USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=18 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 33 THR OG1 : rot -146:sc= 0.972 USER MOD Set 1.2: A 70 THR OG1 : rot 106:sc= 0.495 USER MOD Set 2.1: A 13 THR OG1 : rot -40:sc= -0.182 USER MOD Set 2.2: A 67 SER OG : rot -164:sc= 0.15 USER MOD Set 3.1: A 7 SER OG : rot 88:sc= 1.63 USER MOD Set 3.2: A 37 THR OG1 : rot -24:sc= 1.2 USER MOD Set 4.1: A 4 HIS : no HD1:sc= 0 X(o=0.59,f=0.56) USER MOD Set 4.2: A 76 SER OG : rot 74:sc= 0.59 USER MOD Single : A 1 HIS : no HE2:sc= -0.175 X(o=-0.17,f=-0.16) USER MOD Single : A 1 HIS N :NH3+ 147:sc= 0.00986 (180deg=-0.0246) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 3 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.0028) USER MOD Single : A 5 HIS : no HD1:sc= -2.03 K(o=-2,f=-2.8!) USER MOD Single : A 6 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-0.45) USER MOD Single : A 8 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.37) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.0946 X(o=-0.095,f=0) USER MOD Single : A 20 GLN : amide:sc= -0.727 X(o=-0.73,f=-0.47) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= -0.0641 (180deg=-0.331) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 4:sc= 1.07 USER MOD Single : A 40 THR OG1 : rot -19:sc= 0.834 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.0205 K(o=-0.02,f=-0.59) USER MOD Single : A 55 HIS : no HE2:sc= 0.246 K(o=0.25,f=-1.2) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -1.12! X(o=-1.1!,f=-1.3) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.29 K(o=-0.29,f=-2.8!) USER MOD Single : A 81 LYS NZ :NH3+ -105:sc= -0.746 (180deg=-2.97!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -4.168 -29.818 11.369 1.00 75.00 N ATOM 2 CA HIS A 1 -4.435 -28.380 11.634 1.00 75.00 C ATOM 3 C HIS A 1 -5.082 -27.717 10.411 1.00 75.00 C ATOM 4 O HIS A 1 -4.728 -28.024 9.268 1.00 75.00 O ATOM 5 CB HIS A 1 -3.128 -27.627 12.036 1.00 75.00 C ATOM 6 CG HIS A 1 -2.059 -27.531 10.967 1.00 75.00 C ATOM 7 ND1 HIS A 1 -1.642 -26.330 10.424 1.00 75.00 N ATOM 8 CD2 HIS A 1 -1.294 -28.487 10.379 1.00 75.00 C ATOM 9 CE1 HIS A 1 -0.678 -26.554 9.549 1.00 75.00 C ATOM 10 NE2 HIS A 1 -0.447 -27.848 9.505 1.00 75.00 N ATOM 0 H1 HIS A 1 -3.307 -30.110 11.874 1.00 75.00 H new ATOM 0 H2 HIS A 1 -4.973 -30.387 11.700 1.00 75.00 H new ATOM 0 H3 HIS A 1 -4.037 -29.964 10.348 1.00 75.00 H new ATOM 0 HA HIS A 1 -5.130 -28.318 12.472 1.00 75.00 H new ATOM 0 HB2 HIS A 1 -3.395 -26.617 12.346 1.00 75.00 H new ATOM 0 HB3 HIS A 1 -2.699 -28.124 12.906 1.00 75.00 H new ATOM 0 HD1 HIS A 1 -2.020 -25.413 10.662 1.00 75.00 H new ATOM 0 HD2 HIS A 1 -1.342 -29.550 10.564 1.00 75.00 H new ATOM 0 HE1 HIS A 1 -0.166 -25.801 8.968 1.00 75.00 H new ATOM 21 N HIS A 2 -6.053 -26.821 10.662 1.00 75.00 N ATOM 22 CA HIS A 2 -6.629 -25.949 9.628 1.00 75.00 C ATOM 23 C HIS A 2 -6.295 -24.495 9.964 1.00 75.00 C ATOM 24 O HIS A 2 -7.163 -23.716 10.385 1.00 75.00 O ATOM 25 CB HIS A 2 -8.163 -26.178 9.458 1.00 75.00 C ATOM 26 CG HIS A 2 -8.520 -27.403 8.646 1.00 75.00 C ATOM 27 ND1 HIS A 2 -8.909 -27.342 7.323 1.00 75.00 N ATOM 28 CD2 HIS A 2 -8.549 -28.720 8.977 1.00 75.00 C ATOM 29 CE1 HIS A 2 -9.154 -28.558 6.877 1.00 75.00 C ATOM 30 NE2 HIS A 2 -8.944 -29.411 7.858 1.00 75.00 N ATOM 0 H HIS A 2 -6.459 -26.683 11.587 1.00 75.00 H new ATOM 0 HA HIS A 2 -6.187 -26.199 8.663 1.00 75.00 H new ATOM 0 HB2 HIS A 2 -8.618 -26.265 10.445 1.00 75.00 H new ATOM 0 HB3 HIS A 2 -8.600 -25.300 8.982 1.00 75.00 H new ATOM 0 HD2 HIS A 2 -8.307 -29.144 9.940 1.00 75.00 H new ATOM 0 HE1 HIS A 2 -9.473 -28.812 5.877 1.00 75.00 H new ATOM 0 HE2 HIS A 2 -9.057 -30.423 7.797 1.00 75.00 H new ATOM 39 N HIS A 3 -4.999 -24.177 9.825 1.00 75.00 N ATOM 40 CA HIS A 3 -4.478 -22.821 9.996 1.00 75.00 C ATOM 41 C HIS A 3 -3.045 -22.771 9.447 1.00 75.00 C ATOM 42 O HIS A 3 -2.099 -23.155 10.143 1.00 75.00 O ATOM 43 CB HIS A 3 -4.531 -22.359 11.484 1.00 75.00 C ATOM 44 CG HIS A 3 -4.372 -20.867 11.653 1.00 75.00 C ATOM 45 ND1 HIS A 3 -3.309 -20.277 12.300 1.00 75.00 N ATOM 46 CD2 HIS A 3 -5.181 -19.849 11.271 1.00 75.00 C ATOM 47 CE1 HIS A 3 -3.469 -18.970 12.307 1.00 75.00 C ATOM 48 NE2 HIS A 3 -4.594 -18.687 11.691 1.00 75.00 N ATOM 0 H HIS A 3 -4.281 -24.862 9.589 1.00 75.00 H new ATOM 0 HA HIS A 3 -5.108 -22.127 9.439 1.00 75.00 H new ATOM 0 HB2 HIS A 3 -5.482 -22.668 11.919 1.00 75.00 H new ATOM 0 HB3 HIS A 3 -3.745 -22.867 12.043 1.00 75.00 H new ATOM 0 HD2 HIS A 3 -6.114 -19.938 10.735 1.00 75.00 H new ATOM 0 HE1 HIS A 3 -2.791 -18.253 12.745 1.00 75.00 H new ATOM 0 HE2 HIS A 3 -4.970 -17.750 11.548 1.00 75.00 H new ATOM 57 N HIS A 4 -2.916 -22.359 8.176 1.00 75.00 N ATOM 58 CA HIS A 4 -1.617 -22.235 7.488 1.00 75.00 C ATOM 59 C HIS A 4 -1.739 -21.301 6.279 1.00 75.00 C ATOM 60 O HIS A 4 -2.715 -21.381 5.528 1.00 75.00 O ATOM 61 CB HIS A 4 -1.084 -23.625 7.038 1.00 75.00 C ATOM 62 CG HIS A 4 0.182 -23.572 6.209 1.00 75.00 C ATOM 63 ND1 HIS A 4 0.239 -23.986 4.896 1.00 75.00 N ATOM 64 CD2 HIS A 4 1.434 -23.140 6.510 1.00 75.00 C ATOM 65 CE1 HIS A 4 1.455 -23.808 4.428 1.00 75.00 C ATOM 66 NE2 HIS A 4 2.205 -23.297 5.383 1.00 75.00 N ATOM 0 H HIS A 4 -3.712 -22.101 7.593 1.00 75.00 H new ATOM 0 HA HIS A 4 -0.904 -21.810 8.194 1.00 75.00 H new ATOM 0 HB2 HIS A 4 -0.899 -24.233 7.923 1.00 75.00 H new ATOM 0 HB3 HIS A 4 -1.860 -24.129 6.462 1.00 75.00 H new ATOM 0 HD2 HIS A 4 1.763 -22.746 7.460 1.00 75.00 H new ATOM 0 HE1 HIS A 4 1.784 -24.042 3.426 1.00 75.00 H new ATOM 0 HE2 HIS A 4 3.193 -23.058 5.300 1.00 75.00 H new ATOM 75 N HIS A 5 -0.725 -20.433 6.114 1.00 75.00 N ATOM 76 CA HIS A 5 -0.609 -19.512 4.971 1.00 75.00 C ATOM 77 C HIS A 5 0.760 -18.822 4.998 1.00 75.00 C ATOM 78 O HIS A 5 1.346 -18.648 6.070 1.00 75.00 O ATOM 79 CB HIS A 5 -1.750 -18.447 4.959 1.00 75.00 C ATOM 80 CG HIS A 5 -1.797 -17.527 6.163 1.00 75.00 C ATOM 81 ND1 HIS A 5 -1.877 -16.158 6.050 1.00 75.00 N ATOM 82 CD2 HIS A 5 -1.832 -17.789 7.496 1.00 75.00 C ATOM 83 CE1 HIS A 5 -1.960 -15.622 7.245 1.00 75.00 C ATOM 84 NE2 HIS A 5 -1.935 -16.586 8.146 1.00 75.00 N ATOM 0 H HIS A 5 0.045 -20.351 6.778 1.00 75.00 H new ATOM 0 HA HIS A 5 -0.705 -20.100 4.058 1.00 75.00 H new ATOM 0 HB2 HIS A 5 -1.645 -17.837 4.062 1.00 75.00 H new ATOM 0 HB3 HIS A 5 -2.706 -18.965 4.882 1.00 75.00 H new ATOM 0 HD2 HIS A 5 -1.787 -18.764 7.958 1.00 75.00 H new ATOM 0 HE1 HIS A 5 -2.036 -14.566 7.456 1.00 75.00 H new ATOM 0 HE2 HIS A 5 -1.984 -16.458 9.157 1.00 75.00 H new ATOM 93 N HIS A 6 1.258 -18.452 3.814 1.00 75.00 N ATOM 94 CA HIS A 6 2.477 -17.635 3.643 1.00 75.00 C ATOM 95 C HIS A 6 2.155 -16.440 2.753 1.00 75.00 C ATOM 96 O HIS A 6 1.273 -16.523 1.888 1.00 75.00 O ATOM 97 CB HIS A 6 3.638 -18.453 3.014 1.00 75.00 C ATOM 98 CG HIS A 6 4.400 -19.321 3.975 1.00 75.00 C ATOM 99 ND1 HIS A 6 5.593 -18.933 4.539 1.00 75.00 N ATOM 100 CD2 HIS A 6 4.154 -20.564 4.448 1.00 75.00 C ATOM 101 CE1 HIS A 6 6.048 -19.895 5.304 1.00 75.00 C ATOM 102 NE2 HIS A 6 5.199 -20.897 5.269 1.00 75.00 N ATOM 0 H HIS A 6 0.823 -18.713 2.929 1.00 75.00 H new ATOM 0 HA HIS A 6 2.803 -17.301 4.628 1.00 75.00 H new ATOM 0 HB2 HIS A 6 3.231 -19.083 2.224 1.00 75.00 H new ATOM 0 HB3 HIS A 6 4.335 -17.761 2.542 1.00 75.00 H new ATOM 0 HD2 HIS A 6 3.295 -21.178 4.221 1.00 75.00 H new ATOM 0 HE1 HIS A 6 6.968 -19.868 5.869 1.00 75.00 H new ATOM 0 HE2 HIS A 6 5.301 -21.779 5.771 1.00 75.00 H new ATOM 111 N SER A 7 2.887 -15.349 2.974 1.00 75.00 N ATOM 112 CA SER A 7 2.795 -14.131 2.167 1.00 75.00 C ATOM 113 C SER A 7 4.006 -13.241 2.497 1.00 75.00 C ATOM 114 O SER A 7 4.897 -13.667 3.248 1.00 75.00 O ATOM 115 CB SER A 7 1.446 -13.418 2.448 1.00 75.00 C ATOM 116 OG SER A 7 1.164 -12.467 1.459 1.00 75.00 O ATOM 0 H SER A 7 3.570 -15.284 3.729 1.00 75.00 H new ATOM 0 HA SER A 7 2.817 -14.363 1.102 1.00 75.00 H new ATOM 0 HB2 SER A 7 0.643 -14.154 2.489 1.00 75.00 H new ATOM 0 HB3 SER A 7 1.483 -12.933 3.423 1.00 75.00 H new ATOM 0 HG SER A 7 0.690 -12.897 0.717 1.00 75.00 H new ATOM 122 N HIS A 8 4.060 -12.017 1.937 1.00 50.00 N ATOM 123 CA HIS A 8 5.085 -11.034 2.330 1.00 50.00 C ATOM 124 C HIS A 8 4.809 -10.609 3.780 1.00 50.00 C ATOM 125 O HIS A 8 3.644 -10.404 4.130 1.00 50.00 O ATOM 126 CB HIS A 8 5.086 -9.798 1.410 1.00 50.00 C ATOM 127 CG HIS A 8 6.220 -8.835 1.679 1.00 50.00 C ATOM 128 ND1 HIS A 8 6.206 -7.910 2.703 1.00 75.00 N ATOM 129 CD2 HIS A 8 7.419 -8.679 1.065 1.00 75.00 C ATOM 130 CE1 HIS A 8 7.341 -7.237 2.704 1.00 75.00 C ATOM 131 NE2 HIS A 8 8.093 -7.677 1.719 1.00 75.00 N ATOM 0 H HIS A 8 3.413 -11.689 1.219 1.00 50.00 H new ATOM 0 HA HIS A 8 6.068 -11.497 2.240 1.00 50.00 H new ATOM 0 HB2 HIS A 8 5.142 -10.129 0.373 1.00 50.00 H new ATOM 0 HB3 HIS A 8 4.139 -9.270 1.526 1.00 50.00 H new ATOM 0 HD2 HIS A 8 7.779 -9.241 0.216 1.00 75.00 H new ATOM 0 HE1 HIS A 8 7.608 -6.454 3.399 1.00 75.00 H new ATOM 0 HE2 HIS A 8 9.023 -7.331 1.480 1.00 75.00 H new ATOM 140 N MET A 9 5.882 -10.457 4.569 1.00 10.00 N ATOM 141 CA MET A 9 5.809 -10.225 6.022 1.00 10.00 C ATOM 142 C MET A 9 4.816 -9.097 6.399 1.00 10.00 C ATOM 143 O MET A 9 4.800 -8.023 5.773 1.00 50.00 O ATOM 144 CB MET A 9 7.228 -9.924 6.591 1.00 50.00 C ATOM 145 CG MET A 9 7.907 -8.677 6.007 1.00 50.00 C ATOM 146 SD MET A 9 9.588 -8.441 6.609 1.00 50.00 S ATOM 147 CE MET A 9 10.080 -6.951 5.739 1.00 75.00 C ATOM 0 H MET A 9 6.837 -10.492 4.214 1.00 10.00 H new ATOM 0 HA MET A 9 5.426 -11.140 6.475 1.00 10.00 H new ATOM 0 HB2 MET A 9 7.153 -9.806 7.672 1.00 50.00 H new ATOM 0 HB3 MET A 9 7.868 -10.787 6.408 1.00 50.00 H new ATOM 0 HG2 MET A 9 7.924 -8.755 4.920 1.00 50.00 H new ATOM 0 HG3 MET A 9 7.312 -7.798 6.254 1.00 50.00 H new ATOM 0 HE1 MET A 9 11.101 -6.688 6.016 1.00 75.00 H new ATOM 0 HE2 MET A 9 10.029 -7.124 4.664 1.00 75.00 H new ATOM 0 HE3 MET A 9 9.409 -6.135 6.007 1.00 75.00 H new ATOM 157 N VAL A 10 3.969 -9.394 7.405 1.00 10.00 N ATOM 158 CA VAL A 10 2.993 -8.447 7.965 1.00 10.00 C ATOM 159 C VAL A 10 3.704 -7.231 8.585 1.00 10.00 C ATOM 160 O VAL A 10 4.849 -7.338 9.064 1.00 50.00 O ATOM 161 CB VAL A 10 2.088 -9.132 9.053 1.00 50.00 C ATOM 162 CG1 VAL A 10 1.233 -10.271 8.457 1.00 50.00 C ATOM 163 CG2 VAL A 10 2.941 -9.635 10.236 1.00 50.00 C ATOM 0 H VAL A 10 3.946 -10.309 7.854 