USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 553 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 25 MET CE :methyl -160:sc= -1.23 (180deg=-1.6) USER MOD Set 1.2: A 40 CYS SG : rot 180:sc= -0.778 USER MOD Single : A 1 ASP N :NH3+ -163:sc= -0.023 (180deg=-0.526) USER MOD Single : A 3 MET CE :methyl 147:sc= -1.08 (180deg=-2.45!) USER MOD Single : A 6 TYR OH : rot 60:sc= -0.0323 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.9 K(o=-1.9,f=-3.7!) USER MOD Single : A 11 THR OG1 : rot 140:sc= 0.0827 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.502 USER MOD Single : A 22 SER OG : rot 180:sc=-0.00225 USER MOD Single : A 24 GLN : amide:sc= 0.0787 K(o=0.079,f=-1.1) USER MOD Single : A 26 GLN : amide:sc= -3.24 K(o=-3.2,f=-4.8!) USER MOD Single : A 27 THR OG1 : rot 67:sc= 0.296 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0243 X(o=-0.024,f=-0.23) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.062) USER MOD Single : A 53 SER OG : rot 180:sc= -0.103 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= -0.0313 (180deg=-0.0313) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.027 USER MOD Single : B 63 SER OG : rot -2:sc= 0.77 USER MOD Single : B 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 71 HIS : no HD1:sc= -5.95! K(o=-5.9!,f=-2.8) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -3.410 12.853 -2.200 1.00 0.00 N ATOM 2 CA ASP A 1 -3.582 13.137 -0.750 1.00 0.00 C ATOM 3 C ASP A 1 -4.189 11.942 -0.024 1.00 0.00 C ATOM 4 O ASP A 1 -3.885 11.691 1.142 1.00 0.00 O ATOM 5 CB ASP A 1 -4.484 14.363 -0.596 1.00 0.00 C ATOM 6 CG ASP A 1 -4.016 15.536 -1.434 1.00 0.00 C ATOM 7 OD1 ASP A 1 -3.111 16.267 -0.978 1.00 0.00 O ATOM 8 OD2 ASP A 1 -4.554 15.725 -2.545 1.00 0.00 O ATOM 0 H1 ASP A 1 -2.749 13.542 -2.613 1.00 0.00 H new ATOM 0 H2 ASP A 1 -3.031 11.892 -2.323 1.00 0.00 H new ATOM 0 H3 ASP A 1 -4.330 12.926 -2.680 1.00 0.00 H new ATOM 0 HA ASP A 1 -2.606 13.331 -0.305 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -5.502 14.099 -0.882 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -4.514 14.659 0.453 1.00 0.00 H new ATOM 15 N VAL A 2 -5.051 11.210 -0.720 1.00 0.00 N ATOM 16 CA VAL A 2 -5.703 10.040 -0.142 1.00 0.00 C ATOM 17 C VAL A 2 -4.678 8.998 0.291 1.00 0.00 C ATOM 18 O VAL A 2 -3.872 8.534 -0.514 1.00 0.00 O ATOM 19 CB VAL A 2 -6.685 9.396 -1.138 1.00 0.00 C ATOM 20 CG1 VAL A 2 -7.466 8.272 -0.474 1.00 0.00 C ATOM 21 CG2 VAL A 2 -7.628 10.443 -1.711 1.00 0.00 C ATOM 0 H VAL A 2 -5.315 11.406 -1.686 1.00 0.00 H new ATOM 0 HA VAL A 2 -6.257 10.385 0.731 1.00 0.00 H new ATOM 0 HB VAL A 2 -6.109 8.969 -1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.154 7.831 -1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.774 7.508 -0.119 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.031 8.670 0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.314 9.969 -2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.196 10.903 -0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -7.050 11.208 -2.229 1.00 0.00 H new ATOM 31 N MET A 3 -4.716 8.633 1.568 1.00 0.00 N ATOM 32 CA MET A 3 -3.792 7.642 2.110 1.00 0.00 C ATOM 33 C MET A 3 -4.272 6.230 1.790 1.00 0.00 C ATOM 34 O MET A 3 -5.450 6.020 1.501 1.00 0.00 O ATOM 35 CB MET A 3 -3.659 7.815 3.622 1.00 0.00 C ATOM 36 CG MET A 3 -3.506 9.262 4.062 1.00 0.00 C ATOM 37 SD MET A 3 -1.918 9.970 3.583 1.00 0.00 S ATOM 38 CE MET A 3 -1.214 10.334 5.188 1.00 0.00 C ATOM 0 H MET A 3 -5.377 9.009 2.248 1.00 0.00 H new ATOM 0 HA MET A 3 -2.817 7.793 1.647 1.00 0.00 H new ATOM 0 HB2 MET A 3 -4.538 7.389 4.106 1.00 0.00 H new ATOM 0 HB3 MET A 3 -2.796 7.246 3.969 1.00 0.00 H new ATOM 0 HG2 MET A 3 -4.310 9.856 3.628 1.00 0.00 H new ATOM 0 HG3 MET A 3 -3.614 9.322 5.145 1.00 0.00 H new ATOM 0 HE1 MET A 3 -0.132 10.210 5.147 1.00 0.00 H new ATOM 0 HE2 MET A 3 -1.451 11.361 5.465 1.00 0.00 H new ATOM 0 HE3 MET A 3 -1.630 9.653 5.931 1.00 0.00 H new ATOM 48 N TRP A 4 -3.359 5.263 1.837 1.00 0.00 N ATOM 49 CA TRP A 4 -3.716 3.877 1.541 1.00 0.00 C ATOM 50 C TRP A 4 -2.884 2.886 2.352 1.00 0.00 C ATOM 51 O TRP A 4 -1.666 2.808 2.195 1.00 0.00 O ATOM 52 CB TRP A 4 -3.538 3.595 0.051 1.00 0.00 C ATOM 53 CG TRP A 4 -4.505 4.344 -0.813 1.00 0.00 C ATOM 54 CD1 TRP A 4 -4.455 5.666 -1.142 1.00 0.00 C ATOM 55 CD2 TRP A 4 -5.666 3.812 -1.458 1.00 0.00 C ATOM 56 NE1 TRP A 4 -5.515 5.991 -1.953 1.00 0.00 N ATOM 57 CE2 TRP A 4 -6.273 4.868 -2.162 1.00 0.00 C ATOM 58 CE3 TRP A 4 -6.251 2.545 -1.509 1.00 0.00 C ATOM 59 CZ2 TRP A 4 -7.436 4.696 -2.907 1.00 0.00 C ATOM 60 CZ3 TRP A 4 -7.405 2.373 -2.249 1.00 0.00 C ATOM 61 CH2 TRP A 4 -7.987 3.443 -2.939 1.00 0.00 C ATOM 0 H TRP A 4 -2.378 5.410 2.074 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.761 3.745 1.821 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -2.521 3.857 -0.242 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -3.656 2.526 -0.126 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -3.693 6.357 -0.813 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -5.707 6.916 -2.337 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -5.809 1.714 -0.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -7.887 5.520 -3.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -7.866 1.397 -2.296 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -8.889 3.277 -3.508 1.00 0.00 H new ATOM 72 N GLU A 5 -3.556 2.119 3.206 1.00 0.00 N ATOM 73 CA GLU A 5 -2.885 1.118 4.030 1.00 0.00 C ATOM 74 C GLU A 5 -2.628 -0.155 3.225 1.00 0.00 C ATOM 75 O GLU A 5 -3.503 -0.621 2.497 1.00 0.00 O ATOM 76 CB GLU A 5 -3.729 0.788 5.263 1.00 0.00 C ATOM 77 CG GLU A 5 -5.184 0.487 4.943 1.00 0.00 C ATOM 78 CD GLU A 5 -5.917 -0.152 6.106 1.00 0.00 C ATOM 79 OE1 GLU A 5 -5.870 -1.394 6.228 1.00 0.00 O ATOM 80 OE2 GLU A 5 -6.538 0.590 6.897 1.00 0.00 O ATOM 0 H GLU A 5 -4.565 2.172 3.346 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.929 1.530 4.354 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.293 -0.071 5.772 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.685 1.626 5.958 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.689 1.411 4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.232 -0.176 4.079 1.00 0.00 H new ATOM 87 N TYR A 6 -1.428 -0.716 3.360 1.00 0.00 N ATOM 88 CA TYR A 6 -1.072 -1.936 2.640 1.00 0.00 C ATOM 89 C TYR A 6 -0.541 -3.004 3.593 1.00 0.00 C ATOM 90 O TYR A 6 0.252 -2.715 4.491 1.00 0.00 O ATOM 91 CB TYR A 6 -0.037 -1.633 1.547 1.00 0.00 C ATOM 92 CG TYR A 6 1.398 -1.592 2.035 1.00 0.00 C ATOM 93 CD1 TYR A 6 2.110 -2.765 2.253 1.00 0.00 C ATOM 94 CD2 TYR A 6 2.037 -0.382 2.271 1.00 0.00 C ATOM 95 CE1 TYR A 6 3.418 -2.733 2.695 1.00 0.00 C ATOM 96 CE2 TYR A 6 3.346 -0.343 2.713 1.00 0.00 C ATOM 97 CZ TYR A 6 4.031 -1.520 2.924 1.00 0.00 C ATOM 98 OH TYR A 6 5.336 -1.484 3.363 1.00 0.00 O ATOM 0 H TYR A 6 -0.689 -0.347 3.959 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.976 -2.323 2.169 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.120 -2.388 0.766 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.280 -0.674 1.090 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.633 -3.717 2.074 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.503 0.542 2.107 1.00 0.00 H new ATOM 0 HE1 TYR A 6 3.958 -3.654 2.860 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.830 0.606 2.892 1.00 0.00 H new ATOM 0 HH TYR A 6 5.915 -1.923 2.705 1.00 0.00 H new ATOM 108 N LYS A 7 -0.980 -4.241 3.383 1.00 0.00 N ATOM 109 CA LYS A 7 -0.550 -5.360 4.208 1.00 0.00 C ATOM 110 C LYS A 7 0.009 -6.480 3.336 1.00 0.00 C ATOM 111 O LYS A 7 -0.630 -6.908 2.375 1.00 0.00 O ATOM 112 CB LYS A 7 -1.716 -5.884 5.051 1.00 0.00 C ATOM 113 CG LYS A 7 -1.343 -7.048 5.955 1.00 0.00 C ATOM 114 CD LYS A 7 -2.541 -7.543 6.749 1.00 0.00 C ATOM 115 CE LYS A 7 -3.108 -6.449 7.640 1.00 0.00 C ATOM 116 NZ LYS A 7 -4.169 -6.966 8.548 1.00 0.00 N ATOM 0 H LYS A 7 -1.637 -4.493 2.644 1.00 0.00 H new ATOM 0 HA LYS A 7 0.236 -5.010 4.877 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.104 -5.070 5.663 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.522 -6.196 4.386 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.942 -7.863 5.353 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.553 -6.739 6.640 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.313 -7.893 6.064 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.247 -8.396 7.360 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.305 -6.011 8.233 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.518 -5.652 7.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.529 -6.189 9.