USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=21 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 29 LYS NZ :NH3+ -108:sc= 0.217 (180deg=0) USER MOD Set 1.2: A 32 TYR OH : rot 180:sc= 0.196 USER MOD Set 2.1: A 7 SER OG : rot 109:sc= 1.38 USER MOD Set 2.2: A 37 THR OG1 : rot 3:sc= 1.13 USER MOD Set 3.1: A 6 HIS : no HD1:sc= -0.118 K(o=-0.075,f=0.72) USER MOD Set 3.2: A 76 SER OG : rot 180:sc= 0.0427 USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ 146:sc= 0.00279 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.0278 X(o=-0.028,f=-0.12) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 5 HIS : no HE2:sc= -1.07 X(o=-1.1,f=-1.4) USER MOD Single : A 8 HIS : no HE2:sc= 0.0697 K(o=0.07,f=-0.7) USER MOD Single : A 9 MET CE :methyl -141:sc= 0 (180deg=-1.87!) USER MOD Single : A 13 THR OG1 : rot -110:sc= -0.277 USER MOD Single : A 19 HIS : no HE2:sc= 0.0619 K(o=0.062,f=-2.3!) USER MOD Single : A 20 GLN : amide:sc= 0.271 K(o=0.27,f=-4.4!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -0:sc= 1.26 USER MOD Single : A 40 THR OG1 : rot -12:sc= 0.53 USER MOD Single : A 43 LYS NZ :NH3+ 179:sc= -0.649 (180deg=-0.652) USER MOD Single : A 52 HIS : no HD1:sc=0.000769 K(o=0.00077,f=-1) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -65:sc= 0.221 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.22 K(o=-0.22,f=-1.6!) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 81 LYS NZ :NH3+ -170:sc=-0.00463 (180deg=-0.11) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -12.621 -17.663 11.587 1.00 75.00 N ATOM 2 CA HIS A 1 -12.029 -18.423 10.465 1.00 75.00 C ATOM 3 C HIS A 1 -10.541 -18.051 10.313 1.00 75.00 C ATOM 4 O HIS A 1 -10.185 -16.867 10.319 1.00 75.00 O ATOM 5 CB HIS A 1 -12.844 -18.189 9.152 1.00 75.00 C ATOM 6 CG HIS A 1 -13.013 -16.746 8.728 1.00 75.00 C ATOM 7 ND1 HIS A 1 -14.166 -16.017 8.951 1.00 75.00 N ATOM 8 CD2 HIS A 1 -12.183 -15.912 8.052 1.00 75.00 C ATOM 9 CE1 HIS A 1 -14.031 -14.814 8.429 1.00 75.00 C ATOM 10 NE2 HIS A 1 -12.841 -14.729 7.883 1.00 75.00 N ATOM 0 H1 HIS A 1 -13.613 -17.439 11.369 1.00 75.00 H new ATOM 0 H2 HIS A 1 -12.577 -18.235 12.455 1.00 75.00 H new ATOM 0 H3 HIS A 1 -12.089 -16.780 11.727 1.00 75.00 H new ATOM 0 HA HIS A 1 -12.081 -19.491 10.677 1.00 75.00 H new ATOM 0 HB2 HIS A 1 -12.355 -18.731 8.342 1.00 75.00 H new ATOM 0 HB3 HIS A 1 -13.833 -18.629 9.278 1.00 75.00 H new ATOM 0 HD2 HIS A 1 -11.185 -16.142 7.710 1.00 75.00 H new ATOM 0 HE1 HIS A 1 -14.774 -14.031 8.448 1.00 75.00 H new ATOM 0 HE2 HIS A 1 -12.467 -13.908 7.407 1.00 75.00 H new ATOM 21 N HIS A 2 -9.677 -19.073 10.199 1.00 75.00 N ATOM 22 CA HIS A 2 -8.217 -18.916 10.126 1.00 75.00 C ATOM 23 C HIS A 2 -7.687 -19.707 8.934 1.00 75.00 C ATOM 24 O HIS A 2 -8.136 -20.828 8.674 1.00 75.00 O ATOM 25 CB HIS A 2 -7.544 -19.398 11.450 1.00 75.00 C ATOM 26 CG HIS A 2 -6.034 -19.305 11.453 1.00 75.00 C ATOM 27 ND1 HIS A 2 -5.361 -18.122 11.661 1.00 75.00 N ATOM 28 CD2 HIS A 2 -5.072 -20.245 11.245 1.00 75.00 C ATOM 29 CE1 HIS A 2 -4.062 -18.335 11.582 1.00 75.00 C ATOM 30 NE2 HIS A 2 -3.862 -19.611 11.333 1.00 75.00 N ATOM 0 H HIS A 2 -9.979 -20.046 10.154 1.00 75.00 H new ATOM 0 HA HIS A 2 -7.975 -17.861 9.995 1.00 75.00 H new ATOM 0 HB2 HIS A 2 -7.934 -18.806 12.278 1.00 75.00 H new ATOM 0 HB3 HIS A 2 -7.833 -20.433 11.634 1.00 75.00 H new ATOM 0 HD2 HIS A 2 -5.233 -21.294 11.048 1.00 75.00 H new ATOM 0 HE1 HIS A 2 -3.292 -17.587 11.702 1.00 75.00 H new ATOM 0 HE2 HIS A 2 -2.951 -20.057 11.223 1.00 75.00 H new ATOM 39 N HIS A 3 -6.733 -19.108 8.205 1.00 75.00 N ATOM 40 CA HIS A 3 -6.055 -19.735 7.059 1.00 75.00 C ATOM 41 C HIS A 3 -4.548 -19.461 7.121 1.00 75.00 C ATOM 42 O HIS A 3 -4.097 -18.521 7.808 1.00 75.00 O ATOM 43 CB HIS A 3 -6.643 -19.221 5.717 1.00 75.00 C ATOM 44 CG HIS A 3 -8.086 -19.588 5.520 1.00 75.00 C ATOM 45 ND1 HIS A 3 -9.104 -18.664 5.439 1.00 75.00 N ATOM 46 CD2 HIS A 3 -8.683 -20.799 5.436 1.00 75.00 C ATOM 47 CE1 HIS A 3 -10.254 -19.292 5.324 1.00 75.00 C ATOM 48 NE2 HIS A 3 -10.025 -20.587 5.318 1.00 75.00 N ATOM 0 H HIS A 3 -6.406 -18.161 8.397 1.00 75.00 H new ATOM 0 HA HIS A 3 -6.220 -20.811 7.111 1.00 75.00 H new ATOM 0 HB2 HIS A 3 -6.543 -18.136 5.676 1.00 75.00 H new ATOM 0 HB3 HIS A 3 -6.057 -19.627 4.893 1.00 75.00 H new ATOM 0 HD2 HIS A 3 -8.187 -21.758 5.458 1.00 75.00 H new ATOM 0 HE1 HIS A 3 -11.224 -18.823 5.247 1.00 75.00 H new ATOM 0 HE2 HIS A 3 -10.735 -21.314 5.238 1.00 75.00 H new ATOM 57 N HIS A 4 -3.777 -20.305 6.408 1.00 75.00 N ATOM 58 CA HIS A 4 -2.338 -20.080 6.158 1.00 75.00 C ATOM 59 C HIS A 4 -2.167 -18.869 5.219 1.00 75.00 C ATOM 60 O HIS A 4 -3.129 -18.434 4.569 1.00 75.00 O ATOM 61 CB HIS A 4 -1.678 -21.328 5.502 1.00 75.00 C ATOM 62 CG HIS A 4 -1.845 -22.613 6.257 1.00 75.00 C ATOM 63 ND1 HIS A 4 -2.573 -23.678 5.774 1.00 75.00 N ATOM 64 CD2 HIS A 4 -1.332 -23.020 7.437 1.00 75.00 C ATOM 65 CE1 HIS A 4 -2.499 -24.678 6.620 1.00 75.00 C ATOM 66 NE2 HIS A 4 -1.749 -24.306 7.637 1.00 75.00 N ATOM 0 H HIS A 4 -4.134 -21.163 5.988 1.00 75.00 H new ATOM 0 HA HIS A 4 -1.850 -19.893 7.115 1.00 75.00 H new ATOM 0 HB2 HIS A 4 -2.095 -21.456 4.503 1.00 75.00 H new ATOM 0 HB3 HIS A 4 -0.612 -21.133 5.380 1.00 75.00 H new ATOM 0 HD2 HIS A 4 -0.708 -22.438 8.100 1.00 75.00 H new ATOM 0 HE1 HIS A 4 -2.972 -25.642 6.503 1.00 75.00 H new ATOM 0 HE2 HIS A 4 -1.517 -24.885 8.444 1.00 75.00 H new ATOM 75 N HIS A 5 -0.946 -18.325 5.152 1.00 75.00 N ATOM 76 CA HIS A 5 -0.606 -17.242 4.210 1.00 75.00 C ATOM 77 C HIS A 5 0.707 -17.579 3.499 1.00 75.00 C ATOM 78 O HIS A 5 0.711 -17.761 2.273 1.00 75.00 O ATOM 79 CB HIS A 5 -0.553 -15.861 4.935 1.00 75.00 C ATOM 80 CG HIS A 5 -1.909 -15.401 5.437 1.00 75.00 C ATOM 81 ND1 HIS A 5 -2.268 -15.395 6.769 1.00 75.00 N ATOM 82 CD2 HIS A 5 -3.004 -14.958 4.769 1.00 75.00 C ATOM 83 CE1 HIS A 5 -3.512 -14.977 6.888 1.00 75.00 C ATOM 84 NE2 HIS A 5 -3.976 -14.704 5.695 1.00 75.00 N ATOM 0 H HIS A 5 -0.168 -18.618 5.743 1.00 75.00 H new ATOM 0 HA HIS A 5 -1.388 -17.160 3.455 1.00 75.00 H new ATOM 0 HB2 HIS A 5 0.137 -15.925 5.776 1.00 75.00 H new ATOM 0 HB3 HIS A 5 -0.152 -15.113 4.251 1.00 75.00 H new ATOM 0 HD1 HIS A 5 -1.664 -15.672 7.543 1.00 75.00 H new ATOM 0 HD2 HIS A 5 -3.091 -14.830 3.700 1.00 75.00 H new ATOM 0 HE1 HIS A 5 -4.057 -14.877 7.815 1.00 75.00 H new ATOM 93 N HIS A 6 1.803 -17.684 4.285 1.00 75.00 N ATOM 94 CA HIS A 6 3.176 -17.910 3.758 1.00 75.00 C ATOM 95 C HIS A 6 3.571 -16.744 2.810 1.00 75.00 C ATOM 96 O HIS A 6 4.361 -16.889 1.874 1.00 75.00 O ATOM 97 CB HIS A 6 3.263 -19.323 3.091 1.00 75.00 C ATOM 98 CG HIS A 6 4.634 -19.752 2.641 1.00 75.00 C ATOM 99 ND1 HIS A 6 4.990 -19.848 1.311 1.00 75.00 N ATOM 100 CD2 HIS A 6 5.727 -20.130 3.345 1.00 75.00 C ATOM 101 CE1 HIS A 6 6.233 -20.267 1.221 1.00 75.00 C ATOM 102 NE2 HIS A 6 6.703 -20.444 2.439 1.00 75.00 N ATOM 0 H HIS A 6 1.765 -17.615 5.302 1.00 75.00 H new ATOM 0 HA HIS A 6 3.905 -17.909 4.569 1.00 75.00 H new ATOM 0 HB2 HIS A 6 2.886 -20.062 3.798 1.00 75.00 H new ATOM 0 HB3 HIS A 6 2.597 -19.338 2.228 1.00 75.00 H new ATOM 0 HD2 HIS A 6 5.812 -20.175 4.421 1.00 75.00 H new ATOM 0 HE1 HIS A 6 6.777 -20.437 0.304 1.00 75.00 H new ATOM 0 HE2 HIS A 6 7.644 -20.764 2.670 1.00 75.00 H new ATOM 111 N SER A 7 3.025 -15.565 3.133 1.00 75.00 N ATOM 112 CA SER A 7 3.121 -14.353 2.320 1.00 75.00 C ATOM 113 C SER A 7 4.231 -13.444 2.878 1.00 75.00 C ATOM 114 O SER A 7 4.877 -13.786 3.886 1.00 75.00 O ATOM 115 CB SER A 7 1.739 -13.653 2.353 1.00 75.00 C ATOM 116 OG SER A 7 1.654 -12.566 1.448 1.00 75.00 O ATOM 0 H SER A 7 2.491 -15.427 3.991 1.00 75.00 H new ATOM 0 HA SER A 7 3.381 -14.588 1.288 1.00 75.00 H new ATOM 0 HB2 SER A 7 0.962 -14.380 2.115 1.00 75.00 H new ATOM 0 HB3 SER A 7 1.542 -13.295 3.364 1.00 75.00 H new ATOM 0 HG SER A 7 1.060 -12.804 0.706 1.00 75.00 H new ATOM 122 N HIS A 8 4.451 -12.294 2.222 1.00 50.00 N ATOM 123 CA HIS A 8 5.446 -11.303 2.664 1.00 50.00 C ATOM 124 C HIS A 8 5.015 -10.703 4.030 1.00 50.00 C ATOM 125 O HIS A 8 3.821 -10.727 4.364 1.00 50.00 O ATOM 126 CB HIS A 8 5.628 -10.197 1.588 1.00 50.00 C ATOM 127 CG HIS A 8 6.847 -9.334 1.781 1.00 50.00 C ATOM 128 ND1 HIS A 8 6.805 -7.972 1.997 1.00 75.00 N ATOM 129 CD2 HIS A 8 8.165 -9.663 1.784 1.00 75.00 C ATOM 130 CE1 HIS A 8 8.036 -7.510 2.117 1.00 75.00 C ATOM 131 NE2 HIS A 8 8.869 -8.514 1.995 1.00 75.00 N ATOM 0 H HIS A 8 3.948 -12.026 1.376 1.00 50.00 H new ATOM 0 HA HIS A 8 6.411 -11.793 2.795 1.00 50.00 H new ATOM 0 HB2 HIS A 8 5.683 -10.668 0.607 1.00 50.00 H new ATOM 0 HB3 HIS A 8 4.744 -9.560 1.587 1.00 50.00 H new ATOM 0 HD1 HIS A 8 5.956 -7.410 2.055 1.00 75.00 H new ATOM 0 HD2 HIS A 8 8.579 -10.651 1.645 1.00 75.00 H new ATOM 0 HE1 HIS A 8 8.310 -6.479 2.287 1.00 75.00 H new ATOM 140 N MET A 9 6.005 -10.170 4.784 1.00 10.00 N ATOM 141 CA MET A 9 5.853 -9.726 6.190 1.00 10.00 C ATOM 142 C MET A 9 4.607 -8.828 6.412 1.00 10.00 C ATOM 143 O MET A 9 4.339 -7.921 5.613 1.00 50.00 O ATOM 144 CB MET A 9 7.143 -8.967 6.642 1.00 50.00 C ATOM 145 CG MET A 9 7.458 -7.673 5.864 1.00 50.00 C ATOM 146 SD MET A 9 8.920 -6.817 6.499 1.00 50.00 S ATOM 147 CE MET A 9 8.871 -5.290 5.556 1.00 75.00 C ATOM 0 H MET A 9 6.950 -10.034 4.425 1.00 10.00 H new ATOM 0 HA MET A 9 5.707 -10.621 6.795 1.00 10.00 H new ATOM 0 HB2 MET A 9 7.047 -8.720 7.699 1.00 50.00 H new ATOM 0 HB3 MET A 9 7.993 -9.643 6.548 1.00 50.00 H new ATOM 0 HG2 MET A 9 7.611 -7.914 4.812 1.00 50.00 H new ATOM 0 HG3 MET A 9 6.599 -7.004 5.916 1.00 50.00 H new ATOM 0 HE1 MET A 9 9.884 -5.005 5.273 1.00 75.00 H new ATOM 0 HE2 MET A 9 8.271 -5.436 4.658 1.00 75.00 H new ATOM 0 HE3 MET A 9 8.428 -4.501 6.164 1.00 75.00 H new ATOM 157 N VAL A 10 3.838 -9.135 7.475 1.00 10.00 N ATOM 158 CA VAL A 10 2.711 -8.297 7.912 1.00 10.00 C ATOM 159 C VAL A 10 3.278 -7.040 8.575 1.00 10.00 C ATOM 160 O VAL A 10 4.271 -7.118 9.313 1.00 50.00 O ATOM 161 CB VAL A 10 1.723 -9.065 8.881 1.00 50.00 C ATOM 162 CG1 VAL A 10 1.243 -10.370 8.223 1.00 50.00 C ATOM 163 CG2 VAL A 10 2.326 -9.341 10.286 1.00 50.00 C ATOM 0 H VAL A 10 3.981 -9.966 8.049 1.00 10.00 H new ATOM 0 HA VAL A 10 2.115 -8.025 7.041 1.00 10.00 H new ATOM 0 HB VAL A 10 0.870 -8.407 9.046 1.00 50.00 H new ATOM 0 HG11 VAL A 10 0.564 -10.890 8.899 1.00 