1.00 10.00 H new ATOM 0 HA VAL A 10 2.360 -8.114 7.143 1.00 10.00 H new ATOM 0 HB VAL A 10 1.397 -8.377 9.427 1.00 50.00 H new ATOM 0 HG11 VAL A 10 0.623 -10.717 9.242 1.00 50.00 H new ATOM 0 HG12 VAL A 10 0.585 -9.870 7.678 1.00 50.00 H new ATOM 0 HG13 VAL A 10 1.887 -11.031 8.030 1.00 50.00 H new ATOM 0 HG21 VAL A 10 2.294 -10.105 10.977 1.00 50.00 H new ATOM 0 HG22 VAL A 10 3.669 -10.362 9.876 1.00 50.00 H new ATOM 0 HG23 VAL A 10 3.463 -8.794 10.692 1.00 50.00 H new ATOM 173 N GLY A 11 3.026 -6.080 8.572 1.00 10.00 N ATOM 174 CA GLY A 11 3.602 -4.865 9.127 1.00 10.00 C ATOM 175 C GLY A 11 4.444 -4.102 8.111 1.00 10.00 C ATOM 176 O GLY A 11 5.191 -3.190 8.498 1.00 50.00 O ATOM 0 H GLY A 11 2.088 -5.970 8.186 1.00 10.00 H new ATOM 0 HA2 GLY A 11 2.802 -4.220 9.489 1.00 10.00 H new ATOM 0 HA3 GLY A 11 4.220 -5.120 9.988 1.00 10.00 H new ATOM 180 N ASP A 12 4.360 -4.491 6.814 1.00 10.00 N ATOM 181 CA ASP A 12 5.185 -3.868 5.744 1.00 10.00 C ATOM 182 C ASP A 12 4.843 -2.368 5.625 1.00 10.00 C ATOM 183 O ASP A 12 3.754 -2.018 5.173 1.00 50.00 O ATOM 184 CB ASP A 12 4.948 -4.574 4.370 1.00 50.00 C ATOM 185 CG ASP A 12 5.855 -4.098 3.200 1.00 50.00 C ATOM 186 OD1 ASP A 12 6.768 -3.267 3.392 1.00 50.00 O ATOM 187 OD2 ASP A 12 5.636 -4.561 2.054 1.00 50.00 O ATOM 0 H ASP A 12 3.735 -5.227 6.484 1.00 10.00 H new ATOM 0 HA ASP A 12 6.235 -3.983 6.012 1.00 10.00 H new ATOM 0 HB2 ASP A 12 5.092 -5.646 4.504 1.00 50.00 H new ATOM 0 HB3 ASP A 12 3.907 -4.426 4.081 1.00 50.00 H new ATOM 192 N THR A 13 5.798 -1.499 5.998 1.00 10.00 N ATOM 193 CA THR A 13 5.573 -0.052 6.030 1.00 10.00 C ATOM 194 C THR A 13 5.483 0.477 4.595 1.00 10.00 C ATOM 195 O THR A 13 6.450 0.416 3.836 1.00 50.00 O ATOM 196 CB THR A 13 6.715 0.674 6.812 1.00 50.00 C ATOM 197 OG1 THR A 13 6.773 0.168 8.158 1.00 50.00 O ATOM 198 CG2 THR A 13 6.524 2.210 6.837 1.00 50.00 C ATOM 0 H THR A 13 6.736 -1.780 6.282 1.00 10.00 H new ATOM 0 HA THR A 13 4.636 0.150 6.550 1.00 10.00 H new ATOM 0 HB THR A 13 7.652 0.471 6.293 1.00 50.00 H new ATOM 0 HG1 THR A 13 5.863 0.035 8.497 1.00 50.00 H new ATOM 0 HG21 THR A 13 7.342 2.669 7.392 1.00 50.00 H new ATOM 0 HG22 THR A 13 6.518 2.593 5.816 1.00 50.00 H new ATOM 0 HG23 THR A 13 5.577 2.451 7.321 1.00 50.00 H new ATOM 206 N VAL A 14 4.281 0.930 4.215 1.00 10.00 N ATOM 207 CA VAL A 14 3.986 1.373 2.846 1.00 10.00 C ATOM 208 C VAL A 14 3.174 2.669 2.849 1.00 10.00 C ATOM 209 O VAL A 14 2.603 3.064 3.865 1.00 50.00 O ATOM 210 CB VAL A 14 3.203 0.280 2.024 1.00 50.00 C ATOM 211 CG1 VAL A 14 4.039 -1.006 1.841 1.00 50.00 C ATOM 212 CG2 VAL A 14 1.824 -0.023 2.657 1.00 50.00 C ATOM 0 H VAL A 14 3.485 1.000 4.849 1.00 10.00 H new ATOM 0 HA VAL A 14 4.949 1.545 2.366 1.00 10.00 H new ATOM 0 HB VAL A 14 3.023 0.690 1.030 1.00 50.00 H new ATOM 0 HG11 VAL A 14 3.465 -1.735 1.269 1.00 50.00 H new ATOM 0 HG12 VAL A 14 4.959 -0.769 1.306 1.00 50.00 H new ATOM 0 HG13 VAL A 14 4.284 -1.423 2.818 1.00 50.00 H new ATOM 0 HG21 VAL A 14 1.311 -0.781 2.065 1.00 50.00 H new ATOM 0 HG22 VAL A 14 1.963 -0.390 3.674 1.00 50.00 H new ATOM 0 HG23 VAL A 14 1.225 0.888 2.678 1.00 50.00 H new ATOM 222 N TRP A 15 3.138 3.321 1.687 1.00 10.00 N ATOM 223 CA TRP A 15 2.323 4.509 1.435 1.00 10.00 C ATOM 224 C TRP A 15 1.396 4.215 0.247 1.00 10.00 C ATOM 225 O TRP A 15 1.793 3.507 -0.689 1.00 50.00 O ATOM 226 CB TRP A 15 3.232 5.737 1.141 1.00 50.00 C ATOM 227 CG TRP A 15 4.130 6.161 2.296 1.00 50.00 C ATOM 228 CD1 TRP A 15 3.904 5.979 3.635 1.00 50.00 C ATOM 229 CD2 TRP A 15 5.373 6.873 2.206 1.00 50.00 C ATOM 230 NE1 TRP A 15 4.926 6.520 4.373 1.00 50.00 N ATOM 231 CE2 TRP A 15 5.838 7.079 3.523 1.00 50.00 C ATOM 232 CE3 TRP A 15 6.136 7.355 1.144 1.00 50.00 C ATOM 233 CZ2 TRP A 15 7.030 7.743 3.797 1.00 50.00 C ATOM 234 CZ3 TRP A 15 7.318 8.015 1.417 1.00 50.00 C ATOM 235 CH2 TRP A 15 7.753 8.206 2.733 1.00 50.00 C ATOM 0 H TRP A 15 3.687 3.032 0.877 1.00 10.00 H new ATOM 0 HA TRP A 15 1.725 4.748 2.314 1.00 10.00 H new ATOM 0 HB2 TRP A 15 3.858 5.509 0.278 1.00 50.00 H new ATOM 0 HB3 TRP A 15 2.600 6.580 0.863 1.00 50.00 H new ATOM 0 HD1 TRP A 15 3.042 5.479 4.051 1.00 50.00 H new ATOM 0 HE1 TRP A 15 4.994 6.507 5.391 1.00 50.00 H new ATOM 0 HE3 TRP A 15 5.808 7.215 0.125 1.00 50.00 H new ATOM 0 HZ2 TRP A 15 7.371 7.887 4.812 1.00 50.00 H new ATOM 0 HZ3 TRP A 15 7.917 8.390 0.600 1.00 50.00 H new ATOM 0 HH2 TRP A 15 8.680 8.731 2.912 1.00 50.00 H new ATOM 246 N VAL A 16 0.174 4.774 0.278 1.00 10.00 N ATOM 247 CA VAL A 16 -0.846 4.533 -0.757 1.00 10.00 C ATOM 248 C VAL A 16 -0.997 5.799 -1.617 1.00 10.00 C ATOM 249 O VAL A 16 -1.545 6.812 -1.168 1.00 50.00 O ATOM 250 CB VAL A 16 -2.242 4.127 -0.127 1.00 50.00 C ATOM 251 CG1 VAL A 16 -3.309 3.876 -1.229 1.00 50.00 C ATOM 252 CG2 VAL A 16 -2.098 2.892 0.796 1.00 50.00 C ATOM 0 H VAL A 16 -0.134 5.404 1.019 1.00 10.00 H new ATOM 0 HA VAL A 16 -0.518 3.698 -1.376 1.00 10.00 H new ATOM 0 HB VAL A 16 -2.585 4.964 0.481 1.00 50.00 H new ATOM 0 HG11 VAL A 16 -4.255 3.599 -0.763 1.00 50.00 H new ATOM 0 HG12 VAL A 16 -3.446 4.784 -1.817 1.00 50.00 H new ATOM 0 HG13 VAL A 16 -2.976 3.068 -1.881 1.00 50.00 H new ATOM 0 HG21 VAL A 16 -3.071 2.635 1.215 1.00 50.00 H new ATOM 0 HG22 VAL A 16 -1.717 2.049 0.219 1.00 50.00 H new ATOM 0 HG23 VAL A 16 -1.404 3.121 1.605 1.00 50.00 H new ATOM 262 N ARG A 17 -0.447 5.724 -2.832 1.00 10.00 N ATOM 263 CA ARG A 17 -0.484 6.792 -3.843 1.00 10.00 C ATOM 264 C ARG A 17 -1.736 6.652 -4.724 1.00 10.00 C ATOM 265 O ARG A 17 -2.090 5.542 -5.126 1.00 50.00 O ATOM 266 CB ARG A 17 0.817 6.701 -4.682 1.00 50.00 C ATOM 267 CG ARG A 17 0.861 7.580 -5.940 1.00 50.00 C ATOM 268 CD ARG A 17 2.223 7.526 -6.645 1.00 50.00 C ATOM 269 NE ARG A 17 3.274 8.179 -5.846 1.00 50.00 N ATOM 270 CZ ARG A 17 4.589 7.920 -5.922 1.00 50.00 C ATOM 271 NH1 ARG A 17 5.066 6.994 -6.760 1.00 75.00 N ATOM 272 NH2 ARG A 17 5.425 8.614 -5.168 1.00 75.00 N ATOM 0 H ARG A 17 0.052 4.894 -3.152 1.00 10.00 H new ATOM 0 HA ARG A 17 -0.540 7.771 -3.366 1.00 10.00 H new ATOM 0 HB2 ARG A 17 1.659 6.970 -4.044 1.00 50.00 H new ATOM 0 HB3 ARG A 17 0.963 5.663 -4.981 1.00 50.00 H new ATOM 0 HG2 ARG A 17 0.084 7.257 -6.633 1.00 50.00 H new ATOM 0 HG3 ARG A 17 0.637 8.611 -5.667 1.00 50.00 H new ATOM 0 HD2 ARG A 17 2.497 6.487 -6.828 1.00 50.00 H new ATOM 0 HD3 ARG A 17 2.149 8.013 -7.618 1.00 50.00 H new ATOM 0 HE ARG A 17 2.977 8.889 -5.177 1.00 50.00 H new ATOM 0 HH11 ARG A 17 4.427 6.469 -7.357 1.00 75.00 H new ATOM 0 HH12 ARG A 17 6.069 6.813 -6.802 1.00 75.00 H new ATOM 0 HH21 ARG A 17 5.068 9.334 -4.540 1.00 75.00 H new ATOM 0 HH22 ARG A 17 6.427 8.429 -5.214 1.00 75.00 H new ATOM 286 N ARG A 18 -2.393 7.781 -5.027 1.00 10.00 N ATOM 287 CA ARG A 18 -3.622 7.790 -5.831 1.00 10.00 C ATOM 288 C ARG A 18 -3.742 9.107 -6.615 1.00 10.00 C ATOM 289 O ARG A 18 -3.441 10.177 -6.077 1.00 50.00 O ATOM 290 CB ARG A 18 -4.847 7.597 -4.906 1.00 50.00 C ATOM 291 CG ARG A 18 -6.181 7.409 -5.652 1.00 50.00 C ATOM 292 CD ARG A 18 -7.366 7.241 -4.693 1.00 50.00 C ATOM 293 NE ARG A 18 -8.641 7.060 -5.409 1.00 75.00 N ATOM 294 CZ ARG A 18 -9.711 6.414 -4.922 1.00 75.00 C ATOM 295 NH1 ARG A 18 -9.684 5.864 -3.701 1.00 75.00 N ATOM 296 NH2 ARG A 18 -10.809 6.322 -5.658 1.00 75.00 N ATOM 0 H ARG A 18 -2.090 8.707 -4.724 1.00 10.00 H new ATOM 0 HA ARG A 18 -3.585 6.970 -6.549 1.00 10.00 H new ATOM 0 HB2 ARG A 18 -4.674 6.729 -4.270 1.00 50.00 H new ATOM 0 HB3 ARG A 18 -4.931 8.462 -4.248 1.00 50.00 H new ATOM 0 HG2 ARG A 18 -6.358 8.269 -6.297 1.00 50.00 H new ATOM 0 HG3 ARG A 18 -6.113 6.534 -6.299 1.00 50.00 H new ATOM 0 HD2 ARG A 18 -7.189 6.381 -4.047 1.00 50.00 H new ATOM 0 HD3 ARG A 18 -7.435 8.116 -4.047 1.00 50.00 H new ATOM 0 HE ARG A 18 -8.716 7.456 -6.346 1.00 75.00 H new ATOM 0 HH11 ARG A 18 -8.842 5.934 -3.129 1.00 75.00 H new ATOM 0 HH12 ARG A 18 -10.505 5.376 -3.343 1.00 75.00 H new ATOM 0 HH21 ARG A 18 -10.836 6.741 -6.588 1.00 75.00 H new ATOM 0 HH22 ARG A 18 -11.627 5.832 -5.295 1.00 75.00 H new ATOM 310 N HIS A 19 -4.182 9.011 -7.884 1.00 50.00 N ATOM 311 CA HIS A 19 -4.416 10.183 -8.745 1.00 50.00 C ATOM 312 C HIS A 19 -5.506 11.091 -8.146 1.00 50.00 C ATOM 313 O HIS A 19 -6.634 10.640 -7.925 1.00 75.00 O ATOM 314 CB HIS A 19 -4.828 9.746 -10.179 1.00 75.00 C ATOM 315 CG HIS A 19 -3.754 9.006 -10.952 1.00 75.00 C ATOM 316 ND1 HIS A 19 -3.941 7.758 -11.508 1.00 75.00 N ATOM 317 CD2 HIS A 19 -2.490 9.367 -11.282 1.00 75.00 C ATOM 318 CE1 HIS A 19 -2.842 7.384 -12.139 1.00 75.00 C ATOM 319 NE2 HIS A 19 -1.949 8.341 -12.019 1.00 75.00 N ATOM 0 H HIS A 19 -4.384 8.121 -8.339 1.00 50.00 H new ATOM 0 HA HIS A 19 -3.482 10.742 -8.804 1.00 50.00 H new ATOM 0 HB2 HIS A 19 -5.710 9.109 -10.110 1.00 75.00 H new ATOM 0 HB3 HIS A 19 -5.118 10.632 -10.744 1.00 75.00 H new ATOM 0 HD2 HIS A 19 -1.998 10.291 -11.015 1.00 75.00 H new ATOM 0 HE1 HIS A 19 -2.701 6.451 -12.664 1.00 75.00 H new ATOM 0 HE2 HIS A 19 -1.007 8.325 -12.410 1.00 75.00 H new ATOM 328 N GLN A 20 -5.142 12.353 -7.856 1.00 75.00 N ATOM 329 CA GLN A 20 -6.112 13.396 -7.459 1.00 75.00 C ATOM 330 C GLN A 20 -7.106 13.616 -8.614 1.00 75.00 C ATOM 331 O GLN A 20 -8.330 13.630 -8.431 1.00 75.00 O ATOM 332 CB GLN A 20 -5.374 14.718 -7.115 1.00 75.00 C ATOM 333 CG GLN A 20 -4.320 14.604 -5.999 1.00 75.00 C ATOM 334 CD GLN A 20 -4.876 14.056 -4.681 1.00 75.00 C ATOM 335 OE1 GLN A 20 -4.806 12.854 -4.408 1.00 75.00 O ATOM 336 NE2 GLN A 20 -5.463 14.929 -3.873 1.00 75.00 N ATOM 0 H GLN A 20 -4.176 12.679 -7.889 1.00 75.00 H new ATOM 0 HA GLN A 20 -6.654 13.074 -6.570 1.00 75.00 H new ATOM 0 HB2 GLN A 20 -4.888 15.090 -8.017 1.00 75.00 H new ATOM 0 HB3 GLN A 20 -6.113 15.463 -6.821 1.00 75.00 H new ATOM 0 HG2 GLN A 20 -3.512 13.957 -6.339 1.00 75.00 H new ATOM 0 HG3 GLN A 20 -3.886 15.588 -5.819 1.00 75.00 H new ATOM 0 HE21 GLN A 20 -5.503 15.915 -4.130 1.00 75.00 H new ATOM 0 HE22 GLN A 20 -5.875 14.614 -2.994 1.00 75.00 H new ATOM 345 N THR A 21 -6.522 13.756 -9.806 1.00 75.00 N ATOM 346 CA THR A 21 -7.222 13.804 -11.099 1.00 75.00 C ATOM 347 C THR A 21 -6.273 13.175 -12.154 1.00 75.00 C ATOM 348 O THR A 21 -5.061 13.138 -11.925 1.00 75.00 O ATOM 349 CB THR A 21 -7.585 15.288 -11.476 1.00 75.00 C ATOM 350 OG1 THR A 21 -8.326 15.905 -10.406 1.00 75.00 O ATOM 351 CG2 THR A 21 -8.409 15.397 -12.772 1.00 75.00 C ATOM 0 H THR A 21 -5.511 13.843 -9.905 1.00 75.00 H new ATOM 0 HA THR A 21 -8.160 13.251 -11.055 1.00 75.00 H new ATOM 0 HB THR A 21 -6.637 15.802 -11.639 1.00 75.00 H new ATOM 0 HG1 THR A 21 -8.545 16.828 -10.650 1.00 75.00 H new ATOM 0 HG21 THR A 21 -8.627 16.445 -12.977 1.00 75.00 H new ATOM 0 HG22 THR A 21 -7.841 14.975 -13.601 1.00 75.00 H new ATOM 0 HG23 THR A 21 -9.343 14.848 -12.656 1.00 75.00 H new ATOM 359 N LYS A 22 -6.809 12.662 -13.281 1.00 75.00 N ATOM 360 CA LYS A 22 -5.966 12.136 -14.385 1.00 75.00 C ATOM 361 C LYS A 22 -5.204 13.280 -15.092 1.00 75.00 C ATOM 362 O LYS A 22 -4.125 13.068 -15.659 1.00 75.00 O ATOM 363 CB LYS A 22 -6.813 11.338 -15.408 1.00 75.00 C ATOM 364 CG LYS A 22 -7.480 10.058 -14.846 1.00 75.00 C ATOM 365 CD LYS A 22 -8.232 9.278 -15.948 1.00 75.00 C ATOM 366 CE LYS A 22 -7.286 8.733 -17.035 1.00 75.00 C ATOM 367 NZ LYS A 22 -8.020 8.264 -18.242 1.00 75.00 N ATOM 0 H LYS A 22 -7.812 12.599 -13.454 1.00 75.00 H new ATOM 0 HA LYS A 22 -5.236 11.456 -13.945 1.00 75.00 H new ATOM 0 HB2 LYS A 22 -7.591 11.992 -15.802 1.00 75.00 H new ATOM 0 HB3 LYS A 22 -6.175 11.059 -16.247 1.00 75.00 H new ATOM 0 HG2 LYS A 22 -6.720 9.417 -14.400 1.00 75.00 H new ATOM 0 HG3 LYS A 22 -8.176 10.328 -14.051 1.00 75.00 H new ATOM 0 HD2 LYS A 22 -8.776 8.449 -15.495 1.00 75.00 H new ATOM 0 HD3 LYS A 22 -8.973 9.931 -16.410 1.00 75.00 H new ATOM 0 HE2 LYS A 22 -6.580 9.512 -17.322 1.00 75.00 H new ATOM 0 HE3 LYS A 22 -6.702 7.909 -16.625 1.00 75.00 H new ATOM 0 HZ1 LYS A 22 -7.341 7.907 -18.944 1.00 75.00 H new ATOM 0 HZ2 LYS A 22 -8.676 7.502 -17.975 1.00 75.00 H new ATOM 0 HZ3 LYS A 22 -8.557 9.055 -18.651 1.00 75.00 H new ATOM 381 N ASN A 23 -5.795 14.482 -15.051 1.00 75.00 N ATOM 382 CA ASN A 23 -5.167 15.727 -15.543 1.00 75.00 C ATOM 383 C ASN A 23 -4.009 16.157 -14.616 1.00 50.00 C ATOM 384 O ASN A 23 -2.976 16.654 -15.079 1.00 50.00 O ATOM 385 CB ASN A 23 -6.241 16.839 -15.663 1.00 50.00 C ATOM 386 CG ASN A 23 -5.679 18.216 -16.036 1.00 75.00 C ATOM 387 OD1 ASN A 23 -5.408 19.045 -15.164 1.00 75.00 O ATOM 388 ND2 ASN A 23 -5.463 18.457 -17.322 1.00 75.00 N ATOM 0 H ASN A 23 -6.732 14.624 -14.673 1.00 75.00 H new ATOM 0 HA ASN A 23 -4.743 15.550 -16.531 1.00 75.00 H new ATOM 0 HB2 ASN A 23 -6.973 16.542 -16.414 1.00 50.00 H new ATOM 0 HB3 ASN A 23 -6.772 16.920 -14.714 1.00 50.00 H new ATOM 0 HD21 ASN A 23 -5.062 19.348 -17.613 1.00 75.00 H new ATOM 0 HD22 ASN A 23 -5.698 17.751 -18.020 1.00 75.00 H new ATOM 395 N LEU A 24 -4.197 15.947 -13.305 1.00 10.00 N ATOM 396 CA LEU A 24 -3.192 16.277 -12.279 1.00 50.00 C ATOM 397 C LEU A 24 -2.264 15.077 -12.034 1.00 50.00 C ATOM 398 O LEU A 24 -2.471 13.992 -12.588 1.00 50.00 O ATOM 399 CB LEU A 24 -3.898 16.693 -10.958 1.00 50.00 C ATOM 400 CG LEU A 24 -4.860 17.916 -11.047 1.00 75.00 C ATOM 401 CD1 LEU A 24 -5.538 18.197 -9.688 1.00 75.00 C ATOM 402 CD2 LEU A 24 -4.134 19.167 -11.590 1.00 75.00 C ATOM 0 H LEU A 24 -5.052 15.542 -12.923 1.00 10.00 H new ATOM 0 HA LEU A 24 -2.589 17.113 -12.634 1.00 50.00 H new ATOM 0 HB2 LEU A 24 -4.464 15.838 -10.588 1.00 50.00 H new ATOM 0 HB3 LEU A 24 -3.132 16.913 -10.215 1.00 50.00 H new ATOM 0 HG LEU A 24 -5.647 17.665 -11.758 1.00 75.00 H new ATOM 0 HD11 LEU A 24 -6.202 19.056 -9.784 1.00 75.00 H new ATOM 0 HD12 LEU A 24 -6.115 17.324 -9.382 1.00 75.00 H new ATOM 0 HD13 LEU A 24 -4.776 18.410 -8.938 1.00 75.00 H new ATOM 0 HD21 LEU A 24 -4.834 20.001 -11.639 1.00 75.00 H new ATOM 0 HD22 LEU A 24 -3.308 19.425 -10.927 1.00 75.00 H new ATOM 0 HD23 LEU A 24 -3.747 18.959 -12.588 1.00 75.00 H new ATOM 414 N GLU A 25 -1.234 15.290 -11.214 1.00 50.00 N ATOM 415 CA GLU A 25 -0.320 14.222 -10.772 1.00 10.00 C ATOM 416 C GLU A 25 -0.893 13.526 -9.511 1.00 10.00 C ATOM 417 O GLU A 25 -1.712 14.128 -8.796 1.00 50.00 O ATOM 418 CB GLU A 25 1.089 14.808 -10.485 1.00 50.00 C ATOM 419 CG GLU A 25 1.742 15.532 -11.679 1.00 50.00 C ATOM 420 CD GLU A 25 3.207 15.913 -11.412 1.00 75.00 C ATOM 421 OE1 GLU A 25 3.457 16.957 -10.775 1.00 75.00 O ATOM 422 OE2 GLU A 25 4.112 15.146 -11.806 1.00 75.00 O ATOM 0 H GLU A 25 -1.005 16.208 -10.834 1.00 50.00 H new ATOM 0 HA GLU A 25 -0.226 13.480 -11.565 1.00 10.00 H new ATOM 0 HB2 GLU A 25 1.014 15.506 -9.651 1.00 50.00 H new ATOM 0 HB3 GLU A 25 1.746 13.999 -10.165 1.00 50.00 H new ATOM 0 HG2 GLU A 25 1.692 14.891 -12.559 1.00 50.00 H new ATOM 0 HG3 GLU A 25 1.173 16.433 -11.908 1.00 50.00 H new ATOM 429 N PRO A 26 -0.487 12.246 -9.218 1.00 10.00 N ATOM 430 CA PRO A 26 -0.943 11.518 -8.007 1.00 50.00 C ATOM 431 C PRO A 26 -0.334 12.069 -6.699 1.00 10.00 C ATOM 432 O PRO A 26 0.655 12.816 -6.710 1.00 50.00 O ATOM 433 CB PRO A 26 -0.473 10.069 -8.282 1.00 50.00 C ATOM 434 CG PRO A 26 0.725 10.222 -9.159 1.00 50.00 C ATOM 435 CD PRO A 26 0.417 11.400 -10.051 1.00 50.00 C ATOM 0 HA PRO A 26 -2.018 11.613 -7.850 1.00 50.00 H new ATOM 0 HB2 PRO A 26 -0.223 9.551 -7.356 1.00 50.00 H new ATOM 0 HB3 PRO A 26 -1.252 9.486 -8.773 1.00 50.00 H new ATOM 0 HG2 PRO A 26 1.624 10.400 -8.569 1.00 50.00 H new ATOM 0 HG3 PRO A 26 0.901 9.320 -9.745 1.00 50.00 H new ATOM 0 HD2 PRO A 26 1.323 11.938 -10.332 1.00 50.00 H new ATOM 0 HD3 PRO A 26 -0.067 11.086 -10.976 1.00 50.00 H new ATOM 443 N ARG A 27 -0.932 11.666 -5.569 1.00 10.00 N ATOM 444 CA ARG A 27 -0.508 12.080 -4.228 1.00 10.00 C ATOM 445 C ARG A 27 -0.689 10.897 -3.270 1.00 10.00 C ATOM 446 O ARG A 27 -1.705 10.193 -3.334 1.00 50.00 O ATOM 447 CB ARG A 27 -1.336 13.307 -3.783 1.00 50.00 C ATOM 448 CG ARG A 27 -0.971 13.888 -2.401 1.00 50.00 C ATOM 449 CD ARG A 27 -1.683 15.226 -2.146 1.00 50.00 C ATOM 450 NE ARG A 27 -1.303 16.238 -3.156 1.00 50.00 N ATOM 451 CZ ARG A 27 -2.145 17.064 -3.801 1.00 75.00 C ATOM 452 NH1 ARG A 27 -3.458 17.038 -3.571 1.00 75.00 N ATOM 453 NH2 ARG A 27 -1.661 17.907 -4.692 1.00 75.00 N ATOM 0 H ARG A 27 -1.734 11.035 -5.563 1.00 10.00 H new ATOM 0 HA ARG A 27 0.543 12.370 -4.226 1.00 10.00 H new ATOM 0 HB2 ARG A 27 -1.220 14.092 -4.530 1.00 50.00 H new ATOM 0 HB3 ARG A 27 -2.390 13.029 -3.774 1.00 50.00 H new ATOM 0 HG2 ARG A 27 -1.243 13.176 -1.622 1.00 50.00 H new ATOM 0 HG3 ARG A 27 0.108 14.031 -2.339 1.00 50.00 H new ATOM 0 HD2 ARG A 27 -2.762 15.076 -2.167 1.00 50.00 H new ATOM 0 HD3 ARG A 27 -1.431 15.591 -1.150 1.00 50.00 H new ATOM 0 HE ARG A 27 -0.312 16.316 -3.384 1.00 50.00 H new ATOM 0 HH11 ARG A 27 -3.844 16.381 -2.893 1.00 75.00 H new ATOM 0 HH12 ARG A 27 -4.076 17.675 -4.073 1.00 75.00 H new ATOM 0 HH21 ARG A 27 -0.659 17.927 -4.884 1.00 75.00 H new ATOM 0 HH22 ARG A 27 -2.288 18.540 -5.189 1.00 75.00 H new ATOM 467 N TRP A 28 0.310 10.673 -2.403 1.00 10.00 N ATOM 468 CA TRP A 28 0.342 9.527 -1.475 1.00 10.00 C ATOM 469 C TRP A 28 -0.182 9.907 -0.083 1.00 10.00 C ATOM 470 O TRP A 28 -0.275 11.091 0.262 1.00 50.00 O ATOM 471 CB TRP A 28 1.785 8.953 -1.374 1.00 50.00 C ATOM 472 CG TRP A 28 2.827 9.945 -0.887 1.00 50.00 C ATOM 473 CD1 TRP A 28 3.526 10.842 -1.645 1.00 50.00 C ATOM 474 CD2 TRP A 28 3.274 10.138 0.464 1.00 50.00 C ATOM 475 NE1 TRP A 28 4.373 11.569 -0.853 1.00 50.00 N ATOM 476 CE2 TRP A 28 4.235 11.156 0.443 1.00 50.00 C ATOM 477 CE3 TRP A 28 2.949 9.547 1.691 1.00 50.00 C ATOM 478 CZ2 TRP A 28 4.879 11.596 1.597 1.00 50.00 C ATOM 479 CZ3 TRP A 28 3.587 9.983 2.836 1.00 50.00 C ATOM 480 CH2 TRP A 28 4.545 10.998 2.781 1.00 50.00 C ATOM 0 H TRP A 28 1.123 11.283 -2.324 1.00 10.00 H new ATOM 0 HA TRP A 28 -0.319 8.759 -1.876 1.00 10.00 H new ATOM 0 HB2 TRP A 28 1.775 8.096 -0.700 1.00 50.00 H new ATOM 0 HB3 TRP A 28 2.084 8.583 -2.355 1.00 50.00 H new ATOM 0 HD1 TRP A 28 3.425 10.960 -2.714 1.00 50.00 H new ATOM 0 HE1 TRP A 28 5.005 12.301 -1.177 1.00 50.00 H new ATOM 0 HE3 TRP A 28 2.210 8.761 1.742 1.00 50.00 H new ATOM 0 HZ2 TRP A 28 5.617 12.383 1.558 1.00 50.00 H new ATOM 0 HZ3 TRP A 28 3.342 9.533 3.787 1.00 50.00 H new ATOM 0 HH2 TRP A 28 5.031 11.317 3.691 1.00 50.00 H new ATOM 491 N LYS A 29 -0.508 8.875 0.711 1.00 10.00 N ATOM 492 CA LYS A 29 -0.854 9.006 2.142 1.00 10.00 C ATOM 493 C LYS A 29 -0.132 7.905 2.921 1.00 10.00 C ATOM 494 O LYS A 29 0.111 6.825 2.375 1.00 50.00 O ATOM 495 CB LYS A 29 -2.391 8.895 2.362 1.00 50.00 C ATOM 496 CG LYS A 29 -3.200 10.088 1.812 1.00 50.00 C ATOM 497 CD LYS A 29 -4.706 9.973 2.113 1.00 50.00 C ATOM 498 CE LYS A 29 -5.466 11.247 1.723 1.00 50.00 C ATOM 499 NZ LYS A 29 -4.976 12.454 2.453 1.00 75.00 N ATOM 0 H LYS A 29 -0.540 7.912 0.376 1.00 10.00 H new ATOM 0 HA LYS A 29 -0.540 9.988 2.496 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -2.749 7.980 1.889 1.00 50.00 H new ATOM 0 HB3 LYS A 29 -2.587 8.800 3.430 1.00 50.00 H new ATOM 0 HG2 LYS A 29 -2.817 11.012 2.244 1.00 50.00 H new ATOM 0 HG3 LYS A 29 -3.053 10.156 0.734 1.00 50.00 H new ATOM 0 HD2 LYS A 29 -5.121 9.123 1.571 1.00 50.00 H new ATOM 0 HD3 LYS A 29 -4.850 9.775 3.175 1.00 50.00 H new ATOM 0 HE2 LYS A 29 -5.367 11.411 0.650 1.00 50.00 H new ATOM 0 HE3 LYS A 29 -6.528 11.109 1.928 1.00 50.00 H new ATOM 0 HZ1 LYS A 29 -5.676 13.219 2.368 1.00 75.00 H new ATOM 0 HZ2 LYS A 29 -4.838 12.220 3.457 1.00 75.00 H new ATOM 0 HZ3 LYS A 29 -4.072 12.765 2.043 1.00 75.00 H new ATOM 513 N GLY A 30 0.208 8.171 4.192 1.00 10.00 N ATOM 514 CA GLY A 30 0.868 7.177 5.019 1.00 10.00 C ATOM 515 C GLY A 30 1.071 7.650 6.456 1.00 10.00 C ATOM 516 O GLY A 30 0.734 8.791 6.778 1.00 50.00 O ATOM 0 H GLY A 30 0.034 9.062 4.657 1.00 10.00 H new ATOM 0 HA2 GLY A 30 0.277 6.261 5.022 1.00 10.00 H new ATOM 0 HA3 GLY A 30 1.835 6.930 4.582 1.00 10.00 H new ATOM 520 N PRO A 31 1.668 6.801 7.347 1.00 10.00 N ATOM 521 CA PRO A 31 2.152 5.443 7.006 1.00 10.00 C ATOM 522 C PRO A 31 1.086 4.329 7.201 1.00 10.00 C ATOM 523 O PRO A 31 0.207 4.420 8.064 1.00 50.00 O ATOM 524 CB PRO A 31 3.344 5.280 7.970 1.00 50.00 C ATOM 525 CG PRO A 31 2.988 6.085 9.191 1.00 50.00 C ATOM 526 CD PRO A 31 1.944 7.117 8.774 1.00 50.00 C ATOM 0 HA PRO A 31 2.409 5.342 5.952 1.00 10.00 H new ATOM 0 HB2 PRO A 31 3.503 4.232 8.224 1.00 50.00 H new ATOM 0 HB3 PRO A 31 4.267 5.642 7.517 1.00 50.00 H new ATOM 0 HG2 PRO A 31 2.595 5.438 9.975 1.00 50.00 H new ATOM 0 HG3 PRO A 31 3.872 6.577 9.597 1.00 50.00 H new ATOM 0 HD2 PRO A 31 1.042 7.039 9.381 1.00 50.00 H new ATOM 0 HD3 PRO A 31 2.320 8.133 