5.617 1.00 50.00 H new ATOM 0 HE ARG A 17 1.190 5.826 -7.372 1.00 50.00 H new ATOM 0 HH11 ARG A 17 4.443 6.445 -6.083 1.00 75.00 H new ATOM 0 HH12 ARG A 17 5.100 4.929 -6.709 1.00 75.00 H new ATOM 0 HH21 ARG A 17 2.071 3.890 -8.168 1.00 75.00 H new ATOM 0 HH22 ARG A 17 3.769 3.498 -7.878 1.00 75.00 H new ATOM 286 N ARG A 18 -2.868 7.435 -3.795 1.00 10.00 N ATOM 287 CA ARG A 18 -4.231 7.426 -4.354 1.00 10.00 C ATOM 288 C ARG A 18 -4.370 8.506 -5.448 1.00 10.00 C ATOM 289 O ARG A 18 -4.030 9.681 -5.231 1.00 50.00 O ATOM 290 CB ARG A 18 -5.280 7.646 -3.226 1.00 50.00 C ATOM 291 CG ARG A 18 -6.743 7.402 -3.668 1.00 50.00 C ATOM 292 CD ARG A 18 -7.766 7.658 -2.547 1.00 50.00 C ATOM 293 NE ARG A 18 -7.491 6.879 -1.320 1.00 75.00 N ATOM 294 CZ ARG A 18 -8.414 6.516 -0.407 1.00 75.00 C ATOM 295 NH1 ARG A 18 -9.702 6.844 -0.551 1.00 75.00 N ATOM 296 NH2 ARG A 18 -8.029 5.847 0.674 1.00 75.00 N ATOM 0 H ARG A 18 -2.739 8.104 -3.036 1.00 10.00 H new ATOM 0 HA ARG A 18 -4.416 6.453 -4.809 1.00 10.00 H new ATOM 0 HB2 ARG A 18 -5.048 6.982 -2.394 1.00 50.00 H new ATOM 0 HB3 ARG A 18 -5.189 8.667 -2.854 1.00 50.00 H new ATOM 0 HG2 ARG A 18 -6.972 8.049 -4.515 1.00 50.00 H new ATOM 0 HG3 ARG A 18 -6.844 6.374 -4.015 1.00 50.00 H new ATOM 0 HD2 ARG A 18 -7.769 8.720 -2.302 1.00 50.00 H new ATOM 0 HD3 ARG A 18 -8.764 7.411 -2.911 1.00 50.00 H new ATOM 0 HE ARG A 18 -6.526 6.594 -1.151 1.00 75.00 H new ATOM 0 HH11 ARG A 18 -10.004 7.380 -1.365 1.00 75.00 H new ATOM 0 HH12 ARG A 18 -10.383 6.558 0.153 1.00 75.00 H new ATOM 0 HH21 ARG A 18 -7.045 5.614 0.806 1.00 75.00 H new ATOM 0 HH22 ARG A 18 -8.718 5.567 1.372 1.00 75.00 H new ATOM 310 N HIS A 19 -4.860 8.083 -6.624 1.00 50.00 N ATOM 311 CA HIS A 19 -5.099 8.964 -7.781 1.00 50.00 C ATOM 312 C HIS A 19 -6.536 9.503 -7.715 1.00 50.00 C ATOM 313 O HIS A 19 -7.492 8.728 -7.784 1.00 75.00 O ATOM 314 CB HIS A 19 -4.859 8.161 -9.094 1.00 75.00 C ATOM 315 CG HIS A 19 -4.755 8.994 -10.348 1.00 75.00 C ATOM 316 ND1 HIS A 19 -5.290 8.609 -11.559 1.00 75.00 N ATOM 317 CD2 HIS A 19 -4.103 10.155 -10.586 1.00 75.00 C ATOM 318 CE1 HIS A 19 -4.965 9.494 -12.477 1.00 75.00 C ATOM 319 NE2 HIS A 19 -4.249 10.439 -11.912 1.00 75.00 N ATOM 0 H HIS A 19 -5.105 7.109 -6.801 1.00 50.00 H new ATOM 0 HA HIS A 19 -4.412 9.810 -7.764 1.00 50.00 H new ATOM 0 HB2 HIS A 19 -3.942 7.583 -8.984 1.00 75.00 H new ATOM 0 HB3 HIS A 19 -5.673 7.447 -9.218 1.00 75.00 H new ATOM 0 HD2 HIS A 19 -3.566 10.748 -9.860 1.00 75.00 H new ATOM 0 HE1 HIS A 19 -5.241 9.451 -13.520 1.00 75.00 H new ATOM 0 HE2 HIS A 19 -3.864 11.255 -12.388 1.00 75.00 H new ATOM 328 N GLN A 20 -6.669 10.825 -7.536 1.00 75.00 N ATOM 329 CA GLN A 20 -7.978 11.503 -7.470 1.00 75.00 C ATOM 330 C GLN A 20 -8.525 11.773 -8.886 1.00 75.00 C ATOM 331 O GLN A 20 -9.480 11.119 -9.325 1.00 75.00 O ATOM 332 CB GLN A 20 -7.857 12.817 -6.639 1.00 75.00 C ATOM 333 CG GLN A 20 -7.518 12.582 -5.148 1.00 75.00 C ATOM 334 CD GLN A 20 -8.599 11.784 -4.398 1.00 75.00 C ATOM 335 OE1 GLN A 20 -9.796 11.911 -4.669 1.00 75.00 O ATOM 336 NE2 GLN A 20 -8.188 10.933 -3.473 1.00 75.00 N ATOM 0 H GLN A 20 -5.875 11.457 -7.433 1.00 75.00 H new ATOM 0 HA GLN A 20 -8.691 10.850 -6.967 1.00 75.00 H new ATOM 0 HB2 GLN A 20 -7.086 13.447 -7.083 1.00 75.00 H new ATOM 0 HB3 GLN A 20 -8.796 13.367 -6.707 1.00 75.00 H new ATOM 0 HG2 GLN A 20 -6.569 12.051 -5.077 1.00 75.00 H new ATOM 0 HG3 GLN A 20 -7.381 13.546 -4.657 1.00 75.00 H new ATOM 0 HE21 GLN A 20 -7.193 10.846 -3.266 1.00 75.00 H new ATOM 0 HE22 GLN A 20 -8.866 10.364 -2.966 1.00 75.00 H new ATOM 345 N THR A 21 -7.899 12.724 -9.602 1.00 75.00 N ATOM 346 CA THR A 21 -8.302 13.116 -10.970 1.00 75.00 C ATOM 347 C THR A 21 -7.225 12.681 -11.986 1.00 75.00 C ATOM 348 O THR A 21 -6.046 12.572 -11.630 1.00 75.00 O ATOM 349 CB THR A 21 -8.521 14.666 -11.066 1.00 75.00 C ATOM 350 OG1 THR A 21 -7.301 15.350 -10.734 1.00 75.00 O ATOM 351 CG2 THR A 21 -9.643 15.151 -10.131 1.00 75.00 C ATOM 0 H THR A 21 -7.096 13.246 -9.250 1.00 75.00 H new ATOM 0 HA THR A 21 -9.242 12.616 -11.202 1.00 75.00 H new ATOM 0 HB THR A 21 -8.816 14.891 -12.091 1.00 75.00 H new ATOM 0 HG1 THR A 21 -7.503 16.276 -10.485 1.00 75.00 H new ATOM 0 HG21 THR A 21 -9.759 16.230 -10.231 1.00 75.00 H new ATOM 0 HG22 THR A 21 -10.578 14.659 -10.399 1.00 75.00 H new ATOM 0 HG23 THR A 21 -9.388 14.908 -9.100 1.00 75.00 H new ATOM 359 N LYS A 22 -7.647 12.455 -13.249 1.00 75.00 N ATOM 360 CA LYS A 22 -6.746 12.079 -14.363 1.00 75.00 C ATOM 361 C LYS A 22 -5.800 13.242 -14.738 1.00 75.00 C ATOM 362 O LYS A 22 -4.715 13.016 -15.289 1.00 75.00 O ATOM 363 CB LYS A 22 -7.575 11.658 -15.607 1.00 75.00 C ATOM 364 CG LYS A 22 -8.506 10.445 -15.400 1.00 75.00 C ATOM 365 CD LYS A 22 -9.311 10.109 -16.680 1.00 75.00 C ATOM 366 CE LYS A 22 -10.239 8.897 -16.505 1.00 75.00 C ATOM 367 NZ LYS A 22 -9.491 7.650 -16.179 1.00 75.00 N ATOM 0 H LYS A 22 -8.626 12.528 -13.527 1.00 75.00 H new ATOM 0 HA LYS A 22 -6.139 11.237 -14.029 1.00 75.00 H new ATOM 0 HB2 LYS A 22 -8.178 12.508 -15.925 1.00 75.00 H new ATOM 0 HB3 LYS A 22 -6.887 11.432 -16.422 1.00 75.00 H new ATOM 0 HG2 LYS A 22 -7.913 9.579 -15.106 1.00 75.00 H new ATOM 0 HG3 LYS A 22 -9.195 10.652 -14.582 1.00 75.00 H new ATOM 0 HD2 LYS A 22 -9.906 10.976 -16.967 1.00 75.00 H new ATOM 0 HD3 LYS A 22 -8.617 9.913 -17.498 1.00 75.00 H new ATOM 0 HE2 LYS A 22 -10.957 9.104 -15.712 1.00 75.00 H new ATOM 0 HE3 LYS A 22 -10.811 8.746 -17.421 1.00 75.00 H new ATOM 0 HZ1 LYS A 22 -10.144 6.841 -16.188 1.00 75.00 H new ATOM 0 HZ2 LYS A 22 -8.743 7.499 -16.886 1.00 75.00 H new ATOM 0 HZ3 LYS A 22 -9.063 7.739 -15.236 1.00 75.00 H new ATOM 381 N ASN A 23 -6.249 14.479 -14.445 1.00 75.00 N ATOM 382 CA ASN A 23 -5.468 15.710 -14.670 1.00 75.00 C ATOM 383 C ASN A 23 -4.242 15.732 -13.748 1.00 50.00 C ATOM 384 O ASN A 23 -3.114 15.906 -14.209 1.00 50.00 O ATOM 385 CB ASN A 23 -6.359 16.969 -14.444 1.00 50.00 C ATOM 386 CG ASN A 23 -5.576 18.291 -14.534 1.00 75.00 C ATOM 387 OD1 ASN A 23 -5.368 18.833 -15.623 1.00 75.00 O ATOM 388 ND2 ASN A 23 -5.155 18.824 -13.397 1.00 75.00 N ATOM 0 H ASN A 23 -7.170 14.652 -14.043 1.00 75.00 H new ATOM 0 HA ASN A 23 -5.121 15.724 -15.703 1.00 75.00 H new ATOM 0 HB2 ASN A 23 -7.159 16.977 -15.184 1.00 50.00 H new ATOM 0 HB3 ASN A 23 -6.832 16.900 -13.464 1.00 50.00 H new ATOM 0 HD21 ASN A 23 -4.643 19.706 -13.406 1.00 75.00 H new ATOM 0 HD22 ASN A 23 -5.342 18.352 -12.512 1.00 75.00 H new ATOM 395 N LEU A 24 -4.487 15.538 -12.445 1.00 10.00 N ATOM 396 CA LEU A 24 -3.427 15.530 -11.419 1.00 50.00 C ATOM 397 C LEU A 24 -2.720 14.162 -11.380 1.00 50.00 C ATOM 398 O LEU A 24 -3.264 13.153 -11.848 1.00 50.00 O ATOM 399 CB LEU A 24 -4.031 15.860 -10.024 1.00 50.00 C ATOM 400 CG LEU A 24 -4.742 17.241 -9.886 1.00 75.00 C ATOM 401 CD1 LEU A 24 -5.387 17.403 -8.493 1.00 75.00 C ATOM 402 CD2 LEU A 24 -3.777 18.399 -10.197 1.00 75.00 C ATOM 0 H LEU A 24 -5.423 15.382 -12.070 1.00 10.00 H new ATOM 0 HA LEU A 24 -2.691 16.292 -11.676 1.00 50.00 H new ATOM 0 HB2 LEU A 24 -4.748 15.080 -9.769 1.00 50.00 H new ATOM 0 HB3 LEU A 24 -3.231 15.812 -9.285 1.00 50.00 H new ATOM 0 HG LEU A 24 -5.544 17.275 -10.624 1.00 75.00 H new ATOM 0 HD11 LEU A 24 -5.874 18.376 -8.429 1.00 75.00 H new ATOM 0 HD12 LEU A 24 -6.126 16.616 -8.340 1.00 75.00 H new ATOM 0 HD13 LEU A 24 -4.617 17.332 -7.725 1.00 75.00 H new ATOM 0 HD21 LEU A 24 -4.302 19.348 -10.092 1.00 75.00 H new ATOM 0 HD22 LEU A 24 -2.938 18.370 -9.502 1.00 75.00 H new ATOM 0 HD23 LEU A 24 -3.407 18.300 -11.217 1.00 75.00 H new ATOM 414 N GLU A 25 -1.499 14.151 -10.825 1.00 50.00 N ATOM 415 CA GLU A 25 -0.738 12.916 -10.552 1.00 10.00 C ATOM 416 C GLU A 25 -1.236 12.279 -9.225 1.00 10.00 C ATOM 417 O GLU A 25 -1.778 12.996 -8.371 1.00 50.00 O ATOM 418 CB GLU A 25 0.783 13.239 -10.463 1.00 50.00 C ATOM 419 CG GLU A 25 1.398 13.775 -11.767 1.00 50.00 C ATOM 420 CD GLU A 25 2.906 14.051 -11.656 1.00 75.00 C ATOM 421 OE1 GLU A 25 3.715 13.124 -11.892 1.00 75.00 O ATOM 422 OE2 GLU A 25 3.290 15.195 -11.321 1.00 75.00 O ATOM 0 H GLU A 25 -1.007 15.001 -10.550 1.00 50.00 H new ATOM 0 HA GLU A 25 -0.895 12.207 -11.364 1.00 10.00 H new ATOM 0 HB2 GLU A 25 0.940 13.974 -9.673 