USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1084 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 101 TYR OH : rot 156:sc= -1.4 USER MOD Set 1.2: A 116 THR OG1 : rot -138:sc= 1.49 USER MOD Set 2.1: A 91 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 95 ASN : amide:sc= -1.34 K(o=-1.3,f=-2.5!) USER MOD Set 3.1: A 85 TYR OH : rot 7:sc= -4.95! USER MOD Set 3.2: A 137 GLN : amide:sc= -5.17! C(o=-10!,f=-11!) USER MOD Set 4.1: A 1 MET N :NH3+ 144:sc= -1.12 (180deg=-2.09!) USER MOD Set 4.2: A 84 GLN : amide:sc= -1.73 K(o=-2.9,f=-3.6) USER MOD Set 5.1: A 63 ASN : amide:sc= 1.01 K(o=2.3,f=-6.2!) USER MOD Set 5.2: A 83 LYS NZ :NH3+ -146:sc= 1.27 (180deg=0) USER MOD Single : A 1 MET CE :methyl -125:sc= -1.2 (180deg=-6.61!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot -7:sc= -1.15 USER MOD Single : A 11 SER OG : rot -170:sc= 0.0105 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 169:sc= -0.967 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc=-0.00721 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 MET CE :methyl -124:sc= -7.78! (180deg=-17.6!) USER MOD Single : A 41 THR OG1 : rot -25:sc= 0.616 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 70:sc= -5.11! USER MOD Single : A 57 GLN : amide:sc= -0.0145 K(o=-0.015,f=-1.4) USER MOD Single : A 58 SER OG : rot 180:sc= -0.127 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -4.36! C(o=-4.4!,f=-9.2!) USER MOD Single : A 69 TYR OH : rot 117:sc= 0.209 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -150:sc= -2.03 USER MOD Single : A 81 THR OG1 : rot -172:sc= -1.03! USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -6.24! C(o=-6.2!,f=-5.8!) USER MOD Single : A 107 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00144) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -0.62 K(o=-0.62,f=-4.7!) USER MOD Single : A 121 LYS NZ :NH3+ 140:sc= 1.13 (180deg=-0.907) USER MOD Single : A 122 MET CE :methyl 180:sc= -8.55! (180deg=-8.55!) USER MOD Single : A 123 LYS NZ :NH3+ -142:sc= -1.64 (180deg=-3.81!) USER MOD Single : A 124 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.56) USER MOD Single : A 127 THR OG1 : rot 101:sc= 1.22 USER MOD Single : A 128 TYR OH : rot 30:sc= -0.846 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ -123:sc= 0.707 (180deg=0.156) USER MOD Single : A 132 TYR OH : rot 30:sc= -0.455 USER MOD Single : A 133 GLN : amide:sc= -1.57 X(o=-1.6,f=-1.7!) USER MOD Single : A 136 SER OG : rot -46:sc= 0.338 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.523 12.658 1.575 1.00 0.00 N ATOM 2 CA MET A 1 -9.347 13.012 2.413 1.00 0.00 C ATOM 3 C MET A 1 -9.085 11.949 3.473 1.00 0.00 C ATOM 4 O MET A 1 -8.779 12.267 4.622 1.00 0.00 O ATOM 5 CB MET A 1 -9.611 14.365 3.079 1.00 0.00 C ATOM 6 CG MET A 1 -9.258 15.556 2.202 1.00 0.00 C ATOM 7 SD MET A 1 -9.626 17.133 2.994 1.00 0.00 S ATOM 8 CE MET A 1 -8.027 17.935 2.913 1.00 0.00 C ATOM 0 H1 MET A 1 -11.046 13.522 1.327 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.201 12.187 0.705 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.147 12.016 2.105 1.00 0.00 H new ATOM 0 HA MET A 1 -8.462 13.070 1.779 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.664 14.426 3.353 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.037 14.423 4.004 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.198 15.517 1.953 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.809 15.488 1.264 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.724 18.244 3.913 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.291 17.240 2.509 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.091 18.811 2.267 1.00 0.00 H new ATOM 20 N ARG A 2 -9.208 10.684 3.082 1.00 0.00 N ATOM 21 CA ARG A 2 -8.986 9.577 4.006 1.00 0.00 C ATOM 22 C ARG A 2 -8.565 8.315 3.261 1.00 0.00 C ATOM 23 O ARG A 2 -9.244 7.869 2.336 1.00 0.00 O ATOM 24 CB ARG A 2 -10.251 9.307 4.821 1.00 0.00 C ATOM 25 CG ARG A 2 -10.833 10.552 5.471 1.00 0.00 C ATOM 26 CD ARG A 2 -12.010 10.213 6.370 1.00 0.00 C ATOM 27 NE ARG A 2 -12.418 11.350 7.190 1.00 0.00 N ATOM 28 CZ ARG A 2 -13.043 12.423 6.711 1.00 0.00 C ATOM 29 NH1 ARG A 2 -13.335 12.509 5.418 1.00 0.00 N ATOM 30 NH2 ARG A 2 -13.377 13.415 7.525 1.00 0.00 N ATOM 0 H ARG A 2 -9.459 10.401 2.135 1.00 0.00 H new ATOM 0 HA ARG A 2 -8.179 9.859 4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -11.004 8.861 4.171 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.025 8.575 5.596 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -10.061 11.054 6.054 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -11.153 11.251 4.698 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -12.851 9.887 5.758 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -11.743 9.377 7.017 1.00 0.00 H new ATOM 0 HE ARG A 2 -12.212 11.320 8.189 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -13.080 11.750 4.786 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -13.814 13.334 5.057 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -13.155 13.356 8.519 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -13.856 14.237 7.157 1.00 0.00 H new ATOM 44 N ILE A 3 -7.441 7.742 3.678 1.00 0.00 N ATOM 45 CA ILE A 3 -6.922 6.526 3.061 1.00 0.00 C ATOM 46 C ILE A 3 -7.773 5.321 3.447 1.00 0.00 C ATOM 47 O ILE A 3 -8.418 5.318 4.495 1.00 0.00 O ATOM 48 CB ILE A 3 -5.457 6.284 3.476 1.00 0.00 C ATOM 49 CG1 ILE A 3 -4.883 5.052 2.783 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.351 6.137 4.985 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.401 5.170 2.509 1.00 0.00 C ATOM 0 H ILE A 3 -6.870 8.101 4.443 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.964 6.656 1.980 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.873 7.150 3.164 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.064 4.174 3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.410 4.892 1.842 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.311 5.967 5.262 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.710 7.047 5.465 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.956 5.291 5.312 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.049 4.264 2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.217 6.030 1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.866 5.301 3.450 1.00 0.00 H new ATOM 63 N TYR A 4 -7.786 4.305 2.591 1.00 0.00 N ATOM 64 CA TYR A 4 -8.579 3.110 2.849 1.00 0.00 C ATOM 65 C TYR A 4 -7.715 1.856 2.926 1.00 0.00 C ATOM 66 O TYR A 4 -7.918 1.018 3.800 1.00 0.00 O ATOM 67 CB TYR A 4 -9.649 2.945 1.769 1.00 0.00 C ATOM 68 CG TYR A 4 -10.766 3.959 1.870 1.00 0.00 C ATOM 69 CD1 TYR A 4 -11.557 4.039 3.009 1.00 0.00 C ATOM 70 CD2 TYR A 4 -11.027 4.837 0.827 1.00 0.00 C ATOM 71 CE1 TYR A 4 -12.577 4.965 3.105 1.00 0.00 C ATOM 72 CE2 TYR A 4 -12.046 5.768 0.915 1.00 0.00 C ATOM 73 CZ TYR A 4 -12.817 5.827 2.056 1.00 0.00 C ATOM 74 OH TYR A 4 -13.833 6.752 2.148 1.00 0.00 O ATOM 0 H TYR A 4 -7.260 4.285 1.718 1.00 0.00 H new ATOM 0 HA TYR A 4 -9.058 3.238 3.820 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -9.181 3.028 0.788 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -10.071 1.942 1.837 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -11.371 3.366 3.833 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -10.424 4.792 -0.068 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -13.184 5.014 3.997 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -12.236 6.444 0.095 1.00 0.00 H new ATOM 0 HH TYR A 4 -13.868 7.282 1.325 1.00 0.00 H new ATOM 84 N TYR A 5 -6.762 1.714 2.010 1.00 0.00 N ATOM 85 CA TYR A 5 -5.899 0.535 2.007 1.00 0.00 C ATOM 86 C TYR A 5 -4.436 0.903 1.832 1.00 0.00 C ATOM 87 O TYR A 5 -4.098 1.951 1.284 1.00 0.00 O ATOM 88 CB TYR A 5 -6.321 -0.428 0.896 1.00 0.00 C ATOM 89 CG TYR A 5 -5.442 -1.660 0.760 1.00 0.00 C ATOM 90 CD1 TYR A 5 -4.172 -1.580 0.193 1.00 0.00 C ATOM 91 CD2 TYR A 5 -5.889 -2.906 1.183 1.00 0.00 C ATOM 92 CE1 TYR A 5 -3.377 -2.701 0.058 1.00 0.00 C ATOM 93 CE2 TYR A 5 -5.097 -4.033 1.048 1.00 0.00 C ATOM 94 CZ TYR A 5 -3.844 -3.924 0.485 1.00 0.00 C ATOM 95 OH TYR A 5 -3.055 -5.044 0.349 1.00 0.00 O ATOM 0 H TYR A 5 -6.568 2.389 1.270 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.011 0.050 2.977 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.347 -0.748 1.080 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.320 0.109 -0.052 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.803 -0.624 -0.147 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -6.871 -2.996 1.624 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.393 -2.619 -0.380 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -5.459 -4.994 1.382 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.252 -4.818 -0.166 1.00 0.00 H new ATOM 105 N ILE A 6 -3.576 0.008 2.292 1.00 0.00 N ATOM 106 CA ILE A 6 -2.143 0.190 2.189 1.00 0.00 C ATOM 107 C ILE A 6 -1.454 -1.166 2.253 1.00 0.00 C ATOM 108 O ILE A 6 -2.048 -2.151 2.691 1.00 0.00 O ATOM 109 CB ILE A 6 -1.628 1.137 3.301 1.00 0.00 C ATOM 110 CG1 ILE A 6 -1.832 2.596 2.856 1.00 0.00 C ATOM 111 CG2 ILE A 6 -0.176 0.862 3.659 1.00 0.00 C ATOM 112 CD1 ILE A 6 -0.860 3.598 3.457 1.00 0.00 C ATOM 0 H ILE A 6 -3.854 -0.862 2.746 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.908 0.656 1.232 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.204 0.954 4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.751 2.642 1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.847 2.899 3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.142 1.550 4.443 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.077 -0.164 4.014 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.449 1.003 2.777 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.087 4.596 3.081 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.954 3.589 4.543 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.159 3.329 3.178 1.00 0.00 H new ATOM 124 N GLY A 7 -0.213 -1.221 1.801 1.00 0.00 N ATOM 125 CA GLY A 7 0.514 -2.472 1.816 1.00 0.00 C ATOM 126 C GLY A 7 1.656 -2.489 0.828 1.00 0.00 C ATOM 127 O GLY A 7 2.004 -1.460 0.249 1.00 0.00 O ATOM 0 H GLY A 7 0.303 -0.426 1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.903 -2.651 2.819 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.171 -3.289 1.589 1.00 0.00 H new ATOM 131 N VAL A 8 2.235 -3.663 0.629 1.00 0.00 N ATOM 132 CA VAL A 8 3.337 -3.817 -0.304 1.00 0.00 C ATOM 133 C VAL A 8 3.054 -4.957 -1.264 1.00 0.00 C ATOM 134 O VAL A 8 2.172 -5.780 -1.015 1.00 0.00 O ATOM 135 CB VAL A 8 4.680 -4.085 0.393 1.00 0.00 C ATOM 136 CG1 VAL A 8 5.809 -3.456 -0.395 1.00 0.00 C ATOM 137 CG2 VAL A 8 4.692 -3.582 1.831 1.00 0.00 C ATOM 0 H VAL A 8 1.959 -4.523 1.102 1.00 0.00 H new ATOM 0 HA VAL A 8 3.419 -2.871 -0.839 1.00 0.00 H new ATOM 0 HB VAL A 8 4.821 -5.165 0.429 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.756 -3.652 0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.835 -3.883 -1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.650 -2.380 -0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.661 -3.794 2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.514 -2.507 1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.910 -4.085 2.399 1.00 0.00 H new ATOM 147 N PHE A 9 3.777 -4.997 -2.373 1.00 0.00 N ATOM 148 CA PHE A 9 3.558 -6.034 -3.366 1.00 0.00 C ATOM 149 C PHE A 9 4.820 -6.371 -4.148 1.00 0.00 C ATOM 150 O PHE A 9 5.349 -5.539 -4.885 1.00 0.00 O ATOM 151 CB PHE A 9 2.477 -5.578 -4.329 1.00 0.00 C ATOM 152 CG PHE A 9 1.144 -5.376 -3.678 1.00 0.00 C ATOM 153 CD1 PHE A 9 0.886 -4.247 -2.914 1.00 0.00 C ATOM 154 CD2 PHE A 9 0.145 -6.311 -3.844 1.00 0.00 C ATOM 155 CE1 PHE A 9 -0.351 -4.065 -2.332 1.00 0.00 C ATOM 156 CE2 PHE A 9 -1.092 -6.135 -3.264 1.00 0.00 C ATOM 157 CZ PHE A 9 -1.340 -5.009 -2.509 1.00 0.00 C ATOM 0 H PHE A 9 4.513 -4.330 -2.605 1.00 0.00 H new ATOM 0 HA PHE A 9 3.253 -6.937 -2.837 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.789 -4.645 -4.797 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.376 -6.316 -5.125 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.659 -3.506 -2.774 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.335 -7.194 -4.437 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.545 -3.184 -1.738 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.865 -6.877 -3.400 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.310 -4.866 -2.056 1.00 0.00 H new ATOM 167 N ARG A 10 5.279 -7.608 -4.012 1.00 0.00 N ATOM 168 CA ARG A 10 6.456 -8.060 -4.734 1.00 0.00 C ATOM 169 C ARG A 10 6.087 -8.357 -6.184 1.00 0.00 C ATOM 170 O ARG A 10 5.312 -9.272 -6.461 1.00 0.00 O ATOM 171 CB ARG A 10 7.049 -9.305 -4.066 1.00 0.00 C ATOM 172 CG ARG A 10 8.045 -10.057 -4.935 1.00 0.00 C ATOM 173 CD ARG A 10 7.356 -11.084 -5.819 1.00 0.00 C ATOM 174 NE ARG A 10 8.244 -12.190 -6.166 1.00 0.00 N ATOM 175 CZ ARG A 10 7.880 -13.225 -6.921 1.00 0.00 C ATOM 176 NH1 ARG A 10 6.645 -13.303 -7.400 1.00 0.00 N ATOM 177 NH2 ARG A 10 8.754 -14.183 -7.197 1.00 0.00 N ATOM 0 H ARG A 10 4.854 -8.313 -3.410 1.00 0.00 H new ATOM 0 HA ARG A 10 7.209 -7.272 -4.714 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.542 -9.008 -3.140 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.238 -9.980 -3.793 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.592 -9.349 -5.558 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.778 -10.556 -4.301 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.476 -11.473 -5.306 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.005 -10.601 -6.731 1.00 0.00 H new ATOM 0 HE ARG A 10 9.199 -12.169 -5.809 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.969 -12.568 -7.190 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.371 -14.098 -7.978 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.704 -14.127 -6.831 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.476 -14.976 -7.775 1.00 0.00 H new ATOM 191 N SER A 11 6.636 -7.572 -7.104 1.00 0.00 N ATOM 192 CA SER A 11 6.352 -7.748 -8.525 1.00 0.00 C ATOM 193 C SER A 11 6.592 -9.189 -8.960 1.00 0.00 C ATOM 194 O SER A 11 7.734 -9.623 -9.112 1.00 0.00 O ATOM 195 CB SER A 11 7.216 -6.805 -9.359 1.00 0.00 C ATOM 196 OG SER A 11 7.224 -5.499 -8.812 1.00 0.00 O ATOM 0 H SER A 11 7.279 -6.809 -6.893 1.00 0.00 H new ATOM 0 HA SER A 11 5.301 -7.511 -8.687 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.235 -7.188 -9.407 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.840 -6.772 -10.381 1.00 0.00 H new ATOM 0 HG SER A 11 7.650 -4.882 -9.444 1.00 0.00 H new ATOM 202 N GLY A 12 5.506 -9.926 -9.161 1.00 0.00 N ATOM 203 CA GLY A 12 5.614 -11.310 -9.580 1.00 0.00 C ATOM 204 C GLY A 12 5.691 -11.454 -11.088 1.00 0.00 C ATOM 205 O GLY A 12 6.244 -10.593 -11.772 1.00 0.00 O ATOM 0 H GLY A 12 4.551 -9.589 -9.041 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.501 -11.755 -9.130 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.754 -11.867 -9.208 1.00 0.00 H new ATOM 209 N GLY A 13 5.132 -12.543 -11.606 1.00 0.00 N ATOM 210 CA GLY A 13 5.151 -12.775 -13.038 1.00 0.00 C ATOM 211 C GLY A 13 3.852 -12.371 -13.708 1.00 0.00 C ATOM 212 O GLY A 13 3.813 -11.404 -14.470 1.00 0.00 O ATOM 0 H GLY A 13 4.667 -13.268 -11.060 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.975 -12.216 -13.483 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.342 -13.831 -13.229 1.00 0.00 H new ATOM 216 N GLU A 14 2.787 -13.112 -13.425 1.00 0.00 N ATOM 217 CA GLU A 14 1.479 -12.828 -14.005 1.00 0.00 C ATOM 218 C GLU A 14 0.850 -11.596 -13.359 1.00 0.00 C ATOM 219 O GLU A 14 0.053 -10.895 -13.983 1.00 0.00 O ATOM 220 CB GLU A 14 0.552 -14.033 -13.838 1.00 0.00 C ATOM 221 CG GLU A 14 -0.681 -13.981 -14.726 1.00 0.00 C ATOM 222 CD GLU A 14 -0.794 -15.182 -15.644 1.00 0.00 C ATOM 223 OE1 GLU A 14 0.056 -15.320 -16.549 1.00 0.00 O ATOM 224 OE2 GLU A 14 -1.731 -15.987 -15.456 1.00 0.00 O ATOM 0 H GLU A 14 2.803 -13.915 -12.797 1.00 0.00 H new ATOM 0 HA GLU A 14 1.618 -12.627 -15.067 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.110 -14.943 -14.058 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.237 -14.097 -12.797 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.572 -13.922 -14.100 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.653 -13.072 -15.326 1.00 0.00 H new ATOM 231 N LYS A 15 1.213 -11.339 -12.106 1.00 0.00 N ATOM 232 CA LYS A 15 0.685 -10.194 -11.376 1.00 0.00 C ATOM 233 C LYS A 15 1.549 -9.892 -10.155 1.00 0.00 C ATOM 234 O LYS A 15 2.624 -10.470 -9.987 1.00 0.00 O ATOM 235 CB LYS A 15 -0.760 -10.462 -10.948 1.00 0.00 C ATOM 236 CG LYS A 15 -0.957 -11.813 -10.279 1.00 0.00 C ATOM 237 CD LYS A 15 -1.841 -12.730 -11.112 1.00 0.00 C ATOM 238 CE LYS A 15 -2.919 -13.387 -10.264 1.00 0.00 C ATOM 239 NZ LYS A 15 -3.336 -14.704 -10.819 1.00 0.00 N ATOM 0 H LYS A 15 1.871 -11.910 -11.576 1.00 0.00 H new ATOM 0 HA LYS A 15 0.703 -9.326 -12.035 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.078 -9.677 -10.262 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.406 -10.402 -11.824 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.012 -12.286 -10.122 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.405 -11.670 -9.296 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.306 -12.158 -11.914 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.228 -13.499 -11.583 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.549 -13.522 -9.248 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.785 -12.728 -10.