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.947 -7.361 7.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.772 -7.709 9.158 1.00 0.00 H new ATOM 130 N TRP A 8 1.208 -6.943 3.670 1.00 0.00 N ATOM 131 CA TRP A 8 1.855 -8.006 2.910 1.00 0.00 C ATOM 132 C TRP A 8 1.000 -9.268 2.896 1.00 0.00 C ATOM 133 O TRP A 8 0.714 -9.824 1.836 1.00 0.00 O ATOM 134 CB TRP A 8 3.232 -8.314 3.499 1.00 0.00 C ATOM 135 CG TRP A 8 4.180 -7.156 3.431 1.00 0.00 C ATOM 136 CD1 TRP A 8 4.639 -6.413 4.480 1.00 0.00 C ATOM 137 CD2 TRP A 8 4.783 -6.607 2.254 1.00 0.00 C ATOM 138 NE1 TRP A 8 5.491 -5.435 4.026 1.00 0.00 N ATOM 139 CE2 TRP A 8 5.596 -5.534 2.664 1.00 0.00 C ATOM 140 CE3 TRP A 8 4.715 -6.918 0.892 1.00 0.00 C ATOM 141 CZ2 TRP A 8 6.336 -4.772 1.763 1.00 0.00 C ATOM 142 CZ3 TRP A 8 5.450 -6.161 -0.001 1.00 0.00 C ATOM 143 CH2 TRP A 8 6.251 -5.099 0.439 1.00 0.00 C ATOM 0 H TRP A 8 1.752 -6.599 4.462 1.00 0.00 H new ATOM 0 HA TRP A 8 1.974 -7.662 1.883 1.00 0.00 H new ATOM 0 HB2 TRP A 8 3.115 -8.617 4.539 1.00 0.00 H new ATOM 0 HB3 TRP A 8 3.666 -9.161 2.967 1.00 0.00 H new ATOM 0 HD1 TRP A 8 4.372 -6.571 5.515 1.00 0.00 H new ATOM 0 HE1 TRP A 8 5.968 -4.747 4.609 1.00 0.00 H new ATOM 0 HE3 TRP A 8 4.100 -7.735 0.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 6.954 -3.953 2.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 5.406 -6.392 -1.055 1.00 0.00 H new ATOM 0 HH2 TRP A 8 6.813 -4.527 -0.284 1.00 0.00 H new ATOM 154 N GLU A 9 0.597 -9.714 4.079 1.00 0.00 N ATOM 155 CA GLU A 9 -0.225 -10.911 4.201 1.00 0.00 C ATOM 156 C GLU A 9 -1.402 -10.670 5.139 1.00 0.00 C ATOM 157 O GLU A 9 -1.265 -10.007 6.167 1.00 0.00 O ATOM 158 CB GLU A 9 0.616 -12.083 4.710 1.00 0.00 C ATOM 159 CG GLU A 9 1.383 -12.802 3.613 1.00 0.00 C ATOM 160 CD GLU A 9 2.415 -13.768 4.160 1.00 0.00 C ATOM 161 OE1 GLU A 9 2.023 -14.711 4.880 1.00 0.00 O ATOM 162 OE2 GLU A 9 3.615 -13.584 3.868 1.00 0.00 O ATOM 0 H GLU A 9 0.826 -9.266 4.966 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.616 -11.155 3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.322 -11.716 5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.037 -12.796 5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.681 -13.346 2.981 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.879 -12.067 2.980 1.00 0.00 H new ATOM 169 N ASN A 10 -2.560 -11.214 4.779 1.00 0.00 N ATOM 170 CA ASN A 10 -3.762 -11.060 5.589 1.00 0.00 C ATOM 171 C ASN A 10 -3.776 -12.068 6.735 1.00 0.00 C ATOM 172 O ASN A 10 -4.697 -12.877 6.855 1.00 0.00 O ATOM 173 CB ASN A 10 -5.011 -11.230 4.722 1.00 0.00 C ATOM 174 CG ASN A 10 -6.118 -10.267 5.104 1.00 0.00 C ATOM 175 OD1 ASN A 10 -6.008 -9.059 4.893 1.00 0.00 O ATOM 176 ND2 ASN A 10 -7.195 -10.799 5.671 1.00 0.00 N ATOM 0 H ASN A 10 -2.691 -11.766 3.931 1.00 0.00 H new ATOM 0 HA ASN A 10 -3.761 -10.056 6.014 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.746 -11.078 3.676 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.376 -12.253 4.813 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -7.973 -10.201 5.950 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -7.244 -11.806 5.827 1.00 0.00 H new ATOM 183 N THR A 11 -2.747 -12.014 7.575 1.00 0.00 N ATOM 184 CA THR A 11 -2.637 -12.922 8.712 1.00 0.00 C ATOM 185 C THR A 11 -3.483 -12.429 9.877 1.00 0.00 C ATOM 186 O THR A 11 -4.247 -11.473 9.745 1.00 0.00 O ATOM 187 CB THR A 11 -1.177 -13.053 9.157 1.00 0.00 C ATOM 188 OG1 THR A 11 -0.839 -12.038 10.087 1.00 0.00 O ATOM 189 CG2 THR A 11 -0.190 -12.971 8.016 1.00 0.00 C ATOM 0 H THR A 11 -1.977 -11.351 7.490 1.00 0.00 H new ATOM 0 HA THR A 11 -3.002 -13.900 8.398 1.00 0.00 H new ATOM 0 HB THR A 11 -1.106 -14.043 9.608 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.273 -12.416 10.792 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.824 -13.071 8.404 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.388 -13.774 7.305 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.293 -12.009 7.514 1.00 0.00 H new ATOM 197 N GLY A 12 -3.329 -13.078 11.027 1.00 0.00 N ATOM 198 CA GLY A 12 -4.072 -12.676 12.204 1.00 0.00 C ATOM 199 C GLY A 12 -3.604 -11.333 12.738 1.00 0.00 C ATOM 200 O GLY A 12 -4.261 -10.732 13.588 1.00 0.00 O ATOM 0 H GLY A 12 -2.704 -13.873 11.163 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.133 -12.621 11.962 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.961 -13.434 12.980 1.00 0.00 H new ATOM 204 N ASP A 13 -2.465 -10.864 12.232 1.00 0.00 N ATOM 205 CA ASP A 13 -1.904 -9.589 12.651 1.00 0.00 C ATOM 206 C ASP A 13 -1.182 -8.910 11.491 1.00 0.00 C ATOM 207 O ASP A 13 -1.541 -7.804 11.087 1.00 0.00 O ATOM 208 CB ASP A 13 -0.937 -9.790 13.820 1.00 0.00 C ATOM 209 CG ASP A 13 -1.547 -10.607 14.941 1.00 0.00 C ATOM 210 OD1 ASP A 13 -1.443 -11.851 14.895 1.00 0.00 O ATOM 211 OD2 ASP A 13 -2.129 -10.004 15.866 1.00 0.00 O ATOM 0 H ASP A 13 -1.913 -11.354 11.528 1.00 0.00 H new ATOM 0 HA ASP A 13 -2.724 -8.948 12.975 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.036 -10.287 13.461 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.632 -8.818 14.207 1.00 0.00 H new ATOM 216 N ALA A 14 -0.165 -9.584 10.953 1.00 0.00 N ATOM 217 CA ALA A 14 0.610 -9.051 9.834 1.00 0.00 C ATOM 218 C ALA A 14 1.028 -7.605 10.080 1.00 0.00 C ATOM 219 O ALA A 14 0.771 -7.041 11.144 1.00 0.00 O ATOM 220 CB ALA A 14 -0.192 -9.156 8.545 1.00 0.00 C ATOM 0 H ALA A 14 0.141 -10.502 11.275 1.00 0.00 H new ATOM 0 HA ALA A 14 1.518 -9.647 9.742 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.395 -8.756 7.718 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.430 -10.201 8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.116 -8.586 8.644 1.00 0.00 H new ATOM 226 N GLU A 15 1.668 -7.008 9.082 1.00 0.00 N ATOM 227 CA GLU A 15 2.113 -5.624 9.181 1.00 0.00 C ATOM 228 C GLU A 15 1.089 -4.697 8.539 1.00 0.00 C ATOM 229 O GLU A 15 0.573 -4.982 7.458 1.00 0.00 O ATOM 230 CB GLU A 15 3.476 -5.440 8.508 1.00 0.00 C ATOM 231 CG GLU A 15 4.394 -6.647 8.641 1.00 0.00 C ATOM 232 CD GLU A 15 4.617 -7.055 10.084 1.00 0.00 C ATOM 233 OE1 GLU A 15 4.380 -6.218 10.981 1.00 0.00 O ATOM 234 OE2 GLU A 15 5.028 -8.210 10.317 1.00 0.00 O ATOM 0 H GLU A 15 1.890 -7.461 8.195 1.00 0.00 H new ATOM 0 HA GLU A 15 2.212 -5.373 10.237 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.323 -5.226 7.450 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.970 -4.570 8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.966 -7.486 8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.355 -6.420 8.179 1.00 0.00 H new ATOM 241 N LEU A 16 0.787 -3.594 9.212 1.00 0.00 N ATOM 242 CA LEU A 16 -0.189 -2.639 8.702 1.00 0.00 C ATOM 243 C LEU A 16 0.458 -1.300 8.373 1.00 0.00 C ATOM 244 O LEU A 16 0.441 -0.373 9.183 1.00 0.00 O ATOM 245 CB LEU A 16 -1.315 -2.435 9.716 1.00 0.00 C ATOM 246 CG LEU A 16 -2.685 -2.124 9.109 1.00 0.00 C ATOM 247 CD1 LEU A 16 -2.589 -0.942 8.156 1.00 0.00 C ATOM 248 CD2 LEU A 16 -3.237 -3.346 8.391 1.00 0.00 C ATOM 0 H LEU A 16 1.202 -3.339 10.108 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.602 -3.052 7.782 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.401 -3.334 10.327 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.038 -1.620 10.385 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.369 -1.860 9.915 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.572 -0.735 7.733 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.235 -0.065 8.698 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.891 -1.178 7.353 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.212 -3.108 7.965 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.554 -3.639 7.594 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.341 -4.168 9.099 1.00 0.00 H new ATOM 260 N TYR A 17 1.008 -1.200 7.170 1.00 0.00 N ATOM 261 CA TYR A 17 1.639 0.031 6.717 1.00 0.00 C ATOM 262 C TYR A 17 0.784 0.679 5.639 1.00 0.00 C ATOM 263 O TYR A 17 -0.333 0.237 5.380 1.00 0.00 O ATOM 264 CB TYR A 17 3.042 -0.250 6.171 1.00 0.00 C ATOM 265 CG TYR A 17 3.919 -1.040 7.116 1.00 0.00 C ATOM 266 CD1 TYR A 17 4.192 -0.573 8.395 1.00 0.00 C ATOM 267 CD2 TYR A 17 4.476 -2.251 6.727 1.00 0.00 C ATOM 268 CE1 TYR A 17 4.995 -1.290 9.261 1.00 0.00 C ATOM 269 CE2 TYR A 17 5.280 -2.975 7.586 1.00 0.00 C ATOM 270 CZ TYR A 17 5.537 -2.492 8.851 1.00 0.00 C ATOM 271 OH TYR A 17 6.337 -3.210 9.709 1.00 0.00 O ATOM 0 H TYR A 17 1.029 -1.959 6.489 1.00 0.00 H new ATOM 0 HA TYR A 17 1.729 0.709 7.565 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.953 -0.795 5.231 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.530 0.698 5.945 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.769 