50.00 H new ATOM 0 HG12 VAL A 10 0.723 -10.139 7.293 1.00 50.00 H new ATOM 0 HG13 VAL A 10 2.101 -11.007 8.010 1.00 50.00 H new ATOM 0 HG21 VAL A 10 1.595 -9.870 10.898 1.00 50.00 H new ATOM 0 HG22 VAL A 10 3.223 -9.951 10.183 1.00 50.00 H new ATOM 0 HG23 VAL A 10 2.583 -8.396 10.764 1.00 50.00 H new ATOM 173 N GLY A 11 2.691 -5.880 8.279 1.00 10.00 N ATOM 174 CA GLY A 11 3.259 -4.619 8.727 1.00 10.00 C ATOM 175 C GLY A 11 4.225 -4.026 7.716 1.00 10.00 C ATOM 176 O GLY A 11 4.967 -3.097 8.067 1.00 50.00 O ATOM 0 H GLY A 11 1.832 -5.792 7.736 1.00 10.00 H new ATOM 0 HA2 GLY A 11 2.454 -3.908 8.916 1.00 10.00 H new ATOM 0 HA3 GLY A 11 3.777 -4.773 9.673 1.00 10.00 H new ATOM 180 N ASP A 12 4.251 -4.599 6.477 1.00 10.00 N ATOM 181 CA ASP A 12 5.123 -4.131 5.378 1.00 10.00 C ATOM 182 C ASP A 12 4.823 -2.647 5.095 1.00 10.00 C ATOM 183 O ASP A 12 3.873 -2.326 4.385 1.00 50.00 O ATOM 184 CB ASP A 12 4.889 -5.002 4.093 1.00 50.00 C ATOM 185 CG ASP A 12 5.788 -4.686 2.869 1.00 50.00 C ATOM 186 OD1 ASP A 12 6.695 -3.823 2.951 1.00 50.00 O ATOM 187 OD2 ASP A 12 5.573 -5.303 1.798 1.00 50.00 O ATOM 0 H ASP A 12 3.667 -5.395 6.222 1.00 10.00 H new ATOM 0 HA ASP A 12 6.169 -4.234 5.668 1.00 10.00 H new ATOM 0 HB2 ASP A 12 5.032 -6.049 4.360 1.00 50.00 H new ATOM 0 HB3 ASP A 12 3.848 -4.890 3.790 1.00 50.00 H new ATOM 192 N THR A 13 5.648 -1.749 5.662 1.00 10.00 N ATOM 193 CA THR A 13 5.355 -0.321 5.678 1.00 10.00 C ATOM 194 C THR A 13 5.519 0.249 4.269 1.00 10.00 C ATOM 195 O THR A 13 6.585 0.144 3.675 1.00 50.00 O ATOM 196 CB THR A 13 6.267 0.431 6.682 1.00 50.00 C ATOM 197 OG1 THR A 13 6.160 -0.195 7.979 1.00 50.00 O ATOM 198 CG2 THR A 13 5.902 1.934 6.777 1.00 50.00 C ATOM 0 H THR A 13 6.527 -1.998 6.116 1.00 10.00 H new ATOM 0 HA THR A 13 4.325 -0.181 6.006 1.00 10.00 H new ATOM 0 HB THR A 13 7.295 0.372 6.325 1.00 50.00 H new ATOM 0 HG1 THR A 13 5.684 0.403 8.593 1.00 50.00 H new ATOM 0 HG21 THR A 13 6.564 2.425 7.491 1.00 50.00 H new ATOM 0 HG22 THR A 13 6.016 2.399 5.798 1.00 50.00 H new ATOM 0 HG23 THR A 13 4.869 2.037 7.110 1.00 50.00 H new ATOM 206 N VAL A 14 4.416 0.772 3.751 1.00 10.00 N ATOM 207 CA VAL A 14 4.280 1.288 2.396 1.00 10.00 C ATOM 208 C VAL A 14 3.529 2.629 2.424 1.00 10.00 C ATOM 209 O VAL A 14 2.969 3.048 3.461 1.00 50.00 O ATOM 210 CB VAL A 14 3.486 0.280 1.484 1.00 50.00 C ATOM 211 CG1 VAL A 14 4.263 -1.038 1.271 1.00 50.00 C ATOM 212 CG2 VAL A 14 2.070 0.016 2.060 1.00 50.00 C ATOM 0 H VAL A 14 3.553 0.852 4.288 1.00 10.00 H new ATOM 0 HA VAL A 14 5.280 1.424 1.985 1.00 10.00 H new ATOM 0 HB VAL A 14 3.372 0.742 0.503 1.00 50.00 H new ATOM 0 HG11 VAL A 14 3.680 -1.705 0.636 1.00 50.00 H new ATOM 0 HG12 VAL A 14 5.218 -0.824 0.792 1.00 50.00 H new ATOM 0 HG13 VAL A 14 4.440 -1.516 2.235 1.00 50.00 H new ATOM 0 HG21 VAL A 14 1.539 -0.683 1.414 1.00 50.00 H new ATOM 0 HG22 VAL A 14 2.157 -0.409 3.060 1.00 50.00 H new ATOM 0 HG23 VAL A 14 1.517 0.954 2.111 1.00 50.00 H new ATOM 222 N TRP A 15 3.514 3.286 1.268 1.00 10.00 N ATOM 223 CA TRP A 15 2.720 4.476 1.004 1.00 10.00 C ATOM 224 C TRP A 15 1.736 4.150 -0.116 1.00 10.00 C ATOM 225 O TRP A 15 2.084 3.423 -1.061 1.00 50.00 O ATOM 226 CB TRP A 15 3.635 5.669 0.605 1.00 50.00 C ATOM 227 CG TRP A 15 4.569 6.147 1.706 1.00 50.00 C ATOM 228 CD1 TRP A 15 4.421 5.965 3.055 1.00 50.00 C ATOM 229 CD2 TRP A 15 5.774 6.912 1.548 1.00 50.00 C ATOM 230 NE1 TRP A 15 5.458 6.544 3.729 1.00 50.00 N ATOM 231 CE2 TRP A 15 6.298 7.139 2.832 1.00 50.00 C ATOM 232 CE3 TRP A 15 6.459 7.426 0.447 1.00 50.00 C ATOM 233 CZ2 TRP A 15 7.468 7.853 3.046 1.00 50.00 C ATOM 234 CZ3 TRP A 15 7.625 8.138 0.661 1.00 50.00 C ATOM 235 CH2 TRP A 15 8.120 8.345 1.953 1.00 50.00 C ATOM 0 H TRP A 15 4.072 2.994 0.466 1.00 10.00 H new ATOM 0 HA TRP A 15 2.177 4.770 1.902 1.00 10.00 H new ATOM 0 HB2 TRP A 15 4.232 5.378 -0.259 1.00 50.00 H new ATOM 0 HB3 TRP A 15 3.007 6.503 0.292 1.00 50.00 H new ATOM 0 HD1 TRP A 15 3.601 5.438 3.520 1.00 50.00 H new ATOM 0 HE1 TRP A 15 5.585 6.534 4.741 1.00 50.00 H new ATOM 0 HE3 TRP A 15 6.086 7.271 -0.554 1.00 50.00 H new ATOM 0 HZ2 TRP A 15 7.850 8.014 4.043 1.00 50.00 H new ATOM 0 HZ3 TRP A 15 8.163 8.541 -0.184 1.00 50.00 H new ATOM 0 HH2 TRP A 15 9.034 8.904 2.088 1.00 50.00 H new ATOM 246 N VAL A 16 0.515 4.686 -0.004 1.00 10.00 N ATOM 247 CA VAL A 16 -0.547 4.514 -1.003 1.00 10.00 C ATOM 248 C VAL A 16 -0.701 5.851 -1.740 1.00 10.00 C ATOM 249 O VAL A 16 -1.127 6.863 -1.157 1.00 50.00 O ATOM 250 CB VAL A 16 -1.912 4.057 -0.352 1.00 50.00 C ATOM 251 CG1 VAL A 16 -3.046 3.959 -1.408 1.00 50.00 C ATOM 252 CG2 VAL A 16 -1.728 2.701 0.375 1.00 50.00 C ATOM 0 H VAL A 16 0.233 5.258 0.792 1.00 10.00 H new ATOM 0 HA VAL A 16 -0.273 3.720 -1.698 1.00 10.00 H new ATOM 0 HB VAL A 16 -2.206 4.814 0.375 1.00 50.00 H new ATOM 0 HG11 VAL A 16 -3.969 3.642 -0.922 1.00 50.00 H new ATOM 0 HG12 VAL A 16 -3.196 4.934 -1.872 1.00 50.00 H new ATOM 0 HG13 VAL A 16 -2.770 3.232 -2.172 1.00 50.00 H new ATOM 0 HG21 VAL A 16 -2.675 2.395 0.820 1.00 50.00 H new ATOM 0 HG22 VAL A 16 -1.403 1.946 -0.340 1.00 50.00 H new ATOM 0 HG23 VAL A 16 -0.977 2.807 1.158 1.00 50.00 H new ATOM 262 N ARG A 17 -0.269 5.839 -3.001 1.00 10.00 N ATOM 263 CA ARG A 17 -0.144 7.018 -3.857 1.00 10.00 C ATOM 264 C ARG A 17 -1.458 7.243 -4.641 1.00 10.00 C ATOM 265 O ARG A 17 -1.737 6.557 -5.631 1.00 50.00 O ATOM 266 CB ARG A 17 1.088 6.805 -4.780 1.00 50.00 C ATOM 267 CG ARG A 17 1.539 8.032 -5.582 1.00 50.00 C ATOM 268 CD ARG A 17 2.751 7.726 -6.484 1.00 50.00 C ATOM 269 NE ARG A 17 3.161 8.887 -7.292 1.00 50.00 N ATOM 270 CZ ARG A 17 3.648 8.817 -8.548 1.00 50.00 C ATOM 271 NH1 ARG A 17 3.787 7.639 -9.167 1.00 75.00 N ATOM 272 NH2 ARG A 17 3.999 9.928 -9.180 1.00 75.00 N ATOM 0 H ARG A 17 0.013 4.978 -3.470 1.00 10.00 H new ATOM 0 HA ARG A 17 0.018 7.923 -3.272 1.00 10.00 H new ATOM 0 HB2 ARG A 17 1.924 6.467 -4.167 1.00 50.00 H new ATOM 0 HB3 ARG A 17 0.860 6.001 -5.479 1.00 50.00 H new ATOM 0 HG2 ARG A 17 0.711 8.386 -6.197 1.00 50.00 H new ATOM 0 HG3 ARG A 17 1.794 8.839 -4.895 1.00 50.00 H new ATOM 0 HD2 ARG A 17 3.588 7.405 -5.865 1.00 50.00 H new ATOM 0 HD3 ARG A 17 2.507 6.895 -7.146 1.00 50.00 H new ATOM 0 HE ARG A 17 3.070 9.812 -6.871 1.00 50.00 H new ATOM 0 HH11 ARG A 17 3.523 6.777 -8.689 1.00 75.00 H new ATOM 0 HH12 ARG A 17 4.157 7.603 -10.117 1.00 75.00 H new ATOM 0 HH21 ARG A 17 3.900 10.831 -8.717 1.00 75.00 H new ATOM 0 HH22 ARG A 17 4.368 9.880 -10.130 1.00 75.00 H new ATOM 286 N ARG A 18 -2.270 8.185 -4.141 1.00 10.00 N ATOM 287 CA ARG A 18 -3.632 8.460 -4.634 1.00 10.00 C ATOM 288 C ARG A 18 -3.649 9.680 -5.585 1.00 10.00 C ATOM 289 O ARG A 18 -2.902 10.648 -5.384 1.00 50.00 O ATOM 290 CB ARG A 18 -4.560 8.710 -3.408 1.00 50.00 C ATOM 291 CG ARG A 18 -6.004 9.138 -3.753 1.00 50.00 C ATOM 292 CD ARG A 18 -6.877 9.379 -2.508 1.00 50.00 C ATOM 293 NE ARG A 18 -8.192 9.959 -2.854 1.00 75.00 N ATOM 294 CZ ARG A 18 -9.275 9.960 -2.051 1.00 75.00 C ATOM 295 NH1 ARG A 18 -9.240 9.406 -0.842 1.00 75.00 N ATOM 296 NH2 ARG A 18 -10.393 10.553 -2.454 1.00 75.00 N ATOM 0 H ARG A 18 -1.995 8.790 -3.367 1.00 10.00 H new ATOM 0 HA ARG A 18 -3.989 7.602 -5.204 1.00 10.00 H new ATOM 0 HB2 ARG A 18 -4.601 7.799 -2.812 1.00 50.00 H new ATOM 0 HB3 ARG A 18 -4.109 9.480 -2.782 1.00 50.00 H new ATOM 0 HG2 ARG A 18 -5.973 10.050 -4.350 1.00 50.00 H new ATOM 0 HG3 ARG A 18 -6.467 8.368 -4.370 1.00 50.00 H new ATOM 0 HD2 ARG A 18 -7.025 8.436 -1.981 1.00 50.00 H new ATOM 0 HD3 ARG A 18 -6.355 10.048 -1.824 1.00 50.00 H new ATOM 0 HE ARG A 18 -8.287 10.392 -3.772 1.00 75.00 H new ATOM 0 HH11 ARG A 18 -8.382 8.969 -0.506 1.00 75.00 H new ATOM 0 HH12 ARG A 18 -10.071 9.418 -0.251 1.00 75.00 H new ATOM 0 HH21 ARG A 18 -10.430 11.005 -3.368 1.00 75.00 H new ATOM 0 HH22 ARG A 18 -11.215 10.556 -1.850 1.00 75.00 H new ATOM 310 N HIS A 19 -4.513 9.615 -6.625 1.00 50.00 N ATOM 311 CA HIS A 19 -4.797 10.753 -7.531 1.00 50.00 C ATOM 312 C HIS A 19 -6.221 10.639 -8.102 1.00 50.00 C ATOM 313 O HIS A 19 -6.659 9.542 -8.471 1.00 75.00 O ATOM 314 CB HIS A 19 -3.754 10.865 -8.678 1.00 75.00 C ATOM 315 CG HIS A 19 -3.610 9.652 -9.571 1.00 75.00 C ATOM 316 ND1 HIS A 19 -3.700 9.722 -10.942 1.00 75.00 N ATOM 317 CD2 HIS A 19 -3.334 8.353 -9.288 1.00 75.00 C ATOM 318 CE1 HIS A 19 -3.498 8.534 -11.462 1.00 75.00 C ATOM 319 NE2 HIS A 19 -3.272 7.688 -10.480 1.00 75.00 N ATOM 0 H HIS A 19 -5.034 8.770 -6.860 1.00 50.00 H new ATOM 0 HA HIS A 19 -4.722 11.666 -6.941 1.00 50.00 H new ATOM 0 HB2 HIS A 19 -4.020 11.719 -9.301 1.00 75.00 H new ATOM 0 HB3 HIS A 19 -2.781 11.083 -8.237 1.00 75.00 H new ATOM 0 HD1 HIS A 19 -3.895 10.570 -11.474 1.00 75.00 H new ATOM 0 HD2 HIS A 19 -3.191 7.926 -8.306 1.00 75.00 H new ATOM 0 HE1 HIS A 19 -3.514 8.292 -12.515 1.00 75.00 H new ATOM 328 N GLN A 20 -6.931 11.781 -8.155 1.00 75.00 N ATOM 329 CA GLN A 20 -8.312 11.849 -8.667 1.00 75.00 C ATOM 330 C GLN A 20 -8.339 11.638 -10.191 1.00 75.00 C ATOM 331 O GLN A 20 -9.140 10.851 -10.709 1.00 75.00 O ATOM 332 CB GLN A 20 -8.962 13.210 -8.282 1.00 75.00 C ATOM 333 CG GLN A 20 -9.091 13.436 -6.757 1.00 75.00 C ATOM 334 CD GLN A 20 -9.964 12.392 -6.028 1.00 75.00 C ATOM 335 OE1 GLN A 20 -9.694 12.040 -4.876 1.00 75.00 O ATOM 336 NE2 GLN A 20 -11.046 11.929 -6.658 1.00 75.00 N ATOM 0 H GLN A 20 -6.564 12.681 -7.845 1.00 75.00 H new ATOM 0 HA GLN A 20 -8.893 11.049 -8.209 1.00 75.00 H new ATOM 0 HB2 GLN A 20 -8.369 14.018 -8.710 1.00 75.00 H new ATOM 0 HB3 GLN A 20 -9.953 13.268 -8.733 1.00 75.00 H new ATOM 0 HG2 GLN A 20 -8.094 13.430 -6.316 1.00 75.00 H new ATOM 0 HG3 GLN A 20 -9.510 14.427 -6.583 1.00 75.00 H new ATOM 0 HE21 GLN A 20 -11.251 12.233 -7.610 1.00 75.00 H new ATOM 0 HE22 GLN A 20 -11.668 11.272 -6.187 1.00 75.00 H new ATOM 345 N THR A 21 -7.458 12.362 -10.890 1.00 75.00 N ATOM 346 CA THR A 21 -7.217 12.202 -12.336 1.00 75.00 C ATOM 347 C THR A 21 -5.718 11.999 -12.576 1.00 75.00 C ATOM 348 O THR A 21 -4.902 12.262 -11.680 1.00 75.00 O ATOM 349 CB THR A 21 -7.709 13.453 -13.145 1.00 75.00 C ATOM 350 OG1 THR A 21 -7.092 14.646 -12.631 1.00 75.00 O ATOM 351 CG2 THR A 21 -9.239 13.607 -13.104 1.00 75.00 C ATOM 0 H THR A 21 -6.881 13.088 -10.464 1.00 75.00 H new ATOM 0 HA THR A 21 -7.780 11.335 -12.682 1.00 75.00 H