8.891 1.00 50.00 H new ATOM 534 N TYR A 32 1.187 3.292 6.361 1.00 10.00 N ATOM 535 CA TYR A 32 0.316 2.093 6.385 1.00 10.00 C ATOM 536 C TYR A 32 1.180 0.835 6.608 1.00 10.00 C ATOM 537 O TYR A 32 2.412 0.922 6.630 1.00 50.00 O ATOM 538 CB TYR A 32 -0.455 1.955 5.046 1.00 50.00 C ATOM 539 CG TYR A 32 -1.564 2.988 4.797 1.00 50.00 C ATOM 540 CD1 TYR A 32 -1.271 4.270 4.340 1.00 50.00 C ATOM 541 CD2 TYR A 32 -2.911 2.666 5.006 1.00 50.00 C ATOM 542 CE1 TYR A 32 -2.273 5.197 4.110 1.00 50.00 C ATOM 543 CE2 TYR A 32 -3.915 3.590 4.774 1.00 50.00 C ATOM 544 CZ TYR A 32 -3.591 4.850 4.325 1.00 50.00 C ATOM 545 OH TYR A 32 -4.594 5.774 4.097 1.00 50.00 O ATOM 0 H TYR A 32 1.892 3.255 5.625 1.00 10.00 H new ATOM 0 HA TYR A 32 -0.403 2.199 7.197 1.00 10.00 H new ATOM 0 HB2 TYR A 32 0.263 2.018 4.228 1.00 50.00 H new ATOM 0 HB3 TYR A 32 -0.897 0.960 5.006 1.00 50.00 H new ATOM 0 HD1 TYR A 32 -0.242 4.547 4.162 1.00 50.00 H new ATOM 0 HD2 TYR A 32 -3.171 1.678 5.355 1.00 50.00 H new ATOM 0 HE1 TYR A 32 -2.024 6.189 3.763 1.00 50.00 H new ATOM 0 HE2 TYR A 32 -4.948 3.324 4.944 1.00 50.00 H new ATOM 0 HH TYR A 32 -5.464 5.369 4.296 1.00 50.00 H new ATOM 555 N THR A 33 0.522 -0.343 6.739 1.00 10.00 N ATOM 556 CA THR A 33 1.209 -1.635 6.941 1.00 10.00 C ATOM 557 C THR A 33 0.500 -2.777 6.174 1.00 10.00 C ATOM 558 O THR A 33 -0.656 -3.089 6.460 1.00 50.00 O ATOM 559 CB THR A 33 1.310 -1.987 8.472 1.00 50.00 C ATOM 560 OG1 THR A 33 0.067 -1.693 9.137 1.00 50.00 O ATOM 561 CG2 THR A 33 2.468 -1.240 9.167 1.00 50.00 C ATOM 0 H THR A 33 -0.495 -0.420 6.707 1.00 10.00 H new ATOM 0 HA THR A 33 2.218 -1.533 6.541 1.00 10.00 H new ATOM 0 HB THR A 33 1.517 -3.055 8.543 1.00 50.00 H new ATOM 0 HG1 THR A 33 0.249 -1.382 10.048 1.00 50.00 H new ATOM 0 HG21 THR A 33 2.498 -1.515 10.221 1.00 50.00 H new ATOM 0 HG22 THR A 33 3.412 -1.512 8.694 1.00 50.00 H new ATOM 0 HG23 THR A 33 2.314 -0.165 9.077 1.00 50.00 H new ATOM 569 N VAL A 34 1.198 -3.395 5.190 1.00 10.00 N ATOM 570 CA VAL A 34 0.666 -4.555 4.441 1.00 10.00 C ATOM 571 C VAL A 34 0.701 -5.808 5.330 1.00 10.00 C ATOM 572 O VAL A 34 1.674 -6.019 6.086 1.00 50.00 O ATOM 573 CB VAL A 34 1.463 -4.853 3.112 1.00 50.00 C ATOM 574 CG1 VAL A 34 0.781 -5.950 2.265 1.00 50.00 C ATOM 575 CG2 VAL A 34 1.679 -3.583 2.280 1.00 50.00 C ATOM 0 H VAL A 34 2.132 -3.107 4.898 1.00 10.00 H new ATOM 0 HA VAL A 34 -0.357 -4.301 4.162 1.00 10.00 H new ATOM 0 HB VAL A 34 2.442 -5.226 3.414 1.00 50.00 H new ATOM 0 HG11 VAL A 34 1.362 -6.124 1.359 1.00 50.00 H new ATOM 0 HG12 VAL A 34 0.724 -6.873 2.843 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -0.225 -5.628 1.995 1.00 50.00 H new ATOM 0 HG21 VAL A 34 2.231 -3.831 1.374 1.00 50.00 H new ATOM 0 HG22 VAL A 34 0.713 -3.156 2.011 1.00 50.00 H new ATOM 0 HG23 VAL A 34 2.246 -2.858 2.863 1.00 50.00 H new ATOM 585 N LEU A 35 -0.374 -6.612 5.222 1.00 10.00 N ATOM 586 CA LEU A 35 -0.562 -7.863 5.977 1.00 10.00 C ATOM 587 C LEU A 35 -0.523 -9.065 5.020 1.00 10.00 C ATOM 588 O LEU A 35 0.136 -10.078 5.295 1.00 50.00 O ATOM 589 CB LEU A 35 -1.920 -7.817 6.727 1.00 50.00 C ATOM 590 CG LEU A 35 -2.099 -6.625 7.708 1.00 50.00 C ATOM 591 CD1 LEU A 35 -3.516 -6.608 8.322 1.00 50.00 C ATOM 592 CD2 LEU A 35 -1.005 -6.638 8.797 1.00 50.00 C ATOM 0 H LEU A 35 -1.151 -6.405 4.594 1.00 10.00 H new ATOM 0 HA LEU A 35 0.243 -7.971 6.704 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -2.722 -7.782 5.990 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -2.039 -8.746 7.285 1.00 50.00 H new ATOM 0 HG LEU A 35 -1.986 -5.702 7.139 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -3.607 -5.762 9.003 1.00 50.00 H new ATOM 0 HD12 LEU A 35 -4.256 -6.515 7.527 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -3.686 -7.535 8.870 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -1.152 -5.794 9.471 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -1.065 -7.568 9.362 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -0.024 -6.561 8.328 1.00 50.00 H new ATOM 604 N LEU A 36 -1.246 -8.933 3.895 1.00 10.00 N ATOM 605 CA LEU A 36 -1.371 -9.997 2.879 1.00 10.00 C ATOM 606 C LEU A 36 -1.019 -9.426 1.498 1.00 10.00 C ATOM 607 O LEU A 36 -1.301 -8.263 1.209 1.00 50.00 O ATOM 608 CB LEU A 36 -2.818 -10.583 2.878 1.00 50.00 C ATOM 609 CG LEU A 36 -3.146 -11.652 1.780 1.00 50.00 C ATOM 610 CD1 LEU A 36 -2.298 -12.930 1.958 1.00 50.00 C ATOM 611 CD2 LEU A 36 -4.660 -11.972 1.748 1.00 50.00 C ATOM 0 H LEU A 36 -1.762 -8.084 3.662 1.00 10.00 H new ATOM 0 HA LEU A 36 -0.680 -10.805 3.118 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -3.004 -11.031 3.854 1.00 50.00 H new ATOM 0 HB3 LEU A 36 -3.519 -9.756 2.767 1.00 50.00 H new ATOM 0 HG LEU A 36 -2.879 -11.224 0.814 1.00 50.00 H new ATOM 0 HD11 LEU A 36 -2.554 -13.648 1.178 1.00 50.00 H new ATOM 0 HD12 LEU A 36 -1.240 -12.678 1.886 1.00 50.00 H new ATOM 0 HD13 LEU A 36 -2.501 -13.368 2.935 1.00 50.00 H new ATOM 0 HD21 LEU A 36 -4.858 -12.716 0.977 1.00 50.00 H new ATOM 0 HD22 LEU A 36 -4.970 -12.362 2.717 1.00 50.00 H new ATOM 0 HD23 LEU A 36 -5.219 -11.063 1.527 1.00 50.00 H new ATOM 623 N THR A 37 -0.403 -10.253 0.652 1.00 10.00 N ATOM 624 CA THR A 37 -0.046 -9.894 -0.726 1.00 10.00 C ATOM 625 C THR A 37 -0.549 -10.991 -1.681 1.00 10.00 C ATOM 626 O THR A 37 -0.324 -12.183 -1.442 1.00 50.00 O ATOM 627 CB THR A 37 1.508 -9.699 -0.897 1.00 50.00 C ATOM 628 OG1 THR A 37 2.226 -10.885 -0.515 1.00 50.00 O ATOM 629 CG2 THR A 37 2.032 -8.519 -0.068 1.00 50.00 C ATOM 0 H THR A 37 -0.134 -11.204 0.905 1.00 10.00 H new ATOM 0 HA THR A 37 -0.521 -8.943 -0.965 1.00 10.00 H new ATOM 0 HB THR A 37 1.676 -9.492 -1.954 1.00 50.00 H new ATOM 0 HG1 THR A 37 1.685 -11.407 0.113 1.00 50.00 H new ATOM 0 HG21 THR A 37 3.108 -8.420 -0.215 1.00 50.00 H new ATOM 0 HG22 THR A 37 1.536 -7.602 -0.387 1.00 50.00 H new ATOM 0 HG23 THR A 37 1.825 -8.695 0.987 1.00 50.00 H new ATOM 637 N THR A 38 -1.263 -10.573 -2.731 1.00 10.00 N ATOM 638 CA THR A 38 -1.752 -11.445 -3.809 1.00 10.00 C ATOM 639 C THR A 38 -1.275 -10.855 -5.166 1.00 10.00 C ATOM 640 O THR A 38 -0.856 -9.689 -5.199 1.00 50.00 O ATOM 641 CB THR A 38 -3.329 -11.568 -3.737 1.00 50.00 C ATOM 642 OG1 THR A 38 -3.937 -10.261 -3.714 1.00 50.00 O ATOM 643 CG2 THR A 38 -3.796 -12.359 -2.496 1.00 50.00 C ATOM 0 H THR A 38 -1.524 -9.596 -2.860 1.00 10.00 H new ATOM 0 HA THR A 38 -1.351 -12.453 -3.703 1.00 10.00 H new ATOM 0 HB THR A 38 -3.642 -12.111 -4.629 1.00 50.00 H new ATOM 0 HG1 THR A 38 -3.243 -9.576 -3.811 1.00 50.00 H new ATOM 0 HG21 THR A 38 -4.884 -12.417 -2.490 1.00 50.00 H new ATOM 0 HG22 THR A 38 -3.379 -13.366 -2.528 1.00 50.00 H new ATOM 0 HG23 THR A 38 -3.454 -11.854 -1.593 1.00 50.00 H new ATOM 651 N PRO A 39 -1.278 -11.637 -6.298 1.00 10.00 N ATOM 652 CA PRO A 39 -0.856 -11.130 -7.636 1.00 10.00 C ATOM 653 C PRO A 39 -1.487 -9.763 -8.030 1.00 10.00 C ATOM 654 O PRO A 39 -2.714 -9.627 -8.072 1.00 50.00 O ATOM 655 CB PRO A 39 -1.326 -12.251 -8.588 1.00 50.00 C ATOM 656 CG PRO A 39 -1.230 -13.499 -7.768 1.00 50.00 C ATOM 657 CD PRO A 39 -1.620 -13.091 -6.361 1.00 50.00 C ATOM 0 HA PRO A 39 0.215 -10.928 -7.665 1.00 10.00 H new ATOM 0 HB2 PRO A 39 -2.346 -12.079 -8.932 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -0.696 -12.309 -9.475 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -1.896 -14.272 -8.151 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -0.220 -13.908 -7.792 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -2.681 -13.260 -6.176 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -1.071 -13.663 -5.613 1.00 50.00 H new ATOM 665 N THR A 40 -0.606 -8.757 -8.224 1.00 10.00 N ATOM 666 CA THR A 40 -0.933 -7.372 -8.654 1.00 10.00 C ATOM 667 C THR A 40 -1.851 -6.607 -7.668 1.00 10.00 C ATOM 668 O THR A 40 -2.316 -5.514 -7.991 1.00 50.00 O ATOM 669 CB THR A 40 -1.515 -7.301 -10.125 1.00 50.00 C ATOM 670 OG1 THR A 40 -2.818 -7.907 -10.215 1.00 50.00 O ATOM 671 CG2 THR A 40 -0.576 -7.977 -11.145 1.00 50.00 C ATOM 0 H THR A 40 0.395 -8.889 -8.080 1.00 10.00 H new ATOM 0 HA THR A 40 0.030 -6.861 -8.650 1.00 10.00 H new ATOM 0 HB THR A 40 -1.599 -6.241 -10.365 1.00 50.00 H new ATOM 0 HG1 THR A 40 -2.955 -8.502 -9.449 1.00 50.00 H new ATOM 0 HG21 THR A 40 -1.011 -7.907 -12.142 1.00 50.00 H new ATOM 0 HG22 THR A 40 0.392 -7.476 -11.136 1.00 50.00 H new ATOM 0 HG23 THR A 40 -0.445 -9.026 -10.879 1.00 50.00 H new ATOM 679 N ALA A 41 -2.074 -7.151 -6.451 1.00 10.00 N ATOM 680 CA ALA A 41 -2.996 -6.542 -5.466 1.00 10.00 C ATOM 681 C ALA A 41 -2.519 -6.841 -4.040 1.00 10.00 C ATOM 682 O ALA A 41 -2.351 -7.999 -3.669 1.00 50.00 O ATOM 683 CB ALA A 41 -4.426 -7.067 -5.695 1.00 50.00 C ATOM 0 H ALA A 41 -1.629 -8.010 -6.127 1.00 10.00 H new ATOM 0 HA ALA A 41 -3.002 -5.460 -5.599 1.00 10.00 H new ATOM 0 HB1 ALA A 41 -5.100 -6.615 -4.967 1.00 50.00 H new ATOM 0 HB2 ALA A 41 -4.752 -6.807 -6.702 1.00 50.00 H new ATOM 0 HB3 ALA A 41 -4.439 -8.151 -5.578 1.00 50.00 H new ATOM 689 N LEU A 42 -2.295 -5.793 -3.240 1.00 10.00 N ATOM 690 CA LEU A 42 -1.749 -5.923 -1.882 1.00 10.00 C ATOM 691 C LEU A 42 -2.833 -5.566 -0.861 1.00 10.00 C ATOM 692 O LEU A 42 -3.405 -4.472 -0.926 1.00 50.00 O ATOM 693 CB LEU A 42 -0.505 -5.000 -1.712 1.00 50.00 C ATOM 694 CG LEU A 42 0.596 -5.118 -2.817 1.00 50.00 C ATOM 695 CD1 LEU A 42 1.809 -4.222 -2.503 1.00 50.00 C ATOM 696 CD2 LEU A 42 1.030 -6.581 -3.046 1.00 50.00 C ATOM 0 H LEU A 42 -2.487 -4.830 -3.515 1.00 10.00 H new ATOM 0 HA LEU A 42 -1.432 -6.952 -1.715 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -0.847 -3.966 -1.678 1.00 50.00 H new ATOM 0 HB3 LEU A 42 -0.047 -5.216 -0.747 1.00 50.00 H new ATOM 0 HG LEU A 42 0.151 -4.763 -3.746 1.00 50.00 H new ATOM 0 HD11 LEU A 42 2.554 -4.329 -3.291 1.00 50.00 H new ATOM 0 HD12 LEU A 42 1.488 -3.182 -2.446 1.00 50.00 H new ATOM 0 HD13 LEU A 42 2.244 -4.520 -1.549 1.00 50.00 H new ATOM 0 HD21 LEU A 42 1.796 -6.616 -3.821 1.00 50.00 H new ATOM 0 HD22 LEU A 42 1.433 -6.990 -2.119 1.00 50.00 H new ATOM 0 HD23 LEU A 42 0.169 -7.171 -3.359 1.00 50.00 H new ATOM 708 N LYS A 43 -3.111 -6.485 0.071 1.00 10.00 N ATOM 709 CA LYS A 43 -4.057 -6.234 1.160 1.00 10.00 C ATOM 710 C LYS A 43 -3.309 -5.547 2.312 1.00 10.00 C ATOM 711 O LYS A 43 -2.488 -6.170 3.019 1.00 50.00 O ATOM 712 CB LYS