0.367 8.718 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.277 -2.633 5.737 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.198 -0.913 10.252 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.705 -3.915 7.268 1.00 0.00 H new ATOM 0 HH TYR A 17 6.636 -4.032 9.267 1.00 0.00 H new ATOM 281 N GLY A 18 1.310 1.720 5.005 1.00 0.00 N ATOM 282 CA GLY A 18 0.571 2.387 3.956 1.00 0.00 C ATOM 283 C GLY A 18 0.006 3.753 4.332 1.00 0.00 C ATOM 284 O GLY A 18 -0.472 4.465 3.449 1.00 0.00 O ATOM 0 H GLY A 18 2.232 2.111 5.199 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.224 2.506 3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.252 1.743 3.647 1.00 0.00 H new ATOM 288 N PRO A 19 0.033 4.176 5.618 1.00 0.00 N ATOM 289 CA PRO A 19 -0.499 5.484 6.011 1.00 0.00 C ATOM 290 C PRO A 19 -0.117 6.586 5.024 1.00 0.00 C ATOM 291 O PRO A 19 -0.820 7.585 4.884 1.00 0.00 O ATOM 292 CB PRO A 19 0.152 5.727 7.368 1.00 0.00 C ATOM 293 CG PRO A 19 0.335 4.367 7.943 1.00 0.00 C ATOM 294 CD PRO A 19 0.573 3.438 6.779 1.00 0.00 C ATOM 0 HA PRO A 19 -1.589 5.496 6.036 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.105 6.245 7.264 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.479 6.346 8.006 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.178 4.348 8.633 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.546 4.063 8.508 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.633 3.218 6.654 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.063 2.485 6.918 1.00 0.00 H new ATOM 302 N PHE A 20 1.003 6.380 4.337 1.00 0.00 N ATOM 303 CA PHE A 20 1.496 7.335 3.346 1.00 0.00 C ATOM 304 C PHE A 20 0.390 7.722 2.367 1.00 0.00 C ATOM 305 O PHE A 20 -0.667 7.084 2.316 1.00 0.00 O ATOM 306 CB PHE A 20 2.686 6.754 2.570 1.00 0.00 C ATOM 307 CG PHE A 20 3.430 5.669 3.300 1.00 0.00 C ATOM 308 CD1 PHE A 20 4.489 5.977 4.138 1.00 0.00 C ATOM 309 CD2 PHE A 20 3.063 4.341 3.148 1.00 0.00 C ATOM 310 CE1 PHE A 20 5.171 4.979 4.809 1.00 0.00 C ATOM 311 CE2 PHE A 20 3.742 3.340 3.817 1.00 0.00 C ATOM 312 CZ PHE A 20 4.796 3.661 4.648 1.00 0.00 C ATOM 0 H PHE A 20 1.591 5.554 4.449 1.00 0.00 H new ATOM 0 HA PHE A 20 1.824 8.226 3.882 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.327 6.357 1.621 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.381 7.561 2.336 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.785 7.007 4.269 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.238 4.086 2.500 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.996 5.231 5.458 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.448 2.309 3.690 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.327 2.881 5.172 1.00 0.00 H new ATOM 322 N THR A 21 0.646 8.769 1.590 1.00 0.00 N ATOM 323 CA THR A 21 -0.317 9.249 0.605 1.00 0.00 C ATOM 324 C THR A 21 -0.308 8.367 -0.635 1.00 0.00 C ATOM 325 O THR A 21 0.701 7.739 -0.953 1.00 0.00 O ATOM 326 CB THR A 21 -0.001 10.694 0.215 1.00 0.00 C ATOM 327 OG1 THR A 21 1.127 10.748 -0.639 1.00 0.00 O ATOM 328 CG2 THR A 21 0.281 11.588 1.404 1.00 0.00 C ATOM 0 H THR A 21 1.515 9.303 1.623 1.00 0.00 H new ATOM 0 HA THR A 21 -1.309 9.208 1.054 1.00 0.00 H new ATOM 0 HB THR A 21 -0.896 11.058 -0.289 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.312 11.680 -0.878 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.497 12.598 1.056 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.590 11.608 2.059 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.139 11.202 1.954 1.00 0.00 H new ATOM 336 N SER A 22 -1.436 8.331 -1.343 1.00 0.00 N ATOM 337 CA SER A 22 -1.547 7.533 -2.562 1.00 0.00 C ATOM 338 C SER A 22 -0.342 7.783 -3.462 1.00 0.00 C ATOM 339 O SER A 22 0.085 6.904 -4.211 1.00 0.00 O ATOM 340 CB SER A 22 -2.840 7.873 -3.307 1.00 0.00 C ATOM 341 OG SER A 22 -2.878 7.244 -4.576 1.00 0.00 O ATOM 0 H SER A 22 -2.282 8.843 -1.094 1.00 0.00 H new ATOM 0 HA SER A 22 -1.571 6.478 -2.287 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.699 7.556 -2.715 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.919 8.953 -3.431 1.00 0.00 H new ATOM 0 HG SER A 22 -3.714 7.476 -5.031 1.00 0.00 H new ATOM 347 N ALA A 23 0.206 8.988 -3.363 1.00 0.00 N ATOM 348 CA ALA A 23 1.371 9.373 -4.141 1.00 0.00 C ATOM 349 C ALA A 23 2.563 8.490 -3.795 1.00 0.00 C ATOM 350 O ALA A 23 3.134 7.829 -4.663 1.00 0.00 O ATOM 351 CB ALA A 23 1.701 10.834 -3.882 1.00 0.00 C ATOM 0 H ALA A 23 -0.144 9.720 -2.745 1.00 0.00 H new ATOM 0 HA ALA A 23 1.147 9.241 -5.199 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.575 11.119 -4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.853 11.455 -4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.912 10.977 -2.822 1.00 0.00 H new ATOM 357 N GLN A 24 2.928 8.479 -2.516 1.00 0.00 N ATOM 358 CA GLN A 24 4.046 7.671 -2.047 1.00 0.00 C ATOM 359 C GLN A 24 3.769 6.192 -2.274 1.00 0.00 C ATOM 360 O GLN A 24 4.666 5.421 -2.617 1.00 0.00 O ATOM 361 CB GLN A 24 4.306 7.931 -0.563 1.00 0.00 C ATOM 362 CG GLN A 24 5.662 7.435 -0.089 1.00 0.00 C ATOM 363 CD GLN A 24 6.798 8.357 -0.490 1.00 0.00 C ATOM 364 OE1 GLN A 24 6.629 9.574 -0.565 1.00 0.00 O ATOM 365 NE2 GLN A 24 7.964 7.777 -0.750 1.00 0.00 N ATOM 0 H GLN A 24 2.465 9.021 -1.787 1.00 0.00 H new ATOM 0 HA GLN A 24 4.933 7.952 -2.615 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.232 9.002 -0.372 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.525 7.448 0.025 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.648 7.334 0.996 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.844 6.442 -0.499 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.058 6.764 -0.675 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.766 8.344 -1.025 1.00 0.00 H new ATOM 374 N MET A 25 2.516 5.809 -2.081 1.00 0.00 N ATOM 375 CA MET A 25 2.100 4.426 -2.264 1.00 0.00 C ATOM 376 C MET A 25 2.256 4.006 -3.720 1.00 0.00 C ATOM 377 O MET A 25 2.845 2.968 -4.019 1.00 0.00 O ATOM 378 CB MET A 25 0.646 4.244 -1.822 1.00 0.00 C ATOM 379 CG MET A 25 0.488 4.012 -0.328 1.00 0.00 C ATOM 380 SD MET A 25 1.351 2.535 0.243 1.00 0.00 S ATOM 381 CE MET A 25 0.942 1.376 -1.061 1.00 0.00 C ATOM 0 H MET A 25 1.766 6.439 -1.796 1.00 0.00 H new ATOM 0 HA MET A 25 2.739 3.794 -1.648 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.075 5.128 -2.106 1.00 0.00 H new ATOM 0 HB3 MET A 25 0.215 3.400 -2.360 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.866 4.880 0.212 1.00 0.00 H new ATOM 0 HG3 MET A 25 -0.572 3.924 -0.088 1.00 0.00 H new ATOM 0 HE1 MET A 25 1.086 0.357 -0.701 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.098 1.513 -1.357 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.590 1.552 -1.920 1.00 0.00 H new ATOM 391 N GLN A 26 1.729 4.825 -4.625 1.00 0.00 N ATOM 392 CA GLN A 26 1.812 4.543 -6.053 1.00 0.00 C ATOM 393 C GLN A 26 3.260 4.313 -6.477 1.00 0.00 C ATOM 394 O GLN A 26 3.542 3.468 -7.327 1.00 0.00 O ATOM 395 CB GLN A 26 1.204 5.695 -6.859 1.00 0.00 C ATOM 396 CG GLN A 26 1.353 5.545 -8.368 1.00 0.00 C ATOM 397 CD GLN A 26 1.117 4.124 -8.847 1.00 0.00 C ATOM 398 OE1 GLN A 26 0.219 3.435 -8.366 1.00 0.00 O ATOM 399 NE2 GLN A 26 1.930 3.678 -9.799 1.00 0.00 N ATOM 0 H GLN A 26 1.240 5.690 -4.394 1.00 0.00 H new ATOM 0 HA GLN A 26 1.246 3.634 -6.254 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.145 5.775 -6.615 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.674 6.629 -6.549 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.649 6.212 -8.866 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.354 5.861 -8.662 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.662 4.284 -10.170 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.822 2.730 -10.159 1.00 0.00 H new ATOM 408 N THR A 27 4.174 5.064 -5.872 1.00 0.00 N ATOM 409 CA THR A 27 5.591 4.935 -6.184 1.00 0.00 C ATOM 410 C THR A 27 6.086 3.529 -5.863 1.00 0.00 C ATOM 411 O THR A 27 6.565 2.813 -6.741 1.00 0.00 O ATOM 412 CB THR A 27 6.407 5.967 -5.404 1.00 0.00 C ATOM 413 OG1 THR A 27 5.981 7.282 -5.715 1.00 0.00 O ATOM 414 CG2 THR A 27 7.893 5.889 -5.680 1.00 0.00 C ATOM 0 H THR A 27 3.959 5.767 -5.165 1.00 0.00 H new ATOM 0 HA THR A 27 5.722 5.116 -7.251 1.00 0.00 H new ATOM 0 HB THR A 27 6.237 5.734 -4.353 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.069 7.417 -5.383 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.412 6.648 -5.095 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.263 4.902 -5.403 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.076 6.061 -6.741 1.00 0.00 H new ATOM 422 N TRP A 28 5.963 3.139 -4.598 1.00 0.00 N ATOM 423 CA TRP A 28 6.395 1.818 -4.158 1.00 0.00 C ATOM 424 C TRP A 28 5.678 0.720 -4.935 1.00 0.00 C ATOM 425 O TRP A 28 6.302 -0.233 -5.402 1.00 0.00 O ATOM 426 CB TRP A 28 6.140 1.658 -2.660 1.00 0.00 C ATOM 427 CG TRP A 28 7.101 2.435 -1.813 1.00 0.00 C ATOM 428 CD1 TRP A 28 8.460 2.471 -1.937 1.00 0.00 C ATOM 429 CD2 TRP A 28 6.776 3.289 -0.711 1.00 0.00 C ATOM 430 NE1 TRP A 28 9.000 3.296 -0.980 1.00 0.00 N ATOM 431 CE2 TRP A 28 7.986 3.810 -0.215 1.00 0.00 C ATOM 432 CE3 TRP A 28 5.579 3.665 -0.096 1.00 0.00 C ATOM 433 CZ2 TRP A 28 8.033 4.686 0.866 1.00 0.00 C ATOM 434 CZ3 TRP A 28 5.626 4.534 0.977 1.00 0.00 C ATOM 435 CH2 TRP A 28 6.845 5.038 1.448 1.00 0.00 C ATOM 0 H TRP A 28 5.567 3.720 -3.859 1.00 0.00 H new ATOM 0 HA TRP A 28 7.464 1.725 -4.351 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.124 1.980 -2.434 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.205 0.602 -2.397 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.028 1.930 -2.679 1.00 0.00 H new ATOM 0 HE1 TRP A 28 9.993 3.494 -0.859 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.634 3.283 -0.