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.072 -15.119 -10.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.713 -14.572 -11.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.515 -15.342 -10.853 1.00 0.00 H new ATOM 253 N ALA A 16 1.079 -8.983 -9.311 1.00 0.00 N ATOM 254 CA ALA A 16 1.813 -8.605 -8.112 1.00 0.00 C ATOM 255 C ALA A 16 1.608 -9.617 -6.995 1.00 0.00 C ATOM 256 O ALA A 16 0.555 -10.249 -6.899 1.00 0.00 O ATOM 257 CB ALA A 16 1.383 -7.223 -7.653 1.00 0.00 C ATOM 0 H ALA A 16 0.193 -8.494 -9.435 1.00 0.00 H new ATOM 0 HA ALA A 16 2.875 -8.588 -8.357 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.937 -6.949 -6.755 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.587 -6.498 -8.441 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.316 -7.229 -7.432 1.00 0.00 H new ATOM 263 N LEU A 17 2.618 -9.763 -6.145 1.00 0.00 N ATOM 264 CA LEU A 17 2.546 -10.693 -5.027 1.00 0.00 C ATOM 265 C LEU A 17 2.010 -9.990 -3.785 1.00 0.00 C ATOM 266 O LEU A 17 2.299 -8.817 -3.552 1.00 0.00 O ATOM 267 CB LEU A 17 3.925 -11.290 -4.739 1.00 0.00 C ATOM 268 CG LEU A 17 4.004 -12.175 -3.492 1.00 0.00 C ATOM 269 CD1 LEU A 17 5.129 -13.190 -3.629 1.00 0.00 C ATOM 270 CD2 LEU A 17 4.196 -11.326 -2.242 1.00 0.00 C ATOM 0 H LEU A 17 3.496 -9.248 -6.210 1.00 0.00 H new ATOM 0 HA LEU A 17 1.864 -11.500 -5.294 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.236 -11.878 -5.603 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.641 -10.475 -4.633 1.00 0.00 H new ATOM 0 HG LEU A 17 3.063 -12.716 -3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.170 -13.810 -2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.946 -13.820 -4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.078 -12.667 -3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.250 -11.974 -1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.121 -10.755 -2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.355 -10.641 -2.135 1.00 0.00 H new ATOM 282 N GLU A 18 1.226 -10.710 -2.993 1.00 0.00 N ATOM 283 CA GLU A 18 0.649 -10.150 -1.778 1.00 0.00 C ATOM 284 C GLU A 18 1.711 -9.976 -0.694 1.00 0.00 C ATOM 285 O GLU A 18 1.708 -10.687 0.310 1.00 0.00 O ATOM 286 CB GLU A 18 -0.477 -11.050 -1.264 1.00 0.00 C ATOM 287 CG GLU A 18 -0.092 -12.517 -1.179 1.00 0.00 C ATOM 288 CD GLU A 18 -0.944 -13.288 -0.190 1.00 0.00 C ATOM 289 OE1 GLU A 18 -1.401 -12.680 0.801 1.00 0.00 O ATOM 290 OE2 GLU A 18 -1.155 -14.500 -0.406 1.00 0.00 O ATOM 0 H GLU A 18 0.975 -11.683 -3.170 1.00 0.00 H new ATOM 0 HA GLU A 18 0.242 -9.168 -2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.784 -10.706 -0.276 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.341 -10.947 -1.920 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.186 -12.971 -2.165 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.956 -12.597 -0.890 1.00 0.00 H new ATOM 297 N LEU A 19 2.616 -9.021 -0.900 1.00 0.00 N ATOM 298 CA LEU A 19 3.674 -8.759 0.071 1.00 0.00 C ATOM 299 C LEU A 19 3.080 -8.357 1.416 1.00 0.00 C ATOM 300 O LEU A 19 3.042 -9.158 2.350 1.00 0.00 O ATOM 301 CB LEU A 19 4.626 -7.683 -0.444 1.00 0.00 C ATOM 302 CG LEU A 19 6.108 -8.045 -0.338 1.00 0.00 C ATOM 303 CD1 LEU A 19 6.385 -9.390 -0.993 1.00 0.00 C ATOM 304 CD2 LEU A 19 6.969 -6.965 -0.965 1.00 0.00 C ATOM 0 H LEU A 19 2.638 -8.420 -1.724 1.00 0.00 H new ATOM 0 HA LEU A 19 4.245 -9.677 0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.389 -7.475 -1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.449 -6.762 0.112 1.00 0.00 H new ATOM 0 HG LEU A 19 6.362 -8.120 0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.445 -9.626 -0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.799 -10.164 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.110 -9.345 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.020 -7.242 -0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.707 -6.856 -2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.800 -6.020 -0.450 1.00 0.00 H new ATOM 316 N SER A 20 2.600 -7.122 1.508 1.00 0.00 N ATOM 317 CA SER A 20 1.987 -6.634 2.738 1.00 0.00 C ATOM 318 C SER A 20 0.566 -6.165 2.461 1.00 0.00 C ATOM 319 O SER A 20 0.296 -5.582 1.410 1.00 0.00 O ATOM 320 CB SER A 20 2.805 -5.495 3.343 1.00 0.00 C ATOM 321 OG SER A 20 2.788 -5.552 4.759 1.00 0.00 O ATOM 0 H SER A 20 2.623 -6.442 0.748 1.00 0.00 H new ATOM 0 HA SER A 20 1.962 -7.454 3.455 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.833 -5.552 2.986 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.404 -4.538 3.009 1.00 0.00 H new ATOM 0 HG SER A 20 3.458 -4.934 5.119 1.00 0.00 H new ATOM 327 N GLU A 21 -0.348 -6.427 3.391 1.00 0.00 N ATOM 328 CA GLU A 21 -1.731 -6.027 3.201 1.00 0.00 C ATOM 329 C GLU A 21 -2.343 -5.437 4.470 1.00 0.00 C ATOM 330 O GLU A 21 -2.582 -6.143 5.450 1.00 0.00 O ATOM 331 CB GLU A 21 -2.555 -7.231 2.744 1.00 0.00 C ATOM 332 CG GLU A 21 -4.025 -6.919 2.521 1.00 0.00 C ATOM 333 CD GLU A 21 -4.916 -8.128 2.728 1.00 0.00 C ATOM 334 OE1 GLU A 21 -4.803 -9.090 1.938 1.00 0.00 O ATOM 335 OE2 GLU A 21 -5.726 -8.112 3.677 1.00 0.00 O ATOM 0 H GLU A 21 -0.156 -6.908 4.270 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.746 -5.248 2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.131 -7.619 1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.470 -8.022 3.489 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.332 -6.126 3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.163 -6.540 1.508 1.00 0.00 H new ATOM 342 N VAL A 22 -2.625 -4.140 4.420 1.00 0.00 N ATOM 343 CA VAL A 22 -3.246 -3.434 5.524 1.00 0.00 C ATOM 344 C VAL A 22 -4.475 -2.689 5.021 1.00 0.00 C ATOM 345 O VAL A 22 -4.426 -2.030 3.981 1.00 0.00 O ATOM 346 CB VAL A 22 -2.261 -2.455 6.185 1.00 0.00 C ATOM 347 CG1 VAL A 22 -1.805 -1.382 5.213 1.00 0.00 C ATOM 348 CG2 VAL A 22 -2.872 -1.829 7.430 1.00 0.00 C ATOM 0 H VAL A 22 -2.428 -3.552 3.610 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.544 -4.162 6.278 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.382 -3.026 6.484 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.110 -0.708 5.714 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.308 -1.849 4.363 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.669 -0.817 4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.156 -1.141 7.880 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.777 -1.285 7.157 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.121 -2.612 8.146 1.00 0.00 H new ATOM 358 N LYS A 23 -5.587 -2.818 5.732 1.00 0.00 N ATOM 359 CA LYS A 23 -6.824 -2.174 5.307 1.00 0.00 C ATOM 360 C LYS A 23 -7.297 -1.114 6.283 1.00 0.00 C ATOM 361 O LYS A 23 -6.842 -1.035 7.425 1.00 0.00 O ATOM 362 CB LYS A 23 -7.937 -3.207 5.144 1.00 0.00 C ATOM 363 CG LYS A 23 -7.518 -4.441 4.360 1.00 0.00 C ATOM 364 CD LYS A 23 -8.530 -5.566 4.508 1.00 0.00 C ATOM 365 CE LYS A 23 -8.702 -5.977 5.962 1.00 0.00 C ATOM 366 NZ LYS A 23 -8.653 -7.456 6.131 1.00 0.00 N ATOM 0 H LYS A 23 -5.659 -3.356 6.596 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.603 -1.692 4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.282 -3.515 6.131 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.784 -2.739 4.642 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.409 -4.184 3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.542 -4.780 4.708 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.491 -5.247 4.103 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.207 -6.426 3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.919 -5.517 6.564 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.654 -5.600 6.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.774 -7.695 7.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.416 -7.894 5.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.735 -7.813 5.799 1.00 0.00 H new ATOM 380 N ASP A 24 -8.254 -0.330 5.814 1.00 0.00 N ATOM 381 CA ASP A 24 -8.868 0.713 6.608 1.00 0.00 C ATOM 382 C ASP A 24 -10.355 0.757 6.273 1.00 0.00 C ATOM 383 O ASP A 24 -10.747 1.190 5.191 1.00 0.00 O ATOM 384 CB ASP A 24 -8.215 2.067 6.320 1.00 0.00 C ATOM 385 CG ASP A 24 -7.937 2.853 7.585 1.00 0.00 C ATOM 386 OD1 ASP A 24 -8.781 2.818 8.505 1.00 0.00 O ATOM 387 OD2 ASP A 24 -6.874 3.506 7.658 1.00 0.00 O ATOM 0 H ASP A 24 -8.626 -0.402 4.867 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.730 0.499 7.668 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.281 1.910 5.780 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.866 2.650 5.668 1.00 0.00 H new ATOM 392 N LEU A 25 -11.172 0.285 7.201 1.00 0.00 N ATOM 393 CA LEU A 25 -12.614 0.244 7.006 1.00 0.00 C ATOM 394 C LEU A 25 -13.303 1.357 7.784 1.00 0.00 C ATOM 395 O LEU A 25 -13.992 1.107 8.774 1.00 0.00 O ATOM 396 CB LEU A 25 -13.168 -1.117 7.439 1.00 0.00 C ATOM 397 CG LEU A 25 -12.544 -2.336 6.749 1.00 0.00 C ATOM 398 CD1 LEU A 25 -12.676 -2.235 5.237 1.00 0.00 C ATOM 399 CD2 LEU A 25 -11.083 -2.493 7.143 1.00 0.00 C ATOM 0 H LEU A 25 -10.860 -0.077 8.102 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.816 0.392 5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.029 -1.220 8.515 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.242 -1.128 7.254 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.088 -3.220 7.081 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.225 -3.112 4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -13.731 -2.183 4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.167 -1.337 4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.662 -3.364 6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.529 -1.602 6.848 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.009 -2.626 8.222 1.00 0.00 H new ATOM 411 N SER A 26 -13.116 2.589 7.326 1.00 0.00 N ATOM 412 CA SER A 26 -13.724 3.746 7.975 1.00 0.00 C ATOM 413 C SER A 26 -15.242 3.597 8.027 1.00 0.00 C ATOM 414 O SER A 26 -15.810 3.285 9.075 1.00 0.00 O ATOM 415 CB SER A 26 -13.348 5.031 7.233 1.00 0.00 C ATOM 416 OG SER A 26 -14.220 6.094 7.578 1.00 0.00 O ATOM 0 H SER A 26 -12.549 2.813 6.508 1.00 0.00 H new ATOM 0 HA SER A 26 -13.345 3.804 8.995 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.321 5.306 7.474 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.388 4.858 6.157 1.00 0.00 H new ATOM 0 HG SER A 26 -13.957 6.903 7.092 1.00 0.00 H new ATOM 422 N GLN A 27 -15.891 3.812 6.888 1.00 0.00 N ATOM 423 CA GLN A 27 -17.342 3.692 6.797 1.00 0.00 C ATOM 424 C GLN A 27 -17.742 2.254 6.474 1.00 0.00 C ATOM 425 O GLN A 27 -18.859 1.827 6.767 1.00 0.00 O ATOM 426 CB GLN A 27 -17.883 4.639 5.725 1.00 0.00 C ATOM 427 CG GLN A 27 -17.672 6.109 6.047 1.00 0.00 C ATOM 428 CD GLN A 27 -18.834 6.712 6.811 1.00 0.00 C ATOM 429 OE1 GLN A 27 -19.045 6.406 7.985 1.00 0.00 O ATOM 430 NE2 GLN A 27 -19.595 7.573 6.148 1.00 0.00 N ATOM 0 H GLN A 27 -15.435 4.071 6.013 1.00 0.00 H new ATOM 0 HA GLN A 27 -17.772 3.964 7.761 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -17.401 4.411 4.774 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -18.949 4.454 5.594 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -16.760 6.221 6.633 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -17.526 6.663 5.120 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -19.383 7.797 5.176 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -20.392 8.011 6.610 1.00 0.00 H new ATOM 439 N PHE A 28 -16.817 1.516 5.869 1.00 0.00 N ATOM 440 CA PHE A 28 -17.053 0.122 5.501 1.00 0.00 C ATOM 441 C PHE A 28 -17.362 -0.712 6.744 1.00 0.00 C ATOM 442 O PHE A 28 -17.226 -0.227 7.867 1.00 0.00 O ATOM 443 CB PHE A 28 -15.827 -0.432 4.766 1.00 0.00 C ATOM 444 CG PHE A 28 -15.176 0.578 3.856 1.00 0.00 C ATOM 445 CD1 PHE A 28 -15.944 1.509 3.172 1.00 0.00 C ATOM 446 CD2 PHE A 28 -13.800 0.612 3.705 1.00 0.00 C ATOM 447 CE1 PHE A 28 -15.351 2.450 2.354 1.00 0.00 C ATOM 448 CE2 PHE A 28 -13.203 1.555 2.891 1.00 0.00 C ATOM 449 CZ PHE A 28 -13.979 2.473 2.216 1.00 0.00 C ATOM 0 H PHE A 28 -15.890 1.862 5.621 1.00 0.00 H new ATOM 0 HA PHE A 28 -17.915 0.068 4.836 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -15.097 -0.776 5.498 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -16.125 -1.301 4.180 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -17.018 1.498 3.281 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -13.187 -0.106 4.229 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -15.960 3.167 1.823 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -12.129 1.573 2.783 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.513 3.210 1.579 1.00 0.00 H new ATOM 459 N GLY A 29 -17.787 -1.960 6.548 1.00 0.00 N ATOM 460 CA GLY A 29 -18.109 -2.807 7.684 1.00 0.00 C ATOM 461 C GLY A 29 -18.472 -4.231 7.302 1.00 0.00 C ATOM 462 O GLY A 29 -17.926 -4.797 6.359 1.00 0.00 O ATOM 0 H GLY A 29 -17.913 -2.395 5.634 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.256 -2.829 8.363 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.941 -2.364 8.232 1.00 0.00 H new ATOM 466 N PHE A 30 -19.391 -4.808 8.065 1.00 0.00 N ATOM 467 CA PHE A 30 -19.842 -6.182 7.854 1.00 0.00 C ATOM 468 C PHE A 30 -20.093 -6.509 6.383 1.00 0.00 C ATOM 469 O PHE A 30 -19.685 -7.564 5.898 1.00 0.00 O ATOM 470 CB PHE A 30 -21.119 -6.428 8.656 1.00 0.00 C ATOM 471 CG PHE A 30 -21.005 -7.562 9.628 1.00 0.00 C ATOM 472 CD1 PHE A 30 -20.075 -7.520 10.652 1.00 0.00 C ATOM 473 CD2 PHE A 30 -21.828 -8.670 9.518 1.00 0.00 C ATOM 474 CE1 PHE A 30 -19.966 -8.562 11.550 1.00 0.00 C ATOM 475 CE2 PHE A 30 -21.724 -9.716 10.412 1.00 0.00 C ATOM 476 CZ PHE A 30 -20.792 -9.663 11.430 1.00 0.00 C ATOM 0 H PHE A 30 -19.846 -4.339 8.848 1.00 0.00 H new ATOM 0 HA PHE A 30 -19.040 -6.837 8.194 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -21.378 -5.519 9.199 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -21.938 -6.632 7.966 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -19.427 -6.662 10.749 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -22.559 -8.716 8.724 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -19.236 -8.517 12.345 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -22.371 -10.575 10.316 1.00 0.00 H new ATOM 0 HZ PHE A 30 -20.709 -10.481 12.131 1.00 0.00 H new ATOM 486 N PHE A 31 -20.795 -5.624 5.686 1.00 0.00 N ATOM 487 CA PHE A 31 -21.129 -5.853 4.283 1.00 0.00 C ATOM 488 C PHE A 31 -20.381 -4.908 3.349 1.00 0.00 C ATOM 489 O PHE A 31 -20.726 -4.789 2.173 1.00 0.00 O ATOM 490 CB PHE A 31 -22.638 -5.705 4.079 1.00 0.00 C ATOM 491 CG PHE A 31 -23.449 -6.115 5.278 1.00 0.00 C ATOM 492 CD1 PHE A 31 -23.731 -7.450 5.518 1.00 0.00 C ATOM 493 CD2 PHE A 31 -23.923 -5.164 6.168 1.00 0.00 C ATOM 494 CE1 PHE A 31 -24.473 -7.828 6.622 1.00 0.00 C ATOM 495 CE2 PHE A 31 -24.664 -5.536 7.272 1.00 0.00 C ATOM 496 CZ PHE A 31 -24.940 -6.869 7.500 1.00 0.00 C ATOM 0 H PHE A 31 -21.144 -4.744 6.066 1.00 0.00 H new ATOM 0 HA PHE A 31 -20.819 -6.868 4.033 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -22.864 -4.667 3.836 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -22.941 -6.306 3.222 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -23.367 -8.204 4.835 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -23.710 -4.119 5.996 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -24.687 -8.872 6.798 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -25.028 -4.784 7.957 1.00 0.00 H new ATOM 0 HZ PHE A 31 -25.520 -7.162 8.363 1.00 0.00 H new ATOM 506 N GLU A 32 -19.354 -4.243 3.864 1.00 0.00 N ATOM 507 CA GLU A 32 -18.567 -3.322 3.053 1.00 0.00 C ATOM 508 C GLU A 32 -17.077 -3.640 3.168 1.00 0.00 C ATOM 509 O GLU A 32 -16.346 -3.582 2.183 1.00 0.00 O ATOM 510 CB GLU A 32 -18.843 -1.873 3.461 1.00 0.00 C ATOM 511 CG GLU A 32 -19.746 -1.132 2.489 1.00 0.00 C ATOM 512 CD GLU A 32 -20.181 0.222 3.015 1.00 0.00 C ATOM 513 OE1 GLU A 32 -20.785 0.269 4.108 1.00 0.00 O ATOM 514 OE2 GLU A 32 -19.918 1.237 2.335 1.00 0.00 O ATOM 0 H