A 43 -4.721 -7.549 1.644 1.00 50.00 C ATOM 713 CG LYS A 43 -5.659 -7.367 2.859 1.00 50.00 C ATOM 714 CD LYS A 43 -6.400 -8.660 3.247 1.00 50.00 C ATOM 715 CE LYS A 43 -7.340 -8.448 4.439 1.00 50.00 C ATOM 716 NZ LYS A 43 -8.072 -9.691 4.799 1.00 75.00 N ATOM 0 H LYS A 43 -2.690 -7.414 0.091 1.00 10.00 H new ATOM 0 HA LYS A 43 -4.856 -5.586 0.799 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -5.289 -7.982 0.821 1.00 50.00 H new ATOM 0 HB3 LYS A 43 -3.941 -8.264 1.904 1.00 50.00 H new ATOM 0 HG2 LYS A 43 -5.076 -7.019 3.712 1.00 50.00 H new ATOM 0 HG3 LYS A 43 -6.389 -6.590 2.634 1.00 50.00 H new ATOM 0 HD2 LYS A 43 -6.974 -9.019 2.393 1.00 50.00 H new ATOM 0 HD3 LYS A 43 -5.673 -9.435 3.492 1.00 50.00 H new ATOM 0 HE2 LYS A 43 -6.764 -8.105 5.298 1.00 50.00 H new ATOM 0 HE3 LYS A 43 -8.056 -7.662 4.201 1.00 50.00 H new ATOM 0 HZ1 LYS A 43 -8.696 -9.504 5.609 1.00 75.00 H new ATOM 0 HZ2 LYS A 43 -8.642 -10.005 3.988 1.00 75.00 H new ATOM 0 HZ3 LYS A 43 -7.390 -10.435 5.052 1.00 75.00 H new ATOM 730 N VAL A 44 -3.618 -4.260 2.478 1.00 10.00 N ATOM 731 CA VAL A 44 -2.982 -3.367 3.448 1.00 10.00 C ATOM 732 C VAL A 44 -4.001 -3.039 4.556 1.00 10.00 C ATOM 733 O VAL A 44 -5.200 -2.948 4.271 1.00 50.00 O ATOM 734 CB VAL A 44 -2.526 -2.029 2.744 1.00 50.00 C ATOM 735 CG1 VAL A 44 -1.656 -1.174 3.678 1.00 50.00 C ATOM 736 CG2 VAL A 44 -1.812 -2.303 1.399 1.00 50.00 C ATOM 0 H VAL A 44 -4.339 -3.797 1.925 1.00 10.00 H new ATOM 0 HA VAL A 44 -2.105 -3.856 3.871 1.00 10.00 H new ATOM 0 HB VAL A 44 -3.427 -1.459 2.519 1.00 50.00 H new ATOM 0 HG11 VAL A 44 -1.359 -0.260 3.163 1.00 50.00 H new ATOM 0 HG12 VAL A 44 -2.225 -0.918 4.572 1.00 50.00 H new ATOM 0 HG13 VAL A 44 -0.766 -1.736 3.962 1.00 50.00 H new ATOM 0 HG21 VAL A 44 -1.514 -1.357 0.946 1.00 50.00 H new ATOM 0 HG22 VAL A 44 -0.928 -2.916 1.575 1.00 50.00 H new ATOM 0 HG23 VAL A 44 -2.491 -2.829 0.727 1.00 50.00 H new ATOM 746 N ASP A 45 -3.533 -2.851 5.801 1.00 10.00 N ATOM 747 CA ASP A 45 -4.403 -2.410 6.908 1.00 10.00 C ATOM 748 C ASP A 45 -4.826 -0.951 6.686 1.00 10.00 C ATOM 749 O ASP A 45 -3.984 -0.101 6.380 1.00 50.00 O ATOM 750 CB ASP A 45 -3.685 -2.563 8.267 1.00 50.00 C ATOM 751 CG ASP A 45 -4.601 -2.235 9.466 1.00 50.00 C ATOM 752 OD1 ASP A 45 -5.414 -3.104 9.850 1.00 50.00 O ATOM 753 OD2 ASP A 45 -4.544 -1.097 10.004 1.00 50.00 O ATOM 0 H ASP A 45 -2.559 -2.997 6.068 1.00 10.00 H new ATOM 0 HA ASP A 45 -5.292 -3.040 6.925 1.00 10.00 H new ATOM 0 HB2 ASP A 45 -3.316 -3.584 8.365 1.00 50.00 H new ATOM 0 HB3 ASP A 45 -2.815 -1.907 8.289 1.00 50.00 H new ATOM 758 N GLY A 46 -6.128 -0.679 6.845 1.00 10.00 N ATOM 759 CA GLY A 46 -6.690 0.639 6.546 1.00 10.00 C ATOM 760 C GLY A 46 -7.392 0.666 5.195 1.00 10.00 C ATOM 761 O GLY A 46 -8.052 1.651 4.852 1.00 50.00 O ATOM 0 H GLY A 46 -6.811 -1.358 7.180 1.00 10.00 H new ATOM 0 HA2 GLY A 46 -7.397 0.918 7.328 1.00 10.00 H new ATOM 0 HA3 GLY A 46 -5.894 1.383 6.556 1.00 10.00 H new ATOM 765 N ILE A 47 -7.247 -0.434 4.425 1.00 10.00 N ATOM 766 CA ILE A 47 -7.838 -0.583 3.081 1.00 10.00 C ATOM 767 C ILE A 47 -9.050 -1.529 3.130 1.00 10.00 C ATOM 768 O ILE A 47 -9.089 -2.442 3.968 1.00 50.00 O ATOM 769 CB ILE A 47 -6.743 -1.112 2.082 1.00 50.00 C ATOM 770 CG1 ILE A 47 -5.565 -0.083 1.969 1.00 50.00 C ATOM 771 CG2 ILE A 47 -7.323 -1.472 0.693 1.00 50.00 C ATOM 772 CD1 ILE A 47 -5.964 1.334 1.569 1.00 50.00 C ATOM 0 H ILE A 47 -6.712 -1.249 4.723 1.00 10.00 H new ATOM 0 HA ILE A 47 -8.190 0.387 2.730 1.00 10.00 H new ATOM 0 HB ILE A 47 -6.352 -2.043 2.492 1.00 50.00 H new ATOM 0 HG12 ILE A 47 -5.051 -0.039 2.929 1.00 50.00 H new ATOM 0 HG13 ILE A 47 -4.847 -0.459 1.240 1.00 50.00 H new ATOM 0 HG21 ILE A 47 -6.522 -1.831 0.046 1.00 50.00 H new ATOM 0 HG22 ILE A 47 -8.077 -2.252 0.804 1.00 50.00 H new ATOM 0 HG23 ILE A 47 -7.779 -0.587 0.249 1.00 50.00 H new ATOM 0 HD11 ILE A 47 -5.075 1.962 1.521 1.00 50.00 H new ATOM 0 HD12 ILE A 47 -6.448 1.314 0.592 1.00 50.00 H new ATOM 0 HD13 ILE A 47 -6.655 1.740 2.308 1.00 50.00 H new ATOM 784 N ALA A 48 -10.031 -1.301 2.218 1.00 10.00 N ATOM 785 CA ALA A 48 -11.288 -2.072 2.146 1.00 10.00 C ATOM 786 C ALA A 48 -11.030 -3.577 1.947 1.00 10.00 C ATOM 787 O ALA A 48 -11.573 -4.402 2.692 1.00 50.00 O ATOM 788 CB ALA A 48 -12.182 -1.516 1.025 1.00 50.00 C ATOM 0 H ALA A 48 -9.966 -0.570 1.509 1.00 10.00 H new ATOM 0 HA ALA A 48 -11.804 -1.962 3.100 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -13.107 -2.090 0.979 1.00 50.00 H new ATOM 0 HB2 ALA A 48 -12.414 -0.471 1.229 1.00 50.00 H new ATOM 0 HB3 ALA A 48 -11.660 -1.592 0.071 1.00 50.00 H new ATOM 794 N ALA A 49 -10.204 -3.922 0.941 1.00 10.00 N ATOM 795 CA ALA A 49 -9.778 -5.315 0.713 1.00 10.00 C ATOM 796 C ALA A 49 -8.385 -5.381 0.062 1.00 10.00 C ATOM 797 O ALA A 49 -7.473 -5.981 0.621 1.00 50.00 O ATOM 798 CB ALA A 49 -10.822 -6.048 -0.142 1.00 50.00 C ATOM 0 H ALA A 49 -9.819 -3.254 0.273 1.00 10.00 H new ATOM 0 HA ALA A 49 -9.703 -5.813 1.680 1.00 10.00 H new ATOM 0 HB1 ALA A 49 -10.501 -7.076 -0.306 1.00 50.00 H new ATOM 0 HB2 ALA A 49 -11.782 -6.046 0.375 1.00 50.00 H new ATOM 0 HB3 ALA A 49 -10.926 -5.543 -1.102 1.00 50.00 H new ATOM 804 N TRP A 50 -8.217 -4.742 -1.112 1.00 10.00 N ATOM 805 CA TRP A 50 -6.926 -4.748 -1.855 1.00 10.00 C ATOM 806 C TRP A 50 -6.670 -3.385 -2.526 1.00 10.00 C ATOM 807 O TRP A 50 -7.608 -2.683 -2.910 1.00 50.00 O ATOM 808 CB TRP A 50 -6.891 -5.867 -2.942 1.00 50.00 C ATOM 809 CG TRP A 50 -6.840 -7.286 -2.411 1.00 50.00 C ATOM 810 CD1 TRP A 50 -5.739 -7.953 -1.948 1.00 50.00 C ATOM 811 CD2 TRP A 50 -7.935 -8.204 -2.298 1.00 50.00 C ATOM 812 NE1 TRP A 50 -6.086 -9.221 -1.556 1.00 50.00 N ATOM 813 CE2 TRP A 50 -7.426 -9.396 -1.757 1.00 50.00 C ATOM 814 CE3 TRP A 50 -9.297 -8.127 -2.602 1.00 50.00 C ATOM 815 CZ2 TRP A 50 -8.233 -10.504 -1.517 1.00 50.00 C ATOM 816 CZ3 TRP A 50 -10.099 -9.224 -2.360 1.00 50.00 C ATOM 817 CH2 TRP A 50 -9.565 -10.400 -1.822 1.00 50.00 C ATOM 0 H TRP A 50 -8.956 -4.212 -1.573 1.00 10.00 H new ATOM 0 HA TRP A 50 -6.143 -4.946 -1.123 1.00 10.00 H new ATOM 0 HB2 TRP A 50 -7.774 -5.765 -3.574 1.00 50.00 H new ATOM 0 HB3 TRP A 50 -6.022 -5.704 -3.580 1.00 50.00 H new ATOM 0 HD1 TRP A 50 -4.742 -7.541 -1.898 1.00 50.00 H new ATOM 0 HE1 TRP A 50 -5.447 -9.920 -1.176 1.00 50.00 H new ATOM 0 HE3 TRP A 50 -9.715 -7.223 -3.020 1.00 50.00 H new ATOM 0 HZ2 TRP A 50 -7.824 -11.414 -1.105 1.00 50.00 H new ATOM 0 HZ3 TRP A 50 -11.153 -9.174 -2.589 1.00 50.00 H new ATOM 0 HH2 TRP A 50 -10.216 -11.243 -1.643 1.00 50.00 H new ATOM 828 N ILE A 51 -5.381 -3.032 -2.668 1.00 10.00 N ATOM 829 CA ILE A 51 -4.918 -1.911 -3.507 1.00 10.00 C ATOM 830 C ILE A 51 -3.943 -2.473 -4.552 1.00 10.00 C ATOM 831 O ILE A 51 -2.991 -3.157 -4.181 1.00 50.00 O ATOM 832 CB ILE A 51 -4.196 -0.789 -2.653 1.00 50.00 C ATOM 833 CG1 ILE A 51 -5.196 -0.026 -1.743 1.00 50.00 C ATOM 834 CG2 ILE A 51 -3.431 0.208 -3.543 1.00 50.00 C ATOM 835 CD1 ILE A 51 -6.271 0.768 -2.475 1.00 50.00 C ATOM 0 H ILE A 51 -4.621 -3.523 -2.198 1.00 10.00 H new ATOM 0 HA ILE A 51 -5.782 -1.446 -3.982 1.00 10.00 H new ATOM 0 HB ILE A 51 -3.475 -1.304 -2.018 1.00 50.00 H new ATOM 0 HG12 ILE A 51 -5.684 -0.745 -1.085 1.00 50.00 H new ATOM 0 HG13 ILE A 51 -4.634 0.657 -1.107 1.00 50.00 H new ATOM 0 HG21 ILE A 51 -2.951 0.960 -2.917 1.00 50.00 H new ATOM 0 HG22 ILE A 51 -2.673 -0.324 -4.117 1.00 50.00 H new ATOM 0 HG23 ILE A 51 -4.127 0.695 -4.226 1.00 50.00 H new ATOM 0 HD11 ILE A 51 -6.916 1.262 -1.749 1.00 50.00 H new ATOM 0 HD12 ILE A 51 -5.800 1.517 -3.111 1.00 50.00 H new ATOM 0 HD13 ILE A 51 -6.867 0.093 -3.089 1.00 50.00 H new ATOM 847 N HIS A 52 -4.173 -2.165 -5.841 1.00 10.00 N ATOM 848 CA HIS A 52 -3.313 -2.637 -6.944 1.00 10.00 C ATOM 849 C HIS A 52 -1.867 -2.127 -6.743 1.00 10.00 C ATOM 850 O HIS A 52 -1.663 -0.944 -6.440 1.00 50.00 O ATOM 851 CB HIS A 52 -3.893 -2.174 -8.305 1.00 50.00 C ATOM 852 CG HIS A 52 -3.225 -2.786 -9.516 1.00 50.00 C ATOM 853 ND1 HIS A 52 -2.037 -2.320 -10.039 1.00 50.00 N ATOM 854 CD2 HIS A 52 -3.599 -3.817 -10.317 1.00 50.00 C ATOM 855 CE1 HIS A 52 -1.702 -3.045 -11.089 1.00 50.00 C ATOM 856 NE2 HIS A 52 -2.633 -3.957 -11.281 1.00 50.00 N ATOM 0 H HIS A 52 -4.955 -1.586 -6.147 1.00 10.00 H new ATOM 0 HA HIS A 52 -3.288 -3.727 -6.943 1.00 10.00 H new ATOM 0 HB2 HIS A 52 -4.956 -2.414 -8.333 1.00 50.00 H new ATOM 0 HB3 HIS A 52 -3.810 -1.089 -8.370 1.00 50.00 H new ATOM 0 HD2 HIS A 52 -4.492 -4.416 -10.214 1.00 50.00 H new ATOM 0 HE1 HIS A 52 -0.814 -2.913 -11.690 1.00 50.00 H new ATOM 0 HE2 HIS A 52 -2.635 -4.654 -12.026 1.00 50.00 H new ATOM 865 N ALA A 53 -0.895 -3.034 -6.965 1.00 10.00 N ATOM 866 CA ALA A 53 0.513 -2.905 -6.509 1.00 10.00 C ATOM 867 C ALA A 53 1.213 -1.583 -6.911 1.00 10.00 C ATOM 868 O ALA A 53 2.035 -1.069 -6.145 1.00 50.00 O ATOM 869 CB ALA A 53 1.329 -4.117 -6.999 1.00 50.00 C ATOM 0 H ALA A 53 -1.066 -3.899 -7.478 1.00 10.00 H new ATOM 0 HA ALA A 53 0.472 -2.881 -5.420 1.00 10.00 H new ATOM 0 HB1 ALA A 53 2.362 -4.020 -6.663 1.00 50.00 H new ATOM 0 HB2 ALA A 53 0.900 -5.033 -6.593 1.00 50.00 H new ATOM 0 HB3 ALA A 53 1.304 -4.156 -8.088 1.00 50.00 H new ATOM 875 N ALA A 54 0.874 -1.030 -8.088 1.00 10.00 N ATOM 876 CA ALA A 54 1.529 0.195 -8.610 1.00 10.00 C ATOM 877 C ALA A 54 1.217 1.440 -7.752 1.00 10.00 C ATOM 878 O ALA A 54 2.037 2.364 -7.680 1.00 50.00 O ATOM 879 CB ALA A 54 1.148 0.422 -10.078 1.00 50.00 C ATOM 0 H ALA A 54 0.151 -1.407 -8.700 1.00 10.00 H new ATOM 0 HA ALA A 54 2.606 0.039 -8.550 1.00 10.00 H new ATOM 0 HB1 ALA A 54 1.637 1.324 -10.445 1.00 50.00 H new ATOM 0 HB2 ALA A 54 1.469 -0.433 -10.674 1.00 50.00 H new ATOM 0 HB3 ALA A 54 0.067 0.536 -10.160 1.00 50.00 H new ATOM 885 N HIS A 55 0.051 1.437 -7.077 1.00 10.00 N ATOM 886 CA HIS A 55 -0.326 2.511 -6.127 1.00 10.00 C ATOM 887 C HIS A 55 0.562 2.479 -4.867 1.00 10.00 C ATOM 888 O HIS A 55 0.755 3.497 -4.215 1.00 50.00 O ATOM 889 CB HIS A 55 -1.796 2.376 -5.669 1.00 50.00 C ATOM 890 CG HIS A 55 -2.857 2.576 -6.716 1.00 50.00 C ATOM 891 ND1 HIS A 55 -3.250 3.820 -7.160 1.00 50.00 N ATOM 892 CD2 HIS A 55 -3.672 1.689 -7.336 1.00 50.00 C ATOM 893 CE1 HIS A 55 -4.253 3.687 -8.005 1.00 50.00 C ATOM 894 NE2 HIS A 55 -4.526 2.406 -8.132 1.00 50.00 N ATOM 0 H HIS A 55 -0.650 0.702 -7.170 