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 8.972 5.074 1.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.707 4.830 1.461 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.848 5.718 2.287 1.00 0.00 H new ATOM 446 N VAL A 29 4.363 0.860 -5.077 1.00 0.00 N ATOM 447 CA VAL A 29 3.564 -0.118 -5.805 1.00 0.00 C ATOM 448 C VAL A 29 4.067 -0.273 -7.238 1.00 0.00 C ATOM 449 O VAL A 29 3.964 -1.348 -7.830 1.00 0.00 O ATOM 450 CB VAL A 29 2.074 0.284 -5.828 1.00 0.00 C ATOM 451 CG1 VAL A 29 1.262 -0.683 -6.676 1.00 0.00 C ATOM 452 CG2 VAL A 29 1.519 0.353 -4.414 1.00 0.00 C ATOM 0 H VAL A 29 3.829 1.642 -4.697 1.00 0.00 H new ATOM 0 HA VAL A 29 3.665 -1.070 -5.284 1.00 0.00 H new ATOM 0 HB VAL A 29 1.997 1.274 -6.278 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.216 -0.377 -6.676 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.641 -0.678 -7.698 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.346 -1.688 -6.263 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.467 0.638 -4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.615 -0.623 -3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.076 1.093 -3.840 1.00 0.00 H new ATOM 462 N SER A 30 4.610 0.808 -7.788 1.00 0.00 N ATOM 463 CA SER A 30 5.129 0.796 -9.150 1.00 0.00 C ATOM 464 C SER A 30 6.638 0.564 -9.162 1.00 0.00 C ATOM 465 O SER A 30 7.182 0.007 -10.115 1.00 0.00 O ATOM 466 CB SER A 30 4.799 2.115 -9.853 1.00 0.00 C ATOM 467 OG SER A 30 5.562 2.267 -11.038 1.00 0.00 O ATOM 0 H SER A 30 4.702 1.705 -7.310 1.00 0.00 H new ATOM 0 HA SER A 30 4.652 -0.026 -9.685 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.737 2.146 -10.095 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.997 2.949 -9.180 1.00 0.00 H new ATOM 0 HG SER A 30 5.331 3.116 -11.469 1.00 0.00 H new ATOM 473 N GLU A 31 7.310 0.998 -8.100 1.00 0.00 N ATOM 474 CA GLU A 31 8.758 0.838 -7.990 1.00 0.00 C ATOM 475 C GLU A 31 9.161 -0.625 -8.153 1.00 0.00 C ATOM 476 O GLU A 31 10.252 -0.927 -8.634 1.00 0.00 O ATOM 477 CB GLU A 31 9.252 1.367 -6.642 1.00 0.00 C ATOM 478 CG GLU A 31 10.705 1.810 -6.656 1.00 0.00 C ATOM 479 CD GLU A 31 10.991 2.836 -7.735 1.00 0.00 C ATOM 480 OE1 GLU A 31 10.147 3.733 -7.940 1.00 0.00 O ATOM 481 OE2 GLU A 31 12.059 2.742 -8.375 1.00 0.00 O ATOM 0 H GLU A 31 6.876 1.463 -7.303 1.00 0.00 H new ATOM 0 HA GLU A 31 9.221 1.415 -8.791 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.628 2.208 -6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.125 0.590 -5.888 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.963 2.229 -5.683 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.345 0.941 -6.808 1.00 0.00 H new ATOM 488 N GLY A 32 8.273 -1.526 -7.749 1.00 0.00 N ATOM 489 CA GLY A 32 8.555 -2.945 -7.857 1.00 0.00 C ATOM 490 C GLY A 32 8.713 -3.618 -6.505 1.00 0.00 C ATOM 491 O GLY A 32 8.944 -4.825 -6.432 1.00 0.00 O ATOM 0 H GLY A 32 7.363 -1.299 -7.349 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.749 -3.430 -8.407 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.467 -3.086 -8.437 1.00 0.00 H new ATOM 495 N TYR A 33 8.590 -2.841 -5.432 1.00 0.00 N ATOM 496 CA TYR A 33 8.722 -3.376 -4.083 1.00 0.00 C ATOM 497 C TYR A 33 7.694 -4.475 -3.832 1.00 0.00 C ATOM 498 O TYR A 33 7.953 -5.424 -3.091 1.00 0.00 O ATOM 499 CB TYR A 33 8.554 -2.261 -3.050 1.00 0.00 C ATOM 500 CG TYR A 33 9.832 -1.509 -2.758 1.00 0.00 C ATOM 501 CD1 TYR A 33 10.811 -2.056 -1.938 1.00 0.00 C ATOM 502 CD2 TYR A 33 10.061 -0.252 -3.303 1.00 0.00 C ATOM 503 CE1 TYR A 33 11.980 -1.372 -1.668 1.00 0.00 C ATOM 504 CE2 TYR A 33 11.229 0.439 -3.039 1.00 0.00 C ATOM 505 CZ TYR A 33 12.184 -0.125 -2.220 1.00 0.00 C ATOM 506 OH TYR A 33 13.348 0.558 -1.955 1.00 0.00 O ATOM 0 H TYR A 33 8.399 -1.840 -5.472 1.00 0.00 H new ATOM 0 HA TYR A 33 9.719 -3.805 -3.985 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.802 -1.557 -3.406 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.175 -2.690 -2.123 1.00 0.00 H new ATOM 0 HD1 TYR A 33 10.655 -3.033 -1.504 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.314 0.193 -3.944 1.00 0.00 H new ATOM 0 HE1 TYR A 33 12.731 -1.812 -1.028 1.00 0.00 H new ATOM 0 HE2 TYR A 33 11.392 1.415 -3.472 1.00 0.00 H new ATOM 0 HH TYR A 33 13.335 1.420 -2.421 1.00 0.00 H new ATOM 516 N PHE A 34 6.529 -4.341 -4.456 1.00 0.00 N ATOM 517 CA PHE A 34 5.462 -5.324 -4.301 1.00 0.00 C ATOM 518 C PHE A 34 5.319 -6.166 -5.566 1.00 0.00 C ATOM 519 O PHE A 34 4.384 -5.978 -6.345 1.00 0.00 O ATOM 520 CB PHE A 34 4.133 -4.631 -3.981 1.00 0.00 C ATOM 521 CG PHE A 34 4.267 -3.434 -3.078 1.00 0.00 C ATOM 522 CD1 PHE A 34 5.274 -3.370 -2.127 1.00 0.00 C ATOM 523 CD2 PHE A 34 3.382 -2.373 -3.183 1.00 0.00 C ATOM 524 CE1 PHE A 34 5.396 -2.270 -1.300 1.00 0.00 C ATOM 525 CE2 PHE A 34 3.501 -1.270 -2.358 1.00 0.00 C ATOM 526 CZ PHE A 34 4.508 -1.219 -1.416 1.00 0.00 C ATOM 0 H PHE A 34 6.299 -3.562 -5.073 1.00 0.00 H new ATOM 0 HA PHE A 34 5.724 -5.980 -3.471 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.664 -4.318 -4.914 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.463 -5.352 -3.514 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.971 -4.189 -2.032 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.591 -2.408 -3.917 1.00 0.00 H new ATOM 0 HE1 PHE A 34 6.185 -2.232 -0.564 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.806 -0.449 -2.451 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.601 -0.358 -0.770 1.00 0.00 H new ATOM 536 N PRO A 35 6.248 -7.111 -5.787 1.00 0.00 N ATOM 537 CA PRO A 35 6.223 -7.984 -6.965 1.00 0.00 C ATOM 538 C PRO A 35 4.992 -8.885 -6.992 1.00 0.00 C ATOM 539 O PRO A 35 4.598 -9.378 -8.049 1.00 0.00 O ATOM 540 CB PRO A 35 7.497 -8.823 -6.824 1.00 0.00 C ATOM 541 CG PRO A 35 7.848 -8.754 -5.377 1.00 0.00 C ATOM 542 CD PRO A 35 7.396 -7.401 -4.909 1.00 0.00 C ATOM 0 HA PRO A 35 6.179 -7.411 -7.891 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.328 -9.852 -7.140 1.00 0.00 H new ATOM 0 HB3 PRO A 35 8.301 -8.427 -7.444 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.353 -9.547 -4.817 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.920 -8.881 -5.229 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.107 -7.414 -3.858 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.183 -6.654 -5.014 1.00 0.00 H new ATOM 550 N ASP A 36 4.389 -9.099 -5.826 1.00 0.00 N ATOM 551 CA ASP A 36 3.208 -9.943 -5.723 1.00 0.00 C ATOM 552 C ASP A 36 1.984 -9.132 -5.294 1.00 0.00 C ATOM 553 O ASP A 36 0.919 -9.693 -5.037 1.00 0.00 O ATOM 554 CB ASP A 36 3.466 -11.072 -4.723 1.00 0.00 C ATOM 555 CG ASP A 36 2.273 -11.995 -4.562 1.00 0.00 C ATOM 556 OD1 ASP A 36 1.828 -12.572 -5.576 1.00 0.00 O ATOM 557 OD2 ASP A 36 1.787 -12.142 -3.422 1.00 0.00 O ATOM 0 H ASP A 36 4.700 -8.699 -4.941 1.00 0.00 H new ATOM 0 HA ASP A 36 3.003 -10.367 -6.706 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.328 -11.653 -5.051 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.721 -10.643 -3.754 1.00 0.00 H new ATOM 562 N GLY A 37 2.139 -7.812 -5.217 1.00 0.00 N ATOM 563 CA GLY A 37 1.035 -6.965 -4.814 1.00 0.00 C ATOM 564 C GLY A 37 0.799 -7.010 -3.320 1.00 0.00 C ATOM 565 O GLY A 37 1.228 -7.946 -2.646 1.00 0.00 O ATOM 0 H GLY A 37 3.007 -7.318 -5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.237 -5.938 -5.118 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.129 -7.279 -5.333 1.00 0.00 H new ATOM 569 N VAL A 38 0.120 -5.997 -2.800 1.00 0.00 N ATOM 570 CA VAL A 38 -0.167 -5.929 -1.376 1.00 0.00 C ATOM 571 C VAL A 38 -1.634 -5.607 -1.124 1.00 0.00 C ATOM 572 O VAL A 38 -2.331 -5.108 -2.007 1.00 0.00 O ATOM 573 CB VAL A 38 0.705 -4.871 -0.676 1.00 0.00 C ATOM 574 CG1 VAL A 38 2.117 -5.395 -0.470 1.00 0.00 C ATOM 575 CG2 VAL A 38 0.725 -3.576 -1.474 1.00 0.00 C ATOM 0 H VAL A 38 -0.241 -5.213 -3.343 1.00 0.00 H new ATOM 0 HA VAL A 38 0.063 -6.911 -0.962 1.00 0.00 H new ATOM 0 HB VAL A 38 0.270 -4.662 0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.719 -4.634 0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.086 -6.292 0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.560 -5.635 -1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.347 -2.842 -0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.132 -3.767 -2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.290 -3.190 -1.566 1.00 0.00 H new ATOM 585 N TYR A 39 -2.091 -5.890 0.089 1.00 0.00 N ATOM 586 CA TYR A 39 -3.471 -5.624 0.463 1.00 0.00 C ATOM 587 C TYR A 39 -3.670 -4.134 0.704 1.00 0.00 C ATOM 588 O TYR A 39 -3.626 -3.667 1.840 1.00 0.00 O ATOM 589 CB TYR A 39 -3.835 -6.420 1.719 1.00 0.00 C ATOM 590 CG TYR A 39 -4.905 -7.463 1.488 1.00 0.00 C ATOM 591 CD1 TYR A 39 -4.913 -8.236 0.333 1.00 0.00 C ATOM 592 CD2 TYR A 39 -5.907 -7.675 2.427 1.00 0.00 C ATOM 593 CE1 TYR A 39 -5.890 -9.190 0.121 1.00 0.00 C ATOM 594 CE2 TYR A 39 -6.887 -8.628 2.222 1.00 0.00 C ATOM 595 CZ TYR A 39 -6.874 -9.382 1.067 1.00 0.00 C ATOM 596 OH TYR A 39 -7.848 -10.332 0.858 1.00 0.00 O ATOM 0 H TYR A 39 -1.525 -6.304 0.830 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.126 -5.935 -0.351 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.939 -6.910 2.101 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -4.174 -5.729 2.491 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.144 -8.089 -0.410 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -5.920 -7.086 3.332 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.883 -9.783 -0.782 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.659 -8.781 2.962 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.464 -10.342 1.620 1.00 0.00 H new ATOM 606 N CYS A 40 -3.869 -3.389 -0.377 1.00 0.00 N ATOM 607 CA CYS A 40 -4.051 -1.946 -0.289 1.00 0.00 C ATOM 608 C CYS A 40 -5.514 -1.572 -0.073 1.00 0.00 C ATOM 609 O CYS A 40 -6.420 -2.282 -0.505 1.00 0.00 O ATOM 610 CB CYS A 40 -3.535 -1.273 -1.558 1.00 0.00 C ATOM 611 SG CYS A 40 -1.784 -0.826 -1.497 1.00 0.00 S ATOM 0 H CYS A 40 -3.908 -3.761 -1.326 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.481 -1.597 0.572 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.699 -1.941 -2.403 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.122 -0.374 -1.744 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.440 -0.264 -2.618 1.00 0.00 H new ATOM 617 N ARG A 41 -5.728 -0.440 0.592 1.00 0.00 N ATOM 618 CA ARG A 41 -7.072 0.056 0.868 1.00 0.00 C ATOM 619 C ARG A 41 -7.007 1.356 1.664 1.00 0.00 C ATOM 620 O ARG A 41 -6.061 1.585 2.417 1.00 0.00 O ATOM 621 CB ARG A 41 -7.890 -0.990 1.633 1.00 0.00 C ATOM 622 CG ARG A 41 -7.565 -1.066 3.118 1.00 0.00 C ATOM 623 CD ARG A 41 -8.507 -2.013 3.841 1.00 0.00 C ATOM 624 NE ARG A 41 -9.860 -1.470 3.929 1.00 0.00 N ATOM 625 CZ ARG A 41 -10.206 -0.474 4.739 1.00 0.00 C ATOM 626 NH1 ARG A 41 -9.302 0.091 5.530 1.00 0.00 N ATOM 627 NH2 ARG A 41 -11.459 -0.039 4.757 1.00 0.00 N ATOM 0 H ARG A 41 -4.981 0.155 0.952 1.00 0.00 H new ATOM 0 HA ARG A 41 -7.565 0.251 -0.085 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.950 -0.765 1.515 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.720 -1.969 1.184 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.536 -1.401 3.251 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.636 -0.072 3.559 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.532 -2.969 3.319 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.128 -2.208 4.844 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.581 -1.879 3.335 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.337 -0.239 5.518 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.573 0.855 6.150 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.157 -0.469 4.150 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.725 0.725 5.378 1.00 0.00 H new ATOM 641 N LYS A 42 -8.018 2.201 1.501 1.00 0.00 N ATOM 642 CA LYS A 42 -8.074 3.465 2.209 1.00 0.00 C ATOM 643 C LYS A 42 -8.063 3.234 3.717 1.00 0.00 C ATOM 644 O LYS A 42 -8.754 2.351 4.226 1.00 0.00 O ATOM 645 CB LYS A 42 -9.329 4.229 1.797 1.00 0.00 C ATOM 646 CG LYS A 42 -9.399 4.522 0.307 1.00 0.00 C ATOM 647 CD LYS A 42 -10.838 4.584 -0.182 1.00 0.00 C ATOM 648 CE LYS A 42 -10.910 4.957 -1.655 1.00 0.00 C ATOM 649 NZ LYS A 42 -11.361 6.363 -1.851 1.00 0.00 N ATOM 0 H LYS A 42 -8.810 2.029 0.882 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.196 4.056 1.949 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.207 3.653 2.087 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.369 5.170 2.346 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.901 5.469 0.098 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.860 3.750 -0.242 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.318 3.618 -0.026 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.393 5.314 0.407 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.929 4.823 -2.112 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.595 4.281 -2.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.397 6.578 -2.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.308 6.485 -1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.694 7.010 -1.384 1.00 0.00 H new ATOM 663 N LEU A 43 -7.268 4.028 4.420 1.00 0.00 N ATOM 664 CA LEU A 43 -7.151 3.910 5.870 1.00 0.00 C ATOM 665 C LEU A 43 -8.516 4.021 6.547 1.00 0.00 C ATOM 666 O LEU A 43 -8.803 3.302 7.504 1.00 0.00 O ATOM 667 CB LEU A 43 -6.211 4.986 6.415 1.00 0.00 C ATOM 668 CG LEU A 43 -4.959 5.243 5.572 1.00 0.00 C ATOM 669 CD1 LEU A 43 -4.080 6.283 6.235 1.00 0.00 C ATOM 670 CD2 LEU A 43 -4.184 3.953 5.357 1.00 0.00 C ATOM 0 H LEU A 43 -6.692 4.763 4.010 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.739 2.926 6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.767 5.919 6.506 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.901 4.700 7.420 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.272 5.622 4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.194 6.454 5.623 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.635 7.215 6.339 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.777 5.929 7.220 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.298 4.157 4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.882 3.545 6.322 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.816 3.231 4.839 1.00 0.00 H new ATOM 682 N ASP A 44 -9.352 4.923 6.043 1.00 0.00 N ATOM 683 CA ASP A 44 -10.684 5.123 6.604 1.00 0.00 C ATOM 684 C ASP A 44 -11.761 4.589 5.658 1.00 0.00 C ATOM 685 O ASP A 44 -11.819 4.984 4.493 1.00 0.00 O ATOM 686 CB ASP A 44 -10.924 6.609 6.878 1.00 0.00 C ATOM 687 CG ASP A 44 -11.979 6.836 7.944 1.00 0.00 C ATOM 688 OD1 ASP A 44 -13.177 6.887 7.593 1.00 0.00 O ATOM 689 OD2 ASP A 44 -11.607 6.965 9.129 1.00 0.00 O ATOM 0 H ASP A 44 -9.132 5.525 5.250 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.743 4.571 7.542 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.989 7.074 7.191 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.232 7.101 5.955 1.00 0.00 H new ATOM 694 N PRO A 45 -12.633 3.679 6.139 1.00 0.00 N ATOM 695 CA PRO A 45 -12.602 3.179 7.520 1.00 0.00 C ATOM 696 C PRO A 45 -11.474 2.174 7.745 1.00 0.00 C ATOM 697 O PRO A 45 -10.999 1.543 6.803 1.00 0.00 O ATOM 698 CB PRO A 45 -13.962 2.500 7.674 1.00 0.00 C ATOM 699 CG PRO A 45 -14.312 2.049 6.298 1.00 0.00 C ATOM 700 CD PRO A 45 -13.726 3.068 5.358 1.00 0.00 C ATOM 0 HA PRO A 45 -12.422 3.975 8.243 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.910 1.659 8.366 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.708 3.191 8.067 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.906 1.057 6.099 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.393 1.982 6.174 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.354 2.603 4.445 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -14.467 3.809 5.059 1.00 0.00 H new ATOM 708 N PRO A 46 -11.031 2.015 9.003 1.00 0.00 N ATOM 709 CA PRO A 46 -9.953 1.082 9.348 1.00 0.00 C ATOM 710 C PRO A 46 -10.399 -0.375 9.283 1.00 0.00 C ATOM 711 O PRO A 46 -11.231 -0.815 10.075 1.00 0.00 O ATOM 712 CB PRO A 46 -9.599 1.470 10.784 1.00 0.00 C ATOM 713 CG PRO A 46 -10.856 2.045 11.338 1.00 0.00 C ATOM 714 CD PRO A 46 -11.543 2.730 10.189 1.00 0.00 C ATOM 0 HA PRO A 46 -9.116 