new ATOM 0 HB THR A 21 -7.418 13.300 -14.184 1.00 75.00 H new ATOM 0 HG1 THR A 21 -7.403 15.422 -13.143 1.00 75.00 H new ATOM 0 HG21 THR A 21 -9.532 14.486 -13.678 1.00 75.00 H new ATOM 0 HG22 THR A 21 -9.706 12.721 -13.535 1.00 75.00 H new ATOM 0 HG23 THR A 21 -9.565 13.723 -12.071 1.00 75.00 H new ATOM 359 N LYS A 22 -5.362 11.527 -13.782 1.00 75.00 N ATOM 360 CA LYS A 22 -3.956 11.388 -14.205 1.00 75.00 C ATOM 361 C LYS A 22 -3.331 12.770 -14.488 1.00 75.00 C ATOM 362 O LYS A 22 -2.108 12.922 -14.435 1.00 75.00 O ATOM 363 CB LYS A 22 -3.825 10.490 -15.460 1.00 75.00 C ATOM 364 CG LYS A 22 -4.445 9.080 -15.326 1.00 75.00 C ATOM 365 CD LYS A 22 -4.179 8.197 -16.574 1.00 75.00 C ATOM 366 CE LYS A 22 -4.699 8.833 -17.883 1.00 75.00 C ATOM 367 NZ LYS A 22 -4.295 8.052 -19.085 1.00 75.00 N ATOM 0 H LYS A 22 -6.036 11.232 -14.489 1.00 75.00 H new ATOM 0 HA LYS A 22 -3.418 10.912 -13.385 1.00 75.00 H new ATOM 0 HB2 LYS A 22 -4.295 10.998 -16.302 1.00 75.00 H new ATOM 0 HB3 LYS A 22 -2.768 10.383 -15.702 1.00 75.00 H new ATOM 0 HG2 LYS A 22 -4.037 8.589 -14.443 1.00 75.00 H new ATOM 0 HG3 LYS A 22 -5.520 9.172 -15.171 1.00 75.00 H new ATOM 0 HD2 LYS A 22 -3.108 8.017 -16.664 1.00 75.00 H new ATOM 0 HD3 LYS A 22 -4.654 7.226 -16.434 1.00 75.00 H new ATOM 0 HE2 LYS A 22 -5.786 8.902 -17.845 1.00 75.00 H new ATOM 0 HE3 LYS A 22 -4.318 9.851 -17.967 1.00 75.00 H new ATOM 0 HZ1 LYS A 22 -4.665 8.514 -19.940 1.00 75.00 H new ATOM 0 HZ2 LYS A 22 -3.257 8.007 -19.137 1.00 75.00 H new ATOM 0 HZ3 LYS A 22 -4.680 7.088 -19.018 1.00 75.00 H new ATOM 381 N ASN A 23 -4.191 13.755 -14.825 1.00 75.00 N ATOM 382 CA ASN A 23 -3.780 15.166 -14.999 1.00 75.00 C ATOM 383 C ASN A 23 -3.275 15.753 -13.669 1.00 50.00 C ATOM 384 O ASN A 23 -2.323 16.540 -13.652 1.00 50.00 O ATOM 385 CB ASN A 23 -4.954 16.015 -15.584 1.00 50.00 C ATOM 386 CG ASN A 23 -5.280 15.684 -17.050 1.00 75.00 C ATOM 387 OD1 ASN A 23 -5.075 14.563 -17.518 1.00 75.00 O ATOM 388 ND2 ASN A 23 -5.781 16.658 -17.792 1.00 75.00 N ATOM 0 H ASN A 23 -5.186 13.596 -14.984 1.00 75.00 H new ATOM 0 HA ASN A 23 -2.957 15.200 -15.712 1.00 75.00 H new ATOM 0 HB2 ASN A 23 -5.845 15.855 -14.977 1.00 50.00 H new ATOM 0 HB3 ASN A 23 -4.701 17.072 -15.506 1.00 50.00 H new ATOM 0 HD21 ASN A 23 -6.006 16.488 -18.772 1.00 75.00 H new ATOM 0 HD22 ASN A 23 -5.943 17.579 -17.384 1.00 75.00 H new ATOM 395 N LEU A 24 -3.917 15.354 -12.556 1.00 10.00 N ATOM 396 CA LEU A 24 -3.441 15.691 -11.205 1.00 50.00 C ATOM 397 C LEU A 24 -2.291 14.746 -10.803 1.00 50.00 C ATOM 398 O LEU A 24 -2.407 13.518 -10.948 1.00 50.00 O ATOM 399 CB LEU A 24 -4.594 15.622 -10.171 1.00 50.00 C ATOM 400 CG LEU A 24 -5.743 16.660 -10.351 1.00 75.00 C ATOM 401 CD1 LEU A 24 -6.787 16.536 -9.224 1.00 75.00 C ATOM 402 CD2 LEU A 24 -5.187 18.095 -10.447 1.00 75.00 C ATOM 0 H LEU A 24 -4.770 14.795 -12.568 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.070 16.716 -11.216 1.00 50.00 H new ATOM 0 HB2 LEU A 24 -5.027 14.622 -10.207 1.00 50.00 H new ATOM 0 HB3 LEU A 24 -4.169 15.750 -9.175 1.00 50.00 H new ATOM 0 HG LEU A 24 -6.247 16.439 -11.292 1.00 75.00 H new ATOM 0 HD11 LEU A 24 -7.576 17.272 -9.376 1.00 75.00 H new ATOM 0 HD12 LEU A 24 -7.218 15.535 -9.236 1.00 75.00 H new ATOM 0 HD13 LEU A 24 -6.306 16.713 -8.262 1.00 75.00 H new ATOM 0 HD21 LEU A 24 -6.011 18.797 -10.572 1.00 75.00 H new ATOM 0 HD22 LEU A 24 -4.641 18.335 -9.535 1.00 75.00 H new ATOM 0 HD23 LEU A 24 -4.515 18.168 -11.302 1.00 75.00 H new ATOM 414 N GLU A 25 -1.187 15.338 -10.325 1.00 50.00 N ATOM 415 CA GLU A 25 0.008 14.598 -9.898 1.00 10.00 C ATOM 416 C GLU A 25 -0.306 13.774 -8.620 1.00 10.00 C ATOM 417 O GLU A 25 -0.858 14.329 -7.655 1.00 50.00 O ATOM 418 CB GLU A 25 1.181 15.581 -9.654 1.00 50.00 C ATOM 419 CG GLU A 25 1.489 16.506 -10.856 1.00 50.00 C ATOM 420 CD GLU A 25 2.655 17.470 -10.589 1.00 75.00 C ATOM 421 OE1 GLU A 25 2.440 18.492 -9.900 1.00 75.00 O ATOM 422 OE2 GLU A 25 3.792 17.201 -11.038 1.00 75.00 O ATOM 0 H GLU A 25 -1.098 16.349 -10.223 1.00 50.00 H new ATOM 0 HA GLU A 25 0.303 13.905 -10.685 1.00 10.00 H new ATOM 0 HB2 GLU A 25 0.950 16.197 -8.785 1.00 50.00 H new ATOM 0 HB3 GLU A 25 2.076 15.009 -9.411 1.00 50.00 H new ATOM 0 HG2 GLU A 25 1.723 15.894 -11.727 1.00 50.00 H new ATOM 0 HG3 GLU A 25 0.597 17.083 -11.101 1.00 50.00 H new ATOM 429 N PRO A 26 0.042 12.444 -8.593 1.00 10.00 N ATOM 430 CA PRO A 26 -0.354 11.530 -7.506 1.00 50.00 C ATOM 431 C PRO A 26 0.405 11.815 -6.201 1.00 10.00 C ATOM 432 O PRO A 26 1.641 11.828 -6.186 1.00 50.00 O ATOM 433 CB PRO A 26 -0.033 10.111 -8.070 1.00 50.00 C ATOM 434 CG PRO A 26 0.331 10.321 -9.512 1.00 50.00 C ATOM 435 CD PRO A 26 0.863 11.728 -9.598 1.00 50.00 C ATOM 0 HA PRO A 26 -1.404 11.643 -7.236 1.00 50.00 H new ATOM 0 HB2 PRO A 26 0.788 9.648 -7.522 1.00 50.00 H new ATOM 0 HB3 PRO A 26 -0.893 9.448 -7.976 1.00 50.00 H new ATOM 0 HG2 PRO A 26 1.080 9.599 -9.836 1.00 50.00 H new ATOM 0 HG3 PRO A 26 -0.537 10.191 -10.158 1.00 50.00 H new ATOM 0 HD2 PRO A 26 1.926 11.775 -9.361 1.00 50.00 H new ATOM 0 HD3 PRO A 26 0.740 12.148 -10.596 1.00 50.00 H new ATOM 443 N ARG A 27 -0.351 12.070 -5.127 1.00 10.00 N ATOM 444 CA ARG A 27 0.200 12.334 -3.791 1.00 10.00 C ATOM 445 C ARG A 27 0.103 11.057 -2.943 1.00 10.00 C ATOM 446 O ARG A 27 -0.980 10.478 -2.808 1.00 50.00 O ATOM 447 CB ARG A 27 -0.565 13.503 -3.102 1.00 50.00 C ATOM 448 CG ARG A 27 -0.017 13.880 -1.704 1.00 50.00 C ATOM 449 CD ARG A 27 -0.804 15.011 -1.011 1.00 50.00 C ATOM 450 NE ARG A 27 -0.252 15.309 0.322 1.00 50.00 N ATOM 451 CZ ARG A 27 -0.695 16.266 1.155 1.00 75.00 C ATOM 452 NH1 ARG A 27 -1.713 17.059 0.817 1.00 75.00 N ATOM 453 NH2 ARG A 27 -0.119 16.416 2.338 1.00 75.00 N ATOM 0 H ARG A 27 -1.370 12.099 -5.160 1.00 10.00 H new ATOM 0 HA ARG A 27 1.245 12.627 -3.887 1.00 10.00 H new ATOM 0 HB2 ARG A 27 -0.522 14.381 -3.746 1.00 50.00 H new ATOM 0 HB3 ARG A 27 -1.616 13.229 -3.007 1.00 50.00 H new ATOM 0 HG2 ARG A 27 -0.033 12.996 -1.067 1.00 50.00 H new ATOM 0 HG3 ARG A 27 1.025 14.183 -1.802 1.00 50.00 H new ATOM 0 HD2 ARG A 27 -0.774 15.909 -1.628 1.00 50.00 H new ATOM 0 HD3 ARG A 27 -1.851 14.724 -0.917 1.00 50.00 H new ATOM 0 HE ARG A 27 0.533 14.741 0.640 1.00 50.00 H new ATOM 0 HH11 ARG A 27 -2.170 16.945 -0.088 1.00 75.00 H new ATOM 0 HH12 ARG A 27 -2.035 17.780 1.463 1.00 75.00 H new ATOM 0 HH21 ARG A 27 0.654 15.808 2.610 1.00 75.00 H new ATOM 0 HH22 ARG A 27 -0.448 17.139 2.977 1.00 75.00 H new ATOM 467 N TRP A 28 1.245 10.627 -2.387 1.00 10.00 N ATOM 468 CA TRP A 28 1.316 9.468 -1.482 1.00 10.00 C ATOM 469 C TRP A 28 0.686 9.794 -0.117 1.00 10.00 C ATOM 470 O TRP A 28 0.548 10.966 0.253 1.00 50.00 O ATOM 471 CB TRP A 28 2.790 9.008 -1.300 1.00 50.00 C ATOM 472 CG TRP A 28 3.713 10.049 -0.682 1.00 50.00 C ATOM 473 CD1 TRP A 28 4.437 11.001 -1.345 1.00 50.00 C ATOM 474 CD2 TRP A 28 4.013 10.236 0.720 1.00 50.00 C ATOM 475 NE1 TRP A 28 5.172 11.745 -0.458 1.00 50.00 N ATOM 476 CE2 TRP A 28 4.925 11.303 0.811 1.00 50.00 C ATOM 477 CE3 TRP A 28 3.597 9.610 1.898 1.00 50.00 C ATOM 478 CZ2 TRP A 28 5.432 11.747 2.025 1.00 50.00 C ATOM 479 CZ3 TRP A 28 4.097 10.051 3.107 1.00 50.00 C ATOM 480 CH2 TRP A 28 5.007 11.111 3.164 1.00 50.00 C ATOM 0 H TRP A 28 2.147 11.073 -2.552 1.00 10.00 H new ATOM 0 HA TRP A 28 0.749 8.654 -1.933 1.00 10.00 H new ATOM 0 HB2 TRP A 28 2.802 8.115 -0.675 1.00 50.00 H new ATOM 0 HB3 TRP A 28 3.189 8.721 -2.273 1.00 50.00 H new ATOM 0 HD1 TRP A 28 4.431 11.146 -2.415 1.00 50.00 H new ATOM 0 HE1 TRP A 28 5.803 12.507 -0.706 1.00 50.00 H new ATOM 0 HE3 TRP A 28 2.893 8.792 1.863 1.00 50.00 H new ATOM 0 HZ2 TRP A 28 6.136 12.564 2.071 1.00 50.00 H new ATOM 0 HZ3 TRP A 28 3.781 9.571 4.021 1.00 50.00 H new ATOM 0 HH2 TRP A 28 5.383 11.435 4.123 1.00 50.00 H new ATOM 491 N LYS A 29 0.289 8.746 0.610 1.00 10.00 N ATOM 492 CA LYS A 29 -0.099 8.834 2.032 1.00 10.00 C ATOM 493 C LYS A 29 0.576 7.696 2.800 1.00 10.00 C ATOM 494 O LYS A 29 0.794 6.621 2.239 1.00 50.00 O ATOM 495 CB LYS A 29 -1.634 8.742 2.215 1.00 50.00 C ATOM 496 CG LYS A 29 -2.457 9.840 1.506 1.00 50.00 C ATOM 497 CD LYS A 29 -3.965 9.721 1.827 1.00 50.00 C ATOM 498 CE LYS A 29 -4.575 8.390 1.343 1.00 50.00 C ATOM 499 NZ LYS A 29 -5.931 8.169 1.922 1.00 75.00 N ATOM 0 H LYS A 29 0.225 7.801 0.230 1.00 10.00 H new ATOM 0 HA LYS A 29 0.223 9.802 2.417 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -1.968 7.770 1.851 1.00 50.00 H new ATOM 0 HB3 LYS A 29 -1.858 8.777 3.281 1.00 50.00 H new ATOM 0 HG2 LYS A 29 -2.096 10.821 1.814 1.00 50.00 H new ATOM 0 HG3 LYS A 29 -2.307 9.768 0.429 1.00 50.00 H new ATOM 0 HD2 LYS A 29 -4.111 9.812 2.903 1.00 50.00 H new ATOM 0 HD3 LYS A 29 -4.498 10.550 1.361 1.00 50.00 H new ATOM 0 HE2 LYS A 29 -4.639 8.392 0.255 1.00 50.00 H new ATOM 0 HE3 LYS A 29 -3.920 7.565 1.623 1.00 50.00 H new ATOM 0 HZ1 LYS A 29 -5.885 7.414 2.636 1.00 75.00 H new ATOM 0 HZ2 LYS A 29 -6.266 9.047 2.367 1.00 75.00 H new ATOM 0 HZ3 LYS A 29 -6.590 7.891 1.167 1.00 75.00 H new ATOM 513 N GLY A 30 0.890 7.927 4.084 1.00 10.00 N ATOM 514 CA GLY A 30 1.564 6.932 4.907 1.00 10.00 C ATOM 515 C GLY A 30 1.492 7.249 6.404 1.00 10.00 C ATOM 516 O GLY A 30 0.940 8.285 6.787 1.00 50.00 O ATOM 0 H GLY A 30 0.684 8.800 4.569 1.00 10.00 H new ATOM 0 HA2 GLY A 30 1.117 5.955 4.726 1.00 10.00 H new ATOM 0 HA3 GLY A 30 2.609 6.865 4.605 1.00 10.00 H new ATOM 520 N PRO A 31 2.033 6.352 7.293 1.00 10.00 N ATOM 521 CA PRO A 31 2.661 5.072 6.904 1.00 10.00 C ATOM 522 C PRO A 31 1.651 3.887 6.930 1.00 10.00 C ATOM 523 O PRO A 31 1.267 3.397 8.005 1.00 50.00 O ATOM 524 CB PRO A 31 3.772 4.931 7.978 1.00 50.00 C ATOM 525 CG PRO A 31 3.228 5.621 9.216 1.00 50.00 C ATOM 526 CD PRO A 31 2.083 6.533 8.765 1.00 50.00 C ATOM 0 HA PRO A 31 3.037 5.057 5.881 1.00 10.00 H new ATOM 0 HB2 PRO A 31 3.994 3.883 8.178 1.00 50.00 H new ATOM 0 HB3 PRO A 31 4.700 5.395 7.646 1.00 50.00 H new ATOM 0 HG2 PRO A 31 2.872 4.887 9.939 1.00 50.00 H new ATOM 0 HG3 PRO A 31 4.010 6.200 9.707 1.00 50.00 H new ATOM 0 HD2 PRO A 31 1.140 6.250 9.233 1.00 50.00 H new ATOM 0 HD3 PRO A 31 2.273 7.573 9.032 1.00 50.00 H new ATOM 534 N TYR A 32 1.215 3.446 5.732 1.00 10.00 N ATOM 535 CA TYR A 32 0.348 2.256 5.581 1.00 10.00 C ATOM 536 C TYR A 32 1.195 1.005 