USER MOD reduce.3.24.130724 H: found=0, std=0, add=1114, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1109 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 120 SER OG : rot -125:sc= 0.0926 USER MOD Set 1.2: A 124 GLN : amide:sc= -5.22! C(o=-5.1!,f=-7.3!) USER MOD Set 2.1: A 105 HIS : no HE2:sc= 0.893 K(o=0.72,f=-4!) USER MOD Set 2.2: A 116 LYS NZ :NH3+ -148:sc= -0.173 (180deg=-1.14) USER MOD Set 3.1: A 70 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 13 MET CE :methyl -178:sc= 0 (180deg=-0.00555) USER MOD Set 4.2: A 32 THR OG1 : rot 180:sc= -0.02 USER MOD Set 5.1: A 6 SER OG : rot -142:sc= 0.359 USER MOD Set 5.2: A 47 SER OG : rot -98:sc= 0.536 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 146:sc= -2.36! (180deg=-3.64!) USER MOD Single : A 15 SER OG : rot -97:sc= 0.356 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.27 X(o=-1.3,f=-1) USER MOD Single : A 20 ASN : amide:sc= -0.0703 X(o=-0.07,f=-0.52) USER MOD Single : A 24 SER OG : rot 68:sc= -0.0884 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 52:sc= 0.23 USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 35 SER OG : rot -40:sc= 0.104 USER MOD Single : A 36 ASN : amide:sc= -8.84! C(o=-8.8!,f=-11!) USER MOD Single : A 39 LYS NZ :NH3+ -151:sc= 0.478 (180deg=-0.72) USER MOD Single : A 41 ASN : amide:sc= -5.96! C(o=-6!,f=-17!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 37:sc= 0.307 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -2.39 X(o=-2.4,f=-2) USER MOD Single : A 63 GLN : amide:sc= -3.42! C(o=-3.4!,f=-4.6!) USER MOD Single : A 66 SER OG : rot 82:sc= -1.3 USER MOD Single : A 68 MET CE :methyl 175:sc= -0.284 (180deg=-0.339) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0256) USER MOD Single : A 77 SER OG : rot -160:sc= 0.00897 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 106 HIS : no HD1:sc= -4.02! K(o=-4!,f=-7) USER MOD Single : A 109 ASN : amide:sc= -0.956 K(o=-0.96,f=-8.6!) USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 ASN : amide:sc= -0.121 K(o=-0.12,f=-3.1!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -2.53 K(o=-2.5,f=-3.6!) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 133 GLN : amide:sc= -3.03! X(o=-3!,f=-2.8) USER MOD Single : A 136 GLN : amide:sc= -2.18 K(o=-2.2,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.510 -8.083 16.200 1.00 0.00 N ATOM 2 CA GLY A 1 -24.954 -9.387 16.514 1.00 0.00 C ATOM 3 C GLY A 1 -23.748 -9.723 15.661 1.00 0.00 C ATOM 4 O GLY A 1 -22.627 -9.322 15.973 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.332 -7.900 16.810 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.790 -7.350 16.361 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.807 -8.063 15.204 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.670 -9.414 17.566 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.720 -10.149 16.371 1.00 0.00 H new ATOM 8 N SER A 2 -23.976 -10.464 14.581 1.00 0.00 N ATOM 9 CA SER A 2 -22.898 -10.860 13.683 1.00 0.00 C ATOM 10 C SER A 2 -23.076 -10.226 12.307 1.00 0.00 C ATOM 11 O SER A 2 -24.190 -9.886 11.908 1.00 0.00 O ATOM 12 CB SER A 2 -22.848 -12.384 13.552 1.00 0.00 C ATOM 13 OG SER A 2 -24.110 -12.905 13.173 1.00 0.00 O ATOM 0 H SER A 2 -24.898 -10.802 14.307 1.00 0.00 H new ATOM 0 HA SER A 2 -21.958 -10.508 14.107 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.098 -12.664 12.812 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.539 -12.824 14.500 1.00 0.00 H new ATOM 0 HG SER A 2 -24.051 -13.880 13.094 1.00 0.00 H new ATOM 19 N SER A 3 -21.970 -10.069 11.587 1.00 0.00 N ATOM 20 CA SER A 3 -22.002 -9.471 10.257 1.00 0.00 C ATOM 21 C SER A 3 -21.637 -10.500 9.191 1.00 0.00 C ATOM 22 O SER A 3 -22.442 -10.816 8.316 1.00 0.00 O ATOM 23 CB SER A 3 -21.042 -8.283 10.185 1.00 0.00 C ATOM 24 OG SER A 3 -21.351 -7.317 11.175 1.00 0.00 O ATOM 0 H SER A 3 -21.041 -10.347 11.902 1.00 0.00 H new ATOM 0 HA SER A 3 -23.016 -9.120 10.067 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.018 -8.631 10.319 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.097 -7.826 9.197 1.00 0.00 H new ATOM 0 HG SER A 3 -20.722 -6.568 11.109 1.00 0.00 H new ATOM 30 N GLY A 4 -20.416 -11.019 9.272 1.00 0.00 N ATOM 31 CA GLY A 4 -19.964 -12.006 8.308 1.00 0.00 C ATOM 32 C GLY A 4 -18.680 -11.594 7.615 1.00 0.00 C ATOM 33 O GLY A 4 -17.593 -11.724 8.178 1.00 0.00 O ATOM 0 H GLY A 4 -19.732 -10.774 9.988 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.811 -12.959 8.814 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.742 -12.163 7.561 1.00 0.00 H new ATOM 37 N SER A 5 -18.806 -11.096 6.389 1.00 0.00 N ATOM 38 CA SER A 5 -17.646 -10.669 5.615 1.00 0.00 C ATOM 39 C SER A 5 -17.215 -9.261 6.014 1.00 0.00 C ATOM 40 O SER A 5 -17.963 -8.533 6.667 1.00 0.00 O ATOM 41 CB SER A 5 -17.960 -10.714 4.118 1.00 0.00 C ATOM 42 OG SER A 5 -17.816 -12.028 3.607 1.00 0.00 O ATOM 0 H SER A 5 -19.699 -10.978 5.911 1.00 0.00 H new ATOM 0 HA SER A 5 -16.826 -11.355 5.827 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.977 -10.363 3.946 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.294 -10.037 3.583 1.00 0.00 H new ATOM 0 HG SER A 5 -18.024 -12.031 2.649 1.00 0.00 H new ATOM 48 N SER A 6 -16.005 -8.884 5.615 1.00 0.00 N ATOM 49 CA SER A 6 -15.472 -7.564 5.934 1.00 0.00 C ATOM 50 C SER A 6 -14.971 -6.862 4.675 1.00 0.00 C ATOM 51 O SER A 6 -15.194 -5.667 4.486 1.00 0.00 O ATOM 52 CB SER A 6 -14.336 -7.681 6.952 1.00 0.00 C ATOM 53 OG SER A 6 -13.281 -8.482 6.449 1.00 0.00 O ATOM 0 H SER A 6 -15.375 -9.473 5.071 1.00 0.00 H new ATOM 0 HA SER A 6 -16.277 -6.969 6.366 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.958 -6.688 7.196 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.716 -8.114 7.877 1.00 0.00 H new ATOM 0 HG SER A 6 -12.908 -9.025 7.175 1.00 0.00 H new ATOM 59 N GLY A 7 -14.293 -7.616 3.815 1.00 0.00 N ATOM 60 CA GLY A 7 -13.770 -7.051 2.585 1.00 0.00 C ATOM 61 C GLY A 7 -12.276 -6.806 2.648 1.00 0.00 C ATOM 62 O GLY A 7 -11.629 -7.125 3.646 1.00 0.00 O ATOM 0 H GLY A 7 -14.097 -8.608 3.948 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.990 -7.725 1.757 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.280 -6.111 2.375 1.00 0.00 H new ATOM 66 N VAL A 8 -11.724 -6.239 1.579 1.00 0.00 N ATOM 67 CA VAL A 8 -10.296 -5.952 1.517 1.00 0.00 C ATOM 68 C VAL A 8 -9.959 -4.674 2.278 1.00 0.00 C ATOM 69 O VAL A 8 -10.769 -3.750 2.350 1.00 0.00 O ATOM 70 CB VAL A 8 -9.815 -5.811 0.061 1.00 0.00 C ATOM 71 CG1 VAL A 8 -10.769 -4.933 -0.734 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.401 -5.252 0.019 1.00 0.00 C ATOM 0 H VAL A 8 -12.245 -5.970 0.744 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.783 -6.794 1.981 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.803 -6.800 -0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.413 -4.845 -1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.763 -5.381 -0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.816 -3.943 -0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.077 -5.159 -1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.383 -4.271 0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.728 -5.925 0.550 1.00 0.00 H new ATOM 82 N ARG A 9 -8.757 -4.629 2.844 1.00 0.00 N ATOM 83 CA ARG A 9 -8.312 -3.465 3.600 1.00 0.00 C ATOM 84 C ARG A 9 -7.366 -2.605 2.768 1.00 0.00 C ATOM 85 O ARG A 9 -6.978 -2.983 1.662 1.00 0.00 O ATOM 86 CB ARG A 9 -7.617 -3.904 4.891 1.00 0.00 C ATOM 87 CG ARG A 9 -7.898 -2.993 6.074 1.00 0.00 C ATOM 88 CD ARG A 9 -9.111 -3.462 6.863 1.00 0.00 C ATOM 89 NE ARG A 9 -8.750 -4.418 7.905 1.00 0.00 N ATOM 90 CZ ARG A 9 -8.281 -4.065 9.097 1.00 0.00 C ATOM 91 NH1 ARG A 9 -8.118 -2.783 9.395 1.00 0.00 N ATOM 92 NH2 ARG A 9 -7.974 -4.994 9.993 1.00 0.00 N ATOM 0 H ARG A 9 -8.074 -5.385 2.793 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.190 -2.870 3.852 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.936 -4.916 5.139 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.541 -3.942 4.720 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.026 -2.964 6.728 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.064 -1.976 5.720 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.604 -2.602 7.316 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.830 -3.920 6.184 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.864 -5.412 7.707 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.353 -2.066 8.709 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.758 -2.514 10.311 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.098 -5.981 9.767 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.614 -4.721 10.908 1.00 0.00 H new ATOM 106 N TYR A 10 -7.000 -1.447 3.306 1.00 0.00 N ATOM 107 CA TYR A 10 -6.103 -0.531 2.611 1.00 0.00 C ATOM 108 C TYR A 10 -5.087 0.073 3.577 1.00 0.00 C ATOM 109 O TYR A 10 -5.436 0.494 4.680 1.00 0.00 O ATOM 110 CB TYR A 10 -6.901 0.582 1.931 1.00 0.00 C ATOM 111 CG TYR A 10 -7.933 0.074 0.950 1.00 0.00 C ATOM 112 CD1 TYR A 10 -9.122 -0.493 1.392 1.00 0.00 C ATOM 113 CD2 TYR A 10 -7.719 0.161 -0.421 1.00 0.00 C ATOM 114 CE1 TYR A 10 -10.067 -0.959 0.499 1.00 0.00 C ATOM 115 CE2 TYR A 10 -8.659 -0.301 -1.321 1.00 0.00 C ATOM 116 CZ TYR A 10 -9.831 -0.861 -0.857 1.00 0.00 C ATOM 117 OH TYR A 10 -10.771 -1.323 -1.750 1.00 0.00 O ATOM 0 H TYR A 10 -7.310 -1.120 4.221 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.564 -1.097 1.851 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -7.400 1.178 2.695 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -6.211 1.245 1.409 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.311 -0.571 2.453 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.802 0.597 -0.788 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -10.986 -1.398 0.860 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.477 -0.224 -2.383 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.452 -1.179 -2.665 1.00 0.00 H new ATOM 127 N PHE A 11 -3.829 0.112 3.153 1.00 0.00 N ATOM 128 CA PHE A 11 -2.761 0.665 3.978 1.00 0.00 C ATOM 129 C PHE A 11 -1.759 1.437 3.126 1.00 0.00 C ATOM 130 O PHE A 11 -1.342 0.973 2.064 1.00 0.00 O ATOM 131 CB PHE A 11 -2.045 -0.454 4.739 1.00 0.00 C ATOM 132 CG PHE A 11 -2.970 -1.309 5.558 1.00 0.00 C ATOM 133 CD1 PHE A 11 -3.413 -0.881 6.799 1.00 0.00 C ATOM 134 CD2 PHE A 11 -3.395 -2.540 5.087 1.00 0.00 C ATOM 135 CE1 PHE A 11 -4.264 -1.665 7.555 1.00 0.00 C ATOM 136 CE2 PHE A 11 -4.246 -3.328 5.838 1.00 0.00 C ATOM 137 CZ PHE A 11 -4.681 -2.891 7.074 1.00 0.00 C ATOM 0 H PHE A 11 -3.523 -0.233 2.243 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.209 1.354 4.694 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.515 -1.086 4.026 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.294 -0.014 5.395 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.090 0.076 7.180 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.058 -2.888 4.122 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.603 -1.320 8.521 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.571 -4.286 5.459 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.345 -3.506 7.663 1.00 0.00 H new ATOM 147 N ILE A 12 -1.376 2.619 3.598 1.00 0.00 N ATOM 148 CA ILE A 12 -0.423 3.456 2.880 1.00 0.00 C ATOM 149 C ILE A 12 1.007 3.160 3.318 1.00 0.00 C ATOM 150 O ILE A 12 1.405 3.485 4.436 1.00 0.00 O ATOM 151 CB ILE A 12 -0.714 4.953 3.096 1.00 0.00 C ATOM 152 CG1 ILE A 12 -2.055 5.331 2.462 1.00 0.00 C ATOM 153 CG2 ILE A 12 0.409 5.800 2.517 1.00 0.00 C ATOM 154 CD1 ILE A 12 -2.026 5.342 0.950 1.00 0.00 C ATOM 0 H ILE A 12 -1.711 3.018 4.475 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.533 3.222 1.821 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.773 5.146 4.167 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.817 4.628 2.798 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.351 6.317 2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.189 6.855 2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.347 5.546 3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.497 5.606 1.448 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.009 5.618 0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.287 6.066 0.606 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.761 4.350 0.584 1.00 0.00 H new ATOM 166 N MET A 13 1.776 2.541 2.428 1.00 0.00 N ATOM 167 CA MET A 13 3.164 2.204 2.721 1.00 0.00 C ATOM 168 C MET A 13 4.118 3.165 2.019 1.00 0.00 C ATOM 169 O MET A 13 4.173 3.214 0.790 1.00 0.00 O ATOM 170 CB MET A 13 3.463 0.766 2.292 1.00 0.00 C ATOM 171 CG MET A 13 2.297 -0.186 2.500 1.00 0.00 C ATOM 172 SD MET A 13 1.492 0.041 4.098 1.00 0.00 S ATOM 173 CE MET A 13 2.794 -0.484 5.211 1.00 0.00 C ATOM 0 H MET A 13 1.461 2.263 1.498 1.00 0.00 H new ATOM 0 HA MET A 13 3.314 2.294 3.797 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.742 0.761 1.238 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.324 0.400 2.852 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.566 -0.038 1.705 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.653 -1.213 2.419 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.436 -0.435 6.239 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.082 -1.509 4.976 1.00 0.00 H new ATOM 0 HE3 MET A 13 3.657 0.171 5.096 1.00 0.00 H new ATOM 183 N LYS A 14 4.867 3.929 2.806 1.00 0.00 N ATOM 184 CA LYS A 14 5.819 4.889 2.261 1.00 0.00 C ATOM 185 C LYS A 14 7.194 4.252 2.086 1.00 0.00 C ATOM 186 O LYS A 14 7.531 3.284 2.767 1.00 0.00 O ATOM 187 CB LYS A 14 5.924 6.111 3.176 1.00 0.00 C ATOM 188 CG LYS A 14 4.579 6.714 3.542 1.00 0.00 C ATOM 189 CD LYS A 14 3.879 7.296 2.326 1.00 0.00 C ATOM 190 CE LYS A 14 4.397 8.688 1.997 1.00 0.00 C ATOM 191 NZ LYS A 14 5.769 8.647 1.420 1.00 0.00 N ATOM 0 H LYS A 14 4.833 3.902 3.825 1.00 0.00 H new ATOM 0 HA LYS A 14 5.457 5.206 1.283 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.446 5.827 4.090 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.532 6.871 2.685 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.948 5.949 3.995 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.721 7.494 4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.029 6.639 1.469 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.805 7.340 2.509 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.720 9.170 1.291 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.401 9.297 2.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.874 9.408 0.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.469 8.776 2.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.924 7.728 0.959 1.00 0.00 H new ATOM 205 N SER A 15 7.984 4.803 1.170 1.00 0.00 N ATOM 206 CA SER A 15 9.322 4.287 0.904 1.00 0.00 C ATOM 207 C SER A 15 10.344 5.419 0.867 1.00 0.00 C ATOM 208 O SER A 15 10.042 6.528 0.425 1.00 0.00 O ATOM 209 CB SER A 15 9.343 3.522 -0.421 1.00 0.00 C ATOM 210 OG SER A 15 8.280 2.587 -0.487 1.00 0.00 O ATOM 0 H SER A 15 7.721 5.607 0.600 1.00 0.00 H new ATOM 0 HA SER A 15 9.589 3.606 1.712 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.266 4.224 -1.251 1.00 0.00 H new ATOM 0 HB3 SER A 15 10.295 3.003 -0.530 1.00 0.00 H new ATOM 0 HG SER A 15 8.607 1.701 -0.225 1.00 0.00 H new ATOM 216 N SER A 16 11.554 5.131 1.334 1.00 0.00 N ATOM 217 CA SER A 16 12.621 6.125 1.358 1.00 0.00 C ATOM 218 C SER A 16 13.015 6.533 -0.058 1.00 0.00 C ATOM 219 O SER A 16 13.136 7.719 -0.363 1.00 0.00 O ATOM 220 CB SER A 16 13.841 5.577 2.102 1.00 0.00 C ATOM 221 OG SER A 16 13.639 5.606 3.504 1.00 0.00 O ATOM 0 H SER A 16 11.820 4.217 1.701 1.00 0.00 H new ATOM 0 HA SER A 16 12.251 7.007 1.882 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.037 4.554 1.781 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.722 6.166 1.846 1.00 0.00 H new ATOM 0 HG SER A 16 14.432 5.249 3.956 1.00 0.00 H new ATOM 227 N ASN A 17 13.215 5.541 -0.919 1.00 0.00 N ATOM 228 CA ASN A 17 13.596 5.795 -2.304 1.00 0.00 C ATOM 229 C ASN A 17 12.870 4.846 -3.252 1.00 0.00 C ATOM 230 O ASN A 17 12.204 3.906 -2.816 1.00 0.00 O ATOM 231 CB ASN A 17 15.109 5.645 -2.474 1.00 0.00 C ATOM 232 CG ASN A 17 15.617 6.303 -3.742 1.00 0.00 C ATOM 233 OD1 ASN A 17 15.514 7.519 -3.907 1.00 0.00 O ATOM 234 ND2 ASN A 17 16.169 5.501 -4.645 1.00 0.00 N ATOM 0 H ASN A 17 13.120 4.553 -0.682 1.00 0.00 H new ATOM 0 HA ASN A 17 13.308 6.817 -2.552 1.00 0.00 H new ATOM 0 HB2 ASN A 17 15.614 6.084 -1.613 1.00 0.00 H new ATOM 0 HB3 ASN A 17 15.367 4.586 -2.489 1.00 0.00 H new ATOM 0 HD21 ASN A 17 16.529 5.887 -5.518 1.00 0.00 H new ATOM 0 HD22 ASN A 17 16.233 4.499 -4.466 1.00 0.00 H new ATOM 241 N LEU A 18 13.003 5.098 -4.549 1.00 0.00 N ATOM 242 CA LEU A 18 12.360 4.265 -5.560 1.00 0.00 C ATOM 243 C LEU A 18 13.023 2.893 -5.638 1.00 0.00 C ATOM 244 O LEU A 18 12.347 1.864 -5.610 1.00 0.00 O ATOM 245 CB LEU A 18 12.419 4.951 -6.926 1.00 0.00 C ATOM 246 CG LEU A 18 11.429 4.443 -7.975 1.00 0.00 C ATOM 247 CD1 LEU A 18 11.040 3.001 -7.688 1.00 0.00 C ATOM 248 CD2 LEU A 18 10.195 5.332 -8.019 1.00 0.00 C ATOM 0 H LEU A 18 13.550 5.872 -4.926 1.00 0.00 H new ATOM 0 HA LEU A 18 11.317 4.128 -5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.250 6.018 -6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 18 13.428 4.839 -7.323 1.00 0.00 H