GLU A 32 -19.048 -4.323 4.834 1.00 0.00 H new ATOM 0 HA GLU A 32 -18.863 -3.446 2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -19.301 -1.863 4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -17.896 -1.340 3.543 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -19.223 -0.999 1.542 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -20.628 -1.739 2.284 1.00 0.00 H new ATOM 521 N ARG A 33 -16.636 -3.996 4.370 1.00 0.00 N ATOM 522 CA ARG A 33 -15.236 -4.342 4.594 1.00 0.00 C ATOM 523 C ARG A 33 -14.848 -5.524 3.714 1.00 0.00 C ATOM 524 O ARG A 33 -13.727 -5.602 3.211 1.00 0.00 O ATOM 525 CB ARG A 33 -14.998 -4.681 6.072 1.00 0.00 C ATOM 526 CG ARG A 33 -13.701 -5.434 6.335 1.00 0.00 C ATOM 527 CD ARG A 33 -13.496 -5.687 7.820 1.00 0.00 C ATOM 528 NE ARG A 33 -12.526 -6.751 8.066 1.00 0.00 N ATOM 529 CZ ARG A 33 -12.815 -8.049 7.995 1.00 0.00 C ATOM 530 NH1 ARG A 33 -14.042 -8.447 7.683 1.00 0.00 N ATOM 531 NH2 ARG A 33 -11.873 -8.951 8.235 1.00 0.00 N ATOM 0 H ARG A 33 -17.225 -4.053 5.201 1.00 0.00 H new ATOM 0 HA ARG A 33 -14.616 -3.485 4.332 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -14.993 -3.757 6.650 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.833 -5.279 6.436 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.716 -6.384 5.801 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.860 -4.861 5.943 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.157 -4.769 8.300 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.449 -5.953 8.277 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.571 -6.484 8.306 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.770 -7.757 7.496 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.257 -9.443 7.630 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.928 -8.650 8.474 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.093 -9.945 8.181 1.00 0.00 H new ATOM 545 N SER A 34 -15.793 -6.437 3.535 1.00 0.00 N ATOM 546 CA SER A 34 -15.574 -7.619 2.716 1.00 0.00 C ATOM 547 C SER A 34 -15.417 -7.234 1.250 1.00 0.00 C ATOM 548 O SER A 34 -14.399 -7.528 0.622 1.00 0.00 O ATOM 549 CB SER A 34 -16.743 -8.591 2.882 1.00 0.00 C ATOM 550 OG SER A 34 -16.437 -9.859 2.328 1.00 0.00 O ATOM 0 H SER A 34 -16.723 -6.380 3.949 1.00 0.00 H new ATOM 0 HA SER A 34 -14.655 -8.105 3.045 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.981 -8.701 3.940 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.630 -8.184 2.397 1.00 0.00 H new ATOM 0 HG SER A 34 -17.200 -10.462 2.449 1.00 0.00 H new ATOM 556 N SER A 35 -16.436 -6.573 0.710 1.00 0.00 N ATOM 557 CA SER A 35 -16.421 -6.144 -0.682 1.00 0.00 C ATOM 558 C SER A 35 -15.300 -5.142 -0.942 1.00 0.00 C ATOM 559 O SER A 35 -14.464 -5.350 -1.821 1.00 0.00 O ATOM 560 CB SER A 35 -17.769 -5.526 -1.059 1.00 0.00 C ATOM 561 OG SER A 35 -18.758 -6.525 -1.235 1.00 0.00 O ATOM 0 H SER A 35 -17.284 -6.323 1.218 1.00 0.00 H new ATOM 0 HA SER A 35 -16.241 -7.023 -1.300 1.00 0.00 H new ATOM 0 HB2 SER A 35 -18.084 -4.831 -0.280 1.00 0.00 H new ATOM 0 HB3 SER A 35 -17.664 -4.949 -1.978 1.00 0.00 H new ATOM 0 HG SER A 35 -19.610 -6.103 -1.474 1.00 0.00 H new ATOM 567 N VAL A 36 -15.292 -4.051 -0.182 1.00 0.00 N ATOM 568 CA VAL A 36 -14.274 -3.021 -0.349 1.00 0.00 C ATOM 569 C VAL A 36 -12.873 -3.574 -0.117 1.00 0.00 C ATOM 570 O VAL A 36 -11.982 -3.378 -0.940 1.00 0.00 O ATOM 571 CB VAL A 36 -14.486 -1.823 0.594 1.00 0.00 C ATOM 572 CG1 VAL A 36 -13.617 -0.662 0.148 1.00 0.00 C ATOM 573 CG2 VAL A 36 -15.951 -1.410 0.644 1.00 0.00 C ATOM 0 H VAL A 36 -15.975 -3.859 0.551 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.372 -2.680 -1.380 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.196 -2.121 1.602 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -13.769 0.185 0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -12.569 -0.961 0.174 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -13.887 -0.374 -0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.067 -0.562 1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -16.284 -1.128 -0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.552 -2.245 1.004 1.00 0.00 H new ATOM 583 N GLY A 37 -12.676 -4.261 1.009 1.00 0.00 N ATOM 584 CA GLY A 37 -11.367 -4.821 1.309 1.00 0.00 C ATOM 585 C GLY A 37 -10.788 -5.564 0.127 1.00 0.00 C ATOM 586 O GLY A 37 -9.694 -5.247 -0.339 1.00 0.00 O ATOM 0 H GLY A 37 -13.393 -4.438 1.713 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.688 -4.020 1.603 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.448 -5.498 2.159 1.00 0.00 H new ATOM 590 N GLN A 38 -11.538 -6.533 -0.383 1.00 0.00 N ATOM 591 CA GLN A 38 -11.097 -7.288 -1.548 1.00 0.00 C ATOM 592 C GLN A 38 -10.879 -6.328 -2.708 1.00 0.00 C ATOM 593 O GLN A 38 -9.995 -6.520 -3.542 1.00 0.00 O ATOM 594 CB GLN A 38 -12.126 -8.351 -1.929 1.00 0.00 C ATOM 595 CG GLN A 38 -12.452 -9.306 -0.796 1.00 0.00 C ATOM 596 CD GLN A 38 -12.213 -10.758 -1.166 1.00 0.00 C ATOM 597 OE1 GLN A 38 -13.156 -11.523 -1.367 1.00 0.00 O ATOM 598 NE2 GLN A 38 -10.945 -11.144 -1.256 1.00 0.00 N ATOM 0 H GLN A 38 -12.446 -6.812 -0.012 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.163 -7.797 -1.310 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -13.042 -7.859 -2.255 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -11.751 -8.921 -2.779 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.845 -9.052 0.073 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -13.495 -9.176 -0.506 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.195 -10.476 -1.081 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -10.722 -12.109 -1.500 1.00 0.00 H new ATOM 607 N PHE A 39 -11.691 -5.274 -2.728 1.00 0.00 N ATOM 608 CA PHE A 39 -11.599 -4.247 -3.752 1.00 0.00 C ATOM 609 C PHE A 39 -10.236 -3.572 -3.692 1.00 0.00 C ATOM 610 O PHE A 39 -9.583 -3.351 -4.715 1.00 0.00 O ATOM 611 CB PHE A 39 -12.703 -3.209 -3.546 1.00 0.00 C ATOM 612 CG PHE A 39 -13.300 -2.700 -4.823 1.00 0.00 C ATOM 613 CD1 PHE A 39 -13.699 -3.577 -5.818 1.00 0.00 C ATOM 614 CD2 PHE A 39 -13.465 -1.341 -5.027 1.00 0.00 C ATOM 615 CE1 PHE A 39 -14.252 -3.106 -6.994 1.00 0.00 C ATOM 616 CE2 PHE A 39 -14.016 -0.862 -6.199 1.00 0.00 C ATOM 617 CZ PHE A 39 -14.410 -1.746 -7.185 1.00 0.00 C ATOM 0 H PHE A 39 -12.425 -5.112 -2.038 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.722 -4.710 -4.731 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.493 -3.648 -2.936 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.297 -2.367 -2.984 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -13.577 -4.640 -5.673 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -13.159 -0.646 -4.259 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -14.560 -3.799 -7.762 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -14.139 0.201 -6.345 1.00 0.00 H new ATOM 0 HZ PHE A 39 -14.841 -1.375 -8.103 1.00 0.00 H new ATOM 627 N MET A 40 -9.818 -3.248 -2.475 1.00 0.00 N ATOM 628 CA MET A 40 -8.542 -2.592 -2.249 1.00 0.00 C ATOM 629 C MET A 40 -7.376 -3.453 -2.721 1.00 0.00 C ATOM 630 O MET A 40 -6.605 -3.051 -3.591 1.00 0.00 O ATOM 631 CB MET A 40 -8.374 -2.277 -0.767 1.00 0.00 C ATOM 632 CG MET A 40 -9.421 -1.322 -0.221 1.00 0.00 C ATOM 633 SD MET A 40 -9.761 -1.595 1.528 1.00 0.00 S ATOM 634 CE MET A 40 -11.086 -0.425 1.802 1.00 0.00 C ATOM 0 H MET A 40 -10.351 -3.432 -1.625 1.00 0.00 H new ATOM 0 HA MET A 40 -8.538 -1.668 -2.827 1.00 0.00 H new ATOM 0 HB2 MET A 40 -8.414 -3.207 -0.201 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.385 -1.848 -0.606 1.00 0.00 H new ATOM 0 HG2 MET A 40 -9.083 -0.296 -0.366 1.00 0.00 H new ATOM 0 HG3 MET A 40 -10.344 -1.437 -0.789 1.00 0.00 H new ATOM 0 HE1 MET A 40 -10.813 0.250 2.613 1.00 0.00 H new ATOM 0 HE2 MET A 40 -11.257 0.151 0.892 1.00 0.00 H new ATOM 0 HE3 MET A 40 -11.996 -0.962 2.068 1.00 0.00 H new ATOM 644 N THR A 41 -7.250 -4.636 -2.135 1.00 0.00 N ATOM 645 CA THR A 41 -6.171 -5.553 -2.486 1.00 0.00 C ATOM 646 C THR A 41 -6.140 -5.824 -3.984 1.00 0.00 C ATOM 647 O THR A 41 -5.146 -5.544 -4.641 1.00 0.00 O ATOM 648 CB THR A 41 -6.326 -6.866 -1.725 1.00 0.00 C ATOM 649 OG1 THR A 41 -6.523 -6.626 -0.342 1.00 0.00 O ATOM 650 CG2 THR A 41 -5.134 -7.786 -1.867 1.00 0.00 C ATOM 0 H THR A 41 -7.881 -4.985 -1.414 1.00 0.00 H new ATOM 0 HA THR A 41 -5.229 -5.082 -2.205 1.00 0.00 H new ATOM 0 HB THR A 41 -7.194 -7.354 -2.168 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.128 -5.762 -0.100 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.311 -8.701 -1.301 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.988 -8.032 -2.919 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.243 -7.289 -1.484 1.00 0.00 H new ATOM 658 N PHE A 42 -7.230 -6.371 -4.519 1.00 0.00 N ATOM 659 CA PHE A 42 -7.313 -6.674 -5.949 1.00 0.00 C ATOM 660 C PHE A 42 -6.746 -5.525 -6.780 1.00 0.00 C ATOM 661 O PHE A 42 -6.004 -5.740 -7.740 1.00 0.00 O ATOM 662 CB PHE A 42 -8.764 -6.943 -6.352 1.00 0.00 C ATOM 663 CG PHE A 42 -8.902 -7.960 -7.450 1.00 0.00 C ATOM 664 CD1 PHE A 42 -8.491 -7.665 -8.740 1.00 0.00 C ATOM 665 CD2 PHE A 42 -9.442 -9.209 -7.191 1.00 0.00 C ATOM 666 CE1 PHE A 42 -8.617 -8.598 -9.751 1.00 0.00 C ATOM 667 CE2 PHE A 42 -9.571 -10.146 -8.199 1.00 0.00 C ATOM 668 CZ PHE A 42 -9.158 -9.840 -9.481 1.00 0.00 C ATOM 0 H PHE A 42 -8.066 -6.613 -3.987 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.719 -7.568 -6.142 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.318 -7.286 -5.478 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.223 -6.008 -6.674 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.068 -6.695 -8.957 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -9.766 -9.454 -6.190 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.293 -8.356 -10.752 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.994 -11.116 -7.984 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.258 -10.570 -10.271 1.00 0.00 H new ATOM 678 N PHE A 43 -7.089 -4.305 -6.390 1.00 0.00 N ATOM 679 CA PHE A 43 -6.607 -3.118 -7.082 1.00 0.00 C ATOM 680 C PHE A 43 -5.137 -2.879 -6.772 1.00 0.00 C ATOM 681 O PHE A 43 -4.376 -2.422 -7.623 1.00 0.00 O ATOM 682 CB PHE A 43 -7.426 -1.898 -6.668 1.00 0.00 C ATOM 683 CG PHE A 43 -8.523 -1.574 -7.630 1.00 0.00 C ATOM 684 CD1 PHE A 43 -9.662 -2.358 -7.685 1.00 0.00 C ATOM 685 CD2 PHE A 43 -8.414 -0.491 -8.482 1.00 0.00 C ATOM 686 CE1 PHE A 43 -10.674 -2.067 -8.574 1.00 0.00 C ATOM 687 CE2 PHE A 43 -9.422 -0.192 -9.374 1.00 0.00 C ATOM 688 CZ PHE A 43 -10.556 -0.981 -9.421 1.00 0.00 C ATOM 0 H PHE A 43 -7.700 -4.111 -5.597 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.719 -3.277 -8.155 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -7.856 -2.074 -5.682 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.764 -1.037 -6.578 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.759 -3.207 -7.024 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.529 0.128 -8.449 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.558 -2.687 -8.609 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.326 0.657 -10.035 1.00 0.00 H new ATOM 0 HZ PHE A 43 -11.348 -0.750 -10.118 1.00 0.00 H new ATOM 698 N ALA A 44 -4.755 -3.188 -5.540 1.00 0.00 N ATOM 699 CA ALA A 44 -3.376 -3.009 -5.087 1.00 0.00 C ATOM 700 C ALA A 44 -2.437 -4.024 -5.738 1.00 0.00 C ATOM 701 O ALA A 44 -1.280 -3.718 -6.041 1.00 0.00 O ATOM 702 CB ALA A 44 -3.313 -3.111 -3.573 1.00 0.00 C ATOM 0 H ALA A 44 -5.383 -3.566 -4.830 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.042 -2.017 -5.391 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.283 -2.977 -3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.940 -2.338 -3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.670 -4.092 -3.259 1.00 0.00 H new ATOM 708 N GLU A 45 -2.944 -5.227 -5.966 1.00 0.00 N ATOM 709 CA GLU A 45 -2.159 -6.274 -6.595 1.00 0.00 C ATOM 710 C GLU A 45 -1.981 -5.957 -8.073 1.00 0.00 C ATOM 711 O GLU A 45 -0.916 -6.180 -8.647 1.00 0.00 O ATOM 712 CB GLU A 45 -2.843 -7.628 -6.412 1.00 0.00 C ATOM 713 CG GLU A 45 -4.260 -7.662 -6.950 1.00 0.00 C ATOM 714 CD GLU A 45 -4.839 -9.062 -6.990 1.00 0.00 C ATOM 715 OE1 GLU A 45 -4.327 -9.938 -6.262 1.00 0.00 O ATOM 716 OE2 GLU A 45 -5.805 -9.283 -7.751 1.00 0.00 O ATOM 0 H GLU A 45 -3.896 -5.500 -5.724 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.177 -6.323 -6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.253 -8.396 -6.913 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.858 -7.879 -5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.895 -7.029 -6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.273 -7.240 -7.955 1.00 0.00 H new ATOM 723 N THR A 46 -3.030 -5.405 -8.677 1.00 0.00 N ATOM 724 CA THR A 46 -2.983 -5.023 -10.081 1.00 0.00 C ATOM 725 C THR A 46 -1.907 -3.966 -10.287 1.00 0.00 C ATOM 726 O THR A 46 -1.009 -4.132 -11.105 1.00 0.00 O ATOM 727 CB THR A 46 -4.349 -4.491 -10.533 1.00 0.00 C ATOM 728 OG1 THR A 46 -5.109 -5.519 -11.144 1.00 0.00 O ATOM 729 CG2 THR A 46 -4.266 -3.340 -11.516 1.00 0.00 C ATOM 0 H THR A 46 -3.919 -5.214 -8.216 1.00 0.00 H new ATOM 0 HA THR A 46 -2.740 -5.899 -10.682 1.00 0.00 H new ATOM 0 HB THR A 46 -4.824 -4.128 -9.622 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.977 -5.161 -11.424 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.272 -3.020 -11.787 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.732 -2.508 -11.058 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.734 -3.663 -12.411 1.00 0.00 H new ATOM 737 N VAL A 47 -2.010 -2.878 -9.530 1.00 0.00 N ATOM 738 CA VAL A 47 -1.044 -1.783 -9.621 1.00 0.00 C ATOM 739 C VAL A 47 0.377 -2.306 -9.606 1.00 0.00 C ATOM 740 O VAL A 47 1.121 -2.140 -10.571 1.00 0.00 O ATOM 741 CB VAL A 47 -1.172 -0.771 -8.465 1.00 0.00 C ATOM 742 CG1 VAL A 47 -1.979 0.426 -8.876 1.00 0.00 C ATOM 743 CG2 VAL A 47 -1.761 -1.399 -7.216 1.00 0.00 C ATOM 0 H VAL A 47 -2.752 -2.729 -8.846 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.268 -1.282 -10.563 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.161 -0.443 -8.225 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.051 1.121 -8.039 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.494 0.920 -9.718 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.979 0.107 -9.170 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.832 -0.648 -6.430 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.755 -1.787 -7.438 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.120 -2.215 -6.882 1.00 0.00 H new ATOM 753 N ALA A 48 0.751 -2.951 -8.512 1.00 0.00 N ATOM 754 CA ALA A 48 2.087 -3.502 -8.406 1.00 0.00 C ATOM 755 C ALA A 48 2.369 -4.386 -9.618 1.00 0.00 C ATOM 756 O ALA A 48 3.510 -4.503 -10.068 1.00 0.00 O ATOM 757 CB ALA A 48 2.245 -4.255 -7.099 1.00 0.00 C ATOM 0 H ALA A 48 0.156 -3.103 -7.697 1.00 0.00 H new ATOM 0 HA ALA A 48 2.821 -2.696 -8.400 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.254 -4.663 -7.034 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.074 -3.575 -6.264 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.521 -5.069 -7.058 1.00 0.00 H new ATOM 763 N SER A 49 1.304 -4.979 -10.161 1.00 0.00 N ATOM 764 CA SER A 49 1.408 -5.822 -11.341 1.00 0.00 C ATOM 765 C SER A 49 1.616 -4.955 -12.583 1.00 0.00 C ATOM 766 O SER A 49 2.401 -5.299 -13.467 1.00 0.00 O ATOM 767 CB SER A 49 0.148 -6.680 -11.494 1.00 0.00 C ATOM 768 OG SER A 49 -0.310 -6.700 -12.835 1.00 0.00 O ATOM 0 H SER A 49 0.356 -4.886 -9.795 1.00 0.00 H new ATOM 0 HA SER A 49 2.265 -6.486 -11.227 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.358 -7.698 -11.166 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.638 -6.292 -10.846 1.00 0.00 H new ATOM 0 HG SER A 49 -1.114 -7.257 -12.898 1.00 0.00 H new ATOM 774 N ARG A 50 0.913 -3.822 -12.635 1.00 0.00 N ATOM 775 CA ARG A 50 1.034 -2.904 -13.766 1.00 0.00 C ATOM 776 C ARG A 50 2.190 -1.932 -13.568 1.00 0.00 C ATOM 777 O ARG A 50 2.486 -1.125 -14.449 1.00 0.00 O ATOM 778 CB ARG A 50 -0.269 -2.135 -14.038 1.00 0.00 C ATOM 779 CG ARG A 50 -1.084 -1.817 -12.801 1.00 0.00 C ATOM 780 CD ARG A 50 -1.378 -0.329 -12.685 1.00 0.00 C ATOM 781 NE ARG A 50 -1.899 0.228 -13.932 1.00 0.00 N ATOM 782 CZ ARG A 50 -3.163 0.097 -14.330 1.00 0.00 C ATOM 783 NH1 ARG A 50 -4.035 -0.568 -13.584 1.00 0.00 N ATOM 784 NH2 ARG A 50 -3.555 0.634 -15.477 1.00 0.00 N ATOM 0 H ARG A 50 0.259 -3.521 -11.912 1.00 0.00 H new ATOM 0 HA ARG A 50 1.241 -3.519 -14.642 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.025 -1.202 -14.546 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.884 -2.719 -14.722 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.022 -2.371 -12.831 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.545 -2.151 -11.915 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.100 -0.164 -11.885 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.467 0.199 -12.405 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.258 0.747 -14.532 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.739 -0.982 -12.700 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.002 -0.665 -13.894 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.889 1.147 -16.054 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.523 0.534 -15.782 1.00 0.00 H new ATOM 798 N THR A 51 2.867 -2.029 -12.426 1.00 0.00 N ATOM 799 CA THR A 51 4.006 -1.172 -12.161 1.00 0.00 C ATOM 800 C THR A 51 5.272 -1.866 -12.651 1.00 0.00 C ATOM 801 O THR A 51 5.721 -2.851 -12.064 1.00 0.00 O ATOM 802 CB THR A 51 4.098 -0.845 -10.664 1.00 0.00 C ATOM 803 OG1 THR A 51 3.007 -0.039 -10.269 1.00 0.00 O ATOM 804 CG2 THR A 51 5.368 -0.113 -10.286 1.00 0.00 C ATOM 0 H THR A 51 2.645 -2.688 -11.680 1.00 0.00 H new ATOM 0 HA THR A 51 3.887 -0.229 -12.694 1.00 0.00 H new ATOM 0 HB THR A 51 4.090 -1.808 -10.153 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.183 -0.569 -10.293 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.368 0.087 -9.214 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.232 -0.727 -10.540 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.420 0.830 -10.831 1.00 0.00 H new ATOM 812 N GLY A 52 5.824 -1.364 -13.751 1.00 0.00 N ATOM 813 CA GLY A 52 7.014 -1.965 -14.332 1.00 0.00 C ATOM 814 C GLY A 52 8.313 -1.488 -13.709 1.00 0.00 C ATOM 815 O GLY A 52 9.312 -1.321 -14.410 1.00 0.00 O ATOM 0 H GLY A 52 5.469 -0.550 -14.252 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.949 -3.048 -14.228 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.034 -1.748 -15.400 1.00 0.00 H new ATOM 819 N ALA A 53 8.313 -1.288 -12.397 1.00 0.00 N ATOM 820 CA ALA A 53 9.514 -0.847 -11.694 1.00 0.00 C ATOM 821 C ALA A 53 10.005 0.504 -12.205 1.00 0.00 C ATOM 822 O ALA A 53 10.093 0.731 -13.411 1.00 0.00 O ATOM 823 CB ALA A 53 10.613 -1.886 -11.836 1.00 0.00 C ATOM 0 H ALA A 53 7.498 -1.423 -11.799 1.00 0.00 H new ATOM 0 HA ALA A 53 9.256 -0.731 -10.641 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.504 -1.547 -11.308 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.277 -2.832 -11.411 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.847 -2.026 -12.891 1.00 0.00 H new ATOM 829 N GLY A 54 10.327 1.398 -11.277 1.00 0.00 N ATOM 830 CA GLY A 54 10.806 2.713 -11.653 1.00 0.00 C ATOM 831 C GLY A 54 9.682 3.640 -12.060 1.00 0.00 C ATOM 832 O GLY A 54 9.919 4.798 -12.409 1.00 0.00 O ATOM 0 H GLY A 54 10.265 1.235 -10.272 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.350 3.151 -10.817 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.512 2.618 -12.478 1.00 0.00 H new ATOM 836 N GLU A 55 8.452 3.135 -12.019 1.00 0.00 N ATOM 837 CA GLU A 55 7.294 3.931 -12.387 1.00 0.00 C ATOM 838 C GLU A 55 6.224 3.866 -11.304 1.00 0.00 C ATOM 839 O GLU A 55 5.754 2.786 -10.944 1.00 0.00 O ATOM 840 CB GLU A 55 6.717 3.451 -13.722 1.00 0.00 C ATOM 841 CG GLU A 55 7.775 3.141 -14.769 1.00 0.00 C ATOM 842 CD GLU A 55 7.659 4.023 -15.997 1.00 0.00 C ATOM 843 OE1 GLU A 55 6.535 4.165 -16.522 1.00 0.00 O ATOM 844 OE2 GLU A 55 8.693 4.571 -16.434 1.00 0.00 O ATOM 0 H GLU A 55 8.236 2.180 -11.735 1.00 0.00 H new ATOM 0 HA GLU A 55 7.617 4.967 -12.493 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.118 2.557 -13.548 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.045 4.215 -14.113 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.764 3.267 -14.328 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.690 2.096 -15.068 1.00 0.00 H new ATOM 851 N ARG A 56 5.842 5.029 -10.792 1.00 0.00 N ATOM 852 CA ARG A 56 4.825 5.107 -9.752 1.00 0.00 C ATOM 853 C ARG A 56 3.432 5.083 -10.370 1.00 0.00 C ATOM 854 O ARG A 56 3.233 5.568 -11.484 1.00 0.00 O ATOM 855 CB ARG A 56 5.013 6.380 -8.924 1.00 0.00 C ATOM 856 CG ARG A 56 6.457 6.636 -8.522 1.00 0.00 C ATOM 857 CD ARG A 56 6.768 8.123 -8.468 1.00 0.00 C ATOM 858 NE ARG A 56 7.120 8.656 -9.783 1.00 0.00 N ATOM 859 CZ ARG A 56 7.821 9.772 -9.969 1.00 0.00 C ATOM 860 NH1 ARG A 56 8.239 10.483 -8.928 1.00 0.00 N ATOM 861 NH2 ARG A 56 8.103 10.181 -11.198 1.00 0.00 N ATOM 0 H ARG A 56 6.221 5.931 -11.080 1.00 0.00 H new ATOM 0 HA ARG A 56 4.930 4.243 -9.096 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.647 7.233 -9.496 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.401 6.313 -8.025 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.649 6.188 -7.547 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.125 6.150 -9.233 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.903 8.660 -8.078 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.591 8.297 -7.774 1.00 0.00 H new ATOM 0 HE ARG A 56 6.810 8.142 -10.607 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.023 10.175 -7.980 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.776 11.337 -9.077 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.783 9.640 -12.001 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.640 11.036 -11.340 1.00 0.00 H new ATOM 875 N GLN A 57 2.471 4.514 -9.650 1.00 0.00 N ATOM 876 CA GLN A 57 1.102 4.432 -10.152 1.00 0.00 C ATOM 877 C GLN A 57 0.106 5.055 -9.187 1.00 0.00 C ATOM 878 O GLN A 57 0.374 5.219 -7.997 1.00 0.00 O ATOM 879 CB GLN A 57 0.697 2.976 -10.430 1.00 0.00 C ATOM 880 CG GLN A 57 1.576 2.284 -11.459 1.00 0.00 C ATOM 881 CD GLN A 57 1.247 2.699 -12.879 1.00 0.00 C ATOM 882 OE1 GLN A 57 0.286 3.429 -13.119 1.00 0.00 O ATOM 883 NE2 GLN A 57 2.047 2.233 -13.832 1.00 0.00 N ATOM 0 H GLN A 57 2.611 4.106 -8.726 1.00 0.00 H new ATOM 0 HA GLN A 57 1.080 4.995 -11.085 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.733 2.414 -9.497 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.337 2.955 -10.775 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.621 2.512 -11.251 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.460 1.204 -11.364 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.833 1.630 -13.588 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.875 2.478 -14.807 1.00 0.00 H new ATOM 892 N SER A 58 -1.059 5.370 -9.727 1.00 0.00 N ATOM 893 CA SER A 58 -2.152 5.947 -8.975 1.00 0.00 C ATOM 894 C SER A 58 -3.451 5.564 -9.669 1.00 0.00 C ATOM 895 O SER A 58 -3.801 6.117 -10.711 1.00 0.00 O ATOM 896 CB SER A 58 -2.016 7.469 -8.891 1.00 0.00 C ATOM 897 OG SER A 58 -3.160 8.052 -8.291 1.00 0.00 O ATOM 0 H SER A 58 -1.272 5.229 -10.715 1.00 0.00 H new ATOM 0 HA SER A 58 -2.142 5.566 -7.954 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.128 7.726 -8.314 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.877 7.880 -9.891 1.00 0.00 H new ATOM 0 HG SER A 58 -3.047 9.025 -8.248 1.00 0.00 H new ATOM 903 N ILE A 59 -4.140 4.589 -9.102 1.00 0.00 N ATOM 904 CA ILE A 59 -5.385 4.091 -9.683 1.00 0.00 C ATOM 905 C ILE A 59 -6.577 4.904 -9.209 1.00 0.00 C ATOM 906 O ILE A 59 -7.045 4.750 -8.083 1.00 0.00 O ATOM 907 CB ILE A 59 -5.617 2.595 -9.349 1.00 0.00 C ATOM 908 CG1 ILE A 59 -4.454 2.045 -8.535 1.00 0.00 C ATOM 909 CG2 ILE A 59 -5.775 1.776 -10.618 1.00 0.00 C ATOM 910 CD1 ILE A 59 -4.727 0.701 -7.913 1.00 0.00 C ATOM 0 H ILE A 59 -3.862 4.123 -8.239 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.289 4.195 -10.764 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.534 2.522 -8.764 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.578 1.965 -9.179 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.207 2.756 -7.747 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.937 0.730 -10.358 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.629 2.145 -11.185 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.872 1.864 -11.223 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.852 0.376 -7.350 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.583 0.778 -7.242 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.944 -0.025 -8.696 1.00 0.00 H new ATOM 922 N GLU A 60 -7.062 5.768 -10.089 1.00 0.00 N ATOM 923 CA GLU A 60 -8.203 6.618 -9.783 1.00 0.00 C ATOM 924 C GLU A 60 -9.511 5.855 -9.937 1.00 0.00 C ATOM 925 O GLU A 60 -9.936 5.545 -11.050 1.00 0.00 O ATOM 926 CB GLU A 60 -8.209 7.848 -10.693 1.00 0.00 C ATOM 927 CG GLU A 60 -6.844 8.499 -10.844 1.00 0.00 C ATOM 928 CD GLU A 60 -6.136 8.079 -12.117 1.00 0.00 C ATOM 929 OE1 GLU A 60 -5.995 6.859 -12.343 1.00 0.00 O ATOM 930 OE2 GLU A 60 -5.722 8.971 -12.888 1.00 0.00 O ATOM 0 H GLU A 60 -6.680 5.899 -11.026 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.112 6.940 -8.746 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.576 7.559 -11.678 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.910 8.581 -10.294 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.960 9.583 -10.838 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.225 8.239 -9.985 1.00 0.00 H new ATOM 937 N GLU A 61 -10.147 5.562 -8.810 1.00 0.00 N ATOM 938 CA GLU A 61 -11.412 4.842 -8.809 1.00 0.00 C ATOM 939 C GLU A 61 -12.565 5.801 -8.542 1.00 0.00 C ATOM 940 O GLU A 61 -12.346 6.975 -8.245 1.00 0.00 O ATOM 941 CB GLU A 61 -11.397 3.734 -7.756 1.00 0.00 C ATOM 942 CG GLU A 61 -10.740 2.449 -8.231 1.00 0.00 C ATOM 943 CD GLU A 61 -11.254 1.227 -7.495 1.00 0.00 C ATOM 944 OE1 GLU A 61 -12.451 0.905 -7.645 1.00 0.00 O ATOM 945 OE2 GLU A 61 -10.459 0.593 -6.770 1.00 0.00 O ATOM 0 H GLU A 61 -9.805 5.813 -7.882 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.551 4.388 -9.790 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.873 4.094 -6.870 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.422 3.518 -7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.918 2.327 -9.299 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.661 2.524 -8.094 1.00 0.00 H new ATOM 952 N GLY A 62 -13.793 5.296 -8.650 1.00 0.00 N ATOM 953 CA GLY A 62 -14.968 6.123 -8.416 1.00 0.00 C ATOM 954 C GLY A 62 -14.804 7.062 -7.233 1.00 0.00 C ATOM 955 O GLY A 62 -15.387 8.145 -7.207 1.00 0.00 O ATOM 0 H GLY A 62 -13.996 4.327 -8.896 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.178 6.708 -9.311 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.831 5.479 -8.246 1.00 0.00 H new ATOM 959 N ASN A 63 -14.004 6.646 -6.255 1.00 0.00 N ATOM 960 CA ASN A 63 -13.759 7.457 -5.068 1.00 0.00 C ATOM 961 C ASN A 63 -12.527 6.965 -4.310 1.00 0.00 C ATOM 962 O ASN A 63 -12.527 6.907 -3.080 1.00 0.00 O ATOM 963 CB ASN A 63 -14.985 7.436 -4.151 1.00 0.00 C ATOM 964 CG ASN A 63 -15.427 8.829 -3.744 1.00 0.00 C ATOM 965 OD1 ASN A 63 -15.582 9.714 -4.584 1.00 0.00 O ATOM 966 ND2 ASN A 63 -15.630 9.028 -2.447 1.00 0.00 N ATOM 0 H ASN A 63 -13.514 5.751 -6.262 1.00 0.00 H new ATOM 0 HA ASN A 63 -13.573 8.481 -5.391 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -15.807 6.931 -4.659 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.757 6.855 -3.258 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -15.927 9.945 -2.112 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -15.489 8.264 -1.786 1.00 0.00 H new ATOM 973 N TYR A 64 -11.477 6.611 -5.049 1.00 0.00 N ATOM 974 CA TYR A 64 -10.243 6.125 -4.434 1.00 0.00 C ATOM 975 C TYR A 64 -9.026 6.417 -5.311 1.00 0.00 C ATOM 976 O TYR A 64 -9.150 6.933 -6.423 1.00 0.00 O ATOM 977 CB TYR A 64 -10.325 4.618 -4.170 1.00 0.00 C ATOM 978 CG TYR A 64 -11.684 4.136 -3.709 1.00 0.00 C ATOM 979 CD1 TYR A 64 -12.736 3.995 -4.605 1.00 0.00 C ATOM 980 CD2 TYR A 64 -11.912 3.811 -2.377 1.00 0.00 C ATOM 981 CE1 TYR A 64 -13.976 3.547 -4.189 1.00 0.00 C ATOM 982 CE2 TYR A 64 -13.148 3.362 -1.953 1.00 0.00 C ATOM 983 CZ TYR A 64 -14.176 3.232 -2.862 1.00 0.00 C ATOM 984 OH TYR A 64 -15.408 2.784 -2.444 1.00 0.00 O ATOM 0 H TYR A 64 -11.455 6.651 -6.068 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.127 6.654 -3.488 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.055 4.087 -5.083 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.584 4.353 -3.416 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -12.582 4.240 -5.646 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -11.109 3.911 -1.661 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -14.783 3.444 -4.899 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -13.308 3.114 -0.914 1.00 0.00 H new ATOM 0 HH TYR A 64 -15.382 2.605 -1.481 1.00 0.00 H new ATOM 994 N ILE A 65 -7.851 6.065 -4.796 1.00 0.00 N ATOM 995 CA ILE A 65 -6.591 6.258 -5.506 1.00 0.00 C ATOM 996 C ILE A 65 -5.568 5.231 -5.036 1.00 0.00 C ATOM 997 O ILE A 65 -5.102 5.287 -3.902 1.00 0.00 O ATOM 998 CB ILE A 65 -6.015 7.681 -5.292 1.00 0.00 C ATOM 999 CG1 ILE A 65 -6.499 8.611 -6.409 1.00 0.00 C ATOM 1000 CG2 ILE A 65 -4.486 7.654 -5.233 1.00 0.00 C ATOM 1001 CD1 ILE A 65 -5.702 9.892 -6.522 1.00 0.00 C ATOM 0 H ILE A 65 -7.746 5.638 -3.875 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.795 6.131 -6.569 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.375 8.060 -4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.451 8.079 -7.359 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.546 8.859 -6.235 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.110 8.666 -5.082 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.165 7.020 -4.406 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.093 7.256 -6.169 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.103 10.499 -7.334 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.770 10.447 -5.586 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.658 9.654 -6.728 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.219 4.296 -5.908 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.248 3.284 -5.538 1.00 0.00 C ATOM 1015 C GLY A 66 -2.840 3.706 -5.852 1.00 0.00 C ATOM 1016 O GLY A 66 -2.289 3.351 -6.895 1.00 0.00 O ATOM 0 H GLY A 66 -5.586 4.219 -6.857 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.333 3.074 -4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.474 2.357 -6.065 1.00 0.00 H new ATOM 1020 N HIS A 67 -2.251 4.469 -4.945 1.00 0.00 N ATOM 1021 CA HIS A 67 -0.896 4.943 -5.130 1.00 0.00 C ATOM 1022 C HIS A 67 0.065 3.762 -5.241 1.00 0.00 C ATOM 1023 O HIS A 67 -0.226 2.671 -4.750 1.00 0.00 O ATOM 1024 CB HIS A 67 -0.485 5.854 -3.976 1.00 0.00 C ATOM 1025 CG HIS A 67 -1.154 7.192 -4.008 1.00 0.00 C ATOM 1026 ND1 HIS A 67 -1.048 8.063 -5.071 1.00 0.00 N ATOM 1027 CD2 HIS A 67 -1.947 7.804 -3.099 1.00 0.00 C ATOM 1028 CE1 HIS A 67 -1.747 9.154 -4.814 1.00 0.00 C ATOM 1029 NE2 HIS A 67 -2.302 9.022 -3.624 1.00 0.00 N ATOM 0 H HIS A 67 -2.692 4.771 -4.076 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.853 5.518 -6.055 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.720 5.361 -3.033 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.595 5.996 -4.002 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.245 7.408 -2.139 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -1.847 10.009 -5.467 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -2.898 9.713 -3.168 1.00 0.00 H new ATOM 1038 N VAL A 68 1.199 3.974 -5.896 1.00 0.00 N ATOM 1039 CA VAL A 68 2.180 2.911 -6.074 1.00 0.00 C ATOM 1040 C VAL A 68 3.588 3.485 -6.220 1.00 0.00 C ATOM 1041 O VAL A 68 3.790 4.500 -6.885 1.00 0.00 O ATOM 1042 CB VAL A 68 1.808 2.049 -7.310 1.00 0.00 C ATOM 1043 CG1 VAL A 68 2.979 1.811 -8.257 1.00 0.00 C ATOM 1044 CG2 VAL A 68 1.228 0.716 -6.893 1.00 0.00 C ATOM 0 H VAL A 68 1.462 4.868 -6.311 1.00 0.00 H new ATOM 0 HA VAL A 68 2.170 2.278 -5.187 1.00 0.00 H new ATOM 0 HB VAL A 68 1.059 2.627 -7.851 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.649 1.202 -9.098 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.349 2.768 -8.625 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.777 1.293 -7.725 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.977 0.135 -7.780 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.960 0.171 -6.297 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.328 0.880 -6.301 1.00 0.00 H new ATOM 1054 N TYR A 69 4.557 2.814 -5.610 1.00 0.00 N ATOM 1055 CA TYR A 69 5.948 3.240 -5.684 1.00 0.00 C ATOM 1056 C TYR A 69 6.866 2.029 -5.778 1.00 0.00 C ATOM 1057 O TYR A 69 6.994 1.257 -4.826 1.00 0.00 O ATOM 1058 CB TYR A 69 6.322 4.083 -4.462 1.00 0.00 C ATOM 1059 CG TYR A 69 6.630 5.528 -4.783 1.00 0.00 C ATOM 1060 CD1 TYR A 69 5.653 6.371 -5.297 1.00 0.00 C ATOM 1061 CD2 TYR A 69 7.899 6.050 -4.565 1.00 0.00 C ATOM 1062 CE1 TYR A 69 5.932 7.694 -5.583 1.00 0.00 C ATOM 1063 CE2 TYR A 69 8.186 7.371 -4.851 1.00 0.00 C ATOM 1064 CZ TYR A 69 7.199 8.189 -5.358 1.00 0.00 C ATOM 1065 OH TYR A 69 7.480 9.505 -5.642 1.00 0.00 O ATOM 0 H TYR A 69 4.404 1.970 -5.057 1.00 0.00 H new ATOM 0 HA TYR A 69 6.070 3.850 -6.579 