5.795 1.00 10.00 C ATOM 537 O TYR A 32 2.416 1.080 5.745 1.00 50.00 O ATOM 538 CB TYR A 32 -0.336 2.240 4.188 1.00 50.00 C ATOM 539 CG TYR A 32 -1.456 3.268 4.018 1.00 50.00 C ATOM 540 CD1 TYR A 32 -1.178 4.621 3.875 1.00 50.00 C ATOM 541 CD2 TYR A 32 -2.803 2.879 4.016 1.00 50.00 C ATOM 542 CE1 TYR A 32 -2.187 5.545 3.729 1.00 50.00 C ATOM 543 CE2 TYR A 32 -3.816 3.806 3.868 1.00 50.00 C ATOM 544 CZ TYR A 32 -3.502 5.142 3.730 1.00 50.00 C ATOM 545 OH TYR A 32 -4.504 6.078 3.588 1.00 50.00 O ATOM 0 H TYR A 32 1.450 3.899 4.849 1.00 10.00 H new ATOM 0 HA TYR A 32 -0.448 2.286 6.326 1.00 10.00 H new ATOM 0 HB2 TYR A 32 0.421 2.417 3.424 1.00 50.00 H new ATOM 0 HB3 TYR A 32 -0.743 1.245 4.009 1.00 50.00 H new ATOM 0 HD1 TYR A 32 -0.151 4.954 3.878 1.00 50.00 H new ATOM 0 HD2 TYR A 32 -3.053 1.835 4.132 1.00 50.00 H new ATOM 0 HE1 TYR A 32 -1.945 6.591 3.613 1.00 50.00 H new ATOM 0 HE2 TYR A 32 -4.848 3.487 3.860 1.00 50.00 H new ATOM 0 HH TYR A 32 -5.375 5.630 3.608 1.00 50.00 H new ATOM 555 N THR A 33 0.556 -0.138 6.081 1.00 10.00 N ATOM 556 CA THR A 33 1.274 -1.389 6.392 1.00 10.00 C ATOM 557 C THR A 33 0.547 -2.591 5.768 1.00 10.00 C ATOM 558 O THR A 33 -0.559 -2.933 6.187 1.00 50.00 O ATOM 559 CB THR A 33 1.411 -1.580 7.952 1.00 50.00 C ATOM 560 OG1 THR A 33 0.125 -1.558 8.584 1.00 50.00 O ATOM 561 CG2 THR A 33 2.304 -0.513 8.600 1.00 50.00 C ATOM 0 H THR A 33 -0.460 -0.225 6.104 1.00 10.00 H new ATOM 0 HA THR A 33 2.275 -1.326 5.965 1.00 10.00 H new ATOM 0 HB THR A 33 1.881 -2.552 8.099 1.00 50.00 H new ATOM 0 HG1 THR A 33 0.233 -1.680 9.550 1.00 50.00 H new ATOM 0 HG21 THR A 33 2.364 -0.692 9.674 1.00 50.00 H new ATOM 0 HG22 THR A 33 3.303 -0.563 8.168 1.00 50.00 H new ATOM 0 HG23 THR A 33 1.880 0.475 8.420 1.00 50.00 H new ATOM 569 N VAL A 34 1.178 -3.225 4.759 1.00 10.00 N ATOM 570 CA VAL A 34 0.624 -4.397 4.068 1.00 10.00 C ATOM 571 C VAL A 34 0.599 -5.609 5.021 1.00 10.00 C ATOM 572 O VAL A 34 1.625 -5.961 5.635 1.00 50.00 O ATOM 573 CB VAL A 34 1.414 -4.757 2.751 1.00 50.00 C ATOM 574 CG1 VAL A 34 0.715 -5.874 1.957 1.00 50.00 C ATOM 575 CG2 VAL A 34 1.629 -3.520 1.857 1.00 50.00 C ATOM 0 H VAL A 34 2.088 -2.934 4.403 1.00 10.00 H new ATOM 0 HA VAL A 34 -0.393 -4.142 3.769 1.00 10.00 H new ATOM 0 HB VAL A 34 2.392 -5.122 3.064 1.00 50.00 H new ATOM 0 HG11 VAL A 34 1.289 -6.094 1.057 1.00 50.00 H new ATOM 0 HG12 VAL A 34 0.648 -6.771 2.573 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -0.287 -5.549 1.678 1.00 50.00 H new ATOM 0 HG21 VAL A 34 2.177 -3.810 0.960 1.00 50.00 H new ATOM 0 HG22 VAL A 34 0.662 -3.104 1.573 1.00 50.00 H new ATOM 0 HG23 VAL A 34 2.200 -2.770 2.404 1.00 50.00 H new ATOM 585 N LEU A 35 -0.603 -6.186 5.176 1.00 10.00 N ATOM 586 CA LEU A 35 -0.872 -7.337 6.059 1.00 10.00 C ATOM 587 C LEU A 35 -0.901 -8.655 5.253 1.00 10.00 C ATOM 588 O LEU A 35 -0.746 -9.744 5.817 1.00 50.00 O ATOM 589 CB LEU A 35 -2.222 -7.096 6.792 1.00 50.00 C ATOM 590 CG LEU A 35 -2.356 -5.711 7.511 1.00 50.00 C ATOM 591 CD1 LEU A 35 -3.724 -5.559 8.207 1.00 50.00 C ATOM 592 CD2 LEU A 35 -1.187 -5.467 8.492 1.00 50.00 C ATOM 0 H LEU A 35 -1.434 -5.860 4.682 1.00 10.00 H new ATOM 0 HA LEU A 35 -0.073 -7.430 6.795 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.031 -7.191 6.068 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -2.361 -7.885 7.531 1.00 50.00 H new ATOM 0 HG LEU A 35 -2.301 -4.941 6.742 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -3.778 -4.585 8.694 1.00 50.00 H new ATOM 0 HD12 LEU A 35 -4.520 -5.639 7.467 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -3.842 -6.345 8.953 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -1.312 -4.497 8.973 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -1.179 -6.250 9.250 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -0.244 -5.482 7.945 1.00 50.00 H new ATOM 604 N LEU A 36 -1.118 -8.541 3.932 1.00 10.00 N ATOM 605 CA LEU A 36 -1.088 -9.681 2.997 1.00 10.00 C ATOM 606 C LEU A 36 -0.721 -9.188 1.590 1.00 10.00 C ATOM 607 O LEU A 36 -1.259 -8.184 1.121 1.00 50.00 O ATOM 608 CB LEU A 36 -2.479 -10.385 2.966 1.00 50.00 C ATOM 609 CG LEU A 36 -2.679 -11.524 1.910 1.00 50.00 C ATOM 610 CD1 LEU A 36 -1.770 -12.729 2.193 1.00 50.00 C ATOM 611 CD2 LEU A 36 -4.159 -11.947 1.812 1.00 50.00 C ATOM 0 H LEU A 36 -1.321 -7.650 3.479 1.00 10.00 H new ATOM 0 HA LEU A 36 -0.338 -10.397 3.334 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.668 -10.803 3.955 1.00 50.00 H new ATOM 0 HB3 LEU A 36 -3.239 -9.624 2.791 1.00 50.00 H new ATOM 0 HG LEU A 36 -2.387 -11.120 0.941 1.00 50.00 H new ATOM 0 HD11 LEU A 36 -1.939 -13.497 1.438 1.00 50.00 H new ATOM 0 HD12 LEU A 36 -0.727 -12.413 2.162 1.00 50.00 H new ATOM 0 HD13 LEU A 36 -1.998 -13.133 3.179 1.00 50.00 H new ATOM 0 HD21 LEU A 36 -4.263 -12.739 1.070 1.00 50.00 H new ATOM 0 HD22 LEU A 36 -4.498 -12.311 2.782 1.00 50.00 H new ATOM 0 HD23 LEU A 36 -4.763 -11.090 1.515 1.00 50.00 H new ATOM 623 N THR A 37 0.150 -9.935 0.905 1.00 10.00 N ATOM 624 CA THR A 37 0.548 -9.654 -0.485 1.00 10.00 C ATOM 625 C THR A 37 -0.001 -10.780 -1.394 1.00 10.00 C ATOM 626 O THR A 37 0.183 -11.963 -1.092 1.00 50.00 O ATOM 627 CB THR A 37 2.114 -9.526 -0.630 1.00 50.00 C ATOM 628 OG1 THR A 37 2.771 -10.675 -0.081 1.00 50.00 O ATOM 629 CG2 THR A 37 2.677 -8.268 0.059 1.00 50.00 C ATOM 0 H THR A 37 0.604 -10.759 1.299 1.00 10.00 H new ATOM 0 HA THR A 37 0.127 -8.695 -0.788 1.00 10.00 H new ATOM 0 HB THR A 37 2.310 -9.449 -1.700 1.00 50.00 H new ATOM 0 HG1 THR A 37 2.100 -11.318 0.231 1.00 50.00 H new ATOM 0 HG21 THR A 37 3.758 -8.233 -0.074 1.00 50.00 H new ATOM 0 HG22 THR A 37 2.228 -7.379 -0.384 1.00 50.00 H new ATOM 0 HG23 THR A 37 2.443 -8.301 1.123 1.00 50.00 H new ATOM 637 N THR A 38 -0.700 -10.403 -2.484 1.00 10.00 N ATOM 638 CA THR A 38 -1.305 -11.345 -3.462 1.00 10.00 C ATOM 639 C THR A 38 -0.962 -10.869 -4.913 1.00 10.00 C ATOM 640 O THR A 38 -0.450 -9.741 -5.076 1.00 50.00 O ATOM 641 CB THR A 38 -2.876 -11.484 -3.233 1.00 50.00 C ATOM 642 OG1 THR A 38 -3.522 -10.211 -3.224 1.00 50.00 O ATOM 643 CG2 THR A 38 -3.217 -12.206 -1.918 1.00 50.00 C ATOM 0 H THR A 38 -0.865 -9.424 -2.717 1.00 10.00 H new ATOM 0 HA THR A 38 -0.884 -12.340 -3.315 1.00 10.00 H new ATOM 0 HB THR A 38 -3.240 -12.079 -4.071 1.00 50.00 H new ATOM 0 HG1 THR A 38 -2.856 -9.505 -3.359 1.00 50.00 H new ATOM 0 HG21 THR A 38 -4.300 -12.274 -1.811 1.00 50.00 H new ATOM 0 HG22 THR A 38 -2.790 -13.209 -1.932 1.00 50.00 H new ATOM 0 HG23 THR A 38 -2.804 -11.647 -1.078 1.00 50.00 H new ATOM 651 N PRO A 39 -1.147 -11.739 -5.979 1.00 10.00 N ATOM 652 CA PRO A 39 -0.874 -11.372 -7.402 1.00 10.00 C ATOM 653 C PRO A 39 -1.466 -9.994 -7.812 1.00 10.00 C ATOM 654 O PRO A 39 -2.691 -9.830 -7.878 1.00 50.00 O ATOM 655 CB PRO A 39 -1.529 -12.545 -8.214 1.00 50.00 C ATOM 656 CG PRO A 39 -2.302 -13.354 -7.205 1.00 50.00 C ATOM 657 CD PRO A 39 -1.572 -13.163 -5.899 1.00 50.00 C ATOM 0 HA PRO A 39 0.194 -11.256 -7.588 1.00 10.00 H new ATOM 0 HB2 PRO A 39 -2.186 -12.162 -8.995 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -0.770 -13.153 -8.705 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -3.334 -13.011 -7.133 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -2.335 -14.406 -7.487 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -2.219 -13.347 -5.041 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -0.720 -13.837 -5.807 1.00 50.00 H new ATOM 665 N THR A 40 -0.556 -9.005 -8.011 1.00 10.00 N ATOM 666 CA THR A 40 -0.853 -7.621 -8.478 1.00 10.00 C ATOM 667 C THR A 40 -1.884 -6.870 -7.592 1.00 10.00 C ATOM 668 O THR A 40 -2.455 -5.856 -8.019 1.00 50.00 O ATOM 669 CB THR A 40 -1.284 -7.579 -10.001 1.00 50.00 C ATOM 670 OG1 THR A 40 -2.565 -8.214 -10.203 1.00 50.00 O ATOM 671 CG2 THR A 40 -0.235 -8.262 -10.912 1.00 50.00 C ATOM 0 H THR A 40 0.440 -9.152 -7.846 1.00 10.00 H new ATOM 0 HA THR A 40 0.091 -7.085 -8.378 1.00 10.00 H new ATOM 0 HB THR A 40 -1.357 -6.526 -10.272 1.00 50.00 H new ATOM 0 HG1 THR A 40 -2.816 -8.708 -9.395 1.00 50.00 H new ATOM 0 HG21 THR A 40 -0.567 -8.213 -11.949 1.00 50.00 H new ATOM 0 HG22 THR A 40 0.722 -7.750 -10.812 1.00 50.00 H new ATOM 0 HG23 THR A 40 -0.121 -9.305 -10.617 1.00 50.00 H new ATOM 679 N ALA A 41 -2.059 -7.332 -6.342 1.00 10.00 N ATOM 680 CA ALA A 41 -3.053 -6.782 -5.397 1.00 10.00 C ATOM 681 C ALA A 41 -2.538 -6.978 -3.970 1.00 10.00 C ATOM 682 O ALA A 41 -1.977 -8.021 -3.661 1.00 50.00 O ATOM 683 CB ALA A 41 -4.415 -7.474 -5.592 1.00 50.00 C ATOM 0 H ALA A 41 -1.513 -8.102 -5.954 1.00 10.00 H new ATOM 0 HA ALA A 41 -3.193 -5.717 -5.584 1.00 10.00 H new ATOM 0 HB1 ALA A 41 -5.138 -7.059 -4.889 1.00 50.00 H new ATOM 0 HB2 ALA A 41 -4.764 -7.309 -6.611 1.00 50.00 H new ATOM 0 HB3 ALA A 41 -4.308 -8.544 -5.413 1.00 50.00 H new ATOM 689 N LEU A 42 -2.709 -5.978 -3.102 1.00 10.00 N ATOM 690 CA LEU A 42 -2.169 -6.006 -1.731 1.00 10.00 C ATOM 691 C LEU A 42 -3.290 -5.699 -0.737 1.00 10.00 C ATOM 692 O LEU A 42 -4.019 -4.709 -0.904 1.00 50.00 O ATOM 693 CB LEU A 42 -1.017 -4.961 -1.569 1.00 50.00 C ATOM 694 CG LEU A 42 0.181 -5.068 -2.569 1.00 50.00 C ATOM 695 CD1 LEU A 42 1.271 -4.028 -2.252 1.00 50.00 C ATOM 696 CD2 LEU A 42 0.775 -6.489 -2.612 1.00 50.00 C ATOM 0 H LEU A 42 -3.224 -5.126 -3.324 1.00 10.00 H new ATOM 0 HA LEU A 42 -1.764 -6.998 -1.534 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -1.448 -3.964 -1.661 1.00 50.00 H new ATOM 0 HB3 LEU A 42 -0.622 -5.045 -0.556 1.00 50.00 H new ATOM 0 HG LEU A 42 -0.216 -4.852 -3.561 1.00 50.00 H new ATOM 0 HD11 LEU A 42 2.089 -4.129 -2.965 1.00 50.00 H new ATOM 0 HD12 LEU A 42 0.849 -3.025 -2.324 1.00 50.00 H new ATOM 0 HD13 LEU A 42 1.648 -4.192 -1.242 1.00 50.00 H new ATOM 0 HD21 LEU A 42 1.604 -6.516 -3.319 1.00 50.00 H new ATOM 0 HD22 LEU A 42 1.135 -6.763 -1.620 1.00 50.00 H new ATOM 0 HD23 LEU A 42 0.007 -7.195 -2.927 1.00 50.00 H new ATOM 708 N LYS A 43 -3.442 -6.554 0.286 1.00 10.00 N ATOM 709 CA LYS A 43 -4.300 -6.250 1.427 1.00 10.00 C ATOM 710 C LYS A 43 -3.458 -5.456 2.421 1.00 10.00 C ATOM 711 O LYS A 43 -2.548 -5.997 3.059 1.00 50.00 O ATOM 712 CB LYS A 43 -4.860 -7.530 2.095 1.00 50.00 C ATOM 713 CG LYS A 43 -5.833 -7.227 3.260 1.00 50.00 C ATOM 714 CD LYS A 43 -6.538 -8.480 3.820 1.00 50.00 C ATOM 715 CE