new ATOM 0 HG LEU A 18 11.913 4.480 -8.951 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.335 2.657 -8.445 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.931 2.373 -7.709 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.575 2.938 -6.704 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.502 4.955 -8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.709 5.328 -7.043 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.489 6.350 -8.274 1.00 0.00 H new ATOM 260 N ARG A 19 14.348 2.887 -5.732 1.00 0.00 N ATOM 261 CA ARG A 19 15.102 1.642 -5.812 1.00 0.00 C ATOM 262 C ARG A 19 14.521 0.592 -4.870 1.00 0.00 C ATOM 263 O ARG A 19 14.058 -0.461 -5.307 1.00 0.00 O ATOM 264 CB ARG A 19 16.573 1.888 -5.472 1.00 0.00 C ATOM 265 CG ARG A 19 17.368 0.613 -5.244 1.00 0.00 C ATOM 266 CD ARG A 19 17.209 -0.357 -6.404 1.00 0.00 C ATOM 267 NE ARG A 19 18.378 -1.219 -6.561 1.00 0.00 N ATOM 268 CZ ARG A 19 19.524 -0.813 -7.095 1.00 0.00 C ATOM 269 NH1 ARG A 19 19.655 0.436 -7.521 1.00 0.00 N ATOM 270 NH2 ARG A 19 20.543 -1.657 -7.203 1.00 0.00 N ATOM 0 H ARG A 19 14.922 3.730 -5.755 1.00 0.00 H new ATOM 0 HA ARG A 19 15.029 1.269 -6.834 1.00 0.00 H new ATOM 0 HB2 ARG A 19 17.034 2.454 -6.282 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.631 2.507 -4.577 1.00 0.00 H new ATOM 0 HG2 ARG A 19 18.422 0.858 -5.115 1.00 0.00 H new ATOM 0 HG3 ARG A 19 17.037 0.136 -4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 19 16.324 -0.972 -6.243 1.00 0.00 H new ATOM 0 HD3 ARG A 19 17.045 0.203 -7.325 1.00 0.00 H new ATOM 0 HE ARG A 19 18.310 -2.186 -6.243 1.00 0.00 H new ATOM 0 HH11 ARG A 19 18.874 1.087 -7.439 1.00 0.00 H new ATOM 0 HH12 ARG A 19 20.536 0.745 -7.931 1.00 0.00 H new ATOM 0 HH21 ARG A 19 20.446 -2.618 -6.876 1.00 0.00 H new ATOM 0 HH22 ARG A 19 21.423 -1.344 -7.613 1.00 0.00 H new ATOM 284 N ASN A 20 14.548 0.888 -3.574 1.00 0.00 N ATOM 285 CA ASN A 20 14.024 -0.031 -2.570 1.00 0.00 C ATOM 286 C ASN A 20 12.734 -0.686 -3.052 1.00 0.00 C ATOM 287 O ASN A 20 12.474 -1.856 -2.766 1.00 0.00 O ATOM 288 CB ASN A 20 13.773 0.709 -1.254 1.00 0.00 C ATOM 289 CG ASN A 20 15.031 1.353 -0.703 1.00 0.00 C ATOM 290 OD1 ASN A 20 16.131 0.823 -0.857 1.00 0.00 O ATOM 291 ND2 ASN A 20 14.873 2.503 -0.058 1.00 0.00 N ATOM 0 H ASN A 20 14.927 1.756 -3.195 1.00 0.00 H new ATOM 0 HA ASN A 20 14.767 -0.812 -2.405 1.00 0.00 H new ATOM 0 HB2 ASN A 20 13.014 1.476 -1.411 1.00 0.00 H new ATOM 0 HB3 ASN A 20 13.373 0.011 -0.518 1.00 0.00 H new ATOM 0 HD21 ASN A 20 15.683 2.984 0.334 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.942 2.906 0.046 1.00 0.00 H new ATOM 298 N LEU A 21 11.929 0.074 -3.785 1.00 0.00 N ATOM 299 CA LEU A 21 10.665 -0.432 -4.309 1.00 0.00 C ATOM 300 C LEU A 21 10.904 -1.448 -5.421 1.00 0.00 C ATOM 301 O LEU A 21 10.238 -2.481 -5.485 1.00 0.00 O ATOM 302 CB LEU A 21 9.808 0.722 -4.832 1.00 0.00 C ATOM 303 CG LEU A 21 8.314 0.433 -4.983 1.00 0.00 C ATOM 304 CD1 LEU A 21 7.623 0.473 -3.628 1.00 0.00 C ATOM 305 CD2 LEU A 21 7.673 1.428 -5.939 1.00 0.00 C ATOM 0 H LEU A 21 12.129 1.044 -4.030 1.00 0.00 H new ATOM 0 HA LEU A 21 10.136 -0.929 -3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.927 1.571 -4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.199 1.027 -5.803 1.00 0.00 H new ATOM 0 HG LEU A 21 8.197 -0.568 -5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.561 0.265 -3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.064 -0.278 -2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.749 1.461 -3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.610 1.208 -6.035 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.801 2.439 -5.552 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.149 1.352 -6.917 1.00 0.00 H new ATOM 317 N GLU A 22 11.861 -1.148 -6.294 1.00 0.00 N ATOM 318 CA GLU A 22 12.189 -2.037 -7.403 1.00 0.00 C ATOM 319 C GLU A 22 12.234 -3.490 -6.940 1.00 0.00 C ATOM 320 O GLU A 22 11.676 -4.376 -7.588 1.00 0.00 O ATOM 321 CB GLU A 22 13.532 -1.644 -8.020 1.00 0.00 C ATOM 322 CG GLU A 22 13.492 -0.330 -8.781 1.00 0.00 C ATOM 323 CD GLU A 22 12.550 -0.373 -9.969 1.00 0.00 C ATOM 324 OE1 GLU A 22 11.322 -0.300 -9.756 1.00 0.00 O ATOM 325 OE2 GLU A 22 13.042 -0.479 -11.112 1.00 0.00 O ATOM 0 H GLU A 22 12.422 -0.297 -6.255 1.00 0.00 H new ATOM 0 HA GLU A 22 11.409 -1.939 -8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.279 -1.573 -7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.857 -2.435 -8.695 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.183 0.468 -8.105 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.496 -0.084 -9.127 1.00 0.00 H new ATOM 332 N ILE A 23 12.903 -3.726 -5.816 1.00 0.00 N ATOM 333 CA ILE A 23 13.021 -5.071 -5.267 1.00 0.00 C ATOM 334 C ILE A 23 11.664 -5.764 -5.213 1.00 0.00 C ATOM 335 O ILE A 23 11.561 -6.969 -5.443 1.00 0.00 O ATOM 336 CB ILE A 23 13.630 -5.050 -3.852 1.00 0.00 C ATOM 337 CG1 ILE A 23 15.087 -4.585 -3.908 1.00 0.00 C ATOM 338 CG2 ILE A 23 13.531 -6.427 -3.212 1.00 0.00 C ATOM 339 CD1 ILE A 23 15.238 -3.089 -4.073 1.00 0.00 C ATOM 0 H ILE A 23 13.371 -3.004 -5.268 1.00 0.00 H new ATOM 0 HA ILE A 23 13.684 -5.626 -5.931 1.00 0.00 H new ATOM 0 HB ILE A 23 13.067 -4.346 -3.240 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.594 -4.895 -2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 23 15.588 -5.086 -4.736 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.965 -6.396 -2.213 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.484 -6.722 -3.143 1.00 0.00 H new ATOM 0 HG23 ILE A 23 14.073 -7.151 -3.821 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.297 -2.831 -4.105 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.760 -2.775 -5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.766 -2.581 -3.232 1.00 0.00 H new ATOM 351 N SER A 24 10.623 -4.994 -4.910 1.00 0.00 N ATOM 352 CA SER A 24 9.272 -5.535 -4.824 1.00 0.00 C ATOM 353 C SER A 24 8.707 -5.808 -6.215 1.00 0.00 C ATOM 354 O SER A 24 7.822 -6.646 -6.382 1.00 0.00 O ATOM 355 CB SER A 24 8.359 -4.564 -4.072 1.00 0.00 C ATOM 356 OG SER A 24 7.123 -5.176 -3.745 1.00 0.00 O ATOM 0 H SER A 24 10.690 -3.994 -4.720 1.00 0.00 H new ATOM 0 HA SER A 24 9.318 -6.477 -4.278 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.853 -4.226 -3.161 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.180 -3.680 -4.684 1.00 0.00 H new ATOM 0 HG SER A 24 7.273 -5.882 -3.082 1.00 0.00 H new ATOM 362 N GLN A 25 9.226 -5.094 -7.208 1.00 0.00 N ATOM 363 CA GLN A 25 8.773 -5.259 -8.585 1.00 0.00 C ATOM 364 C GLN A 25 9.475 -6.438 -9.251 1.00 0.00 C ATOM 365 O GLN A 25 8.943 -7.042 -10.181 1.00 0.00 O ATOM 366 CB GLN A 25 9.028 -3.980 -9.384 1.00 0.00 C ATOM 367 CG GLN A 25 8.132 -2.821 -8.980 1.00 0.00 C ATOM 368 CD GLN A 25 8.298 -1.613 -9.881 1.00 0.00 C ATOM 369 OE1 GLN A 25 9.054 -1.648 -10.852 1.00 0.00 O ATOM 370 NE2 GLN A 25 7.591 -0.535 -9.562 1.00 0.00 N ATOM 0 H GLN A 25 9.960 -4.396 -7.086 1.00 0.00 H new ATOM 0 HA GLN A 25 7.702 -5.460 -8.568 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.069 -3.684 -9.258 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.882 -4.189 -10.444 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.092 -3.146 -9.002 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.355 -2.536 -7.952 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.977 -0.551 -8.748 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.662 0.309 -10.131 1.00 0.00 H new ATOM 379 N GLN A 26 10.671 -6.758 -8.769 1.00 0.00 N ATOM 380 CA GLN A 26 11.446 -7.864 -9.319 1.00 0.00 C ATOM 381 C GLN A 26 11.303 -9.112 -8.454 1.00 0.00 C ATOM 382 O GLN A 26 10.832 -10.151 -8.917 1.00 0.00 O ATOM 383 CB GLN A 26 12.920 -7.474 -9.434 1.00 0.00 C ATOM 384 CG GLN A 26 13.148 -6.168 -10.177 1.00 0.00 C ATOM 385 CD GLN A 26 13.208 -6.354 -11.680 1.00 0.00 C ATOM 386 OE1 GLN A 26 12.202 -6.208 -12.376 1.00 0.00 O ATOM 387 NE2 GLN A 26 14.390 -6.677 -12.191 1.00 0.00 N ATOM 0 H GLN A 26 11.125 -6.267 -7.999 1.00 0.00 H new ATOM 0 HA GLN A 26 11.059 -8.087 -10.313 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.345 -7.392 -8.433 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.459 -8.272 -9.945 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.346 -5.471 -9.933 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.079 -5.717 -9.833 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.198 -6.788 -11.578 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.491 -6.814 -13.197 1.00 0.00 H new ATOM 396 N LYS A 27 11.713 -9.003 -7.195 1.00 0.00 N ATOM 397 CA LYS A 27 11.631 -10.121 -6.263 1.00 0.00 C ATOM 398 C LYS A 27 10.178 -10.471 -5.960 1.00 0.00 C ATOM 399 O LYS A 27 9.850 -11.626 -5.691 1.00 0.00 O ATOM 400 CB LYS A 27 12.368 -9.785 -4.965 1.00 0.00 C ATOM 401 CG LYS A 27 13.689 -9.070 -5.183 1.00 0.00 C ATOM 402 CD LYS A 27 14.539 -9.774 -6.227 1.00 0.00 C ATOM 403 CE LYS A 27 15.934 -9.173 -6.308 1.00 0.00 C ATOM 404 NZ LYS A 27 16.950 -10.182 -6.716 1.00 0.00 N ATOM 0 H LYS A 27 12.106 -8.150 -6.796 1.00 0.00 H new ATOM 0 HA LYS A 27 12.105 -10.985 -6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.725 -9.162 -4.343 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.550 -10.706 -4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.500 -8.044 -5.498 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.236 -9.019 -4.241 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.612 -10.834 -5.984 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.054 -9.703 -7.201 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.934 -8.349 -7.022 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.206 -8.755 -5.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.887 -9.733 -6.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.969 -10.956 -6.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.705 -10.563 -7.652 1.00 0.00 H new ATOM 418 N GLY A 28 9.309 -9.465 -6.007 1.00 0.00 N ATOM 419 CA GLY A 28 7.901 -9.688 -5.737 1.00 0.00 C ATOM 420 C GLY A 28 7.600 -9.762 -4.253 1.00 0.00 C ATOM 421 O GLY A 28 6.701 -10.490 -3.831 1.00 0.00 O ATOM 0 H GLY A 28 9.556 -8.500 -6.227 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.317 -8.883 -6.183 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.585 -10.615 -6.215 1.00 0.00 H new ATOM 425 N ILE A 29 8.355 -9.009 -3.460 1.00 0.00 N ATOM 426 CA ILE A 29 8.164 -8.994 -2.015 1.00 0.00 C ATOM 427 C ILE A 29 8.356 -7.590 -1.450 1.00 0.00 C ATOM 428 O ILE A 29 8.701 -6.659 -2.178 1.00 0.00 O ATOM 429 CB ILE A 29 9.137 -9.956 -1.308 1.00 0.00 C ATOM 430 CG1 ILE A 29 10.520 -9.888 -1.959 1.00 0.00 C ATOM 431 CG2 ILE A 29 8.597 -11.378 -1.348 1.00 0.00 C ATOM 432 CD1 ILE A 29 11.340 -8.698 -1.512 1.00 0.00 C ATOM 0 H ILE A 29 9.104 -8.402 -3.793 1.00 0.00 H new ATOM 0 HA ILE A 29 7.141 -9.322 -1.829 1.00 0.00 H new ATOM 0 HB ILE A 29 9.232 -9.652 -0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 29 11.066 -10.803 -1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.402 -9.851 -3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.295 -12.047 -0.845 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.631 -11.415 -0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.477 -11.693 -2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 29 12.308 -8.714 -2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 29 10.814 -7.778 -1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 29 11.490 -8.744 -0.433 1.00 0.00 H new ATOM 444 N TRP A 30 8.132 -7.447 -0.149 1.00 0.00 N ATOM 445 CA TRP A 30 8.283 -6.156 0.514 1.00 0.00 C ATOM 446 C TRP A 30 8.438 -6.333 2.021 1.00 0.00 C ATOM 447 O TRP A 30 7.727 -7.125 2.638 1.00 0.00 O ATOM 448 CB TRP A 30 7.078 -5.263 0.215 1.00 0.00 C ATOM 449 CG TRP A 30 7.217 -3.875 0.763 1.00 0.00 C ATOM 450 CD1 TRP A 30 6.482 -3.313 1.768 1.00 0.00 C ATOM 451 CD2 TRP A 30 8.146 -2.873 0.335 1.00 0.00 C ATOM 452 NE1 TRP A 30 6.899 -2.023 1.990 1.00 0.00 N ATOM 453 CE2 TRP A 30 7.919 -1.729 1.125 1.00 0.00 C ATOM 454 CE3 TRP A 30 9.150 -2.833 -0.637 1.00 0.00 C ATOM 455 CZ2 TRP A 30 8.658 -0.560 0.970 1.00 0.00 C ATOM 456 CZ3 TRP A 30 9.882 -1.671 -0.789 1.00 0.00 C ATOM 457 CH2 TRP A 30 9.634 -0.547 0.011 1.00 0.00 C ATOM 0 H TRP A 30 7.846 -8.207 0.467 1.00 0.00 H new ATOM 0 HA TRP A 30 9.184 -5.680 0.128 1.00 0.00 H new ATOM 0 HB2 TRP A 30 6.935 -5.207 -0.864 1.00 0.00 H new ATOM 0 HB3 TRP A 30 6.182 -5.723 0.632 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.690 -3.810 2.308 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.511 -1.387 2.687 1.00 0.00 H new ATOM 0 HE3 TRP A 30 9.350 -3.694 -1.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 8.468 0.307 1.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 10.659 -1.628 -1.538 1.00 0.00 H new ATOM 0 HH2 TRP A 30 10.224 0.346 -0.132 1.00 0.00 H new ATOM 468 N SER A 31 9.372 -5.591 2.606 1.00 0.00 N ATOM 469 CA SER A 31 9.623 -5.669 4.040 1.00 0.00 C ATOM 470 C SER A 31 9.337 -4.331 4.716 1.00 0.00 C ATOM 471 O SER A 31 10.069 -3.358 4.529 1.00 0.00 O ATOM 472 CB SER A 31 11.071 -6.087 4.304 1.00 0.00 C ATOM 473 OG SER A 31 11.300 -6.285 5.689 1.00 0.00 O ATOM 0 H SER A 31 9.968 -4.929 2.109 1.00 0.00 H new ATOM 0 HA SER A 31 8.953 -6.419 4.460 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.293 -7.006 3.761 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.749 -5.322 3.926 1.00 0.00 H new ATOM 0 HG SER A 31 10.624 -6.896 6.048 1.00 0.00 H new ATOM 479 N THR A 32 8.267 -4.289 5.502 1.00 0.00 N ATOM 480 CA THR A 32 7.882 -3.072 6.205 1.00 0.00 C ATOM 481 C THR A 32 8.227 -3.160 7.687 1.00 0.00 C ATOM 482 O THR A 32 8.609 -4.220 8.185 1.00 0.00 O ATOM 483 CB THR A 32 6.374 -2.790 6.057 1.00 0.00 C ATOM 484 OG1 THR A 32 6.092 -1.434 6.419 1.00 0.00 O ATOM 485 CG2 THR A 32 5.560 -3.733 6.929 1.00 0.00 C ATOM 0 H THR A 32 7.651 -5.085 5.668 1.00 0.00 H new ATOM 0 HA THR A 32 8.443 -2.255 5.752 1.00 0.00 H new ATOM 0 HB THR A 32 6.096 -2.953 5.016 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.132 -1.262 6.321 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.499 -3.515 6.808 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.755 -4.763 6.632 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.842 -3.597 7.973 1.00 0.00 H new ATOM 493 N THR A 33 8.091 -2.039 8.390 1.00 0.00 N ATOM 494 CA THR A 33 8.389 -1.990 9.816 1.00 0.00 C ATOM 495 C THR A 33 7.540 -2.991 10.590 1.00 0.00 C ATOM 496 O THR A 33 6.362 -3.199 10.298 1.00 0.00 O ATOM 497 CB THR A 33 8.153 -0.581 10.390 1.00 0.00 C ATOM 498 OG1 THR A 33 8.859 -0.432 11.628 1.00 0.00 O ATOM 499 CG2 THR A 33 6.669 -0.329 10.613 1.00 0.00 C ATOM 0 H THR A 33 7.776 -1.153 7.994 1.00 0.00 H new ATOM 0 HA THR A 33 9.442 -2.249 9.928 1.00 0.00 H new ATOM 0 HB THR A 33 8.525 0.148 9.670 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.705 0.467 11.986 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.527 0.673 11.019 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.139 -0.415 9.664 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.277 -1.064 11.316 1.00 0.00 H new ATOM 507 N PRO A 34 8.149 -3.627 11.602 1.00 0.00 N ATOM 508 CA PRO A 34 7.465 -4.617 12.440 1.00 0.00 C ATOM 509 C PRO A 34 6.412 -3.984 13.343 1.00 0.00 C ATOM 510 O PRO A 34 5.804 -4.660 14.172 1.00 0.00 O ATOM 511 CB PRO A 34 8.598 -5.214 13.279 1.00 0.00 C ATOM 512 CG PRO A 34 9.639 -4.149 13.323 1.00 0.00 C ATOM 513 CD PRO A 34 9.551 -3.429 12.006 1.00 0.00 C ATOM 0 HA PRO A 34 6.924 -5.352 11.844 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.255 -5.473 14.280 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.985 -6.128 12.828 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.463 -3.466 14.154 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.630 -4.578 13.468 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.794 -2.371 12.109 1.00 0.00 H new ATOM 0 HD3 PRO A 34 10.243 -3.845 11.274 1.00 0.00 H new ATOM 521 N SER A 35 6.200 -2.682 13.175 1.00 0.00 N ATOM 522 CA SER A 35 5.222 -1.957 13.977 1.00 0.00 C ATOM 523 C SER A 35 3.910 -1.793 13.216 1.00 0.00 C ATOM 524 O SER A 35 2.904 -1.362 13.777 1.00 0.00 O ATOM 525 CB SER A 35 5.771 -0.585 14.371 1.00 0.00 C ATOM 526 OG SER A 35 4.998 -0.005 15.408 1.00 0.00 O ATOM 0 H SER A 35 6.693 -2.108 12.491 1.00 0.00 H new ATOM 0 HA SER A 35 5.028 -2.536 14.880 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.806 -0.684 14.697 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.772 0.073 13.502 1.00 0.00 H new ATOM 0 HG SER A 35 4.048 -0.180 15.245 1.00 0.00 H new ATOM 532 N ASN A 36 3.929 -2.141 11.933 1.00 0.00 N ATOM 533 CA ASN A 36 2.742 -2.033 11.093 1.00 0.00 C ATOM 534 C ASN A 36 2.501 -3.327 10.322 1.00 0.00 C ATOM 535 O ASN A 36 1.834 -3.329 9.288 1.00 0.00 O ATOM 536 CB ASN A 36 2.887 -0.864 10.117 1.00 0.00 C ATOM 537 CG ASN A 36 3.682 0.286 10.707 1.00 0.00 C ATOM 538 OD1 ASN A 36 3.779 0.428 11.926 1.00 0.00 O ATOM 539 ND2 ASN A 36 4.256 1.113 9.841 1.00 0.00 N ATOM 0 H ASN A 36 4.754 -2.500 11.453 1.00 0.00 H new ATOM 0 HA ASN A 36 1.884 -1.852 11.741 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.377 -1.212 9.208 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.897 -0.509 9.830 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.804 1.904 10.178 