1.00 10.00 H new ATOM 0 HA HIS A 55 -0.189 3.451 -6.661 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -1.927 1.383 -5.239 1.00 50.00 H new ATOM 0 HB3 HIS A 55 -1.969 3.096 -4.869 1.00 50.00 H new ATOM 0 HD1 HIS A 55 -2.830 4.706 -6.879 1.00 50.00 H new ATOM 0 HD2 HIS A 55 -3.652 0.615 -7.224 1.00 50.00 H new ATOM 0 HE1 HIS A 55 -4.765 4.494 -8.508 1.00 50.00 H new ATOM 903 N VAL A 56 1.118 1.306 -4.551 1.00 10.00 N ATOM 904 CA VAL A 56 1.775 1.065 -3.256 1.00 10.00 C ATOM 905 C VAL A 56 3.294 1.257 -3.381 1.00 10.00 C ATOM 906 O VAL A 56 3.931 0.652 -4.245 1.00 50.00 O ATOM 907 CB VAL A 56 1.472 -0.394 -2.736 1.00 50.00 C ATOM 908 CG1 VAL A 56 2.132 -0.663 -1.366 1.00 50.00 C ATOM 909 CG2 VAL A 56 -0.048 -0.674 -2.685 1.00 50.00 C ATOM 0 H VAL A 56 1.128 0.501 -5.177 1.00 10.00 H new ATOM 0 HA VAL A 56 1.378 1.785 -2.541 1.00 10.00 H new ATOM 0 HB VAL A 56 1.914 -1.085 -3.454 1.00 50.00 H new ATOM 0 HG11 VAL A 56 1.899 -1.678 -1.043 1.00 50.00 H new ATOM 0 HG12 VAL A 56 3.212 -0.549 -1.454 1.00 50.00 H new ATOM 0 HG13 VAL A 56 1.751 0.047 -0.633 1.00 50.00 H new ATOM 0 HG21 VAL A 56 -0.219 -1.688 -2.322 1.00 50.00 H new ATOM 0 HG22 VAL A 56 -0.527 0.038 -2.012 1.00 50.00 H new ATOM 0 HG23 VAL A 56 -0.471 -0.570 -3.684 1.00 50.00 H new ATOM 919 N LYS A 57 3.847 2.125 -2.525 1.00 10.00 N ATOM 920 CA LYS A 57 5.292 2.299 -2.358 1.00 10.00 C ATOM 921 C LYS A 57 5.714 1.672 -1.027 1.00 10.00 C ATOM 922 O LYS A 57 5.153 2.014 0.007 1.00 50.00 O ATOM 923 CB LYS A 57 5.666 3.808 -2.370 1.00 50.00 C ATOM 924 CG LYS A 57 7.125 4.093 -1.926 1.00 50.00 C ATOM 925 CD LYS A 57 7.492 5.590 -1.887 1.00 50.00 C ATOM 926 CE LYS A 57 7.489 6.240 -3.277 1.00 50.00 C ATOM 927 NZ LYS A 57 8.212 7.539 -3.281 1.00 75.00 N ATOM 0 H LYS A 57 3.294 2.734 -1.921 1.00 10.00 H new ATOM 0 HA LYS A 57 5.811 1.811 -3.183 1.00 10.00 H new ATOM 0 HB2 LYS A 57 5.518 4.202 -3.376 1.00 50.00 H new ATOM 0 HB3 LYS A 57 4.984 4.347 -1.713 1.00 50.00 H new ATOM 0 HG2 LYS A 57 7.282 3.666 -0.935 1.00 50.00 H new ATOM 0 HG3 LYS A 57 7.806 3.581 -2.605 1.00 50.00 H new ATOM 0 HD2 LYS A 57 6.786 6.116 -1.244 1.00 50.00 H new ATOM 0 HD3 LYS A 57 8.479 5.706 -1.439 1.00 50.00 H new ATOM 0 HE2 LYS A 57 7.953 5.564 -3.995 1.00 50.00 H new ATOM 0 HE3 LYS A 57 6.461 6.395 -3.603 1.00 50.00 H new ATOM 0 HZ1 LYS A 57 8.188 7.947 -4.237 1.00 75.00 H new ATOM 0 HZ2 LYS A 57 7.755 8.193 -2.614 1.00 75.00 H new ATOM 0 HZ3 LYS A 57 9.200 7.387 -2.994 1.00 75.00 H new ATOM 941 N ALA A 58 6.702 0.768 -1.053 1.00 10.00 N ATOM 942 CA ALA A 58 7.295 0.223 0.172 1.00 10.00 C ATOM 943 C ALA A 58 8.267 1.252 0.771 1.00 10.00 C ATOM 944 O ALA A 58 9.347 1.495 0.215 1.00 50.00 O ATOM 945 CB ALA A 58 7.998 -1.109 -0.106 1.00 50.00 C ATOM 0 H ALA A 58 7.108 0.399 -1.913 1.00 10.00 H new ATOM 0 HA ALA A 58 6.504 0.025 0.895 1.00 10.00 H new ATOM 0 HB1 ALA A 58 8.430 -1.493 0.819 1.00 50.00 H new ATOM 0 HB2 ALA A 58 7.276 -1.827 -0.495 1.00 50.00 H new ATOM 0 HB3 ALA A 58 8.789 -0.957 -0.840 1.00 50.00 H new ATOM 951 N ALA A 59 7.843 1.878 1.871 1.00 10.00 N ATOM 952 CA ALA A 59 8.639 2.864 2.605 1.00 10.00 C ATOM 953 C ALA A 59 9.474 2.140 3.675 1.00 10.00 C ATOM 954 O ALA A 59 8.913 1.478 4.546 1.00 50.00 O ATOM 955 CB ALA A 59 7.705 3.907 3.243 1.00 50.00 C ATOM 0 H ALA A 59 6.925 1.712 2.283 1.00 10.00 H new ATOM 0 HA ALA A 59 9.316 3.383 1.927 1.00 10.00 H new ATOM 0 HB1 ALA A 59 8.298 4.641 3.789 1.00 50.00 H new ATOM 0 HB2 ALA A 59 7.134 4.410 2.462 1.00 50.00 H new ATOM 0 HB3 ALA A 59 7.020 3.410 3.930 1.00 50.00 H new ATOM 961 N ASP A 60 10.810 2.239 3.573 1.00 10.00 N ATOM 962 CA ASP A 60 11.749 1.654 4.561 1.00 10.00 C ATOM 963 C ASP A 60 11.429 2.197 5.985 1.00 50.00 C ATOM 964 O ASP A 60 11.531 3.408 6.198 1.00 50.00 O ATOM 965 CB ASP A 60 13.215 2.002 4.151 1.00 50.00 C ATOM 966 CG ASP A 60 14.339 1.344 4.988 1.00 50.00 C ATOM 967 OD1 ASP A 60 14.072 0.562 5.931 1.00 50.00 O ATOM 968 OD2 ASP A 60 15.526 1.615 4.691 1.00 75.00 O ATOM 0 H ASP A 60 11.275 2.725 2.806 1.00 10.00 H new ATOM 0 HA ASP A 60 11.636 0.570 4.577 1.00 10.00 H new ATOM 0 HB2 ASP A 60 13.355 1.718 3.108 1.00 50.00 H new ATOM 0 HB3 ASP A 60 13.337 3.084 4.205 1.00 50.00 H new ATOM 973 N PRO A 61 11.003 1.305 6.956 1.00 50.00 N ATOM 974 CA PRO A 61 10.668 1.695 8.349 1.00 50.00 C ATOM 975 C PRO A 61 11.775 2.535 9.016 1.00 50.00 C ATOM 976 O PRO A 61 11.491 3.553 9.656 1.00 75.00 O ATOM 977 CB PRO A 61 10.494 0.337 9.081 1.00 75.00 C ATOM 978 CG PRO A 61 10.084 -0.618 8.007 1.00 75.00 C ATOM 979 CD PRO A 61 10.792 -0.160 6.749 1.00 50.00 C ATOM 0 HA PRO A 61 9.781 2.327 8.385 1.00 50.00 H new ATOM 0 HB2 PRO A 61 11.422 0.022 9.559 1.00 75.00 H new ATOM 0 HB3 PRO A 61 9.738 0.402 9.864 1.00 75.00 H new ATOM 0 HG2 PRO A 61 10.366 -1.639 8.264 1.00 75.00 H new ATOM 0 HG3 PRO A 61 9.003 -0.611 7.871 1.00 75.00 H new ATOM 0 HD2 PRO A 61 11.739 -0.683 6.613 1.00 50.00 H new ATOM 0 HD3 PRO A 61 10.190 -0.354 5.861 1.00 50.00 H new ATOM 987 N GLY A 62 13.041 2.097 8.809 1.00 50.00 N ATOM 988 CA GLY A 62 14.214 2.765 9.379 1.00 50.00 C ATOM 989 C GLY A 62 14.274 2.642 10.901 1.00 75.00 C ATOM 990 O GLY A 62 14.976 1.777 11.446 1.00 75.00 O ATOM 0 H GLY A 62 13.266 1.277 8.246 1.00 50.00 H new ATOM 0 HA2 GLY A 62 15.118 2.336 8.947 1.00 50.00 H new ATOM 0 HA3 GLY A 62 14.198 3.819 9.103 1.00 50.00 H new ATOM 994 N GLY A 63 13.517 3.518 11.568 1.00 75.00 N ATOM 995 CA GLY A 63 13.369 3.522 13.022 1.00 75.00 C ATOM 996 C GLY A 63 12.072 4.213 13.426 1.00 75.00 C ATOM 997 O GLY A 63 11.621 5.141 12.735 1.00 75.00 O ATOM 0 H GLY A 63 12.983 4.253 11.105 1.00 75.00 H new ATOM 0 HA2 GLY A 63 13.374 2.498 13.397 1.00 75.00 H new ATOM 0 HA3 GLY A 63 14.217 4.033 13.478 1.00 75.00 H new ATOM 1001 N GLY A 64 11.470 3.775 14.549 1.00 75.00 N ATOM 1002 CA GLY A 64 10.185 4.307 15.004 1.00 75.00 C ATOM 1003 C GLY A 64 9.015 3.464 14.496 1.00 75.00 C ATOM 1004 O GLY A 64 8.754 3.458 13.287 1.00 75.00 O ATOM 0 H GLY A 64 11.860 3.052 15.154 1.00 75.00 H new ATOM 0 HA2 GLY A 64 10.168 4.335 16.093 1.00 75.00 H new ATOM 0 HA3 GLY A 64 10.072 5.334 14.656 1.00 75.00 H new ATOM 1008 N PRO A 65 8.276 2.730 15.386 1.00 75.00 N ATOM 1009 CA PRO A 65 7.149 1.847 14.983 1.00 75.00 C ATOM 1010 C PRO A 65 5.810 2.606 14.776 1.00 75.00 C ATOM 1011 O PRO A 65 4.728 2.019 14.924 1.00 75.00 O ATOM 1012 CB PRO A 65 7.082 0.822 16.162 1.00 75.00 C ATOM 1013 CG PRO A 65 8.183 1.203 17.126 1.00 75.00 C ATOM 1014 CD PRO A 65 8.476 2.658 16.853 1.00 75.00 C ATOM 0 HA PRO A 65 7.310 1.381 14.011 1.00 75.00 H new ATOM 0 HB2 PRO A 65 6.109 0.857 16.651 1.00 75.00 H new ATOM 0 HB3 PRO A 65 7.220 -0.196 15.799 1.00 75.00 H new ATOM 0 HG2 PRO A 65 7.869 1.054 18.159 1.00 75.00 H new ATOM 0 HG3 PRO A 65 9.070 0.589 16.971 1.00 75.00 H new ATOM 0 HD2 PRO A 65 7.799 3.321 17.392 1.00 75.00 H new ATOM 0 HD3 PRO A 65 9.490 2.934 17.143 1.00 75.00 H new ATOM 1022 N SER A 66 5.901 3.883 14.343 1.00 75.00 N ATOM 1023 CA SER A 66 4.740 4.766 14.098 1.00 75.00 C ATOM 1024 C SER A 66 4.005 4.422 12.777 1.00 75.00 C ATOM 1025 O SER A 66 3.059 5.117 12.390 1.00 75.00 O ATOM 1026 CB SER A 66 5.231 6.233 14.075 1.00 75.00 C ATOM 1027 OG SER A 66 5.970 6.544 15.246 1.00 75.00 O ATOM 0 H SER A 66 6.795 4.335 14.151 1.00 75.00 H new ATOM 0 HA SER A 66 4.019 4.618 14.902 1.00 75.00 H new ATOM 0 HB2 SER A 66 5.853 6.398 13.195 1.00 75.00 H new ATOM 0 HB3 SER A 66 4.376 6.904 13.992 1.00 75.00 H new ATOM 0 HG SER A 66 6.270 7.476 15.206 1.00 75.00 H new ATOM 1033 N SER A 67 4.416 3.320 12.123 1.00 75.00 N ATOM 1034 CA SER A 67 3.809 2.815 10.883 1.00 75.00 C ATOM 1035 C SER A 67 2.441 2.132 11.117 1.00 75.00 C ATOM 1036 O SER A 67 1.795 1.714 10.149 1.00 75.00 O ATOM 1037 CB SER A 67 4.801 1.824 10.239 1.00 75.00 C ATOM 1038 OG SER A 67 6.112 2.382 10.164 1.00 75.00 O ATOM 0 H SER A 67 5.194 2.747 12.450 1.00 75.00 H new ATOM 0 HA SER A 67 3.613 3.660 10.224 1.00 75.00 H new ATOM 0 HB2 SER A 67 4.828 0.903 10.821 1.00 75.00 H new ATOM 0 HB3 SER A 67 4.458 1.560 9.239 1.00 75.00 H new ATOM 0 HG SER A 67 6.655 1.858 9.539 1.00 75.00 H new ATOM 1044 N ARG A 68 2.019 2.063 12.408 1.00 75.00 N ATOM 1045 CA ARG A 68 0.834 1.322 12.890 1.00 75.00 C ATOM 1046 C ARG A 68 1.119 -0.188 12.882 1.00 75.00 C ATOM 1047 O ARG A 68 0.854 -0.869 11.887 1.00 75.00 O ATOM 1048 CB ARG A 68 -0.472 1.653 12.103 1.00 75.00 C ATOM 1049 CG ARG A 68 -0.929 3.120 12.179 1.00 75.00 C ATOM 1050 CD ARG A 68 -2.298 3.333 11.510 1.00 75.00 C ATOM 1051 NE ARG A 68 -3.324 2.433 12.093 1.00 75.00 N ATOM 1052 CZ ARG A 68 -4.539 2.807 12.535 1.00 75.00 C ATOM 1053 NH1 ARG A 68 -4.925 4.083 12.480 1.00 75.00 N ATOM 1054 NH2 ARG A 68 -5.352 1.896 13.051 1.00 75.00 N ATOM 0 H ARG A 68 2.514 2.539 13.162 1.00 75.00 H new ATOM 0 HA ARG A 68 0.650 1.652 13.913 1.00 75.00 H new ATOM 0 HB2 ARG A 68 -0.323 1.390 11.056 1.00 75.00 H new ATOM 0 HB3 ARG A 68 -1.275 1.019 12.480 1.00 75.00 H new ATOM 0 HG2 ARG A 68 -0.984 3.429 13.223 1.00 75.00 H new ATOM 0 HG3 ARG A 68 -0.187 3.756 11.697 1.00 75.00 H new ATOM 0 HD2 ARG A 68 -2.608 4.371 11.632 1.00 75.00 H new ATOM 0 HD3 ARG A 68 -2.215 3.149 10.439 1.00 75.00 H new ATOM 0 HE ARG A 68 -3.087 1.443 12.165 1.00 75.00 H new ATOM 0 HH11 ARG A 68 -4.296 4.790 12.099 1.00 75.00 H new ATOM 0 HH12 ARG A 68 -5.849 4.351 12.819 1.00 75.00 H new ATOM 0 HH21 ARG A 68 -5.055 0.922 13.110 1.00 75.00 H new ATOM 0 HH22 ARG A 68 -6.275 2.169 13.389 1.00 75.00 H new ATOM 1068 N LEU A 69 1.696 -0.703 13.992 1.00 75.00 N ATOM 1069 CA LEU A 69 1.986 -2.138 14.137 1.00 75.00 C ATOM 1070 C LEU A 69 0.666 -2.929 14.230 1.00 75.00 C ATOM 1071 O LEU A 69 0.069 -3.043 15.311 1.00 75.00 O ATOM 1072 CB LEU A 69 2.865 -2.418 15.395 1.00 75.00 C ATOM 1073 CG LEU A 69 4.271 -1.746 15.450 1.00 75.00 C ATOM 1074 CD1 LEU A 69 4.997 -2.120 16.767 1.00 75.00 C ATOM 1075 CD2 LEU A 69 5.122 -2.107 14.208 1.00 75.00 C ATOM 0 H LEU A 69 1.968 -0.141 14.798 1.00 75.00 H new ATOM 0 HA LEU A 69 2.546 -2.461 13.259 1.00 75.00 H new ATOM 0 HB2 LEU A 69 2.305 -2.101 16.275 1.00 75.00 H new ATOM 0 HB3 LEU A 69 3.003 -3.496 15.477 1.00 75.00 H new ATOM 0 HG LEU A 69 4.132 -0.665 15.435 1.00 75.00 H new ATOM 0 HD11 LEU A 69 5.977 -1.643 16.790 1.00 75.00 H new ATOM 0 HD12 LEU A 69 4.407 -1.778 17.617 