1.00 50.00 H new ATOM 0 HB3 GLU A 25 1.317 12.335 -10.169 1.00 50.00 H new ATOM 0 HG2 GLU A 25 1.225 13.054 -12.566 1.00 50.00 H new ATOM 0 HG3 GLU A 25 0.887 14.695 -12.051 1.00 50.00 H new ATOM 429 N PRO A 26 -1.078 10.929 -9.030 1.00 10.00 N ATOM 430 CA PRO A 26 -1.514 10.244 -7.779 1.00 50.00 C ATOM 431 C PRO A 26 -0.729 10.739 -6.535 1.00 10.00 C ATOM 432 O PRO A 26 0.506 10.737 -6.529 1.00 50.00 O ATOM 433 CB PRO A 26 -1.255 8.747 -8.095 1.00 50.00 C ATOM 434 CG PRO A 26 -0.195 8.749 -9.156 1.00 50.00 C ATOM 435 CD PRO A 26 -0.485 9.963 -10.002 1.00 50.00 C ATOM 0 HA PRO A 26 -2.553 10.445 -7.520 1.00 50.00 H new ATOM 0 HB2 PRO A 26 -0.923 8.208 -7.207 1.00 50.00 H new ATOM 0 HB3 PRO A 26 -2.163 8.255 -8.445 1.00 50.00 H new ATOM 0 HG2 PRO A 26 0.801 8.804 -8.717 1.00 50.00 H new ATOM 0 HG3 PRO A 26 -0.232 7.836 -9.751 1.00 50.00 H new ATOM 0 HD2 PRO A 26 0.421 10.359 -10.460 1.00 50.00 H new ATOM 0 HD3 PRO A 26 -1.177 9.732 -10.812 1.00 50.00 H new ATOM 443 N ARG A 27 -1.468 11.175 -5.500 1.00 10.00 N ATOM 444 CA ARG A 27 -0.890 11.759 -4.270 1.00 10.00 C ATOM 445 C ARG A 27 -0.868 10.688 -3.167 1.00 10.00 C ATOM 446 O ARG A 27 -1.895 10.039 -2.913 1.00 50.00 O ATOM 447 CB ARG A 27 -1.735 12.988 -3.825 1.00 50.00 C ATOM 448 CG ARG A 27 -1.147 13.785 -2.631 1.00 50.00 C ATOM 449 CD ARG A 27 -2.066 14.926 -2.149 1.00 50.00 C ATOM 450 NE ARG A 27 -2.384 15.899 -3.213 1.00 50.00 N ATOM 451 CZ ARG A 27 -3.297 16.890 -3.113 1.00 75.00 C ATOM 452 NH1 ARG A 27 -4.014 17.065 -1.996 1.00 75.00 N ATOM 453 NH2 ARG A 27 -3.476 17.716 -4.134 1.00 75.00 N ATOM 0 H ARG A 27 -2.487 11.133 -5.490 1.00 10.00 H new ATOM 0 HA ARG A 27 0.130 12.094 -4.460 1.00 10.00 H new ATOM 0 HB2 ARG A 27 -1.845 13.662 -4.674 1.00 50.00 H new ATOM 0 HB3 ARG A 27 -2.735 12.646 -3.558 1.00 50.00 H new ATOM 0 HG2 ARG A 27 -0.962 13.101 -1.802 1.00 50.00 H new ATOM 0 HG3 ARG A 27 -0.183 14.202 -2.921 1.00 50.00 H new ATOM 0 HD2 ARG A 27 -2.993 14.501 -1.764 1.00 50.00 H new ATOM 0 HD3 ARG A 27 -1.586 15.446 -1.320 1.00 50.00 H new ATOM 0 HE ARG A 27 -1.874 15.817 -4.093 1.00 50.00 H new ATOM 0 HH11 ARG A 27 -3.876 16.444 -1.199 1.00 75.00 H new ATOM 0 HH12 ARG A 27 -4.698 17.820 -1.942 1.00 75.00 H new ATOM 0 HH21 ARG A 27 -2.927 17.600 -4.986 1.00 75.00 H new ATOM 0 HH22 ARG A 27 -4.163 18.467 -4.068 1.00 75.00 H new ATOM 467 N TRP A 28 0.298 10.496 -2.518 1.00 10.00 N ATOM 468 CA TRP A 28 0.458 9.464 -1.474 1.00 10.00 C ATOM 469 C TRP A 28 0.219 10.021 -0.072 1.00 10.00 C ATOM 470 O TRP A 28 0.493 11.194 0.216 1.00 50.00 O ATOM 471 CB TRP A 28 1.846 8.753 -1.553 1.00 50.00 C ATOM 472 CG TRP A 28 3.063 9.629 -1.370 1.00 50.00 C ATOM 473 CD1 TRP A 28 3.726 10.327 -2.339 1.00 50.00 C ATOM 474 CD2 TRP A 28 3.792 9.857 -0.152 1.00 50.00 C ATOM 475 NE1 TRP A 28 4.802 10.975 -1.800 1.00 50.00 N ATOM 476 CE2 TRP A 28 4.868 10.703 -0.462 1.00 50.00 C ATOM 477 CE3 TRP A 28 3.634 9.429 1.167 1.00 50.00 C ATOM 478 CZ2 TRP A 28 5.782 11.129 0.494 1.00 50.00 C ATOM 479 CZ3 TRP A 28 4.541 9.850 2.117 1.00 50.00 C ATOM 480 CH2 TRP A 28 5.605 10.694 1.780 1.00 50.00 C ATOM 0 H TRP A 28 1.141 11.041 -2.698 1.00 10.00 H new ATOM 0 HA TRP A 28 -0.310 8.716 -1.671 1.00 10.00 H new ATOM 0 HB2 TRP A 28 1.872 7.970 -0.795 1.00 50.00 H new ATOM 0 HB3 TRP A 28 1.923 8.261 -2.522 1.00 50.00 H new ATOM 0 HD1 TRP A 28 3.441 10.362 -3.380 1.00 50.00 H new ATOM 0 HE1 TRP A 28 5.453 11.568 -2.315 1.00 50.00 H new ATOM 0 HE3 TRP A 28 2.815 8.779 1.439 1.00 50.00 H new ATOM 0 HZ2 TRP A 28 6.603 11.780 0.232 1.00 50.00 H new ATOM 0 HZ3 TRP A 28 4.428 9.522 3.140 1.00 50.00 H new ATOM 0 HH2 TRP A 28 6.298 11.007 2.547 1.00 50.00 H new ATOM 491 N LYS A 29 -0.332 9.146 0.768 1.00 10.00 N ATOM 492 CA LYS A 29 -0.395 9.326 2.221 1.00 10.00 C ATOM 493 C LYS A 29 0.487 8.261 2.878 1.00 10.00 C ATOM 494 O LYS A 29 0.746 7.198 2.284 1.00 50.00 O ATOM 495 CB LYS A 29 -1.852 9.196 2.747 1.00 50.00 C ATOM 496 CG LYS A 29 -2.801 10.338 2.348 1.00 50.00 C ATOM 497 CD LYS A 29 -4.222 10.136 2.917 1.00 50.00 C ATOM 498 CE LYS A 29 -5.137 11.346 2.677 1.00 50.00 C ATOM 499 NZ LYS A 29 -5.224 11.725 1.241 1.00 75.00 N ATOM 0 H LYS A 29 -0.756 8.274 0.453 1.00 10.00 H new ATOM 0 HA LYS A 29 -0.042 10.327 2.469 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -2.269 8.256 2.384 1.00 50.00 H new ATOM 0 HB3 LYS A 29 -1.823 9.133 3.835 1.00 50.00 H new ATOM 0 HG2 LYS A 29 -2.399 11.285 2.706 1.00 50.00 H new ATOM 0 HG3 LYS A 29 -2.852 10.404 1.261 1.00 50.00 H new ATOM 0 HD2 LYS A 29 -4.669 9.252 2.461 1.00 50.00 H new ATOM 0 HD3 LYS A 29 -4.156 9.943 3.988 1.00 50.00 H new ATOM 0 HE2 LYS A 29 -6.136 11.120 3.050 1.00 50.00 H new ATOM 0 HE3 LYS A 29 -4.767 12.196 3.251 1.00 50.00 H new ATOM 0 HZ1 LYS A 29 -5.893 12.514 1.130 1.00 75.00 H new ATOM 0 HZ2 LYS A 29 -4.285 12.017 0.901 1.00 75.00 H new ATOM 0 HZ3 LYS A 29 -5.555 10.910 0.686 1.00 75.00 H new ATOM 513 N GLY A 30 0.913 8.557 4.109 1.00 10.00 N ATOM 514 CA GLY A 30 1.669 7.625 4.928 1.00 10.00 C ATOM 515 C GLY A 30 1.515 7.956 6.421 1.00 10.00 C ATOM 516 O GLY A 30 0.915 8.973 6.761 1.00 50.00 O ATOM 0 H GLY A 30 0.739 9.455 4.561 1.00 10.00 H new ATOM 0 HA2 GLY A 30 1.325 6.608 4.740 1.00 10.00 H new ATOM 0 HA3 GLY A 30 2.722 7.662 4.650 1.00 10.00 H new ATOM 520 N PRO A 31 1.999 7.083 7.354 1.00 10.00 N ATOM 521 CA PRO A 31 2.499 5.730 7.034 1.00 10.00 C ATOM 522 C PRO A 31 1.341 4.703 6.913 1.00 10.00 C ATOM 523 O PRO A 31 0.218 4.943 7.379 1.00 50.00 O ATOM 524 CB PRO A 31 3.413 5.419 8.241 1.00 50.00 C ATOM 525 CG PRO A 31 2.760 6.125 9.391 1.00 50.00 C ATOM 526 CD PRO A 31 2.130 7.382 8.813 1.00 50.00 C ATOM 0 HA PRO A 31 3.013 5.675 6.075 1.00 10.00 H new ATOM 0 HB2 PRO A 31 3.483 4.346 8.421 1.00 50.00 H new ATOM 0 HB3 PRO A 31 4.428 5.782 8.076 1.00 50.00 H new ATOM 0 HG2 PRO A 31 2.007 5.492 9.860 1.00 50.00 H new ATOM 0 HG3 PRO A 31 3.491 6.374 10.161 1.00 50.00 H new ATOM 0 HD2 PRO A 31 1.161 7.588 9.267 1.00 50.00 H new ATOM 0 HD3 PRO A 31 2.755 8.258 8.986 1.00 50.00 H new ATOM 534 N TYR A 32 1.635 3.579 6.261 1.00 10.00 N ATOM 535 CA TYR A 32 0.704 2.448 6.085 1.00 10.00 C ATOM 536 C TYR A 32 1.431 1.126 6.317 1.00 10.00 C ATOM 537 O TYR A 32 2.648 1.109 6.546 1.00 50.00 O ATOM 538 CB TYR A 32 0.041 2.486 4.684 1.00 50.00 C ATOM 539 CG TYR A 32 -1.045 3.556 4.535 1.00 50.00 C ATOM 540 CD1 TYR A 32 -2.345 3.316 4.997 1.00 50.00 C ATOM 541 CD2 TYR A 32 -0.790 4.784 3.941 1.00 50.00 C ATOM 542 CE1 TYR A 32 -3.340 4.265 4.868 1.00 50.00 C ATOM 543 CE2 TYR A 32 -1.785 5.733 3.813 1.00 50.00 C ATOM 544 CZ TYR A 32 -3.056 5.471 4.278 1.00 50.00 C ATOM 545 OH TYR A 32 -4.047 6.423 4.148 1.00 50.00 O ATOM 0 H TYR A 32 2.545 3.419 5.828 1.00 10.00 H new ATOM 0 HA TYR A 32 -0.091 2.536 6.825 1.00 10.00 H new ATOM 0 HB2 TYR A 32 0.812 2.659 3.933 1.00 50.00 H new ATOM 0 HB3 TYR A 32 -0.395 1.509 4.473 1.00 50.00 H new ATOM 0 HD1 TYR A 32 -2.574 2.369 5.464 1.00 50.00 H new ATOM 0 HD2 TYR A 32 0.202 5.001 3.573 1.00 50.00 H new ATOM 0 HE1 TYR A 32 -4.337 4.059 5.230 1.00 50.00 H new ATOM 0 HE2 TYR A 32 -1.567 6.683 3.347 1.00 50.00 H new ATOM 0 HH TYR A 32 -3.680 7.219 3.710 1.00 50.00 H new ATOM 555 N THR A 33 0.664 0.021 6.256 1.00 10.00 N ATOM 556 CA THR A 33 1.168 -1.304 6.598 1.00 10.00 C ATOM 557 C THR A 33 0.404 -2.414 5.832 1.00 10.00 C ATOM 558 O THR A 33 -0.798 -2.623 6.041 1.00 50.00 O ATOM 559 CB THR A 33 1.113 -1.508 8.164 1.00 50.00 C ATOM 560 OG1 THR A 33 1.528 -2.818 8.510 1.00 50.00 O ATOM 561 CG2 THR A 33 -0.276 -1.244 8.777 1.00 50.00 C ATOM 0 H THR A 33 -0.315 0.031 5.969 1.00 10.00 H new ATOM 0 HA THR A 33 2.209 -1.380 6.285 1.00 10.00 H new ATOM 0 HB THR A 33 1.795 -0.766 8.579 1.00 50.00 H new ATOM 0 HG1 THR A 33 0.869 -3.222 9.112 1.00 50.00 H new ATOM 0 HG21 THR A 33 -0.235 -1.404 9.854 1.00 50.00 H new ATOM 0 HG22 THR A 33 -0.574 -0.215 8.574 1.00 50.00 H new ATOM 0 HG23 THR A 33 -1.004 -1.926 8.336 1.00 50.00 H new ATOM 569 N VAL A 34 1.122 -3.083 4.899 1.00 10.00 N ATOM 570 CA VAL A 34 0.629 -4.267 4.178 1.00 10.00 C ATOM 571 C VAL A 34 0.491 -5.441 5.161 1.00 10.00 C ATOM 572 O VAL A 34 1.450 -5.786 5.886 1.00 50.00 O ATOM 573 CB VAL A 34 1.575 -4.684 2.977 1.00 50.00 C ATOM 574 CG1 