1.151 8.653 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.272 0.604 11.359 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.786 2.196 10.810 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.488 1.264 11.761 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -10.641 2.751 12.140 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.627 2.653 10.267 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -11.301 3.792 10.153 1.00 0.00 H new ATOM 722 N GLY A 47 -9.840 -1.120 8.333 1.00 0.00 N ATOM 723 CA GLY A 47 -10.192 -2.519 8.183 1.00 0.00 C ATOM 724 C GLY A 47 -11.467 -2.714 7.388 1.00 0.00 C ATOM 725 O GLY A 47 -12.566 -2.631 7.935 1.00 0.00 O ATOM 0 H GLY A 47 -9.149 -0.778 7.665 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.375 -3.045 7.689 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.310 -2.968 9.169 1.00 0.00 H new ATOM 729 N GLY A 48 -11.321 -2.975 6.092 1.00 0.00 N ATOM 730 CA GLY A 48 -12.481 -3.177 5.245 1.00 0.00 C ATOM 731 C GLY A 48 -12.193 -4.070 4.057 1.00 0.00 C ATOM 732 O GLY A 48 -11.279 -4.893 4.097 1.00 0.00 O ATOM 0 H GLY A 48 -10.422 -3.050 5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.285 -3.615 5.836 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.838 -2.211 4.889 1.00 0.00 H new ATOM 736 N GLN A 49 -12.980 -3.908 2.998 1.00 0.00 N ATOM 737 CA GLN A 49 -12.812 -4.705 1.792 1.00 0.00 C ATOM 738 C GLN A 49 -11.492 -4.381 1.105 1.00 0.00 C ATOM 739 O GLN A 49 -11.463 -3.703 0.077 1.00 0.00 O ATOM 740 CB GLN A 49 -13.971 -4.461 0.827 1.00 0.00 C ATOM 741 CG GLN A 49 -15.231 -5.234 1.180 1.00 0.00 C ATOM 742 CD GLN A 49 -15.556 -6.313 0.166 1.00 0.00 C ATOM 743 OE1 GLN A 49 -14.664 -6.992 -0.343 1.00 0.00 O ATOM 744 NE2 GLN A 49 -16.839 -6.477 -0.133 1.00 0.00 N ATOM 0 H GLN A 49 -13.741 -3.230 2.953 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.804 -5.756 2.082 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.201 -3.396 0.811 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -13.657 -4.735 -0.180 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -15.110 -5.689 2.163 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -16.070 -4.542 1.250 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -17.545 -5.892 0.313 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -17.118 -7.188 -0.809 1.00 0.00 H new ATOM 753 N PHE A 50 -10.403 -4.872 1.684 1.00 0.00 N ATOM 754 CA PHE A 50 -9.064 -4.645 1.140 1.00 0.00 C ATOM 755 C PHE A 50 -9.045 -4.802 -0.381 1.00 0.00 C ATOM 756 O PHE A 50 -9.915 -5.452 -0.958 1.00 0.00 O ATOM 757 CB PHE A 50 -8.064 -5.620 1.769 1.00 0.00 C ATOM 758 CG PHE A 50 -7.285 -5.030 2.910 1.00 0.00 C ATOM 759 CD1 PHE A 50 -6.274 -4.112 2.675 1.00 0.00 C ATOM 760 CD2 PHE A 50 -7.562 -5.396 4.216 1.00 0.00 C ATOM 761 CE1 PHE A 50 -5.555 -3.569 3.724 1.00 0.00 C ATOM 762 CE2 PHE A 50 -6.848 -4.856 5.267 1.00 0.00 C ATOM 763 CZ PHE A 50 -5.843 -3.941 5.022 1.00 0.00 C ATOM 0 H PHE A 50 -10.419 -5.434 2.535 1.00 0.00 H new ATOM 0 HA PHE A 50 -8.778 -3.622 1.383 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -8.601 -6.500 2.123 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -7.368 -5.959 1.002 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -6.045 -3.817 1.661 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -8.346 -6.112 4.415 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.769 -2.855 3.528 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.075 -5.149 6.281 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.284 -3.518 5.843 1.00 0.00 H new ATOM 773 N TYR A 51 -8.047 -4.200 -1.018 1.00 0.00 N ATOM 774 CA TYR A 51 -7.912 -4.270 -2.468 1.00 0.00 C ATOM 775 C TYR A 51 -6.443 -4.373 -2.869 1.00 0.00 C ATOM 776 O TYR A 51 -5.618 -3.559 -2.456 1.00 0.00 O ATOM 777 CB TYR A 51 -8.547 -3.040 -3.120 1.00 0.00 C ATOM 778 CG TYR A 51 -9.957 -3.275 -3.614 1.00 0.00 C ATOM 779 CD1 TYR A 51 -10.192 -3.898 -4.832 1.00 0.00 C ATOM 780 CD2 TYR A 51 -11.053 -2.873 -2.860 1.00 0.00 C ATOM 781 CE1 TYR A 51 -11.480 -4.114 -5.287 1.00 0.00 C ATOM 782 CE2 TYR A 51 -12.343 -3.085 -3.307 1.00 0.00 C ATOM 783 CZ TYR A 51 -12.551 -3.706 -4.522 1.00 0.00 C ATOM 784 OH TYR A 51 -13.834 -3.919 -4.971 1.00 0.00 O ATOM 0 H TYR A 51 -7.319 -3.658 -0.553 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.430 -5.163 -2.816 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.555 -2.221 -2.400 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.926 -2.722 -3.958 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -9.355 -4.219 -5.434 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -10.894 -2.387 -1.909 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -11.646 -4.600 -6.237 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -13.184 -2.767 -2.709 1.00 0.00 H new ATOM 0 HH TYR A 51 -14.473 -3.573 -4.313 1.00 0.00 H new ATOM 794 N ASN A 52 -6.125 -5.377 -3.679 1.00 0.00 N ATOM 795 CA ASN A 52 -4.755 -5.585 -4.136 1.00 0.00 C ATOM 796 C ASN A 52 -4.214 -4.334 -4.823 1.00 0.00 C ATOM 797 O ASN A 52 -4.861 -3.772 -5.706 1.00 0.00 O ATOM 798 CB ASN A 52 -4.691 -6.775 -5.095 1.00 0.00 C ATOM 799 CG ASN A 52 -3.310 -7.398 -5.153 1.00 0.00 C ATOM 800 OD1 ASN A 52 -2.765 -7.825 -4.136 1.00 0.00 O ATOM 801 ND2 ASN A 52 -2.734 -7.451 -6.349 1.00 0.00 N ATOM 0 H ASN A 52 -6.796 -6.059 -4.032 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.136 -5.795 -3.264 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.414 -7.529 -4.783 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.982 -6.449 -6.094 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.804 -7.858 -6.450 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.222 -7.085 -7.167 1.00 0.00 H new ATOM 808 N SER A 53 -3.024 -3.906 -4.409 1.00 0.00 N ATOM 809 CA SER A 53 -2.396 -2.721 -4.985 1.00 0.00 C ATOM 810 C SER A 53 -2.308 -2.832 -6.505 1.00 0.00 C ATOM 811 O SER A 53 -2.314 -1.825 -7.212 1.00 0.00 O ATOM 812 CB SER A 53 -1.000 -2.520 -4.393 1.00 0.00 C ATOM 813 OG SER A 53 -0.043 -3.327 -5.057 1.00 0.00 O ATOM 0 H SER A 53 -2.477 -4.361 -3.678 1.00 0.00 H new ATOM 0 HA SER A 53 -3.015 -1.858 -4.740 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.715 -1.471 -4.474 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.013 -2.765 -3.331 1.00 0.00 H new ATOM 0 HG SER A 53 0.841 -3.179 -4.661 1.00 0.00 H new ATOM 819 N LYS A 54 -2.228 -4.064 -6.997 1.00 0.00 N ATOM 820 CA LYS A 54 -2.142 -4.308 -8.432 1.00 0.00 C ATOM 821 C LYS A 54 -3.522 -4.241 -9.089 1.00 0.00 C ATOM 822 O LYS A 54 -3.645 -4.386 -10.305 1.00 0.00 O ATOM 823 CB LYS A 54 -1.506 -5.673 -8.698 1.00 0.00 C ATOM 824 CG LYS A 54 -0.591 -5.692 -9.913 1.00 0.00 C ATOM 825 CD LYS A 54 0.798 -6.202 -9.560 1.00 0.00 C ATOM 826 CE LYS A 54 0.880 -7.715 -9.665 1.00 0.00 C ATOM 827 NZ LYS A 54 2.171 -8.240 -9.139 1.00 0.00 N ATOM 0 H LYS A 54 -2.221 -4.908 -6.424 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.518 -3.528 -8.868 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.936 -5.976 -7.820 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.296 -6.412 -8.837 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.026 -6.325 -10.687 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.516 -4.687 -10.328 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.533 -5.750 -10.226 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.054 -5.892 -8.547 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.054 -8.162 -9.112 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.765 -8.013 -10.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.187 -9.276 -9.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.959 -7.833 -9.