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.149 0.957 8.839 1.00 0.00 H new ATOM 546 N GLU A 37 3.049 -4.425 10.833 1.00 0.00 N ATOM 547 CA GLU A 37 2.893 -5.725 10.192 1.00 0.00 C ATOM 548 C GLU A 37 1.670 -6.458 10.736 1.00 0.00 C ATOM 549 O GLU A 37 0.804 -6.890 9.976 1.00 0.00 O ATOM 550 CB GLU A 37 4.147 -6.576 10.403 1.00 0.00 C ATOM 551 CG GLU A 37 5.284 -6.231 9.456 1.00 0.00 C ATOM 552 CD GLU A 37 6.394 -7.264 9.477 1.00 0.00 C ATOM 553 OE1 GLU A 37 6.443 -8.062 10.436 1.00 0.00 O ATOM 554 OE2 GLU A 37 7.213 -7.274 8.534 1.00 0.00 O ATOM 0 H GLU A 37 3.604 -4.440 11.688 1.00 0.00 H new ATOM 0 HA GLU A 37 2.750 -5.560 9.124 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.491 -6.453 11.430 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.888 -7.627 10.278 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.894 -6.143 8.442 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.694 -5.257 9.725 1.00 0.00 H new ATOM 561 N ARG A 38 1.608 -6.592 12.057 1.00 0.00 N ATOM 562 CA ARG A 38 0.493 -7.274 12.703 1.00 0.00 C ATOM 563 C ARG A 38 -0.812 -7.008 11.958 1.00 0.00 C ATOM 564 O ARG A 38 -1.673 -7.883 11.860 1.00 0.00 O ATOM 565 CB ARG A 38 0.364 -6.818 14.158 1.00 0.00 C ATOM 566 CG ARG A 38 0.072 -5.334 14.308 1.00 0.00 C ATOM 567 CD ARG A 38 -1.424 -5.062 14.353 1.00 0.00 C ATOM 568 NE ARG A 38 -1.718 -3.634 14.435 1.00 0.00 N ATOM 569 CZ ARG A 38 -1.683 -2.941 15.567 1.00 0.00 C ATOM 570 NH1 ARG A 38 -1.367 -3.541 16.707 1.00 0.00 N ATOM 571 NH2 ARG A 38 -1.963 -1.644 15.561 1.00 0.00 N ATOM 0 H ARG A 38 2.316 -6.238 12.700 1.00 0.00 H new ATOM 0 HA ARG A 38 0.692 -8.345 12.681 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.432 -7.387 14.639 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.288 -7.053 14.687 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.538 -4.961 15.220 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.517 -4.789 13.476 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.895 -5.479 13.463 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.860 -5.572 15.212 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.964 -3.142 13.576 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.150 -4.538 16.716 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.341 -3.006 17.575 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.205 -1.179 14.686 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.936 -1.112 16.431 1.00 0.00 H new ATOM 585 N LYS A 39 -0.953 -5.795 11.436 1.00 0.00 N ATOM 586 CA LYS A 39 -2.152 -5.413 10.699 1.00 0.00 C ATOM 587 C LYS A 39 -2.203 -6.111 9.344 1.00 0.00 C ATOM 588 O LYS A 39 -3.190 -6.767 9.009 1.00 0.00 O ATOM 589 CB LYS A 39 -2.194 -3.895 10.504 1.00 0.00 C ATOM 590 CG LYS A 39 -0.819 -3.254 10.421 1.00 0.00 C ATOM 591 CD LYS A 39 -0.819 -2.054 9.490 1.00 0.00 C ATOM 592 CE LYS A 39 -1.365 -0.813 10.179 1.00 0.00 C ATOM 593 NZ LYS A 39 -2.847 -0.859 10.312 1.00 0.00 N ATOM 0 H LYS A 39 -0.251 -5.058 11.510 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.020 -5.723 11.281 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.746 -3.669 9.592 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.746 -3.446 11.330 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.501 -2.944 11.416 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.095 -3.989 10.069 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.196 -1.862 9.143 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.420 -2.276 8.609 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.915 -0.718 11.167 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.079 0.073 9.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.226 0.109 10.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.251 -1.391 9.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.101 -1.327 11.205 1.00 0.00 H new ATOM 607 N LEU A 40 -1.134 -5.968 8.569 1.00 0.00 N ATOM 608 CA LEU A 40 -1.056 -6.586 7.250 1.00 0.00 C ATOM 609 C LEU A 40 -1.257 -8.096 7.344 1.00 0.00 C ATOM 610 O LEU A 40 -1.944 -8.693 6.516 1.00 0.00 O ATOM 611 CB LEU A 40 0.294 -6.280 6.599 1.00 0.00 C ATOM 612 CG LEU A 40 0.718 -4.811 6.593 1.00 0.00 C ATOM 613 CD1 LEU A 40 2.119 -4.662 6.021 1.00 0.00 C ATOM 614 CD2 LEU A 40 -0.276 -3.972 5.802 1.00 0.00 C ATOM 0 H LEU A 40 -0.309 -5.429 8.831 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.852 -6.169 6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.062 -6.857 7.114 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.266 -6.634 5.568 1.00 0.00 H new ATOM 0 HG LEU A 40 0.728 -4.451 7.622 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.404 -3.610 6.025 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.823 -5.230 6.629 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.136 -5.039 4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.042 -2.929 5.808 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.319 -4.332 4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.263 -4.053 6.256 1.00 0.00 H new ATOM 626 N ASN A 41 -0.655 -8.705 8.360 1.00 0.00 N ATOM 627 CA ASN A 41 -0.770 -10.145 8.563 1.00 0.00 C ATOM 628 C ASN A 41 -2.186 -10.524 8.985 1.00 0.00 C ATOM 629 O ASN A 41 -2.866 -11.286 8.298 1.00 0.00 O ATOM 630 CB ASN A 41 0.232 -10.613 9.621 1.00 0.00 C ATOM 631 CG ASN A 41 1.616 -10.035 9.401 1.00 0.00 C ATOM 632 OD1 ASN A 41 1.803 -9.135 8.582 1.00 0.00 O ATOM 633 ND2 ASN A 41 2.596 -10.551 10.135 1.00 0.00 N ATOM 0 H ASN A 41 -0.083 -8.225 9.055 1.00 0.00 H new ATOM 0 HA ASN A 41 -0.548 -10.639 7.617 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.126 -10.325 10.609 1.00 0.00 H new ATOM 0 HB3 ASN A 41 0.289 -11.701 9.607 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.549 -10.202 10.031 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.396 -11.296 10.802 1.00 0.00 H new ATOM 640 N ARG A 42 -2.624 -9.986 10.118 1.00 0.00 N ATOM 641 CA ARG A 42 -3.959 -10.268 10.632 1.00 0.00 C ATOM 642 C ARG A 42 -5.023 -9.943 9.588 1.00 0.00 C ATOM 643 O ARG A 42 -5.809 -10.806 9.199 1.00 0.00 O ATOM 644 CB ARG A 42 -4.218 -9.464 11.908 1.00 0.00 C ATOM 645 CG ARG A 42 -5.285 -10.071 12.804 1.00 0.00 C ATOM 646 CD ARG A 42 -4.769 -11.307 13.525 1.00 0.00 C ATOM 647 NE ARG A 42 -5.857 -12.173 13.972 1.00 0.00 N ATOM 648 CZ ARG A 42 -5.667 -13.319 14.616 1.00 0.00 C ATOM 649 NH1 ARG A 42 -4.437 -13.735 14.887 1.00 0.00 N ATOM 650 NH2 ARG A 42 -6.708 -14.051 14.992 1.00 0.00 N ATOM 0 H ARG A 42 -2.074 -9.352 10.698 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.015 -11.332 10.864 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.288 -9.381 12.470 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.517 -8.452 11.635 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.612 -9.332 13.535 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.157 -10.335 12.206 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.110 -11.866 12.860 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.171 -11.003 14.384 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.815 -11.882 13.779 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.634 -13.174 14.601 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.294 -14.615 15.382 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.655 -13.734 14.786 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.561 -14.931 15.486 1.00 0.00 H new ATOM 664 N ALA A 43 -5.043 -8.691 9.141 1.00 0.00 N ATOM 665 CA ALA A 43 -6.009 -8.253 8.142 1.00 0.00 C ATOM 666 C ALA A 43 -6.065 -9.225 6.968 1.00 0.00 C ATOM 667 O ALA A 43 -7.141 -9.670 6.569 1.00 0.00 O ATOM 668 CB ALA A 43 -5.665 -6.853 7.654 1.00 0.00 C ATOM 0 H ALA A 43 -4.401 -7.963 9.455 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.993 -8.232 8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.395 -6.538 6.908 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.684 -6.160 8.495 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.670 -6.857 7.209 1.00 0.00 H new ATOM 674 N PHE A 44 -4.900 -9.550 6.419 1.00 0.00 N ATOM 675 CA PHE A 44 -4.816 -10.468 5.289 1.00 0.00 C ATOM 676 C PHE A 44 -5.681 -11.703 5.527 1.00 0.00 C ATOM 677 O PHE A 44 -6.152 -12.336 4.582 1.00 0.00 O ATOM 678 CB PHE A 44 -3.364 -10.887 5.051 1.00 0.00 C ATOM 679 CG PHE A 44 -3.195 -11.835 3.898 1.00 0.00 C ATOM 680 CD1 PHE A 44 -3.587 -11.470 2.620 1.00 0.00 C ATOM 681 CD2 PHE A 44 -2.645 -13.092 4.093 1.00 0.00 C ATOM 682 CE1 PHE A 44 -3.433 -12.341 1.558 1.00 0.00 C ATOM 683 CE2 PHE A 44 -2.488 -13.966 3.034 1.00 0.00 C ATOM 684 CZ PHE A 44 -2.883 -13.591 1.765 1.00 0.00 C ATOM 0 H PHE A 44 -4.000 -9.191 6.738 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.187 -9.950 4.404 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.762 -9.996 4.870 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.976 -11.355 5.956 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.018 -10.494 2.452 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.336 -13.392 5.083 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.743 -12.044 0.567 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.056 -14.942 3.199 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.762 -14.273 0.937 1.00 0.00 H new ATOM 694 N TRP A 45 -5.885 -12.039 6.796 1.00 0.00 N ATOM 695 CA TRP A 45 -6.692 -13.198 7.159 1.00 0.00 C ATOM 696 C TRP A 45 -8.119 -12.783 7.499 1.00 0.00 C ATOM 697 O TRP A 45 -9.079 -13.315 6.942 1.00 0.00 O ATOM 698 CB TRP A 45 -6.065 -13.931 8.346 1.00 0.00 C ATOM 699 CG TRP A 45 -4.566 -13.938 8.315 1.00 0.00 C ATOM 700 CD1 TRP A 45 -3.770 -14.049 7.211 1.00 0.00 C ATOM 701 CD2 TRP A 45 -3.685 -13.832 9.439 1.00 0.00 C ATOM 702 NE1 TRP A 45 -2.447 -14.019 7.581 1.00 0.00 N ATOM 703 CE2 TRP A 45 -2.368 -13.885 8.942 1.00 0.00 C ATOM 704 CE3 TRP A 45 -3.881 -13.696 10.816 1.00 0.00 C ATOM 705 CZ2 TRP A 45 -1.255 -13.808 9.774 1.00 0.00 C ATOM 706 CZ3 TRP A 45 -2.775 -13.619 11.641 1.00 0.00 C ATOM 707 CH2 TRP A 45 -1.476 -13.675 11.118 1.00 0.00 C ATOM 0 H TRP A 45 -5.503 -11.525 7.590 1.00 0.00 H new ATOM 0 HA TRP A 45 -6.723 -13.870 6.301 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.400 -13.462 9.271 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -6.426 -14.959 8.361 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.128 -14.146 6.197 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.652 -14.086 6.945 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -4.878 -13.652 11.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -0.253 -13.852 9.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -2.914 -13.514 12.707 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -0.632 -13.612 11.789 1.00 0.00 H new ATOM 718 N GLU A 46 -8.251 -11.829 8.415 1.00 0.00 N ATOM 719 CA GLU A 46 -9.563 -11.343 8.828 1.00 0.00 C ATOM 720 C GLU A 46 -10.304 -10.712 7.653 1.00 0.00 C ATOM 721 O GLU A 46 -11.504 -10.447 7.732 1.00 0.00 O ATOM 722 CB GLU A 46 -9.421 -10.326 9.962 1.00 0.00 C ATOM 723 CG GLU A 46 -8.726 -10.880 11.194 1.00 0.00 C ATOM 724 CD GLU A 46 -8.994 -10.054 12.436 1.00 0.00 C ATOM 725 OE1 GLU A 46 -10.062 -10.242 13.055 1.00 0.00 O ATOM 726 OE2 GLU A 46 -8.135 -9.219 12.790 1.00 0.00 O ATOM 0 H GLU A 46 -7.466 -11.377 8.885 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.142 -12.195 9.185 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.863 -9.464 9.597 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.411 -9.968 10.244 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.059 -11.904 11.365 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.652 -10.920 11.013 1.00 0.00 H new ATOM 733 N SER A 47 -9.581 -10.473 6.564 1.00 0.00 N ATOM 734 CA SER A 47 -10.167 -9.869 5.373 1.00 0.00 C ATOM 735 C SER A 47 -9.913 -10.735 4.143 1.00 0.00 C ATOM 736 O SER A 47 -9.180 -11.722 4.206 1.00 0.00 O ATOM 737 CB SER A 47 -9.595 -8.468 5.152 1.00 0.00 C ATOM 738 OG SER A 47 -10.217 -7.522 6.004 1.00 0.00 O ATOM 0 H SER A 47 -8.587 -10.689 6.482 1.00 0.00 H new ATOM 0 HA SER A 47 -11.244 -9.794 5.526 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.521 -8.477 5.337 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.737 -8.174 4.112 1.00 0.00 H new ATOM 0 HG SER A 47 -10.918 -7.048 5.510 1.00 0.00 H new ATOM 744 N SER A 48 -10.525 -10.358 3.025 1.00 0.00 N ATOM 745 CA SER A 48 -10.370 -11.101 1.780 1.00 0.00 C ATOM 746 C SER A 48 -9.035 -10.775 1.116 1.00 0.00 C ATOM 747 O SER A 48 -8.302 -11.672 0.699 1.00 0.00 O ATOM 748 CB SER A 48 -11.520 -10.781 0.823 1.00 0.00 C ATOM 749 OG SER A 48 -12.603 -11.675 1.012 1.00 0.00 O ATOM 0 H SER A 48 -11.133 -9.542 2.956 1.00 0.00 H new ATOM 0 HA SER A 48 -10.389 -12.165 2.016 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.857 -9.757 0.984 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.168 -10.843 -0.207 1.00 0.00 H new ATOM 0 HG SER A 48 -13.326 -11.449 0.390 1.00 0.00 H new ATOM 755 N ILE A 49 -8.727 -9.486 1.022 1.00 0.00 N ATOM 756 CA ILE A 49 -7.481 -9.041 0.411 1.00 0.00 C ATOM 757 C ILE A 49 -6.861 -7.894 1.200 1.00 0.00 C ATOM 758 O ILE A 49 -7.476 -7.353 2.118 1.00 0.00 O ATOM 759 CB ILE A 49 -7.699 -8.589 -1.046 1.00 0.00 C ATOM 760 CG1 ILE A 49 -8.686 -9.523 -1.750 1.00 0.00 C ATOM 761 CG2 ILE A 49 -6.374 -8.550 -1.792 1.00 0.00 C ATOM 762 CD1 ILE A 49 -9.167 -8.998 -3.085 1.00 0.00 C ATOM 0 H ILE A 49 -9.323 -8.731 1.361 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.802 -9.894 0.421 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.120 -7.584 -1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.212 -10.493 -1.900 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.547 -9.685 -1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.544 -8.229 -2.820 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.700 -7.849 -1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.927 -9.544 -1.792 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.863 -9.711 -3.527 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.670 -8.042 -2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.315 -8.863 -3.751 1.00 0.00 H new ATOM 774 N VAL A 50 -5.637 -7.525 0.834 1.00 0.00 N ATOM 775 CA VAL A 50 -4.933 -6.439 1.505 1.00 0.00 C ATOM 776 C VAL A 50 -4.294 -5.491 0.496 1.00 0.00 C ATOM 777 O VAL A 50 -3.222 -5.769 -0.040 1.00 0.00 O ATOM 778 CB VAL A 50 -3.842 -6.977 2.450 1.00 0.00 C ATOM 779 CG1 VAL A 50 -3.013 -5.833 3.014 1.00 0.00 C ATOM 780 CG2 VAL A 50 -4.464 -7.798 3.569 1.00 0.00 C ATOM 0 H VAL A 50 -5.113 -7.963 0.076 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.675 -5.895 2.090 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.179 -7.627 1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.247 -6.232 3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.537 -5.291 2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.660 -5.155 3.571 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.679 -8.170 4.227 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.150 -7.173 4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.009 -8.640 3.143 1.00 0.00 H new ATOM 790 N TYR A 51 -4.961 -4.370 0.242 1.00 0.00 N ATOM 791 CA TYR A 51 -4.459 -3.381 -0.704 1.00 0.00 C ATOM 792 C TYR A 51 -3.424 -2.474 -0.047 1.00 0.00 C ATOM 793 O TYR A 51 -3.710 -1.800 0.943 1.00 0.00 O ATOM 794 CB TYR A 51 -5.613 -2.541 -1.255 1.00 0.00 C ATOM 795 CG TYR A 51 -6.412 -3.241 -2.332 1.00 0.00 C ATOM 796 CD1 TYR A 51 -5.778 -3.891 -3.383 1.00 0.00 C ATOM 797 CD2 TYR A 51 -7.801 -3.254 -2.296 1.00 0.00 C ATOM 798 CE1 TYR A 51 -6.504 -4.532 -4.369 1.00 0.00 C ATOM 799 CE2 TYR A 51 -8.535 -3.893 -3.276 1.00 0.00 C ATOM 800 CZ TYR A 51 -7.882 -4.530 -4.311 1.00 0.00 C ATOM 801 OH TYR A 51 -8.608 -5.168 -5.290 1.00 0.00 O ATOM 0 H TYR A 51 -5.850 -4.124 0.678 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.979 -3.912 -1.526 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.280 -2.274 -0.436 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.214 -1.610 -1.658 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.699 -3.896 -3.431 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.316 -2.756 -1.488 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.995 -5.032 -5.180 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -9.614 -3.894 -3.232 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.565 -5.074 -5.101 1.00 0.00 H new ATOM 811 N LEU A 52 -2.218 -2.461 -0.606 1.00 0.00 N ATOM 812 CA LEU A 52 -1.138 -1.637 -0.076 1.00 0.00 C ATOM 813 C LEU A 52 -0.656 -0.634 -1.120 1.00 0.00 C ATOM 814 O LEU A 52 0.076 -0.988 -2.044 1.00 0.00 O ATOM 815 CB LEU A 52 0.027 -2.518 0.378 1.00 0.00 C ATOM 816 CG LEU A 52 -0.346 -3.753 1.199 1.00 0.00 C ATOM 817 CD1 LEU A 52 0.780 -4.775 1.167 1.00 0.00 C ATOM 818 CD2 LEU A 52 -0.673 -3.362 2.632 1.00 0.00 C ATOM 0 H LEU A 52 -1.964 -3.012 -1.426 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.523 -1.085 0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.575 -2.846 -0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.710 -1.907 0.968 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.233 -4.206 0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.497 -5.647 1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.967 -5.078 0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.685 -4.333 1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.936 -4.253 3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.195 -2.885 3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.513 -2.667 2.637 1.00 0.00 H new ATOM 830 N VAL A 53 -1.070 0.619 -0.964 1.00 0.00 N ATOM 831 CA VAL A 53 -0.677 1.674 -1.891 1.00 0.00 C ATOM 832 C VAL A 53 0.717 2.199 -1.569 1.00 0.00 C ATOM 833 O VAL A 53 0.921 2.871 -0.557 1.00 0.00 O ATOM 834 CB VAL A 53 -1.675 2.847 -1.861 1.00 0.00 C ATOM 835 CG1 VAL A 53 -1.252 3.933 -2.839 1.00 0.00 C ATOM 836 CG2 VAL A 53 -3.082 2.358 -2.171 1.00 0.00 C ATOM 0 H VAL A 53 -1.677 0.929 -0.205 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.674 1.234 -2.888 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.676 3.274 -0.858 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.969 4.753 -2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.264 4.303 -2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.220 3.522 -3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.774 3.200 -2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.099 1.904 -3.162 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.382 1.619 -1.428 1.00 0.00 H new ATOM 846 N PHE A 54 1.676 1.888 -2.435 1.00 0.00 N ATOM 847 CA PHE A 54 3.052 2.328 -2.242 1.00 0.00 C ATOM 848 C PHE A 54 3.286 3.686 -2.896 1.00 0.00 C ATOM 849 O PHE A 54 2.787 3.955 -3.989 1.00 0.00 O ATOM 850 CB PHE A 54 4.025 1.297 -2.820 1.00 0.00 C ATOM 851 CG PHE A 54 3.917 -0.056 -2.176 1.00 0.00 C ATOM 852 CD1 PHE A 54 2.859 -0.898 -2.475 1.00 0.00 C ATOM 853 CD2 PHE A 54 4.875 -0.484 -1.271 1.00 0.00 C ATOM 854 CE1 PHE A 54 2.757 -2.143 -1.885 1.00 0.00 C ATOM 855 CE2 PHE A 54 4.779 -1.729 -0.677 1.00 0.00 C ATOM 856 CZ PHE A 54 3.718 -2.559 -0.984 1.00 0.00 C ATOM 0 H PHE A 54 1.525 1.333 -3.277 1.00 0.00 H new ATOM 0 HA PHE A 54 3.229 2.425 -1.171 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.843 1.197 -3.890 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.044 1.666 -2.704 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.104 -0.577 -3.178 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.706 0.162 -1.027 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.927 -2.790 -2.128 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.532 -2.052 0.026 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.640 -3.531 -0.520 1.00 0.00 H new ATOM 866 N SER A 55 4.047 4.539 -2.218 1.00 0.00 N ATOM 867 CA SER A 55 4.344 5.872 -2.730 1.00 0.00 C ATOM 868 C SER A 55 5.664 6.389 -2.167 1.00 0.00 C ATOM 869 O SER A 55 5.820 6.538 -0.955 1.00 0.00 O ATOM 870 CB SER A 55 3.213 6.840 -2.378 1.00 0.00 C ATOM 871 OG SER A 55 3.054 6.950 -0.975 1.00 0.00 O ATOM 0 H SER A 55 4.469 4.331 -1.313 1.00 0.00 H new ATOM 0 HA SER A 55 4.433 5.806 -3.814 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.426 7.822 -2.801 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.282 6.495 -2.827 1.00 0.00 H new ATOM 0 HG SER A 55 3.932 6.909 -0.542 1.00 0.00 H new ATOM 877 N VAL A 56 6.614 6.661 -3.057 1.00 0.00 N ATOM 878 CA VAL A 56 7.921 7.162 -2.650 1.00 0.00 C ATOM 879 C VAL A 56 7.816 8.571 -2.077 1.00 0.00 C ATOM 880 O VAL A 56 7.056 9.399 -2.578 1.00 0.00 O ATOM 881 CB VAL A 56 8.910 7.172 -3.831 1.00 0.00 C ATOM 882 CG1 VAL A 56 10.200 7.880 -3.442 1.00 0.00 C ATOM 883 CG2 VAL A 56 9.192 5.754 -4.302 1.00 0.00 C ATOM 0 H VAL A 56 6.502 6.543 -4.064 1.00 0.00 H new ATOM 0 HA VAL A 56 8.293 6.487 -1.879 1.00 0.00 H new ATOM 0 HB VAL A 56 8.457 7.721 -4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.886 7.877 -4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.979 8.909 -3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.660 7.362 -2.601 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.892 5.780 -5.137 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.624 5.178 -3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.262 5.286 -4.624 1.00 0.00 H new ATOM 893 N GLN A 57 8.585 8.835 -1.026 1.00 0.00 N ATOM 894 CA GLN A 57 8.577 10.145 -0.385 1.00 0.00 C ATOM 895 C GLN A 57 9.043 11.228 -1.353 1.00 0.00 C ATOM 896 O GLN A 57 8.487 12.325 -1.387 1.00 0.00 O ATOM 897 CB GLN A 57 9.473 10.134 0.855 1.00 0.00 C ATOM 898 CG GLN A 57 8.744 9.739 2.129 1.00 0.00 C ATOM 899 CD GLN A 57 9.631 9.810 3.356 1.00 0.00 C ATOM 900 OE1 GLN A 57 10.592 10.580 3.397 1.00 0.00 O ATOM 901 NE2 GLN A 57 9.313 9.008 4.365 1.00 0.00 N ATOM 0 H GLN A 57 9.221 8.160 -0.600 1.00 0.00 H new ATOM 0 HA GLN A 57 7.553 10.368 -0.084 1.00 0.00 H new ATOM 0 HB2 GLN A 57 10.299 9.443 0.690 1.00 0.00 H new ATOM 0 HB3 GLN A 57 9.908 11.125 0.987 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.884 10.394 2.269 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.358 8.725 2.023 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.508 8.386 4.288 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.873 9.014 5.217 1.00 0.00 H new ATOM 910 N GLY A 58 10.067 10.911 -2.139 1.00 0.00 N ATOM 911 CA GLY A 58 10.590 11.868 -3.097 1.00 0.00 C ATOM 912 C GLY A 58 9.895 11.782 -4.441 1.00 0.00 C ATOM 913 O GLY A 58 10.538 11.565 -5.468 1.00 0.00 O ATOM 0 H GLY A 58 10.544 10.009 -2.130 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.478 12.876 -2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.658 11.696 -3.232 1.00 0.00 H new ATOM 917 N SER A 59 8.576 11.951 -4.435 1.00 0.00 N ATOM 918 CA SER A 59 7.792 11.885 -5.663 1.00 0.00 C ATOM 919 C SER A 59 6.348 12.307 -5.408 1.00 0.00 C ATOM 920 O SER A 59 5.722 11.869 -4.443 1.00 0.00 O ATOM 921 CB SER A 59 7.826 10.469 -6.241 1.00 0.00 C ATOM 922 OG SER A 59 7.436 10.464 -7.603 1.00 0.00 O ATOM 0 H SER A 59 8.029 12.134 -3.594 1.00 0.00 H new ATOM 0 HA SER A 59 8.233 12.574 -6.383 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.831 10.058 -6.146 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.162 9.823 -5.667 1.00 0.00 H new ATOM 0 HG SER A 59 7.468 9.548 -7.949 1.00 0.00 H new ATOM 928 N GLY A 60 5.825 13.162 -6.282 1.00 0.00 N ATOM 929 CA GLY A 60 4.459 13.630 -6.135 1.00 0.00 C ATOM 930 C GLY A 60 3.460 12.733 -6.837 1.00 0.00 C ATOM 931 O GLY A 60 2.398 13.188 -7.265 1.00 0.00 O ATOM 0 H GLY A 60 6.323 13.539 -7.089 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.210 13.687 -5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.379 14.641 -6.536 1.00 0.00 H new ATOM 935 N HIS A 61 3.799 11.453 -6.959 1.00 0.00 N ATOM 936 CA HIS A 61 2.924 10.489 -7.616 1.00 0.00 C ATOM 937 C HIS A 61 2.834 9.198 -6.808 1.00 0.00 C ATOM 938 O HIS A 61 3.573 9.005 -5.842 1.00 0.00 O ATOM 939 CB HIS A 61 3.430 10.187 -9.027 1.00 0.00 C ATOM 940 CG HIS A 61 3.560 11.404 -9.890 1.00 0.00 C ATOM 941 ND1 HIS A 61 4.578 12.323 -9.747 1.00 0.00 N ATOM 942 CD2 HIS A 61 2.793 11.851 -10.912 1.00 0.00 C ATOM 943 CE1 HIS A 61 4.431 13.283 -10.643 1.00 0.00 C ATOM 944 NE2 HIS A 61 3.356 13.019 -11.363 1.00 0.00 N ATOM 0 H HIS A 61 4.674 11.060 -6.611 1.00 0.00 H new ATOM 0 HA HIS A 61 1.928 10.926 -7.682 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.400 9.695 -8.959 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.749 9.483 -9.506 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.904 11.377 -11.300 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.080 14.138 -10.766 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.001 13.590 -12.130 1.00 0.00 H new ATOM 952 N PHE A 62 1.923 8.317 -7.209 1.00 0.00 N ATOM 953 CA PHE A 62 1.735 7.045 -6.521 1.00 0.00 C ATOM 954 C PHE A 62 2.433 5.914 -7.269 1.00 0.00 C ATOM 955 O PHE A 62 1.982 5.490 -8.333 1.00 0.00 O ATOM 956 CB PHE A 62 0.244 6.734 -6.378 1.00 0.00 C ATOM 957 CG PHE A 62 -0.413 7.457 -5.236 1.00 0.00 C ATOM 958 CD1 PHE A 62 -0.268 7.002 -3.936 1.00 0.00 C ATOM 959 CD2 PHE A 62 -1.175 8.591 -5.464 1.00 0.00 C ATOM 960 CE1 PHE A 62 -0.871 7.665 -2.883 1.00 0.00 C ATOM 961 CE2 PHE A 62 -1.780 9.259 -4.416 1.00 0.00 C ATOM 962 CZ PHE A 62 -1.628 8.794 -3.124 1.00 0.00 C ATOM 0 H PHE A 62 1.304 8.461 -8.007 1.00 0.00 H new ATOM 0 HA PHE A 62 2.178 7.128 -5.529 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.265 6.998 -7.305 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.117 5.660 -6.239 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.323 6.119 -3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.298 8.958 -6.472 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.750 7.300 -1.874 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.371 10.143 -4.607 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.101 9.313 -2.303 1.00 0.00 H new ATOM 972 N GLN A 63 3.535 5.431 -6.706 1.00 0.00 N ATOM 973 CA GLN A 63 4.296 4.350 -7.321 1.00 0.00 C ATOM 974 C GLN A 63 3.382 3.191 -7.705 1.00 0.00 C ATOM 975 O GLN A 63 3.747 2.342 -8.518 1.00 0.00 O ATOM 976 CB GLN A 63 5.388 3.860 -6.368 1.00 0.00 C ATOM 977 CG GLN A 63 6.715 4.579 -6.542 1.00 0.00 C ATOM 978 CD GLN A 63 7.126 4.703 -7.996 1.00 0.00 C ATOM 979 OE1 GLN A 63 7.698 3.777 -8.573 1.00 0.00 O ATOM 980 NE2 GLN A 63 6.834 5.850 -8.599 1.00 0.00 N ATOM 0 H GLN A 63 3.921 5.771 -5.825 1.00 0.00 H new ATOM 0 HA GLN A 63 4.762 4.737 -8.227 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.047 3.989 -5.341 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.540 2.792 -6.522 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.645 5.574 -6.102 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.489 4.042 -5.994 1.00 0.00 H new ATOM 0 HE21 GLN A 63 6.359 6.591 -8.083 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.085 5.990 -9.578 1.00 0.00 H new ATOM 989 N GLY A 64 2.191 3.161 -7.113 1.00 0.00 N ATOM 990 CA GLY A 64 1.244 2.101 -7.406 1.00 0.00 C ATOM 991 C GLY A 64 0.842 1.325 -6.167 1.00 0.00 C ATOM 992 O GLY A 64 1.423 1.505 -5.097 1.00 0.00 O ATOM 0 H GLY A 64 1.866 3.851 -6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.354 2.530 -7.867 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.682 1.417 -8.133 1.00 0.00 H new ATOM 996 N PHE A 65 -0.157 0.460 -6.312 1.00 0.00 N ATOM 997 CA PHE A 65 -0.638 -0.345 -5.195 1.00 0.00 C ATOM 998 C PHE A 65 -0.478 -1.833 -5.489 1.00 0.00 C ATOM 999 O PHE A 65 -0.237 -2.230 -6.629 1.00 0.00 O ATOM 1000 CB PHE A 65 -2.106 -0.025 -4.904 1.00 0.00 C ATOM 1001 CG PHE A 65 -3.064 -0.705 -5.840 1.00 0.00 C ATOM 1002 CD1 PHE A 65 -3.313 -0.181 -7.099 1.00 0.00 C ATOM 1003 CD2 PHE A 65 -3.716 -1.868 -5.462 1.00 0.00 C ATOM 1004 CE1 PHE A 65 -4.195 -0.803 -7.962 1.00 0.00 C ATOM 1005 CE2 PHE A 65 -4.598 -2.495 -6.321 1.00 0.00 C ATOM 1006 CZ PHE A 65 -4.837 -1.963 -7.573 1.00 0.00 C ATOM 0 H PHE A 65 -0.649 0.299 -7.191 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.039 -0.100 -4.318 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.338 -0.321 -3.881 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.254 1.053 -4.965 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.812 0.724 -7.409 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.533 -2.289 -4.485 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.382 -0.383 -8.939 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.100 -3.400 -6.014 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.524 -2.453 -8.247 1.00 0.00 H new ATOM 1016 N SER A 66 -0.615 -2.653 -4.451 1.00 0.00 N ATOM 1017 CA SER A 66 -0.481 -4.098 -4.596 1.00 0.00 C ATOM 1018 C SER A 66 -1.299 -4.828 -3.535 1.00 0.00 C ATOM 1019 O SER A 66 -1.422 -4.363 -2.402 1.00 0.00 O ATOM 1020 CB SER A 66 0.989 -4.508 -4.496 1.00 0.00 C ATOM 1021 OG SER A 66 1.365 -4.733 -3.148 1.00 0.00 O ATOM 0 H SER A 66 -0.819 -2.341 -3.501 1.00 0.00 H new ATOM 0 HA SER A 66 -0.862 -4.377 -5.579 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.158 -5.413 -5.080 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.617 -3.729 -4.927 1.00 0.00 H new ATOM 0 HG SER A 66 1.091 -5.635 -2.878 1.00 0.00 H new ATOM 1027 N ARG A 67 -1.855 -5.975 -3.911 1.00 0.00 N ATOM 1028 CA ARG A 67 -2.662 -6.770 -2.993 1.00 0.00 C ATOM 1029 C ARG A 67 -1.835 -7.896 -2.378 1.00 0.00 C ATOM 1030 O ARG A 67 -1.399 -8.811 -3.075 1.00 0.00 O ATOM 1031 CB ARG A 67 -3.875 -7.353 -3.720 1.00 0.00 C ATOM 1032 CG ARG A 67 -3.513 -8.174 -4.947 1.00 0.00 C ATOM 1033 CD ARG A 67 -4.755 -8.696 -5.653 1.00 0.00 C ATOM 1034 NE ARG A 67 -4.459 -9.852 -6.496 1.00 0.00 N ATOM 1035 CZ ARG A 67 -5.384 -10.700 -6.931 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -6.657 -10.523 -6.604 1.00 0.00 N ATOM 1037 NH2 ARG A 67 -5.037 -11.728 -7.695 1.00 0.00 N ATOM 0 H ARG A 67 -1.761 -6.375 -4.845 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.007 -6.116 -2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.437 -7.979 -3.027 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.534 -6.538 -4.020 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.931 -7.563 -5.637 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.881 -9.012 -4.652 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.505 -8.970 -4.912 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.186 -7.902 -6.264 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.489 -10.017 -6.765 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.928 -9.734 -6.017 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.365 -11.176 -6.940 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.059 -11.868 -7.949 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.748 -12.379 -8.028 1.00 0.00 H new ATOM 1051 N MET A 68 -1.624 -7.820 -1.068 1.00 0.00 N ATOM 1052 CA MET A 68 -0.851 -8.832 -0.359 1.00 0.00 C ATOM 1053 C MET A 68 -1.271 -10.235 -0.785 1.00 0.00 C ATOM 1054 O MET A 68 -2.448 -10.590 -0.713 1.00 0.00 O ATOM 1055 CB MET A 68 -1.025 -8.673 1.153 1.00 0.00 C ATOM 1056 CG MET A 68 0.190 -9.109 1.954 1.00 0.00 C ATOM 1057 SD MET A 68 0.373 -8.191 3.495 1.00 0.00 S ATOM 1058 CE MET A 68 0.518 -9.532 4.674 1.00 0.00 C ATOM 0 H MET A 68 -1.978 -7.068 -0.476 1.00 0.00 H new ATOM 0 HA MET A 68 0.200 -8.693 -0.613 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.242 -7.629 1.378 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.889 -9.254 1.474 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.110 -10.173 2.177 1.00 0.00 H new ATOM 0 HG3 MET A 68 1.086 -8.976 1.348 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.726 -9.125 5.664 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.415 -10.095 4.702 1.00 0.00 H new ATOM 0 HE3 MET A 68 1.331 -10.193 4.375 1.00 0.00 H new ATOM 1068 N SER A 69 -0.303 -11.029 -1.230 1.00 0.00 N ATOM 1069 CA SER A 69 -0.574 -12.392 -1.673 1.00 0.00 C ATOM 1070 C SER A 69 -0.161 -13.402 -0.606 1.00 0.00 C ATOM 1071 O SER A 69 -0.712 -14.499 -0.528 1.00 0.00 O ATOM 1072 CB SER A 69 0.165 -12.683 -2.980 1.00 0.00 C ATOM 1073 OG SER A 69 0.131 -14.066 -3.289 1.00 0.00 O ATOM 0 H SER A 69 0.677 -10.752 -1.294 1.00 0.00 H new ATOM 0 HA SER A 69 -1.647 -12.486 -1.842 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.289 -12.115 -3.792 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.200 -12.351 -2.898 1.00 0.00 H new ATOM 0 HG SER A 69 0.609 -14.225 -4.130 1.00 0.00 H new ATOM 1079 N SER A 70 0.814 -13.021 0.214 1.00 0.00 N ATOM 1080 CA SER A 70 1.305 -13.894 1.274 1.00 0.00 C ATOM 1081 C SER A 70 1.505 -13.114 2.570 1.00 0.00 C ATOM 1082 O SER A 70 1.635 -11.891 2.557 1.00 0.00 O ATOM 1083 CB SER A 70 2.621 -14.552 0.853 1.00 0.00 C ATOM 1084 OG SER A 70 2.977 -15.595 1.744 1.00 0.00 O ATOM 0 H SER A 70 1.279 -12.114 0.165 1.00 0.00 H new ATOM 0 HA SER A 70 0.559 -14.669 1.448 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.526 -14.949 -0.158 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.414 -13.804 0.828 1.00 0.00 H new ATOM 0 HG SER A 70 3.820 -16.001 1.453 1.00 0.00 H new ATOM 1090 N GLU A 71 1.527 -13.833 3.688 1.00 0.00 N ATOM 1091 CA GLU A 71 1.710 -13.209 4.993 1.00 0.00 C ATOM 1092 C GLU A 71 3.181 -12.886 5.241 1.00 0.00 C ATOM 1093 O GLU A 71 4.043 -13.207 4.423 1.00 0.00 O ATOM 1094 CB GLU A 71 1.185 -14.126 6.100 1.00 0.00 C ATOM 1095 CG GLU A 71 1.862 -15.486 6.137 1.00 0.00 C ATOM 1096 CD GLU A 71 1.121 -16.484 7.005 1.00 0.00 C ATOM 1097 OE1 GLU A 71 0.147 -17.089 6.511 1.00 0.00 O ATOM 1098 OE2 GLU A 71 1.515 -16.659 8.177 1.00 0.00 O ATOM 0 H GLU A 71 1.420 -14.847 3.716 1.00 0.00 H new ATOM 0 HA GLU A 71 1.144 -12.277 5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.323 -13.635 7.063 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.113 -14.267 5.965 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.937 -15.878 5.123 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.880 -15.371 6.510 1.00 0.00 H new ATOM 1105 N ILE A 72 3.458 -12.249 6.373 1.00 0.00 N ATOM 1106 CA ILE A 72 4.823 -11.883 6.729 1.00 0.00 C ATOM 1107 C ILE A 72 5.456 -12.934 7.633 1.00 0.00 C ATOM 1108 O ILE A 72 4.880 -13.325 8.647 1.00 0.00 O ATOM 1109 CB ILE A 72 4.873 -10.516 7.437 1.00 0.00 C ATOM 1110 CG1 ILE A 72 4.108 -9.468 6.625 1.00 0.00 C ATOM 1111 CG2 ILE A 72 6.315 -10.081 7.647 1.00 0.00 C ATOM 1112 CD1 ILE A 72 3.987 -8.132 7.324 1.00 0.00 C ATOM 0 H ILE A 72 2.755 -11.975 7.060 1.00 0.00 H new ATOM 0 HA ILE A 72 5.386 -11.822 5.798 1.00 0.00 H new ATOM 0 HB ILE A 72 4.397 -10.611 8.413 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.610 -9.324 5.668 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.109 -9.847 6.407 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.334 -9.113 8.148 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.832 -10.818 8.262 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.815 -9.999 6.682 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.434 -7.439 6.691 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.458 -8.262 8.268 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.982 -7.731 7.518 1.00 0.00 H new ATOM 1124 N GLY A 73 6.649 -13.389 7.259 1.00 0.00 N ATOM 1125 CA GLY A 73 7.342 -14.390 8.048 1.00 0.00 C ATOM 1126 C GLY A 73 8.047 -15.420 7.188 1.00 0.00 C ATOM 1127 O GLY A 73 9.152 -15.180 6.701 1.00 0.00 O ATOM 0 H GLY A 73 7.147 -13.082 6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.071 -13.899 8.693 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.628 -14.893 8.700 1.00 0.00 H new ATOM 1131 N ARG A 74 7.408 -16.570 7.001 1.00 0.00 N ATOM 1132 CA ARG A 74 7.982 -17.641 6.196 1.00 0.00 C ATOM 1133 C ARG A 74 8.810 -17.074 5.047 1.00 0.00 C ATOM 1134 O ARG A 74 9.831 -17.645 4.665 1.00 0.00 O ATOM 1135 CB ARG A 74 6.876 -18.543 5.645 1.00 0.00 C ATOM 1136 CG ARG A 74 5.923 -17.830 4.700 1.00 0.00 C ATOM 1137 CD ARG A 74 4.847 -17.071 5.461 1.00 0.00 C ATOM 1138 NE ARG A 74 4.112 -17.936 6.378 1.00 0.00 N ATOM 1139 CZ ARG A 74 3.272 -18.885 5.980 1.00 0.00 C ATOM 1140 NH1 ARG A 74 3.063 -19.089 4.687 1.00 0.00 N ATOM 1141 NH2 ARG A 74 2.639 -19.632 6.876 1.00 0.00 N ATOM 0 H ARG A 74 6.492 -16.784 7.396 1.00 0.00 H new ATOM 0 HA ARG A 74 8.637 -18.231 6.837 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.331 -19.384 5.122 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.307 -18.956 6.478 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.483 -17.137 4.071 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.456 -18.557 4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.306 -16.256 6.021 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.152 -16.620 4.753 1.00 0.00 H new ATOM 0 HE ARG A 74 4.251 -17.805 7.380 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.548 -18.517 3.996 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.418 -19.818 4.384 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.797 -19.478 7.872 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.994 -20.360 6.569 1.00 0.00 H new ATOM 1155 N GLU A 75 8.361 -15.948 4.500 1.00 0.00 N ATOM 1156 CA GLU A 75 9.060 -15.305 3.394 1.00 0.00 C ATOM 1157 C GLU A 75 10.218 -14.451 3.904 1.00 0.00 C ATOM 1158 O GLU A 75 10.075 -13.708 4.875 1.00 0.00 O ATOM 1159 CB GLU A 75 8.093 -14.440 2.584 1.00 0.00 C ATOM 1160 CG GLU A 75 8.670 -13.954 1.265 1.00 0.00 C ATOM 1161 CD GLU A 75 8.641 -15.020 0.187 1.00 0.00 C ATOM 1162 OE1 GLU A 75 8.886 -16.200 0.512 1.00 0.00 O ATOM 1163 OE2 GLU A 75 8.372 -14.673 -0.982 1.00 0.00 O ATOM 0 H GLU A 75 7.517 -15.463 4.805 1.00 0.00 H new ATOM 0 HA GLU A 75 9.464 -16.087 2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.186 -15.012 2.386 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.801 -13.577 3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.108 -13.084 0.926 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.698 -13.628 1.421 1.00 0.00 H new ATOM 1170 N LYS A 76 11.365 -14.564 3.243 1.00 0.00 N ATOM 1171 CA LYS A 76 12.548 -13.803 3.627 1.00 0.00 C ATOM 1172 C LYS A 76 13.435 -13.530 2.417 1.00 0.00 C ATOM 1173 O LYS A 76 13.829 -14.452 1.703 1.00 0.00 O ATOM 1174 CB LYS A 76 13.341 -14.560 4.695 1.00 0.00 C ATOM 1175 CG LYS A 76 12.854 -14.303 6.111 1.00 0.00 C ATOM 1176 CD LYS A 76 13.313 -12.947 6.621 1.00 0.00 C ATOM 1177 CE LYS A 76 12.764 -12.660 8.010 1.00 0.00 C ATOM 1178 NZ LYS A 76 13.379 -13.541 9.042 1.00 0.00 N ATOM 0 H LYS A 76 11.500 -15.176 2.438 1.00 0.00 H new ATOM 0 HA LYS A 76 12.219 -12.848 4.036 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.284 -15.629 4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.391 -14.277 4.624 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.765 -14.353 6.137 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.225 -15.086 6.772 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.402 -12.916 6.645 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.987 -12.168 5.932 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.950 -11.617 8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.683 -12.801 8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.043 -13.259 9.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.110 -14.529 8.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.414 -13.451 9.003 1.00 0.00 H new ATOM 1192 N SER A 77 13.748 -12.258 2.194 1.00 0.00 N ATOM 1193 CA SER A 77 14.588 -11.863 1.069 1.00 0.00 C ATOM 1194 C SER A 77 15.995 -11.509 1.539 1.00 0.00 C ATOM 1195 O SER A 77 16.314 -11.629 2.722 1.00 0.00 O ATOM 1196 CB SER A 77 13.968 -10.672 0.336 1.00 0.00 C ATOM 1197 OG SER A 77 14.349 -10.658 -1.029 1.00 0.00 O ATOM 0 H SER A 77 13.433 -11.483 2.777 1.00 0.00 H new ATOM 0 HA SER A 77 14.655 -12.708 0.383 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.882 -10.719 0.413 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.281 -9.744 0.814 1.00 0.00 H new ATOM 0 HG SER A 77 14.220 -9.758 -1.395 1.00 0.00 H new ATOM 1203 N GLN A 78 16.833 -11.072 0.604 1.00 0.00 N ATOM 1204 CA GLN A 78 18.206 -10.701 0.922 1.00 0.00 C ATOM 1205 C GLN A 78 18.482 -9.251 0.539 1.00 0.00 C ATOM 1206 O GLN A 78 18.875 -8.441 1.378 1.00 0.00 O ATOM 1207 CB GLN A 78 19.187 -11.627 0.201 1.00 0.00 C ATOM 1208 CG GLN A 78 20.494 -11.832 0.951 1.00 0.00 C ATOM 1209 CD GLN A 78 21.566 -12.470 0.090 1.00 0.00 C ATOM 1210 OE1 GLN A 78 21.698 -13.694 0.047 1.00 0.00 O ATOM 1211 NE2 GLN A 78 22.340 -11.643 -0.602 1.00 0.00 N ATOM 0 H GLN A 78 16.585 -10.966 -0.380 1.00 0.00 H new ATOM 0 HA GLN A 78 18.343 -10.805 1.998 1.00 0.00 H new ATOM 0 HB2 GLN A 78 18.712 -12.595 0.045 1.00 0.00 H new ATOM 0 HB3 GLN A 78 19.404 -11.216 -0.785 1.00 0.00 H new ATOM 0 HG2 GLN A 78 20.853 -10.870 1.318 1.00 0.00 H new ATOM 0 HG3 GLN A 78 20.313 -12.459 1.824 1.00 0.00 H new ATOM 0 HE21 GLN A 78 22.196 -10.635 -0.537 1.00 0.00 H new ATOM 0 HE22 GLN A 78 23.079 -12.015 -1.199 1.00 0.00 H new ATOM 1220 N ASP A 79 18.272 -8.931 -0.734 1.00 0.00 N ATOM 1221 CA ASP A 79 18.497 -7.578 -1.229 1.00 0.00 C ATOM 1222 C ASP A 79 17.573 -6.584 -0.533 1.00 0.00 C ATOM 1223 O ASP A 79 16.351 -6.726 -0.572 1.00 0.00 O ATOM 1224 CB ASP A 79 18.279 -7.523 -2.742 1.00 0.00 C ATOM 1225 CG ASP A 79 19.126 -6.458 -3.410 1.00 0.00 C ATOM 1226 OD1 ASP A 79 19.416 -5.435 -2.757 1.00 0.00 O ATOM 1227 OD2 ASP A 79 19.499 -6.648 -4.587 1.00 0.00 O ATOM 0 H ASP A 79 17.946 -9.590 -1.441 1.00 0.00 H new ATOM 0 HA ASP A 79 19.528 -7.304 -1.008 1.00 0.00 H new ATOM 0 HB2 ASP A 79 18.514 -8.495 -3.176 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.226 -7.328 -2.948 1.00 0.00 H new ATOM 1232 N TRP A 80 18.164 -5.580 0.104 1.00 0.00 N ATOM 1233 CA TRP A 80 17.394 -4.563 0.810 1.00 0.00 C ATOM 1234 C TRP A 80 18.275 -3.378 1.189 1.00 0.00 C ATOM 1235 O TRP A 80 19.501 -3.474 1.174 1.00 0.00 O ATOM 1236 CB TRP A 80 16.752 -5.159 2.064 1.00 0.00 C ATOM 1237 CG TRP A 80 15.491 -5.919 1.782 1.00 0.00 C ATOM 1238 CD1 TRP A 80 15.188 -7.185 2.196 1.00 0.00 C ATOM 1239 CD2 TRP A 80 14.367 -5.462 1.023 1.00 0.00 C ATOM 1240 NE1 TRP A 80 13.942 -7.542 1.740 1.00 0.00 N ATOM 1241 CE2 TRP A 80 13.417 -6.503 1.019 1.00 0.00 C ATOM 1242 CE3 TRP A 80 14.068 -4.275 0.349 1.00 0.00 C ATOM 1243 CZ2 TRP A 80 12.193 -6.390 0.365 1.00 0.00 C ATOM 1244 CZ3 TRP A 80 12.853 -4.165 -0.300 1.00 0.00 C ATOM 1245 CH2 TRP A 80 11.927 -5.216 -0.287 1.00 0.00 C ATOM 0 H TRP A 80 19.175 -5.448 0.146 1.00 0.00 H new ATOM 0 HA TRP A 80 16.609 -4.209 0.142 1.00 0.00 H new ATOM 0 HB2 TRP A 80 17.467 -5.823 2.549 1.00 0.00 H new ATOM 0 HB3 TRP A 80 16.534 -4.356 2.768 1.00 0.00 H new ATOM 0 HD1 TRP A 80 15.833 -7.813 2.793 1.00 0.00 H new ATOM 0 HE1 TRP A 80 13.482 -8.436 1.911 1.00 0.00 H new ATOM 0 HE3 TRP A 80 14.774 -3.458 0.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 11.479 -7.200 0.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 12.613 -3.253 -0.826 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.985 -5.098 -0.801 1.00 0.00 H new ATOM 1256 N GLY A 81 17.641 -2.260 1.530 1.00 0.00 N ATOM 1257 CA GLY A 81 18.384 -1.072 1.908 1.00 0.00 C ATOM 1258 C GLY A 81 18.854 -1.116 3.349 1.00 0.00 C ATOM 1259 O GLY A 81 19.992 -0.757 3.649 1.00 0.00 O ATOM 0 H GLY A 81 16.627 -2.156 1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 81 19.247 -0.962 1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.757 -0.193 1.760 1.00 0.00 H new ATOM 1263 N SER A 82 17.975 -1.557 4.243 1.00 0.00 N ATOM 1264 CA SER A 82 18.304 -1.642 5.661 1.00 0.00 C ATOM 1265 C SER A 82 17.992 -3.031 6.209 1.00 0.00 C ATOM 1266 O SER A 82 16.880 -3.535 6.057 1.00 0.00 O ATOM 1267 CB SER A 82 17.529 -0.585 6.450 1.00 0.00 C ATOM 1268 OG SER A 82 18.119 -0.362 7.719 1.00 0.00 O ATOM 0 H SER A 82 17.030 -1.861 4.010 1.00 0.00 H new ATOM 0 HA SER A 82 19.373 -1.458 5.772 1.00 0.00 H new ATOM 0 HB2 SER A 82 17.505 0.348 5.887 1.00 0.00 H new ATOM 0 HB3 SER A 82 16.495 -0.907 6.577 1.00 0.00 H new ATOM 0 HG SER A 82 17.606 0.319 8.203 1.00 0.00 H new ATOM 1274 N ALA A 83 18.984 -3.645 6.846 1.00 0.00 N ATOM 1275 CA ALA A 83 18.816 -4.975 7.419 1.00 0.00 C ATOM 1276 C ALA A 83 17.900 -4.937 8.637 1.00 0.00 C ATOM 1277 O ALA A 83 17.164 -5.886 8.903 1.00 0.00 O ATOM 1278 CB ALA A 83 20.169 -5.563 7.791 1.00 0.00 C ATOM 0 H ALA A 83 19.912 -3.243 6.978 1.00 0.00 H new ATOM 0 HA ALA A 83 18.349 -5.612 6.667 1.00 0.00 H new ATOM 0 HB1 ALA A 83 20.029 -6.556 8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 83 20.792 -5.636 6.899 1.00 0.00 H new ATOM 0 HB3 ALA A 83 20.657 -4.919 8.523 1.00 0.00 H new ATOM 1284 N GLY A 84 17.952 -3.833 9.376 1.00 0.00 N ATOM 1285 CA GLY A 84 17.122 -3.692 10.559 1.00 0.00 C ATOM 1286 C GLY A 84 15.770 -4.360 10.401 1.00 0.00 C ATOM 1287 O GLY A 84 15.198 -4.856 11.372 1.00 0.00 O ATOM 0 H GLY A 84 18.554 -3.034 9.177 1.00 0.00 H new ATOM 0 HA2 GLY A 84 17.639 -4.124 11.416 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.978 -2.633 10.774 1.00 0.00 H new ATOM 1291 N LEU A 85 15.257 -4.371 9.176 1.00 0.00 N ATOM 1292 CA LEU A 85 13.963 -4.982 8.894 1.00 0.00 C ATOM 1293 C LEU A 85 13.805 -6.298 9.650 1.00 0.00 C ATOM 1294 O LEU A 85 14.788 -6.897 10.084 1.00 0.00 O ATOM 1295 CB LEU A 85 13.806 -5.221 7.392 1.00 0.00 C ATOM 1296 CG LEU A 85 13.817 -3.973 6.508 1.00 0.00 C ATOM 1297 CD1 LEU A 85 14.148 -4.341 5.070 1.00 0.00 C ATOM 1298 CD2 LEU A 85 12.478 -3.254 6.583 1.00 0.00 C ATOM 0 H LEU A 85 15.717 -3.964 8.362 1.00 0.00 H new ATOM 0 HA LEU A 85 13.185 -4.296 9.229 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.609 -5.881 7.064 1.00 0.00 H new ATOM 0 HB3 LEU A 85 12.869 -5.752 7.225 1.00 0.00 H new ATOM 0 HG LEU A 85 14.590 -3.297 6.875 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.151 -3.441 4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 85 15.131 -4.810 5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.399 -5.036 4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.504 -2.369 5.948 1.00 0.00 H new ATOM 0 HD22 LEU A 85 11.687 -3.922 6.242 1.00 0.00 H new ATOM 0 HD23 LEU A 85 12.282 -2.956 7.613 1.00 0.00 H new ATOM 1310 N GLY A 86 12.561 -6.743 9.801 1.00 0.00 N ATOM 1311 CA GLY A 86 12.298 -7.986 10.502 1.00 0.00 C ATOM 1312 C GLY A 86 11.013 -8.647 10.046 1.00 0.00 C ATOM 1313 O GLY A 86 10.083 -8.822 10.832 1.00 0.00 O ATOM 0 H GLY A 86 11.731 -6.265 9.450 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.131 -8.671 10.345 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.243 -7.791 11.573 1.00 0.00 H new ATOM 1317 N GLY A 87 10.959 -9.016 8.769 1.00 0.00 N ATOM 1318 CA GLY A 87 9.773 -9.657 8.231 1.00 0.00 C ATOM 1319 C GLY A 87 9.495 -9.250 6.798 1.00 0.00 C ATOM 1320 O GLY A 87 9.333 -8.066 6.501 1.00 0.00 O ATOM 0 H GLY A 87 11.715 -8.882 8.098 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.894 -10.739 8.281 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.913 -9.403 8.851 1.00 0.00 H new ATOM 1324 N VAL A 88 9.439 -10.234 5.905 1.00 0.00 N ATOM 1325 CA VAL A 88 9.179 -9.972 4.495 1.00 0.00 C ATOM 1326 C VAL A 88 7.950 -10.734 4.012 1.00 0.00 C ATOM 1327 O VAL A 88 7.625 -11.802 4.532 1.00 0.00 O ATOM 1328 CB VAL A 88 10.386 -10.361 3.620 1.00 0.00 C ATOM 1329 CG1 VAL A 88 10.057 -10.179 2.146 1.00 0.00 C ATOM 1330 CG2 VAL A 88 11.609 -9.542 4.006 1.00 0.00 C ATOM 0 H VAL A 88 9.570 -11.219 6.134 1.00 0.00 H new ATOM 0 HA VAL A 88 9.000 -8.901 4.400 1.00 0.00 H new ATOM 0 HB VAL A 88 10.613 -11.413 3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.921 -10.458 1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.210 -10.812 1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.804 -9.136 1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.452 -9.830 3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.396 -8.482 3.865 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.855 -9.727 5.052 1.00 0.00 H new ATOM 1340 N PHE A 89 7.269 -10.178 3.015 1.00 0.00 N ATOM 1341 CA PHE A 89 6.075 -10.805 2.462 1.00 0.00 C ATOM 1342 C PHE A 89 5.950 -10.516 0.969 1.00 0.00 C ATOM 1343 O PHE A 89 6.578 -9.593 0.449 1.00 0.00 O ATOM 1344 CB PHE A 89 4.827 -10.309 3.195 1.00 0.00 C ATOM 1345 CG PHE A 89 4.674 -8.815 3.174 1.00 0.00 C ATOM 1346 CD1 PHE A 89 5.501 -8.010 3.941 1.00 0.00 C ATOM 1347 CD2 PHE A 89 3.704 -8.215 2.387 1.00 0.00 C ATOM 1348 CE1 PHE A 89 5.361 -6.635 3.923 1.00 0.00 C ATOM 1349 CE2 PHE A 89 3.560 -6.841 2.365 1.00 0.00 C ATOM 1350 CZ PHE A 89 4.391 -6.049 3.134 1.00 0.00 C ATOM 0 H PHE A 89 7.524 -9.294 2.574 1.00 0.00 H new ATOM 0 HA PHE A 89 6.165 -11.883 2.599 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.945 -10.763 2.743 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.865 -10.648 4.230 1.00 0.00 H new ATOM 0 HD1 PHE A 89 6.263 -8.462 4.559 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.052 -8.829 1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.011 -6.019 4.526 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.799 -6.387 1.748 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.282 -4.975 3.118 1.00 0.00 H new ATOM 1360 N LYS A 90 5.136 -11.312 0.284 1.00 0.00 N ATOM 1361 CA LYS A 90 4.927 -11.144 -1.149 1.00 0.00 C ATOM 1362 C LYS A 90 3.854 -10.095 -1.423 1.00 0.00 C ATOM 1363 O LYS A 90 3.054 -9.767 -0.546 1.00 0.00 O ATOM 1364 CB LYS A 90 4.528 -12.476 -1.787 1.00 0.00 C ATOM 1365 CG LYS A 90 5.711 -13.294 -2.276 1.00 0.00 C ATOM 1366 CD LYS A 90 5.341 -14.757 -2.454 1.00 0.00 C ATOM 1367 CE LYS A 90 5.385 -15.508 -1.131 1.00 0.00 C ATOM 1368 NZ LYS A 90 4.689 -16.822 -1.216 1.00 0.00 N ATOM 0 H LYS A 90 4.610 -12.081 0.699 1.00 0.00 H new ATOM 0 HA LYS A 90 5.864 -10.804 -1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.966 -13.063 -1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.859 -12.282 -2.626 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.067 -12.890 -3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.532 -13.209 -1.564 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.342 -14.831 -2.883 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.027 -15.223 -3.161 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.423 -15.665 -0.837 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.922 -14.901 -0.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.741 -17.303 -0.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.692 -16.671 -1.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.147 -17.411 -1.940 1.00 0.00 H new ATOM 1382 N VAL A 91 3.841 -9.573 -2.645 1.00 0.00 N ATOM 1383 CA VAL A 91 2.864 -8.563 -3.035 1.00 0.00 C ATOM 1384 C VAL A 91 2.510 -8.683 -4.513 1.00 0.00 C ATOM 1385 O VAL A 91 3.378 -8.928 -5.350 1.00 0.00 O ATOM 1386 CB VAL A 91 3.385 -7.141 -2.756 1.00 0.00 C ATOM 1387 CG1 VAL A 91 3.218 -6.790 -1.285 1.00 0.00 C ATOM 1388 CG2 VAL A 91 4.840 -7.014 -3.182 1.00 0.00 C ATOM 0 H VAL A 91 4.496 -9.833 -3.382 1.00 0.00 H new ATOM 0 HA VAL A 91 1.971 -8.738 -2.435 1.00 0.00 H new ATOM 0 HB VAL A 91 2.796 -6.435 -3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.592 -5.782 -1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.163 -6.839 -1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.780 -7.498 -0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.192 -6.003 -2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.446 -7.729 -2.625 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.926 -7.219 -4.249 1.00 0.00 H new ATOM 1398 N GLU A 92 1.230 -8.507 -4.825 1.00 0.00 N ATOM 1399 CA GLU A 92 0.762 -8.596 -6.203 1.00 0.00 C ATOM 1400 C GLU A 92 0.581 -7.206 -6.807 1.00 0.00 C ATOM 1401 O GLU A 92 -0.294 -6.446 -6.391 1.00 0.00 O ATOM 1402 CB GLU A 92 -0.558 -9.368 -6.269 1.00 0.00 C ATOM 1403 CG GLU A 92 -0.861 -9.939 -7.644 1.00 0.00 C ATOM 1404 CD GLU A 92 -0.265 -9.110 -8.764 1.00 0.00 C ATOM 1405 OE1 GLU A 92 0.952 -9.240 -9.015 1.00 0.00 O ATOM 1406 OE2 GLU A 92 -1.013 -8.331 -9.391 1.00 0.00 O ATOM 0 H GLU A 92 0.500 -8.302 -4.143 1.00 0.00 H new ATOM 0 HA GLU A 92 1.516 -9.130 -6.781 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.530 -10.182 -5.545 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.372 -8.706 -5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.474 -10.956 -7.704 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.941 -10.001 -7.778 1.00 0.00 H new ATOM 1413 N TRP A 93 1.414 -6.881 -7.789 1.00 0.00 N ATOM 1414 CA TRP A 93 1.346 -5.583 -8.450 1.00 0.00 C ATOM 1415 C TRP A 93 0.257 -5.571 -9.517 1.00 0.00 C ATOM 1416 O TRP A 93 0.248 -6.411 -10.416 1.00 0.00 O ATOM 1417 CB TRP A 93 2.697 -5.237 -9.079 1.00 0.00 C ATOM 1418 CG TRP A 93 3.733 -4.830 -8.075 1.00 0.00 C ATOM 1419 CD1 TRP A 93 4.627 -5.647 -7.443 1.00 0.00 C ATOM 1420 CD2 TRP A 93 3.980 -3.507 -7.586 1.00 0.00 C ATOM 1421 NE1 TRP A 93 5.415 -4.911 -6.591 1.00 0.00 N ATOM 1422 CE2 TRP A 93 5.039 -3.596 -6.661 1.00 0.00 C ATOM 1423 CE3 TRP A 93 3.412 -2.257 -7.842 1.00 0.00 C ATOM 1424 CZ2 TRP A 93 5.537 -2.481 -5.992 1.00 0.00 C ATOM 1425 CZ3 TRP A 93 3.908 -1.151 -7.177 1.00 0.00 C ATOM 1426 CH2 TRP A 93 4.962 -1.269 -6.261 1.00 0.00 C ATOM 0 H TRP A 93 2.144 -7.498 -8.145 1.00 0.00 H new ATOM 0 HA TRP A 93 1.100 -4.833 -7.698 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.061 -6.099 -9.637 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.559 -4.428 -9.796 1.00 0.00 H new ATOM 0 HD1 TRP A 93 4.703 -6.714 -7.591 1.00 0.00 H new ATOM 0 HE1 TRP A 93 6.159 -5.284 -6.002 1.00 0.00 H new ATOM 0 HE3 TRP A 93 2.600 -2.156 -8.