VAL A 34 1.094 -5.965 2.269 1.00 50.00 C ATOM 575 CG2 VAL A 34 1.740 -3.543 1.957 1.00 50.00 C ATOM 0 H VAL A 34 2.066 -2.809 4.628 1.00 10.00 H new ATOM 0 HA VAL A 34 -0.340 -4.011 3.750 1.00 10.00 H new ATOM 0 HB VAL A 34 2.549 -4.894 3.419 1.00 50.00 H new ATOM 0 HG11 VAL A 34 1.776 -6.208 1.454 1.00 50.00 H new ATOM 0 HG12 VAL A 34 1.073 -6.789 2.982 1.00 50.00 H new ATOM 0 HG13 VAL A 34 0.093 -5.806 1.869 1.00 50.00 H new ATOM 0 HG21 VAL A 34 2.396 -3.869 1.149 1.00 50.00 H new ATOM 0 HG22 VAL A 34 0.765 -3.277 1.548 1.00 50.00 H new ATOM 0 HG23 VAL A 34 2.176 -2.674 2.450 1.00 50.00 H new ATOM 585 N LEU A 35 -0.726 -6.001 5.213 1.00 10.00 N ATOM 586 CA LEU A 35 -1.057 -7.169 6.041 1.00 10.00 C ATOM 587 C LEU A 35 -1.212 -8.434 5.166 1.00 10.00 C ATOM 588 O LEU A 35 -1.146 -9.552 5.676 1.00 50.00 O ATOM 589 CB LEU A 35 -2.337 -6.883 6.878 1.00 50.00 C ATOM 590 CG LEU A 35 -2.281 -5.597 7.777 1.00 50.00 C ATOM 591 CD1 LEU A 35 -3.544 -5.454 8.655 1.00 50.00 C ATOM 592 CD2 LEU A 35 -0.997 -5.555 8.632 1.00 50.00 C ATOM 0 H LEU A 35 -1.518 -5.651 4.674 1.00 10.00 H new ATOM 0 HA LEU A 35 -0.238 -7.357 6.735 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.183 -6.793 6.197 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -2.533 -7.744 7.517 1.00 50.00 H new ATOM 0 HG LEU A 35 -2.255 -4.740 7.103 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -3.465 -4.552 9.262 1.00 50.00 H new ATOM 0 HD12 LEU A 35 -4.425 -5.386 8.017 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -3.634 -6.323 9.307 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -0.994 -4.651 9.240 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -0.964 -6.430 9.282 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -0.125 -5.555 7.979 1.00 50.00 H new ATOM 604 N LEU A 36 -1.412 -8.245 3.839 1.00 10.00 N ATOM 605 CA LEU A 36 -1.421 -9.361 2.857 1.00 10.00 C ATOM 606 C LEU A 36 -0.830 -8.892 1.523 1.00 10.00 C ATOM 607 O LEU A 36 -1.146 -7.803 1.036 1.00 50.00 O ATOM 608 CB LEU A 36 -2.862 -9.875 2.619 1.00 50.00 C ATOM 609 CG LEU A 36 -3.067 -10.965 1.503 1.00 50.00 C ATOM 610 CD1 LEU A 36 -2.485 -12.332 1.909 1.00 50.00 C ATOM 611 CD2 LEU A 36 -4.549 -11.081 1.107 1.00 50.00 C ATOM 0 H LEU A 36 -1.570 -7.328 3.422 1.00 10.00 H new ATOM 0 HA LEU A 36 -0.818 -10.172 3.264 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -3.234 -10.282 3.559 1.00 50.00 H new ATOM 0 HB3 LEU A 36 -3.489 -9.018 2.372 1.00 50.00 H new ATOM 0 HG LEU A 36 -2.510 -10.634 0.627 1.00 50.00 H new ATOM 0 HD11 LEU A 36 -2.651 -13.051 1.107 1.00 50.00 H new ATOM 0 HD12 LEU A 36 -1.415 -12.232 2.091 1.00 50.00 H new ATOM 0 HD13 LEU A 36 -2.977 -12.682 2.817 1.00 50.00 H new ATOM 0 HD21 LEU A 36 -4.661 -11.842 0.334 1.00 50.00 H new ATOM 0 HD22 LEU A 36 -5.138 -11.362 1.980 1.00 50.00 H new ATOM 0 HD23 LEU A 36 -4.900 -10.122 0.726 1.00 50.00 H new ATOM 623 N THR A 37 -0.019 -9.763 0.924 1.00 10.00 N ATOM 624 CA THR A 37 0.568 -9.563 -0.398 1.00 10.00 C ATOM 625 C THR A 37 -0.130 -10.499 -1.389 1.00 10.00 C ATOM 626 O THR A 37 -0.414 -11.654 -1.065 1.00 50.00 O ATOM 627 CB THR A 37 2.115 -9.822 -0.380 1.00 50.00 C ATOM 628 OG1 THR A 37 2.421 -11.178 -0.004 1.00 50.00 O ATOM 629 CG2 THR A 37 2.822 -8.866 0.591 1.00 50.00 C ATOM 0 H THR A 37 0.254 -10.646 1.355 1.00 10.00 H new ATOM 0 HA THR A 37 0.422 -8.527 -0.704 1.00 10.00 H new ATOM 0 HB THR A 37 2.475 -9.645 -1.394 1.00 50.00 H new ATOM 0 HG1 THR A 37 1.861 -11.441 0.756 1.00 50.00 H new ATOM 0 HG21 THR A 37 3.893 -9.067 0.584 1.00 50.00 H new ATOM 0 HG22 THR A 37 2.644 -7.836 0.282 1.00 50.00 H new ATOM 0 HG23 THR A 37 2.431 -9.015 1.598 1.00 50.00 H new ATOM 637 N THR A 38 -0.444 -9.982 -2.571 1.00 10.00 N ATOM 638 CA THR A 38 -1.193 -10.707 -3.611 1.00 10.00 C ATOM 639 C THR A 38 -0.578 -10.344 -4.991 1.00 10.00 C ATOM 640 O THR A 38 0.007 -9.263 -5.129 1.00 50.00 O ATOM 641 CB THR A 38 -2.721 -10.302 -3.504 1.00 50.00 C ATOM 642 OG1 THR A 38 -3.240 -10.726 -2.227 1.00 50.00 O ATOM 643 CG2 THR A 38 -3.611 -10.875 -4.622 1.00 50.00 C ATOM 0 H THR A 38 -0.185 -9.034 -2.846 1.00 10.00 H new ATOM 0 HA THR A 38 -1.127 -11.788 -3.485 1.00 10.00 H new ATOM 0 HB THR A 38 -2.752 -9.218 -3.612 1.00 50.00 H new ATOM 0 HG1 THR A 38 -4.141 -11.093 -2.346 1.00 50.00 H new ATOM 0 HG21 THR A 38 -4.640 -10.548 -4.471 1.00 50.00 H new ATOM 0 HG22 THR A 38 -3.255 -10.519 -5.589 1.00 50.00 H new ATOM 0 HG23 THR A 38 -3.569 -11.964 -4.598 1.00 50.00 H new ATOM 651 N PRO A 39 -0.597 -11.269 -6.007 1.00 10.00 N ATOM 652 CA PRO A 39 -0.216 -10.921 -7.398 1.00 10.00 C ATOM 653 C PRO A 39 -0.879 -9.600 -7.898 1.00 10.00 C ATOM 654 O PRO A 39 -2.103 -9.536 -8.085 1.00 50.00 O ATOM 655 CB PRO A 39 -0.664 -12.168 -8.231 1.00 50.00 C ATOM 656 CG PRO A 39 -1.411 -13.062 -7.272 1.00 50.00 C ATOM 657 CD PRO A 39 -0.884 -12.725 -5.894 1.00 50.00 C ATOM 0 HA PRO A 39 0.851 -10.717 -7.492 1.00 10.00 H new ATOM 0 HB2 PRO A 39 -1.301 -11.872 -9.065 1.00 50.00 H new ATOM 0 HB3 PRO A 39 0.197 -12.684 -8.655 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -2.485 -12.888 -7.332 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -1.244 -14.113 -7.508 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -1.618 -12.935 -5.116 1.00 50.00 H new ATOM 0 HD3 PRO A 39 0.011 -13.297 -5.650 1.00 50.00 H new ATOM 665 N THR A 40 -0.027 -8.546 -8.021 1.00 10.00 N ATOM 666 CA THR A 40 -0.372 -7.217 -8.600 1.00 10.00 C ATOM 667 C THR A 40 -1.330 -6.401 -7.674 1.00 10.00 C ATOM 668 O THR A 40 -1.918 -5.387 -8.083 1.00 50.00 O ATOM 669 CB THR A 40 -0.912 -7.384 -10.077 1.00 50.00 C ATOM 670 OG1 THR A 40 -0.049 -8.296 -10.783 1.00 50.00 O ATOM 671 CG2 THR A 40 -0.945 -6.062 -10.873 1.00 50.00 C ATOM 0 H THR A 40 0.944 -8.598 -7.712 1.00 10.00 H new ATOM 0 HA THR A 40 0.538 -6.619 -8.659 1.00 10.00 H new ATOM 0 HB THR A 40 -1.935 -7.750 -9.997 1.00 50.00 H new ATOM 0 HG1 THR A 40 -0.374 -8.410 -11.701 1.00 50.00 H new ATOM 0 HG21 THR A 40 -1.326 -6.251 -11.877 1.00 50.00 H new ATOM 0 HG22 THR A 40 -1.595 -5.349 -10.367 1.00 50.00 H new ATOM 0 HG23 THR A 40 0.063 -5.652 -10.939 1.00 50.00 H new ATOM 679 N ALA A 41 -1.402 -6.809 -6.385 1.00 10.00 N ATOM 680 CA ALA A 41 -2.302 -6.184 -5.394 1.00 10.00 C ATOM 681 C ALA A 41 -1.757 -6.377 -3.969 1.00 10.00 C ATOM 682 O ALA A 41 -1.161 -7.403 -3.665 1.00 50.00 O ATOM 683 CB ALA A 41 -3.714 -6.774 -5.523 1.00 50.00 C ATOM 0 H ALA A 41 -0.842 -7.574 -6.008 1.00 10.00 H new ATOM 0 HA ALA A 41 -2.353 -5.113 -5.591 1.00 10.00 H new ATOM 0 HB1 ALA A 41 -4.371 -6.308 -4.789 1.00 50.00 H new ATOM 0 HB2 ALA A 41 -4.097 -6.584 -6.526 1.00 50.00 H new ATOM 0 HB3 ALA A 41 -3.677 -7.849 -5.346 1.00 50.00 H new ATOM 689 N LEU A 42 -1.956 -5.377 -3.099 1.00 10.00 N ATOM 690 CA LEU A 42 -1.511 -5.424 -1.696 1.00 10.00 C ATOM 691 C LEU A 42 -2.672 -4.987 -0.799 1.00 10.00 C ATOM 692 O LEU A 42 -3.193 -3.870 -0.954 1.00 50.00 O ATOM 693 CB LEU A 42 -0.265 -4.499 -1.479 1.00 50.00 C ATOM 694 CG LEU A 42 1.028 -4.886 -2.277 1.00 50.00 C ATOM 695 CD1 LEU A 42 2.178 -3.890 -2.029 1.00 50.00 C ATOM 696 CD2 LEU A 42 1.476 -6.323 -1.960 1.00 50.00 C ATOM 0 H LEU A 42 -2.431 -4.509 -3.348 1.00 10.00 H new ATOM 0 HA LEU A 42 -1.214 -6.441 -1.440 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -0.543 -3.480 -1.749 1.00 50.00 H new ATOM 0 HB3 LEU A 42 -0.023 -4.493 -0.416 1.00 50.00 H new ATOM 0 HG LEU A 42 0.771 -4.836 -3.335 1.00 50.00 H new ATOM 0 HD11 LEU A 42 3.054 -4.196 -2.601 1.00 50.00 H new ATOM 0 HD12 LEU A 42 1.870 -2.893 -2.343 1.00 50.00 H new ATOM 0 HD13 LEU A 42 2.425 -3.876 -0.967 1.00 50.00 H new ATOM 0 HD21 LEU A 42 2.375 -6.558 -2.530 1.00 50.00 H new ATOM 0 HD22 LEU A 42 1.689 -6.411 -0.895 1.00 50.00 H new ATOM 0 HD23 LEU A 42 0.682 -7.020 -2.230 1.00 50.00 H new ATOM 708 N LYS A 43 -3.085 -5.870 0.123 1.00 10.00 N ATOM 709 CA LYS A 43 -4.096 -5.530 1.123 1.00 10.00 C ATOM 710 C LYS A 43 -3.389 -4.860 2.305 1.00 10.00 C ATOM 711 O LYS A 43 -2.638 -5.508 3.050 1.00 50.00 O ATOM 712 CB LYS A 43 -4.873 -6.778 1.609 1.00 50.00 C ATOM 713 CG LYS A 43 -5.988 -6.450 2.637 1.00 50.00 C ATOM 714 CD LYS A 43 -6.808 -7.685 3.068 1.00 50.00 C ATOM 715 CE LYS A 43 -5.985 -8.696 3.873 1.00 50.00 C ATOM 