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.502 4.048 -3.744 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.190 3.636 -3.977 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.660 5.987 -5.476 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.674 5.413 -4.165 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.161 8.337 -5.981 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.178 7.761 -4.678 1.00 0.00 H new ATOM 0 HH TYR A 69 7.725 9.973 -4.816 1.00 0.00 H new ATOM 1075 N ALA A 70 7.497 1.865 -6.931 1.00 0.00 N ATOM 1076 CA ALA A 70 8.400 0.743 -7.147 1.00 0.00 C ATOM 1077 C ALA A 70 9.823 1.100 -6.739 1.00 0.00 C ATOM 1078 O ALA A 70 10.231 2.260 -6.810 1.00 0.00 O ATOM 1079 CB ALA A 70 8.353 0.296 -8.599 1.00 0.00 C ATOM 0 H ALA A 70 7.401 2.492 -7.730 1.00 0.00 H new ATOM 0 HA ALA A 70 8.070 -0.085 -6.519 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.033 -0.543 -8.744 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.338 -0.012 -8.852 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.653 1.122 -9.244 1.00 0.00 H new ATOM 1085 N ARG A 71 10.573 0.094 -6.306 1.00 0.00 N ATOM 1086 CA ARG A 71 11.955 0.293 -5.877 1.00 0.00 C ATOM 1087 C ARG A 71 12.926 0.036 -7.024 1.00 0.00 C ATOM 1088 O ARG A 71 12.516 -0.257 -8.145 1.00 0.00 O ATOM 1089 CB ARG A 71 12.299 -0.611 -4.685 1.00 0.00 C ATOM 1090 CG ARG A 71 11.541 -1.932 -4.655 1.00 0.00 C ATOM 1091 CD ARG A 71 11.847 -2.789 -5.873 1.00 0.00 C ATOM 1092 NE ARG A 71 10.654 -3.038 -6.684 1.00 0.00 N ATOM 1093 CZ ARG A 71 10.623 -2.974 -8.014 1.00 0.00 C ATOM 1094 NH1 ARG A 71 11.706 -2.633 -8.700 1.00 0.00 N ATOM 1095 NH2 ARG A 71 9.498 -3.247 -8.660 1.00 0.00 N ATOM 0 H ARG A 71 10.248 -0.871 -6.242 1.00 0.00 H new ATOM 0 HA ARG A 71 12.054 1.332 -5.564 1.00 0.00 H new ATOM 0 HB2 ARG A 71 13.369 -0.821 -4.701 1.00 0.00 H new ATOM 0 HB3 ARG A 71 12.094 -0.068 -3.762 1.00 0.00 H new ATOM 0 HG2 ARG A 71 11.803 -2.480 -3.750 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.470 -1.735 -4.609 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.603 -2.295 -6.483 1.00 0.00 H new ATOM 0 HD3 ARG A 71 12.270 -3.740 -5.550 1.00 0.00 H new ATOM 0 HE ARG A 71 9.789 -3.276 -6.198 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.574 -2.417 -8.209 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.671 -2.587 -9.718 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.660 -3.505 -8.139 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.470 -3.199 -9.678 1.00 0.00 H new ATOM 1109 N SER A 72 14.218 0.153 -6.732 1.00 0.00 N ATOM 1110 CA SER A 72 15.257 -0.064 -7.734 1.00 0.00 C ATOM 1111 C SER A 72 15.029 -1.366 -8.497 1.00 0.00 C ATOM 1112 O SER A 72 15.004 -1.377 -9.728 1.00 0.00 O ATOM 1113 CB SER A 72 16.635 -0.084 -7.072 1.00 0.00 C ATOM 1114 OG SER A 72 17.653 -0.353 -8.020 1.00 0.00 O ATOM 0 H SER A 72 14.571 0.398 -5.807 1.00 0.00 H new ATOM 0 HA SER A 72 15.211 0.760 -8.446 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.825 0.876 -6.592 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.654 -0.841 -6.288 1.00 0.00 H new ATOM 0 HG SER A 72 18.524 -0.359 -7.572 1.00 0.00 H new ATOM 1120 N GLU A 73 14.864 -2.464 -7.762 1.00 0.00 N ATOM 1121 CA GLU A 73 14.642 -3.768 -8.382 1.00 0.00 C ATOM 1122 C GLU A 73 14.420 -4.851 -7.331 1.00 0.00 C ATOM 1123 O GLU A 73 15.376 -5.363 -6.747 1.00 0.00 O ATOM 1124 CB GLU A 73 15.834 -4.142 -9.265 1.00 0.00 C ATOM 1125 CG GLU A 73 15.513 -5.210 -10.299 1.00 0.00 C ATOM 1126 CD GLU A 73 16.652 -6.191 -10.496 1.00 0.00 C ATOM 1127 OE1 GLU A 73 17.372 -6.470 -9.514 1.00 0.00 O ATOM 1128 OE2 GLU A 73 16.825 -6.679 -11.633 1.00 0.00 O ATOM 0 H GLU A 73 14.880 -2.477 -6.742 1.00 0.00 H new ATOM 0 HA GLU A 73 13.744 -3.697 -8.995 1.00 0.00 H new ATOM 0 HB2 GLU A 73 16.191 -3.248 -9.777 1.00 0.00 H new ATOM 0 HB3 GLU A 73 16.648 -4.494 -8.632 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.620 -5.753 -9.990 1.00 0.00 H new ATOM 0 HG3 GLU A 73 15.282 -4.731 -11.251 1.00 0.00 H new ATOM 1135 N GLY A 74 13.158 -5.207 -7.099 1.00 0.00 N ATOM 1136 CA GLY A 74 12.853 -6.238 -6.124 1.00 0.00 C ATOM 1137 C GLY A 74 11.381 -6.306 -5.764 1.00 0.00 C ATOM 1138 O GLY A 74 10.605 -6.983 -6.437 1.00 0.00 O ATOM 0 H GLY A 74 12.347 -4.802 -7.566 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.169 -7.205 -6.516 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.433 -6.056 -5.219 1.00 0.00 H new ATOM 1142 N ILE A 75 10.993 -5.621 -4.690 1.00 0.00 N ATOM 1143 CA ILE A 75 9.602 -5.639 -4.247 1.00 0.00 C ATOM 1144 C ILE A 75 9.005 -4.230 -4.181 1.00 0.00 C ATOM 1145 O ILE A 75 9.504 -3.359 -3.470 1.00 0.00 O ATOM 1146 CB ILE A 75 9.447 -6.374 -2.881 1.00 0.00 C ATOM 1147 CG1 ILE A 75 9.401 -5.405 -1.689 1.00 0.00 C ATOM 1148 CG2 ILE A 75 10.574 -7.378 -2.686 1.00 0.00 C ATOM 1149 CD1 ILE A 75 10.691 -4.649 -1.450 1.00 0.00 C ATOM 0 H ILE A 75 11.616 -5.052 -4.116 1.00 0.00 H new ATOM 0 HA ILE A 75 9.039 -6.198 -4.995 1.00 0.00 H new ATOM 0 HB ILE A 75 8.491 -6.896 -2.913 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.597 -4.687 -1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.151 -5.966 -0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.450 -7.882 -1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.548 -8.114 -3.489 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.532 -6.858 -2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.572 -3.988 -0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.497 -5.357 -1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.935 -4.057 -2.332 1.00 0.00 H new ATOM 1161 N CYS A 76 7.932 -4.019 -4.941 1.00 0.00 N ATOM 1162 CA CYS A 76 7.254 -2.726 -4.986 1.00 0.00 C ATOM 1163 C CYS A 76 6.167 -2.653 -3.920 1.00 0.00 C ATOM 1164 O CYS A 76 5.679 -3.678 -3.453 1.00 0.00 O ATOM 1165 CB CYS A 76 6.649 -2.499 -6.376 1.00 0.00 C ATOM 1166 SG CYS A 76 5.597 -1.033 -6.512 1.00 0.00 S ATOM 0 H CYS A 76 7.512 -4.732 -5.537 1.00 0.00 H new ATOM 0 HA CYS A 76 7.985 -1.943 -4.785 1.00 0.00 H new ATOM 0 HB2 CYS A 76 7.459 -2.417 -7.101 1.00 0.00 H new ATOM 0 HB3 CYS A 76 6.063 -3.376 -6.650 1.00 0.00 H new ATOM 0 HG CYS A 76 4.681 -1.238 -7.411 1.00 0.00 H new ATOM 1172 N GLY A 77 5.786 -1.438 -3.539 1.00 0.00 N ATOM 1173 CA GLY A 77 4.753 -1.273 -2.530 1.00 0.00 C ATOM 1174 C GLY A 77 3.537 -0.546 -3.062 1.00 0.00 C ATOM 1175 O GLY A 77 3.661 0.325 -3.923 1.00 0.00 O ATOM 0 H GLY A 77 6.171 -0.568 -3.908 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.453 -2.253 -2.158 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.161 -0.721 -1.683 1.00 0.00 H new ATOM 1179 N VAL A 78 2.352 -0.895 -2.557 1.00 0.00 N ATOM 1180 CA VAL A 78 1.132 -0.244 -3.013 1.00 0.00 C ATOM 1181 C VAL A 78 0.286 0.284 -1.855 1.00 0.00 C ATOM 1182 O VAL A 78 0.078 -0.402 -0.851 1.00 0.00 O ATOM 1183 CB VAL A 78 0.251 -1.186 -3.869 1.00 0.00 C ATOM 1184 CG1 VAL A 78 -0.984 -0.464 -4.389 1.00 0.00 C ATOM 1185 CG2 VAL A 78 1.049 -1.795 -5.010 1.00 0.00 C ATOM 0 H VAL A 78 2.216 -1.612 -1.845 1.00 0.00 H new ATOM 0 HA VAL A 78 1.468 0.594 -3.624 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.086 -1.999 -3.226 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.583 -1.151 -4.987 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.576 -0.104 -3.548 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.679 0.381 -5.006 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.405 -2.452 -5.594 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.433 -1.001 -5.650 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.882 -2.370 -4.605 1.00 0.00 H new ATOM 1195 N LEU A 79 -0.221 1.503 -2.020 1.00 0.00 N ATOM 1196 CA LEU A 79 -1.077 2.117 -1.008 1.00 0.00 C ATOM 1197 C LEU A 79 -2.277 2.806 -1.662 1.00 0.00 C ATOM 1198 O LEU A 79 -2.108 3.678 -2.513 1.00 0.00 O ATOM 1199 CB LEU A 79 -0.296 3.107 -0.131 1.00 0.00 C ATOM 1200 CG LEU A 79 1.094 3.508 -0.634 1.00 0.00 C ATOM 1201 CD1 LEU A 79 1.023 4.833 -1.382 1.00 0.00 C ATOM 1202 CD2 LEU A 79 2.071 3.597 0.532 1.00 0.00 C ATOM 0 H LEU A 79 -0.055 2.084 -2.842 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.443 1.321 -0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.894 4.012 -0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.188 2.673 0.863 1.00 0.00 H new ATOM 0 HG LEU A 79 1.453 2.744 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.018 5.106 -1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.351 4.734 -2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.649 5.609 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.055 3.883 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.721 4.344 1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.137 2.628 1.026 1.00 0.00 H new ATOM 1214 N ILE A 80 -3.488 2.406 -1.269 1.00 0.00 N ATOM 1215 CA ILE A 80 -4.706 2.990 -1.837 1.00 0.00 C ATOM 1216 C ILE A 80 -5.409 3.910 -0.843 1.00 0.00 C ATOM 1217 O ILE A 80 -5.706 3.516 0.282 1.00 0.00 O ATOM 1218 CB ILE A 80 -5.711 1.907 -2.307 1.00 0.00 C ATOM 1219 CG1 ILE A 80 -5.053 0.528 -2.338 1.00 0.00 C ATOM 1220 CG2 ILE A 80 -6.269 2.262 -3.675 1.00 0.00 C ATOM 1221 CD1 ILE A 80 -5.937 -0.552 -2.919 1.00 0.00 C ATOM 0 H ILE A 80 -3.652 1.686 -0.565 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.380 3.570 -2.701 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.534 1.873 -1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.134 0.586 -2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.770 0.247 -1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.973 1.492 -3.992 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.781 3.223 -3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.453 2.326 -4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.404 -1.503 -2.909 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.845 -0.639 -2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.200 -0.294 -3.945 1.00 0.00 H new ATOM 1233 N THR A 81 -5.677 5.139 -1.280 1.00 0.00 N ATOM 1234 CA THR A 81 -6.349 6.129 -0.448 1.00 0.00 C ATOM 1235 C THR A 81 -7.361 6.926 -1.274 1.00 0.00 C ATOM 1236 O THR A 81 -7.610 6.602 -2.431 1.00 0.00 O ATOM 1237 CB THR A 81 -5.320 7.055 0.197 1.00 0.00 C ATOM 1238 OG1 THR A 81 -5.950 8.136 0.860 1.00 0.00 O ATOM 1239 CG2 THR A 81 -4.332 7.620 -0.793 1.00 0.00 C ATOM 0 H THR A 81 -5.436 5.473 -2.213 1.00 0.00 H new ATOM 0 HA THR A 81 -6.894 5.614 0.343 1.00 0.00 H new ATOM 0 HB THR A 81 -4.778 6.434 0.910 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.271 8.777 1.158 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.628 8.270 -0.274 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.789 6.805 -1.271 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.864 8.195 -1.551 1.00 0.00 H new ATOM 1247 N ASP A 82 -7.959 7.954 -0.676 1.00 0.00 N ATOM 1248 CA ASP A 82 -8.956 8.768 -1.364 1.00 0.00 C ATOM 1249 C ASP A 82 -8.319 9.711 -2.381 1.00 0.00 C ATOM 1250 O ASP A 82 -7.120 9.984 -2.331 1.00 0.00 O ATOM 1251 CB ASP A 82 -9.767 9.572 -0.346 1.00 0.00 C ATOM 1252 CG ASP A 82 -10.963 10.262 -0.972 1.00 0.00 C ATOM 1253 OD1 ASP A 82 -11.931 9.560 -1.335 1.00 0.00 O ATOM 1254 OD2 ASP A 82 -10.932 11.504 -1.099 1.00 0.00 O ATOM 0 H ASP A 82 -7.770 8.242 0.284 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.615 8.091 -1.908 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.109 8.908 0.448 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.123 10.319 0.119 1.00 0.00 H new ATOM 1259 N LYS A 83 -9.143 10.205 -3.304 1.00 0.00 N ATOM 1260 CA LYS A 83 -8.680 11.121 -4.341 1.00 0.00 C ATOM 1261 C LYS A 83 -8.072 12.379 -3.729 1.00 0.00 C ATOM 1262 O LYS A 83 -7.279 13.070 -4.369 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.835 11.498 -5.271 1.00 0.00 C ATOM 1264 CG LYS A 83 -10.948 12.269 -4.580 1.00 0.00 C ATOM 1265 CD LYS A 83 -11.945 12.830 -5.582 1.00 0.00 C ATOM 1266 CE LYS A 83 -12.927 11.767 -6.048 1.00 0.00 C ATOM 1267 NZ LYS A 83 -14.241 11.882 -5.357 1.00 0.00 N ATOM 0 H LYS A 83 -10.138 9.984 -3.353 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.908 10.613 -4.919 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.446 12.098 -6.094 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.251 10.589 -5.707 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.465 11.613 -3.879 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.519 13.084 -3.997 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.491 13.657 -5.129 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.410 13.234 -6.441 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.074 11.856 -7.124 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.506 10.779 -5.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.647 10.934 -5.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.108 12.336 -4.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.888 12.456 -5.934 1.00 0.00 H new ATOM 1281 N GLN A 84 -8.437 12.669 -2.482 1.00 0.00 N ATOM 1282 CA GLN A 84 -7.915 13.839 -1.785 1.00 0.00 C ATOM 1283 C GLN A 84 -6.631 13.487 -1.040 1.00 0.00 C ATOM 1284 O GLN A 84 -6.352 14.021 0.033 1.00 0.00 O ATOM 1285 CB GLN A 84 -8.958 14.389 -0.809 1.00 0.00 C ATOM 1286 CG GLN A 84 -10.063 15.185 -1.486 1.00 0.00 C ATOM 1287 CD GLN A 84 -11.344 15.210 -0.675 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -12.076 14.222 -0.616 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -11.621 16.345 -0.043 1.00 0.00 N ATOM 0 H GLN A 84 -9.092 12.110 -1.935 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.689 14.607 -2.524 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -9.403 13.559 -0.260 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.459 15.025 -0.077 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -9.721 16.207 -1.650 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -10.267 14.755 -2.467 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -10.986 17.139 -0.120 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.469 16.422 0.519 1.00 0.00 H new ATOM 1298 N TYR A 85 -5.860 12.579 -1.626 1.00 0.00 N ATOM 1299 CA TYR A 85 -4.606 12.130 -1.053 1.00 0.00 C ATOM 1300 C TYR A 85 -3.502 12.247 -2.095 1.00 0.00 C ATOM 1301 O TYR A 85 -3.156 11.269 -2.756 1.00 0.00 O ATOM 1302 CB TYR A 85 -4.747 10.679 -0.605 1.00 0.00 C ATOM 1303 CG TYR A 85 -4.153 10.383 0.752 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -2.800 10.107 0.890 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -4.947 10.361 1.892 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -2.253 9.823 2.122 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -4.408 10.077 3.128 1.00 0.00 C ATOM 1308 CZ TYR A 85 -3.060 9.809 3.237 1.00 0.00 C ATOM 1309 OH TYR A 85 -2.516 9.536 4.467 1.00 0.00 O ATOM 0 H TYR A 85 -6.091 12.135 -2.514 1.00 0.00 H new ATOM 0 HA TYR A 85 -4.352 12.749 -0.192 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.805 10.418 -0.589 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.271 10.035 -1.345 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.165 10.115 0.016 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.003 10.570 1.808 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -1.198 9.613 2.212 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -5.037 10.064 4.006 1.00 0.00 H new ATOM 0 HH TYR A 85 -1.540 9.487 4.389 1.00 0.00 H new ATOM 1319 N PRO A 86 -2.946 13.451 -2.273 1.00 0.00 N ATOM 1320 CA PRO A 86 -1.893 13.694 -3.254 1.00 0.00 C ATOM 1321 C PRO A 86 -0.789 12.642 -3.206 1.00 0.00 C ATOM 1322 O PRO A 86 -0.774 11.777 -2.331 1.00 0.00 O ATOM 1323 CB PRO A 86 -1.352 15.081 -2.877 1.00 0.00 C ATOM 1324 CG PRO A 86 -2.013 15.445 -1.586 1.00 0.00 C ATOM 1325 CD PRO A 86 -3.298 14.675 -1.547 1.00 0.00 C ATOM 0 HA PRO A 86 -2.274 13.643 -4.274 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.268 15.060 -2.768 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.580 15.813 -3.652 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.379 15.189 -0.737 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.199 16.518 -1.532 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.617 14.466 -0.526 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.112 15.216 -2.030 1.00 0.00 H new ATOM 1333 N VAL A 87 0.123 12.717 -4.169 1.00 0.00 N ATOM 1334 CA VAL A 87 1.229 11.771 -4.264 1.00 0.00 C ATOM 1335 C VAL A 87 2.341 12.090 -3.267 1.00 0.00 C ATOM 1336 O VAL A 87 3.095 11.204 -2.867 1.00 0.00 O ATOM 1337 CB VAL A 87 1.829 11.756 -5.682 1.00 0.00 C ATOM 1338 CG1 VAL A 87 2.761 10.569 -5.856 1.00 0.00 C ATOM 1339 CG2 VAL A 87 0.727 11.737 -6.731 1.00 0.00 C ATOM 0 H VAL A 87 0.118 13.429 -4.900 1.00 0.00 H new ATOM 0 HA VAL A 87 0.813 10.791 -4.029 1.00 0.00 H new ATOM 0 HB VAL A 87 2.411 12.668 -5.818 