LYS A 43 -7.598 -8.123 4.876 1.00 50.00 C ATOM 716 NZ LYS A 43 -8.601 -7.139 4.367 1.00 75.00 N ATOM 0 H LYS A 43 -2.978 -7.461 0.340 1.00 10.00 H new ATOM 0 HA LYS A 43 -5.165 -5.678 1.092 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -5.376 -8.129 1.345 1.00 50.00 H new ATOM 0 HB3 LYS A 43 -4.031 -8.131 2.468 1.00 50.00 H new ATOM 0 HG2 LYS A 43 -5.282 -6.741 4.065 1.00 50.00 H new ATOM 0 HG3 LYS A 43 -6.587 -6.519 2.917 1.00 50.00 H new ATOM 0 HD2 LYS A 43 -7.010 -9.026 3.003 1.00 50.00 H new ATOM 0 HD3 LYS A 43 -5.797 -9.146 4.262 1.00 50.00 H new ATOM 0 HE2 LYS A 43 -8.112 -9.031 5.192 1.00 50.00 H new ATOM 0 HE3 LYS A 43 -7.105 -7.712 5.757 1.00 50.00 H new ATOM 0 HZ1 LYS A 43 -9.303 -6.944 5.109 1.00 75.00 H new ATOM 0 HZ2 LYS A 43 -8.119 -6.256 4.105 1.00 75.00 H new ATOM 0 HZ3 LYS A 43 -9.080 -7.532 3.532 1.00 75.00 H new ATOM 730 N VAL A 44 -3.754 -4.161 2.506 1.00 10.00 N ATOM 731 CA VAL A 44 -3.038 -3.218 3.370 1.00 10.00 C ATOM 732 C VAL A 44 -3.922 -2.897 4.597 1.00 10.00 C ATOM 733 O VAL A 44 -5.136 -3.133 4.573 1.00 50.00 O ATOM 734 CB VAL A 44 -2.666 -1.909 2.554 1.00 50.00 C ATOM 735 CG1 VAL A 44 -1.748 -0.970 3.353 1.00 50.00 C ATOM 736 CG2 VAL A 44 -2.026 -2.247 1.178 1.00 50.00 C ATOM 0 H VAL A 44 -4.507 -3.729 1.971 1.00 10.00 H new ATOM 0 HA VAL A 44 -2.104 -3.658 3.721 1.00 10.00 H new ATOM 0 HB VAL A 44 -3.605 -1.386 2.373 1.00 50.00 H new ATOM 0 HG11 VAL A 44 -1.520 -0.088 2.755 1.00 50.00 H new ATOM 0 HG12 VAL A 44 -2.250 -0.666 4.272 1.00 50.00 H new ATOM 0 HG13 VAL A 44 -0.822 -1.490 3.600 1.00 50.00 H new ATOM 0 HG21 VAL A 44 -1.786 -1.323 0.651 1.00 50.00 H new ATOM 0 HG22 VAL A 44 -1.114 -2.824 1.333 1.00 50.00 H new ATOM 0 HG23 VAL A 44 -2.728 -2.832 0.584 1.00 50.00 H new ATOM 746 N ASP A 45 -3.306 -2.402 5.669 1.00 10.00 N ATOM 747 CA ASP A 45 -4.010 -1.994 6.890 1.00 10.00 C ATOM 748 C ASP A 45 -4.901 -0.775 6.587 1.00 10.00 C ATOM 749 O ASP A 45 -4.432 0.208 5.994 1.00 50.00 O ATOM 750 CB ASP A 45 -2.969 -1.657 7.982 1.00 50.00 C ATOM 751 CG ASP A 45 -3.567 -1.443 9.383 1.00 50.00 C ATOM 752 OD1 ASP A 45 -4.112 -0.348 9.650 1.00 50.00 O ATOM 753 OD2 ASP A 45 -3.481 -2.365 10.228 1.00 50.00 O ATOM 0 H ASP A 45 -2.296 -2.271 5.718 1.00 10.00 H new ATOM 0 HA ASP A 45 -4.646 -2.804 7.247 1.00 10.00 H new ATOM 0 HB2 ASP A 45 -2.238 -2.464 8.031 1.00 50.00 H new ATOM 0 HB3 ASP A 45 -2.430 -0.756 7.688 1.00 50.00 H new ATOM 758 N GLY A 46 -6.184 -0.866 6.976 1.00 10.00 N ATOM 759 CA GLY A 46 -7.179 0.176 6.699 1.00 10.00 C ATOM 760 C GLY A 46 -7.860 0.007 5.341 1.00 10.00 C ATOM 761 O GLY A 46 -8.776 0.770 5.005 1.00 50.00 O ATOM 0 H GLY A 46 -6.557 -1.664 7.490 1.00 10.00 H new ATOM 0 HA2 GLY A 46 -7.936 0.165 7.483 1.00 10.00 H new ATOM 0 HA3 GLY A 46 -6.695 1.152 6.737 1.00 10.00 H new ATOM 765 N ILE A 47 -7.406 -0.988 4.558 1.00 10.00 N ATOM 766 CA ILE A 47 -7.972 -1.318 3.239 1.00 10.00 C ATOM 767 C ILE A 47 -8.992 -2.456 3.389 1.00 10.00 C ATOM 768 O ILE A 47 -8.747 -3.415 4.133 1.00 50.00 O ATOM 769 CB ILE A 47 -6.816 -1.690 2.229 1.00 50.00 C ATOM 770 CG1 ILE A 47 -5.927 -0.434 1.951 1.00 50.00 C ATOM 771 CG2 ILE A 47 -7.327 -2.337 0.917 1.00 50.00 C ATOM 772 CD1 ILE A 47 -6.665 0.808 1.466 1.00 50.00 C ATOM 0 H ILE A 47 -6.628 -1.591 4.826 1.00 10.00 H new ATOM 0 HA ILE A 47 -8.492 -0.451 2.831 1.00 10.00 H new ATOM 0 HB ILE A 47 -6.206 -2.458 2.705 1.00 50.00 H new ATOM 0 HG12 ILE A 47 -5.392 -0.181 2.867 1.00 50.00 H new ATOM 0 HG13 ILE A 47 -5.177 -0.701 1.207 1.00 50.00 H new ATOM 0 HG21 ILE A 47 -6.480 -2.566 0.270 1.00 50.00 H new ATOM 0 HG22 ILE A 47 -7.865 -3.256 1.150 1.00 50.00 H new ATOM 0 HG23 ILE A 47 -7.996 -1.644 0.406 1.00 50.00 H new ATOM 0 HD11 ILE A 47 -5.951 1.616 1.306 1.00 50.00 H new ATOM 0 HD12 ILE A 47 -7.177 0.585 0.530 1.00 50.00 H new ATOM 0 HD13 ILE A 47 -7.396 1.113 2.215 1.00 50.00 H new ATOM 784 N ALA A 48 -10.135 -2.322 2.683 1.00 10.00 N ATOM 785 CA ALA A 48 -11.274 -3.247 2.780 1.00 10.00 C ATOM 786 C ALA A 48 -10.861 -4.690 2.421 1.00 10.00 C ATOM 787 O ALA A 48 -11.117 -5.623 3.197 1.00 50.00 O ATOM 788 CB ALA A 48 -12.435 -2.756 1.890 1.00 50.00 C ATOM 0 H ALA A 48 -10.290 -1.559 2.024 1.00 10.00 H new ATOM 0 HA ALA A 48 -11.617 -3.261 3.815 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -13.273 -3.449 1.970 1.00 50.00 H new ATOM 0 HB2 ALA A 48 -12.751 -1.765 2.217 1.00 50.00 H new ATOM 0 HB3 ALA A 48 -12.103 -2.706 0.853 1.00 50.00 H new ATOM 794 N ALA A 49 -10.190 -4.864 1.261 1.00 10.00 N ATOM 795 CA ALA A 49 -9.644 -6.172 0.857 1.00 10.00 C ATOM 796 C ALA A 49 -8.385 -6.042 -0.018 1.00 10.00 C ATOM 797 O ALA A 49 -7.341 -6.586 0.331 1.00 50.00 O ATOM 798 CB ALA A 49 -10.722 -7.002 0.147 1.00 50.00 C ATOM 0 H ALA A 49 -10.015 -4.115 0.591 1.00 10.00 H new ATOM 0 HA ALA A 49 -9.338 -6.690 1.766 1.00 10.00 H new ATOM 0 HB1 ALA A 49 -10.305 -7.966 -0.146 1.00 50.00 H new ATOM 0 HB2 ALA A 49 -11.563 -7.161 0.822 1.00 50.00 H new ATOM 0 HB3 ALA A 49 -11.065 -6.470 -0.740 1.00 50.00 H new ATOM 804 N TRP A 50 -8.465 -5.314 -1.152 1.00 10.00 N ATOM 805 CA TRP A 50 -7.340 -5.249 -2.128 1.00 10.00 C ATOM 806 C TRP A 50 -7.176 -3.837 -2.718 1.00 10.00 C ATOM 807 O TRP A 50 -8.162 -3.163 -3.038 1.00 50.00 O ATOM 808 CB TRP A 50 -7.527 -6.270 -3.298 1.00 50.00 C ATOM 809 CG TRP A 50 -7.505 -7.736 -2.895 1.00 50.00 C ATOM 810 CD1 TRP A 50 -6.402 -8.495 -2.594 1.00 50.00 C ATOM 811 CD2 TRP A 50 -8.633 -8.633 -2.803 1.00 50.00 C ATOM 812 NE1 TRP A 50 -6.779 -9.783 -2.295 1.00 50.00 N ATOM 813 CE2 TRP A 50 -8.140 -9.895 -2.421 1.00 50.00 C ATOM 814 CE3 TRP A 50 -10.008 -8.486 -3.002 1.00 50.00 C ATOM 815 CZ2 TRP A 50 -8.973 -10.997 -2.225 1.00 50.00 C ATOM 816 CZ3 TRP A 50 -10.835 -9.579 -2.809 1.00 50.00 C ATOM 817 CH2 TRP A 50 -10.315 -10.822 -2.425 1.00 50.00 C ATOM 0 H TRP A 50 -9.283 -4.767 -1.418 1.00 10.00 H new ATOM 0 HA TRP A 50 -6.441 -5.508 -1.569 1.00 10.00 H new ATOM 0 HB2 TRP A 50 -8.476 -6.061 -3.792 1.00 50.00 H new ATOM 0 HB3 TRP A 50 -6.741 -6.101 -4.034 1.00 50.00 H new ATOM 0 HD1 TRP A 50 -5.385 -8.133 -2.592 1.00 50.00 H new ATOM 0 HE1 TRP A 50 -6.147 -10.536 -2.023 1.00 50.00 H new ATOM 0 HE3 TRP A 50 -10.420 -7.534 -3.302 1.00 50.00 H new ATOM 0 HZ2 TRP A 50 -8.572 -11.954 -1.926 1.00 50.00 H new ATOM 0 HZ3 TRP A 50 -11.899 -9.472 -2.957 1.00 50.00 H new ATOM 0 HH2 TRP A 50 -10.986 -11.657 -2.284 1.00 50.00 H new ATOM 828 N ILE A 51 -5.909 -3.411 -2.838 1.00 10.00 N ATOM 829 CA ILE A 51 -5.479 -2.278 -3.676 1.00 10.00 C ATOM 830 C ILE A 51 -4.473 -2.824 -4.694 1.00 10.00 C ATOM 831 O ILE A 51 -3.504 -3.482 -4.295 1.00 50.00 O ATOM 832 CB ILE A 51 -4.812 -1.104 -2.842 1.00 50.00 C ATOM 833 CG1 ILE A 51 -5.838 -0.461 -1.860 1.00 50.00 C ATOM 834 CG2 ILE A 51 -4.166 -0.024 -3.759 1.00 50.00 C ATOM 835 CD1 ILE A 51 -7.052 0.178 -2.511 1.00 50.00 C ATOM 0 H ILE A 51 -5.135 -3.855 -2.343 1.00 10.00 H new ATOM 0 HA ILE A 51 -6.357 -1.847 -4.157 1.00 10.00 H new ATOM 0 HB ILE A 51 -4.008 -1.548 -2.255 1.00 50.00 H new ATOM 0 HG12 ILE A 51 -6.181 -1.229 -1.166 1.00 50.00 H new ATOM 0 HG13 ILE A 51 -5.323 0.296 -1.269 1.00 50.00 H new ATOM 0 HG21 ILE A 51 -3.723 0.758 -3.143 1.00 50.00 H new ATOM 0 HG22 ILE A 51 -3.392 -0.484 -4.374 1.00 50.00 H new ATOM 0 HG23 ILE A 51 -4.930 0.411 -4.403 1.00 50.00 H new ATOM 0 HD11 ILE A 51 -7.701 0.595 -1.741 1.00 50.00 H new ATOM 0 HD12 ILE A 51 -6.728 0.974 -3.182 1.00 50.00 H new ATOM 0 HD13 ILE A 51 -7.599 -0.575 -3.078 1.00 50.00 H new ATOM 847 N HIS A 52 -4.709 -2.556 -5.994 1.00 10.00 N ATOM 848 CA HIS A 52 -3.801 -2.972 -7.069 1.00 10.00 C ATOM 849 C HIS A 52 -2.388 -2.400 -6.793 1.00 10.00 C ATOM 850 O HIS A 52 -2.229 -1.176 -6.672 1.00 50.00 O ATOM 851 CB HIS A 52 -4.333 -2.509 -8.445 1.00 50.00 C ATOM 852 CG HIS A 52 -3.590 -3.080 -9.623 1.00 50.00 C ATOM 853 ND1 HIS A 52 -2.395 -2.573 -10.082 1.00 50.00 N ATOM 854 CD2 HIS A 52 -3.863 -4.146 -10.407 1.00 50.00 C ATOM 855 CE1 HIS A 52 -1.976 -3.296 -11.099 1.00 50.00 C ATOM 856 NE2 HIS A 52 -2.849 -4.257 -11.313 1.00 50.00 N ATOM 0 H HIS A 52 -5.531 -2.048 -6.322 1.00 10.00 H new ATOM 0 HA HIS A 52 -3.743 -4.060 -7.093 1.00 10.00 H new ATOM 0 HB2 HIS A 52 -5.384 -2.785 -8.526 1.00 50.00 H new ATOM 0 HB3 HIS A 52 -4.284 -1.421 -8.493 1.00 50.00 H new ATOM 0 HD2 HIS A 52 -4.725 -4.792 -10.331 1.00 50.00 H new ATOM 0 HE1 HIS A 52 -1.070 -3.129 -11.662 1.00 50.00 H new ATOM 0 HE2 HIS A 52 -2.779 -4.970 -12.039 1.00 50.00 H new ATOM 865 N ALA A 53 -1.394 -3.316 -6.715 1.00 10.00 N ATOM 866 CA ALA A 53 -0.024 -3.069 -6.190 1.00 10.00 C ATOM 867 C ALA A 53 0.715 -1.879 -6.841 1.00 10.00 C ATOM 868 O ALA A 53 1.637 -1.329 -6.241 1.00 50.00 O ATOM 869 CB ALA A 53 0.815 -4.367 -6.308 1.00 50.00 C ATOM 0 H ALA A 53 -1.525 -4.279 -7.025 1.00 10.00 H new ATOM 0 HA ALA A 53 -0.145 -2.783 -5.145 1.00 10.00 H new ATOM 0 HB1 ALA A 53 1.819 -4.187 -5.924 1.00 50.00 H new ATOM 0 HB2 ALA A 53 0.341 -5.160 -5.729 1.00 50.00 H new ATOM 0 HB3 ALA A 53 0.875 -4.667 -7.354 1.00 50.00 H new ATOM 875 N ALA A 54 0.284 -1.486 -8.052 1.00 10.00 N ATOM 876 CA ALA A 54 0.917 -0.404 -8.839 1.00 10.00 C ATOM 877 C ALA A 54 0.748 0.995 -8.202 1.00 10.00 C ATOM 878 O ALA A 54 1.524 1.911 -8.504 1.00 50.00 O ATOM 879 CB ALA A 54 0.363 -0.430 -10.268 1.00 50.00 C ATOM 0 H ALA A 54 -0.518 -1.910 -8.518 1.00 10.00 H new ATOM 0 HA ALA A 54 1.991 -0.591 -8.853 1.00 10.00 H new ATOM 0 HB1 ALA A 54 0.826 0.365 -10.852 1.00 50.00 H new ATOM 0 HB2 ALA A 54 0.585 -1.394 -10.727 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -0.716 -0.280 -10.243 1.00 50.00 H new ATOM 885 N HIS A 55 -0.274 1.150 -7.340 1.00 10.00 N ATOM 886 CA HIS A 55 -0.517 2.414 -6.596 1.00 10.00 C ATOM 887 C HIS A 55 0.266 2.441 -5.276 1.00 10.00 C ATOM 888 O HIS A 55 0.374 3.484 -4.634 1.00 50.00 O ATOM 889 CB HIS A 55 -2.032 2.604 -6.314 1.00 50.00 C ATOM 890 CG HIS A 55 -2.861 2.678 -7.561 1.00 50.00 C ATOM 891 ND1 HIS A 55 -2.622 3.600 -8.556 1.00 50.00 N ATOM 892 CD2 HIS A 55 -3.896 1.924 -7.994 1.00 50.00 C ATOM 893 CE1 HIS A 55 -3.471 3.409 -9.541 1.00 50.00 C ATOM 894 NE2 HIS A 55 -4.256 2.402 -9.224 1.00 50.00 N ATOM 0 H HIS A 55 -0.952 0.415 -7.136 1.00 10.00 H new ATOM 0 HA HIS A 55 -0.168 3.235 -7.222 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -2.387 