716 NZ LYS A 43 -5.358 -8.061 5.067 1.00 75.00 N ATOM 0 H LYS A 43 -2.731 -6.824 0.193 1.00 10.00 H new ATOM 0 HA LYS A 43 -4.826 -4.857 0.673 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -5.318 -7.277 0.748 1.00 50.00 H new ATOM 0 HB3 LYS A 43 -4.171 -7.481 2.058 1.00 50.00 H new ATOM 0 HG2 LYS A 43 -5.536 -5.997 3.520 1.00 50.00 H new ATOM 0 HG3 LYS A 43 -6.661 -5.708 2.207 1.00 50.00 H new ATOM 0 HD2 LYS A 43 -7.659 -7.359 3.666 1.00 50.00 H new ATOM 0 HD3 LYS A 43 -7.210 -8.175 2.181 1.00 50.00 H new ATOM 0 HE2 LYS A 43 -6.626 -9.518 4.191 1.00 50.00 H new ATOM 0 HE3 LYS A 43 -5.210 -9.124 3.238 1.00 50.00 H new ATOM 0 HZ1 LYS A 43 -4.952 -8.797 5.679 1.00 75.00 H new ATOM 0 HZ2 LYS A 43 -4.605 -7.412 4.760 1.00 75.00 H new ATOM 0 HZ3 LYS A 43 -6.079 -7.530 5.596 1.00 75.00 H new ATOM 730 N VAL A 44 -3.633 -3.556 2.424 1.00 10.00 N ATOM 731 CA VAL A 44 -3.067 -2.685 3.456 1.00 10.00 C ATOM 732 C VAL A 44 -4.153 -2.400 4.523 1.00 10.00 C ATOM 733 O VAL A 44 -5.350 -2.519 4.233 1.00 50.00 O ATOM 734 CB VAL A 44 -2.562 -1.351 2.776 1.00 50.00 C ATOM 735 CG1 VAL A 44 -1.979 -0.356 3.792 1.00 50.00 C ATOM 736 CG2 VAL A 44 -1.543 -1.650 1.645 1.00 50.00 C ATOM 0 H VAL A 44 -4.251 -3.059 1.783 1.00 10.00 H new ATOM 0 HA VAL A 44 -2.220 -3.163 3.948 1.00 10.00 H new ATOM 0 HB VAL A 44 -3.437 -0.875 2.333 1.00 50.00 H new ATOM 0 HG11 VAL A 44 -1.647 0.543 3.272 1.00 50.00 H new ATOM 0 HG12 VAL A 44 -2.744 -0.091 4.522 1.00 50.00 H new ATOM 0 HG13 VAL A 44 -1.132 -0.813 4.304 1.00 50.00 H new ATOM 0 HG21 VAL A 44 -1.213 -0.713 1.196 1.00 50.00 H new ATOM 0 HG22 VAL A 44 -0.683 -2.176 2.060 1.00 50.00 H new ATOM 0 HG23 VAL A 44 -2.016 -2.271 0.884 1.00 50.00 H new ATOM 746 N ASP A 45 -3.731 -2.067 5.757 1.00 10.00 N ATOM 747 CA ASP A 45 -4.647 -1.707 6.857 1.00 10.00 C ATOM 748 C ASP A 45 -5.478 -0.455 6.498 1.00 10.00 C ATOM 749 O ASP A 45 -4.918 0.610 6.203 1.00 50.00 O ATOM 750 CB ASP A 45 -3.838 -1.477 8.152 1.00 50.00 C ATOM 751 CG ASP A 45 -4.689 -1.013 9.356 1.00 50.00 C ATOM 752 OD1 ASP A 45 -5.457 -1.831 9.907 1.00 50.00 O ATOM 753 OD2 ASP A 45 -4.575 0.164 9.778 1.00 50.00 O ATOM 0 H ASP A 45 -2.746 -2.040 6.020 1.00 10.00 H new ATOM 0 HA ASP A 45 -5.344 -2.529 7.017 1.00 10.00 H new ATOM 0 HB2 ASP A 45 -3.327 -2.403 8.417 1.00 50.00 H new ATOM 0 HB3 ASP A 45 -3.067 -0.732 7.958 1.00 50.00 H new ATOM 758 N GLY A 46 -6.815 -0.615 6.507 1.00 10.00 N ATOM 759 CA GLY A 46 -7.754 0.466 6.186 1.00 10.00 C ATOM 760 C GLY A 46 -8.448 0.268 4.849 1.00 10.00 C ATOM 761 O GLY A 46 -9.534 0.815 4.620 1.00 50.00 O ATOM 0 H GLY A 46 -7.270 -1.498 6.737 1.00 10.00 H new ATOM 0 HA2 GLY A 46 -8.505 0.534 6.973 1.00 10.00 H new ATOM 0 HA3 GLY A 46 -7.218 1.415 6.174 1.00 10.00 H new ATOM 765 N ILE A 47 -7.813 -0.523 3.966 1.00 10.00 N ATOM 766 CA ILE A 47 -8.294 -0.768 2.592 1.00 10.00 C ATOM 767 C ILE A 47 -9.473 -1.765 2.599 1.00 10.00 C ATOM 768 O ILE A 47 -9.516 -2.659 3.448 1.00 50.00 O ATOM 769 CB ILE A 47 -7.113 -1.308 1.702 1.00 50.00 C ATOM 770 CG1 ILE A 47 -5.899 -0.312 1.735 1.00 50.00 C ATOM 771 CG2 ILE A 47 -7.557 -1.625 0.257 1.00 50.00 C ATOM 772 CD1 ILE A 47 -6.211 1.146 1.419 1.00 50.00 C ATOM 0 H ILE A 47 -6.946 -1.014 4.186 1.00 10.00 H new ATOM 0 HA ILE A 47 -8.651 0.171 2.170 1.00 10.00 H new ATOM 0 HB ILE A 47 -6.788 -2.256 2.131 1.00 50.00 H new ATOM 0 HG12 ILE A 47 -5.446 -0.358 2.725 1.00 50.00 H new ATOM 0 HG13 ILE A 47 -5.150 -0.663 1.025 1.00 50.00 H new ATOM 0 HG21 ILE A 47 -6.704 -1.994 -0.313 1.00 50.00 H new ATOM 0 HG22 ILE A 47 -8.338 -2.385 0.275 1.00 50.00 H new ATOM 0 HG23 ILE A 47 -7.943 -0.720 -0.212 1.00 50.00 H new ATOM 0 HD11 ILE A 47 -5.295 1.734 1.473 1.00 50.00 H new ATOM 0 HD12 ILE A 47 -6.630 1.219 0.416 1.00 50.00 H new ATOM 0 HD13 ILE A 47 -6.931 1.529 2.142 1.00 50.00 H new ATOM 784 N ALA A 48 -10.421 -1.587 1.645 1.00 10.00 N ATOM 785 CA ALA A 48 -11.627 -2.428 1.540 1.00 10.00 C ATOM 786 C ALA A 48 -11.268 -3.910 1.329 1.00 10.00 C ATOM 787 O ALA A 48 -11.750 -4.777 2.065 1.00 50.00 O ATOM 788 CB ALA A 48 -12.544 -1.910 0.414 1.00 50.00 C ATOM 0 H ALA A 48 -10.366 -0.859 0.933 1.00 10.00 H new ATOM 0 HA ALA A 48 -12.168 -2.361 2.484 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -13.431 -2.541 0.348 1.00 50.00 H new ATOM 0 HB2 ALA A 48 -12.843 -0.885 0.631 1.00 50.00 H new ATOM 0 HB3 ALA A 48 -12.007 -1.938 -0.534 1.00 50.00 H new ATOM 794 N ALA A 49 -10.387 -4.191 0.342 1.00 10.00 N ATOM 795 CA ALA A 49 -9.919 -5.565 0.073 1.00 10.00 C ATOM 796 C ALA A 49 -8.475 -5.592 -0.485 1.00 10.00 C ATOM 797 O ALA A 49 -7.615 -6.237 0.092 1.00 50.00 O ATOM 798 CB ALA A 49 -10.897 -6.278 -0.881 1.00 50.00 C ATOM 0 H ALA A 49 -9.989 -3.486 -0.278 1.00 10.00 H new ATOM 0 HA ALA A 49 -9.896 -6.101 1.022 1.00 10.00 H new ATOM 0 HB1 ALA A 49 -10.544 -7.291 -1.074 1.00 50.00 H new ATOM 0 HB2 ALA A 49 -11.886 -6.319 -0.424 1.00 50.00 H new ATOM 0 HB3 ALA A 49 -10.954 -5.729 -1.821 1.00 50.00 H new ATOM 804 N TRP A 50 -8.214 -4.918 -1.626 1.00 10.00 N ATOM 805 CA TRP A 50 -6.851 -4.838 -2.237 1.00 10.00 C ATOM 806 C TRP A 50 -6.605 -3.486 -2.939 1.00 10.00 C ATOM 807 O TRP A 50 -7.521 -2.910 -3.527 1.00 50.00 O ATOM 808 CB TRP A 50 -6.600 -6.014 -3.236 1.00 50.00 C ATOM 809 CG TRP A 50 -6.382 -7.364 -2.576 1.00 50.00 C ATOM 810 CD1 TRP A 50 -5.212 -7.827 -2.052 1.00 50.00 C ATOM 811 CD2 TRP A 50 -7.350 -8.411 -2.359 1.00 50.00 C ATOM 812 NE1 TRP A 50 -5.388 -9.079 -1.530 1.00 50.00 N ATOM 813 CE2 TRP A 50 -6.687 -9.460 -1.703 1.00 50.00 C ATOM 814 CE3 TRP A 50 -8.705 -8.557 -2.660 1.00 50.00 C ATOM 815 CZ2 TRP A 50 -7.330 -10.640 -1.339 1.00 50.00 C ATOM 816 CZ3 TRP A 50 -9.348 -9.724 -2.298 1.00 50.00 C ATOM 817 CH2 TRP A 50 -8.660 -10.755 -1.642 1.00 50.00 C ATOM 0 H TRP A 50 -8.929 -4.415 -2.152 1.00 10.00 H new ATOM 0 HA TRP A 50 -6.141 -4.923 -1.414 1.00 10.00 H new ATOM 0 HB2 TRP A 50 -7.452 -6.088 -3.912 1.00 50.00 H new ATOM 0 HB3 TRP A 50 -5.728 -5.777 -3.846 1.00 50.00 H new ATOM 0 HD1 TRP A 50 -4.279 -7.283 -2.049 1.00 50.00 H new ATOM 0 HE1 TRP A 50 -4.663 -9.639 -1.082 1.00 50.00 H new ATOM 0 HE3 TRP A 50 -9.242 -7.770 -3.168 1.00 50.00 H new ATOM 0 HZ2 TRP A 50 -6.799 -11.435 -0.836 1.00 50.00 H new ATOM 0 HZ3 TRP A 50 -10.397 -9.845 -2.524 1.00 50.00 H new ATOM 0 HH2 TRP A 50 -9.189 -11.656 -1.371 1.00 50.00 H new ATOM 828 N ILE A 51 -5.348 -3.002 -2.888 1.00 10.00 N ATOM 829 CA ILE A 51 -4.872 -1.858 -3.698 1.00 10.00 C ATOM 830 C ILE A 51 -3.949 -2.384 -4.808 1.00 10.00 C ATOM 831 O ILE A 51 -2.982 -3.087 -4.519 1.00 50.00 O ATOM 832 CB ILE A 51 -4.108 -0.782 -2.813 1.00 50.00 C ATOM 833 CG1 ILE A 51 -5.084 -0.048 -1.850 1.00 50.00 C ATOM 834 CG2 ILE A 51 -3.323 0.245 -3.668 1.00 50.00 C ATOM 835 CD1 ILE A 51 -6.198 0.740 -2.523 1.00 50.00 C ATOM 0 H ILE A 51 -4.629 -3.395 -2.281 1.00 10.00 H new ATOM 0 HA ILE A 51 -5.738 -1.359 -4.133 1.00 10.00 H new ATOM 0 HB ILE A 51 -3.380 -1.336 -2.221 1.00 50.00 H new ATOM 0 HG12 ILE A 51 -5.534 -0.785 -1.185 1.00 50.00 H new ATOM 0 HG13 ILE A 51 -4.507 0.634 -1.225 1.00 50.00 H new ATOM 0 HG21 ILE A 51 -2.821 0.956 -3.012 1.00 50.00 H new ATOM 0 HG22 ILE A 51 -2.582 -0.277 -4.274 1.00 50.00 H new ATOM 0 HG23 ILE A 51 -4.014 0.779 -4.320 1.00 50.00 H new ATOM 0 HD11 ILE A 51 -6.820 1.212 -1.763 1.00 50.00 H new ATOM 0 HD12 ILE A 51 -5.765 1.507 -3.165 1.00 50.00 H new ATOM 0 HD13 ILE A 51 -6.808 0.066 -3.124 1.00 50.00 H new ATOM 847 N HIS A 52 -4.262 -2.035 -6.070 1.00 10.00 N ATOM 848 CA HIS A 52 -3.433 -2.368 -7.245 1.00 10.00 C ATOM 849 C HIS A 52 -2.023 -1.762 -7.032 1.00 10.00 C ATOM 850 O HIS A 52 -1.903 -0.547 -6.865 1.00 50.00 O ATOM 851 CB HIS A 52 -4.132 -1.818 -8.514 1.00 50.00 C ATOM 852 CG HIS A 52 -3.523 -2.198 -9.841 1.00 50.00 C ATOM 853 ND1 HIS A 52 -2.456 -1.539 -10.413 1.00 50.00 N ATOM 854 CD2 HIS A 52 -3.855 -3.186 -10.707 1.00 50.00 C ATOM 855 CE1 HIS A 52 -2.178 -2.090 -11.584 1.00 50.00 C ATOM 856 NE2 HIS A 52 -3.009 -3.091 -11.781 1.00 50.00 N ATOM 0 H HIS A 52 -5.104 -1.510 -6.305 1.00 10.00 H new ATOM 0 HA HIS A 52 -3.319 -3.445 -7.372 1.00 10.00 H new ATOM 0 HB2 HIS A 52 -5.168 -2.156 -8.506 1.00 50.00 H new ATOM 0 HB3 HIS A 52 -4.151 -0.730 -8.447 1.00 50.00 H new ATOM 0 HD2 