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.270 -7.978 -8.137 1.00 0.00 H new ATOM 841 N ARG A 55 -4.558 -4.023 -8.281 1.00 0.00 N ATOM 842 CA ARG A 55 -5.921 -3.941 -8.795 1.00 0.00 C ATOM 843 C ARG A 55 -6.553 -2.580 -8.496 1.00 0.00 C ATOM 844 O ARG A 55 -7.731 -2.362 -8.778 1.00 0.00 O ATOM 845 CB ARG A 55 -6.778 -5.059 -8.196 1.00 0.00 C ATOM 846 CG ARG A 55 -7.523 -5.880 -9.237 1.00 0.00 C ATOM 847 CD ARG A 55 -6.813 -7.194 -9.525 1.00 0.00 C ATOM 848 NE ARG A 55 -7.754 -8.287 -9.756 1.00 0.00 N ATOM 849 CZ ARG A 55 -7.427 -9.575 -9.683 1.00 0.00 C ATOM 850 NH1 ARG A 55 -6.185 -9.936 -9.385 1.00 0.00 N ATOM 851 NH2 ARG A 55 -8.345 -10.505 -9.909 1.00 0.00 N ATOM 0 H ARG A 55 -4.479 -3.901 -7.271 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.876 -4.060 -9.878 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.139 -5.722 -7.612 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.500 -4.622 -7.506 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.535 -6.082 -8.886 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.614 -5.305 -10.158 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.173 -7.076 -10.400 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.164 -7.446 -8.687 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.719 -8.049 -9.987 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.475 -9.225 -9.210 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.940 -10.925 -9.331 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.301 -10.233 -10.139 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.095 -11.492 -9.853 1.00 0.00 H new ATOM 865 N ILE A 56 -5.768 -1.669 -7.927 1.00 0.00 N ATOM 866 CA ILE A 56 -6.261 -0.338 -7.599 1.00 0.00 C ATOM 867 C ILE A 56 -5.690 0.708 -8.553 1.00 0.00 C ATOM 868 O ILE A 56 -4.605 0.528 -9.108 1.00 0.00 O ATOM 869 CB ILE A 56 -5.905 0.045 -6.149 1.00 0.00 C ATOM 870 CG1 ILE A 56 -6.532 -0.955 -5.176 1.00 0.00 C ATOM 871 CG2 ILE A 56 -6.370 1.462 -5.837 1.00 0.00 C ATOM 872 CD1 ILE A 56 -6.329 -0.594 -3.721 1.00 0.00 C ATOM 0 H ILE A 56 -4.790 -1.829 -7.685 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.346 -0.361 -7.703 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.821 0.013 -6.035 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.601 -1.025 -5.379 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.108 -1.942 -5.359 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.109 1.712 -4.809 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.883 2.162 -6.516 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.451 1.526 -5.963 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.800 -1.348 -3.090 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.262 -0.553 -3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.778 0.379 -3.521 1.00 0.00 H new ATOM 884 N ASP A 57 -6.428 1.797 -8.741 1.00 0.00 N ATOM 885 CA ASP A 57 -5.994 2.869 -9.630 1.00 0.00 C ATOM 886 C ASP A 57 -5.499 4.072 -8.836 1.00 0.00 C ATOM 887 O ASP A 57 -6.290 4.797 -8.230 1.00 0.00 O ATOM 888 CB ASP A 57 -7.138 3.294 -10.555 1.00 0.00 C ATOM 889 CG ASP A 57 -6.656 4.129 -11.724 1.00 0.00 C ATOM 890 OD1 ASP A 57 -5.551 4.706 -11.626 1.00 0.00 O ATOM 891 OD2 ASP A 57 -7.382 4.210 -12.736 1.00 0.00 O ATOM 0 H ASP A 57 -7.328 1.961 -8.290 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.169 2.489 -10.233 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.646 2.406 -10.931 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.871 3.863 -9.984 1.00 0.00 H new ATOM 896 N PHE A 58 -4.187 4.284 -8.846 1.00 0.00 N ATOM 897 CA PHE A 58 -3.588 5.405 -8.131 1.00 0.00 C ATOM 898 C PHE A 58 -3.518 6.639 -9.026 1.00 0.00 C ATOM 899 O PHE A 58 -2.456 7.241 -9.191 1.00 0.00 O ATOM 900 CB PHE A 58 -2.186 5.037 -7.640 1.00 0.00 C ATOM 901 CG PHE A 58 -2.169 3.927 -6.629 1.00 0.00 C ATOM 902 CD1 PHE A 58 -2.415 2.618 -7.012 1.00 0.00 C ATOM 903 CD2 PHE A 58 -1.901 4.192 -5.295 1.00 0.00 C ATOM 904 CE1 PHE A 58 -2.393 1.594 -6.083 1.00 0.00 C ATOM 905 CE2 PHE A 58 -1.880 3.173 -4.362 1.00 0.00 C ATOM 906 CZ PHE A 58 -2.126 1.872 -4.756 1.00 0.00 C ATOM 0 H PHE A 58 -3.518 3.694 -9.341 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.216 5.633 -7.270 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.577 4.746 -8.496 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.721 5.921 -7.203 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.626 2.395 -8.047 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.706 5.207 -4.981 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.584 0.578 -6.394 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.671 3.393 -3.326 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.110 1.074 -4.029 1.00 0.00 H new ATOM 916 N ASP A 59 -4.654 7.005 -9.609 1.00 0.00 N ATOM 917 CA ASP A 59 -4.719 8.164 -10.494 1.00 0.00 C ATOM 918 C ASP A 59 -6.061 8.881 -10.371 1.00 0.00 C ATOM 919 O ASP A 59 -6.126 10.109 -10.436 1.00 0.00 O ATOM 920 CB ASP A 59 -4.491 7.732 -11.944 1.00 0.00 C ATOM 921 CG ASP A 59 -3.031 7.452 -12.241 1.00 0.00 C ATOM 922 OD1 ASP A 59 -2.539 6.377 -11.838 1.00 0.00 O ATOM 923 OD2 ASP A 59 -2.380 8.307 -12.877 1.00 0.00 O ATOM 0 H ASP A 59 -5.541 6.517 -9.486 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.934 8.859 -10.195 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.079 6.838 -12.150 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.852 8.512 -12.614 1.00 0.00 H new ATOM 928 N LEU A 60 -7.130 8.109 -10.198 1.00 0.00 N ATOM 929 CA LEU A 60 -8.466 8.671 -10.072 1.00 0.00 C ATOM 930 C LEU A 60 -8.844 8.870 -8.608 1.00 0.00 C ATOM 931 O LEU A 60 -10.020 8.835 -8.248 1.00 0.00 O ATOM 932 CB LEU A 60 -9.497 7.766 -10.757 1.00 0.00 C ATOM 933 CG LEU A 60 -8.951 6.894 -11.891 1.00 0.00 C ATOM 934 CD1 LEU A 60 -10.060 6.049 -12.497 1.00 0.00 C ATOM 935 CD2 LEU A 60 -8.292 7.757 -12.957 1.00 0.00 C ATOM 0 H LEU A 60 -7.094 7.091 -10.142 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.464 9.644 -10.563 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.943 7.116 -10.004 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.297 8.390 -11.154 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.198 6.224 -11.477 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.652 5.436 -13.301 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.486 5.403 -11.729 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.837 6.701 -12.896 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.910 7.121 -13.755 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.025 8.452 -13.367 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.469 8.317 -12.514 1.00 0.00 H new ATOM 947 N TYR A 61 -7.837 9.080 -7.767 1.00 0.00 N ATOM 948 CA TYR A 61 -8.061 9.286 -6.341 1.00 0.00 C ATOM 949 C TYR A 61 -7.371 10.558 -5.857 1.00 0.00 C ATOM 950 O TYR A 61 -7.922 11.308 -5.053 1.00 0.00 O ATOM 951 CB TYR A 61 -7.558 8.081 -5.544 1.00 0.00 C ATOM 952 CG TYR A 61 -8.350 6.818 -5.793 1.00 0.00 C ATOM 953 CD1 TYR A 61 -9.739 6.835 -5.788 1.00 0.00 C ATOM 954 CD2 TYR A 61 -7.709 5.608 -6.033 1.00 0.00 C ATOM 955 CE1 TYR A 61 -10.467 5.683 -6.016 1.00 0.00 C ATOM 956 CE2 TYR A 61 -8.430 4.452 -6.261 1.00 0.00 C ATOM 957 CZ TYR A 61 -9.808 4.494 -6.252 1.00 0.00 C ATOM 958 OH TYR A 61 -10.531 3.345 -6.479 1.00 0.00 O ATOM 0 H TYR A 61 -6.857 9.112 -8.049 1.00 0.00 H new ATOM 0 HA TYR A 61 -9.134 9.395 -6.181 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.513 7.900 -5.795 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -7.594 8.319 -4.481 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -10.258 7.764 -5.603 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.630 5.571 -6.041 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -11.547 5.713 -6.010 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.917 3.520 -6.445 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.917 2.596 -6.629 1.00 0.00 H new ATOM 968 N THR A 62 -6.159 10.793 -6.352 1.00 0.00 N ATOM 969 CA THR A 62 -5.393 11.975 -5.970 1.00 0.00 C ATOM 970 C THR A 62 -6.166 13.251 -6.288 1.00 0.00 C ATOM 971 O THR A 62 -7.060 13.200 -7.158 1.00 0.00 O ATOM 972 CB THR A 62 -4.044 11.989 -6.692 1.00 0.00 C ATOM 973 OG1 THR A 62 -4.179 11.503 -8.016 1.00 0.00 O ATOM 974 CG2 THR A 62 -2.988 11.153 -6.003 1.00 0.00 C ATOM 975 OXT THR A 62 -5.870 14.293 -5.664 1.00 0.00 O ATOM 0 H THR A 62 -5.687 10.181 -7.018 1.00 0.00 H new ATOM 0 HA THR A 62 -5.222 11.934 -4.894 1.00 0.00 H new ATOM 0 HB THR A 62 -3.723 13.031 -6.684 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.306 11.521 -8.462 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.057 11.207 -6.567 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.824 11.533 -4.994 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.321 10.117 -5.951 1.00 0.00 H new TER 983 THR A 62 ATOM 984 N SER B 63 18.167 12.525 -2.874 1.00 1.74 N ATOM 985 CA SER B 63 17.449 11.233 -2.717 1.00 0.57 C ATOM 986 C SER B 63 16.203 11.185 -3.594 1.00 0.32 C ATOM 987 O SER B 63 15.431 12.144 -3.646 1.00 0.57 O ATOM 988 CB SER B 63 17.068 11.063 -1.245 1.00 3.21 C ATOM 989 OG SER B 63 17.002 12.315 -0.584 1.00 3.64 O ATOM 0 HA SER B 63 18.102 10.419 -3.032 1.00 0.57 H new ATOM 0 HB2 SER B 63 16.104 10.559 -1.172 1.00 3.21 H new ATOM 0 HB3 SER B 63 17.799 10.425 -0.749 1.00 3.21 H new ATOM 0 HG SER B 63 17.256 13.028 -1.207 1.00 3.64 H new ATOM 997 N HIS B 64 16.011 10.064 -4.282 1.00 0.01 N ATOM 998 CA HIS B 64 14.858 9.891 -5.157 1.00 0.01 C ATOM 999 C HIS B 64 13.649 9.394 -4.372 1.00 0.01 C ATOM 1000 O HIS B 64 12.609 10.054 -4.330 1.00 0.01 O ATOM 1001 CB HIS B 64 15.189 8.909 -6.282 