1.777 -5.698 1.00 50.00 H new ATOM 0 HB3 HIS A 55 -2.175 3.517 -5.736 1.00 50.00 H new ATOM 0 HD2 HIS A 55 -4.353 1.099 -7.468 1.00 50.00 H new ATOM 0 HE1 HIS A 55 -3.516 3.982 -10.456 1.00 50.00 H new ATOM 0 HE2 HIS A 55 -5.012 2.036 -9.803 1.00 50.00 H new ATOM 903 N VAL A 56 0.804 1.279 -4.883 1.00 10.00 N ATOM 904 CA VAL A 56 1.509 1.093 -3.610 1.00 10.00 C ATOM 905 C VAL A 56 3.035 1.098 -3.851 1.00 10.00 C ATOM 906 O VAL A 56 3.517 0.534 -4.840 1.00 50.00 O ATOM 907 CB VAL A 56 1.056 -0.250 -2.924 1.00 50.00 C ATOM 908 CG1 VAL A 56 1.740 -0.439 -1.563 1.00 50.00 C ATOM 909 CG2 VAL A 56 -0.486 -0.316 -2.780 1.00 50.00 C ATOM 0 H VAL A 56 0.761 0.431 -5.448 1.00 10.00 H new ATOM 0 HA VAL A 56 1.259 1.916 -2.940 1.00 10.00 H new ATOM 0 HB VAL A 56 1.368 -1.069 -3.572 1.00 50.00 H new ATOM 0 HG11 VAL A 56 1.406 -1.375 -1.115 1.00 50.00 H new ATOM 0 HG12 VAL A 56 2.821 -0.467 -1.700 1.00 50.00 H new ATOM 0 HG13 VAL A 56 1.479 0.391 -0.906 1.00 50.00 H new ATOM 0 HG21 VAL A 56 -0.767 -1.255 -2.303 1.00 50.00 H new ATOM 0 HG22 VAL A 56 -0.830 0.519 -2.169 1.00 50.00 H new ATOM 0 HG23 VAL A 56 -0.946 -0.258 -3.766 1.00 50.00 H new ATOM 919 N LYS A 57 3.783 1.744 -2.940 1.00 10.00 N ATOM 920 CA LYS A 57 5.245 1.896 -3.039 1.00 10.00 C ATOM 921 C LYS A 57 5.883 1.693 -1.647 1.00 10.00 C ATOM 922 O LYS A 57 5.436 2.293 -0.668 1.00 50.00 O ATOM 923 CB LYS A 57 5.565 3.295 -3.653 1.00 50.00 C ATOM 924 CG LYS A 57 4.929 4.505 -2.910 1.00 50.00 C ATOM 925 CD LYS A 57 5.050 5.839 -3.681 1.00 50.00 C ATOM 926 CE LYS A 57 6.490 6.185 -4.101 1.00 50.00 C ATOM 927 NZ LYS A 57 7.405 6.337 -2.937 1.00 75.00 N ATOM 0 H LYS A 57 3.386 2.179 -2.107 1.00 10.00 H new ATOM 0 HA LYS A 57 5.673 1.139 -3.697 1.00 10.00 H new ATOM 0 HB2 LYS A 57 6.647 3.428 -3.671 1.00 50.00 H new ATOM 0 HB3 LYS A 57 5.226 3.306 -4.689 1.00 50.00 H new ATOM 0 HG2 LYS A 57 3.875 4.295 -2.727 1.00 50.00 H new ATOM 0 HG3 LYS A 57 5.406 4.614 -1.936 1.00 50.00 H new ATOM 0 HD2 LYS A 57 4.423 5.791 -4.571 1.00 50.00 H new ATOM 0 HD3 LYS A 57 4.659 6.644 -3.059 1.00 50.00 H new ATOM 0 HE2 LYS A 57 6.871 5.403 -4.758 1.00 50.00 H new ATOM 0 HE3 LYS A 57 6.484 7.110 -4.677 1.00 50.00 H new ATOM 0 HZ1 LYS A 57 8.361 6.569 -3.275 1.00 75.00 H new ATOM 0 HZ2 LYS A 57 7.060 7.101 -2.322 1.00 75.00 H new ATOM 0 HZ3 LYS A 57 7.435 5.447 -2.400 1.00 75.00 H new ATOM 941 N ALA A 58 6.916 0.829 -1.560 1.00 10.00 N ATOM 942 CA ALA A 58 7.512 0.400 -0.271 1.00 10.00 C ATOM 943 C ALA A 58 8.239 1.556 0.454 1.00 10.00 C ATOM 944 O ALA A 58 9.112 2.213 -0.120 1.00 50.00 O ATOM 945 CB ALA A 58 8.471 -0.770 -0.494 1.00 50.00 C ATOM 0 H ALA A 58 7.361 0.409 -2.376 1.00 10.00 H new ATOM 0 HA ALA A 58 6.692 0.080 0.372 1.00 10.00 H new ATOM 0 HB1 ALA A 58 8.901 -1.075 0.460 1.00 50.00 H new ATOM 0 HB2 ALA A 58 7.928 -1.608 -0.931 1.00 50.00 H new ATOM 0 HB3 ALA A 58 9.269 -0.463 -1.170 1.00 50.00 H new ATOM 951 N ALA A 59 7.864 1.778 1.721 1.00 10.00 N ATOM 952 CA ALA A 59 8.418 2.843 2.583 1.00 10.00 C ATOM 953 C ALA A 59 9.295 2.255 3.706 1.00 10.00 C ATOM 954 O ALA A 59 9.187 1.075 4.046 1.00 50.00 O ATOM 955 CB ALA A 59 7.264 3.655 3.185 1.00 50.00 C ATOM 0 H ALA A 59 7.154 1.214 2.189 1.00 10.00 H new ATOM 0 HA ALA A 59 9.049 3.491 1.975 1.00 10.00 H new ATOM 0 HB1 ALA A 59 7.667 4.442 3.822 1.00 50.00 H new ATOM 0 HB2 ALA A 59 6.677 4.102 2.383 1.00 50.00 H new ATOM 0 HB3 ALA A 59 6.628 2.998 3.778 1.00 50.00 H new ATOM 961 N ASP A 60 10.160 3.106 4.275 1.00 10.00 N ATOM 962 CA ASP A 60 10.983 2.783 5.453 1.00 10.00 C ATOM 963 C ASP A 60 10.262 3.340 6.700 1.00 50.00 C ATOM 964 O ASP A 60 10.018 4.557 6.770 1.00 50.00 O ATOM 965 CB ASP A 60 12.405 3.398 5.264 1.00 50.00 C ATOM 966 CG ASP A 60 13.459 3.036 6.344 1.00 50.00 C ATOM 967 OD1 ASP A 60 13.125 2.464 7.406 1.00 50.00 O ATOM 968 OD2 ASP A 60 14.658 3.328 6.112 1.00 75.00 O ATOM 0 H ASP A 60 10.311 4.052 3.926 1.00 10.00 H new ATOM 0 HA ASP A 60 11.109 1.708 5.578 1.00 10.00 H new ATOM 0 HB2 ASP A 60 12.788 3.083 4.293 1.00 50.00 H new ATOM 0 HB3 ASP A 60 12.307 4.483 5.231 1.00 50.00 H new ATOM 973 N PRO A 61 9.838 2.467 7.676 1.00 50.00 N ATOM 974 CA PRO A 61 9.090 2.916 8.884 1.00 50.00 C ATOM 975 C PRO A 61 9.966 3.678 9.899 1.00 50.00 C ATOM 976 O PRO A 61 9.465 4.540 10.631 1.00 75.00 O ATOM 977 CB PRO A 61 8.588 1.585 9.503 1.00 75.00 C ATOM 978 CG PRO A 61 9.603 0.567 9.074 1.00 75.00 C ATOM 979 CD PRO A 61 10.028 0.980 7.679 1.00 50.00 C ATOM 0 HA PRO A 61 8.300 3.620 8.623 1.00 50.00 H new ATOM 0 HB2 PRO A 61 8.526 1.651 10.589 1.00 75.00 H new ATOM 0 HB3 PRO A 61 7.592 1.330 9.142 1.00 75.00 H new ATOM 0 HG2 PRO A 61 10.454 0.551 9.755 1.00 75.00 H new ATOM 0 HG3 PRO A 61 9.176 -0.436 9.073 1.00 75.00 H new ATOM 0 HD2 PRO A 61 11.064 0.708 7.479 1.00 50.00 H new ATOM 0 HD3 PRO A 61 9.419 0.497 6.915 1.00 50.00 H new ATOM 987 N GLY A 62 11.277 3.347 9.939 1.00 50.00 N ATOM 988 CA GLY A 62 12.141 3.714 11.062 1.00 50.00 C ATOM 989 C GLY A 62 11.797 2.867 12.289 1.00 75.00 C ATOM 990 O GLY A 62 12.508 1.909 12.614 1.00 75.00 O ATOM 0 H GLY A 62 11.751 2.826 9.201 1.00 50.00 H new ATOM 0 HA2 GLY A 62 13.186 3.566 10.790 1.00 50.00 H new ATOM 0 HA3 GLY A 62 12.018 4.772 11.295 1.00 50.00 H new ATOM 994 N GLY A 63 10.674 3.219 12.943 1.00 75.00 N ATOM 995 CA GLY A 63 10.060 2.407 13.998 1.00 75.00 C ATOM 996 C GLY A 63 8.694 1.901 13.554 1.00 75.00 C ATOM 997 O GLY A 63 8.558 0.744 13.155 1.00 75.00 O ATOM 0 H GLY A 63 10.167 4.083 12.749 1.00 75.00 H new ATOM 0 HA2 GLY A 63 10.707 1.563 14.238 1.00 75.00 H new ATOM 0 HA3 GLY A 63 9.957 2.999 14.907 1.00 75.00 H new ATOM 1001 N GLY A 64 7.685 2.793 13.599 1.00 75.00 N ATOM 1002 CA GLY A 64 6.353 2.533 13.034 1.00 75.00 C ATOM 1003 C GLY A 64 5.615 1.320 13.643 1.00 75.00 C ATOM 1004 O GLY A 64 5.429 1.274 14.865 1.00 75.00 O ATOM 0 H GLY A 64 7.774 3.714 14.029 1.00 75.00 H new ATOM 0 HA2 GLY A 64 5.736 3.421 13.171 1.00 75.00 H new ATOM 0 HA3 GLY A 64 6.454 2.377 11.960 1.00 75.00 H new ATOM 1008 N PRO A 65 5.191 0.305 12.806 1.00 75.00 N ATOM 1009 CA PRO A 65 4.312 -0.806 13.252 1.00 75.00 C ATOM 1010 C PRO A 65 5.053 -1.863 14.103 1.00 75.00 C ATOM 1011 O PRO A 65 5.738 -2.749 13.577 1.00 75.00 O ATOM 1012 CB PRO A 65 3.797 -1.392 11.911 1.00 75.00 C ATOM 1013 CG PRO A 65 4.925 -1.155 10.948 1.00 75.00 C ATOM 1014 CD PRO A 65 5.546 0.168 11.361 1.00 75.00 C ATOM 0 HA PRO A 65 3.515 -0.468 13.914 1.00 75.00 H new ATOM 0 HB2 PRO A 65 3.568 -2.454 12.002 1.00 75.00 H new ATOM 0 HB3 PRO A 65 2.883 -0.896 11.584 1.00 75.00 H new ATOM 0 HG2 PRO A 65 5.656 -1.962 10.995 1.00 75.00 H new ATOM 0 HG3 PRO A 65 4.561 -1.113 9.921 1.00 75.00 H new ATOM 0 HD2 PRO A 65 6.626 0.164 11.215 1.00 75.00 H new ATOM 0 HD3 PRO A 65 5.148 0.995 10.773 1.00 75.00 H new ATOM 1022 N SER A 66 4.944 -1.723 15.423 1.00 75.00 N ATOM 1023 CA SER A 66 5.466 -2.700 16.386 1.00 75.00 C ATOM 1024 C SER A 66 4.285 -3.334 17.143 1.00 75.00 C ATOM 1025 O SER A 66 3.918 -4.484 16.875 1.00 75.00 O ATOM 1026 CB SER A 66 6.471 -2.026 17.358 1.00 75.00 C ATOM 1027 OG SER A 66 7.041 -2.968 18.256 1.00 75.00 O ATOM 0 H SER A 66 4.488 -0.923 15.861 1.00 75.00 H new ATOM 0 HA SER A 66 6.008 -3.485 15.859 1.00 75.00 H new ATOM 0 HB2 SER A 66 7.263 -1.542 16.786 1.00 75.00 H new ATOM 0 HB3 SER A 66 5.963 -1.245 17.923 1.00 75.00 H new ATOM 0 HG SER A 66 6.342 -3.324 18.843 1.00 75.00 H new ATOM 1033 N SER A 67 3.654 -2.536 18.034 1.00 75.00 N ATOM 1034 CA SER A 67 2.598 -2.983 18.961 1.00 75.00 C ATOM 1035 C SER A 67 1.217 -3.029 18.256 1.00 75.00 C ATOM 1036 O SER A 67 0.299 -2.252 18.566 1.00 75.00 O ATOM 1037 CB SER A 67 2.589 -2.041 20.194 1.00 75.00 C ATOM 1038 OG SER A 67 1.748 -2.538 21.209 1.00 75.00 O ATOM 0 H SER A 67 3.872 -1.544 18.128 1.00 75.00 H new ATOM 0 HA SER A 67 2.806 -4.000 19.294 1.00 75.00 H new ATOM 0 HB2 SER A 67 3.603 -1.932 20.579 1.00 75.00 H new ATOM 0 HB3 SER A 67 2.254 -1.048 19.894 1.00 75.00 H new ATOM 0 HG SER A 67 1.762 -1.926 21.974 1.00 75.00 H new ATOM 1044 N ARG A 68 1.096 -3.982 17.319 1.00 75.00 N ATOM 1045 CA ARG A 68 -0.071 -4.141 16.431 1.00 75.00 C ATOM 1046 C ARG A 68 0.016 -5.496 15.701 1.00 75.00 C ATOM 1047 O ARG A 68 -0.995 -6.171 15.492 1.00 75.00 O ATOM 1048 CB ARG A 68 -0.152 -2.956 15.405 1.00 75.00 C ATOM 1049 CG ARG A 68 -1.153 -3.166 14.244 1.00 75.00 C ATOM 1050 CD ARG A 68 -1.407 -1.906 13.398 1.00 75.00 C ATOM 1051 NE ARG A 68 -2.179 -0.896 14.148 1.00 75.00 N ATOM 1052 CZ ARG A 68 -3.261 -0.231 13.685 1.00 75.00 C ATOM 1053 NH1 ARG A 68 -3.728 -0.441 12.461 1.00 75.00 N ATOM 1054 NH2 ARG A 68 -3.876 0.643 14.463 1.00 75.00 N ATOM 0 H ARG A 68 1.821 -4.680 17.152 1.00 75.00 H new ATOM 0 HA ARG A 68 -0.981 -4.123 17.031 1.00 75.00 H new ATOM 0 HB2 ARG A 68 -0.426 -2.048 15.942 1.00 75.00 H new ATOM 0 HB3 ARG A 68 0.840 -2.790 14.985 1.00 75.00 H new ATOM 0 HG2 ARG A 68 -0.779 -3.957 13.595 1.00 75.00 H new ATOM 0 HG3 ARG A 68 -2.102 -3.512 14.654 1.00 75.00 H new ATOM 0 HD2 ARG A 68 -0.454 -1.479 13.085 1.00 75.00 H new ATOM 0 HD3 ARG A 68 -1.947 -2.178 12.491 1.00 75.00 H new ATOM 0 HE ARG A 68 -1.870 -0.682 15.096 1.00 75.00 H new ATOM 0 HH11 ARG A 68 -3.269 -1.116 11.849 1.00 75.00 H new ATOM 0 HH12 ARG A 68 -4.546 0.072 12.132 1.00 75.00 H new ATOM 0 HH21 ARG A 68 -3.534 0.813 15.409 1.00 75.00 H new ATOM 0 HH22 ARG A 68 -4.693 1.147 14.118 1.00 75.00 H new ATOM 1068 N LEU A 69 1.258 -5.913 15.375 1.00 75.00 N ATOM 1069 CA LEU A 69 1.537 -7.101 14.536 1.00 75.00 C ATOM 1070 C LEU A 69 1.490 -8.426 15.334 1.00 75.00 C ATOM 1071 O LEU A 69 1.896 -9.471 14.819 1.00 75.00 O ATOM 1072 CB LEU A 69 2.913 -6.915 13.846 1.00 75.00 C ATOM 1073 CG LEU A 69 3.057 -5.640 12.953 1.00 75.00 C ATOM 1074 CD1 LEU A 69 4.449 -5.575 12.289 1.00 75.00 C ATOM 1075 CD2 LEU A 69 1.916 -5.557 11.913 1.00 75.00 C ATOM 0 H LEU A 69 2.102 -5.433 15.688 1.00 75.00 H new ATOM 0 HA LEU A 69 0.750 -7.179 13.786 1.00 75.00 H new ATOM 0 HB2 LEU A 69 3.684 -6.886 14.616 1.00 75.00 H new ATOM 0 HB3 LEU A 69 3.111 -7.792 13.230 1.00 75.00 H new ATOM 0 HG LEU A 69 2.970 -4.766 13.598 1.00 75.00 H new ATOM 0 HD11 LEU A 69 4.518 -4.677 11.675 1.00 75.00 H new ATOM 0 HD12 LEU A 69 5.219 -5.547 13.060 1.00 75.00 H new ATOM 0 HD13 LEU A 69 4.595 -6.455 11.663 1.00 75.00 