HIS A 52 -4.642 -3.914 -10.575 1.00 50.00 H new ATOM 0 HE1 HIS A 52 -1.401 -1.772 -12.263 1.00 50.00 H new ATOM 0 HE2 HIS A 52 -3.022 -3.698 -12.601 1.00 50.00 H new ATOM 865 N ALA A 53 -0.990 -2.633 -7.059 1.00 10.00 N ATOM 866 CA ALA A 53 0.387 -2.360 -6.524 1.00 10.00 C ATOM 867 C ALA A 53 1.076 -1.101 -7.102 1.00 10.00 C ATOM 868 O ALA A 53 2.019 -0.573 -6.502 1.00 50.00 O ATOM 869 CB ALA A 53 1.271 -3.601 -6.729 1.00 50.00 C ATOM 0 H ALA A 53 -1.079 -3.567 -7.459 1.00 10.00 H new ATOM 0 HA ALA A 53 0.260 -2.145 -5.463 1.00 10.00 H new ATOM 0 HB1 ALA A 53 2.270 -3.404 -6.341 1.00 50.00 H new ATOM 0 HB2 ALA A 53 0.837 -4.449 -6.199 1.00 50.00 H new ATOM 0 HB3 ALA A 53 1.334 -3.832 -7.793 1.00 50.00 H new ATOM 875 N ALA A 54 0.588 -0.629 -8.257 1.00 10.00 N ATOM 876 CA ALA A 54 1.032 0.638 -8.875 1.00 10.00 C ATOM 877 C ALA A 54 0.449 1.884 -8.153 1.00 10.00 C ATOM 878 O ALA A 54 0.559 2.995 -8.659 1.00 50.00 O ATOM 879 CB ALA A 54 0.669 0.628 -10.367 1.00 50.00 C ATOM 0 H ALA A 54 -0.130 -1.114 -8.795 1.00 10.00 H new ATOM 0 HA ALA A 54 2.114 0.711 -8.770 1.00 10.00 H new ATOM 0 HB1 ALA A 54 0.995 1.561 -10.827 1.00 50.00 H new ATOM 0 HB2 ALA A 54 1.165 -0.210 -10.856 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -0.411 0.526 -10.478 1.00 50.00 H new ATOM 885 N HIS A 55 -0.186 1.674 -6.981 1.00 10.00 N ATOM 886 CA HIS A 55 -0.642 2.744 -6.069 1.00 10.00 C ATOM 887 C HIS A 55 -0.019 2.542 -4.666 1.00 10.00 C ATOM 888 O HIS A 55 -0.524 3.082 -3.684 1.00 50.00 O ATOM 889 CB HIS A 55 -2.196 2.741 -5.938 1.00 50.00 C ATOM 890 CG HIS A 55 -2.974 3.067 -7.182 1.00 50.00 C ATOM 891 ND1 HIS A 55 -2.983 4.320 -7.754 1.00 50.00 N ATOM 892 CD2 HIS A 55 -3.805 2.307 -7.939 1.00 50.00 C ATOM 893 CE1 HIS A 55 -3.779 4.319 -8.805 1.00 50.00 C ATOM 894 NE2 HIS A 55 -4.288 3.113 -8.936 1.00 50.00 N ATOM 0 H HIS A 55 -0.400 0.738 -6.636 1.00 10.00 H new ATOM 0 HA HIS A 55 -0.323 3.700 -6.485 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -2.507 1.756 -5.589 1.00 50.00 H new ATOM 0 HB3 HIS A 55 -2.475 3.456 -5.164 1.00 50.00 H new ATOM 0 HD1 HIS A 55 -2.455 5.125 -7.416 1.00 50.00 H new ATOM 0 HD2 HIS A 55 -4.041 1.264 -7.785 1.00 50.00 H new ATOM 0 HE1 HIS A 55 -3.979 5.163 -9.448 1.00 50.00 H new ATOM 903 N VAL A 56 1.069 1.749 -4.571 1.00 10.00 N ATOM 904 CA VAL A 56 1.738 1.457 -3.280 1.00 10.00 C ATOM 905 C VAL A 56 3.242 1.778 -3.377 1.00 10.00 C ATOM 906 O VAL A 56 3.934 1.253 -4.254 1.00 50.00 O ATOM 907 CB VAL A 56 1.562 -0.050 -2.828 1.00 50.00 C ATOM 908 CG1 VAL A 56 2.208 -0.292 -1.448 1.00 50.00 C ATOM 909 CG2 VAL A 56 0.080 -0.487 -2.825 1.00 50.00 C ATOM 0 H VAL A 56 1.506 1.297 -5.374 1.00 10.00 H new ATOM 0 HA VAL A 56 1.260 2.089 -2.531 1.00 10.00 H new ATOM 0 HB VAL A 56 2.079 -0.667 -3.563 1.00 50.00 H new ATOM 0 HG11 VAL A 56 2.073 -1.335 -1.161 1.00 50.00 H new ATOM 0 HG12 VAL A 56 3.273 -0.065 -1.500 1.00 50.00 H new ATOM 0 HG13 VAL A 56 1.735 0.352 -0.707 1.00 50.00 H new ATOM 0 HG21 VAL A 56 0.008 -1.528 -2.508 1.00 50.00 H new ATOM 0 HG22 VAL A 56 -0.483 0.142 -2.136 1.00 50.00 H new ATOM 0 HG23 VAL A 56 -0.332 -0.384 -3.829 1.00 50.00 H new ATOM 919 N LYS A 57 3.737 2.624 -2.452 1.00 10.00 N ATOM 920 CA LYS A 57 5.163 2.996 -2.377 1.00 10.00 C ATOM 921 C LYS A 57 5.791 2.329 -1.135 1.00 10.00 C ATOM 922 O LYS A 57 5.468 2.711 -0.008 1.00 50.00 O ATOM 923 CB LYS A 57 5.309 4.541 -2.266 1.00 50.00 C ATOM 924 CG LYS A 57 4.566 5.355 -3.346 1.00 50.00 C ATOM 925 CD LYS A 57 4.747 6.893 -3.197 1.00 50.00 C ATOM 926 CE LYS A 57 6.072 7.449 -3.757 1.00 50.00 C ATOM 927 NZ LYS A 57 7.301 6.855 -3.142 1.00 75.00 N ATOM 0 H LYS A 57 3.160 3.068 -1.737 1.00 10.00 H new ATOM 0 HA LYS A 57 5.672 2.658 -3.280 1.00 10.00 H new ATOM 0 HB2 LYS A 57 4.947 4.854 -1.286 1.00 50.00 H new ATOM 0 HB3 LYS A 57 6.369 4.793 -2.310 1.00 50.00 H new ATOM 0 HG2 LYS A 57 4.922 5.049 -4.330 1.00 50.00 H new ATOM 0 HG3 LYS A 57 3.503 5.116 -3.303 1.00 50.00 H new ATOM 0 HD2 LYS A 57 3.919 7.392 -3.701 1.00 50.00 H new ATOM 0 HD3 LYS A 57 4.679 7.151 -2.140 1.00 50.00 H new ATOM 0 HE2 LYS A 57 6.099 7.276 -4.833 1.00 50.00 H new ATOM 0 HE3 LYS A 57 6.091 8.529 -3.607 1.00 50.00 H new ATOM 0 HZ1 LYS A 57 8.107 7.495 -3.289 1.00 75.00 H new ATOM 0 HZ2 LYS A 57 7.148 6.719 -2.122 1.00 75.00 H new ATOM 0 HZ3 LYS A 57 7.503 5.937 -3.587 1.00 75.00 H new ATOM 941 N ALA A 58 6.681 1.350 -1.355 1.00 10.00 N ATOM 942 CA ALA A 58 7.340 0.592 -0.266 1.00 10.00 C ATOM 943 C ALA A 58 8.315 1.490 0.541 1.00 10.00 C ATOM 944 O ALA A 58 9.252 2.065 -0.023 1.00 50.00 O ATOM 945 CB ALA A 58 8.062 -0.630 -0.863 1.00 50.00 C ATOM 0 H ALA A 58 6.968 1.057 -2.289 1.00 10.00 H new ATOM 0 HA ALA A 58 6.581 0.247 0.436 1.00 10.00 H new ATOM 0 HB1 ALA A 58 8.549 -1.191 -0.065 1.00 50.00 H new ATOM 0 HB2 ALA A 58 7.338 -1.270 -1.367 1.00 50.00 H new ATOM 0 HB3 ALA A 58 8.811 -0.295 -1.580 1.00 50.00 H new ATOM 951 N ALA A 59 8.063 1.621 1.862 1.00 10.00 N ATOM 952 CA ALA A 59 8.848 2.497 2.765 1.00 10.00 C ATOM 953 C ALA A 59 9.694 1.650 3.746 1.00 10.00 C ATOM 954 O ALA A 59 9.212 0.649 4.280 1.00 50.00 O ATOM 955 CB ALA A 59 7.896 3.428 3.531 1.00 50.00 C ATOM 0 H ALA A 59 7.309 1.122 2.334 1.00 10.00 H new ATOM 0 HA ALA A 59 9.533 3.101 2.170 1.00 10.00 H new ATOM 0 HB1 ALA A 59 8.473 4.072 4.195 1.00 50.00 H new ATOM 0 HB2 ALA A 59 7.340 4.042 2.823 1.00 50.00 H new ATOM 0 HB3 ALA A 59 7.199 2.831 4.120 1.00 50.00 H new ATOM 961 N ASP A 60 10.954 2.053 3.978 1.00 10.00 N ATOM 962 CA ASP A 60 11.903 1.309 4.845 1.00 10.00 C ATOM 963 C ASP A 60 11.841 1.860 6.300 1.00 50.00 C ATOM 964 O ASP A 60 12.208 3.018 6.532 1.00 50.00 O ATOM 965 CB ASP A 60 13.343 1.419 4.249 1.00 50.00 C ATOM 966 CG ASP A 60 14.418 0.494 4.887 1.00 50.00 C ATOM 967 OD1 ASP A 60 14.151 -0.196 5.900 1.00 50.00 O ATOM 968 OD2 ASP A 60 15.550 0.446 4.348 1.00 75.00 O ATOM 0 H ASP A 60 11.350 2.902 3.574 1.00 10.00 H new ATOM 0 HA ASP A 60 11.626 0.255 4.880 1.00 10.00 H new ATOM 0 HB2 ASP A 60 13.291 1.200 3.182 1.00 50.00 H new ATOM 0 HB3 ASP A 60 13.677 2.452 4.347 1.00 50.00 H new ATOM 973 N PRO A 61 11.350 1.042 7.300 1.00 50.00 N ATOM 974 CA PRO A 61 11.267 1.462 8.723 1.00 50.00 C ATOM 975 C PRO A 61 12.537 1.127 9.543 1.00 50.00 C ATOM 976 O PRO A 61 12.595 1.420 10.746 1.00 75.00 O ATOM 977 CB PRO A 61 10.071 0.616 9.209 1.00 75.00 C ATOM 978 CG PRO A 61 10.233 -0.690 8.490 1.00 75.00 C ATOM 979 CD PRO A 61 10.801 -0.341 7.122 1.00 50.00 C ATOM 0 HA PRO A 61 11.163 2.541 8.840 1.00 50.00 H new ATOM 0 HB2 PRO A 61 10.091 0.481 10.290 1.00 75.00 H new ATOM 0 HB3 PRO A 61 9.121 1.091 8.964 1.00 75.00 H new ATOM 0 HG2 PRO A 61 10.903 -1.355 9.034 1.00 75.00 H new ATOM 0 HG3 PRO A 61 9.278 -1.206 8.397 1.00 75.00 H new ATOM 0 HD2 PRO A 61 11.578 -1.043 6.821 1.00 50.00 H new ATOM 0 HD3 PRO A 61 10.031 -0.369 6.351 1.00 50.00 H new ATOM 987 N GLY A 62 13.537 0.508 8.878 1.00 50.00 N ATOM 988 CA GLY A 62 14.703 -0.054 9.553 1.00 50.00 C ATOM 989 C GLY A 62 14.352 -1.345 10.285 1.00 75.00 C ATOM 990 O GLY A 62 14.189 -2.395 9.652 1.00 75.00 O ATOM 0 H GLY A 62 13.549 0.390 7.865 1.00 50.00 H new ATOM 0 HA2 GLY A 62 15.489 -0.249 8.823 1.00 50.00 H new ATOM 0 HA3 GLY A 62 15.100 0.672 10.262 1.00 50.00 H new ATOM 994 N GLY A 63 14.219 -1.264 11.619 1.00 75.00 N ATOM 995 CA GLY A 63 13.765 -2.394 12.438 1.00 75.00 C ATOM 996 C GLY A 63 12.235 -2.462 12.501 1.00 75.00 C ATOM 997 O GLY A 63 11.612 -1.794 13.345 1.00 75.00 O ATOM 0 H GLY A 63 14.422 -0.420 12.154 1.00 75.00 H new ATOM 0 HA2 GLY A 63 14.155 -3.324 12.025 1.00 75.00 H new ATOM 0 HA3 GLY A 63 14.168 -2.299 13.446 1.00 75.00 H new ATOM 1001 N GLY A 64 11.631 -3.245 11.578 1.00 75.00 N ATOM 1002 CA GLY A 64 10.164 -3.376 11.477 1.00 75.00 C ATOM 1003 C GLY A 64 9.552 -4.359 12.499 1.00 75.00 C ATOM 1004 O GLY A 64 10.120 -4.537 13.581 1.00 75.00 O ATOM 0 H GLY A 64 12.143 -3.797 10.890 1.00 75.00 H new ATOM 0 HA2 GLY A 64 9.711 -2.394 11.616 1.00 75.00 H new ATOM 0 HA3 GLY A 64 9.907 -3.707 10.471 1.00 75.00 H new ATOM 1008 N PRO A 65 8.382 -5.019 12.178 1.00 75.00 N ATOM 1009 CA PRO A 65 7.641 -5.910 13.129 1.00 75.00 C ATOM 1010 C PRO A 65 8.471 -7.087 13.693 1.00 75.00 C ATOM 1011 O PRO A 65 