USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1086 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 83 THR OG1 : rot -56:sc= 0.0195 USER MOD Set 1.2: A 133 SER OG : rot 180:sc= 0.475 USER MOD Set 2.1: A 94 GLN :FLIP amide:sc= 0.39 F(o=0.97,f=1.6) USER MOD Set 2.2: A 96 HIS : no HD1:sc= 1.25 K(o=1.6,f=-4.4!) USER MOD Set 3.1: A 81 THR OG1 : rot 160:sc= -0.184 USER MOD Set 3.2: A 135 HIS : no HE2:sc= 0.458 K(o=0.27,f=-3.6!) USER MOD Set 4.1: A 75 MET CE :methyl -143:sc= -0.0608 (180deg=0) USER MOD Set 4.2: A 80 HIS : no HD1:sc= 0.925 K(o=0.86,f=-3.5!) USER MOD Set 5.1: A 1 HIS : no HD1:sc= -0.19 X(o=-0.24,f=-0.069) USER MOD Set 5.2: A 34 SER OG : rot 180:sc= -0.0509 USER MOD Set 6.1: A 33 GLN :FLIP amide:sc= -1.34 F(o=-1.6,f=-1) USER MOD Set 6.2: A 163 GLN :FLIP amide:sc= 0.306 F(o=-1.6,f=-1) USER MOD Set 7.1: A 1 HIS N :NH3+ -109:sc= 0.0482 (180deg=-0.562) USER MOD Set 7.2: A 90 HIS : no HE2:sc= 0 K(o=0.048,f=-0.47) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.3 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -138:sc= 0.248 (180deg=-0.184) USER MOD Single : A 39 LYS NZ :NH3+ 178:sc= 0.194 (180deg=0.193) USER MOD Single : A 64 GLN : amide:sc= -0.0475 K(o=-0.048,f=-0.82) USER MOD Single : A 65 GLN : amide:sc= 0.0767 X(o=0.077,f=-0.088) USER MOD Single : A 66 SER OG : rot 180:sc= 0.164 USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 72 LYS NZ :NH3+ 146:sc= 0.139 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.38) USER MOD Single : A 76 THR OG1 : rot 84:sc= 0.374 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 74:sc= 0.373 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.139 K(o=-0.14,f=-3.9!) USER MOD Single : A 92 THR OG1 : rot -72:sc= 0.555 USER MOD Single : A 93 SER OG : rot 180:sc= 0.00446 USER MOD Single : A 97 TYR OH : rot 50:sc= 0.938 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 120:sc= 0.372 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ -159:sc= 0.0239 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0.00782 USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 134 HIS : no HD1:sc= -0.0612 X(o=-0.061,f=-0.015) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 146 HIS : no HD1:sc= -0.42 X(o=-0.42,f=-0.095) USER MOD Single : A 157 THR OG1 : rot 76:sc= 0.419 USER MOD Single : A 159 ASN : amide:sc= 0.215 K(o=0.21,f=-1) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 ASN : amide:sc= -0.0323 K(o=-0.032,f=-1.5) USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -0.033 1.296 -1.368 1.00 25.00 N ATOM 2 CA HIS A 1 1.072 2.120 -2.001 1.00 25.00 C ATOM 3 C HIS A 1 1.179 1.902 -3.503 1.00 25.00 C ATOM 4 O HIS A 1 0.686 0.880 -4.016 1.00 25.00 O ATOM 5 CB HIS A 1 2.474 1.792 -1.400 1.00 0.00 C ATOM 6 CG HIS A 1 2.676 2.322 -0.021 1.00 0.00 C ATOM 7 ND1 HIS A 1 2.216 1.617 1.038 1.00 0.00 N ATOM 8 CD2 HIS A 1 3.207 3.453 0.443 1.00 0.00 C ATOM 9 CE1 HIS A 1 2.706 2.290 2.133 1.00 0.00 C ATOM 10 NE2 HIS A 1 3.327 3.463 1.788 1.00 0.00 N ATOM 0 H1 HIS A 1 -0.812 1.922 -1.081 1.00 25.00 H new ATOM 0 H2 HIS A 1 -0.384 0.600 -2.056 1.00 25.00 H new ATOM 0 H3 HIS A 1 0.339 0.800 -0.533 1.00 25.00 H new ATOM 0 HA HIS A 1 0.795 3.153 -1.788 1.00 25.00 H new ATOM 0 HB2 HIS A 1 2.610 0.711 -1.387 1.00 0.00 H new ATOM 0 HB3 HIS A 1 3.244 2.202 -2.053 1.00 