1.00 2.00 C ATOM 1002 CG HIS B 64 16.352 9.334 -7.125 1.00 2.30 C ATOM 1003 ND1 HIS B 64 16.398 10.542 -7.788 1.00 2.04 N ATOM 1004 CD2 HIS B 64 17.516 8.705 -7.410 1.00 3.49 C ATOM 1005 CE1 HIS B 64 17.541 10.636 -8.446 1.00 3.15 C ATOM 1006 NE2 HIS B 64 18.237 9.535 -8.232 1.00 3.94 N ATOM 0 H HIS B 64 16.640 9.262 -4.250 1.00 0.01 H new ATOM 0 HA HIS B 64 14.613 10.861 -5.590 1.00 0.01 H new ATOM 0 HB2 HIS B 64 15.403 7.932 -5.849 1.00 2.00 H new ATOM 0 HB3 HIS B 64 14.313 8.791 -6.919 1.00 2.00 H new ATOM 0 HD2 HIS B 64 17.821 7.731 -7.056 1.00 3.49 H new ATOM 0 HE1 HIS B 64 17.852 11.472 -9.055 1.00 3.15 H new ATOM 0 HE2 HIS B 64 19.161 9.334 -8.615 1.00 3.94 H new ATOM 1015 N ARG B 65 13.791 8.227 -3.752 1.00 0.01 N ATOM 1016 CA ARG B 65 12.709 7.643 -2.969 1.00 0.01 C ATOM 1017 C ARG B 65 13.261 6.661 -1.933 1.00 0.01 C ATOM 1018 O ARG B 65 14.154 5.868 -2.231 1.00 0.01 O ATOM 1019 CB ARG B 65 11.707 6.941 -3.896 1.00 2.83 C ATOM 1020 CG ARG B 65 10.787 5.949 -3.196 1.00 4.16 C ATOM 1021 CD ARG B 65 11.105 4.513 -3.589 1.00 5.14 C ATOM 1022 NE ARG B 65 12.529 4.207 -3.454 1.00 5.48 N ATOM 1023 CZ ARG B 65 13.392 4.197 -4.469 1.00 6.18 C ATOM 1024 NH1 ARG B 65 12.992 4.486 -5.702 1.00 6.89 N ATOM 1025 NH2 ARG B 65 14.664 3.896 -4.250 1.00 6.46 N ATOM 0 H ARG B 65 14.644 7.668 -3.777 1.00 0.01 H new ATOM 0 HA ARG B 65 12.193 8.443 -2.437 1.00 0.01 H new ATOM 0 HB2 ARG B 65 11.097 7.697 -4.390 1.00 2.83 H new ATOM 0 HB3 ARG B 65 12.259 6.417 -4.677 1.00 2.83 H new ATOM 0 HG2 ARG B 65 10.885 6.061 -2.116 1.00 4.16 H new ATOM 0 HG3 ARG B 65 9.750 6.174 -3.447 1.00 4.16 H new ATOM 0 HD2 ARG B 65 10.528 3.831 -2.965 1.00 5.14 H new ATOM 0 HD3 ARG B 65 10.794 4.343 -4.620 1.00 5.14 H new ATOM 0 HE ARG B 65 12.884 3.987 -2.523 1.00 5.48 H new ATOM 0 HH11 ARG B 65 12.015 4.719 -5.880 1.00 6.89 H new ATOM 0 HH12 ARG B 65 13.662 4.475 -6.471 1.00 6.89 H new ATOM 0 HH21 ARG B 65 14.980 3.673 -3.306 1.00 6.46 H new ATOM 0 HH22 ARG B 65 15.327 3.888 -5.025 1.00 6.46 H new ATOM 1039 N PRO B 66 12.733 6.707 -0.697 1.00 0.01 N ATOM 1040 CA PRO B 66 13.173 5.825 0.383 1.00 0.01 C ATOM 1041 C PRO B 66 12.529 4.444 0.310 1.00 0.01 C ATOM 1042 O PRO B 66 11.675 4.191 -0.540 1.00 0.00 O ATOM 1043 CB PRO B 66 12.713 6.564 1.635 1.00 0.01 C ATOM 1044 CG PRO B 66 11.492 7.306 1.209 1.00 0.00 C ATOM 1045 CD PRO B 66 11.667 7.626 -0.256 1.00 0.01 C ATOM 0 HA PRO B 66 14.246 5.634 0.347 1.00 0.01 H new ATOM 0 HB2 PRO B 66 12.492 5.870 2.446 1.00 0.01 H new ATOM 0 HB3 PRO B 66 13.483 7.244 1.999 1.00 0.01 H new ATOM 0 HG2 PRO B 66 10.598 6.704 1.369 1.00 0.00 H new ATOM 0 HG3 PRO B 66 11.371 8.219 1.793 1.00 0.00 H new ATOM 0 HD2 PRO B 66 10.744 7.464 -0.813 1.00 0.01 H new ATOM 0 HD3 PRO B 66 11.951 8.668 -0.406 1.00 0.01 H new ATOM 1053 N PRO B 67 12.936 3.530 1.205 1.00 0.01 N ATOM 1054 CA PRO B 67 12.407 2.171 1.246 1.00 0.01 C ATOM 1055 C PRO B 67 11.156 2.058 2.116 1.00 0.01 C ATOM 1056 O PRO B 67 11.056 2.708 3.157 1.00 0.00 O ATOM 1057 CB PRO B 67 13.564 1.391 1.866 1.00 0.47 C ATOM 1058 CG PRO B 67 14.223 2.362 2.792 1.00 0.66 C ATOM 1059 CD PRO B 67 13.954 3.746 2.248 1.00 0.42 C ATOM 0 HA PRO B 67 12.095 1.812 0.265 1.00 0.01 H new ATOM 0 HB2 PRO B 67 13.207 0.512 2.403 1.00 0.47 H new ATOM 0 HB3 PRO B 67 14.258 1.038 1.103 1.00 0.47 H new ATOM 0 HG2 PRO B 67 13.826 2.261 3.802 1.00 0.66 H new ATOM 0 HG3 PRO B 67 15.295 2.172 2.850 1.00 0.66 H new ATOM 0 HD2 PRO B 67 13.591 4.417 3.027 1.00 0.42 H new ATOM 0 HD3 PRO B 67 14.858 4.195 1.836 1.00 0.42 H new ATOM 1067 N PRO B 68 10.182 1.229 1.703 1.00 0.01 N ATOM 1068 CA PRO B 68 8.939 1.037 2.453 1.00 0.00 C ATOM 1069 C PRO B 68 9.140 0.169 3.692 1.00 0.01 C ATOM 1070 O PRO B 68 10.103 -0.593 3.774 1.00 0.00 O ATOM 1071 CB PRO B 68 8.031 0.330 1.448 1.00 0.01 C ATOM 1072 CG PRO B 68 8.966 -0.424 0.568 1.00 0.01 C ATOM 1073 CD PRO B 68 10.215 0.411 0.472 1.00 0.00 C ATOM 0 HA PRO B 68 8.535 1.978 2.827 1.00 0.00 H new ATOM 0 HB2 PRO B 68 7.330 -0.339 1.948 1.00 0.01 H new ATOM 0 HB3 PRO B 68 7.438 1.045 0.877 1.00 0.01 H new ATOM 0 HG2 PRO B 68 9.186 -1.407 0.984 1.00 0.01 H new ATOM 0 HG3 PRO B 68 8.529 -0.586 -0.417 1.00 0.01 H new ATOM 0 HD2 PRO B 68 11.110 -0.210 0.427 1.00 0.00 H new ATOM 0 HD3 PRO B 68 10.213 1.033 -0.423 1.00 0.00 H new ATOM 1081 N PRO B 69 8.230 0.271 4.677 1.00 0.01 N ATOM 1082 CA PRO B 69 8.318 -0.514 5.911 1.00 0.01 C ATOM 1083 C PRO B 69 8.142 -2.007 5.662 1.00 0.01 C ATOM 1084 O PRO B 69 7.919 -2.437 4.531 1.00 0.01 O ATOM 1085 CB PRO B 69 7.167 0.020 6.769 1.00 0.01 C ATOM 1086 CG PRO B 69 6.216 0.636 5.804 1.00 0.00 C ATOM 1087 CD PRO B 69 7.049 1.153 4.662 1.00 0.01 C ATOM 0 HA PRO B 69 9.296 -0.413 6.381 1.00 0.01 H new ATOM 0 HB2 PRO B 69 6.691 -0.782 7.333 1.00 0.01 H new ATOM 0 HB3 PRO B 69 7.523 0.752 7.494 1.00 0.01 H new ATOM 0 HG2 PRO B 69 5.488 -0.096 5.454 1.00 0.00 H new ATOM 0 HG3 PRO B 69 5.655 1.444 6.273 1.00 0.00 H new ATOM 0 HD2 PRO B 69 6.514 1.093 3.714 1.00 0.01 H new ATOM 0 HD3 PRO B 69 7.325 2.198 4.806 1.00 0.01 H new ATOM 1095 N GLY B 70 8.242 -2.792 6.729 1.00 0.44 N ATOM 1096 CA GLY B 70 8.089 -4.228 6.611 1.00 0.65 C ATOM 1097 C GLY B 70 9.320 -4.900 6.037 1.00 0.50 C ATOM 1098 O GLY B 70 10.071 -5.551 6.759 1.00 0.56 O ATOM 0 H GLY B 70 8.427 -2.458 7.675 1.00 0.44 H new ATOM 0 HA2 GLY B 70 7.875 -4.649 7.593 1.00 0.65 H new ATOM 0 HA3 GLY B 70 7.231 -4.447 5.976 1.00 0.65 H new ATOM 1102 N HIS B 71 9.522 -4.740 4.730 1.00 0.43 N ATOM 1103 CA HIS B 71 10.669 -5.329 4.039 1.00 0.26 C ATOM 1104 C HIS B 71 10.897 -6.778 4.453 1.00 1.40 C ATOM 1105 O HIS B 71 10.046 -7.394 5.096 1.00 2.07 O ATOM 1106 CB HIS B 71 11.931 -4.491 4.295 1.00 1.36 C ATOM 1107 CG HIS B 71 12.558 -4.662 5.649 1.00 2.14 C ATOM 1108 ND1 HIS B 71 13.175 -3.622 6.290 1.00 3.29 N ATOM 1109 CD2 HIS B 71 12.688 -5.737 6.471 1.00 2.59 C ATOM 1110 CE1 HIS B 71 13.658 -4.035 7.448 1.00 4.17 C ATOM 1111 NE2 HIS B 71 13.374 -5.315 7.582 1.00 3.81 N ATOM 0 H HIS B 71 8.901 -4.203 4.124 1.00 0.43 H new ATOM 0 HA HIS B 71 10.450 -5.326 2.971 1.00 0.26 H new ATOM 0 HB2 HIS B 71 12.672 -4.742 3.536 1.00 1.36 H new ATOM 0 HB3 HIS B 71 11.681 -3.439 4.160 1.00 1.36 H new ATOM 0 HD2 HIS B 71 12.321 -6.735 6.285 1.00 2.59 H new ATOM 0 HE1 HIS B 71 14.194 -3.428 8.163 1.00 4.17 H new ATOM 0 HE2 HIS B 71 13.624 -5.897 8.381 1.00 3.81 H new ATOM 1120 N ARG B 72 12.060 -7.310 4.091 1.00 2.21 N ATOM 1121 CA ARG B 72 12.415 -8.681 4.433 1.00 3.46 C ATOM 1122 C ARG B 72 13.748 -9.070 3.799 1.00 4.52 C ATOM 1123 O ARG B 72 13.986 -8.807 2.621 1.00 5.58 O ATOM 1124 CB ARG B 72 11.321 -9.653 3.983 1.00 3.97 C ATOM 1125 CG ARG B 72 10.860 -9.431 2.551 1.00 4.43 C ATOM 1126 CD ARG B 72 9.469 -8.820 2.499 1.00 5.21 C ATOM 1127 NE ARG B 72 8.711 -9.284 1.340 1.00 5.65 N ATOM 1128 CZ ARG B 72 8.242 -10.522 1.207 1.00 6.19 C ATOM 1129 NH1 ARG B 72 8.455 -11.424 2.158 1.00 6.95 N ATOM 1130 NH2 ARG B 72 7.559 -10.861 0.122 1.00 6.14 N ATOM 0 H ARG B 72 12.773 -6.811 3.560 1.00 2.21 H new ATOM 0 HA ARG B 72 12.513 -8.740 5.517 1.00 3.46 H new ATOM 0 HB2 ARG B 72 11.690 -10.674 4.083 1.00 3.97 H new ATOM 0 HB3 ARG B 72 10.465 -9.557 4.650 1.00 3.97 H new ATOM 0 HG2 ARG B 72 11.565 -8.776 2.039 1.00 4.43 H new ATOM 0 HG3 ARG B 72 10.861 -10.381 2.016 1.00 4.43 H new ATOM 0 HD2 ARG B 72 8.928 -9.072 3.411 1.00 5.21 H new ATOM 0 HD3 ARG B 72 9.551 -7.734 2.467 1.00 5.21 H new ATOM 0 HE ARG B 72 8.530 -8.619 0.588 1.00 5.65 H new ATOM 0 HH11 ARG B 72 8.980 -11.169 2.995 1.00 6.95 H new ATOM 0 HH12 ARG B 72 8.094 -12.372 2.052 1.00 6.95 H new ATOM 0 HH21 ARG B 72 7.393 -10.172 -0.612 1.00 6.14 H new ATOM 0 HH22 ARG B 72 7.200 -11.810 0.021 1.00 6.14 H new ATOM 1144 N VAL B 73 14.611 -9.698 4.591 1.00 4.34 N ATOM 1145 CA VAL B 73 15.920 -10.122 4.108 1.00 5.27 C ATOM 1146 C VAL B 73 16.448 -11.302 4.917 1.00 4.88 C ATOM 1147 O VAL B 73 16.453 -12.430 4.381 1.00 4.84 O ATOM 1148 CB VAL B 73 16.944 -8.973 4.172 1.00 4.97 C ATOM 1149 CG1 VAL B 73 16.689 -7.967 3.060 1.00 5.74 C ATOM 1150 CG2 VAL B 73 16.903 -8.297 5.533 1.00 4.69 C ATOM 1151 OXT VAL B 73 16.853 -11.088 6.078 1.00 4.84 O ATOM 0 H VAL B 73 14.428 -9.924 5.569 1.00 4.34 H new ATOM 0 HA VAL B 73 15.790 -10.424 3.069 1.00 5.27 H new ATOM 0 HB VAL B 73 17.941 -9.391 4.030 1.00 4.97 H new ATOM 0 HG11 VAL B 73 17.422 -7.163 3.122 1.00 5.74 H new ATOM 0 HG12 VAL B 73 16.775 -8.463 2.093 1.00 5.74 H new ATOM 0 HG13 VAL B 73 15.686 -7.553 3.167 1.00 5.74 H new ATOM 0 HG21 VAL B 73 17.633 -7.488 5.560 1.00 4.69 H new ATOM 0 HG22 VAL B 73 15.906 -7.892 5.708 1.00 4.69 H new ATOM 0 HG23 VAL B 73 17.140 -9.025 6.308 1.00 4.69 H new TER 1161 VAL B 73