8.171 -7.581 14.780 1.00 75.00 O ATOM 1012 CB PRO A 65 6.453 -6.430 12.284 1.00 75.00 C ATOM 1013 CG PRO A 65 6.279 -5.396 11.217 1.00 75.00 C ATOM 1014 CD PRO A 65 7.673 -4.932 10.872 1.00 75.00 C ATOM 0 HA PRO A 65 7.352 -5.359 14.024 1.00 75.00 H new ATOM 0 HB2 PRO A 65 6.667 -7.410 11.857 1.00 75.00 H new ATOM 0 HB3 PRO A 65 5.551 -6.535 12.887 1.00 75.00 H new ATOM 0 HG2 PRO A 65 5.777 -5.814 10.344 1.00 75.00 H new ATOM 0 HG3 PRO A 65 5.666 -4.567 11.570 1.00 75.00 H new ATOM 0 HD2 PRO A 65 8.136 -5.568 10.117 1.00 75.00 H new ATOM 0 HD3 PRO A 65 7.675 -3.916 10.477 1.00 75.00 H new ATOM 1022 N SER A 66 9.489 -7.537 12.923 1.00 75.00 N ATOM 1023 CA SER A 66 10.450 -8.592 13.344 1.00 75.00 C ATOM 1024 C SER A 66 9.776 -9.968 13.601 1.00 75.00 C ATOM 1025 O SER A 66 10.344 -10.810 14.302 1.00 75.00 O ATOM 1026 CB SER A 66 11.258 -8.126 14.592 1.00 75.00 C ATOM 1027 OG SER A 66 11.939 -6.906 14.340 1.00 75.00 O ATOM 0 H SER A 66 9.671 -7.178 11.986 1.00 75.00 H new ATOM 0 HA SER A 66 11.135 -8.742 12.510 1.00 75.00 H new ATOM 0 HB2 SER A 66 10.583 -8.000 15.439 1.00 75.00 H new ATOM 0 HB3 SER A 66 11.978 -8.896 14.870 1.00 75.00 H new ATOM 0 HG SER A 66 11.288 -6.207 14.121 1.00 75.00 H new ATOM 1033 N SER A 67 8.589 -10.178 12.980 1.00 75.00 N ATOM 1034 CA SER A 67 7.728 -11.382 13.157 1.00 75.00 C ATOM 1035 C SER A 67 7.135 -11.457 14.589 1.00 75.00 C ATOM 1036 O SER A 67 6.577 -12.487 14.989 1.00 75.00 O ATOM 1037 CB SER A 67 8.468 -12.702 12.770 1.00 75.00 C ATOM 1038 OG SER A 67 7.576 -13.811 12.624 1.00 75.00 O ATOM 0 H SER A 67 8.192 -9.502 12.327 1.00 75.00 H new ATOM 0 HA SER A 67 6.894 -11.275 12.464 1.00 75.00 H new ATOM 0 HB2 SER A 67 9.009 -12.550 11.836 1.00 75.00 H new ATOM 0 HB3 SER A 67 9.210 -12.935 13.534 1.00 75.00 H new ATOM 0 HG SER A 67 6.652 -13.506 12.743 1.00 75.00 H new ATOM 1044 N ARG A 68 7.226 -10.344 15.334 1.00 75.00 N ATOM 1045 CA ARG A 68 6.687 -10.231 16.701 1.00 75.00 C ATOM 1046 C ARG A 68 5.196 -9.854 16.623 1.00 75.00 C ATOM 1047 O ARG A 68 4.352 -10.417 17.333 1.00 75.00 O ATOM 1048 CB ARG A 68 7.498 -9.164 17.503 1.00 75.00 C ATOM 1049 CG ARG A 68 7.288 -9.203 19.039 1.00 75.00 C ATOM 1050 CD ARG A 68 7.753 -10.535 19.662 1.00 75.00 C ATOM 1051 NE ARG A 68 7.604 -10.561 21.127 1.00 75.00 N ATOM 1052 CZ ARG A 68 7.728 -11.664 21.895 1.00 75.00 C ATOM 1053 NH1 ARG A 68 7.989 -12.860 21.348 1.00 75.00 N ATOM 1054 NH2 ARG A 68 7.618 -11.552 23.211 1.00 75.00 N ATOM 0 H ARG A 68 7.678 -9.491 15.004 1.00 75.00 H new ATOM 0 HA ARG A 68 6.780 -11.184 17.221 1.00 75.00 H new ATOM 0 HB2 ARG A 68 8.559 -9.301 17.292 1.00 75.00 H new ATOM 0 HB3 ARG A 68 7.226 -8.173 17.139 1.00 75.00 H new ATOM 0 HG2 ARG A 68 7.835 -8.380 19.499 1.00 75.00 H new ATOM 0 HG3 ARG A 68 6.232 -9.049 19.263 1.00 75.00 H new ATOM 0 HD2 ARG A 68 7.179 -11.354 19.228 1.00 75.00 H new ATOM 0 HD3 ARG A 68 8.798 -10.706 19.404 1.00 75.00 H new ATOM 0 HE ARG A 68 7.391 -9.680 21.596 1.00 75.00 H new ATOM 0 HH11 ARG A 68 8.097 -12.946 20.337 1.00 75.00 H new ATOM 0 HH12 ARG A 68 8.080 -13.684 21.943 1.00 75.00 H new ATOM 0 HH21 ARG A 68 7.442 -10.640 23.632 1.00 75.00 H new ATOM 0 HH22 ARG A 68 7.710 -12.378 23.803 1.00 75.00 H new ATOM 1068 N LEU A 69 4.887 -8.910 15.716 1.00 75.00 N ATOM 1069 CA LEU A 69 3.518 -8.396 15.505 1.00 75.00 C ATOM 1070 C LEU A 69 2.786 -9.181 14.386 1.00 75.00 C ATOM 1071 O LEU A 69 1.788 -8.699 13.834 1.00 75.00 O ATOM 1072 CB LEU A 69 3.581 -6.875 15.158 1.00 75.00 C ATOM 1073 CG LEU A 69 4.377 -5.954 16.143 1.00 75.00 C ATOM 1074 CD1 LEU A 69 4.305 -4.473 15.700 1.00 75.00 C ATOM 1075 CD2 LEU A 69 3.904 -6.130 17.604 1.00 75.00 C ATOM 0 H LEU A 69 5.581 -8.479 15.105 1.00 75.00 H new ATOM 0 HA LEU A 69 2.950 -8.534 16.425 1.00 75.00 H new ATOM 0 HB2 LEU A 69 4.022 -6.772 14.166 1.00 75.00 H new ATOM 0 HB3 LEU A 69 2.560 -6.500 15.094 1.00 75.00 H new ATOM 0 HG LEU A 69 5.422 -6.263 16.107 1.00 75.00 H new ATOM 0 HD11 LEU A 69 4.866 -3.856 16.402 1.00 75.00 H new ATOM 0 HD12 LEU A 69 4.734 -4.370 14.703 1.00 75.00 H new ATOM 0 HD13 LEU A 69 3.265 -4.149 15.683 1.00 75.00 H new ATOM 0 HD21 LEU A 69 4.481 -5.474 18.255 1.00 75.00 H new ATOM 0 HD22 LEU A 69 2.847 -5.875 17.677 1.00 75.00 H new ATOM 0 HD23 LEU A 69 4.050 -7.166 17.911 1.00 75.00 H new ATOM 1087 N THR A 70 3.274 -10.401 14.072 1.00 75.00 N ATOM 1088 CA THR A 70 2.689 -11.257 13.022 1.00 75.00 C ATOM 1089 C THR A 70 1.918 -12.433 13.654 1.00 75.00 C ATOM 1090 O THR A 70 2.518 -13.375 14.185 1.00 75.00 O ATOM 1091 CB THR A 70 3.788 -11.786 12.031 1.00 75.00 C ATOM 1092 OG1 THR A 70 4.778 -12.566 12.724 1.00 75.00 O ATOM 1093 CG2 THR A 70 4.488 -10.637 11.283 1.00 75.00 C ATOM 0 H THR A 70 4.081 -10.817 14.538 1.00 75.00 H new ATOM 0 HA THR A 70 1.991 -10.649 12.447 1.00 75.00 H new ATOM 0 HB THR A 70 3.273 -12.414 11.304 1.00 75.00 H new ATOM 0 HG1 THR A 70 4.349 -13.073 13.444 1.00 75.00 H new ATOM 0 HG21 THR A 70 5.240 -11.047 10.609 1.00 75.00 H new ATOM 0 HG22 THR A 70 3.752 -10.076 10.708 1.00 75.00 H new ATOM 0 HG23 THR A 70 4.968 -9.974 12.002 1.00 75.00 H new ATOM 1101 N TRP A 71 0.578 -12.355 13.607 1.00 75.00 N ATOM 1102 CA TRP A 71 -0.307 -13.394 14.147 1.00 75.00 C ATOM 1103 C TRP A 71 -0.543 -14.492 13.077 1.00 75.00 C ATOM 1104 O TRP A 71 0.142 -15.520 13.086 1.00 75.00 O ATOM 1105 CB TRP A 71 -1.628 -12.738 14.636 1.00 75.00 C ATOM 1106 CG TRP A 71 -2.608 -13.678 15.308 1.00 75.00 C ATOM 1107 CD1 TRP A 71 -3.766 -14.185 14.782 1.00 75.00 C ATOM 1108 CD2 TRP A 71 -2.514 -14.211 16.637 1.00 75.00 C ATOM 1109 NE1 TRP A 71 -4.388 -14.995 15.696 1.00 75.00 N ATOM 1110 CE2 TRP A 71 -3.643 -15.027 16.842 1.00 75.00 C ATOM 1111 CE3 TRP A 71 -1.584 -14.080 17.671 1.00 75.00 C ATOM 1112 CZ2 TRP A 71 -3.868 -15.705 18.035 1.00 75.00 C ATOM 1113 CZ3 TRP A 71 -1.806 -14.752 18.854 1.00 75.00 C ATOM 1114 CH2 TRP A 71 -2.940 -15.557 19.029 1.00 75.00 C ATOM 0 H TRP A 71 0.080 -11.568 13.192 1.00 75.00 H new ATOM 0 HA TRP A 71 0.154 -13.882 15.006 1.00 75.00 H new ATOM 0 HB2 TRP A 71 -1.380 -11.938 15.334 1.00 75.00 H new ATOM 0 HB3 TRP A 71 -2.122 -12.274 13.782 1.00 75.00 H new ATOM 0 HD1 TRP A 71 -4.136 -13.976 13.789 1.00 75.00 H new ATOM 0 HE1 TRP A 71 -5.265 -15.493 15.546 1.00 75.00 H new ATOM 0 HE3 TRP A 71 -0.706 -13.463 17.546 1.00 75.00 H new ATOM 0 HZ2 TRP A 71 -4.742 -16.325 18.172 1.00 75.00 H new ATOM 0 HZ3 TRP A 71 -1.094 -14.657 19.660 1.00 75.00 H new ATOM 0 HH2 TRP A 71 -3.084 -16.071 19.968 1.00 75.00 H new ATOM 1125 N ARG A 72 -1.462 -14.228 12.121 1.00 75.00 N ATOM 1126 CA ARG A 72 -1.888 -15.212 11.098 1.00 75.00 C ATOM 1127 C ARG A 72 -2.686 -14.511 9.971 1.00 75.00 C ATOM 1128 O ARG A 72 -3.826 -14.091 10.199 1.00 75.00 O ATOM 1129 CB ARG A 72 -2.758 -16.325 11.769 1.00 75.00 C ATOM 1130 CG ARG A 72 -3.343 -17.388 10.804 1.00 75.00 C ATOM 1131 CD ARG A 72 -4.379 -18.314 11.477 1.00 75.00 C ATOM 1132 NE ARG A 72 -3.792 -19.119 12.560 1.00 75.00 N ATOM 1133 CZ ARG A 72 -4.448 -19.574 13.648 1.00 75.00 C ATOM 1134 NH1 ARG A 72 -5.744 -19.308 13.838 1.00 75.00 N ATOM 1135 NH2 ARG A 72 -3.798 -20.320 14.534 1.00 75.00 N ATOM 0 H ARG A 72 -1.930 -13.326 12.036 1.00 75.00 H new ATOM 0 HA ARG A 72 -1.003 -15.669 10.656 1.00 75.00 H new ATOM 0 HB2 ARG A 72 -2.151 -16.834 12.518 1.00 75.00 H new ATOM 0 HB3 ARG A 72 -3.582 -15.847 12.298 1.00 75.00 H new ATOM 0 HG2 ARG A 72 -3.811 -16.884 9.958 1.00 75.00 H new ATOM 0 HG3 ARG A 72 -2.530 -17.993 10.404 1.00 75.00 H new ATOM 0 HD2 ARG A 72 -5.195 -17.712 11.877 1.00 75.00 H new ATOM 0 HD3 ARG A 72 -4.810 -18.978 10.727 1.00 75.00 H new ATOM 0 HE ARG A 72 -2.802 -19.354 12.481 1.00 75.00 H new ATOM 0 HH11 ARG A 72 -6.256 -18.751 13.154 1.00 75.00 H new ATOM 0 HH12 ARG A 72 -6.221 -19.662 14.667 1.00 75.00 H new ATOM 0 HH21 ARG A 72 -2.813 -20.543 14.388 1.00 75.00 H new ATOM 0 HH22 ARG A 72 -4.283 -20.670 15.360 1.00 75.00 H new ATOM 1149 N VAL A 73 -2.071 -14.354 8.769 1.00 75.00 N ATOM 1150 CA VAL A 73 -2.774 -13.896 7.535 1.00 75.00 C ATOM 1151 C VAL A 73 -2.292 -14.741 6.332 1.00 75.00 C ATOM 1152 O VAL A 73 -3.072 -15.491 5.733 1.00 75.00 O ATOM 1153 CB VAL A 73 -2.566 -12.357 7.201 1.00 75.00 C ATOM 1154 CG1 VAL A 73 -3.314 -11.954 