0.00 H new ATOM 0 HD2 HIS A 1 3.509 4.274 -0.190 1.00 0.00 H new ATOM 0 HE1 HIS A 1 2.612 1.935 3.149 1.00 0.00 H new ATOM 0 HE2 HIS A 1 3.765 4.160 2.390 1.00 0.00 H new ATOM 17 N GLY A 2 1.649 2.929 -4.203 1.00 25.00 N ATOM 18 CA GLY A 2 1.461 3.012 -5.630 1.00 25.00 C ATOM 19 C GLY A 2 2.488 3.765 -6.460 1.00 25.00 C ATOM 20 O GLY A 2 3.649 3.744 -5.990 1.00 25.00 O ATOM 0 H GLY A 2 2.162 3.711 -3.797 1.00 25.00 H new ATOM 0 HA2 GLY A 2 1.407 1.994 -6.016 1.00 25.00 H new ATOM 0 HA3 GLY A 2 0.490 3.473 -5.809 1.00 25.00 H new ATOM 24 N PHE A 3 2.161 4.433 -7.547 1.00 25.00 N ATOM 25 CA PHE A 3 3.129 5.375 -8.179 1.00 25.00 C ATOM 26 C PHE A 3 2.300 6.423 -8.858 1.00 25.00 C ATOM 27 O PHE A 3 1.073 6.432 -8.825 1.00 25.00 O ATOM 28 CB PHE A 3 4.027 4.621 -9.167 1.00 25.00 C ATOM 29 CG PHE A 3 3.330 3.964 -10.335 1.00 25.00 C ATOM 30 CD1 PHE A 3 3.077 4.645 -11.568 1.00 50.00 C ATOM 31 CD2 PHE A 3 2.978 2.567 -10.247 1.00 50.00 C ATOM 32 CE1 PHE A 3 2.430 4.025 -12.639 1.00 25.00 C ATOM 33 CE2 PHE A 3 2.363 1.942 -11.300 1.00 25.00 C ATOM 34 CZ PHE A 3 2.092 2.686 -12.517 1.00 25.00 C ATOM 0 H PHE A 3 1.260 4.361 -8.020 1.00 25.00 H new ATOM 0 HA PHE A 3 3.796 5.834 -7.450 1.00 25.00 H new ATOM 0 HB2 PHE A 3 4.767 5.319 -9.558 1.00 25.00 H new ATOM 0 HB3 PHE A 3 4.572 3.853 -8.617 1.00 25.00 H new ATOM 0 HD1 PHE A 3 3.397 5.671 -11.674 1.00 50.00 H new ATOM 0 HD2 PHE A 3 3.200 2.012 -9.348 1.00 50.00 H new ATOM 0 HE1 PHE A 3 2.199 4.575 -13.539 1.00 25.00 H new ATOM 0 HE2 PHE A 3 2.081 0.902 -11.225 1.00 25.00 H new ATOM 0 HZ PHE A 3 1.616 2.185 -13.347 1.00 25.00 H new ATOM 44 N ILE A 4 2.983 7.490 -9.290 1.00 25.00 N ATOM 45 CA ILE A 4 2.333 8.619 -9.976 1.00 25.00 C ATOM 46 C ILE A 4 2.414 8.243 -11.475 1.00 25.00 C ATOM 47 O ILE A 4 3.502 8.031 -12.051 1.00 25.00 O ATOM 48 CB ILE A 4 3.026 9.878 -9.588 1.00 25.00 C ATOM 49 CG1 ILE A 4 2.910 10.110 -8.071 1.00 25.00 C ATOM 50 CG2 ILE A 4 2.391 11.101 -10.330 1.00 25.00 C ATOM 51 CD1 ILE A 4 4.150 9.934 -7.194 1.00 25.00 C ATOM 0 H ILE A 4 3.991 7.597 -9.177 1.00 25.00 H new ATOM 0 HA ILE A 4 1.290 8.797 -9.713 1.00 25.00 H new ATOM 0 HB ILE A 4 4.076 9.782 -9.866 1.00 25.00 H new ATOM 0 HG12 ILE A 4 2.543 11.125 -7.921 1.00 25.00 H new ATOM 0 HG13 ILE A 4 2.142 9.435 -7.693 1.00 25.00 H new ATOM 0 HG21 ILE A 4 2.909 12.014 -10.036 1.00 25.00 H new ATOM 0 HG22 ILE A 4 2.485 10.962 -11.407 1.00 25.00 H new ATOM 0 HG23 ILE A 4 1.337 11.180 -10.065 1.00 25.00 H new ATOM 0 HD11 ILE A 4 3.892 10.135 -6.154 1.00 25.00 H new ATOM 0 HD12 ILE A 4 4.518 8.912 -7.285 1.00 25.00 H new ATOM 0 HD13 ILE A 4 4.925 10.629 -7.516 1.00 25.00 H new ATOM 63 N GLU A 5 1.259 8.164 -12.112 1.00 25.00 N ATOM 64 CA GLU A 5 1.219 7.671 -13.467 1.00 25.00 C ATOM 65 C GLU A 5 1.556 8.809 -14.409 1.00 25.00 C ATOM 66 O GLU A 5 2.275 8.561 -15.416 1.00 25.00 O ATOM 67 CB GLU A 5 -0.164 7.191 -13.818 1.00 25.00 C ATOM 68 CG GLU A 5 -0.185 6.451 -15.183 1.00 25.00 C ATOM 69 CD GLU A 5 -1.609 6.008 -15.535 1.00 25.00 C ATOM 70 OE1 GLU A 5 -2.075 6.422 -16.641 1.00 25.00 O ATOM 71 OE2 GLU A 5 -2.245 5.331 -14.725 1.00 25.00 O1- ATOM 0 H GLU A 5 0.356 8.430 -11.719 1.00 25.00 H new ATOM 0 HA GLU A 5 1.929 6.849 -13.557 1.00 25.00 H new ATOM 0 HB2 GLU A 5 -0.527 6.524 -13.036 1.00 25.00 H new ATOM 0 HB3 