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 6.349 -2.570 -5.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.476 -0.180 -7.367 1.00 0.00 H new ATOM 0 HH2 TRP A 93 5.327 -0.386 -5.758 1.00 0.00 H new ATOM 1437 N ILE A 94 -0.659 -4.613 -9.410 1.00 0.00 N ATOM 1438 CA ILE A 94 -1.751 -4.492 -10.368 1.00 0.00 C ATOM 1439 C ILE A 94 -1.435 -3.448 -11.433 1.00 0.00 C ATOM 1440 O ILE A 94 -1.579 -3.703 -12.629 1.00 0.00 O ATOM 1441 CB ILE A 94 -3.071 -4.115 -9.670 1.00 0.00 C ATOM 1442 CG1 ILE A 94 -3.358 -5.080 -8.518 1.00 0.00 C ATOM 1443 CG2 ILE A 94 -4.218 -4.120 -10.670 1.00 0.00 C ATOM 1444 CD1 ILE A 94 -2.600 -4.750 -7.251 1.00 0.00 C ATOM 0 H ILE A 94 -0.666 -3.911 -8.670 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.865 -5.467 -10.842 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.975 -3.109 -9.261 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.427 -5.071 -8.305 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.104 -6.093 -8.831 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.144 -3.852 -10.162 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.015 -3.397 -11.460 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.317 -5.115 -11.105 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.852 -5.475 -6.477 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.529 -4.787 -7.448 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.873 -3.750 -6.914 1.00 0.00 H new ATOM 1456 N ARG A 95 -1.004 -2.272 -10.991 1.00 0.00 N ATOM 1457 CA ARG A 95 -0.667 -1.188 -11.906 1.00 0.00 C ATOM 1458 C ARG A 95 0.667 -0.550 -11.527 1.00 0.00 C ATOM 1459 O ARG A 95 0.865 -0.131 -10.386 1.00 0.00 O ATOM 1460 CB ARG A 95 -1.770 -0.128 -11.904 1.00 0.00 C ATOM 1461 CG ARG A 95 -3.149 -0.684 -12.221 1.00 0.00 C ATOM 1462 CD ARG A 95 -3.381 -0.775 -13.722 1.00 0.00 C ATOM 1463 NE ARG A 95 -2.477 -1.729 -14.358 1.00 0.00 N ATOM 1464 CZ ARG A 95 -2.141 -1.678 -15.642 1.00 0.00 C ATOM 1465 NH1 ARG A 95 -2.631 -0.724 -16.422 1.00 0.00 N ATOM 1466 NH2 ARG A 95 -1.313 -2.583 -16.149 1.00 0.00 N ATOM 0 H ARG A 95 -0.880 -2.045 -10.004 1.00 0.00 H new ATOM 0 HA ARG A 95 -0.578 -1.608 -12.908 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.798 0.354 -10.927 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.522 0.644 -12.633 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.255 -1.673 -11.775 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -3.911 -0.048 -11.772 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -4.413 -1.071 -13.912 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -3.244 0.209 -14.170 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.082 -2.475 -13.785 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.268 -0.027 -16.036 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.371 -0.687 -17.408 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -0.934 -3.319 -15.552 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -1.056 -2.543 -17.135 1.00 0.00 H new ATOM 1480 N LYS A 96 1.579 -0.481 -12.490 1.00 0.00 N ATOM 1481 CA LYS A 96 2.893 0.106 -12.259 1.00 0.00 C ATOM 1482 C LYS A 96 2.954 1.533 -12.794 1.00 0.00 C ATOM 1483 O LYS A 96 4.035 2.072 -13.029 1.00 0.00 O ATOM 1484 CB LYS A 96 3.978 -0.745 -12.923 1.00 0.00 C ATOM 1485 CG LYS A 96 4.217 -2.075 -12.229 1.00 0.00 C ATOM 1486 CD LYS A 96 5.047 -3.012 -13.090 1.00 0.00 C ATOM 1487 CE LYS A 96 5.607 -4.168 -12.277 1.00 0.00 C ATOM 1488 NZ LYS A 96 4.682 -5.335 -12.262 1.00 0.00 N ATOM 0 H LYS A 96 1.432 -0.825 -13.439 1.00 0.00 H new ATOM 0 HA LYS A 96 3.067 0.132 -11.183 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.698 -0.931 -13.960 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.911 -0.181 -12.940 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.726 -1.905 -11.280 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.260 -2.543 -11.998 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.433 -3.401 -13.902 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.866 -2.457 -13.547 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.568 -4.472 -12.692 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.791 -3.837 -11.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.100 -6.102 -11.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.773 -5.052 -11.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.526 -5.667 -13.235 1.00 0.00 H new ATOM 1502 N GLU A 97 1.786 2.140 -12.981 1.00 0.00 N ATOM 1503 CA GLU A 97 1.708 3.506 -13.488 1.00 0.00 C ATOM 1504 C GLU A 97 1.849 4.516 -12.353 1.00 0.00 C ATOM 1505 O GLU A 97 1.433 4.259 -11.223 1.00 0.00 O ATOM 1506 CB GLU A 97 0.383 3.727 -14.220 1.00 0.00 C ATOM 1507 CG GLU A 97 0.464 4.768 -15.324 1.00 0.00 C ATOM 1508 CD GLU A 97 1.000 4.200 -16.624 1.00 0.00 C ATOM 1509 OE1 GLU A 97 1.492 3.052 -16.612 1.00 0.00 O ATOM 1510 OE2 GLU A 97 0.926 4.903 -17.653 1.00 0.00 O ATOM 0 H GLU A 97 0.882 1.708 -12.789 1.00 0.00 H new ATOM 0 HA GLU A 97 2.530 3.654 -14.188 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.052 2.781 -14.648 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.374 4.033 -13.498 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.527 5.187 -15.496 1.00 0.00 H new ATOM 0 HG3 GLU A 97 1.104 5.588 -14.999 1.00 0.00 H new ATOM 1517 N SER A 98 2.441 5.665 -12.662 1.00 0.00 N ATOM 1518 CA SER A 98 2.641 6.713 -11.667 1.00 0.00 C ATOM 1519 C SER A 98 1.502 7.727 -11.709 1.00 0.00 C ATOM 1520 O SER A 98 1.501 8.644 -12.533 1.00 0.00 O ATOM 1521 CB SER A 98 3.978 7.420 -11.903 1.00 0.00 C ATOM 1522 OG SER A 98 4.917 6.546 -12.505 1.00 0.00 O ATOM 0 H SER A 98 2.790 5.894 -13.592 1.00 0.00 H new ATOM 0 HA SER A 98 2.653 6.247 -10.682 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.825 8.290 -12.541 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.372 7.785 -10.955 1.00 0.00 H new ATOM 0 HG SER A 98 5.762 7.021 -12.647 1.00 0.00 H new ATOM 1528 N LEU A 99 0.534 7.557 -10.816 1.00 0.00 N ATOM 1529 CA LEU A 99 -0.612 8.457 -10.750 1.00 0.00 C ATOM 1530 C LEU A 99 -0.270 9.718 -9.964 1.00 0.00 C ATOM 1531 O LEU A 99 0.156 9.664 -8.810 1.00 0.00 O ATOM 1532 CB LEU A 99 -1.805 7.749 -10.104 1.00 0.00 C ATOM 1533 CG LEU A 99 -3.040 8.612 -9.848 1.00 0.00 C ATOM 1534 CD1 LEU A 99 -3.845 8.785 -11.127 1.00 0.00 C ATOM 1535 CD2 LEU A 99 -3.901 8.001 -8.753 1.00 0.00 C ATOM 0 H LEU A 99 0.519 6.804 -10.128 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.875 8.745 -11.768 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.096 6.915 -10.742 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.479 7.325 -9.154 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.709 9.596 -9.515 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.720 9.402 -10.925 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.227 9.268 -11.883 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.165 7.808 -11.490 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.776 8.629 -8.585 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.223 7.005 -9.057 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.322 7.930 -7.832 1.00 0.00 H new ATOM 1547 N PRO A 100 -0.460 10.883 -10.602 1.00 0.00 N ATOM 1548 CA PRO A 100 -0.180 12.181 -9.981 1.00 0.00 C ATOM 1549 C PRO A 100 -1.167 12.516 -8.868 1.00 0.00 C ATOM 1550 O PRO A 100 -2.372 12.309 -9.011 1.00 0.00 O ATOM 1551 CB PRO A 100 -0.326 13.168 -11.141 1.00 0.00 C ATOM 1552 CG PRO A 100 -1.247 12.494 -12.098 1.00 0.00 C ATOM 1553 CD PRO A 100 -0.964 11.022 -11.978 1.00 0.00 C ATOM 0 HA PRO A 100 0.801 12.203 -9.506 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -0.735 14.120 -10.802 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.638 13.382 -11.603 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.288 12.712 -11.858 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.075 12.843 -13.116 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.862 10.426 -12.139 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.227 10.693 -12.711 1.00 0.00 H new ATOM 1561 N PHE A 101 -0.649 13.035 -7.760 1.00 0.00 N ATOM 1562 CA PHE A 101 -1.485 13.399 -6.622 1.00 0.00 C ATOM 1563 C PHE A 101 -2.691 14.218 -7.073 1.00 0.00 C ATOM 1564 O PHE A 101 -3.799 14.039 -6.568 1.00 0.00 O ATOM 1565 CB PHE A 101 -0.671 14.190 -5.596 1.00 0.00 C ATOM 1566 CG PHE A 101 0.130 13.323 -4.668 1.00 0.00 C ATOM 1567 CD1 PHE A 101 -0.456 12.241 -4.031 1.00 0.00 C ATOM 1568 CD2 PHE A 101 1.470 13.588 -4.434 1.00 0.00 C ATOM 1569 CE1 PHE A 101 0.279 11.441 -3.176 1.00 0.00 C ATOM 1570 CE2 PHE A 101 2.210 12.792 -3.581 1.00 0.00 C ATOM 1571 CZ PHE A 101 1.614 11.716 -2.952 1.00 0.00 C ATOM 0 H PHE A 101 0.346 13.213 -7.626 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.845 12.480 -6.159 1.00 0.00 H new ATOM 0 HB2 PHE A 101 0.004 14.865 -6.122 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.347 14.810 -5.008 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -1.499 12.020 -4.204 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.941 14.427 -4.924 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.190 10.602 -2.684 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.253 13.011 -3.406 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.191 11.091 -2.286 1.00 0.00 H new ATOM 1581 N GLN A 102 -2.465 15.117 -8.026 1.00 0.00 N ATOM 1582 CA GLN A 102 -3.532 15.964 -8.544 1.00 0.00 C ATOM 1583 C GLN A 102 -4.806 15.158 -8.771 1.00 0.00 C ATOM 1584 O GLN A 102 -5.914 15.661 -8.579 1.00 0.00 O ATOM 1585 CB GLN A 102 -3.095 16.629 -9.851 1.00 0.00 C ATOM 1586 CG GLN A 102 -4.235 17.292 -10.607 1.00 0.00 C ATOM 1587 CD GLN A 102 -3.772 18.461 -11.454 1.00 0.00 C ATOM 1588 OE1 GLN A 102 -3.311 19.477 -10.932 1.00 0.00 O ATOM 1589 NE2 GLN A 102 -3.891 18.323 -12.769 1.00 0.00 N ATOM 0 H GLN A 102 -1.553 15.277 -8.454 1.00 0.00 H new ATOM 0 HA GLN A 102 -3.740 16.736 -7.803 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -2.333 17.376 -9.631 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.632 15.880 -10.493 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.719 16.554 -11.247 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -4.985 17.638 -9.896 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -4.279 17.464 -13.159 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -3.595 19.076 -13.390 1.00 0.00 H new ATOM 1598 N PHE A 103 -4.642 13.905 -9.181 1.00 0.00 N ATOM 1599 CA PHE A 103 -5.780 13.028 -9.435 1.00 0.00 C ATOM 1600 C PHE A 103 -6.467 12.637 -8.130 1.00 0.00 C ATOM 1601 O PHE A 103 -7.695 12.603 -8.049 1.00 0.00 O ATOM 1602 CB PHE A 103 -5.327 11.773 -10.183 1.00 0.00 C ATOM 1603 CG PHE A 103 -5.274 11.949 -11.673 1.00 0.00 C ATOM 1604 CD1 PHE A 103 -4.565 12.998 -12.236 1.00 0.00 C ATOM 1605 CD2 PHE A 103 -5.934 11.066 -12.512 1.00 0.00 C ATOM 1606 CE1 PHE A 103 -4.515 13.164 -13.607 1.00 0.00 C ATOM 1607 CE2 PHE A 103 -5.886 11.225 -13.884 1.00 0.00 C ATOM 1608 CZ PHE A 103 -5.177 12.276 -14.432 1.00 0.00 C ATOM 0 H PHE A 103 -3.732 13.474 -9.345 1.00 0.00 H new ATOM 0 HA PHE A 103 -6.495 13.571 -10.052 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.340 11.483 -9.824 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.006 10.954 -9.946 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.045 13.695 -11.595 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.492 10.244 -12.089 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -3.959 13.987 -14.032 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.403 10.528 -14.527 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.140 12.403 -15.504 1.00 0.00 H new ATOM 1618 N ALA A 104 -5.666 12.341 -7.112 1.00 0.00 N ATOM 1619 CA ALA A 104 -6.196 11.953 -5.811 1.00 0.00 C ATOM 1620 C ALA A 104 -6.248 13.145 -4.862 1.00 0.00 C ATOM 1621 O ALA A 104 -6.296 12.979 -3.642 1.00 0.00 O ATOM 1622 CB ALA A 104 -5.355 10.835 -5.211 1.00 0.00 C ATOM 0 H ALA A 104 -4.648 12.363 -7.163 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.214 11.591 -5.954 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.762 10.555 -4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.372 9.970 -5.875 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.328 11.178 -5.089 1.00 0.00 H new ATOM 1628 N HIS A 105 -6.239 14.347 -5.428 1.00 0.00 N ATOM 1629 CA HIS A 105 -6.286 15.568 -4.632 1.00 0.00 C ATOM 1630 C HIS A 105 -7.682 15.790 -4.058 1.00 0.00 C ATOM 1631 O HIS A 105 -7.844 16.434 -3.021 1.00 0.00 O ATOM 1632 CB HIS A 105 -5.873 16.772 -5.480 1.00 0.00 C ATOM 1633 CG HIS A 105 -5.438 17.954 -4.670 1.00 0.00 C ATOM 1634 ND1 HIS A 105 -5.840 18.163 -3.367 1.00 0.00 N ATOM 1635 CD2 HIS A 105 -4.630 18.994 -4.984 1.00 0.00 C ATOM 1636 CE1 HIS A 105 -5.299 19.281 -2.916 1.00 0.00 C ATOM 1637 NE2 HIS A 105 -4.560 19.804 -3.878 1.00 0.00 N ATOM 0 H HIS A 105 -6.200 14.502 -6.435 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.585 15.459 -3.804 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -5.060 16.477 -6.143 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -6.711 17.064 -6.113 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -6.458 17.550 -2.835 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -4.133 19.156 -5.929 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -5.437 19.697 -1.929 1.00 0.00 H new ATOM 1645 N HIS A 106 -8.689 15.253 -4.741 1.00 0.00 N ATOM 1646 CA HIS A 106 -10.072 15.393 -4.299 1.00 0.00 C ATOM 1647 C HIS A 106 -10.415 14.343 -3.247 1.00 0.00 C ATOM 1648 O HIS A 106 -11.264 14.568 -2.384 1.00 0.00 O ATOM 1649 CB HIS A 106 -11.024 15.269 -5.489 1.00 0.00 C ATOM 1650 CG HIS A 106 -11.080 13.890 -6.071 1.00 0.00 C ATOM 1651 ND1 HIS A 106 -10.027 13.318 -6.754 1.00 0.00 N ATOM 1652 CD2 HIS A 106 -12.069 12.966 -6.067 1.00 0.00 C ATOM 1653 CE1 HIS A 106 -10.367 12.104 -7.147 1.00 0.00 C ATOM 1654 NE2 HIS A 106 -11.602 11.866 -6.742 1.00 0.00 N ATOM 0 H HIS A 106 -8.573 14.718 -5.601 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.187 16.381 -3.852 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -12.026 15.562 -5.174 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -10.715 15.970 -6.265 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -13.044 13.074 -5.616 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -9.742 11.422 -7.704 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -12.124 11.005 -6.905 1.00 0.00 H new ATOM 1662 N LEU A 107 -9.750 13.195 -3.324 1.00 0.00 N ATOM 1663 CA LEU A 107 -9.984 12.110 -2.378 1.00 0.00 C ATOM 1664 C LEU A 107 -9.330 12.408 -1.033 1.00 0.00 C ATOM 1665 O LEU A 107 -8.256 13.009 -0.972 1.00 0.00 O ATOM 1666 CB LEU A 107 -9.445 10.793 -2.939 1.00 0.00 C ATOM 1667 CG LEU A 107 -9.946 10.400 -4.329 1.00 0.00 C ATOM 1668 CD1 LEU A 107 -9.196 9.180 -4.842 1.00 0.00 C ATOM 1669 CD2 LEU A 107 -11.444 10.135 -4.301 1.00 0.00 C ATOM 0 H LEU A 107 -9.044 12.992 -4.032 1.00 0.00 H new ATOM 0 HA LEU A 107 -11.060 12.020 -2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.357 10.853 -2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.700 9.994 -2.243 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.757 11.230 -5.010 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -9.566 8.915 -5.832 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.131 9.406 -4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -9.352 8.344 -4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -11.783 9.857 -5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.657 9.323 -3.606 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.967 11.035 -3.978 1.00 0.00 H new ATOM 1681 N LEU A 108 -9.982 11.984 0.043 1.00 0.00 N ATOM 1682 CA LEU A 108 -9.463 12.203 1.389 1.00 0.00 C ATOM 1683 C LEU A 108 -9.741 10.999 2.283 1.00 0.00 C ATOM 1684 O LEU A 108 -10.287 9.993 1.834 1.00 0.00 O ATOM 1685 CB LEU A 108 -10.086 13.460 1.998 1.00 0.00 C ATOM 1686 CG LEU A 108 -10.108 14.700 1.104 1.00 0.00 C ATOM 1687 CD1 LEU A 108 -11.151 