5.899 1.00 75.00 C ATOM 1155 CG2 VAL A 73 -2.995 -11.446 8.373 1.00 50.00 C ATOM 0 H VAL A 73 -1.078 -14.540 8.626 1.00 75.00 H new ATOM 0 HA VAL A 73 -3.839 -14.031 7.723 1.00 75.00 H new ATOM 0 HB VAL A 73 -1.497 -12.213 7.043 1.00 75.00 H new ATOM 0 HG11 VAL A 73 -3.151 -10.895 5.699 1.00 75.00 H new ATOM 0 HG12 VAL A 73 -2.935 -12.544 5.064 1.00 75.00 H new ATOM 0 HG13 VAL A 73 -4.381 -12.141 6.020 1.00 75.00 H new ATOM 0 HG21 VAL A 73 -2.835 -10.403 8.100 1.00 50.00 H new ATOM 0 HG22 VAL A 73 -4.051 -11.607 8.591 1.00 50.00 H new ATOM 0 HG23 VAL A 73 -2.402 -11.685 9.256 1.00 50.00 H new ATOM 1165 N GLN A 74 -0.986 -14.627 6.008 1.00 75.00 N ATOM 1166 CA GLN A 74 -0.360 -15.354 4.878 1.00 75.00 C ATOM 1167 C GLN A 74 0.804 -16.232 5.374 1.00 75.00 C ATOM 1168 O GLN A 74 1.852 -16.355 4.720 1.00 75.00 O ATOM 1169 CB GLN A 74 0.105 -14.342 3.792 1.00 75.00 C ATOM 1170 CG GLN A 74 1.111 -13.263 4.263 1.00 75.00 C ATOM 1171 CD GLN A 74 1.609 -12.393 3.106 1.00 75.00 C ATOM 1172 OE1 GLN A 74 0.899 -12.184 2.138 1.00 75.00 O ATOM 1173 NE2 GLN A 74 2.826 -11.889 3.190 1.00 75.00 N ATOM 0 H GLN A 74 -0.336 -14.031 6.520 1.00 75.00 H new ATOM 0 HA GLN A 74 -1.097 -16.019 4.428 1.00 75.00 H new ATOM 0 HB2 GLN A 74 0.557 -14.900 2.972 1.00 75.00 H new ATOM 0 HB3 GLN A 74 -0.775 -13.840 3.389 1.00 75.00 H new ATOM 0 HG2 GLN A 74 0.638 -12.630 5.014 1.00 75.00 H new ATOM 0 HG3 GLN A 74 1.961 -13.747 4.744 1.00 75.00 H new ATOM 0 HE21 GLN A 74 3.401 -12.079 4.011 1.00 75.00 H new ATOM 0 HE22 GLN A 74 3.192 -11.310 2.434 1.00 75.00 H new ATOM 1182 N ARG A 75 0.586 -16.892 6.522 1.00 75.00 N ATOM 1183 CA ARG A 75 1.559 -17.824 7.116 1.00 75.00 C ATOM 1184 C ARG A 75 1.316 -19.231 6.526 1.00 75.00 C ATOM 1185 O ARG A 75 1.019 -20.200 7.236 1.00 75.00 O ATOM 1186 CB ARG A 75 1.429 -17.791 8.663 1.00 75.00 C ATOM 1187 CG ARG A 75 1.482 -16.377 9.296 1.00 75.00 C ATOM 1188 CD ARG A 75 2.763 -15.598 8.937 1.00 75.00 C ATOM 1189 NE ARG A 75 4.009 -16.284 9.359 1.00 75.00 N ATOM 1190 CZ ARG A 75 4.925 -15.772 10.214 1.00 75.00 C ATOM 1191 NH1 ARG A 75 4.755 -14.570 10.761 1.00 75.00 N ATOM 1192 NH2 ARG A 75 6.020 -16.458 10.501 1.00 75.00 N ATOM 0 H ARG A 75 -0.271 -16.795 7.066 1.00 75.00 H new ATOM 0 HA ARG A 75 2.582 -17.533 6.877 1.00 75.00 H new ATOM 0 HB2 ARG A 75 0.487 -18.263 8.943 1.00 75.00 H new ATOM 0 HB3 ARG A 75 2.228 -18.395 9.092 1.00 75.00 H new ATOM 0 HG2 ARG A 75 0.613 -15.806 8.967 1.00 75.00 H new ATOM 0 HG3 ARG A 75 1.412 -16.468 10.380 1.00 75.00 H new ATOM 0 HD2 ARG A 75 2.792 -15.439 7.859 1.00 75.00 H new ATOM 0 HD3 ARG A 75 2.723 -14.614 9.404 1.00 75.00 H new ATOM 0 HE ARG A 75 4.189 -17.212 8.976 1.00 75.00 H new ATOM 0 HH11 ARG A 75 3.925 -14.021 10.538 1.00 75.00 H new ATOM 0 HH12 ARG A 75 5.455 -14.198 11.403 1.00 75.00 H new ATOM 0 HH21 ARG A 75 6.174 -17.373 10.078 1.00 75.00 H new ATOM 0 HH22 ARG A 75 6.710 -16.071 11.145 1.00 75.00 H new ATOM 1206 N SER A 76 1.438 -19.297 5.194 1.00 75.00 N ATOM 1207 CA SER A 76 1.049 -20.452 4.379 1.00 75.00 C ATOM 1208 C SER A 76 2.203 -21.459 4.229 1.00 75.00 C ATOM 1209 O SER A 76 3.319 -21.227 4.720 1.00 75.00 O ATOM 1210 CB SER A 76 0.601 -19.921 2.998 1.00 75.00 C ATOM 1211 OG SER A 76 -0.423 -18.947 3.139 1.00 75.00 O ATOM 0 H SER A 76 1.819 -18.529 4.641 1.00 75.00 H new ATOM 0 HA SER A 76 0.235 -20.987 4.867 1.00 75.00 H new ATOM 0 HB2 SER A 76 1.454 -19.486 2.477 1.00 75.00 H new ATOM 0 HB3 SER A 76 0.241 -20.747 2.385 1.00 75.00 H new ATOM 0 HG SER A 76 -0.691 -18.623 2.254 1.00 75.00 H new ATOM 1217 N GLN A 77 1.917 -22.580 3.534 1.00 75.00 N ATOM 1218 CA GLN A 77 2.922 -23.610 3.214 1.00 75.00 C ATOM 1219 C GLN A 77 3.920 -23.055 2.173 1.00 75.00 C ATOM 1220 O GLN A 77 5.105 -23.390 2.187 1.00 75.00 O ATOM 1221 CB GLN A 77 2.224 -24.901 2.689 1.00 75.00 C ATOM 1222 CG GLN A 77 1.088 -25.446 3.584 1.00 75.00 C ATOM 1223 CD GLN A 77 1.490 -25.604 5.056 1.00 75.00 C ATOM 1224 OE1 GLN A 77 1.305 -24.698 5.870 1.00 75.00 O ATOM 1225 NE2 GLN A 77 2.069 -26.743 5.398 1.00 75.00 N ATOM 0 H GLN A 77 0.984 -22.794 3.181 1.00 75.00 H new ATOM 0 HA GLN A 77 3.473 -23.871 4.118 1.00 75.00 H new ATOM 0 HB2 GLN A 77 1.818 -24.698 1.698 1.00 75.00 H new ATOM 0 HB3 GLN A 77 2.977 -25.680 2.571 1.00 75.00 H new ATOM 0 HG2 GLN A 77 0.232 -24.775 3.520 1.00 75.00 H new ATOM 0 HG3 GLN A 77 0.765 -26.413 3.198 1.00 75.00 H new ATOM 0 HE21 GLN A 77 2.208 -27.474 4.700 1.00 75.00 H new ATOM 0 HE22 GLN A 77 2.377 -26.890 6.359 1.00 75.00 H new ATOM 1234 N ASN A 78 3.404 -22.201 1.278 1.00 75.00 N ATOM 1235 CA ASN A 78 4.222 -21.439 0.320 1.00 75.00 C ATOM 1236 C ASN A 78 4.160 -19.934 0.694 1.00 75.00 C ATOM 1237 O ASN A 78 3.089 -19.326 0.598 1.00 75.00 O ATOM 1238 CB ASN A 78 3.715 -21.664 -1.129 1.00 75.00 C ATOM 1239 CG ASN A 78 4.553 -20.908 -2.175 1.00 75.00 C ATOM 1240 OD1 ASN A 78 5.502 -21.448 -2.742 1.00 75.00 O ATOM 1241 ND2 ASN A 78 4.225 -19.650 -2.416 1.00 75.00 N ATOM 0 H ASN A 78 2.404 -22.018 1.197 1.00 75.00 H new ATOM 0 HA ASN A 78 5.255 -21.783 0.367 1.00 75.00 H new ATOM 0 HB2 ASN A 78 3.735 -22.730 -1.355 1.00 75.00 H new ATOM 0 HB3 ASN A 78 2.676 -21.342 -1.200 1.00 75.00 H new ATOM 0 HD21 ASN A 78 4.764 -19.102 -3.087 1.00 75.00 H new ATOM 0 HD22 ASN A 78 3.433 -19.228 -1.931 1.00 75.00 H new ATOM 1248 N PRO A 79 5.293 -19.313 1.149 1.00 75.00 N ATOM 1249 CA PRO A 79 5.363 -17.849 1.403 1.00 75.00 C ATOM 1250 C PRO A 79 5.329 -17.048 0.073 1.00 75.00 C ATOM 1251 O PRO A 79 6.032 -17.390 -0.888 1.00 75.00 O ATOM 1252 CB PRO A 79 6.707 -17.676 2.172 1.00 75.00 C ATOM 1253 CG PRO A 79 7.114 -19.073 2.567 1.00 75.00 C ATOM 1254 CD PRO A 79 6.582 -19.967 1.477 1.00 75.00 C ATOM 0 HA PRO A 79 4.516 -17.467 1.973 1.00 75.00 H new ATOM 0 HB2 PRO A 79 7.464 -17.207 1.543 1.00 75.00 H new ATOM 0 HB3 PRO A 79 6.581 -17.039 3.048 1.00 75.00 H new ATOM 0 HG2 PRO A 79 8.197 -19.158 2.651 1.00 75.00 H new ATOM 0 HG3 PRO A 79 6.697 -19.345 3.537 1.00 75.00 H new ATOM 0 HD2 PRO A 79 7.251 -20.006 0.617 1.00 75.00 H new ATOM 0 HD3 PRO A 79 6.444 -20.992 1.820 1.00 75.00 H new ATOM 1262 N LEU A 80 4.520 -15.979 0.049 1.00 75.00 N ATOM 1263 CA LEU A 80 4.141 -15.265 -1.183 1.00 75.00 C ATOM 1264 C LEU A 80 5.254 -14.310 -1.668 1.00 75.00 C ATOM 1265 O LEU A 80 5.416 -13.196 -1.140 1.00 75.00 O ATOM 1266 CB LEU A 80 2.800 -14.511 -0.933 1.00 75.00 C ATOM 1267 CG LEU A 80 1.613 -15.410 -0.449 1.00 75.00 C ATOM 1268 CD1 LEU A 80 0.358 -14.575 -0.128 1.00 75.00 C ATOM 1269 CD2 LEU A 80 1.296 -16.523 -1.467 1.00 75.00 C ATOM 0 H LEU A 80 4.105 -15.580 0.891 1.00 75.00 H new ATOM 0 HA LEU A 80 4.003 -15.990 -1.985 1.00 75.00 H new ATOM 0 HB2 LEU A 80 2.972 -13.732 -0.190 1.00 75.00 H new ATOM 0 HB3 LEU A 80 2.504 -14.012 -1.856 1.00 75.00 H new ATOM 0 HG LEU A 80 1.931 -15.889 0.477 1.00 75.00 H new ATOM 0 HD11 LEU A 80 -0.443 -15.235 0.204 1.00 75.00 H new ATOM 0 HD12 LEU A 80 0.589 -13.859 0.661 1.00 75.00 H new ATOM 0 HD13 LEU A 80 0.039 -14.039 -1.022 1.00 75.00 H new ATOM 0 HD21 LEU A 80 0.467 -17.128 -1.099 1.00 75.00 H new ATOM 0 HD22 LEU A 80 1.022 -16.075 -2.422 1.00 75.00 H new ATOM 0 HD23 LEU A 80 2.174 -17.154 -1.601 1.00 75.00 H new ATOM 1281 N LYS A 81 6.042 -14.775 -2.662 1.00 75.00 N ATOM 1282 CA LYS A 81 7.074 -13.957 -3.322 1.00 75.00 C ATOM 1283 C LYS A 81 6.430 -13.065 -4.393 1.00 75.00 C ATOM 1284 O LYS A 81 6.227 -13.497 -5.541 1.00 75.00 O ATOM 1285 CB LYS A 81 8.188 -14.821 -3.978 1.00 75.00 C ATOM 1286 CG LYS A 81 9.046 -15.636 -2.994 1.00 75.00 C ATOM 1287 CD LYS A 81 10.337 -16.201 -3.638 1.00 75.00 C ATOM 1288 CE LYS A 81 11.278 -15.100 -4.157 1.00 75.00 C ATOM 1289 NZ LYS A 81 12.565 -15.652 -4.674 1.00 75.00 N ATOM 0 H LYS A 81 5.978 -15.726 -3.026 1.00 75.00 H new ATOM 0 HA LYS A 81 7.539 -13.346 -2.548 1.00 75.00 H new ATOM 0 HB2 LYS A 81 7.724 -15.507 -4.686 1.00 75.00 H new ATOM 0 HB3 LYS A 81 8.844 -14.166 -4.552 1.00 75.00 H new ATOM 0 HG2 LYS A 81 9.316 -15.005 -2.147 1.00 75.00 H new ATOM 0 HG3 LYS A 81 8.452 -16.461 -2.600 1.00 75.00 H new ATOM 0 HD2 LYS A 81 10.867 -16.809 -2.905 1.00 75.00 H new ATOM 0 HD3 LYS A 81 10.067 -16.860 -4.463 1.00 75.00 H new ATOM 0 HE2 LYS A 81 10.779 -14.543 -4.950 1.00 75.00 H new