GLU A 5 -0.846 8.040 -13.854 1.00 25.00 H new ATOM 0 HG2 GLU A 5 0.201 7.106 -15.964 1.00 25.00 H new ATOM 0 HG3 GLU A 5 0.472 5.582 -15.142 1.00 25.00 H new ATOM 78 N LYS A 6 1.116 9.986 -14.084 1.00 25.00 N ATOM 79 CA LYS A 6 1.271 11.158 -14.911 1.00 25.00 C ATOM 80 C LYS A 6 1.065 12.393 -13.969 1.00 25.00 C ATOM 81 O LYS A 6 0.524 12.112 -12.896 1.00 25.00 O ATOM 82 CB LYS A 6 0.325 11.052 -16.157 1.00 25.00 C ATOM 83 CG LYS A 6 -1.123 11.428 -15.972 1.00 25.00 C ATOM 84 CD LYS A 6 -1.949 11.088 -17.227 1.00 25.00 C ATOM 85 CE LYS A 6 -3.409 11.499 -17.071 1.00 25.00 C ATOM 86 NZ LYS A 6 -4.246 10.980 -18.159 1.00 25.00 N1+ ATOM 0 H LYS A 6 0.623 10.170 -13.210 1.00 25.00 H new ATOM 0 HA LYS A 6 2.260 11.266 -15.357 1.00 25.00 H new ATOM 0 HB2 LYS A 6 0.737 11.682 -16.945 1.00 25.00 H new ATOM 0 HB3 LYS A 6 0.361 10.024 -16.519 1.00 25.00 H new ATOM 0 HG2 LYS A 6 -1.532 10.901 -15.110 1.00 25.00 H new ATOM 0 HG3 LYS A 6 -1.201 12.494 -15.760 1.00 25.00 H new ATOM 0 HD2 LYS A 6 -1.520 11.592 -18.093 1.00 25.00 H new ATOM 0 HD3 LYS A 6 -1.891 10.017 -17.421 1.00 25.00 H new ATOM 0 HE2 LYS A 6 -3.788 11.134 -16.116 1.00 25.00 H new ATOM 0 HE3 LYS A 6 -3.479 12.586 -17.047 1.00 25.00 H new ATOM 0 HZ1 LYS A 6 -5.230 11.283 -18.014 1.00 25.00 H new ATOM 0 HZ2 LYS A 6 -3.901 11.348 -19.068 1.00 25.00 H new ATOM 0 HZ3 LYS A 6 -4.201 9.941 -18.167 1.00 25.00 H new ATOM 100 N PRO A 7 1.523 13.625 -14.304 1.00 25.00 N ATOM 101 CA PRO A 7 2.213 14.030 -15.535 1.00 25.00 C ATOM 102 C PRO A 7 3.672 13.567 -15.411 1.00 25.00 C ATOM 103 O PRO A 7 4.306 13.603 -14.386 1.00 25.00 O ATOM 104 CB PRO A 7 2.160 15.568 -15.560 1.00 25.00 C ATOM 105 CG PRO A 7 1.993 15.888 -14.157 1.00 25.00 C ATOM 106 CD PRO A 7 1.220 14.787 -13.462 1.00 25.00 C ATOM 0 HA PRO A 7 1.768 13.609 -16.437 1.00 25.00 H new ATOM 0 HB2 PRO A 7 3.072 16.001 -15.971 1.00 25.00 H new ATOM 0 HB3 PRO A 7 1.331 15.938 -16.164 1.00 25.00 H new ATOM 0 HG2 PRO A 7 2.968 16.012 -13.686 1.00 25.00 H new ATOM 0 HG3 PRO A 7 1.465 16.836 -14.052 1.00 25.00 H new ATOM 0 HD2 PRO A 7 1.550 14.643 -12.433 1.00 25.00 H new ATOM 0 HD3 PRO A 7 0.151 14.998 -13.427 1.00 25.00 H new ATOM 114 N GLY A 8 4.171 13.038 -16.491 1.00 25.00 N ATOM 115 CA GLY A 8 5.599 12.742 -16.581 1.00 25.00 C ATOM 116 C GLY A 8 5.883 11.428 -16.026 1.00 25.00 C ATOM 117 O GLY A 8 4.949 10.675 -15.773 1.00 25.00 O ATOM 0 H GLY A 8 3.629 12.799 -17.322 1.00 25.00 H new ATOM 0 HA2 GLY A 8 5.919 12.780 -17.622 1.00 25.00 H new ATOM 0 HA3 GLY A 8 6.168 13.501 -16.044 1.00 25.00 H new ATOM 121 N SER A 9 7.149 11.038 -15.868 1.00 25.00 N ATOM 122 CA SER A 9 7.554 9.765 -15.311 1.00 25.00 C ATOM 123 C SER A 9 8.845 10.008 -14.535 1.00 25.00 C ATOM 124 O SER A 9 9.568 10.989 -14.789 1.00 25.00 O ATOM 125 CB SER A 9 7.905 8.789 -16.476 1.00 25.00 C ATOM 126 OG SER A 9 8.974 9.353 -17.214 1.00 25.00 O ATOM 0 H SER A 9 7.939 11.625 -16.136 1.00 25.00 H new ATOM 0 HA SER A 9 6.762 9.351 -14.687 1.00 25.00 H new ATOM 0 HB2 SER A 9 8.187 7.812 -16.083 1.00 25.00 H new ATOM 0 HB3 SER A 9 7.038 8.635 -17.118 1.00 25.00 H new ATOM 0 HG SER A 9 9.213 8.755 -17.952 1.00 25.00 H new ATOM 132 N ARG A 10 9.171 9.131 -13.595 1.00 25.00 N ATOM 133 CA ARG A 10 10.505 9.219 -12.975 1.00 25.00 C ATOM 134 C ARG A 10 11.545 8.547 -13.817 1.00 25.00 C ATOM 135 O ARG A 10 12.699 8.931 -13.731 1.00 25.00 O ATOM 136 CB ARG A 10 10.457 8.595 -11.568 1.00 25.00 C ATOM 137 CG ARG A 10 11.727 8.971 -10.743 1.00 25.00 C ATOM 138 CD ARG A 10 11.757 8.127 -9.443 1.00 25.00 C ATOM 139 NE ARG A 10 12.841 8.489 -8.564 1.00 25.00 N ATOM 140 CZ ARG A 10 14.142 8.195 -8.678 1.00 25.00 C ATOM 141 NH1 ARG A 10 15.019 8.651 -7.817 1.00 25.00 N1+ ATOM 142 NH2 ARG A 10 14.580 7.556 -9.735 1.00 25.00 N ATOM 0 H ARG A 10 8.570 8.382 -13.251 1.00 25.00 H new ATOM 0 HA ARG A 10 10.783 10.270 -12.895 1.00 25.00 H new ATOM 0 HB2 ARG A 10 9.565 8.939 -11.045 1.00 25.00 H new ATOM 0 HB3 ARG A 10 10.381 7.511 -11.650 1.00 25.00 H new ATOM 0 HG2 ARG A 10 12.626 8.787 -11.332 1.00 25.00 H new ATOM 0 HG3 ARG A 10 11.717 10.034 -10.501 1.00 25.00 H new ATOM 0 HD2 ARG A 10 10.811 8.249 -8.915 1.00 25.00 H new ATOM 0 HD3 ARG A 10 11.843 7.072 -9.703 1.00 25.00 H new ATOM 0 HE ARG A 10 12.582 9.042 -7.747 1.00 25.00 H new ATOM 0 HH11 ARG A 10 14.714 9.241 -7.043 1.00 25.00 H new ATOM 0 HH12 ARG A 10 16.006 8.416 -7.921 1.00 25.00 H new ATOM 0 HH21 ARG A 10 13.929 7.282 -10.471 1.00 25.00 H new ATOM 0 HH22 ARG A 10 15.571 7.332 -9.821 1.00 25.00 H new ATOM 156 N ALA A 11 11.178 7.603 -14.649 1.00 25.00 N ATOM 157 CA ALA A 11 12.084 6.948 -15.607 1.00 25.00 C ATOM 158 C ALA A 11 12.723 7.963 -16.568 1.00 25.00 C ATOM 159 O ALA A 11 13.916 7.856 -16.817 1.00 25.00 O ATOM 160 CB ALA A 11 11.325 5.940 -16.409 1.00 25.00 C ATOM 0 H ALA A 11 10.222 7.249 -14.693 1.00 25.00 H new ATOM 0 HA ALA A 11 12.876 6.465 -15.035 1.00 25.00 H new ATOM 0 HB1 ALA A 11 11.998 5.457 -17.117 1.00 25.00 H new ATOM 0 HB2 ALA A 11 10.900 5.190 -15.742 1.00 25.00 H new ATOM 0 HB3 ALA A 11 10.522 6.438 -16.953 1.00 25.00 H new ATOM 166 N ALA A 12 12.004 8.948 -17.025 1.00 25.00 N ATOM 167 CA ALA A 12 12.576 9.990 -17.868 1.00 25.00 C ATOM 168 C ALA A 12 13.726 10.755 -17.199 1.00 25.00 C ATOM 169 O ALA A 12 14.633 11.211 -17.894 1.00 25.00 O ATOM 170 CB ALA A 12 11.526 11.047 -18.351 1.00 25.00 C ATOM 0 H ALA A 12 11.009 9.063 -16.832 1.00 25.00 H new ATOM 0 HA ALA A 12 12.957 9.434 -18.725 1.00 25.00 H new ATOM 0 HB1 ALA A 12 12.020 11.793 -18.974 1.00 25.00 H new ATOM 0 HB2 ALA A 12 10.748 10.549 -18.930 1.00 25.00 H new ATOM 0 HB3 ALA A 12 11.078 11.536 -17.486 1.00 25.00 H new ATOM 176 N LEU A 13 13.671 10.902 -15.910 1.00 25.00 N ATOM 177 CA LEU A 13 14.698 11.539 -15.120 1.00 25.00 C ATOM 178 C LEU A 13 15.841 10.573 -14.692 1.00 25.00 C ATOM 179 O LEU A 13 16.939 10.982 -14.472 1.00 25.00 O ATOM 180 CB LEU A 13 14.133 12.113 -13.777 1.00 25.00 C ATOM 181 CG LEU A 13 12.943 13.091 -13.932 1.00 25.00 C ATOM 182 CD1 LEU A 13 12.298 13.260 -12.563 1.00 75.00 C ATOM 183 CD2 LEU A 13 13.338 14.405 -14.547 1.00 75.00 C ATOM 0 H LEU A 13 12.883 10.572 -15.353 1.00 25.00 H new ATOM 0 HA LEU A 13 15.078 12.321 -15.778 1.00 25.00 H new ATOM 0 HB2 LEU A 13 13.820 11.281 -13.147 1.00 25.00 H new ATOM 0 HB3 LEU A 13 14.939 12.625 -13.251 1.00 25.00 H new ATOM 0 HG LEU A 13 12.221 12.672 -14.633 1.00 25.00 H new ATOM 0 HD11 LEU A 13 11.454 13.946 -12.641 1.00 75.00 H new ATOM 0 HD12 LEU A 13 11.948 12.292 -12.204 1.00 75.00 H new ATOM 0 HD13 LEU A 13 13.030 13.663 -11.863 1.00 75.00 H new ATOM 0 HD21 LEU A 13 12.461 15.047 -14.629 1.00 75.00 H new ATOM 0 HD22 LEU A 13 14.085 14.890 -13.919 1.00 75.00 H new ATOM 0 HD23 LEU A 13 13.755 14.232 -15.539 1.00 75.00 H new ATOM 398 N MET A 29 14.818 4.893 -6.261 1.00 25.00 N ATOM 399 CA MET A 29 13.762 4.514 -7.251 1.00 25.00 C ATOM 400 C MET A 29 12.823 3.276 -7.046 1.00 25.00 C ATOM 401 O MET A 29 11.829 3.214 -7.729 1.00 25.00 O ATOM 402 CB MET A 29 14.436 4.315 -8.625 1.00 25.00 C ATOM 403 CG MET A 29 15.237 3.064 -8.797 1.00 25.00 C ATOM 404 SD MET A 29 16.062 2.904 -10.402 1.00 25.00 S ATOM 405 CE MET A 29 16.677 1.250 -10.208 1.00 25.00 C ATOM 0 HA MET A 29 13.077 5.353 -7.128 1.00 25.00 H new ATOM 0 HB2 MET A 29 13.661 4.333 -9.392 1.00 25.00 H new ATOM 0 HB3 MET A 29 15.089 5.167 -8.812 1.00 25.00 H new ATOM 0 HG2 MET A 29 15.991 3.021 -8.011 1.00 25.00 H new ATOM 0 HG3 MET A 29 14.580 2.206 -8.655 1.00 25.00 H new ATOM 0 HE1 MET A 29 17.224 0.958 -11.104 1.00 25.00 H new ATOM 0 HE2 MET A 29 17.343 1.208 -9.346 1.00 25.00 H new ATOM 0 HE3 MET A 29 15.842 0.567 -10.054 1.00 25.00 H new ATOM 415 N TYR A 30 13.170 2.349 -6.154 1.00 25.00 N ATOM 416 CA TYR A 30 12.367 1.164 -5.920 1.00 25.00 C ATOM 417 C TYR A 30 10.931 1.454 -5.341 1.00 25.00 C ATOM 418 O TYR A 30 9.945 0.953 -5.870 1.00 25.00 O ATOM 419 CB TYR A 30 13.072 0.281 -4.899 1.00 25.00 C ATOM 420 CG TYR A 30 12.362 -1.076 -4.744 1.00 25.00 C ATOM 421 CD1 TYR A 30 12.393 -2.058 -5.766 1.00 50.00 C ATOM 422 CD2 TYR A 30 11.504 -1.352 -3.674 1.00 50.00 C ATOM 423 CE1 TYR A 30 11.583 -3.265 -5.690 1.00 25.00 C ATOM 424 CE2 TYR A 30 10.620 -2.494 -3.625 1.00 25.00 C ATOM 425 CZ TYR A 30 10.738 -3.487 -4.583 1.00 25.00 C ATOM 426 OH TYR A 30 9.996 -4.604 -4.532 1.00 25.00 O ATOM 0 H TYR A 30 14.011 2.403 -5.580 1.00 25.00 H new ATOM 0 HA TYR A 30 12.250 0.695 -6.897 1.00 25.00 H new ATOM 0 HB2 TYR A 30 14.105 0.120 -5.207 1.00 25.00 H new ATOM 0 HB3 TYR A 30 13.102 0.790 -3.935 1.00 25.00 H new ATOM 0 HD1 TYR A 30 13.034 -1.907 -6.622 1.00 50.00 H new ATOM 0 HD2 TYR A 30 11.502 -0.672 -2.835 1.00 50.00 H new ATOM 0 HE1 TYR A 30 11.629 -3.994 -6.485 1.00 25.00 H new ATOM 0 HE2 TYR A 30 9.874 -2.572 -2.848 1.00 25.00 H new ATOM 0 HH TYR A 30 9.469 -4.609 -3.706 1.00 25.00 H new ATOM 436 N GLU A 31 10.786 2.366 -4.407 1.00 25.00 N ATOM 437 CA GLU A 31 9.523 2.751 -3.854 1.00 25.00 C ATOM 438 C GLU A 31 9.586 4.209 -3.311 1.00 25.00 C ATOM 439 O GLU A 31 9.273 4.486 -2.107 1.00 25.00 O ATOM 440 CB GLU A 31 8.988 1.743 -2.790 1.00 25.00 C ATOM 441 CG GLU A 31 9.841 1.410 -1.603 1.00 25.00 C ATOM 442 CD GLU A 31 9.195 0.289 -0.829 1.00 25.00 C ATOM 443 OE1 GLU A 31 8.058 0.420 -0.397 1.00 25.00 O ATOM 444 OE2 GLU A 31 9.853 -0.790 -0.692 1.00 25.00 O1- ATOM 0 H GLU A 31 11.574 2.872 -4.003 1.00 25.00 H new ATOM 0 HA GLU A 31 8.794 2.724 -4.664 1.00 25.00 H new ATOM 0 HB2 GLU A 31 8.042 2.134 -2.415 1.00 25.00 H new ATOM 0 HB3 GLU A 31 8.765 0.809 -3.306 1.00 25.00 H new ATOM 0 HG2 GLU A 31 10.839 1.116 -1.928 1.00 25.00 H new ATOM 0 HG3 GLU A 31 9.959 2.287 -0.967 1.00 25.00 H new ATOM 451 N PRO A 32 9.997 5.193 -4.095 1.00 25.00 N ATOM 452 CA PRO A 32 10.356 6.468 -3.447 1.00 25.00 C ATOM 453 C PRO A 32 9.177 7.179 -2.797 1.00 25.00 C ATOM 454 O PRO A 32 9.331 7.850 -1.765 1.00 25.00 O ATOM 455 CB PRO A 32 10.958 7.249 -4.598 1.00 25.00 