H new ATOM 0 HD21 LEU A 69 2.042 -4.660 11.306 1.00 75.00 H new ATOM 0 HD22 LEU A 69 1.944 -6.437 11.271 1.00 75.00 H new ATOM 0 HD23 LEU A 69 0.956 -5.515 12.428 1.00 75.00 H new ATOM 1087 N THR A 70 0.952 -8.359 16.570 1.00 75.00 N ATOM 1088 CA THR A 70 0.750 -9.509 17.477 1.00 75.00 C ATOM 1089 C THR A 70 -0.115 -10.636 16.851 1.00 75.00 C ATOM 1090 O THR A 70 -0.057 -11.796 17.293 1.00 75.00 O ATOM 1091 CB THR A 70 0.096 -9.012 18.815 1.00 75.00 C ATOM 1092 OG1 THR A 70 -0.031 -10.094 19.747 1.00 75.00 O ATOM 1093 CG2 THR A 70 -1.282 -8.356 18.580 1.00 75.00 C ATOM 0 H THR A 70 0.637 -7.478 16.976 1.00 75.00 H new ATOM 0 HA THR A 70 1.732 -9.941 17.670 1.00 75.00 H new ATOM 0 HB THR A 70 0.759 -8.253 19.231 1.00 75.00 H new ATOM 0 HG1 THR A 70 -0.439 -9.766 20.575 1.00 75.00 H new ATOM 0 HG21 THR A 70 -1.696 -8.028 19.533 1.00 75.00 H new ATOM 0 HG22 THR A 70 -1.168 -7.497 17.919 1.00 75.00 H new ATOM 0 HG23 THR A 70 -1.956 -9.080 18.122 1.00 75.00 H new ATOM 1101 N TRP A 71 -0.929 -10.268 15.835 1.00 75.00 N ATOM 1102 CA TRP A 71 -1.798 -11.198 15.103 1.00 75.00 C ATOM 1103 C TRP A 71 -0.986 -12.237 14.296 1.00 75.00 C ATOM 1104 O TRP A 71 0.113 -11.955 13.807 1.00 75.00 O ATOM 1105 CB TRP A 71 -2.782 -10.406 14.177 1.00 75.00 C ATOM 1106 CG TRP A 71 -2.158 -9.295 13.330 1.00 75.00 C ATOM 1107 CD1 TRP A 71 -1.016 -9.345 12.565 1.00 75.00 C ATOM 1108 CD2 TRP A 71 -2.685 -7.969 13.148 1.00 75.00 C ATOM 1109 NE1 TRP A 71 -0.792 -8.134 11.958 1.00 75.00 N ATOM 1110 CE2 TRP A 71 -1.808 -7.278 12.290 1.00 75.00 C ATOM 1111 CE3 TRP A 71 -3.813 -7.301 13.638 1.00 75.00 C ATOM 1112 CZ2 TRP A 71 -2.027 -5.958 11.913 1.00 75.00 C ATOM 1113 CZ3 TRP A 71 -4.028 -5.993 13.262 1.00 75.00 C ATOM 1114 CH2 TRP A 71 -3.142 -5.334 12.402 1.00 75.00 C ATOM 0 H TRP A 71 -0.996 -9.306 15.503 1.00 75.00 H new ATOM 0 HA TRP A 71 -2.381 -11.755 15.836 1.00 75.00 H new ATOM 0 HB2 TRP A 71 -3.270 -11.115 13.508 1.00 75.00 H new ATOM 0 HB3 TRP A 71 -3.561 -9.967 14.800 1.00 75.00 H new ATOM 0 HD1 TRP A 71 -0.384 -10.214 12.457 1.00 75.00 H new ATOM 0 HE1 TRP A 71 0.001 -7.909 11.358 1.00 75.00 H new ATOM 0 HE3 TRP A 71 -4.504 -7.802 14.300 1.00 75.00 H new ATOM 0 HZ2 TRP A 71 -1.341 -5.443 11.257 1.00 75.00 H new ATOM 0 HZ3 TRP A 71 -4.894 -5.468 13.637 1.00 75.00 H new ATOM 0 HH2 TRP A 71 -3.343 -4.311 12.118 1.00 75.00 H new ATOM 1125 N ARG A 72 -1.564 -13.436 14.158 1.00 75.00 N ATOM 1126 CA ARG A 72 -0.958 -14.557 13.416 1.00 75.00 C ATOM 1127 C ARG A 72 -1.496 -14.600 11.971 1.00 75.00 C ATOM 1128 O ARG A 72 -2.117 -15.570 11.514 1.00 75.00 O ATOM 1129 CB ARG A 72 -1.155 -15.887 14.192 1.00 75.00 C ATOM 1130 CG ARG A 72 -2.603 -16.206 14.628 1.00 75.00 C ATOM 1131 CD ARG A 72 -2.706 -17.531 15.397 1.00 75.00 C ATOM 1132 NE ARG A 72 -1.911 -17.525 16.643 1.00 75.00 N ATOM 1133 CZ ARG A 72 -1.869 -18.526 17.553 1.00 75.00 C ATOM 1134 NH1 ARG A 72 -2.581 -19.640 17.388 1.00 75.00 N ATOM 1135 NH2 ARG A 72 -1.102 -18.399 18.626 1.00 75.00 N ATOM 0 H ARG A 72 -2.474 -13.661 14.560 1.00 75.00 H new ATOM 0 HA ARG A 72 0.118 -14.406 13.336 1.00 75.00 H new ATOM 0 HB2 ARG A 72 -0.795 -16.706 13.569 1.00 75.00 H new ATOM 0 HB3 ARG A 72 -0.525 -15.863 15.081 1.00 75.00 H new ATOM 0 HG2 ARG A 72 -2.978 -15.396 15.254 1.00 75.00 H new ATOM 0 HG3 ARG A 72 -3.243 -16.250 13.747 1.00 75.00 H new ATOM 0 HD2 ARG A 72 -3.751 -17.728 15.637 1.00 75.00 H new ATOM 0 HD3 ARG A 72 -2.367 -18.346 14.757 1.00 75.00 H new ATOM 0 HE ARG A 72 -1.347 -16.697 16.833 1.00 75.00 H new ATOM 0 HH11 ARG A 72 -3.172 -19.750 16.564 1.00 75.00 H new ATOM 0 HH12 ARG A 72 -2.535 -20.383 18.086 1.00 75.00 H new ATOM 0 HH21 ARG A 72 -0.550 -17.552 18.761 1.00 75.00 H new ATOM 0 HH22 ARG A 72 -1.064 -19.148 19.317 1.00 75.00 H new ATOM 1149 N VAL A 73 -1.259 -13.488 11.270 1.00 75.00 N ATOM 1150 CA VAL A 73 -1.500 -13.340 9.821 1.00 75.00 C ATOM 1151 C VAL A 73 -0.183 -13.647 9.059 1.00 75.00 C ATOM 1152 O VAL A 73 -0.184 -13.968 7.868 1.00 75.00 O ATOM 1153 CB VAL A 73 -2.037 -11.883 9.511 1.00 75.00 C ATOM 1154 CG1 VAL A 73 -2.345 -11.662 8.011 1.00 75.00 C ATOM 1155 CG2 VAL A 73 -3.280 -11.559 10.376 1.00 50.00 C ATOM 0 H VAL A 73 -0.885 -12.642 11.699 1.00 75.00 H new ATOM 0 HA VAL A 73 -2.262 -14.045 9.487 1.00 75.00 H new ATOM 0 HB VAL A 73 -1.234 -11.194 9.772 1.00 75.00 H new ATOM 0 HG11 VAL A 73 -2.709 -10.646 7.860 1.00 75.00 H new ATOM 0 HG12 VAL A 73 -1.437 -11.812 7.427 1.00 75.00 H new ATOM 0 HG13 VAL A 73 -3.106 -12.372 7.687 1.00 75.00 H new ATOM 0 HG21 VAL A 73 -3.631 -10.553 10.146 1.00 50.00 H new ATOM 0 HG22 VAL A 73 -4.071 -12.278 10.160 1.00 50.00 H new ATOM 0 HG23 VAL A 73 -3.014 -11.618 11.431 1.00 50.00 H new ATOM 1165 N GLN A 74 0.939 -13.622 9.798 1.00 75.00 N ATOM 1166 CA GLN A 74 2.301 -13.870 9.266 1.00 75.00 C ATOM 1167 C GLN A 74 2.662 -15.384 9.271 1.00 75.00 C ATOM 1168 O GLN A 74 3.849 -15.731 9.333 1.00 75.00 O ATOM 1169 CB GLN A 74 3.334 -13.021 10.097 1.00 75.00 C ATOM 1170 CG GLN A 74 3.162 -13.029 11.640 1.00 75.00 C ATOM 1171 CD GLN A 74 3.357 -14.399 12.308 1.00 75.00 C ATOM 1172 OE1 GLN A 74 2.401 -15.142 12.551 1.00 75.00 O ATOM 1173 NE2 GLN A 74 4.601 -14.746 12.585 1.00 75.00 N ATOM 0 H GLN A 74 0.931 -13.426 10.799 1.00 75.00 H new ATOM 0 HA GLN A 74 2.336 -13.558 8.222 1.00 75.00 H new ATOM 0 HB2 GLN A 74 4.336 -13.382 9.864 1.00 75.00 H new ATOM 0 HB3 GLN A 74 3.279 -11.988 9.754 1.00 75.00 H new ATOM 0 HG2 GLN A 74 3.873 -12.326 12.073 1.00 75.00 H new ATOM 0 HG3 GLN A 74 2.164 -12.663 11.881 1.00 75.00 H new ATOM 0 HE21 GLN A 74 5.368 -14.108 12.371 1.00 75.00 H new ATOM 0 HE22 GLN A 74 4.795 -15.652 13.013 1.00 75.00 H new ATOM 1182 N ARG A 75 1.634 -16.267 9.180 1.00 75.00 N ATOM 1183 CA ARG A 75 1.795 -17.737 9.298 1.00 75.00 C ATOM 1184 C ARG A 75 2.690 -18.301 8.174 1.00 75.00 C ATOM 1185 O ARG A 75 2.229 -18.558 7.052 1.00 75.00 O ATOM 1186 CB ARG A 75 0.410 -18.456 9.334 1.00 75.00 C ATOM 1187 CG ARG A 75 -0.439 -18.169 10.593 1.00 75.00 C ATOM 1188 CD ARG A 75 0.321 -18.415 11.910 1.00 75.00 C ATOM 1189 NE ARG A 75 0.957 -19.745 11.963 1.00 75.00 N ATOM 1190 CZ ARG A 75 1.748 -20.188 12.964 1.00 75.00 C ATOM 1191 NH1 ARG A 75 2.016 -19.421 14.028 1.00 75.00 N ATOM 1192 NH2 ARG A 75 2.296 -21.397 12.890 1.00 75.00 N ATOM 0 H ARG A 75 0.669 -15.977 9.022 1.00 75.00 H new ATOM 0 HA ARG A 75 2.297 -17.936 10.245 1.00 75.00 H new ATOM 0 HB2 ARG A 75 -0.160 -18.159 8.454 1.00 75.00 H new ATOM 0 HB3 ARG A 75 0.573 -19.531 9.261 1.00 75.00 H new ATOM 0 HG2 ARG A 75 -0.778 -17.134 10.565 1.00 75.00 H new ATOM 0 HG3 ARG A 75 -1.330 -18.797 10.573 1.00 75.00 H new ATOM 0 HD2 ARG A 75 1.085 -17.647 12.032 1.00 75.00 H new ATOM 0 HD3 ARG A 75 -0.370 -18.314 12.747 1.00 75.00 H new ATOM 0 HE ARG A 75 0.786 -20.379 11.183 1.00 75.00 H new ATOM 0 HH11 ARG A 75 1.620 -18.483 14.093 1.00 75.00 H new ATOM 0 HH12 ARG A 75 2.616 -19.774 14.773 1.00 75.00 H new ATOM 0 HH21 ARG A 75 2.119 -21.988 12.078 1.00 75.00 H new ATOM 0 HH22 ARG A 75 2.894 -21.733 13.645 1.00 75.00 H new ATOM 1206 N SER A 76 3.980 -18.434 8.514 1.00 75.00 N ATOM 1207 CA SER A 76 5.051 -18.895 7.627 1.00 75.00 C ATOM 1208 C SER A 76 6.255 -19.319 8.493 1.00 75.00 C ATOM 1209 O SER A 76 6.132 -19.387 9.728 1.00 75.00 O ATOM 1210 CB SER A 76 5.437 -17.755 6.652 1.00 75.00 C ATOM 1211 OG SER A 76 6.410 -18.162 5.706 1.00 75.00 O ATOM 0 H SER A 76 4.316 -18.214 9.452 1.00 75.00 H new ATOM 0 HA SER A 76 4.722 -19.749 7.035 1.00 75.00 H new ATOM 0 HB2 SER A 76 4.545 -17.411 6.128 1.00 75.00 H new ATOM 0 HB3 SER A 76 5.819 -16.907 7.221 1.00 75.00 H new ATOM 0 HG SER A 76 6.622 -17.412 5.111 1.00 75.00 H new ATOM 1217 N GLN A 77 7.406 -19.600 7.845 1.00 75.00 N ATOM 1218 CA GLN A 77 8.653 -19.990 8.530 1.00 75.00 C ATOM 1219 C GLN A 77 9.142 -18.854 9.463 1.00 75.00 C ATOM 1220 O GLN A 77 9.197 -19.032 10.688 1.00 75.00 O ATOM 1221 CB GLN A 77 9.733 -20.372 7.475 1.00 75.00 C ATOM 1222 CG GLN A 77 9.274 -21.416 6.423 1.00 75.00 C ATOM 1223 CD GLN A 77 8.744 -22.715 7.043 1.00 75.00 C ATOM 1224 OE1 GLN A 77 7.544 -22.860 7.291 1.00 75.00 O ATOM 1225 NE2 GLN A 77 9.621 -23.667 7.296 1.00 75.00 N ATOM 0 H GLN A 77 7.495 -19.562 6.830 1.00 75.00 H new ATOM 0 HA GLN A 77 8.463 -20.862 9.155 1.00 75.00 H new ATOM 0 HB2 GLN A 77 10.049 -19.468 6.955 1.00 75.00 H new ATOM 0 HB3 GLN A 77 10.608 -20.762 7.996 1.00 75.00 H new ATOM 0 HG2 GLN A 77 8.495 -20.975 5.801 1.00 75.00 H new ATOM 0 HG3 GLN A 77 10.112 -21.651 5.766 1.00 75.00 H new ATOM 0 HE21 GLN A 77 10.608 -23.522 7.081 1.00 75.00 H new ATOM 0 HE22 GLN A 77 9.313 -24.549 7.706 1.00 75.00 H new ATOM 1234 N ASN A 78 9.481 -17.694 8.857 1.00 75.00 N ATOM 1235 CA ASN A 78 9.793 -16.440 9.584 1.00 75.00 C ATOM 1236 C ASN A 78 9.868 -15.266 8.571 1.00 75.00 C ATOM 1237 O ASN A 78 10.965 -14.898 8.122 1.00 75.00 O ATOM 1238 CB ASN A 78 11.119 -16.557 10.407 1.00 75.00 C ATOM 1239 CG ASN A 78 11.423 -15.319 11.272 1.00 75.00 C ATOM 1240 OD1 ASN A 78 10.519 -14.651 11.787 1.00 75.00 O ATOM 1241 ND2 ASN A 78 12.699 -15.008 11.449 1.00 75.00 N ATOM 0 H ASN A 78 9.547 -17.600 7.843 1.00 75.00 H new ATOM 0 HA ASN A 78 8.996 -16.249 10.302 1.00 75.00 H new ATOM 0 HB2 ASN A 78 11.060 -17.434 11.052 1.00 75.00 H new ATOM 0 HB3 ASN A 78 11.949 -16.722 9.720 1.00 75.00 H new ATOM 0 HD21 ASN A 78 12.953 -14.202 12.021 1.00 75.00 H new ATOM 0 HD22 ASN A 78 13.427 -15.574 11.014 1.00 75.00 H new ATOM 1248 N PRO A 79 8.688 -14.704 8.133 1.00 75.00 N ATOM 1249 CA PRO A 79 8.645 -13.567 7.176 1.00 75.00 C ATOM 1250 C PRO A 79 9.027 -12.221 7.830 1.00 75.00 C ATOM 1251 O PRO A 79 9.507 -11.308 7.145 1.00 75.00 O ATOM 1252 CB PRO A 79 7.171 -13.570 6.697 1.00 75.00 C ATOM 1253 CG PRO A 79 6.400 -14.118 7.860 1.00 75.00 C ATOM 1254 CD PRO A 79 7.312 -15.143 8.517 1.00 75.00 C ATOM 0 HA PRO A 79 9.366 -13.679 6.366 1.00 75.00 H new ATOM 0 HB2 PRO A 79 6.836 -12.566 6.436 1.00 75.00 H new ATOM 0 HB3 PRO A 79 7.043 -14.189 5.809 1.00 75.00 H new ATOM 0 HG2 PRO A 79 6.133 -13.326 8.560 1.00 75.00 H new ATOM 0 HG3 PRO A 79 5.469 -14.578 7.530 1.00 75.00 H new ATOM 0 HD2 PRO A 79 7.185 -15.154 9.599 1.00 75.00 H new ATOM 0 HD3 PRO A 79 7.101 -16.151 8.161 1.00 75.00 H new ATOM 1262 N LEU A 80 8.804 -12.111 9.159 1.00 75.00 N ATOM 