ATOM 0 HE3 LYS A 81 11.485 -14.393 -3.353 1.00 75.00 H new ATOM 0 HZ1 LYS A 81 13.166 -14.873 -5.012 1.00 75.00 H new ATOM 0 HZ2 LYS A 81 13.055 -16.161 -3.911 1.00 75.00 H new ATOM 0 HZ3 LYS A 81 12.372 -16.306 -5.459 1.00 75.00 H new ATOM 1303 N ILE A 82 6.045 -11.846 -3.997 1.00 75.00 N ATOM 1304 CA ILE A 82 5.651 -10.807 -4.951 1.00 75.00 C ATOM 1305 C ILE A 82 6.909 -10.203 -5.610 1.00 75.00 C ATOM 1306 O ILE A 82 7.941 -10.015 -4.953 1.00 75.00 O ATOM 1307 CB ILE A 82 4.778 -9.675 -4.285 1.00 75.00 C ATOM 1308 CG1 ILE A 82 5.531 -8.992 -3.095 1.00 75.00 C ATOM 1309 CG2 ILE A 82 3.404 -10.238 -3.840 1.00 75.00 C ATOM 1310 CD1 ILE A 82 4.841 -7.760 -2.524 1.00 75.00 C ATOM 0 H ILE A 82 5.998 -11.556 -3.020 1.00 75.00 H new ATOM 0 HA ILE A 82 5.027 -11.277 -5.711 1.00 75.00 H new ATOM 0 HB ILE A 82 4.600 -8.903 -5.034 1.00 75.00 H new ATOM 0 HG12 ILE A 82 5.657 -9.723 -2.296 1.00 75.00 H new ATOM 0 HG13 ILE A 82 6.529 -8.710 -3.430 1.00 75.00 H new ATOM 0 HG21 ILE A 82 2.816 -9.442 -3.383 1.00 75.00 H new ATOM 0 HG22 ILE A 82 2.873 -10.629 -4.708 1.00 75.00 H new ATOM 0 HG23 ILE A 82 3.556 -11.039 -3.116 1.00 75.00 H new ATOM 0 HD11 ILE A 82 5.436 -7.356 -1.705 1.00 75.00 H new ATOM 0 HD12 ILE A 82 4.739 -7.006 -3.304 1.00 75.00 H new ATOM 0 HD13 ILE A 82 3.853 -8.035 -2.153 1.00 75.00 H new ATOM 1322 N ARG A 83 6.819 -9.940 -6.916 1.00 75.00 N ATOM 1323 CA ARG A 83 7.896 -9.295 -7.700 1.00 75.00 C ATOM 1324 C ARG A 83 7.470 -7.858 -8.072 1.00 75.00 C ATOM 1325 O ARG A 83 7.888 -7.322 -9.098 1.00 75.00 O ATOM 1326 CB ARG A 83 8.213 -10.154 -8.967 1.00 75.00 C ATOM 1327 CG ARG A 83 6.994 -10.464 -9.870 1.00 75.00 C ATOM 1328 CD ARG A 83 7.380 -11.206 -11.166 1.00 75.00 C ATOM 1329 NE ARG A 83 8.180 -10.351 -12.058 1.00 75.00 N ATOM 1330 CZ ARG A 83 8.966 -10.784 -13.067 1.00 75.00 C ATOM 1331 NH1 ARG A 83 9.094 -12.091 -13.343 1.00 75.00 N ATOM 1332 NH2 ARG A 83 9.621 -9.890 -13.807 1.00 75.00 N ATOM 0 H ARG A 83 5.994 -10.167 -7.471 1.00 75.00 H new ATOM 0 HA ARG A 83 8.808 -9.233 -7.106 1.00 75.00 H new ATOM 0 HB2 ARG A 83 8.964 -9.633 -9.562 1.00 75.00 H new ATOM 0 HB3 ARG A 83 8.658 -11.096 -8.647 1.00 75.00 H new ATOM 0 HG2 ARG A 83 6.279 -11.067 -9.311 1.00 75.00 H new ATOM 0 HG3 ARG A 83 6.492 -9.531 -10.127 1.00 75.00 H new ATOM 0 HD2 ARG A 83 7.945 -12.104 -10.918 1.00 75.00 H new ATOM 0 HD3 ARG A 83 6.477 -11.530 -11.684 1.00 75.00 H new ATOM 0 HE ARG A 83 8.137 -9.344 -11.900 1.00 75.00 H new ATOM 0 HH11 ARG A 83 8.592 -12.782 -12.785 1.00 75.00 H new ATOM 0 HH12 ARG A 83 9.694 -12.394 -14.110 1.00 75.00 H new ATOM 0 HH21 ARG A 83 9.525 -8.894 -13.608 1.00 75.00 H new ATOM 0 HH22 ARG A 83 10.219 -10.201 -14.573 1.00 75.00 H new ATOM 1346 N LEU A 84 6.687 -7.230 -7.169 1.00 75.00 N ATOM 1347 CA LEU A 84 6.041 -5.920 -7.398 1.00 75.00 C ATOM 1348 C LEU A 84 7.040 -4.765 -7.150 1.00 75.00 C ATOM 1349 O LEU A 84 6.935 -4.010 -6.172 1.00 75.00 O ATOM 1350 CB LEU A 84 4.768 -5.825 -6.492 1.00 75.00 C ATOM 1351 CG LEU A 84 3.717 -6.973 -6.693 1.00 75.00 C ATOM 1352 CD1 LEU A 84 2.543 -6.874 -5.691 1.00 75.00 C ATOM 1353 CD2 LEU A 84 3.215 -7.014 -8.148 1.00 75.00 C ATOM 0 H LEU A 84 6.483 -7.623 -6.250 1.00 75.00 H new ATOM 0 HA LEU A 84 5.728 -5.828 -8.438 1.00 75.00 H new ATOM 0 HB2 LEU A 84 5.084 -5.822 -5.449 1.00 75.00 H new ATOM 0 HB3 LEU A 84 4.279 -4.869 -6.680 1.00 75.00 H new ATOM 0 HG LEU A 84 4.226 -7.915 -6.486 1.00 75.00 H new ATOM 0 HD11 LEU A 84 1.842 -7.690 -5.870 1.00 75.00 H new ATOM 0 HD12 LEU A 84 2.927 -6.942 -4.673 1.00 75.00 H new ATOM 0 HD13 LEU A 84 2.031 -5.921 -5.823 1.00 75.00 H new ATOM 0 HD21 LEU A 84 2.488 -7.818 -8.260 1.00 75.00 H new ATOM 0 HD22 LEU A 84 2.745 -6.063 -8.398 1.00 75.00 H new ATOM 0 HD23 LEU A 84 4.056 -7.190 -8.818 1.00 75.00 H new ATOM 1365 N THR A 85 8.036 -4.672 -8.053 1.00 75.00 N ATOM 1366 CA THR A 85 9.101 -3.665 -8.019 1.00 75.00 C ATOM 1367 C THR A 85 8.948 -2.739 -9.248 1.00 75.00 C ATOM 1368 O THR A 85 9.659 -2.880 -10.246 1.00 75.00 O ATOM 1369 CB THR A 85 10.518 -4.354 -7.999 1.00 75.00 C ATOM 1370 OG1 THR A 85 10.648 -5.267 -9.106 1.00 75.00 O ATOM 1371 CG2 THR A 85 10.770 -5.130 -6.697 1.00 75.00 C ATOM 0 H THR A 85 8.119 -5.313 -8.842 1.00 75.00 H new ATOM 0 HA THR A 85 9.017 -3.071 -7.109 1.00 75.00 H new ATOM 0 HB THR A 85 11.254 -3.554 -8.075 1.00 75.00 H new ATOM 0 HG1 THR A 85 10.363 -4.823 -9.932 1.00 75.00 H new ATOM 0 HG21 THR A 85 11.759 -5.587 -6.731 1.00 75.00 H new ATOM 0 HG22 THR A 85 10.715 -4.447 -5.850 1.00 75.00 H new ATOM 0 HG23 THR A 85 10.015 -5.908 -6.585 1.00 75.00 H new ATOM 1379 N ARG A 86 7.969 -1.821 -9.184 1.00 75.00 N ATOM 1380 CA ARG A 86 7.612 -0.951 -10.327 1.00 75.00 C ATOM 1381 C ARG A 86 8.412 0.366 -10.294 1.00 75.00 C ATOM 1382 O ARG A 86 8.881 0.846 -11.335 1.00 75.00 O ATOM 1383 CB ARG A 86 6.090 -0.625 -10.313 1.00 75.00 C ATOM 1384 CG ARG A 86 5.619 0.159 -11.557 1.00 75.00 C ATOM 1385 CD ARG A 86 4.187 0.694 -11.437 1.00 75.00 C ATOM 1386 NE ARG A 86 3.744 1.346 -12.683 1.00 75.00 N ATOM 1387 CZ ARG A 86 3.650 2.666 -12.885 1.00 75.00 C ATOM 1388 NH1 ARG A 86 3.971 3.529 -11.925 1.00 75.00 N ATOM 1389 NH2 ARG A 86 3.252 3.117 -14.070 1.00 75.00 N ATOM 0 H ARG A 86 7.405 -1.659 -8.349 1.00 75.00 H new ATOM 0 HA ARG A 86 7.859 -1.493 -11.240 1.00 75.00 H new ATOM 0 HB2 ARG A 86 5.527 -1.556 -10.245 1.00 75.00 H new ATOM 0 HB3 ARG A 86 5.858 -0.046 -9.419 1.00 75.00 H new ATOM 0 HG2 ARG A 86 6.297 0.995 -11.728 1.00 75.00 H new ATOM 0 HG3 ARG A 86 5.684 -0.489 -12.431 1.00 75.00 H new ATOM 0 HD2 ARG A 86 3.511 -0.126 -11.195 1.00 75.00 H new ATOM 0 HD3 ARG A 86 4.132 1.406 -10.614 1.00 75.00 H new ATOM 0 HE ARG A 86 3.486 0.737 -13.460 1.00 75.00 H new ATOM 0 HH11 ARG A 86 4.294 3.188 -11.020 1.00 75.00 H new ATOM 0 HH12 ARG A 86 3.894 4.532 -12.094 1.00 75.00 H new ATOM 0 HH21 ARG A 86 3.022 2.459 -14.815 1.00 75.00 H new ATOM 0 HH22 ARG A 86 3.177 4.121 -14.235 1.00 75.00 H new ATOM 1403 N GLU A 87 8.557 0.927 -9.079 1.00 75.00 N ATOM 1404 CA GLU A 87 9.064 2.296 -8.849 1.00 75.00 C ATOM 1405 C GLU A 87 10.608 2.367 -8.965 1.00 75.00 C ATOM 1406 O GLU A 87 11.335 2.457 -7.962 1.00 75.00 O ATOM 1407 CB GLU A 87 8.541 2.805 -7.472 1.00 75.00 C ATOM 1408 CG GLU A 87 8.881 4.271 -7.121 1.00 75.00 C ATOM 1409 CD GLU A 87 8.138 4.775 -5.873 1.00 75.00 C ATOM 1410 OE1 GLU A 87 7.017 5.296 -6.023 1.00 75.00 O ATOM 1411 OE2 GLU A 87 8.665 4.642 -4.742 1.00 75.00 O ATOM 0 H GLU A 87 8.322 0.436 -8.216 1.00 75.00 H new ATOM 0 HA GLU A 87 8.685 2.957 -9.628 1.00 75.00 H new ATOM 0 HB2 GLU A 87 7.457 2.689 -7.451 1.00 75.00 H new ATOM 0 HB3 GLU A 87 8.946 2.161 -6.691 1.00 75.00 H new ATOM 0 HG2 GLU A 87 9.955 4.361 -6.959 1.00 75.00 H new ATOM 0 HG3 GLU A 87 8.632 4.909 -7.969 1.00 75.00 H new ATOM 1418 N ALA A 88 11.067 2.258 -10.220 1.00 75.00 N ATOM 1419 CA ALA A 88 12.455 2.465 -10.659 1.00 75.00 C ATOM 1420 C ALA A 88 12.488 2.296 -12.200 1.00 75.00 C ATOM 1421 O ALA A 88 13.165 1.391 -12.708 1.00 75.00 O ATOM 1422 CB ALA A 88 13.448 1.495 -9.958 1.00 75.00 C ATOM 0 H ALA A 88 10.451 2.011 -10.994 1.00 75.00 H new ATOM 0 HA ALA A 88 12.781 3.467 -10.379 1.00 75.00 H new ATOM 0 HB1 ALA A 88 14.459 1.688 -10.316 1.00 75.00 H new ATOM 0 HB2 ALA A 88 13.409 1.651 -8.880 1.00 75.00 H new ATOM 0 HB3 ALA A 88 13.173 0.465 -10.186 1.00 75.00 H new ATOM 1428 N PRO A 89 11.703 3.136 -12.979 1.00 75.00 N ATOM 1429 CA PRO A 89 11.586 2.983 -14.450 1.00 75.00 C ATOM 1430 C PRO A 89 12.916 3.336 -15.183 1.00 75.00 C ATOM 1431 O PRO A 89 13.669 2.405 -15.551 1.00 75.00 O ATOM 1432 CB PRO A 89 10.411 3.947 -14.833 1.00 75.00 C ATOM 1433 CG PRO A 89 9.761 4.322 -13.532 1.00 75.00 C ATOM 1434 CD PRO A 89 10.884 4.292 -12.518 1.00 75.00 C ATOM 1435 OXT PRO A 89 13.216 4.540 -15.358 1.00 75.00 O ATOM 0 HA PRO A 89 11.388 1.955 -14.752 1.00 75.00 H new ATOM 0 HB2 PRO A 89 10.781 4.829 -15.356 1.00 75.00 H new ATOM 0 HB3 PRO A 89 9.702 3.456 -15.499 1.00 75.00 H new ATOM 0 HG2 PRO A 89 9.304 5.310 -13.588 1.00 75.00 H new ATOM 0 HG3 PRO A 89 8.970 3.620 -13.268 1.00 75.00 H new ATOM 0 HD2 PRO A 89 11.456 5.220 -12.518 1.00 75.00 H new ATOM 0 HD3 PRO A 89 10.512 4.147 -11.504 1.00 75.00 H new TER 1443 PRO A 89