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.175 10.576 -6.864 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.572 10.634 -5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.206 9.644 -5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.172 11.727 -7.726 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.114 10.846 -6.598 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.105 12.625 -6.621 1.00 0.00 H new ATOM 1349 N ARG A 88 2.451 13.358 -2.884 1.00 0.00 N ATOM 1350 CA ARG A 88 3.493 13.781 -1.947 1.00 0.00 C ATOM 1351 C ARG A 88 3.448 12.956 -0.663 1.00 0.00 C ATOM 1352 O ARG A 88 4.455 12.374 -0.261 1.00 0.00 O ATOM 1353 CB ARG A 88 3.378 15.276 -1.629 1.00 0.00 C ATOM 1354 CG ARG A 88 2.953 16.119 -2.822 1.00 0.00 C ATOM 1355 CD ARG A 88 3.931 17.251 -3.087 1.00 0.00 C ATOM 1356 NE ARG A 88 4.152 18.076 -1.901 1.00 0.00 N ATOM 1357 CZ ARG A 88 4.681 19.296 -1.934 1.00 0.00 C ATOM 1358 NH1 ARG A 88 5.045 19.839 -3.090 1.00 0.00 N ATOM 1359 NH2 ARG A 88 4.849 19.977 -0.808 1.00 0.00 N ATOM 0 H ARG A 88 1.838 14.108 -3.204 1.00 0.00 H new ATOM 0 HA ARG A 88 4.456 13.609 -2.428 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.658 15.413 -0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.339 15.637 -1.263 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.880 15.487 -3.707 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.960 16.531 -2.641 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.882 16.837 -3.422 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.552 17.875 -3.896 1.00 0.00 H new ATOM 0 HE ARG A 88 3.885 17.693 -0.994 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.919 19.320 -3.959 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.450 20.775 -3.109 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.573 19.565 0.083 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.255 20.913 -0.833 1.00 0.00 H new ATOM 1373 N PRO A 89 2.281 12.874 -0.002 1.00 0.00 N ATOM 1374 CA PRO A 89 2.137 12.092 1.224 1.00 0.00 C ATOM 1375 C PRO A 89 2.226 10.605 0.929 1.00 0.00 C ATOM 1376 O PRO A 89 2.769 9.835 1.721 1.00 0.00 O ATOM 1377 CB PRO A 89 0.743 12.465 1.751 1.00 0.00 C ATOM 1378 CG PRO A 89 0.294 13.625 0.921 1.00 0.00 C ATOM 1379 CD PRO A 89 1.015 13.505 -0.391 1.00 0.00 C ATOM 0 HA PRO A 89 2.924 12.303 1.948 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.052 11.627 1.659 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.782 12.731 2.807 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.786 13.604 0.775 1.00 0.00 H new ATOM 0 HG3 PRO A 89 0.532 14.569 1.411 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.460 12.895 -1.104 1.00 0.00 H new ATOM 0 HD3 PRO A 89 1.173 14.477 -0.858 1.00 0.00 H new ATOM 1387 N ALA A 90 1.726 10.212 -0.238 1.00 0.00 N ATOM 1388 CA ALA A 90 1.794 8.823 -0.651 1.00 0.00 C ATOM 1389 C ALA A 90 3.249 8.459 -0.872 1.00 0.00 C ATOM 1390 O ALA A 90 3.653 7.314 -0.678 1.00 0.00 O ATOM 1391 CB ALA A 90 0.974 8.590 -1.911 1.00 0.00 C ATOM 0 H ALA A 90 1.273 10.834 -0.907 1.00 0.00 H new ATOM 0 HA ALA A 90 1.372 8.186 0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.041 7.541 -2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.068 8.848 -1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.360 9.214 -2.717 1.00 0.00 H new ATOM 1397 N TYR A 91 4.042 9.463 -1.242 1.00 0.00 N ATOM 1398 CA TYR A 91 5.462 9.263 -1.438 1.00 0.00 C ATOM 1399 C TYR A 91 6.102 9.035 -0.077 1.00 0.00 C ATOM 1400 O TYR A 91 6.971 8.175 0.083 1.00 0.00 O ATOM 1401 CB TYR A 91 6.095 10.469 -2.138 1.00 0.00 C ATOM 1402 CG TYR A 91 7.603 10.397 -2.238 1.00 0.00 C ATOM 1403 CD1 TYR A 91 8.248 9.189 -2.475 1.00 0.00 C ATOM 1404 CD2 TYR A 91 8.382 11.538 -2.094 1.00 0.00 C ATOM 1405 CE1 TYR A 91 9.625 9.120 -2.566 1.00 0.00 C ATOM 1406 CE2 TYR A 91 9.760 11.478 -2.184 1.00 0.00 C ATOM 1407 CZ TYR A 91 10.376 10.267 -2.419 1.00 0.00 C ATOM 1408 OH TYR A 91 11.748 10.204 -2.509 1.00 0.00 O ATOM 0 H TYR A 91 3.720 10.416 -1.410 1.00 0.00 H new ATOM 0 HA TYR A 91 5.626 8.396 -2.078 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.678 10.555 -3.141 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.819 11.376 -1.599 1.00 0.00 H new ATOM 0 HD1 TYR A 91 7.663 8.289 -2.590 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.903 12.488 -1.909 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.110 8.173 -2.751 1.00 0.00 H new ATOM 0 HE2 TYR A 91 10.351 12.375 -2.071 1.00 0.00 H new ATOM 0 HH TYR A 91 12.126 11.100 -2.383 1.00 0.00 H new ATOM 1418 N THR A 92 5.632 9.792 0.915 1.00 0.00 N ATOM 1419 CA THR A 92 6.127 9.650 2.274 1.00 0.00 C ATOM 1420 C THR A 92 5.787 8.260 2.788 1.00 0.00 C ATOM 1421 O THR A 92 6.621 7.582 3.389 1.00 0.00 O ATOM 1422 CB THR A 92 5.503 10.706 3.184 1.00 0.00 C ATOM 1423 OG1 THR A 92 5.555 11.987 2.580 1.00 0.00 O ATOM 1424 CG2 THR A 92 6.175 10.805 4.535 1.00 0.00 C ATOM 0 H THR A 92 4.912 10.505 0.798 1.00 0.00 H new ATOM 0 HA THR A 92 7.208 9.789 2.275 1.00 0.00 H new ATOM 0 HB THR A 92 4.472 10.384 3.333 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.149 12.648 3.179 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.683 11.574 5.131 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.103 9.846 5.048 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.225 11.067 4.401 1.00 0.00 H new ATOM 1432 N LEU A 93 4.554 7.837 2.523 1.00 0.00 N ATOM 1433 CA LEU A 93 4.095 6.519 2.933 1.00 0.00 C ATOM 1434 C LEU A 93 4.911 5.452 2.231 1.00 0.00 C ATOM 1435 O LEU A 93 5.472 4.560 2.866 1.00 0.00 O ATOM 1436 CB LEU A 93 2.607 6.343 2.612 1.00 0.00 C ATOM 1437 CG LEU A 93 1.888 5.193 3.336 1.00 0.00 C ATOM 1438 CD1 LEU A 93 2.833 4.033 3.628 1.00 0.00 C ATOM 1439 CD2 LEU A 93 1.247 5.689 4.621 1.00 0.00 C ATOM 0 H LEU A 93 3.856 8.391 2.026 1.00 0.00 H new ATOM 0 HA LEU A 93 4.227 6.421 4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.092 7.274 2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.504 6.189 1.538 1.00 0.00 H new ATOM 0 HG LEU A 93 1.107 4.825 2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.288 3.240 4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.238 3.649 2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.650 4.380 4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.743 4.861 5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.016 6.094 5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.521 6.468 4.388 1.00 0.00 H new ATOM 1451 N LEU A 94 4.993 5.566 0.914 1.00 0.00 N ATOM 1452 CA LEU A 94 5.764 4.629 0.122 1.00 0.00 C ATOM 1453 C LEU A 94 7.241 4.721 0.493 1.00 0.00 C ATOM 1454 O LEU A 94 8.037 3.847 0.148 1.00 0.00 O ATOM 1455 CB LEU A 94 5.566 4.907 -1.368 1.00 0.00 C ATOM 1456 CG LEU A 94 4.123 4.756 -1.850 1.00 0.00 C ATOM 1457 CD1 LEU A 94 3.838 5.700 -3.008 1.00 0.00 C ATOM 1458 CD2 LEU A 94 3.839 3.312 -2.247 1.00 0.00 C ATOM 0 H LEU A 94 4.534 6.299 0.374 1.00 0.00 H new ATOM 0 HA LEU A 94 5.415 3.618 0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.905 5.920 -1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.200 4.229 -1.939 1.00 0.00 H new ATOM 0 HG LEU A 94 3.459 5.021 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.805 5.575 -3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.994 6.729 -2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.510 5.474 -3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.807 3.224 -2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.513 3.017 -3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.994 2.661 -1.387 1.00 0.00 H new ATOM 1470 N ASN A 95 7.593 5.780 1.223 1.00 0.00 N ATOM 1471 CA ASN A 95 8.969 5.989 1.658 1.00 0.00 C ATOM 1472 C ASN A 95 9.307 5.082 2.834 1.00 0.00 C ATOM 1473 O ASN A 95 10.152 4.193 2.725 1.00 0.00 O ATOM 1474 CB ASN A 95 9.188 7.454 2.044 1.00 0.00 C ATOM 1475 CG ASN A 95 10.262 8.119 1.204 1.00 0.00 C ATOM 1476 OD1 ASN A 95 10.209 8.093 -0.026 1.00 0.00 O ATOM 1477 ND2 ASN A 95 11.243 8.720 1.866 1.00 0.00 N ATOM 0 H ASN A 95 6.942 6.505 1.524 1.00 0.00 H new ATOM 0 HA ASN A 95 9.630 5.740 0.828 1.00 0.00 H new ATOM 0 HB2 ASN A 95 8.252 8.001 1.931 1.00 0.00 H new ATOM 0 HB3 ASN A 95 9.466 7.512 3.096 1.00 0.00 H new ATOM 0 HD21 ASN A 95 11.993 9.185 1.355 1.00 0.00 H new ATOM 0 HD22 ASN A 95 11.247 8.717 2.886 1.00 0.00 H new ATOM 1484 N LYS A 96 8.642 5.318 3.958 1.00 0.00 N ATOM 1485 CA LYS A 96 8.867 4.528 5.160 1.00 0.00 C ATOM 1486 C LYS A 96 8.611 3.048 4.896 1.00 0.00 C ATOM 1487 O LYS A 96 9.354 2.191 5.367 1.00 0.00 O ATOM 1488 CB LYS A 96 7.968 5.021 6.295 1.00 0.00 C ATOM 1489 CG LYS A 96 8.663 5.988 7.241 1.00 0.00 C ATOM 1490 CD LYS A 96 8.556 7.422 6.749 1.00 0.00 C ATOM 1491 CE LYS A 96 8.713 8.416 7.889 1.00 0.00 C ATOM 1492 NZ LYS A 96 9.425 9.650 7.457 1.00 0.00 N ATOM 0 H LYS A 96 7.941 6.052 4.061 1.00 0.00 H new ATOM 0 HA LYS A 96 9.910 4.649 5.454 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.092 5.509 5.868 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.610 4.163 6.864 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.220 5.909 8.234 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.713 5.713 7.338 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.322 7.607 5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.590 7.571 6.266 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.730 8.682 8.277 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.262 7.948 8.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.511 10.301 8.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.373 9.400 7.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.888 10.112 6.695 1.00 0.00 H new ATOM 1506 N ILE A 97 7.555 2.755 4.144 1.00 0.00 N ATOM 1507 CA ILE A 97 7.201 1.385 3.822 1.00 0.00 C ATOM 1508 C ILE A 97 8.321 0.679 3.074 1.00 0.00 C ATOM 1509 O ILE A 97 8.784 -0.375 3.499 1.00 0.00 O ATOM 1510 CB ILE A 97 5.907 1.355 2.997 1.00 0.00 C ATOM 1511 CG1 ILE A 97 5.342 -0.051 2.891 1.00 0.00 C ATOM 1512 CG2 ILE A 97 6.115 1.934 1.615 1.00 0.00 C ATOM 1513 CD1 ILE A 97 4.089 -0.099 2.054 1.00 0.00 C ATOM 0 H ILE A 97 6.929 3.455 3.746 1.00 0.00 H new ATOM 0 HA ILE A 97 7.042 0.851 4.759 1.00 0.00 H new ATOM 0 HB ILE A 97 5.185 1.976 3.526 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.093 -0.711 2.456 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.125 -0.430 3.890 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.178 1.896 1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 97 6.445 2.969 1.700 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.873 1.354 1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.722 -1.124 2.007 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.327 0.539 2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.311 0.254 1.047 1.00 0.00 H new ATOM 1525 N LEU A 98 8.766 1.261 1.967 1.00 0.00 N ATOM 1526 CA LEU A 98 9.845 0.659 1.198 1.00 0.00 C ATOM 1527 C LEU A 98 11.117 0.635 2.034 1.00 0.00 C ATOM 1528 O LEU A 98 11.877 -0.332 2.002 1.00 0.00 O ATOM 1529 CB LEU A 98 10.069 1.408 -0.121 1.00 0.00 C ATOM 1530 CG LEU A 98 9.625 0.654 -1.381 1.00 0.00 C ATOM 1531 CD1 LEU A 98 8.332 -0.115 -1.133 1.00 0.00 C ATOM 1532 CD2 LEU A 98 9.452 1.618 -2.544 1.00 0.00 C ATOM 0 H LEU A 98 8.403 2.135 1.587 1.00 0.00 H new ATOM 0 HA LEU A 98 9.568 -0.365 0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.535 2.357 -0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.129 1.643 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 98 10.404 -0.065 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.041 -0.640 -2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.486 -0.837 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.544 0.581 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.137 1.067 -3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.696 2.361 -2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.399 2.118 -2.746 1.00 0.00 H new ATOM 1544 N ASP A 99 11.319 1.686 2.823 1.00 0.00 N ATOM 1545 CA ASP A 99 12.474 1.762 3.706 1.00 0.00 C ATOM 1546 C ASP A 99 12.331 0.710 4.799 1.00 0.00 C ATOM 1547 O ASP A 99 13.316 0.203 5.335 1.00 0.00 O ATOM 1548 CB ASP A 99 12.591 3.156 4.324 1.00 0.00 C ATOM 1549 CG ASP A 99 14.012 3.492 4.730 1.00 0.00 C ATOM 1550 OD1 ASP A 99 14.408 3.134 5.859 1.00 0.00 O ATOM 1551 OD2 ASP A 99 14.731 4.113 3.918 1.00 0.00 O ATOM 0 H ASP A 99 10.698 2.494 2.868 1.00 0.00 H new ATOM 0 HA ASP A 99 13.380 1.573 3.130 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.235 3.898 3.609 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.942 3.219 5.198 1.00 0.00 H new ATOM 1556 N GLU A 100 11.078 0.380 5.100 1.00 0.00 N ATOM 1557 CA GLU A 100 10.752 -0.622 6.100 1.00 0.00 C ATOM 1558 C GLU A 100 11.048 -2.005 5.540 1.00 0.00 C ATOM 1559 O GLU A 100 11.844 -2.759 6.100 1.00 0.00 O ATOM 1560 CB GLU A 100 9.279 -0.502 6.489 1.00 0.00 C ATOM 1561 CG GLU A 100 8.878 -1.308 7.720 1.00 0.00 C ATOM 1562 CD GLU A 100 9.384 -2.738 7.697 1.00 0.00 C ATOM 1563 OE1 GLU A 100 9.050 -3.471 6.743 1.00 0.00 O ATOM 1564 OE2 GLU A 100 10.115 -3.124 8.633 1.00 0.00 O ATOM 0 H GLU A 100 10.263 0.802 4.655 1.00 0.00 H new ATOM 0 HA GLU A 100 11.358 -0.465 6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.049 0.548 6.668 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.667 -0.823 5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 100 9.260 -0.810 8.611 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.791 -1.317 7.801 1.00 0.00 H new ATOM 1571 N TYR A 101 10.418 -2.318 4.413 1.00 0.00 N ATOM 1572 CA TYR A 101 10.628 -3.595 3.752 1.00 0.00 C ATOM 1573 C TYR A 101 12.109 -3.789 3.454 1.00 0.00 C ATOM 1574 O TYR A 101 12.600 -4.911 3.384 1.00 0.00 O ATOM 1575 CB TYR A 101 9.822 -3.678 2.457 1.00 0.00 C ATOM 1576 CG TYR A 101 9.430 -5.091 2.108 1.00 0.00 C ATOM 1577 CD1 TYR A 101 10.311 -5.930 1.439 1.00 0.00 C ATOM 1578 CD2 TYR A 101 8.184 -5.592 2.459 1.00 0.00 C ATOM 1579 CE1 TYR A 101 9.962 -7.229 1.128 1.00 0.00 C ATOM 1580 CE2 TYR A 101 7.827 -6.890 2.154 1.00 0.00 C ATOM 1581 CZ TYR A 101 8.718 -7.705 1.487 1.00 0.00 C ATOM 1582 OH TYR A 101 8.366 -8.999 1.182 1.00 0.00 O ATOM 0 H TYR A 101 9.757 -1.702 3.940 1.00 0.00 H new ATOM 0 HA TYR A 101 10.287 -4.386 4.420 1.00 0.00 H new ATOM 0 HB2 TYR A 101 8.923 -3.069 2.553 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.408 -3.255 1.641 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.286 -5.560 1.157 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.483 -4.956 2.979 1.00 0.00 H new ATOM 0 HE1 TYR A 101 10.659 -7.869 0.607 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.855 -7.266 2.436 1.00 0.00 H new ATOM 0 HH TYR A 101 7.669 -9.303 1.800 1.00 0.00 H new ATOM 1592 N LEU A 102 12.808 -2.674 3.269 1.00 0.00 N ATOM 1593 CA LEU A 102 14.232 -2.694 2.969 1.00 0.00 C ATOM 1594 C LEU A 102 15.052 -3.146 4.178 1.00 0.00 C ATOM 1595 O LEU A 102 16.037 -3.870 4.033 1.00 0.00 O ATOM 1596 CB LEU A 102 14.689 -1.297 2.534 1.00 0.00 C ATOM 1597 CG LEU A 102 14.894 -1.112 1.031 1.00 0.00 C ATOM 1598 CD1 LEU A 102 13.623 -1.454 0.268 1.00 0.00 C ATOM 1599 CD2 LEU A 102 15.326 0.315 0.732 1.00 0.00 C ATOM 0 H LEU A 102 12.405 -1.738 3.323 1.00 0.00 H new ATOM 0 HA LEU A 102 14.395 -3.407 2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.952 -0.570 2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 102 15.625 -1.065 3.042 1.00 0.00 H new ATOM 0 HG LEU A 102 15.681 -1.792 0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 102 13.791 -1.315 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.351 -2.492 0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.815 -0.800 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 102 15.469 0.434 -0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 102 14.557 1.007 1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.262 0.528 1.248 1.00 0.00 H new ATOM 1611 N VAL A 103 14.657 -2.696 5.367 1.00 0.00 N ATOM 1612 CA VAL A 103 15.377 -3.040 6.590 1.00 0.00 C ATOM 1613 C VAL A 103 15.188 -4.500 6.979 1.00 0.00 C ATOM 1614 O VAL A 103 16.159 -5.198 7.273 1.00 0.00 O ATOM 1615 CB VAL A 103 14.950 -2.150 7.775 1.00 0.00 C ATOM 1616 CG1 VAL A 103 15.304 -2.817 9.098 1.00 0.00 C ATOM 1617 CG2 VAL A 103 15.599 -0.778 7.670 1.00 0.00 C ATOM 0 H VAL A 103 13.845 -2.095 5.509 1.00 0.00 H new ATOM 0 HA VAL A 103 16.431 -2.868 6.370 1.00 0.00 H new ATOM 0 HB VAL A 103 13.868 -2.019 7.739 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.996 -2.175 9.923 1.00 0.00 H new ATOM 0 HG12 VAL A 103 14.789 -3.775 9.172 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.381 -2.979 9.147 1.00 0.00 H new ATOM 0 HG21 VAL A 103 15.287 -0.162 8.514 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.684 -0.887 