1.00 75.00 H new ATOM 0 HD13 LEU A 69 5.118 -3.202 16.821 1.00 75.00 H new ATOM 0 HD21 LEU A 69 6.095 -1.621 14.280 1.00 75.00 H new ATOM 0 HD22 LEU A 69 5.258 -3.187 14.162 1.00 75.00 H new ATOM 0 HD23 LEU A 69 4.613 -1.767 13.306 1.00 75.00 H new ATOM 1087 N THR A 70 0.185 -3.411 13.078 1.00 75.00 N ATOM 1088 CA THR A 70 -0.986 -4.288 13.029 1.00 75.00 C ATOM 1089 C THR A 70 -0.560 -5.708 13.441 1.00 75.00 C ATOM 1090 O THR A 70 0.598 -6.100 13.214 1.00 75.00 O ATOM 1091 CB THR A 70 -1.626 -4.294 11.606 1.00 75.00 C ATOM 1092 OG1 THR A 70 -1.684 -2.949 11.104 1.00 75.00 O ATOM 1093 CG2 THR A 70 -3.048 -4.889 11.620 1.00 75.00 C ATOM 0 H THR A 70 0.592 -3.206 12.165 1.00 75.00 H new ATOM 0 HA THR A 70 -1.742 -3.917 13.721 1.00 75.00 H new ATOM 0 HB THR A 70 -1.004 -4.917 10.963 1.00 75.00 H new ATOM 0 HG1 THR A 70 -0.995 -2.826 10.418 1.00 75.00 H new ATOM 0 HG21 THR A 70 -3.458 -4.875 10.610 1.00 75.00 H new ATOM 0 HG22 THR A 70 -3.009 -5.917 11.982 1.00 75.00 H new ATOM 0 HG23 THR A 70 -3.684 -4.297 12.278 1.00 75.00 H new ATOM 1101 N TRP A 71 -1.484 -6.455 14.056 1.00 75.00 N ATOM 1102 CA TRP A 71 -1.186 -7.770 14.650 1.00 75.00 C ATOM 1103 C TRP A 71 -0.745 -8.777 13.572 1.00 75.00 C ATOM 1104 O TRP A 71 -1.234 -8.733 12.438 1.00 75.00 O ATOM 1105 CB TRP A 71 -2.408 -8.295 15.434 1.00 75.00 C ATOM 1106 CG TRP A 71 -2.997 -7.279 16.398 1.00 75.00 C ATOM 1107 CD1 TRP A 71 -4.274 -6.797 16.399 1.00 75.00 C ATOM 1108 CD2 TRP A 71 -2.323 -6.600 17.478 1.00 75.00 C ATOM 1109 NE1 TRP A 71 -4.441 -5.885 17.403 1.00 75.00 N ATOM 1110 CE2 TRP A 71 -3.263 -5.743 18.078 1.00 75.00 C ATOM 1111 CE3 TRP A 71 -1.022 -6.634 17.999 1.00 75.00 C ATOM 1112 CZ2 TRP A 71 -2.951 -4.932 19.164 1.00 75.00 C ATOM 1113 CZ3 TRP A 71 -0.713 -5.831 19.078 1.00 75.00 C ATOM 1114 CH2 TRP A 71 -1.673 -4.988 19.648 1.00 75.00 C ATOM 0 H TRP A 71 -2.458 -6.169 14.158 1.00 75.00 H new ATOM 0 HA TRP A 71 -0.357 -7.651 15.348 1.00 75.00 H new ATOM 0 HB2 TRP A 71 -3.179 -8.601 14.726 1.00 75.00 H new ATOM 0 HB3 TRP A 71 -2.116 -9.185 15.991 1.00 75.00 H new ATOM 0 HD1 TRP A 71 -5.045 -7.095 15.704 1.00 75.00 H new ATOM 0 HE1 TRP A 71 -5.307 -5.390 17.614 1.00 75.00 H new ATOM 0 HE3 TRP A 71 -0.273 -7.279 17.563 1.00 75.00 H new ATOM 0 HZ2 TRP A 71 -3.690 -4.282 19.609 1.00 75.00 H new ATOM 0 HZ3 TRP A 71 0.286 -5.854 19.489 1.00 75.00 H new ATOM 0 HH2 TRP A 71 -1.399 -4.368 20.489 1.00 75.00 H new ATOM 1125 N ARG A 72 0.194 -9.664 13.948 1.00 75.00 N ATOM 1126 CA ARG A 72 0.791 -10.643 13.032 1.00 75.00 C ATOM 1127 C ARG A 72 -0.248 -11.679 12.587 1.00 75.00 C ATOM 1128 O ARG A 72 -0.472 -12.687 13.266 1.00 75.00 O ATOM 1129 CB ARG A 72 2.040 -11.311 13.680 1.00 75.00 C ATOM 1130 CG ARG A 72 3.202 -10.331 13.955 1.00 75.00 C ATOM 1131 CD ARG A 72 4.470 -11.025 14.479 1.00 75.00 C ATOM 1132 NE ARG A 72 5.619 -10.100 14.551 1.00 75.00 N ATOM 1133 CZ ARG A 72 6.871 -10.385 14.148 1.00 75.00 C ATOM 1134 NH1 ARG A 72 7.165 -11.577 13.622 1.00 75.00 N ATOM 1135 NH2 ARG A 72 7.817 -9.469 14.279 1.00 75.00 N ATOM 0 H ARG A 72 0.559 -9.719 14.899 1.00 75.00 H new ATOM 0 HA ARG A 72 1.128 -10.121 12.137 1.00 75.00 H new ATOM 0 HB2 ARG A 72 1.743 -11.780 14.618 1.00 75.00 H new ATOM 0 HB3 ARG A 72 2.396 -12.106 13.025 1.00 75.00 H new ATOM 0 HG2 ARG A 72 3.442 -9.796 13.036 1.00 75.00 H new ATOM 0 HG3 ARG A 72 2.876 -9.587 14.682 1.00 75.00 H new ATOM 0 HD2 ARG A 72 4.274 -11.438 15.469 1.00 75.00 H new ATOM 0 HD3 ARG A 72 4.720 -11.863 13.828 1.00 75.00 H new ATOM 0 HE ARG A 72 5.450 -9.171 14.937 1.00 75.00 H new ATOM 0 HH11 ARG A 72 6.437 -12.284 13.522 1.00 75.00 H new ATOM 0 HH12 ARG A 72 8.118 -11.780 13.320 1.00 75.00 H new ATOM 0 HH21 ARG A 72 7.593 -8.559 14.682 1.00 75.00 H new ATOM 0 HH22 ARG A 72 8.770 -9.673 13.977 1.00 75.00 H new ATOM 1149 N VAL A 73 -0.900 -11.377 11.450 1.00 75.00 N ATOM 1150 CA VAL A 73 -1.935 -12.226 10.844 1.00 75.00 C ATOM 1151 C VAL A 73 -1.352 -13.589 10.434 1.00 75.00 C ATOM 1152 O VAL A 73 -2.003 -14.628 10.580 1.00 75.00 O ATOM 1153 CB VAL A 73 -2.598 -11.509 9.603 1.00 75.00 C ATOM 1154 CG1 VAL A 73 -3.711 -12.375 8.960 1.00 75.00 C ATOM 1155 CG2 VAL A 73 -3.140 -10.114 9.998 1.00 50.00 C ATOM 0 H VAL A 73 -0.718 -10.524 10.921 1.00 75.00 H new ATOM 0 HA VAL A 73 -2.710 -12.396 11.591 1.00 75.00 H new ATOM 0 HB VAL A 73 -1.820 -11.375 8.852 1.00 75.00 H new ATOM 0 HG11 VAL A 73 -4.140 -11.844 8.110 1.00 75.00 H new ATOM 0 HG12 VAL A 73 -3.286 -13.320 8.621 1.00 75.00 H new ATOM 0 HG13 VAL A 73 -4.490 -12.571 9.696 1.00 75.00 H new ATOM 0 HG21 VAL A 73 -3.592 -9.639 9.127 1.00 50.00 H new ATOM 0 HG22 VAL A 73 -3.890 -10.223 10.782 1.00 50.00 H new ATOM 0 HG23 VAL A 73 -2.320 -9.495 10.364 1.00 50.00 H new ATOM 1165 N GLN A 74 -0.097 -13.571 9.949 1.00 75.00 N ATOM 1166 CA GLN A 74 0.606 -14.788 9.523 1.00 75.00 C ATOM 1167 C GLN A 74 1.142 -15.564 10.732 1.00 75.00 C ATOM 1168 O GLN A 74 2.309 -15.435 11.117 1.00 75.00 O ATOM 1169 CB GLN A 74 1.720 -14.464 8.498 1.00 75.00 C ATOM 1170 CG GLN A 74 1.205 -13.771 7.220 1.00 75.00 C ATOM 1171 CD GLN A 74 2.297 -13.485 6.189 1.00 75.00 C ATOM 1172 OE1 GLN A 74 3.252 -14.248 6.042 1.00 75.00 O ATOM 1173 NE2 GLN A 74 2.184 -12.368 5.489 1.00 75.00 N ATOM 0 H GLN A 74 0.452 -12.718 9.843 1.00 75.00 H new ATOM 0 HA GLN A 74 -0.111 -15.434 9.017 1.00 75.00 H new ATOM 0 HB2 GLN A 74 2.463 -13.824 8.973 1.00 75.00 H new ATOM 0 HB3 GLN A 74 2.226 -15.389 8.220 1.00 75.00 H new ATOM 0 HG2 GLN A 74 0.441 -14.398 6.761 1.00 75.00 H new ATOM 0 HG3 GLN A 74 0.724 -12.832 7.496 1.00 75.00 H new ATOM 0 HE21 GLN A 74 1.381 -11.755 5.632 1.00 75.00 H new ATOM 0 HE22 GLN A 74 2.900 -12.120 4.806 1.00 75.00 H new ATOM 1182 N ARG A 75 0.232 -16.319 11.363 1.00 75.00 N ATOM 1183 CA ARG A 75 0.563 -17.353 12.350 1.00 75.00 C ATOM 1184 C ARG A 75 0.202 -18.730 11.756 1.00 75.00 C ATOM 1185 O ARG A 75 -0.726 -18.843 10.946 1.00 75.00 O ATOM 1186 CB ARG A 75 -0.196 -17.123 13.687 1.00 75.00 C ATOM 1187 CG ARG A 75 0.093 -15.784 14.394 1.00 75.00 C ATOM 1188 CD ARG A 75 1.576 -15.593 14.766 1.00 75.00 C ATOM 1189 NE ARG A 75 1.787 -14.354 15.539 1.00 75.00 N ATOM 1190 CZ ARG A 75 2.851 -14.095 16.315 1.00 75.00 C ATOM 1191 NH1 ARG A 75 3.846 -14.974 16.448 1.00 75.00 N ATOM 1192 NH2 ARG A 75 2.898 -12.955 16.986 1.00 75.00 N ATOM 0 H ARG A 75 -0.770 -16.226 11.198 1.00 75.00 H new ATOM 0 HA ARG A 75 1.629 -17.308 12.572 1.00 75.00 H new ATOM 0 HB2 ARG A 75 -1.267 -17.187 13.492 1.00 75.00 H new ATOM 0 HB3 ARG A 75 0.053 -17.935 14.370 1.00 75.00 H new ATOM 0 HG2 ARG A 75 -0.219 -14.965 13.746 1.00 75.00 H new ATOM 0 HG3 ARG A 75 -0.511 -15.722 15.299 1.00 75.00 H new ATOM 0 HD2 ARG A 75 1.919 -16.448 15.348 1.00 75.00 H new ATOM 0 HD3 ARG A 75 2.179 -15.563 13.858 1.00 75.00 H new ATOM 0 HE ARG A 75 1.065 -13.636 15.479 1.00 75.00 H new ATOM 0 HH11 ARG A 75 3.808 -15.866 15.954 1.00 75.00 H new ATOM 0 HH12 ARG A 75 4.644 -14.754 17.044 1.00 75.00 H new ATOM 0 HH21 ARG A 75 2.132 -12.286 16.910 1.00 75.00 H new ATOM 0 HH22 ARG A 75 3.701 -12.745 17.579 1.00 75.00 H new ATOM 1206 N SER A 76 0.971 -19.740 12.155 1.00 75.00 N ATOM 1207 CA SER A 76 0.774 -21.143 11.788 1.00 75.00 C ATOM 1208 C SER A 76 1.797 -21.949 12.596 1.00 75.00 C ATOM 1209 O SER A 76 1.440 -22.707 13.497 1.00 75.00 O ATOM 1210 CB SER A 76 0.958 -21.379 10.261 1.00 75.00 C ATOM 1211 OG SER A 76 0.812 -22.750 9.913 1.00 75.00 O ATOM 0 H SER A 76 1.777 -19.601 12.764 1.00 75.00 H new ATOM 0 HA SER A 76 -0.246 -21.455 12.013 1.00 75.00 H new ATOM 0 HB2 SER A 76 0.227 -20.786 9.712 1.00 75.00 H new ATOM 0 HB3 SER A 76 1.945 -21.031 9.957 1.00 75.00 H new ATOM 0 HG SER A 76 -0.135 -23.000 9.958 1.00 75.00 H new ATOM 1217 N GLN A 77 3.085 -21.719 12.276 1.00 75.00 N ATOM 1218 CA GLN A 77 4.238 -22.280 13.002 1.00 75.00 C ATOM 1219 C GLN A 77 5.383 -21.252 12.941 1.00 75.00 C ATOM 1220 O GLN A 77 5.855 -20.770 13.977 1.00 75.00 O ATOM 1221 CB GLN A 77 4.687 -23.648 12.404 1.00 75.00 C ATOM 1222 CG GLN A 77 3.701 -24.810 12.629 1.00 75.00 C ATOM 1223 CD GLN A 77 4.182 -26.134 12.041 1.00 75.00 C ATOM 1224 OE1 GLN A 77 4.868 -26.911 12.701 1.00 75.00 O ATOM 1225 NE2 GLN A 77 3.841 -26.388 10.787 1.00 75.00 N ATOM 0 H GLN A 77 3.357 -21.127 11.491 1.00 75.00 H new ATOM 0 HA GLN A 77 3.957 -22.473 14.037 1.00 75.00 H new ATOM 0 HB2 GLN A 77 4.843 -23.526 11.332 1.00 75.00 H new ATOM 0 HB3 GLN A 77 5.650 -23.919 12.837 1.00 75.00 H new ATOM 0 HG2 GLN A 77 3.536 -24.935 13.699 1.00 75.00 H new ATOM 0 HG3 GLN A 77 2.739 -24.552 12.186 1.00 75.00 H new ATOM 0 HE21 GLN A 77 3.270 -25.720 10.268 1.00 75.00 H new ATOM 0 HE22 GLN A 77 4.149 -27.251 10.340 1.00 75.00 H new ATOM 1234 N ASN A 78 5.789 -20.904 11.702 1.00 75.00 N ATOM 1235 CA ASN A 78 6.816 -19.871 11.430 1.00 75.00 C ATOM 1236 C ASN A 78 6.649 -19.311 9.982 1.00 75.00 C ATOM 1237 O ASN A 78 7.546 -19.458 9.143 1.00 75.00 O ATOM 1238 CB ASN A 78 8.256 -20.438 11.677 1.00 75.00 C ATOM 1239 CG ASN A 78 8.604 -21.694 10.844 1.00 75.00 C ATOM 1240 OD1 ASN A 78 7.743 -22.532 10.544 1.00 75.00 O ATOM 1241 ND2 ASN A 78 9.860 -21.817 10.438 1.00 75.00 N ATOM 0 H ASN A 78 5.413 -21.333 10.856 1.00 75.00 H new ATOM 0 HA ASN A 78 6.675 -19.042 12.124 1.00 75.00 H new ATOM 0 HB2 ASN A 78 8.983 -19.657 11.454 1.00 75.00 H new ATOM 0 HB3 ASN A 78 8.361 -20.679 12.735 1.00 75.00 H new ATOM 0 HD21 ASN A 78 10.135 -22.615 9.866 1.00 75.00 H new ATOM 0 HD22 ASN A 78 10.551 -21.113 10.698 1.00 75.00 H new ATOM 1248 N PRO A 79 5.473 -18.662 9.660 1.00 75.00 N ATOM 1249 CA PRO A 79 5.160 -18.193 8.279 1.00 75.00 C ATOM 1250 C PRO A 79 5.969 -16.948 7.863 1.00 75.00 C ATOM 1251 O PRO A 79 6.278 -16.754 6.677 1.00 75.00 O ATOM 1252 CB PRO A 79 3.630 -17.888 8.333 1.00 75.00 C ATOM 1253 CG PRO A 79 3.166 -18.443 9.646 1.00 75.00 C ATOM 1254 CD PRO A 79 4.348 -18.337 10.576 1.00 75.00 C ATOM 0 HA PRO A 79 5.426 -18.939 7.530 1.00 75.00 H new ATOM 0 HB2 PRO A 79 3.439 -16.817 8.269 1.00 75.00 H new ATOM 0 HB3 PRO A 79 3.105 -18.356 7.500 1.00 75.00 H new ATOM 0 HG2 PRO A 79 2.315 -17.881 10.030 1.00 75.00 H new ATOM 0 HG3 PRO A 79 2.843 -19.479 9.541 1.00 75.00 H new ATOM 0 HD2 PRO A 79 4.444 -17.340 11.006 1.00 75.00 H new ATOM 0 HD3 PRO A 79 4.280 -19.038 11.408 1.00 75.00 H new ATOM 1262 N LEU