C ATOM 456 CG PRO A 32 10.279 6.768 -5.797 1.00 25.00 C ATOM 457 CD PRO A 32 10.215 5.267 -5.572 1.00 25.00 C ATOM 0 HA PRO A 32 11.034 6.339 -2.603 1.00 25.00 H new ATOM 0 HB2 PRO A 32 10.808 8.320 -4.466 1.00 25.00 H new ATOM 0 HB3 PRO A 32 12.033 7.084 -4.664 1.00 25.00 H new ATOM 0 HG2 PRO A 32 9.285 7.204 -5.901 1.00 25.00 H new ATOM 0 HG3 PRO A 32 10.832 7.018 -6.702 1.00 25.00 H new ATOM 0 HD2 PRO A 32 9.401 4.803 -6.130 1.00 25.00 H new ATOM 0 HD3 PRO A 32 11.135 4.768 -5.876 1.00 25.00 H new ATOM 465 N GLN A 33 8.021 7.009 -3.423 1.00 25.00 N ATOM 466 CA GLN A 33 6.763 7.544 -2.929 1.00 25.00 C ATOM 467 C GLN A 33 6.205 6.948 -1.612 1.00 25.00 C ATOM 468 O GLN A 33 5.253 7.417 -1.089 1.00 25.00 O ATOM 469 CB GLN A 33 5.641 7.434 -3.965 1.00 25.00 C ATOM 470 CG GLN A 33 5.318 6.001 -4.438 1.00 25.00 C ATOM 471 CD GLN A 33 4.541 5.106 -3.397 1.00 25.00 C ATOM 472 OE1 GLN A 33 5.071 3.932 -3.095 1.00 25.00 O flip ATOM 473 NE2 GLN A 33 3.412 5.456 -2.979 1.00 25.00 N flip ATOM 0 H GLN A 33 7.931 6.490 -4.297 1.00 25.00 H new ATOM 0 HA GLN A 33 7.048 8.575 -2.721 1.00 25.00 H new ATOM 0 HB2 GLN A 33 4.736 7.873 -3.544 1.00 25.00 H new ATOM 0 HB3 GLN A 33 5.911 8.034 -4.834 1.00 25.00 H new ATOM 0 HG2 GLN A 33 4.727 6.062 -5.352 1.00 25.00 H new ATOM 0 HG3 GLN A 33 6.252 5.502 -4.695 1.00 25.00 H new ATOM 0 HE21 GLN A 33 3.035 6.369 -3.232 1.00 25.00 H new ATOM 0 HE22 GLN A 33 2.871 4.827 -2.386 1.00 25.00 H new ATOM 482 N SER A 34 6.889 5.976 -1.035 1.00 25.00 N ATOM 483 CA SER A 34 6.467 5.205 0.159 1.00 25.00 C ATOM 484 C SER A 34 6.780 5.928 1.517 1.00 25.00 C ATOM 485 O SER A 34 7.484 5.366 2.379 1.00 25.00 O ATOM 486 CB SER A 34 7.062 3.789 0.144 1.00 25.00 C ATOM 487 OG SER A 34 6.169 2.915 0.820 1.00 25.00 O ATOM 0 H SER A 34 7.797 5.676 -1.389 1.00 25.00 H new ATOM 0 HA SER A 34 5.381 5.132 0.097 1.00 25.00 H new ATOM 0 HB2 SER A 34 7.215 3.454 -0.882 1.00 25.00 H new ATOM 0 HB3 SER A 34 8.038 3.783 0.630 1.00 25.00 H new ATOM 0 HG SER A 34 6.536 2.006 0.817 1.00 25.00 H new ATOM 493 N LEU A 35 6.302 7.160 1.692 1.00 25.00 N ATOM 494 CA LEU A 35 6.559 7.873 2.900 1.00 25.00 C ATOM 495 C LEU A 35 5.419 7.533 3.874 1.00 25.00 C ATOM 496 O LEU A 35 4.236 7.600 3.571 1.00 25.00 O ATOM 497 CB LEU A 35 6.631 9.376 2.674 1.00 25.00 C ATOM 498 CG LEU A 35 7.791 9.982 1.918 1.00 25.00 C ATOM 499 CD1 LEU A 35 7.656 9.883 0.407 1.00 50.00 C ATOM 500 CD2 LEU A 35 7.822 11.472 2.284 1.00 50.00 C ATOM 0 H LEU A 35 5.741 7.665 1.006 1.00 25.00 H new ATOM 0 HA LEU A 35 7.528 7.577 3.301 1.00 25.00 H new ATOM 0 HB2 LEU A 35 5.719 9.667 2.152 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.603 9.851 3.655 1.00 25.00 H new ATOM 0 HG LEU A 35 8.694 9.437 2.194 1.00 25.00 H new ATOM 0 HD11 LEU A 35 8.525 10.339 -0.067 1.00 50.00 H new ATOM 0 HD12 LEU A 35 7.592 8.835 0.115 1.00 50.00 H new ATOM 0 HD13 LEU A 35 6.754 10.404 0.087 1.00 50.00 H new ATOM 0 HD21 LEU A 35 8.646 11.958 1.762 1.00 50.00 H new ATOM 0 HD22 LEU A 35 6.881 11.938 1.991 1.00 50.00 H new ATOM 0 HD23 LEU A 35 7.961 11.580 3.360 1.00 50.00 H new ATOM 512 N GLU A 36 5.767 7.249 5.130 1.00 25.00 N ATOM 513 CA GLU A 36 4.895 6.998 6.264 1.00 25.00 C ATOM 514 C GLU A 36 5.185 8.076 7.228 1.00 25.00 C ATOM 515 O GLU A 36 6.308 8.543 7.475 1.00 25.00 O ATOM 516 