15.693 1.592 1.00 0.00 C ATOM 1688 CD2 LEU A 108 -8.732 15.349 1.058 1.00 0.00 C ATOM 0 H LEU A 108 -10.872 11.486 0.010 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.384 12.337 1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.111 13.229 2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.543 13.705 2.911 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.376 14.390 0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -11.151 16.569 0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.136 15.226 1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -10.915 15.997 2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.766 16.230 0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.435 15.644 2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.008 14.639 0.659 1.00 0.00 H new ATOM 1700 N ASN A 109 -9.363 11.112 3.552 1.00 0.00 N ATOM 1701 CA ASN A 109 -9.574 10.033 4.511 1.00 0.00 C ATOM 1702 C ASN A 109 -10.264 10.550 5.769 1.00 0.00 C ATOM 1703 O ASN A 109 -9.649 11.177 6.632 1.00 0.00 O ATOM 1704 CB ASN A 109 -8.239 9.382 4.879 1.00 0.00 C ATOM 1705 CG ASN A 109 -8.419 8.043 5.567 1.00 0.00 C ATOM 1706 OD1 ASN A 109 -9.442 7.379 5.400 1.00 0.00 O ATOM 1707 ND2 ASN A 109 -7.421 7.639 6.345 1.00 0.00 N ATOM 0 H ASN A 109 -8.909 11.939 3.940 1.00 0.00 H new ATOM 0 HA ASN A 109 -10.219 9.287 4.045 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -7.643 9.246 3.976 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -7.680 10.051 5.533 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -7.484 6.746 6.833 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -6.591 8.222 6.454 1.00 0.00 H new ATOM 1714 N PRO A 110 -11.574 10.281 5.879 1.00 0.00 N ATOM 1715 CA PRO A 110 -12.377 10.708 7.028 1.00 0.00 C ATOM 1716 C PRO A 110 -12.015 9.952 8.302 1.00 0.00 C ATOM 1717 O PRO A 110 -12.572 10.211 9.368 1.00 0.00 O ATOM 1718 CB PRO A 110 -13.810 10.382 6.601 1.00 0.00 C ATOM 1719 CG PRO A 110 -13.667 9.281 5.607 1.00 0.00 C ATOM 1720 CD PRO A 110 -12.371 9.537 4.889 1.00 0.00 C ATOM 0 HA PRO A 110 -12.218 11.759 7.267 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -14.416 10.071 7.452 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -14.300 11.251 6.162 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -13.654 8.309 6.100 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -14.505 9.274 4.910 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.883 8.607 4.597 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -12.524 10.116 3.979 1.00 0.00 H new ATOM 1728 N TRP A 111 -11.079 9.016 8.183 1.00 0.00 N ATOM 1729 CA TRP A 111 -10.643 8.222 9.326 1.00 0.00 C ATOM 1730 C TRP A 111 -9.502 8.913 10.064 1.00 0.00 C ATOM 1731 O TRP A 111 -9.255 8.639 11.238 1.00 0.00 O ATOM 1732 CB TRP A 111 -10.203 6.831 8.868 1.00 0.00 C ATOM 1733 CG TRP A 111 -11.348 5.935 8.506 1.00 0.00 C ATOM 1734 CD1 TRP A 111 -12.578 6.318 8.053 1.00 0.00 C ATOM 1735 CD2 TRP A 111 -11.371 4.504 8.570 1.00 0.00 C ATOM 1736 NE1 TRP A 111 -13.364 5.213 7.831 1.00 0.00 N ATOM 1737 CE2 TRP A 111 -12.646 4.088 8.140 1.00 0.00 C ATOM 1738 CE3 TRP A 111 -10.437 3.535 8.946 1.00 0.00 C ATOM 1739 CZ2 TRP A 111 -13.008 2.745 8.078 1.00 0.00 C ATOM 1740 CZ3 TRP A 111 -10.798 2.203 8.884 1.00 0.00 C ATOM 1741 CH2 TRP A 111 -12.074 1.817 8.452 1.00 0.00 C ATOM 0 H TRP A 111 -10.608 8.789 7.307 1.00 0.00 H new ATOM 0 HA TRP A 111 -11.485 8.121 10.011 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -9.543 6.932 8.006 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -9.621 6.362 9.662 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -12.888 7.340 7.893 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -14.326 5.228 7.491 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -9.451 3.822 9.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -13.991 2.446 7.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -10.084 1.446 9.174 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -12.325 0.767 8.413 1.00 0.00 H new ATOM 1752 N ASN A 112 -8.809 9.809 9.369 1.00 0.00 N ATOM 1753 CA ASN A 112 -7.693 10.538 9.960 1.00 0.00 C ATOM 1754 C ASN A 112 -7.847 12.040 9.741 1.00 0.00 C ATOM 1755 O ASN A 112 -7.318 12.595 8.777 1.00 0.00 O ATOM 1756 CB ASN A 112 -6.369 10.058 9.363 1.00 0.00 C ATOM 1757 CG ASN A 112 -5.166 10.671 10.054 1.00 0.00 C ATOM 1758 OD1 ASN A 112 -4.990 10.525 11.263 1.00 0.00 O ATOM 1759 ND2 ASN A 112 -4.332 11.362 9.286 1.00 0.00 N ATOM 0 H ASN A 112 -9.001 10.048 8.396 1.00 0.00 H new ATOM 0 HA ASN A 112 -7.692 10.343 11.032 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -6.313 8.972 9.437 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -6.341 10.307 8.302 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -3.505 11.798 9.694 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -4.518 11.457 8.288 1.00 0.00 H new ATOM 1766 N ASP A 113 -8.575 12.692 10.641 1.00 0.00 N ATOM 1767 CA ASP A 113 -8.798 14.130 10.547 1.00 0.00 C ATOM 1768 C ASP A 113 -9.137 14.536 9.116 1.00 0.00 C ATOM 1769 O ASP A 113 -8.570 15.485 8.578 1.00 0.00 O ATOM 1770 CB ASP A 113 -7.561 14.892 11.026 1.00 0.00 C ATOM 1771 CG ASP A 113 -7.041 14.375 12.353 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -7.599 14.764 13.401 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -6.077 13.582 12.344 1.00 0.00 O ATOM 0 H ASP A 113 -9.021 12.248 11.444 1.00 0.00 H new ATOM 0 HA ASP A 113 -9.643 14.384 11.187 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.775 14.812 10.275 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -7.804 15.950 11.122 1.00 0.00 H new ATOM 1778 N ASN A 114 -10.066 13.807 8.505 1.00 0.00 N ATOM 1779 CA ASN A 114 -10.480 14.090 7.135 1.00 0.00 C ATOM 1780 C ASN A 114 -9.301 14.584 6.301 1.00 0.00 C ATOM 1781 O ASN A 114 -9.467 15.396 5.391 1.00 0.00 O ATOM 1782 CB ASN A 114 -11.600 15.133 7.123 1.00 0.00 C ATOM 1783 CG ASN A 114 -12.902 14.589 7.677 1.00 0.00 C ATOM 1784 OD1 ASN A 114 -12.906 13.783 8.607 1.00 0.00 O ATOM 1785 ND2 ASN A 114 -14.017 15.028 7.105 1.00 0.00 N ATOM 0 H ASN A 114 -10.546 13.017 8.936 1.00 0.00 H new ATOM 0 HA ASN A 114 -10.850 13.164 6.696 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -11.293 15.999 7.709 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -11.759 15.479 6.102 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -14.924 14.697 7.434 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -13.967 15.697 6.336 1.00 0.00 H new ATOM 1792 N LYS A 115 -8.110 14.087 6.618 1.00 0.00 N ATOM 1793 CA LYS A 115 -6.903 14.474 5.899 1.00 0.00 C ATOM 1794 C LYS A 115 -6.834 13.784 4.540 1.00 0.00 C ATOM 1795 O LYS A 115 -7.300 12.656 4.381 1.00 0.00 O ATOM 1796 CB LYS A 115 -5.661 14.128 6.722 1.00 0.00 C ATOM 1797 CG LYS A 115 -5.271 15.206 7.718 1.00 0.00 C ATOM 1798 CD LYS A 115 -4.735 16.444 7.019 1.00 0.00 C ATOM 1799 CE LYS A 115 -4.928 17.691 7.867 1.00 0.00 C ATOM 1800 NZ LYS A 115 -3.853 17.840 8.887 1.00 0.00 N ATOM 0 H LYS A 115 -7.955 13.415 7.369 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.936 15.552 5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -5.839 13.196 7.259 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.825 13.951 6.045 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.137 15.475 8.322 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -4.515 14.816 8.400 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.675 16.311 6.803 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.242 16.571 6.063 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -4.941 18.570 7.223 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -5.897 17.646 8.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -4.020 18.702 9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -3.856 17.013 9.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -2.931 17.909 8.412 1.00 0.00 H new ATOM 1814 N LYS A 116 -6.249 14.469 3.563 1.00 0.00 N ATOM 1815 CA LYS A 116 -6.116 13.921 2.218 1.00 0.00 C ATOM 1816 C LYS A 116 -5.378 12.587 2.245 1.00 0.00 C ATOM 1817 O LYS A 116 -4.464 12.387 3.045 1.00 0.00 O ATOM 1818 CB LYS A 116 -5.374 14.909 1.315 1.00 0.00 C ATOM 1819 CG LYS A 116 -4.967 14.319 -0.025 1.00 0.00 C ATOM 1820 CD LYS A 116 -5.027 15.358 -1.132 1.00 0.00 C ATOM 1821 CE LYS A 116 -4.024 16.478 -0.902 1.00 0.00 C ATOM 1822 NZ LYS A 116 -4.614 17.600 -0.122 1.00 0.00 N ATOM 0 H LYS A 116 -5.859 15.405 3.677 1.00 0.00 H new ATOM 0 HA LYS A 116 -7.117 13.754 1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -6.009 15.778 1.142 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -4.483 15.263 1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.956 13.918 0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -5.624 13.485 -0.271 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -4.827 14.881 -2.091 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -6.033 15.775 -1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.156 16.085 -0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -3.669 16.851 -1.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -4.181 18.497 -0.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.640 17.638 -0.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -4.435 17.450 0.891 1.00 0.00 H new ATOM 1836 N VAL A 117 -5.779 11.676 1.363 1.00 0.00 N ATOM 1837 CA VAL A 117 -5.154 10.361 1.284 1.00 0.00 C ATOM 1838 C VAL A 117 -3.635 10.477 1.236 1.00 0.00 C ATOM 1839 O VAL A 117 -2.925 9.737 1.916 1.00 0.00 O ATOM 1840 CB VAL A 117 -5.638 9.584 0.045 1.00 0.00 C ATOM 1841 CG1 VAL A 117 -5.389 8.093 0.220 1.00 0.00 C ATOM 1842 CG2 VAL A 117 -7.112 9.859 -0.214 1.00 0.00 C ATOM 0 H VAL A 117 -6.534 11.825 0.693 1.00 0.00 H new ATOM 0 HA VAL A 117 -5.446 9.817 2.182 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.070 9.925 -0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.737 7.560 -0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.322 7.916 0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -5.929 7.734 1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.437 9.302 -1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.698 9.547 0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -7.258 10.925 -0.386 1.00 0.00 H new ATOM 1852 N GLN A 118 -3.143 11.411 0.427 1.00 0.00 N ATOM 1853 CA GLN A 118 -1.707 11.623 0.291 1.00 0.00 C ATOM 1854 C GLN A 118 -1.080 11.983 1.633 1.00 0.00 C ATOM 1855 O GLN A 118 0.118 11.788 1.842 1.00 0.00 O ATOM 1856 CB GLN A 118 -1.429 12.729 -0.729 1.00 0.00 C ATOM 1857 CG GLN A 118 -1.346 14.117 -0.113 1.00 0.00 C ATOM 1858 CD GLN A 118 0.062 14.485 0.309 1.00 0.00 C ATOM 1859 OE1 GLN A 118 0.911 13.615 0.508 1.00 0.00 O ATOM 1860 NE2 GLN A 118 0.319 15.781 0.449 1.00 0.00 N ATOM 0 H GLN A 118 -3.717 12.032 -0.143 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.259 10.693 -0.060 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -0.492 12.512 -1.242 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -2.215 12.722 -1.484 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -1.709 14.852 -0.832 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -2.005 14.166 0.754 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -0.414 16.468 0.274 1.00 0.00 H new ATOM 0 HE22 GLN A 118 1.249 16.089 0.732 1.00 0.00 H new ATOM 1869 N ILE A 119 -1.896 12.510 2.540 1.00 0.00 N ATOM 1870 CA ILE A 119 -1.421 12.896 3.863 1.00 0.00 C ATOM 1871 C ILE A 119 -1.471 11.719 4.830 1.00 0.00 C ATOM 1872 O ILE A 119 -2.206 11.744 5.817 1.00 0.00 O ATOM 1873 CB ILE A 119 -2.250 14.058 4.442 1.00 0.00 C ATOM 1874 CG1 ILE A 119 -2.276 15.233 3.462 1.00 0.00 C ATOM 1875 CG2 ILE A 119 -1.684 14.494 5.785 1.00 0.00 C ATOM 1876 CD1 ILE A 119 -3.184 16.361 3.895 1.00 0.00 C ATOM 0 H ILE A 119 -2.889 12.679 2.383 1.00 0.00 H new ATOM 0 HA ILE A 119 -0.388 13.222 3.745 1.00 0.00 H new ATOM 0 HB ILE A 119 -3.273 13.714 4.595 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -1.263 15.618 3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -2.598 14.873 2.485 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -2.280 15.316 6.182 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -1.713 13.656 6.481 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.653 14.823 5.656 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -3.152 17.159 3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -4.205 15.991 3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -2.850 16.748 4.858 1.00 0.00 H new ATOM 1888 N SER A 120 -0.683 10.688 4.541 1.00 0.00 N ATOM 1889 CA SER A 120 -0.639 9.499 5.385 1.00 0.00 C ATOM 1890 C SER A 120 0.792 8.992 5.534 1.00 0.00 C ATOM 1891 O SER A 120 1.615 9.150 4.633 1.00 0.00 O ATOM 1892 CB SER A 120 -1.524 8.398 4.798 1.00 0.00 C ATOM 1893 OG SER A 120 -2.850 8.493 5.289 1.00 0.00 O ATOM 0 H SER A 120 -0.067 10.652 3.729 1.00 0.00 H new ATOM 0 HA SER A 120 -1.015 9.770 6.372 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.529 8.473 3.711 1.00 0.00 H new ATOM 0 HB3 SER A 120 -1.109 7.422 5.048 1.00 0.00 H new ATOM 0 HG SER A 120 -3.110 7.640 5.696 1.00 0.00 H new ATOM 1899 N ARG A 121 1.080 8.381 6.679 1.00 0.00 N ATOM 1900 CA ARG A 121 2.411 7.851 6.948 1.00 0.00 C ATOM 1901 C ARG A 121 2.429 6.332 6.811 1.00 0.00 C ATOM 1902 O ARG A 121 1.380 5.691 6.757 1.00 0.00 O ATOM 1903 CB ARG A 121 2.869 8.253 8.352 1.00 0.00 C ATOM 1904 CG ARG A 121 2.019 7.659 9.463 1.00 0.00 C ATOM 1905 CD ARG A 121 2.676 7.837 10.823 1.00 0.00 C ATOM 1906 NE ARG A 121 2.278 9.088 11.462 1.00 0.00 N ATOM 1907 CZ ARG A 121 2.890 9.596 12.527 1.00 0.00 C ATOM 1908 NH1 ARG A 121 3.922 8.963 13.067 1.00 0.00 N ATOM 1909 NH2 ARG A 121 2.470 10.740 13.052 1.00 0.00 N ATOM 0 H ARG A 121 0.409 8.241 7.435 1.00 0.00 H new ATOM 0 HA ARG A 121 3.098 8.273 6.214 1.00 0.00 H new ATOM 0 HB2 ARG A 121 3.904 7.940 8.491 1.00 0.00 H new ATOM 0 HB3 ARG A 121 2.851 9.340 8.434 1.00 0.00 H new ATOM 0 HG2 ARG A 121 1.038 8.135 9.466 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.858 6.598 9.272 1.00 0.00 H new ATOM 0 HD2 ARG A 121 2.409 6.999 11.467 1.00 0.00 H new ATOM 0 HD3 ARG A 121 3.760 7.817 10.708 1.00 0.00 H new ATOM 0 HE ARG A 121 1.488 9.600 11.070 1.00 0.00 H new ATOM 0 HH11 ARG A 121 4.248 8.084 12.665 1.00 0.00 H new ATOM 0 HH12 ARG A 121 4.390 9.355 13.884 1.00 0.00 H new ATOM 0 HH21 ARG A 121 1.677 11.230 12.638 1.00 0.00 H new ATOM 0 HH22 ARG A 121 2.940 11.129 13.869 1.00 0.00 H new ATOM 1923 N ASP A 122 3.628 5.763 6.755 1.00 0.00 N ATOM 1924 CA ASP A 122 3.784 4.318 6.625 1.00 0.00 C ATOM 1925 C ASP A 122 3.028 3.588 7.730 1.00 0.00 C ATOM 1926 O ASP A 122 3.121 3.949 8.903 1.00 0.00 O ATOM 1927 CB ASP A 122 5.265 3.938 6.665 1.00 0.00 C ATOM 1928 CG ASP A 122 5.831 3.965 8.071 1.00 0.00 C ATOM 1929 OD1 ASP A 122 5.539 3.030 8.847 1.00 0.00 O ATOM 1930 OD2 ASP A 122 6.566 4.920 8.396 1.00 0.00 O ATOM 0 H ASP A 122 4.506 6.280 6.798 1.00 0.00 H new ATOM 0 HA ASP A 122 3.366 4.017 5.664 1.00 0.00 H new ATOM 0 HB2 ASP A 122 5.393 2.941 6.244 1.00 0.00 H new ATOM 0 HB3 ASP A 122 5.831 4.625 6.035 1.00 0.00 H new ATOM 1935 N GLY A 123 2.277 2.560 7.348 1.00 0.00 N ATOM 1936 CA GLY A 123 1.515 1.796 8.318 1.00 0.00 C ATOM 1937 C GLY A 123 0.311 2.557 8.838 1.00 0.00 C ATOM 1938 O GLY A 123 -0.038 2.449 10.013 1.00 0.00 O ATOM 0 H GLY A 123 2.183 2.242 6.383 1.00 0.00 H new ATOM 0 HA2 GLY A 123 1.182 0.864 7.862 1.00 0.00 H new ATOM 0 HA3 GLY A 123 2.161 1.529 9.154 1.00 0.00 H new ATOM 1942 N GLN A 124 -0.323 3.329 7.962 1.00 0.00 N ATOM 1943 CA GLN A 124 -1.492 4.113 8.341 1.00 0.00 C ATOM 1944 C GLN A 124 -2.762 3.521 7.739 1.00 0.00 C ATOM 1945 O GLN A 124 -2.826 3.254 6.539 1.00 0.00 O ATOM 1946 CB GLN A 124 -1.328 5.565 7.889 1.00 0.00 C ATOM 1947 CG GLN A 124 -2.340 6.514 8.510 1.00 0.00 C ATOM 1948 CD GLN A 124 -3.737 6.322 7.953 1.00 0.00 C ATOM 1949 OE1 GLN A 124 -3.910 5.886 6.815 1.00 0.00 O ATOM 1950 NE2 GLN A 124 -4.744 6.648 8.755 1.00 0.00 N ATOM 0 H GLN A 124 -0.047 3.428 6.985 1.00 0.00 H new ATOM 0 HA GLN A 124 -1.579 4.086 9.427 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -0.323 5.904 8.141 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -1.418 5.611 6.804 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -2.359 6.363 9.589 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -2.022 7.542 8.337 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -4.555 7.006 9.691 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -5.706 6.540 8.435 1.00 0.00 H new ATOM 1959 N GLU A 125 -3.771 3.318 8.580 1.00 0.00 N ATOM 1960 CA GLU A 125 -5.040 2.756 8.130 1.00 0.00 C ATOM 1961 C GLU A 125 -5.749 3.712 7.175 1.00 0.00 C ATOM 1962 O GLU A 125 -5.991 4.873 7.507 1.00 0.00 O ATOM 1963 CB GLU A 125 -5.942 2.451 9.328 1.00 0.00 C ATOM 1964 CG GLU A 125 -6.887 1.285 9.096 1.00 0.00 C ATOM 1965 CD GLU A 125 -7.349 0.642 10.389 1.00 0.00 C ATOM 1966 OE1 GLU A 125 -7.610 1.384 11.360 1.00 0.00 O ATOM 1967 OE2 GLU A 125 -7.450 -0.602 10.432 1.00 0.00 O ATOM 0 H GLU A 125 -3.735 3.534 9.576 1.00 0.00 H new ATOM 0 HA GLU A 125 -4.830 1.828 7.598 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -5.319 2.236 10.196 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -6.526 3.339 9.568 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -7.756 1.632 