7.681 1.00 0.00 H new ATOM 0 HG23 VAL A 103 15.292 -0.300 6.740 1.00 0.00 H new ATOM 1627 N ALA A 104 13.939 -4.958 6.994 1.00 0.00 N ATOM 1628 CA ALA A 104 13.637 -6.340 7.360 1.00 0.00 C ATOM 1629 C ALA A 104 14.598 -7.320 6.688 1.00 0.00 C ATOM 1630 O ALA A 104 14.769 -8.451 7.144 1.00 0.00 O ATOM 1631 CB ALA A 104 12.199 -6.674 6.997 1.00 0.00 C ATOM 0 H ALA A 104 13.122 -4.395 6.758 1.00 0.00 H new ATOM 0 HA ALA A 104 13.765 -6.438 8.438 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.984 -7.706 7.274 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.524 -6.007 7.533 1.00 0.00 H new ATOM 0 HB3 ALA A 104 12.056 -6.549 5.924 1.00 0.00 H new ATOM 1637 N HIS A 105 15.221 -6.874 5.602 1.00 0.00 N ATOM 1638 CA HIS A 105 16.163 -7.694 4.862 1.00 0.00 C ATOM 1639 C HIS A 105 16.858 -6.862 3.783 1.00 0.00 C ATOM 1640 O HIS A 105 16.201 -6.133 3.040 1.00 0.00 O ATOM 1641 CB HIS A 105 15.452 -8.893 4.225 1.00 0.00 C ATOM 1642 CG HIS A 105 14.036 -8.623 3.804 1.00 0.00 C ATOM 1643 ND1 HIS A 105 13.219 -9.592 3.259 1.00 0.00 N ATOM 1644 CD2 HIS A 105 13.291 -7.490 3.848 1.00 0.00 C ATOM 1645 CE1 HIS A 105 12.037 -9.068 2.987 1.00 0.00 C ATOM 1646 NE2 HIS A 105 12.055 -7.795 3.336 1.00 0.00 N ATOM 0 H HIS A 105 15.086 -5.940 5.215 1.00 0.00 H new ATOM 0 HA HIS A 105 16.914 -8.066 5.559 1.00 0.00 H new ATOM 0 HB2 HIS A 105 16.022 -9.217 3.354 1.00 0.00 H new ATOM 0 HB3 HIS A 105 15.456 -9.721 4.934 1.00 0.00 H new ATOM 0 HD2 HIS A 105 13.611 -6.527 4.217 1.00 0.00 H new ATOM 0 HE1 HIS A 105 11.198 -9.592 2.553 1.00 0.00 H new ATOM 0 HE2 HIS A 105 11.276 -7.143 3.241 1.00 0.00 H new ATOM 1655 N PRO A 106 18.201 -6.953 3.693 1.00 0.00 N ATOM 1656 CA PRO A 106 19.002 -6.210 2.718 1.00 0.00 C ATOM 1657 C PRO A 106 18.284 -5.969 1.390 1.00 0.00 C ATOM 1658 O PRO A 106 17.368 -6.700 1.018 1.00 0.00 O ATOM 1659 CB PRO A 106 20.205 -7.125 2.524 1.00 0.00 C ATOM 1660 CG PRO A 106 20.399 -7.789 3.851 1.00 0.00 C ATOM 1661 CD PRO A 106 19.060 -7.786 4.555 1.00 0.00 C ATOM 0 HA PRO A 106 19.242 -5.206 3.067 1.00 0.00 H new ATOM 0 HB2 PRO A 106 20.022 -7.858 1.738 1.00 0.00 H new ATOM 0 HB3 PRO A 106 21.089 -6.559 2.232 1.00 0.00 H new ATOM 0 HG2 PRO A 106 20.763 -8.808 3.721 1.00 0.00 H new ATOM 0 HG3 PRO A 106 21.145 -7.257 4.442 1.00 0.00 H new ATOM 0 HD2 PRO A 106 18.662 -8.795 4.658 1.00 0.00 H new ATOM 0 HD3 PRO A 106 19.139 -7.370 5.560 1.00 0.00 H new ATOM 1669 N LYS A 107 18.709 -4.919 0.692 1.00 0.00 N ATOM 1670 CA LYS A 107 18.115 -4.541 -0.587 1.00 0.00 C ATOM 1671 C LYS A 107 17.931 -5.737 -1.521 1.00 0.00 C ATOM 1672 O LYS A 107 16.813 -6.065 -1.914 1.00 0.00 O ATOM 1673 CB LYS A 107 18.980 -3.480 -1.271 1.00 0.00 C ATOM 1674 CG LYS A 107 18.593 -2.056 -0.910 1.00 0.00 C ATOM 1675 CD LYS A 107 19.428 -1.041 -1.675 1.00 0.00 C ATOM 1676 CE LYS A 107 20.606 -0.555 -0.848 1.00 0.00 C ATOM 1677 NZ LYS A 107 21.858 -1.292 -1.177 1.00 0.00 N ATOM 0 H LYS A 107 19.469 -4.310 0.994 1.00 0.00 H new ATOM 0 HA LYS A 107 17.125 -4.137 -0.376 1.00 0.00 H new ATOM 0 HB2 LYS A 107 20.023 -3.644 -1.001 1.00 0.00 H new ATOM 0 HB3 LYS A 107 18.907 -3.605 -2.351 1.00 0.00 H new ATOM 0 HG2 LYS A 107 17.537 -1.898 -1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 107 18.723 -1.903 0.161 1.00 0.00 H new ATOM 0 HD2 LYS A 107 19.791 -1.490 -2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 107 18.804 -0.192 -1.956 1.00 0.00 H new ATOM 0 HE2 LYS A 107 20.756 0.511 -1.021 1.00 0.00 H new ATOM 0 HE3 LYS A 107 20.381 -0.677 0.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 22.475 -1.320 -0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 21.623 -2.263 -1.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 22.351 -0.809 -1.955 1.00 0.00 H new ATOM 1691 N GLU A 108 19.034 -6.371 -1.893 1.00 0.00 N ATOM 1692 CA GLU A 108 18.988 -7.513 -2.800 1.00 0.00 C ATOM 1693 C GLU A 108 18.350 -8.736 -2.146 1.00 0.00 C ATOM 1694 O GLU A 108 17.804 -9.598 -2.835 1.00 0.00 O ATOM 1695 CB GLU A 108 20.396 -7.859 -3.286 1.00 0.00 C ATOM 1696 CG GLU A 108 21.422 -7.945 -2.168 1.00 0.00 C ATOM 1697 CD GLU A 108 22.435 -9.052 -2.389 1.00 0.00 C ATOM 1698 OE1 GLU A 108 23.384 -8.840 -3.173 1.00 0.00 O ATOM 1699 OE2 GLU A 108 22.279 -10.130 -1.778 1.00 0.00 O ATOM 0 H GLU A 108 19.971 -6.116 -1.582 1.00 0.00 H new ATOM 0 HA GLU A 108 18.368 -7.229 -3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 108 20.365 -8.812 -3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 108 20.718 -7.107 -4.006 1.00 0.00 H new ATOM 0 HG2 GLU A 108 21.944 -6.992 -2.085 1.00 0.00 H new ATOM 0 HG3 GLU A 108 20.909 -8.111 -1.221 1.00 0.00 H new ATOM 1706 N GLU A 109 18.438 -8.823 -0.822 1.00 0.00 N ATOM 1707 CA GLU A 109 17.883 -9.963 -0.094 1.00 0.00 C ATOM 1708 C GLU A 109 16.477 -10.326 -0.571 1.00 0.00 C ATOM 1709 O GLU A 109 16.200 -11.492 -0.856 1.00 0.00 O ATOM 1710 CB GLU A 109 17.859 -9.691 1.408 1.00 0.00 C ATOM 1711 CG GLU A 109 17.348 -10.872 2.215 1.00 0.00 C ATOM 1712 CD GLU A 109 17.933 -10.923 3.613 1.00 0.00 C ATOM 1713 OE1 GLU A 109 19.167 -10.788 3.745 1.00 0.00 O ATOM 1714 OE2 GLU A 109 17.156 -11.097 4.575 1.00 0.00 O ATOM 0 H GLU A 109 18.886 -8.122 -0.232 1.00 0.00 H new ATOM 0 HA GLU A 109 18.537 -10.811 -0.299 1.00 0.00 H new ATOM 0 HB2 GLU A 109 18.865 -9.437 1.742 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.229 -8.823 1.605 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.261 -10.818 2.282 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.589 -11.797 1.691 1.00 0.00 H new ATOM 1721 N TRP A 110 15.588 -9.339 -0.662 1.00 0.00 N ATOM 1722 CA TRP A 110 14.227 -9.606 -1.113 1.00 0.00 C ATOM 1723 C TRP A 110 14.211 -9.858 -2.608 1.00 0.00 C ATOM 1724 O TRP A 110 13.658 -10.857 -3.068 1.00 0.00 O ATOM 1725 CB TRP A 110 13.255 -8.466 -0.765 1.00 0.00 C ATOM 1726 CG TRP A 110 13.896 -7.142 -0.479 1.00 0.00 C ATOM 1727 CD1 TRP A 110 14.374 -6.712 0.723 1.00 0.00 C ATOM 1728 CD2 TRP A 110 14.105 -6.066 -1.404 1.00 0.00 C ATOM 1729 NE1 TRP A 110 14.865 -5.437 0.606 1.00 0.00 N ATOM 1730 CE2 TRP A 110 14.712 -5.019 -0.689 1.00 0.00 C ATOM 1731 CE3 TRP A 110 13.840 -5.886 -2.764 1.00 0.00 C ATOM 1732 CZ2 TRP A 110 15.057 -3.811 -1.289 1.00 0.00 C ATOM 1733 CZ3 TRP A 110 14.184 -4.684 -3.357 1.00 0.00 C ATOM 1734 CH2 TRP A 110 14.785 -3.662 -2.618 1.00 0.00 C ATOM 0 H TRP A 110 15.782 -8.364 -0.434 1.00 0.00 H new ATOM 0 HA TRP A 110 13.886 -10.496 -0.584 1.00 0.00 H new ATOM 0 HB2 TRP A 110 12.556 -8.341 -1.592 1.00 0.00 H new ATOM 0 HB3 TRP A 110 12.669 -8.763 0.105 1.00 0.00 H new ATOM 0 HD1 TRP A 110 14.367 -7.291 1.635 1.00 0.00 H new ATOM 0 HE1 TRP A 110 15.277 -4.889 1.361 1.00 0.00 H new ATOM 0 HE3 TRP A 110 13.375 -6.671 -3.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 15.524 -3.019 -0.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 13.985 -4.534 -4.408 1.00 0.00 H new ATOM 0 HH2 TRP A 110 15.040 -2.734 -3.109 1.00 0.00 H new ATOM 1745 N ALA A 111 14.829 -8.947 -3.362 1.00 0.00 N ATOM 1746 CA ALA A 111 14.898 -9.061 -4.820 1.00 0.00 C ATOM 1747 C ALA A 111 13.689 -9.808 -5.366 1.00 0.00 C ATOM 1748 O ALA A 111 13.822 -10.742 -6.156 1.00 0.00 O ATOM 1749 CB ALA A 111 16.178 -9.773 -5.226 1.00 0.00 C ATOM 0 H ALA A 111 15.291 -8.119 -2.985 1.00 0.00 H new ATOM 0 HA ALA A 111 14.897 -8.056 -5.242 1.00 0.00 H new ATOM 0 HB1 ALA A 111 16.221 -9.853 -6.312 1.00 0.00 H new ATOM 0 HB2 ALA A 111 17.038 -9.206 -4.870 1.00 0.00 H new ATOM 0 HB3 ALA A 111 16.194 -10.771 -4.788 1.00 0.00 H new ATOM 1755 N ASP A 112 12.514 -9.406 -4.896 1.00 0.00 N ATOM 1756 CA ASP A 112 11.259 -10.046 -5.281 1.00 0.00 C ATOM 1757 C ASP A 112 11.073 -11.303 -4.460 1.00 0.00 C ATOM 1758 O ASP A 112 11.310 -12.415 -4.934 1.00 0.00 O ATOM 1759 CB ASP A 112 11.220 -10.401 -6.769 1.00 0.00 C ATOM 1760 CG ASP A 112 11.625 -9.249 -7.668 1.00 0.00 C ATOM 1761 OD1 ASP A 112 12.841 -8.990 -7.793 1.00 0.00 O ATOM 1762 OD2 ASP A 112 10.726 -8.610 -8.253 1.00 0.00 O ATOM 0 H ASP A 112 12.403 -8.632 -4.241 1.00 0.00 H new ATOM 0 HA ASP A 112 10.453 -9.337 -5.093 1.00 0.00 H new ATOM 0 HB2 ASP A 112 11.883 -11.247 -6.952 1.00 0.00 H new ATOM 0 HB3 ASP A 112 10.213 -10.723 -7.033 1.00 0.00 H new ATOM 1767 N VAL A 113 10.669 -11.115 -3.220 1.00 0.00 N ATOM 1768 CA VAL A 113 10.471 -12.222 -2.315 1.00 0.00 C ATOM 1769 C VAL A 113 9.282 -13.077 -2.718 1.00 0.00 C ATOM 1770 O VAL A 113 8.236 -12.561 -3.110 1.00 0.00 O ATOM 1771 CB VAL A 113 10.245 -11.737 -0.877 1.00 0.00 C ATOM 1772 CG1 VAL A 113 10.466 -12.879 0.091 1.00 0.00 C ATOM 1773 CG2 VAL A 113 11.154 -10.565 -0.551 1.00 0.00 C ATOM 0 H VAL A 113 10.471 -10.199 -2.817 1.00 0.00 H new ATOM 0 HA VAL A 113 11.381 -12.819 -2.367 1.00 0.00 H new ATOM 0 HB VAL A 113 9.216 -11.392 -0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 113 10.304 -12.528 1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 113 9.766 -13.685 -0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 113 11.487 -13.248 -0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 113 10.975 -10.240 0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 113 12.195 -10.871 -0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 113 10.946 -9.742 -1.235 1.00 0.00 H new ATOM 1783 N THR A 114 9.440 -14.385 -2.588 1.00 0.00 N ATOM 1784 CA THR A 114 8.368 -15.311 -2.905 1.00 0.00 C ATOM 1785 C THR A 114 7.688 -15.775 -1.619 1.00 0.00 C ATOM 1786 O THR A 114 6.965 -16.771 -1.607 1.00 0.00 O ATOM 1787 CB THR A 114 8.906 -16.512 -3.683 1.00 0.00 C ATOM 1788 OG1 THR A 114 10.000 -17.102 -3.003 1.00 0.00 O ATOM 1789 CG2 THR A 114 9.370 -16.162 -5.081 1.00 0.00 C ATOM 0 H THR A 114 10.300 -14.828 -2.265 1.00 0.00 H new ATOM 0 HA THR A 114 7.637 -14.799 -3.530 1.00 0.00 H new ATOM 0 HB THR A 114 8.068 -17.205 -3.759 1.00 0.00 H new ATOM 0 HG1 THR A 114 10.329 -17.870 -3.516 1.00 0.00 H new ATOM 0 HG21 THR A 114 9.739 -17.059 -5.577 1.00 0.00 H new ATOM 0 HG22 THR A 114 8.536 -15.751 -5.649 1.00 0.00 H new ATOM 0 HG23 THR A 114 10.170 -15.423 -5.025 1.00 0.00 H new ATOM 1797 N GLU A 115 7.937 -15.039 -0.536 1.00 0.00 N ATOM 1798 CA GLU A 115 7.370 -15.353 0.763 1.00 0.00 C ATOM 1799 C GLU A 115 7.487 -14.148 1.688 1.00 0.00 C ATOM 1800 O GLU A 115 8.461 -14.010 2.429 1.00 0.00 O ATOM 1801 CB GLU A 115 8.090 -16.554 1.370 1.00 0.00 C ATOM 1802 CG GLU A 115 9.583 -16.337 1.562 1.00 0.00 C ATOM 1803 CD GLU A 115 10.407 -17.529 1.116 1.00 0.00 C ATOM 1804 OE1 GLU A 115 10.002 -18.200 0.144 1.00 0.00 O ATOM 1805 OE2 GLU A 115 11.459 -17.789 1.737 1.00 0.00 O ATOM 0 H GLU A 115 8.536 -14.213 -0.540 1.00 0.00 H new ATOM 0 HA GLU A 115 6.316 -15.600 0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.639 -16.788 2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 115 7.937 -17.421 0.728 1.00 0.00 H new ATOM 0 HG2 GLU A 115 9.893 -15.455 1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.785 -16.134 2.614 1.00 0.00 H new ATOM 1812 N THR A 116 6.499 -13.265 1.621 1.00 0.00 N ATOM 1813 CA THR A 116 6.494 -12.053 2.430 1.00 0.00 C ATOM 1814 C THR A 116 6.578 -12.362 3.925 1.00 0.00 C ATOM 1815 O THR A 116 6.992 -13.448 4.331 1.00 0.00 O ATOM 1816 CB THR A 116 5.241 -11.226 2.128 1.00 0.00 C ATOM 1817 OG1 THR A 116 5.410 -9.891 2.570 1.00 0.00 O ATOM 1818 CG2 THR A 116 3.983 -11.764 2.780 1.00 0.00 C ATOM 0 H THR A 116 5.687 -13.366 1.012 1.00 0.00 H new ATOM 0 HA THR A 116 7.381 -11.477 2.167 1.00 0.00 H new ATOM 0 HB THR A 116 5.117 -11.281 1.046 1.00 0.00 H new ATOM 0 HG1 THR A 116 4.585 -9.582 3.000 1.00 0.00 H new ATOM 0 HG21 THR A 116 3.138 -11.127 2.521 1.00 0.00 H new ATOM 0 HG22 THR A 116 3.795 -12.778 2.426 1.00 0.00 H new ATOM 0 HG23 THR A 116 4.110 -11.775 3.862 1.00 0.00 H new ATOM 1826 N ASN A 117 6.181 -11.384 4.732 1.00 0.00 N ATOM 1827 CA ASN A 117 6.199 -11.502 6.182 1.00 0.00 C ATOM 1828 C ASN A 117 5.727 -10.193 6.801 1.00 0.00 C ATOM 1829 O ASN A 117 5.073 -10.182 7.844 1.00 0.00 O ATOM 1830 CB ASN A 117 7.605 -11.845 6.679 1.00 0.00 C ATOM 1831 CG ASN A 117 8.645 -10.849 6.205 1.00 0.00 C ATOM 1832 OD1 ASN A 117 8.721 -10.530 5.019 1.00 0.00 O ATOM 1833 ND2 ASN A 117 9.455 -10.353 7.133 1.00 0.00 N ATOM 0 H ASN A 117 5.837 -10.485 4.396 1.00 0.00 H new ATOM 0 HA ASN A 117 5.528 -12.308 6.480 1.00 0.00 H new ATOM 0 HB2 ASN A 117 7.605 -11.875 7.769 1.00 0.00 H new ATOM 0 HB3 ASN A 117 7.877 -12.842 6.333 1.00 0.00 H new ATOM 0 HD21 ASN A 117 10.176 -9.679 6.874 1.00 0.00 H new ATOM 0 HD22 ASN A 117 9.356 -10.646 8.105 1.00 0.00 H new ATOM 1840 N ASP A 118 6.055 -9.090 6.132 1.00 0.00 N ATOM 1841 CA ASP A 118 5.661 -7.767 6.590 1.00 0.00 C ATOM 1842 C ASP A 118 4.140 -7.656 6.652 1.00 0.00 C ATOM 1843 O ASP A 118 3.595 -6.945 7.496 1.00 0.00 O ATOM 1844 CB ASP A 118 6.228 -6.697 5.654 1.00 0.00 C ATOM 1845 CG ASP A 118 7.589 -6.197 6.101 1.00 0.00 C ATOM 1846 OD1 ASP A 118 8.064 -6.636 7.169 1.00 0.00 O ATOM 1847 OD2 ASP A 118 8.180 -5.365 5.381 1.00 0.00 O ATOM 0 H ASP A 118 6.595 -9.091 5.267 1.00 0.00 H new ATOM 0 HA ASP A 118 6.062 -7.611 7.591 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.307 -7.105 4.646 1.00 0.00 H new ATOM 0 HB3 ASP A 118 5.534 -5.858 5.604 1.00 0.00 H new ATOM 1852 N ALA A 119 3.458 -8.374 5.759 1.00 0.00 N ATOM 1853 CA ALA A 119 1.998 -8.364 5.719 1.00 0.00 C ATOM 1854 C ALA A 119 1.426 -8.545 7.117 1.00 0.00 C ATOM 1855 O ALA A 119 0.477 -7.865 7.509 1.00 0.00 O ATOM 1856 CB ALA A 119 1.486 -9.455 4.788 1.00 0.00 C ATOM 0 H ALA A 119 3.894 -8.969 5.055 1.00 0.00 H new ATOM 0 HA ALA A 119 1.669 -7.399 5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.396 -9.435 4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.870 -9.285 3.782 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.825 -10.427 5.146 1.00 0.00 H new ATOM 1862 N LEU A 120 2.027 -9.456 7.868 1.00 0.00 N ATOM 1863 CA LEU A 120 1.605 -9.722 9.232 1.00 0.00 C ATOM 1864 C LEU A 120 2.604 -9.128 10.222 1.00 0.00 C ATOM 1865 O LEU A 120 2.299 -8.974 11.405 1.00 0.00 O ATOM 1866 CB LEU A 120 1.465 -11.229 9.466 1.00 0.00 C ATOM 1867 CG LEU A 120 2.630 -12.076 8.950 1.00 0.00 C ATOM 1868 CD1 LEU A 120 3.048 -13.104 9.991 1.00 0.00 C ATOM 1869 CD2 LEU A 120 2.254 -12.761 7.644 1.00 0.00 C ATOM 0 H LEU A 120 2.812 -10.025 7.552 1.00 0.00 H new ATOM 0 HA LEU A 120 0.634 -9.253 9.389 1.00 0.00 H new ATOM 0 HB2 LEU A 120 1.353 -11.406 10.536 1.00 0.00 H new ATOM 0 HB3 LEU A 120 0.547 -11.572 8.988 1.00 0.00 H new ATOM 0 HG LEU A 120 3.477 -11.416 8.762 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.878 -13.696 9.605 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.360 -12.593 10.902 1.00 0.00 H new ATOM 0 HD13 LEU A 120 2.206 -13.760 10.213 1.00 0.00 H new ATOM 0 HD21 LEU A 120 3.094 -13.359 7.292 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.392 -13.408 7.807 1.00 0.00 H new ATOM 0 HD23 LEU A 120 2.006 -12.008 6.896 1.00 0.00 H new ATOM 1881 N LYS A 121 3.801 -8.796 9.733 1.00 0.00 N ATOM 1882 CA LYS A 121 4.834 -8.224 10.590 1.00 0.00 C ATOM 1883 C LYS A 121 5.398 -6.924 10.006 1.00 0.00 C ATOM 1884 O LYS A 121 6.559 -6.866 9.602 1.00 0.00 O ATOM 1885 CB LYS A 121 5.960 -9.241 10.807 1.00 0.00 C ATOM 1886 CG LYS A 121 6.257 -9.512 12.273 1.00 0.00 C ATOM 1887 CD LYS A 121 5.423 -10.666 12.809 1.00 0.00 C ATOM 1888 CE LYS A 121 4.618 -10.254 14.031 1.00 0.00 C ATOM 1889 NZ LYS A 121 3.489 -9.351 13.675 1.00 0.00 N ATOM 0 H LYS A 121 4.074 -8.913 8.757 1.00 0.00 H new ATOM 0 HA LYS A 121 4.376 -7.983 11.549 1.00 0.00 H new ATOM 0 HB2 LYS A 121 5.692 -10.178 10.319 1.00 0.00 H new ATOM 0 HB3 LYS A 121 6.866 -8.877 10.322 1.00 0.00 H new ATOM 0 HG2 LYS A 121 7.316 -9.740 12.394 1.00 0.00 H new ATOM 0 HG3 LYS A 121 6.056 -8.614 12.858 1.00 0.00 H new ATOM 0 HD2 LYS A 121 4.748 -11.020 12.030 1.00 0.00 H new ATOM 0 HD3 LYS A 121 6.077 -11.499 13.067 1.00 0.00 H new ATOM 0 HE2 LYS A 121 4.229 -11.144 14.526 1.00 0.00 H new ATOM 0 HE3 LYS A 121 5.272 -9.753 14.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 2.651 -9.605 14.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 3.756 -8.366 13.