1263 CA LEU A 80 9.086 -10.882 9.930 1.00 75.00 C ATOM 1264 C LEU A 80 10.587 -10.746 10.253 1.00 75.00 C ATOM 1265 O LEU A 80 11.387 -11.659 10.011 1.00 75.00 O ATOM 1266 CB LEU A 80 8.246 -10.849 11.246 1.00 75.00 C ATOM 1267 CG LEU A 80 6.701 -10.710 11.092 1.00 75.00 C ATOM 1268 CD1 LEU A 80 6.006 -10.676 12.468 1.00 75.00 C ATOM 1269 CD2 LEU A 80 6.321 -9.470 10.265 1.00 75.00 C ATOM 0 H LEU A 80 8.425 -12.870 9.725 1.00 75.00 H new ATOM 0 HA LEU A 80 8.798 -10.035 9.307 1.00 75.00 H new ATOM 0 HB2 LEU A 80 8.451 -11.764 11.802 1.00 75.00 H new ATOM 0 HB3 LEU A 80 8.602 -10.019 11.855 1.00 75.00 H new ATOM 0 HG LEU A 80 6.352 -11.590 10.552 1.00 75.00 H new ATOM 0 HD11 LEU A 80 4.929 -10.578 12.329 1.00 75.00 H new ATOM 0 HD12 LEU A 80 6.220 -11.599 13.007 1.00 75.00 H new ATOM 0 HD13 LEU A 80 6.376 -9.826 13.042 1.00 75.00 H new ATOM 0 HD21 LEU A 80 5.236 -9.408 10.180 1.00 75.00 H new ATOM 0 HD22 LEU A 80 6.698 -8.574 10.758 1.00 75.00 H new ATOM 0 HD23 LEU A 80 6.759 -9.548 9.270 1.00 75.00 H new ATOM 1281 N LYS A 81 10.933 -9.584 10.820 1.00 75.00 N ATOM 1282 CA LYS A 81 12.302 -9.212 11.194 1.00 75.00 C ATOM 1283 C LYS A 81 12.236 -8.236 12.381 1.00 75.00 C ATOM 1284 O LYS A 81 11.321 -7.400 12.437 1.00 75.00 O ATOM 1285 CB LYS A 81 13.027 -8.564 9.970 1.00 75.00 C ATOM 1286 CG LYS A 81 14.437 -7.991 10.261 1.00 75.00 C ATOM 1287 CD LYS A 81 15.146 -7.452 8.999 1.00 75.00 C ATOM 1288 CE LYS A 81 15.484 -8.565 7.990 1.00 75.00 C ATOM 1289 NZ LYS A 81 16.445 -9.556 8.552 1.00 75.00 N ATOM 0 H LYS A 81 10.250 -8.858 11.037 1.00 75.00 H new ATOM 0 HA LYS A 81 12.870 -10.094 11.489 1.00 75.00 H new ATOM 0 HB2 LYS A 81 13.113 -9.312 9.182 1.00 75.00 H new ATOM 0 HB3 LYS A 81 12.400 -7.762 9.581 1.00 75.00 H new ATOM 0 HG2 LYS A 81 14.352 -7.188 10.993 1.00 75.00 H new ATOM 0 HG3 LYS A 81 15.053 -8.769 10.712 1.00 75.00 H new ATOM 0 HD2 LYS A 81 14.508 -6.711 8.517 1.00 75.00 H new ATOM 0 HD3 LYS A 81 16.063 -6.941 9.292 1.00 75.00 H new ATOM 0 HE2 LYS A 81 14.568 -9.076 7.694 1.00 75.00 H new ATOM 0 HE3 LYS A 81 15.907 -8.121 7.089 1.00 75.00 H new ATOM 0 HZ1 LYS A 81 16.776 -10.187 7.794 1.00 75.00 H new ATOM 0 HZ2 LYS A 81 17.258 -9.056 8.965 1.00 75.00 H new ATOM 0 HZ3 LYS A 81 15.973 -10.118 9.289 1.00 75.00 H new ATOM 1303 N ILE A 82 13.174 -8.364 13.338 1.00 75.00 N ATOM 1304 CA ILE A 82 13.313 -7.401 14.450 1.00 75.00 C ATOM 1305 C ILE A 82 13.747 -6.024 13.905 1.00 75.00 C ATOM 1306 O ILE A 82 14.467 -5.934 12.905 1.00 75.00 O ATOM 1307 CB ILE A 82 14.328 -7.882 15.558 1.00 75.00 C ATOM 1308 CG1 ILE A 82 15.740 -8.167 14.947 1.00 75.00 C ATOM 1309 CG2 ILE A 82 13.772 -9.111 16.311 1.00 75.00 C ATOM 1310 CD1 ILE A 82 16.812 -8.570 15.954 1.00 75.00 C ATOM 0 H ILE A 82 13.850 -9.127 13.364 1.00 75.00 H new ATOM 0 HA ILE A 82 12.335 -7.325 14.925 1.00 75.00 H new ATOM 0 HB ILE A 82 14.449 -7.077 16.283 1.00 75.00 H new ATOM 0 HG12 ILE A 82 15.644 -8.960 14.205 1.00 75.00 H new ATOM 0 HG13 ILE A 82 16.077 -7.275 14.419 1.00 75.00 H new ATOM 0 HG21 ILE A 82 14.487 -9.427 17.071 1.00 75.00 H new ATOM 0 HG22 ILE A 82 12.828 -8.849 16.788 1.00 75.00 H new ATOM 0 HG23 ILE A 82 13.608 -9.926 15.606 1.00 75.00 H new ATOM 0 HD11 ILE A 82 17.753 -8.746 15.433 1.00 75.00 H new ATOM 0 HD12 ILE A 82 16.945 -7.771 16.684 1.00 75.00 H new ATOM 0 HD13 ILE A 82 16.505 -9.482 16.466 1.00 75.00 H new ATOM 1322 N ARG A 83 13.290 -4.963 14.565 1.00 75.00 N ATOM 1323 CA ARG A 83 13.550 -3.572 14.153 1.00 75.00 C ATOM 1324 C ARG A 83 14.250 -2.806 15.302 1.00 75.00 C ATOM 1325 O ARG A 83 14.382 -1.577 15.257 1.00 75.00 O ATOM 1326 CB ARG A 83 12.185 -2.940 13.756 1.00 75.00 C ATOM 1327 CG ARG A 83 12.268 -1.657 12.893 1.00 75.00 C ATOM 1328 CD ARG A 83 10.880 -1.200 12.399 1.00 75.00 C ATOM 1329 NE ARG A 83 10.232 -2.228 11.555 1.00 75.00 N ATOM 1330 CZ ARG A 83 8.913 -2.509 11.519 1.00 75.00 C ATOM 1331 NH1 ARG A 83 8.054 -1.856 12.287 1.00 75.00 N ATOM 1332 NH2 ARG A 83 8.469 -3.447 10.689 1.00 75.00 N ATOM 0 H ARG A 83 12.723 -5.037 15.410 1.00 75.00 H new ATOM 0 HA ARG A 83 14.222 -3.524 13.296 1.00 75.00 H new ATOM 0 HB2 ARG A 83 11.604 -3.685 13.212 1.00 75.00 H new ATOM 0 HB3 ARG A 83 11.633 -2.709 14.667 1.00 75.00 H new ATOM 0 HG2 ARG A 83 12.726 -0.858 13.475 1.00 75.00 H new ATOM 0 HG3 ARG A 83 12.916 -1.839 12.036 1.00 75.00 H new ATOM 0 HD2 ARG A 83 10.244 -0.979 13.256 1.00 75.00 H new ATOM 0 HD3 ARG A 83 10.982 -0.275 11.831 1.00 75.00 H new ATOM 0 HE ARG A 83 10.839 -2.775 10.944 1.00 75.00 H new ATOM 0 HH11 ARG A 83 8.386 -1.127 12.919 1.00 75.00 H new ATOM 0 HH12 ARG A 83 7.060 -2.082 12.247 1.00 75.00 H new ATOM 0 HH21 ARG A 83 9.124 -3.947 10.087 1.00 75.00 H new ATOM 0 HH22 ARG A 83 7.474 -3.667 10.654 1.00 75.00 H new ATOM 1346 N LEU A 84 14.691 -3.574 16.337 1.00 75.00 N ATOM 1347 CA LEU A 84 15.372 -3.062 17.556 1.00 75.00 C ATOM 1348 C LEU A 84 14.504 -2.036 18.323 1.00 75.00 C ATOM 1349 O LEU A 84 15.014 -1.269 19.157 1.00 75.00 O ATOM 1350 CB LEU A 84 16.773 -2.469 17.213 1.00 75.00 C ATOM 1351 CG LEU A 84 17.812 -3.447 16.574 1.00 75.00 C ATOM 1352 CD1 LEU A 84 19.140 -2.718 16.267 1.00 75.00 C ATOM 1353 CD2 LEU A 84 18.048 -4.690 17.464 1.00 75.00 C ATOM 0 H LEU A 84 14.580 -4.588 16.345 1.00 75.00 H new ATOM 0 HA LEU A 84 15.519 -3.914 18.219 1.00 75.00 H new ATOM 0 HB2 LEU A 84 16.630 -1.631 16.531 1.00 75.00 H new ATOM 0 HB3 LEU A 84 17.205 -2.065 18.128 1.00 75.00 H new ATOM 0 HG LEU A 84 17.395 -3.800 15.631 1.00 75.00 H new ATOM 0 HD11 LEU A 84 19.846 -3.420 15.823 1.00 75.00 H new ATOM 0 HD12 LEU A 84 18.954 -1.901 15.570 1.00 75.00 H new ATOM 0 HD13 LEU A 84 19.558 -2.318 17.191 1.00 75.00 H new ATOM 0 HD21 LEU A 84 18.776 -5.346 16.987 1.00 75.00 H new ATOM 0 HD22 LEU A 84 18.426 -4.375 18.436 1.00 75.00 H new ATOM 0 HD23 LEU A 84 17.108 -5.226 17.597 1.00 75.00 H new ATOM 1365 N THR A 85 13.183 -2.064 18.055 1.00 75.00 N ATOM 1366 CA THR A 85 12.217 -1.129 18.635 1.00 75.00 C ATOM 1367 C THR A 85 11.782 -1.635 20.022 1.00 75.00 C ATOM 1368 O THR A 85 11.687 -2.850 20.248 1.00 75.00 O ATOM 1369 CB THR A 85 10.974 -0.909 17.689 1.00 75.00 C ATOM 1370 OG1 THR A 85 10.053 0.030 18.269 1.00 75.00 O ATOM 1371 CG2 THR A 85 10.229 -2.219 17.352 1.00 75.00 C ATOM 0 H THR A 85 12.760 -2.745 17.424 1.00 75.00 H new ATOM 0 HA THR A 85 12.699 -0.158 18.746 1.00 75.00 H new ATOM 0 HB THR A 85 11.373 -0.511 16.756 1.00 75.00 H new ATOM 0 HG1 THR A 85 9.290 0.154 17.667 1.00 75.00 H new ATOM 0 HG21 THR A 85 9.385 -2.000 16.698 1.00 75.00 H new ATOM 0 HG22 THR A 85 10.910 -2.905 16.848 1.00 75.00 H new ATOM 0 HG23 THR A 85 9.866 -2.678 18.272 1.00 75.00 H new ATOM 1379 N ARG A 86 11.566 -0.691 20.942 1.00 75.00 N ATOM 1380 CA ARG A 86 11.150 -0.980 22.317 1.00 75.00 C ATOM 1381 C ARG A 86 9.663 -1.385 22.330 1.00 75.00 C ATOM 1382 O ARG A 86 8.786 -0.522 22.256 1.00 75.00 O ATOM 1383 CB ARG A 86 11.414 0.279 23.197 1.00 75.00 C ATOM 1384 CG ARG A 86 11.154 0.097 24.710 1.00 75.00 C ATOM 1385 CD ARG A 86 11.393 1.394 25.505 1.00 75.00 C ATOM 1386 NE ARG A 86 11.132 1.240 26.949 1.00 75.00 N ATOM 1387 CZ ARG A 86 11.337 2.207 27.870 1.00 75.00 C ATOM 1388 NH1 ARG A 86 11.809 3.400 27.524 1.00 75.00 N ATOM 1389 NH2 ARG A 86 11.068 1.971 29.143 1.00 75.00 N ATOM 0 H ARG A 86 11.676 0.305 20.751 1.00 75.00 H new ATOM 0 HA ARG A 86 11.723 -1.812 22.726 1.00 75.00 H new ATOM 0 HB2 ARG A 86 12.450 0.588 23.058 1.00 75.00 H new ATOM 0 HB3 ARG A 86 10.787 1.093 22.833 1.00 75.00 H new ATOM 0 HG2 ARG A 86 10.127 -0.236 24.862 1.00 75.00 H new ATOM 0 HG3 ARG A 86 11.804 -0.688 25.096 1.00 75.00 H new ATOM 0 HD2 ARG A 86 12.424 1.718 25.360 1.00 75.00 H new ATOM 0 HD3 ARG A 86 10.752 2.181 25.107 1.00 75.00 H new ATOM 0 HE ARG A 86 10.772 0.343 27.274 1.00 75.00 H new ATOM 0 HH11 ARG A 86 12.024 3.600 26.547 1.00 75.00 H new ATOM 0 HH12 ARG A 86 11.956 4.116 28.235 1.00 75.00 H new ATOM 0 HH21 ARG A 86 10.707 1.061 29.428 1.00 75.00 H new ATOM 0 HH22 ARG A 86 11.222 2.699 29.840 1.00 75.00 H new ATOM 1403 N GLU A 87 9.408 -2.706 22.321 1.00 75.00 N ATOM 1404 CA GLU A 87 8.050 -3.283 22.416 1.00 75.00 C ATOM 1405 C GLU A 87 7.619 -3.338 23.892 1.00 75.00 C ATOM 1406 O GLU A 87 6.591 -2.756 24.270 1.00 75.00 O ATOM 1407 CB GLU A 87 8.025 -4.695 21.749 1.00 75.00 C ATOM 1408 CG GLU A 87 6.713 -5.508 21.920 1.00 75.00 C ATOM 1409 CD GLU A 87 5.448 -4.804 21.379 1.00 75.00 C ATOM 1410 OE1 GLU A 87 5.315 -4.677 20.142 1.00 75.00 O ATOM 1411 OE2 GLU A 87 4.571 -4.401 22.192 1.00 75.00 O ATOM 0 H GLU A 87 10.142 -3.410 22.247 1.00 75.00 H new ATOM 0 HA GLU A 87 7.338 -2.654 21.881 1.00 75.00 H new ATOM 0 HB2 GLU A 87 8.217 -4.574 20.683 1.00 75.00 H new ATOM 0 HB3 GLU A 87 8.848 -5.282 22.157 1.00 75.00 H new ATOM 0 HG2 GLU A 87 6.825 -6.466 21.413 1.00 75.00 H new ATOM 0 HG3 GLU A 87 6.569 -5.723 22.979 1.00 75.00 H new ATOM 1418 N ALA A 88 8.424 -4.029 24.721 1.00 75.00 N ATOM 1419 CA ALA A 88 8.204 -4.092 26.173 1.00 75.00 C ATOM 1420 C ALA A 88 8.582 -2.735 26.818 1.00 75.00 C ATOM 1421 O ALA A 88 9.549 -2.108 26.380 1.00 75.00 O ATOM 1422 CB ALA A 88 9.030 -5.241 26.775 1.00 75.00 C ATOM 0 H ALA A 88 9.238 -4.555 24.403 1.00 75.00 H new ATOM 0 HA ALA A 88 7.151 -4.286 26.377 1.00 75.00 H new ATOM 0 HB1 ALA A 88 8.864 -5.284 27.851 1.00 75.00 H new ATOM 0 HB2 ALA A 88 8.724 -6.185 26.323 1.00 75.00 H new ATOM 0 HB3 ALA A 88 10.088 -5.070 26.578 1.00 75.00 H new ATOM 1428 N PRO A 89 7.814 -2.240 27.842 1.00 75.00 N ATOM 1429 CA PRO A 89 8.157 -0.985 28.557 1.00 75.00 C ATOM 1430 C PRO A 89 9.377 -1.196 29.513 1.00 75.00 C ATOM 1431 O PRO A 89 9.204 -1.693 30.646 1.00 75.00 O ATOM 1432 CB PRO A 89 6.836 -0.622 29.297 1.00 75.00 C ATOM 1433 CG PRO A 89 6.121 -1.932 29.500 1.00 75.00 C ATOM 1434 CD PRO A 89 6.555 -2.847 28.362 1.00 75.00 C ATOM 1435 OXT PRO A 89 10.513 -0.859 29.118 1.00 75.00 O ATOM 0 HA PRO A 89 8.481 -0.176 27.902 1.00 75.00 H new ATOM 0 HB2 PRO A 89 7.040 -0.134 30.250 1.00 75.00 H new ATOM 0 HB3 PRO A 89 6.232 0.068 28.708 1.00 75.00 H new ATOM 0 HG2 PRO A 89 6.377 -2.367 30.466 1.00 75.00 H new ATOM 0 HG3 PRO A 89 5.040 -1.789 29.491 1.00 75.00 H new ATOM 0 HD2 PRO A 89 6.723 -3.864 28.715 1.00 75.00 H new ATOM 0 HD3 PRO A 89 5.792 -2.901 27.585 1.00 75.00 H new TER 1443 PRO A 89