8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -6.390 0.536 8.480 1.00 0.00 H new ATOM 1974 N LEU A 126 -6.080 3.216 5.989 1.00 0.00 N ATOM 1975 CA LEU A 126 -6.762 4.024 4.984 1.00 0.00 C ATOM 1976 C LEU A 126 -8.200 3.554 4.791 1.00 0.00 C ATOM 1977 O LEU A 126 -8.450 2.371 4.559 1.00 0.00 O ATOM 1978 CB LEU A 126 -6.010 3.962 3.654 1.00 0.00 C ATOM 1979 CG LEU A 126 -6.508 4.902 2.556 1.00 0.00 C ATOM 1980 CD1 LEU A 126 -6.279 6.352 2.949 1.00 0.00 C ATOM 1981 CD2 LEU A 126 -5.821 4.590 1.234 1.00 0.00 C ATOM 0 H LEU A 126 -5.887 2.257 5.699 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.781 5.056 5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -4.959 4.182 3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.059 2.940 3.279 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.580 4.747 2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.640 7.006 2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -6.819 6.569 3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.214 6.523 3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.188 5.269 0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.744 4.715 1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.039 3.562 0.945 1.00 0.00 H new ATOM 1993 N GLU A 127 -9.141 4.488 4.885 1.00 0.00 N ATOM 1994 CA GLU A 127 -10.554 4.168 4.719 1.00 0.00 C ATOM 1995 C GLU A 127 -10.798 3.456 3.391 1.00 0.00 C ATOM 1996 O GLU A 127 -10.209 3.789 2.362 1.00 0.00 O ATOM 1997 CB GLU A 127 -11.400 5.441 4.791 1.00 0.00 C ATOM 1998 CG GLU A 127 -12.893 5.187 4.666 1.00 0.00 C ATOM 1999 CD GLU A 127 -13.678 6.452 4.380 1.00 0.00 C ATOM 2000 OE1 GLU A 127 -13.232 7.247 3.526 1.00 0.00 O ATOM 2001 OE2 GLU A 127 -14.738 6.647 5.010 1.00 0.00 O ATOM 0 H GLU A 127 -8.951 5.472 5.075 1.00 0.00 H new ATOM 0 HA GLU A 127 -10.847 3.500 5.529 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -11.204 5.945 5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -11.088 6.120 3.998 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -13.069 4.466 3.868 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -13.260 4.737 5.589 1.00 0.00 H new ATOM 2008 N PRO A 128 -11.687 2.452 3.413 1.00 0.00 N ATOM 2009 CA PRO A 128 -12.030 1.673 2.220 1.00 0.00 C ATOM 2010 C PRO A 128 -12.826 2.486 1.205 1.00 0.00 C ATOM 2011 O PRO A 128 -12.581 2.403 0.002 1.00 0.00 O ATOM 2012 CB PRO A 128 -12.883 0.530 2.777 1.00 0.00 C ATOM 2013 CG PRO A 128 -13.462 1.069 4.039 1.00 0.00 C ATOM 2014 CD PRO A 128 -12.427 2.002 4.604 1.00 0.00 C ATOM 0 HA PRO A 128 -11.143 1.339 1.682 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -13.665 0.241 2.075 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -12.280 -0.358 2.966 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -14.397 1.594 3.846 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -13.687 0.265 4.740 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -12.885 2.838 5.132 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -11.774 1.495 5.315 1.00 0.00 H new ATOM 2022 N GLN A 129 -13.778 3.271 1.699 1.00 0.00 N ATOM 2023 CA GLN A 129 -14.610 4.099 0.833 1.00 0.00 C ATOM 2024 C GLN A 129 -13.750 4.960 -0.086 1.00 0.00 C ATOM 2025 O GLN A 129 -14.071 5.145 -1.260 1.00 0.00 O ATOM 2026 CB GLN A 129 -15.529 4.988 1.672 1.00 0.00 C ATOM 2027 CG GLN A 129 -16.833 5.343 0.976 1.00 0.00 C ATOM 2028 CD GLN A 129 -17.442 6.629 1.499 1.00 0.00 C ATOM 2029 OE1 GLN A 129 -18.275 6.611 2.406 1.00 0.00 O ATOM 2030 NE2 GLN A 129 -17.028 7.755 0.930 1.00 0.00 N ATOM 0 H GLN A 129 -13.992 3.351 2.693 1.00 0.00 H new ATOM 0 HA GLN A 129 -15.219 3.438 0.216 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -15.754 4.481 2.610 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -15.000 5.907 1.925 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -16.654 5.439 -0.095 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -17.545 4.528 1.108 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -16.336 7.724 0.181 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -17.402 8.651 1.242 1.00 0.00 H new ATOM 2039 N VAL A 130 -12.655 5.485 0.455 1.00 0.00 N ATOM 2040 CA VAL A 130 -11.749 6.326 -0.316 1.00 0.00 C ATOM 2041 C VAL A 130 -10.606 5.507 -0.906 1.00 0.00 C ATOM 2042 O VAL A 130 -10.067 5.842 -1.960 1.00 0.00 O ATOM 2043 CB VAL A 130 -11.161 7.458 0.548 1.00 0.00 C ATOM 2044 CG1 VAL A 130 -12.270 8.223 1.253 1.00 0.00 C ATOM 2045 CG2 VAL A 130 -10.166 6.897 1.554 1.00 0.00 C ATOM 0 H VAL A 130 -12.374 5.342 1.425 1.00 0.00 H new ATOM 0 HA VAL A 130 -12.335 6.763 -1.125 1.00 0.00 H new ATOM 0 HB VAL A 130 -10.632 8.153 -0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -11.835 9.018 1.858 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -12.941 8.657 0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -12.830 7.543 1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -9.760 7.710 2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -10.670 6.181 2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -9.355 6.398 1.024 1.00 0.00 H new ATOM 2055 N GLY A 131 -10.242 4.428 -0.219 1.00 0.00 N ATOM 2056 CA GLY A 131 -9.166 3.576 -0.690 1.00 0.00 C ATOM 2057 C GLY A 131 -9.545 2.800 -1.936 1.00 0.00 C ATOM 2058 O GLY A 131 -8.678 2.286 -2.642 1.00 0.00 O ATOM 0 H GLY A 131 -10.673 4.129 0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -8.288 4.187 -0.899 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -8.888 2.877 0.099 1.00 0.00 H new ATOM 2062 N GLU A 132 -10.844 2.712 -2.204 1.00 0.00 N ATOM 2063 CA GLU A 132 -11.335 1.989 -3.372 1.00 0.00 C ATOM 2064 C GLU A 132 -11.398 2.905 -4.592 1.00 0.00 C ATOM 2065 O GLU A 132 -10.988 2.523 -5.688 1.00 0.00 O ATOM 2066 CB GLU A 132 -12.719 1.400 -3.091 1.00 0.00 C ATOM 2067 CG GLU A 132 -13.828 2.438 -3.067 1.00 0.00 C ATOM 2068 CD GLU A 132 -15.194 1.826 -2.825 1.00 0.00 C ATOM 2069 OE1 GLU A 132 -15.452 0.722 -3.349 1.00 0.00 O ATOM 2070 OE2 GLU A 132 -16.006 2.452 -2.111 1.00 0.00 O ATOM 0 H GLU A 132 -11.575 3.132 -1.629 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.639 1.177 -3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -12.948 0.653 -3.851 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -12.697 0.882 -2.132 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -13.619 3.170 -2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -13.838 2.976 -4.015 1.00 0.00 H new ATOM 2077 N GLN A 133 -11.914 4.113 -4.391 1.00 0.00 N ATOM 2078 CA GLN A 133 -12.032 5.082 -5.474 1.00 0.00 C ATOM 2079 C GLN A 133 -10.672 5.678 -5.821 1.00 0.00 C ATOM 2080 O GLN A 133 -10.529 6.383 -6.821 1.00 0.00 O ATOM 2081 CB GLN A 133 -13.007 6.195 -5.087 1.00 0.00 C ATOM 2082 CG GLN A 133 -12.614 6.933 -3.817 1.00 0.00 C ATOM 2083 CD GLN A 133 -13.688 7.892 -3.343 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -14.774 7.960 -3.920 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -13.391 8.639 -2.286 1.00 0.00 N ATOM 0 H GLN A 133 -12.257 4.444 -3.489 1.00 0.00 H new ATOM 0 HA GLN A 133 -12.415 4.563 -6.352 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -13.073 6.910 -5.907 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -14.001 5.767 -4.956 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -12.406 6.208 -3.030 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -11.691 7.485 -3.993 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -12.479 8.550 -1.839 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -14.075 9.302 -1.921 1.00 0.00 H new ATOM 2094 N LEU A 134 -9.677 5.392 -4.990 1.00 0.00 N ATOM 2095 CA LEU A 134 -8.327 5.900 -5.209 1.00 0.00 C ATOM 2096 C LEU A 134 -7.566 5.020 -6.195 1.00 0.00 C ATOM 2097 O LEU A 134 -6.705 5.498 -6.935 1.00 0.00 O ATOM 2098 CB LEU A 134 -7.568 5.975 -3.883 1.00 0.00 C ATOM 2099 CG LEU A 134 -6.044 6.055 -3.986 1.00 0.00 C ATOM 2100 CD1 LEU A 134 -5.608 7.458 -4.377 1.00 0.00 C ATOM 2101 CD2 LEU A 134 -5.398 5.641 -2.671 1.00 0.00 C ATOM 0 H LEU A 134 -9.779 4.811 -4.158 1.00 0.00 H new ATOM 0 HA LEU A 134 -8.407 6.901 -5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -7.921 6.848 -3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -7.827 5.098 -3.289 1.00 0.00 H new ATOM 0 HG LEU A 134 -5.715 5.365 -4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -4.521 7.495 -4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -6.041 7.718 -5.343 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -5.949 8.168 -3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -4.314 5.704 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -5.734 6.306 -1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -5.683 4.616 -2.432 1.00 0.00 H new ATOM 2113 N LEU A 135 -7.891 3.732 -6.202 1.00 0.00 N ATOM 2114 CA LEU A 135 -7.240 2.783 -7.099 1.00 0.00 C ATOM 2115 C LEU A 135 -7.799 2.901 -8.514 1.00 0.00 C ATOM 2116 O LEU A 135 -7.047 2.924 -9.488 1.00 0.00 O ATOM 2117 CB LEU A 135 -7.423 1.355 -6.583 1.00 0.00 C ATOM 2118 CG LEU A 135 -6.889 1.075 -5.178 1.00 0.00 C ATOM 2119 CD1 LEU A 135 -6.989 -0.407 -4.854 1.00 0.00 C ATOM 2120 CD2 LEU A 135 -5.451 1.556 -5.048 1.00 0.00 C ATOM 0 H LEU A 135 -8.601 3.321 -5.597 1.00 0.00 H new ATOM 0 HA LEU A 135 -6.176 3.018 -7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -8.487 1.118 -6.600 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.933 0.673 -7.278 1.00 0.00 H new ATOM 0 HG LEU A 135 -7.501 1.624 -4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -6.604 -0.587 -3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -8.032 -0.721 -4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -6.403 -0.977 -5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -5.088 1.349 -4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -4.826 1.036 -5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -5.408 2.629 -5.235 1.00 0.00 H new ATOM 2132 N GLN A 136 -9.121 2.976 -8.618 1.00 0.00 N ATOM 2133 CA GLN A 136 -9.780 3.093 -9.913 1.00 0.00 C ATOM 2134 C GLN A 136 -9.194 4.248 -10.720 1.00 0.00 C ATOM 2135 O GLN A 136 -9.341 4.303 -11.941 1.00 0.00 O ATOM 2136 CB GLN A 136 -11.285 3.297 -9.728 1.00 0.00 C ATOM 2137 CG GLN A 136 -11.633 4.462 -8.816 1.00 0.00 C ATOM 2138 CD GLN A 136 -11.700 5.783 -9.557 1.00 0.00 C ATOM 2139 OE1 GLN A 136 -10.930 6.703 -9.280 1.00 0.00 O ATOM 2140 NE2 GLN A 136 -12.624 5.884 -10.505 1.00 0.00 N ATOM 0 H GLN A 136 -9.757 2.958 -7.821 1.00 0.00 H new ATOM 0 HA GLN A 136 -9.611 2.167 -10.462 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -11.744 3.460 -10.703 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -11.720 2.384 -9.320 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -12.593 4.269 -8.337 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -10.889 4.532 -8.022 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -13.241 5.096 -10.701 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -12.716 6.749 -11.037 1.00 0.00 H new ATOM 2149 N LEU A 137 -8.531 5.168 -10.029 1.00 0.00 N ATOM 2150 CA LEU A 137 -7.922 6.323 -10.681 1.00 0.00 C ATOM 2151 C LEU A 137 -6.892 5.883 -11.716 1.00 0.00 C ATOM 2152 O LEU A 137 -6.785 6.476 -12.790 1.00 0.00 O ATOM 2153 CB LEU A 137 -7.263 7.231 -9.641 1.00 0.00 C ATOM 2154 CG LEU A 137 -8.209 8.108 -8.820 1.00 0.00 C ATOM 2155 CD1 LEU A 137 -7.454 8.800 -7.696 1.00 0.00 C ATOM 2156 CD2 LEU A 137 -8.897 9.131 -9.712 1.00 0.00 C ATOM 0 H LEU A 137 -8.401 5.137 -9.018 1.00 0.00 H new ATOM 0 HA LEU A 137 -8.708 6.878 -11.192 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -6.690 6.608 -8.955 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -6.551 7.879 -10.153 1.00 0.00 H new ATOM 0 HG LEU A 137 -8.973 7.469 -8.377 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -8.143 9.420 -7.122 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -7.009 8.051 -7.041 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -6.668 9.426 -8.117 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -9.566 9.746 -9.111 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -8.147 9.765 -10.184 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -9.471 8.615 -10.481 1.00 0.00 H new ATOM 2168 N TRP A 138 -6.137 4.841 -11.386 1.00 0.00 N ATOM 2169 CA TRP A 138 -5.116 4.321 -12.288 1.00 0.00 C ATOM 2170 C TRP A 138 -5.704 4.028 -13.664 1.00 0.00 C ATOM 2171 O TRP A 138 -4.994 4.048 -14.669 1.00 0.00 O ATOM 2172 CB TRP A 138 -4.490 3.053 -11.706 1.00 0.00 C ATOM 2173 CG TRP A 138 -3.263 3.318 -10.887 1.00 0.00 C ATOM 2174 CD1 TRP A 138 -1.965 3.192 -11.291 1.00 0.00 C ATOM 2175 CD2 TRP A 138 -3.221 3.752 -9.523 1.00 0.00 C ATOM 2176 NE1 TRP A 138 -1.118 3.521 -10.261 1.00 0.00 N ATOM 2177 CE2 TRP A 138 -1.863 3.870 -9.166 1.00 0.00 C ATOM 2178 CE3 TRP A 138 -4.197 4.056 -8.570 1.00 0.00 C ATOM 2179 CZ2 TRP A 138 -1.461 4.276 -7.896 1.00 0.00 C ATOM 2180 CZ3 TRP A 138 -3.796 4.459 -7.311 1.00 0.00 C ATOM 2181 CH2 TRP A 138 -2.437 4.567 -6.983 1.00 0.00 C ATOM 0 H TRP A 138 -6.213 4.340 -10.501 1.00 0.00 H new ATOM 0 HA TRP A 138 -4.343 5.081 -12.399 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -5.228 2.543 -11.087 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -4.235 2.375 -12.521 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -1.650 2.880 -12.276 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -0.099 3.508 -10.305 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -5.246 3.977 -8.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -0.415 4.358 -7.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -4.542 4.695 -6.567 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -2.155 4.886 -5.990 1.00 0.00 H new ATOM 2192 N GLU A 139 -7.005 3.755 -13.701 1.00 0.00 N ATOM 2193 CA GLU A 139 -7.686 3.457 -14.955 1.00 0.00 C ATOM 2194 C GLU A 139 -7.897 4.726 -15.775 1.00 0.00 C ATOM 2195 O GLU A 139 -7.905 4.689 -17.006 1.00 0.00 O ATOM 2196 CB GLU A 139 -9.033 2.783 -14.682 1.00 0.00 C ATOM 2197 CG GLU A 139 -8.912 1.326 -14.267 1.00 0.00 C ATOM 2198 CD GLU A 139 -8.959 0.377 -15.449 1.00 0.00 C ATOM 2199 OE1 GLU A 139 -8.421 0.735 -16.518 1.00 0.00 O ATOM 2200 OE2 GLU A 139 -9.534 -0.722 -15.306 1.00 0.00 O ATOM 0 H GLU A 139 -7.607 3.734 -12.878 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.056 2.776 -15.528 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -9.553 3.333 -13.898 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -9.650 2.847 -15.578 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -7.976 1.182 -13.727 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -9.719 1.081 -13.576 1.00 0.00 H new ATOM 2207 N ARG A 140 -8.069 5.848 -15.084 1.00 0.00 N ATOM 2208 CA ARG A 140 -8.282 7.129 -15.747 1.00 0.00 C ATOM 2209 C ARG A 140 -7.038 7.553 -16.523 1.00 0.00 C ATOM 2210 O ARG A 140 -7.119 8.347 -17.461 1.00 0.00 O ATOM 2211 CB ARG A 140 -8.647 8.204 -14.722 1.00 0.00 C ATOM 2212 CG ARG A 140 -9.982 7.963 -14.037 1.00 0.00 C ATOM 2213 CD ARG A 140 -10.621 9.268 -13.588 1.00 0.00 C ATOM 2214 NE ARG A 140 -11.768 9.044 -12.713 1.00 0.00 N ATOM 2215 CZ ARG A 140 -12.493 10.024 -12.185 1.00 0.00 C ATOM 2216 NH1 ARG A 140 -12.192 11.289 -12.444 1.00 0.00 N ATOM 2217 NH2 ARG A 140 -13.523 9.739 -11.398 1.00 0.00 N ATOM 0 H ARG A 140 -8.065 5.896 -14.065 1.00 0.00 H new ATOM 0 HA ARG A 140 -9.106 7.013 -16.450 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -7.864 8.254 -13.966 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -8.673 9.174 -15.219 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -10.654 7.444 -14.720 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -9.838 7.312 -13.175 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -9.880 9.874 -13.066 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -10.938 9.836 -14.463 1.00 0.00 H new ATOM 0 HE ARG A 140 -12.027 8.082 -12.495 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -11.402 11.512 -13.050 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -12.750 12.040 -12.037 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -13.758 8.767 -11.198 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -14.079 10.492 -10.993 1.00 0.00 H new ATOM 2231 N LEU A 141 -5.889 7.018 -16.126 1.00 0.00 N ATOM 2232 CA LEU A 141 -4.627 7.341 -16.784 1.00 0.00 C ATOM 2233 C LEU A 141 -4.604 6.803 -18.211 1.00 0.00 C ATOM 2234 O LEU A 141 -3.592 6.899 -18.905 1.00 0.00 O ATOM 2235 CB LEU A 141 -3.453 6.765 -15.990 1.00 0.00 C ATOM 2236 CG LEU A 141 -3.463 7.037 -14.485 1.00 0.00 C ATOM 2237 CD1 LEU A 141 -2.398 6.207 -13.786 1.00 0.00 C ATOM 2238 CD2 LEU A 141 -3.253 8.519 -14.210 1.00 0.00 C ATOM 0 H LEU A 141 -5.805 6.359 -15.352 1.00 0.00 H new ATOM 0 HA LEU A 141 -4.533 8.426 -16.823 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -3.431 5.686 -16.144 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.528 7.165 -16.405 1.00 0.00 H new ATOM 0 HG LEU A 141 -4.437 6.749 -14.089 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -2.420 6.414 -12.716 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -2.593 5.148 -13.955 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -1.417 6.464 -14.185 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -3.263 8.694 -13.134 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -2.293 8.833 -14.620 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -4.052 9.093 -14.679 1.00 0.00 H new TER 2250 LEU A 141