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 3.271 -9.451 12.663 1.00 0.00 H new ATOM 1903 N MET A 122 4.575 -5.878 9.983 1.00 0.00 N ATOM 1904 CA MET A 122 5.005 -4.579 9.466 1.00 0.00 C ATOM 1905 C MET A 122 4.152 -3.450 10.040 1.00 0.00 C ATOM 1906 O MET A 122 3.417 -2.776 9.314 1.00 0.00 O ATOM 1907 CB MET A 122 4.951 -4.549 7.936 1.00 0.00 C ATOM 1908 CG MET A 122 5.848 -3.481 7.319 1.00 0.00 C ATOM 1909 SD MET A 122 5.499 -3.193 5.572 1.00 0.00 S ATOM 1910 CE MET A 122 6.716 -1.936 5.174 1.00 0.00 C ATOM 0 H MET A 122 3.611 -5.903 10.315 1.00 0.00 H new ATOM 0 HA MET A 122 6.038 -4.429 9.780 1.00 0.00 H new ATOM 0 HB2 MET A 122 5.243 -5.526 7.550 1.00 0.00 H new ATOM 0 HB3 MET A 122 3.922 -4.376 7.619 1.00 0.00 H new ATOM 0 HG2 MET A 122 5.723 -2.548 7.868 1.00 0.00 H new ATOM 0 HG3 MET A 122 6.890 -3.780 7.432 1.00 0.00 H new ATOM 0 HE1 MET A 122 6.621 -1.657 4.124 1.00 0.00 H new ATOM 0 HE2 MET A 122 6.550 -1.058 5.799 1.00 0.00 H new ATOM 0 HE3 MET A 122 7.717 -2.328 5.357 1.00 0.00 H new ATOM 1920 N LYS A 123 4.268 -3.238 11.347 1.00 0.00 N ATOM 1921 CA LYS A 123 3.522 -2.180 12.017 1.00 0.00 C ATOM 1922 C LYS A 123 3.864 -0.818 11.416 1.00 0.00 C ATOM 1923 O LYS A 123 3.127 0.151 11.590 1.00 0.00 O ATOM 1924 CB LYS A 123 3.825 -2.185 13.519 1.00 0.00 C ATOM 1925 CG LYS A 123 2.606 -2.456 14.384 1.00 0.00 C ATOM 1926 CD LYS A 123 3.004 -2.951 15.765 1.00 0.00 C ATOM 1927 CE LYS A 123 3.486 -1.810 16.647 1.00 0.00 C ATOM 1928 NZ LYS A 123 4.755 -1.216 16.144 1.00 0.00 N ATOM 0 H LYS A 123 4.871 -3.784 11.962 1.00 0.00 H new ATOM 0 HA LYS A 123 2.458 -2.365 11.872 1.00 0.00 H new ATOM 0 HB2 LYS A 123 4.582 -2.941 13.726 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.252 -1.222 13.798 1.00 0.00 H new ATOM 0 HG2 LYS A 123 2.016 -1.545 14.479 1.00 0.00 H new ATOM 0 HG3 LYS A 123 1.972 -3.198 13.899 1.00 0.00 H new ATOM 0 HD2 LYS A 123 2.153 -3.442 16.236 1.00 0.00 H new ATOM 0 HD3 LYS A 123 3.792 -3.698 15.672 1.00 0.00 H new ATOM 0 HE2 LYS A 123 2.718 -1.038 16.694 1.00 0.00 H new ATOM 0 HE3 LYS A 123 3.634 -2.175 17.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 5.365 -0.968 16.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 5.244 -1.905 15.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 4.543 -0.359 15.594 1.00 0.00 H new ATOM 1942 N GLN A 124 4.989 -0.753 10.710 1.00 0.00 N ATOM 1943 CA GLN A 124 5.434 0.483 10.082 1.00 0.00 C ATOM 1944 C GLN A 124 4.388 1.021 9.113 1.00 0.00 C ATOM 1945 O GLN A 124 3.739 2.032 9.378 1.00 0.00 O ATOM 1946 CB GLN A 124 6.748 0.244 9.340 1.00 0.00 C ATOM 1947 CG GLN A 124 7.877 1.156 9.790 1.00 0.00 C ATOM 1948 CD GLN A 124 8.458 0.745 11.129 1.00 0.00 C ATOM 1949 OE1 GLN A 124 9.446 0.013 11.192 1.00 0.00 O ATOM 1950 NE2 GLN A 124 7.846 1.216 12.209 1.00 0.00 N ATOM 0 H GLN A 124 5.611 -1.547 10.559 1.00 0.00 H new ATOM 0 HA GLN A 124 5.584 1.225 10.867 1.00 0.00 H new ATOM 0 HB2 GLN A 124 7.052 -0.793 9.482 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.583 0.385 8.272 1.00 0.00 H new ATOM 0 HG2 GLN A 124 8.666 1.150 9.038 1.00 0.00 H new ATOM 0 HG3 GLN A 124 7.508 2.180 9.857 1.00 0.00 H new ATOM 0 HE21 GLN A 124 7.030 1.820 12.110 1.00 0.00 H new ATOM 0 HE22 GLN A 124 8.192 0.974 13.138 1.00 0.00 H new ATOM 1959 N LEU A 125 4.244 0.343 7.980 1.00 0.00 N ATOM 1960 CA LEU A 125 3.293 0.755 6.956 1.00 0.00 C ATOM 1961 C LEU A 125 1.852 0.644 7.448 1.00 0.00 C ATOM 1962 O LEU A 125 0.989 1.415 7.028 1.00 0.00 O ATOM 1963 CB LEU A 125 3.501 -0.075 5.683 1.00 0.00 C ATOM 1964 CG LEU A 125 2.529 -1.241 5.474 1.00 0.00 C ATOM 1965 CD1 LEU A 125 2.771 -1.894 4.122 1.00 0.00 C ATOM 1966 CD2 LEU A 125 2.665 -2.262 6.595 1.00 0.00 C ATOM 0 H LEU A 125 4.775 -0.496 7.748 1.00 0.00 H new ATOM 0 HA LEU A 125 3.475 1.805 6.727 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.428 0.591 4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.516 -0.472 5.694 1.00 0.00 H new ATOM 0 HG LEU A 125 1.512 -0.850 5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 125 2.073 -2.721 3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 125 2.620 -1.159 3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 125 3.793 -2.271 4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.966 -3.082 6.427 1.00 0.00 H new ATOM 0 HD22 LEU A 125 3.683 -2.651 6.611 1.00 0.00 H new ATOM 0 HD23 LEU A 125 2.443 -1.786 7.550 1.00 0.00 H new ATOM 1978 N ASP A 126 1.589 -0.313 8.333 1.00 0.00 N ATOM 1979 CA ASP A 126 0.237 -0.491 8.855 1.00 0.00 C ATOM 1980 C ASP A 126 -0.133 0.659 9.784 1.00 0.00 C ATOM 1981 O ASP A 126 -1.199 1.260 9.652 1.00 0.00 O ATOM 1982 CB ASP A 126 0.105 -1.830 9.582 1.00 0.00 C ATOM 1983 CG ASP A 126 -1.230 -1.984 10.289 1.00 0.00 C ATOM 1984 OD1 ASP A 126 -1.485 -1.225 11.248 1.00 0.00 O ATOM 1985 OD2 ASP A 126 -2.018 -2.864 9.885 1.00 0.00 O ATOM 0 H ASP A 126 2.281 -0.967 8.699 1.00 0.00 H new ATOM 0 HA ASP A 126 -0.454 -0.492 8.012 1.00 0.00 H new ATOM 0 HB2 ASP A 126 0.227 -2.642 8.865 1.00 0.00 H new ATOM 0 HB3 ASP A 126 0.910 -1.924 10.311 1.00 0.00 H new ATOM 1990 N THR A 127 0.758 0.974 10.712 1.00 0.00 N ATOM 1991 CA THR A 127 0.524 2.067 11.643 1.00 0.00 C ATOM 1992 C THR A 127 0.480 3.391 10.889 1.00 0.00 C ATOM 1993 O THR A 127 -0.192 4.335 11.305 1.00 0.00 O ATOM 1994 CB THR A 127 1.615 2.107 12.715 1.00 0.00 C ATOM 1995 OG1 THR A 127 1.651 0.889 13.437 1.00 0.00 O ATOM 1996 CG2 THR A 127 1.431 3.228 13.715 1.00 0.00 C ATOM 0 H THR A 127 1.647 0.490 10.840 1.00 0.00 H new ATOM 0 HA THR A 127 -0.435 1.904 12.135 1.00 0.00 H new ATOM 0 HB THR A 127 2.546 2.274 12.174 1.00 0.00 H new ATOM 0 HG1 THR A 127 2.386 0.333 13.104 1.00 0.00 H new ATOM 0 HG21 THR A 127 2.238 3.199 14.447 1.00 0.00 H new ATOM 0 HG22 THR A 127 1.447 4.186 13.195 1.00 0.00 H new ATOM 0 HG23 THR A 127 0.475 3.108 14.225 1.00 0.00 H new ATOM 2004 N TYR A 128 1.196 3.447 9.767 1.00 0.00 N ATOM 2005 CA TYR A 128 1.235 4.646 8.946 1.00 0.00 C ATOM 2006 C TYR A 128 -0.083 4.828 8.210 1.00 0.00 C ATOM 2007 O TYR A 128 -0.640 5.923 8.184 1.00 0.00 O ATOM 2008 CB TYR A 128 2.399 4.581 7.955 1.00 0.00 C ATOM 2009 CG TYR A 128 3.698 5.103 8.525 1.00 0.00 C ATOM 2010 CD1 TYR A 128 4.124 4.719 9.791 1.00 0.00 C ATOM 2011 CD2 TYR A 128 4.495 5.982 7.804 1.00 0.00 C ATOM 2012 CE1 TYR A 128 5.306 5.196 10.322 1.00 0.00 C ATOM 2013 CE2 TYR A 128 5.681 6.464 8.328 1.00 0.00 C ATOM 2014 CZ TYR A 128 6.081 6.068 9.587 1.00 0.00 C ATOM 2015 OH TYR A 128 7.259 6.546 10.114 1.00 0.00 O ATOM 0 H TYR A 128 1.756 2.673 9.409 1.00 0.00 H new ATOM 0 HA TYR A 128 1.388 5.506 9.598 1.00 0.00 H new ATOM 0 HB2 TYR A 128 2.539 3.548 7.636 1.00 0.00 H new ATOM 0 HB3 TYR A 128 2.143 5.157 7.066 1.00 0.00 H new ATOM 0 HD1 TYR A 128 3.520 4.036 10.369 1.00 0.00 H new ATOM 0 HD2 TYR A 128 4.184 6.294 6.818 1.00 0.00 H new ATOM 0 HE1 TYR A 128 5.622 4.888 11.308 1.00 0.00 H new ATOM 0 HE2 TYR A 128 6.290 7.147 7.754 1.00 0.00 H new ATOM 0 HH TYR A 128 7.640 5.879 10.723 1.00 0.00 H new ATOM 2025 N ILE A 129 -0.587 3.746 7.626 1.00 0.00 N ATOM 2026 CA ILE A 129 -1.849 3.800 6.909 1.00 0.00 C ATOM 2027 C ILE A 129 -2.993 4.125 7.863 1.00 0.00 C ATOM 2028 O ILE A 129 -3.958 4.791 7.488 1.00 0.00 O ATOM 2029 CB ILE A 129 -2.152 2.474 6.180 1.00 0.00 C ATOM 2030 CG1 ILE A 129 -3.483 2.588 5.436 1.00 0.00 C ATOM 2031 CG2 ILE A 129 -2.180 1.316 7.160 1.00 0.00 C ATOM 2032 CD1 ILE A 129 -4.663 2.165 6.263 1.00 0.00 C ATOM 0 H ILE A 129 -0.142 2.828 7.636 1.00 0.00 H new ATOM 0 HA ILE A 129 -1.759 4.589 6.162 1.00 0.00 H new ATOM 0 HB ILE A 129 -1.360 2.279 5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -3.624 3.620 5.114 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -3.441 1.976 4.535 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -2.395 0.391 6.625 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -1.211 1.233 7.653 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -2.954 1.491 7.908 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -5.575 2.270 5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -4.543 1.124 6.563 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -4.729 2.793 7.151 1.00 0.00 H new ATOM 2044 N SER A 130 -2.877 3.646 9.097 1.00 0.00 N ATOM 2045 CA SER A 130 -3.899 3.882 10.107 1.00 0.00 C ATOM 2046 C SER A 130 -3.972 5.362 10.465 1.00 0.00 C ATOM 2047 O SER A 130 -5.056 5.940 10.547 1.00 0.00 O ATOM 2048 CB SER A 130 -3.608 3.048 11.356 1.00 0.00 C ATOM 2049 OG SER A 130 -4.293 3.561 12.487 1.00 0.00 O ATOM 0 H SER A 130 -2.084 3.092 9.421 1.00 0.00 H new ATOM 0 HA SER A 130 -4.864 3.581 9.698 1.00 0.00 H new ATOM 0 HB2 SER A 130 -3.908 2.014 11.184 1.00 0.00 H new ATOM 0 HB3 SER A 130 -2.535 3.041 11.550 1.00 0.00 H new ATOM 0 HG SER A 130 -4.090 3.008 13.271 1.00 0.00 H new ATOM 2055 N LYS A 131 -2.810 5.971 10.670 1.00 0.00 N ATOM 2056 CA LYS A 131 -2.740 7.387 11.012 1.00 0.00 C ATOM 2057 C LYS A 131 -2.837 8.255 9.758 1.00 0.00 C ATOM 2058 O LYS A 131 -3.169 9.439 9.836 1.00 0.00 O ATOM 2059 CB LYS A 131 -1.443 7.696 11.766 1.00 0.00 C ATOM 2060 CG LYS A 131 -0.205 7.057 11.154 1.00 0.00 C ATOM 2061 CD LYS A 131 0.731 8.099 10.568 1.00 0.00 C ATOM 2062 CE LYS A 131 1.868 8.430 11.521 1.00 0.00 C ATOM 2063 NZ LYS A 131 3.200 8.281 10.871 1.00 0.00 N ATOM 0 H LYS A 131 -1.904 5.507 10.605 1.00 0.00 H new ATOM 0 HA LYS A 131 -3.586 7.618 11.659 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -1.303 8.776 11.800 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -1.544 7.355 12.796 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.322 6.481 11.915 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -0.504 6.357 10.374 1.00 0.00 H new ATOM 0 HD2 LYS A 131 1.140 7.733 9.626 1.00 0.00 H new ATOM 0 HD3 LYS A 131 0.170 9.006 10.341 1.00 0.00 H new ATOM 0 HE2 LYS A 131 1.753 9.452 11.882 1.00 0.00 H new ATOM 0 HE3 LYS A 131 1.814 7.776 12.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 3.777 7.607 11.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 3.075 7.928 9.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 3.679 9.204 10.845 1.00 0.00 H new ATOM 2077 N TYR A 132 -2.546 7.659 8.604 1.00 0.00 N ATOM 2078 CA TYR A 132 -2.603 8.372 7.332 1.00 0.00 C ATOM 2079 C TYR A 132 -4.044 8.693 6.932 1.00 0.00 C ATOM 2080 O TYR A 132 -4.282 9.488 6.025 1.00 0.00 O ATOM 2081 CB TYR A 132 -1.902 7.568 6.236 1.00 0.00 C ATOM 2082 CG TYR A 132 -0.502 8.064 5.945 1.00 0.00 C ATOM 2083 CD1 TYR A 132 0.429 8.210 6.967 1.00 0.00 C ATOM 2084 CD2 TYR A 132 -0.110 8.395 4.653 1.00 0.00 C ATOM 2085 CE1 TYR A 132 1.707 8.670 6.712 1.00 0.00 C ATOM 2086 CE2 TYR A 132 1.166 8.856 4.390 1.00 0.00 C ATOM 2087 CZ TYR A 132 2.070 8.990 5.422 1.00 0.00 C ATOM 2088 OH TYR A 132 3.340 9.449 5.163 1.00 0.00 O ATOM 0 H TYR A 132 -2.268 6.681 8.525 1.00 0.00 H new ATOM 0 HA TYR A 132 -2.079 9.320 7.457 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -1.856 6.520 6.534 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -2.495 7.614 5.323 1.00 0.00 H new ATOM 0 HD1 TYR A 132 0.148 7.959 7.979 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -0.814 8.290 3.841 1.00 0.00 H new ATOM 0 HE1 TYR A 132 2.417 8.778 7.519 1.00 0.00 H new ATOM 0 HE2 TYR A 132 1.454 9.110 3.380 1.00 0.00 H new ATOM 0 HH TYR A 132 3.966 9.064 5.812 1.00 0.00 H new ATOM 2098 N GLN A 133 -5.005 8.074 7.615 1.00 0.00 N ATOM 2099 CA GLN A 133 -6.425 8.295 7.332 1.00 0.00 C ATOM 2100 C GLN A 133 -6.786 9.787 7.270 1.00 0.00 C ATOM 2101 O GLN A 133 -7.897 10.143 6.877 1.00 0.00 O ATOM 2102 CB GLN A 133 -7.283 7.608 8.399 1.00 0.00 C ATOM 2103 CG GLN A 133 -7.747 6.214 8.009 1.00 0.00 C ATOM 2104 CD GLN A 133 -9.235 6.152 7.724 1.00 0.00 C ATOM 2105 OE1 GLN A 133 -10.027 6.862 8.342 1.00 0.00 O ATOM 2106 NE2 GLN A 133 -9.621 5.300 6.782 1.00 0.00 N ATOM 0 H GLN A 133 -4.827 7.413 8.371 1.00 0.00 H new ATOM 0 HA GLN A 133 -6.626 7.865 6.351 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -6.712 7.545 9.326 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -8.156 8.227 8.604 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -7.198 5.886 7.126 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -7.505 5.517 8.812 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -8.929 4.731 6.295 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -10.610 5.215 6.545 1.00 0.00 H new ATOM 2115 N ASP A 134 -5.855 10.658 7.660 1.00 0.00 N ATOM 2116 CA ASP A 134 -6.095 12.096 7.646 1.00 0.00 C ATOM 2117 C ASP A 134 -5.618 12.717 6.335 1.00 0.00 C ATOM 2118 O ASP A 134 -4.923 12.072 5.549 1.00 0.00 O ATOM 2119 CB ASP A 134 -5.386 12.758 8.830 1.00 0.00 C ATOM 2120 CG ASP A 134 -6.332 13.059 9.976 1.00 0.00 C ATOM 2121 OD1 ASP A 134 -7.292 13.829 9.767 1.00 0.00 O ATOM 2122 OD2 ASP A 134 -6.111 12.524 11.083 1.00 0.00 O ATOM 0 H ASP A 134 -4.928 10.390 7.989 1.00 0.00 H new ATOM 0 HA ASP A 134 -7.169 12.264 7.732 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -4.588 12.105 9.183 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -4.917 13.684 8.497 1.00 0.00 H new ATOM 2127 N PRO A 135 -5.985 13.986 6.079 1.00 0.00 N ATOM 2128 CA PRO A 135 -5.592 14.693 4.856 1.00 0.00 C ATOM 2129 C PRO A 135 -4.109 15.046 4.837 1.00 0.00 C ATOM 2130 O PRO A 135 -3.496 15.135 3.773 1.00 0.00 O ATOM 2131 CB PRO A 135 -6.439 15.963 4.894 1.00 0.00 C ATOM 2132 CG PRO A 135 -6.689 16.194 6.338 1.00 0.00 C ATOM 2133 CD PRO A 135 -6.815 14.831 6.958 1.00 0.00 C ATOM 0 HA PRO A 135 -5.750 14.083 3.967 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -5.914 16.805 4.442 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -7.372 15.836 4.344 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -5.872 16.755 6.791 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -7.598 16.777 6.489 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -6.453 14.821 7.986 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -7.851 14.493 6.981 1.00 0.00 H new ATOM 2141 N SER A 136 -3.537 15.245 6.020 1.00 0.00 N ATOM 2142 CA SER A 136 -2.128 15.588 6.138 1.00 0.00 C ATOM 2143 C SER A 136 -1.645 15.409 7.571 1.00 0.00 C ATOM 2144 O SER A 136 -1.386 16.386 8.275 1.00 0.00 O ATOM 2145 CB SER A 136 -1.885 17.027 5.690 1.00 0.00 C ATOM 2146 OG SER A 136 -2.653 17.346 4.543 1.00 0.00 O ATOM 0 H SER A 136 -4.030 15.174 6.910 1.00 0.00 H new ATOM 0 HA SER A 136 -1.566 14.915 5.491 1.00 0.00 H new ATOM 0 HB2 SER A 136 -2.138 17.710 6.501 1.00 0.00 H new ATOM 0 HB3 SER A 136 -0.826 17.168 5.472 1.00 0.00 H new ATOM 0 HG SER A 136 -2.577 16.622 3.887 1.00 0.00 H new ATOM 2152 N GLN A 137 -1.517 14.154 7.995 1.00 0.00 N ATOM 2153 CA GLN A 137 -1.051 13.841 9.350 1.00 0.00 C ATOM 2154 C GLN A 137 0.122 14.739 9.732 1.00 0.00 C ATOM 2155 O GLN A 137 0.309 15.075 10.901 1.00 0.00 O ATOM 2156 CB GLN A 137 -0.623 12.370 9.469 1.00 0.00 C ATOM 2157 CG GLN A 137 -1.328 11.429 8.505 1.00 0.00 C ATOM 2158 CD GLN A 137 -0.603 11.309 7.178 1.00 0.00 C ATOM 2159 OE1 GLN A 137 0.611 11.113 7.137 1.00 0.00 O ATOM 2160 NE2 GLN A 137 -1.345 11.433 6.084 1.00 0.00 N ATOM 0 H GLN A 137 -1.728 13.336 7.423 1.00 0.00 H new ATOM 0 HA GLN A 137 -1.884 14.018 10.030 1.00 0.00 H new ATOM 0 HB2 GLN A 137 0.452 12.303 9.302 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -0.809 12.032 10.488 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -1.411 10.442 8.961 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -2.343 11.786 8.330 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -2.349 11.595 6.164 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -0.911 11.366 5.163 1.00 0.00 H new ATOM 2169 N ALA A 138 0.905 15.128 8.723 1.00 0.00 N ATOM 2170 CA ALA A 138 2.064 15.996 8.917 1.00 0.00 C ATOM 2171 C ALA A 138 3.281 15.195 9.366 1.00 0.00 C ATOM 2172 O ALA A 138 4.047 15.637 10.223 1.00 0.00 O ATOM 2173 CB ALA A 138 1.756 17.103 9.918 1.00 0.00 C ATOM 0 H ALA A 138 0.753 14.850 7.753 1.00 0.00 H new ATOM 0 HA ALA A 138 2.295 16.457 7.957 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.635 17.735 10.044 1.00 0.00 H new ATOM 0 HB2 ALA A 138 0.926 17.706 9.550 1.00 0.00 H new ATOM 0 HB3 ALA A 138 1.486 16.661 10.877 1.00 0.00 H new ATOM 2179 N ASP A 139 3.457 14.015 8.779 1.00 0.00 N ATOM 2180 CA ASP A 139 4.583 13.152 9.117 1.00 0.00 C ATOM 2181 C ASP A 139 4.550 12.765 10.592 1.00 0.00 C ATOM 2182 O ASP A 139 5.585 12.721 11.256 1.00 0.00 O ATOM 2183 CB ASP A 139 5.904 13.852 8.789 1.00 0.00 C ATOM 2184 CG ASP A 139 6.905 12.921 8.133 1.00 0.00 C ATOM 2185 OD1 ASP A 139 6.741 11.689 8.258 1.00 0.00 O ATOM 2186 OD2 ASP A 139 7.853 13.424 7.493 1.00 0.00 O ATOM 0 H ASP A 139 2.834 13.635 8.067 1.00 0.00 H new ATOM 0 HA ASP A 139 4.504 12.243 8.521 1.00 0.00 H new ATOM 0 HB2 ASP A 139 5.710 14.696 8.128 1.00 0.00 H new ATOM 0 HB3 ASP A 139 6.335 14.257 9.705 1.00 0.00 H new ATOM 2191 N ALA A 140 3.353 12.482 11.098 1.00 0.00 N ATOM 2192 CA ALA A 140 3.186 12.096 12.493 1.00 0.00 C ATOM 2193 C ALA A 140 3.783 10.718 12.758 1.00 0.00 C ATOM 2194 O ALA A 140 4.563 10.238 11.909 1.00 0.00 O ATOM 2195 CB ALA A 140 1.714 12.119 12.874 1.00 0.00 C ATOM 2196 OXT ALA A 140 3.466 10.130 13.813 1.00 0.00 O ATOM 0 H ALA A 140 2.486 12.513 10.562 1.00 0.00 H new ATOM 0 HA ALA A 140 3.721 12.818 13.110 1.00 0.00 H new ATOM 0 HB1 ALA A 140 1.604 11.829 13.919 1.00 0.00 H new ATOM 0 HB2 ALA A 140 1.317 13.124 12.733 1.00 0.00 H new ATOM 0 HB3 ALA A 140 1.164 11.420 12.243 1.00 0.00 H new TER 2202 ALA A 140