A 80 6.293 -16.120 8.861 1.00 75.00 N ATOM 1263 CA LEU A 80 7.061 -14.890 8.681 1.00 75.00 C ATOM 1264 C LEU A 80 8.561 -15.208 8.654 1.00 75.00 C ATOM 1265 O LEU A 80 9.075 -15.895 9.546 1.00 75.00 O ATOM 1266 CB LEU A 80 6.720 -13.892 9.820 1.00 75.00 C ATOM 1267 CG LEU A 80 5.243 -13.397 9.856 1.00 75.00 C ATOM 1268 CD1 LEU A 80 4.969 -12.540 11.098 1.00 75.00 C ATOM 1269 CD2 LEU A 80 4.876 -12.635 8.571 1.00 75.00 C ATOM 0 H LEU A 80 6.024 -16.290 9.830 1.00 75.00 H new ATOM 0 HA LEU A 80 6.797 -14.429 7.729 1.00 75.00 H new ATOM 0 HB2 LEU A 80 6.950 -14.365 10.775 1.00 75.00 H new ATOM 0 HB3 LEU A 80 7.374 -13.025 9.728 1.00 75.00 H new ATOM 0 HG LEU A 80 4.607 -14.280 9.914 1.00 75.00 H new ATOM 0 HD11 LEU A 80 3.930 -12.211 11.091 1.00 75.00 H new ATOM 0 HD12 LEU A 80 5.158 -13.129 11.995 1.00 75.00 H new ATOM 0 HD13 LEU A 80 5.625 -11.669 11.091 1.00 75.00 H new ATOM 0 HD21 LEU A 80 3.839 -12.303 8.628 1.00 75.00 H new ATOM 0 HD22 LEU A 80 5.529 -11.769 8.463 1.00 75.00 H new ATOM 0 HD23 LEU A 80 5.000 -13.292 7.710 1.00 75.00 H new ATOM 1281 N LYS A 81 9.235 -14.720 7.609 1.00 75.00 N ATOM 1282 CA LYS A 81 10.681 -14.902 7.418 1.00 75.00 C ATOM 1283 C LYS A 81 11.449 -13.771 8.118 1.00 75.00 C ATOM 1284 O LYS A 81 10.936 -12.647 8.245 1.00 75.00 O ATOM 1285 CB LYS A 81 11.007 -14.923 5.905 1.00 75.00 C ATOM 1286 CG LYS A 81 10.223 -15.984 5.096 1.00 75.00 C ATOM 1287 CD LYS A 81 10.583 -16.027 3.587 1.00 75.00 C ATOM 1288 CE LYS A 81 10.185 -14.760 2.795 1.00 75.00 C ATOM 1289 NZ LYS A 81 11.063 -13.579 3.079 1.00 75.00 N ATOM 0 H LYS A 81 8.791 -14.183 6.864 1.00 75.00 H new ATOM 0 HA LYS A 81 10.987 -15.851 7.857 1.00 75.00 H new ATOM 0 HB2 LYS A 81 10.798 -13.938 5.487 1.00 75.00 H new ATOM 0 HB3 LYS A 81 12.075 -15.103 5.778 1.00 75.00 H new ATOM 0 HG2 LYS A 81 10.409 -16.966 5.531 1.00 75.00 H new ATOM 0 HG3 LYS A 81 9.156 -15.787 5.198 1.00 75.00 H new ATOM 0 HD2 LYS A 81 11.658 -16.179 3.487 1.00 75.00 H new ATOM 0 HD3 LYS A 81 10.095 -16.891 3.135 1.00 75.00 H new ATOM 0 HE2 LYS A 81 10.221 -14.981 1.728 1.00 75.00 H new ATOM 0 HE3 LYS A 81 9.153 -14.501 3.033 1.00 75.00 H new ATOM 0 HZ1 LYS A 81 10.554 -12.906 3.687 1.00 75.00 H new ATOM 0 HZ2 LYS A 81 11.927 -13.897 3.562 1.00 75.00 H new ATOM 0 HZ3 LYS A 81 11.318 -13.113 2.185 1.00 75.00 H new ATOM 1303 N ILE A 82 12.677 -14.070 8.560 1.00 75.00 N ATOM 1304 CA ILE A 82 13.539 -13.097 9.258 1.00 75.00 C ATOM 1305 C ILE A 82 14.427 -12.335 8.259 1.00 75.00 C ATOM 1306 O ILE A 82 14.558 -12.730 7.093 1.00 75.00 O ATOM 1307 CB ILE A 82 14.432 -13.796 10.352 1.00 75.00 C ATOM 1308 CG1 ILE A 82 15.380 -14.869 9.719 1.00 75.00 C ATOM 1309 CG2 ILE A 82 13.545 -14.415 11.456 1.00 75.00 C ATOM 1310 CD1 ILE A 82 16.279 -15.595 10.709 1.00 75.00 C ATOM 0 H ILE A 82 13.104 -14.989 8.446 1.00 75.00 H new ATOM 0 HA ILE A 82 12.883 -12.385 9.759 1.00 75.00 H new ATOM 0 HB ILE A 82 15.066 -13.035 10.807 1.00 75.00 H new ATOM 0 HG12 ILE A 82 14.772 -15.606 9.195 1.00 75.00 H new ATOM 0 HG13 ILE A 82 16.006 -14.383 8.971 1.00 75.00 H new ATOM 0 HG21 ILE A 82 14.177 -14.894 12.204 1.00 75.00 H new ATOM 0 HG22 ILE A 82 12.953 -13.632 11.929 1.00 75.00 H new ATOM 0 HG23 ILE A 82 12.879 -15.157 11.015 1.00 75.00 H new ATOM 0 HD11 ILE A 82 16.898 -16.317 10.177 1.00 75.00 H new ATOM 0 HD12 ILE A 82 16.919 -14.873 11.216 1.00 75.00 H new ATOM 0 HD13 ILE A 82 15.665 -16.115 11.444 1.00 75.00 H new ATOM 1322 N ARG A 83 15.029 -11.238 8.734 1.00 75.00 N ATOM 1323 CA ARG A 83 15.973 -10.428 7.950 1.00 75.00 C ATOM 1324 C ARG A 83 17.139 -10.007 8.853 1.00 75.00 C ATOM 1325 O ARG A 83 17.019 -9.074 9.662 1.00 75.00 O ATOM 1326 CB ARG A 83 15.268 -9.189 7.326 1.00 75.00 C ATOM 1327 CG ARG A 83 16.199 -8.306 6.456 1.00 75.00 C ATOM 1328 CD ARG A 83 15.490 -7.099 5.813 1.00 75.00 C ATOM 1329 NE ARG A 83 16.449 -6.231 5.100 1.00 75.00 N ATOM 1330 CZ ARG A 83 16.316 -4.909 4.923 1.00 75.00 C ATOM 1331 NH1 ARG A 83 15.252 -4.263 5.394 1.00 75.00 N ATOM 1332 NH2 ARG A 83 17.259 -4.230 4.294 1.00 75.00 N ATOM 0 H ARG A 83 14.875 -10.884 9.678 1.00 75.00 H new ATOM 0 HA ARG A 83 16.357 -11.025 7.123 1.00 75.00 H new ATOM 0 HB2 ARG A 83 14.432 -9.529 6.715 1.00 75.00 H new ATOM 0 HB3 ARG A 83 14.851 -8.579 8.127 1.00 75.00 H new ATOM 0 HG2 ARG A 83 17.022 -7.945 7.073 1.00 75.00 H new ATOM 0 HG3 ARG A 83 16.636 -8.921 5.669 1.00 75.00 H new ATOM 0 HD2 ARG A 83 14.728 -7.450 5.118 1.00 75.00 H new ATOM 0 HD3 ARG A 83 14.978 -6.523 6.583 1.00 75.00 H new ATOM 0 HE ARG A 83 17.281 -6.674 4.710 1.00 75.00 H new ATOM 0 HH11 ARG A 83 14.526 -4.774 5.896 1.00 75.00 H new ATOM 0 HH12 ARG A 83 15.162 -3.257 5.253 1.00 75.00 H new ATOM 0 HH21 ARG A 83 18.087 -4.712 3.944 1.00 75.00 H new ATOM 0 HH22 ARG A 83 17.159 -3.224 4.159 1.00 75.00 H new ATOM 1346 N LEU A 84 18.255 -10.735 8.722 1.00 75.00 N ATOM 1347 CA LEU A 84 19.479 -10.507 9.508 1.00 75.00 C ATOM 1348 C LEU A 84 20.467 -9.688 8.663 1.00 75.00 C ATOM 1349 O LEU A 84 20.679 -10.015 7.487 1.00 75.00 O ATOM 1350 CB LEU A 84 20.098 -11.873 9.916 1.00 75.00 C ATOM 1351 CG LEU A 84 19.128 -12.897 10.594 1.00 75.00 C ATOM 1352 CD1 LEU A 84 19.845 -14.230 10.910 1.00 75.00 C ATOM 1353 CD2 LEU A 84 18.460 -12.302 11.854 1.00 75.00 C ATOM 0 H LEU A 84 18.337 -11.508 8.061 1.00 75.00 H new ATOM 0 HA LEU A 84 19.247 -9.953 10.417 1.00 75.00 H new ATOM 0 HB2 LEU A 84 20.519 -12.338 9.025 1.00 75.00 H new ATOM 0 HB3 LEU A 84 20.927 -11.683 10.598 1.00 75.00 H new ATOM 0 HG LEU A 84 18.334 -13.113 9.879 1.00 75.00 H new ATOM 0 HD11 LEU A 84 19.143 -14.918 11.380 1.00 75.00 H new ATOM 0 HD12 LEU A 84 20.220 -14.669 9.986 1.00 75.00 H new ATOM 0 HD13 LEU A 84 20.678 -14.043 11.587 1.00 75.00 H new ATOM 0 HD21 LEU A 84 17.794 -13.043 12.297 1.00 75.00 H new ATOM 0 HD22 LEU A 84 19.228 -12.026 12.577 1.00 75.00 H new ATOM 0 HD23 LEU A 84 17.887 -11.417 11.578 1.00 75.00 H new ATOM 1365 N THR A 85 21.044 -8.635 9.274 1.00 75.00 N ATOM 1366 CA THR A 85 21.989 -7.714 8.618 1.00 75.00 C ATOM 1367 C THR A 85 21.279 -6.851 7.536 1.00 75.00 C ATOM 1368 O THR A 85 20.979 -7.321 6.433 1.00 75.00 O ATOM 1369 CB THR A 85 23.247 -8.460 8.027 1.00 75.00 C ATOM 1370 OG1 THR A 85 23.913 -9.201 9.076 1.00 75.00 O ATOM 1371 CG2 THR A 85 24.253 -7.494 7.371 1.00 75.00 C ATOM 0 H THR A 85 20.864 -8.398 10.250 1.00 75.00 H new ATOM 0 HA THR A 85 22.361 -7.042 9.392 1.00 75.00 H new ATOM 0 HB THR A 85 22.884 -9.135 7.252 1.00 75.00 H new ATOM 0 HG1 THR A 85 24.693 -9.664 8.705 1.00 75.00 H new ATOM 0 HG21 THR A 85 25.099 -8.060 6.981 1.00 75.00 H new ATOM 0 HG22 THR A 85 23.766 -6.961 6.555 1.00 75.00 H new ATOM 0 HG23 THR A 85 24.606 -6.778 8.113 1.00 75.00 H new ATOM 1379 N ARG A 86 20.961 -5.602 7.907 1.00 75.00 N ATOM 1380 CA ARG A 86 20.498 -4.562 6.965 1.00 75.00 C ATOM 1381 C ARG A 86 21.723 -3.955 6.241 1.00 75.00 C ATOM 1382 O ARG A 86 22.867 -4.148 6.677 1.00 75.00 O ATOM 1383 CB ARG A 86 19.728 -3.468 7.760 1.00 75.00 C ATOM 1384 CG ARG A 86 19.129 -2.323 6.910 1.00 75.00 C ATOM 1385 CD ARG A 86 18.612 -1.144 7.753 1.00 75.00 C ATOM 1386 NE ARG A 86 18.156 -0.025 6.902 1.00 75.00 N ATOM 1387 CZ ARG A 86 18.218 1.282 7.218 1.00 75.00 C ATOM 1388 NH1 ARG A 86 18.723 1.684 8.379 1.00 75.00 N ATOM 1389 NH2 ARG A 86 17.766 2.177 6.359 1.00 75.00 N ATOM 0 H ARG A 86 21.017 -5.279 8.873 1.00 75.00 H new ATOM 0 HA ARG A 86 19.829 -4.991 6.219 1.00 75.00 H new ATOM 0 HB2 ARG A 86 18.920 -3.947 8.313 1.00 75.00 H new ATOM 0 HB3 ARG A 86 20.405 -3.034 8.496 1.00 75.00 H new ATOM 0 HG2 ARG A 86 19.888 -1.960 6.217 1.00 75.00 H new ATOM 0 HG3 ARG A 86 18.310 -2.717 6.308 1.00 75.00 H new ATOM 0 HD2 ARG A 86 17.789 -1.480 8.384 1.00 75.00 H new ATOM 0 HD3 ARG A 86 19.403 -0.797 8.418 1.00 75.00 H new ATOM 0 HE ARG A 86 17.759 -0.265 5.994 1.00 75.00 H new ATOM 0 HH11 ARG A 86 19.072 0.998 9.048 1.00 75.00 H new ATOM 0 HH12 ARG A 86 18.762 2.679 8.601 1.00 75.00 H new ATOM 0 HH21 ARG A 86 17.375 1.875 5.467 1.00 75.00 H new ATOM 0 HH22 ARG A 86 17.808 3.170 6.588 1.00 75.00 H new ATOM 1403 N GLU A 87 21.466 -3.222 5.141 1.00 75.00 N ATOM 1404 CA GLU A 87 22.493 -2.473 4.400 1.00 75.00 C ATOM 1405 C GLU A 87 23.099 -1.370 5.300 1.00 75.00 C ATOM 1406 O GLU A 87 22.589 -0.252 5.354 1.00 75.00 O ATOM 1407 CB GLU A 87 21.904 -1.835 3.101 1.00 75.00 C ATOM 1408 CG GLU A 87 21.278 -2.823 2.081 1.00 75.00 C ATOM 1409 CD GLU A 87 19.913 -3.391 2.518 1.00 75.00 C ATOM 1410 OE1 GLU A 87 18.898 -2.673 2.404 1.00 75.00 O ATOM 1411 OE2 GLU A 87 19.842 -4.536 2.992 1.00 75.00 O ATOM 0 H GLU A 87 20.532 -3.134 4.740 1.00 75.00 H new ATOM 0 HA GLU A 87 23.275 -3.174 4.109 1.00 75.00 H new ATOM 0 HB2 GLU A 87 21.142 -1.110 3.389 1.00 75.00 H new ATOM 0 HB3 GLU A 87 22.698 -1.281 2.600 1.00 75.00 H new ATOM 0 HG2 GLU A 87 21.159 -2.315 1.124 1.00 75.00 H new ATOM 0 HG3 GLU A 87 21.970 -3.650 1.920 1.00 75.00 H new ATOM 1418 N ALA A 88 24.146 -1.730 6.060 1.00 75.00 N ATOM 1419 CA ALA A 88 24.855 -0.798 6.954 1.00 75.00 C ATOM 1420 C ALA A 88 26.184 -0.368 6.301 1.00 75.00 C ATOM 1421 O ALA A 88 26.955 -1.242 5.890 1.00 75.00 O ATOM 1422 CB ALA A 88 25.102 -1.463 8.315 1.00 75.00 C ATOM 0 H ALA A 88 24.526 -2.677 6.072 1.00 75.00 H new ATOM 0 HA ALA A 88 24.244 0.090 7.116 1.00 75.00 H new ATOM 0 HB1 ALA A 88 25.627 -0.767 8.970 1.00 75.00 H new ATOM 0 HB2 ALA A 88 24.148 -1.736 8.765 1.00 75.00 H new ATOM 0 HB3 ALA A 88 25.708 -2.359 8.178 1.00 75.00 H new ATOM 1428 N PRO A 89 26.460 0.972 6.155 1.00 75.00 N ATOM 1429 CA PRO A 89 27.735 1.477 5.581 1.00 75.00 C ATOM 1430 C PRO A 89 28.976 1.052 6.422 1.00 75.00 C ATOM 1431 O PRO A 89 29.699 0.128 5.994 1.00 75.00 O ATOM 1432 CB PRO A 89 27.535 3.019 5.552 1.00 75.00 C ATOM 1433 CG PRO A 89 26.438 3.298 6.534 1.00 75.00 C ATOM 1434 CD PRO A 89 25.537 2.088 6.503 1.00 75.00 C ATOM 1435 OXT PRO A 89 29.197 1.608 7.523 1.00 75.00 O ATOM 0 HA PRO A 89 27.942 1.064 4.594 1.00 75.00 H new ATOM 0 HB2 PRO A 89 28.452 3.539 5.829 1.00 75.00 H new ATOM 0 HB3 PRO A 89 27.264 3.361 4.553 1.00 75.00 H new ATOM 0 HG2 PRO A 89 26.841 3.459 7.534 1.00 75.00 H new ATOM 0 HG3 PRO A 89 25.890 4.200 6.262 1.00 75.00 H new ATOM 0 HD2 PRO A 89 25.054 1.923 7.466 1.00 75.00 H new ATOM 0 HD3 PRO A 89 24.744 2.198 5.763 1.00 75.00 H new TER 1443 PRO A 89