CB GLU A 36 5.036 5.631 6.885 1.00 25.00 C ATOM 517 CG GLU A 36 4.818 4.406 5.957 1.00 25.00 C ATOM 518 CD GLU A 36 4.788 3.076 6.770 1.00 25.00 C ATOM 519 OE1 GLU A 36 5.799 2.754 7.453 1.00 25.00 O ATOM 520 OE2 GLU A 36 3.751 2.338 6.860 1.00 25.00 O1- ATOM 0 H GLU A 36 6.750 7.185 5.395 1.00 25.00 H new ATOM 0 HA GLU A 36 3.857 7.001 5.932 1.00 25.00 H new ATOM 0 HB2 GLU A 36 6.035 5.556 7.315 1.00 25.00 H new ATOM 0 HB3 GLU A 36 4.328 5.560 7.711 1.00 25.00 H new ATOM 0 HG2 GLU A 36 3.881 4.522 5.412 1.00 25.00 H new ATOM 0 HG3 GLU A 36 5.615 4.363 5.215 1.00 25.00 H new ATOM 527 N ALA A 37 4.148 8.395 7.965 1.00 25.00 N ATOM 528 CA ALA A 37 4.257 9.171 9.169 1.00 25.00 C ATOM 529 C ALA A 37 3.064 8.723 9.946 1.00 25.00 C ATOM 530 O ALA A 37 2.236 7.889 9.494 1.00 25.00 O ATOM 531 CB ALA A 37 4.237 10.688 8.951 1.00 25.00 C ATOM 0 H ALA A 37 3.193 8.117 7.739 1.00 25.00 H new ATOM 0 HA ALA A 37 5.214 9.010 9.665 1.00 25.00 H new ATOM 0 HB1 ALA A 37 4.324 11.195 9.912 1.00 25.00 H new ATOM 0 HB2 ALA A 37 5.073 10.975 8.312 1.00 25.00 H new ATOM 0 HB3 ALA A 37 3.300 10.975 8.473 1.00 25.00 H new ATOM 537 N LYS A 38 2.930 9.224 11.184 1.00 25.00 N ATOM 538 CA LYS A 38 1.859 8.668 12.072 1.00 25.00 C ATOM 539 C LYS A 38 0.585 9.477 12.186 1.00 25.00 C ATOM 540 O LYS A 38 0.543 10.609 11.714 1.00 25.00 O ATOM 541 CB LYS A 38 2.532 8.458 13.443 1.00 25.00 C ATOM 542 CG LYS A 38 2.077 7.287 14.315 1.00 25.00 C ATOM 543 CD LYS A 38 3.191 6.717 15.273 1.00 25.00 C ATOM 544 CE LYS A 38 2.660 5.387 15.825 1.00 25.00 C ATOM 545 NZ LYS A 38 2.591 4.271 14.740 1.00 25.00 N1+ ATOM 0 H LYS A 38 3.502 9.966 11.588 1.00 25.00 H new ATOM 0 HA LYS A 38 1.488 7.745 11.626 1.00 25.00 H new ATOM 0 HB2 LYS A 38 3.603 8.345 13.271 1.00 25.00 H new ATOM 0 HB3 LYS A 38 2.396 9.372 14.021 1.00 25.00 H new ATOM 0 HG2 LYS A 38 1.226 7.607 14.917 1.00 25.00 H new ATOM 0 HG3 LYS A 38 1.725 6.483 13.668 1.00 25.00 H new ATOM 0 HD2 LYS A 38 4.126 6.566 14.733 1.00 25.00 H new ATOM 0 HD3 LYS A 38 3.400 7.416 16.083 1.00 25.00 H new ATOM 0 HE2 LYS A 38 3.301 5.055 16.642 1.00 25.00 H new ATOM 0 HE3 LYS A 38 1.666 5.543 16.244 1.00 25.00 H new ATOM 0 HZ1 LYS A 38 1.704 3.739 14.845 1.00 25.00 H new ATOM 0 HZ2 LYS A 38 2.625 4.703 13.795 1.00 25.00 H new ATOM 0 HZ3 LYS A 38 3.398 3.625 14.855 1.00 25.00 H new ATOM 559 N LYS A 39 -0.417 8.881 12.767 1.00 25.00 N ATOM 560 CA LYS A 39 -1.619 9.528 13.086 1.00 25.00 C ATOM 561 C LYS A 39 -1.379 10.762 13.907 1.00 25.00 C ATOM 562 O LYS A 39 -0.503 10.840 14.781 1.00 25.00 O ATOM 563 CB LYS A 39 -2.599 8.600 13.737 1.00 25.00 C ATOM 564 CG LYS A 39 -3.606 7.940 12.799 1.00 25.00 C ATOM 565 CD LYS A 39 -4.565 7.045 13.504 1.00 25.00 C ATOM 566 CE LYS A 39 -5.505 6.467 12.599 1.00 25.00 C ATOM 567 NZ LYS A 39 -6.157 5.185 13.105 1.00 25.00 N1+ ATOM 0 H LYS A 39 -0.400 7.897 13.033 1.00 25.00 H new ATOM 0 HA LYS A 39 -2.071 9.850 12.148 1.00 25.00 H new ATOM 0 HB2 LYS A 39 -2.043 7.817 14.253 1.00 25.00 H new ATOM 0 HB3 LYS A 39 -3.148 9.155 14.498 1.00 25.00 H new ATOM 0 HG2 LYS A 39 -4.163 8.714 12.271 1.00 25.00 H new ATOM 0 HG3 LYS A 39 -3.068 7.364 12.046 1.00 25.00 H new ATOM 0 HD2 LYS A 39 -4.017 6.254 14.015 1.00 25.00 H new ATOM 0 HD3 LYS A 39 -5.096 7.611 14.270 1.00 25.00 H new ATOM 0 HE2 LYS A 39 -6.285 7.198 12.388 1.00 25.00 H new ATOM 0 HE3 LYS A 39 -5.001 6.257 11.656 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 -6.849 4.848 12.406 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 -5.428 4.458 13.248 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 -6.639 5.373 14.007 1.00 25.00 H new ATOM 781 N LEU A 57 8.974 19.295 10.168 1.00 25.00 N ATOM 782 CA LEU A 57 9.779 20.472 10.280 1.00 25.00 C ATOM 783 C LEU A 57 9.675 21.228 8.995 1.00 25.00 C ATOM 784 O LEU A 57 10.013 20.648 7.946 1.00 25.00 O ATOM 785 CB LEU A 57 11.217 20.151 10.670 1.00 25.00 C ATOM 786 CG LEU A 57 11.396 19.154 11.887 1.00 25.00 C ATOM 787 CD1 LEU A 57 12.731 18.559 11.790 1.00 50.00 C ATOM 788 CD2 LEU A 57 11.224 19.871 13.256 1.00 50.00 C ATOM 0 HA LEU A 57 9.409 21.099 11.091 1.00 25.00 H new ATOM 0 HB2 LEU A 57 11.723 19.729 9.802 1.00 25.00 H new ATOM 0 HB3 LEU A 57 11.725 21.085 10.912 1.00 25.00 H new ATOM 0 HG LEU A 57 10.624 18.386 11.836 1.00 25.00 H new ATOM 0 HD11 LEU A 57 12.882 17.866 12.618 1.00 50.00 H new ATOM 0 HD12 LEU A 57 12.822 18.022 10.846 1.00 50.00 H new ATOM 0 HD13 LEU A 57 13.484 19.346 11.834 1.00 50.00 H new ATOM 0 HD21 LEU A 57 11.355 19.150 14.063 1.00 50.00 H new ATOM 0 HD22 LEU A 57 11.970 20.660 13.350 1.00 50.00 H new ATOM 0 HD23 LEU A 57 10.226 20.306 13.316 1.00 50.00 H new ATOM 800 N PHE A 58 9.163 22.429 9.045 1.00 25.00 N ATOM 801 CA PHE A 58 8.949 23.162 7.756 1.00 25.00 C ATOM 802 C PHE A 58 10.305 23.662 7.279 1.00 25.00 C ATOM 803 O PHE A 58 10.485 23.959 6.111 1.00 25.00 O ATOM 804 CB PHE A 58 8.026 24.358 8.029 1.00 25.00 C ATOM 805 CG PHE A 58 8.240 25.047 9.348 1.00 25.00 C ATOM 806 CD1 PHE A 58 7.482 24.712 10.468 1.00 50.00 C ATOM 807 CD2 PHE A 58 9.284 26.018 9.542 1.00 50.00 C ATOM 808 CE1 PHE A 58 7.694 25.358 11.757 1.00 25.00 C ATOM 809 CE2 PHE A 58 9.570 26.624 10.792 1.00 25.00 C ATOM 810 CZ PHE A 58 8.799 26.258 11.904 1.00 25.00 C ATOM 0 H PHE A 58 8.890 22.925 9.893 1.00 25.00 H new ATOM 0 HA PHE A 58 8.498 22.518 7.001 1.00 25.00 H new ATOM 0 HB2 PHE A 58 8.159 25.088 7.231 1.00 25.00 H new ATOM 0 HB3 PHE A 58 6.992 24.017 7.980 1.00 25.00 H new ATOM 0 HD1 PHE A 58 6.718 23.954 10.379 1.00 50.00 H new ATOM 0 HD2 PHE A 58 9.883 26.301 8.689 1.00 50.00 H new ATOM 0 HE1 PHE A 58 7.030 25.162 12.586 1.00 25.00 H new ATOM 0 HE2 PHE A 58 10.364 27.351 10.885 1.00 25.00 H new ATOM 0 HZ PHE A 58 9.040 26.657 12.878 1.00 25.00 H new ATOM 820 N GLY A 59 11.285 23.792 8.162 1.00 25.00 N ATOM 821 CA GLY A 59 12.610 24.331 7.739 1.00 25.00 C ATOM 822 C GLY A 59 13.348 23.125 7.188 1.00 25.00 C ATOM 823 O GLY A 59 14.248 23.170 6.339 1.00 25.00 O ATOM 0 H GLY A 59 11.213 23.546 9.149 1.00 25.00 H new ATOM 0 HA2 GLY A 59 12.500 25.109 6.984 1.00 25.00 H new ATOM 0 HA3 GLY A 59 13.145 24.775 8.578 1.00 25.00 H new ATOM 827 N GLY A 60 12.828 21.990 7.638 1.00 25.00 N ATOM 828 CA GLY A 60 13.337 20.694 7.196 1.00 25.00 C ATOM 829 C GLY A 60 13.051 20.437 5.711 1.00 25.00 C ATOM 830 O GLY A 60 13.759 19.663 5.048 1.00 25.00 O ATOM 0 H GLY A 60 12.058 21.938 8.305 1.00 25.00 H new ATOM 0 HA2 GLY A 60 14.412 20.649 7.371 1.00 25.00 H new ATOM 0 HA3 GLY A 60 12.883 19.904 7.794 1.00 25.00 H new ATOM 834 N ILE A 61 12.072 21.142 5.162 1.00 25.00 N ATOM 835 CA ILE A 61 11.799 20.954 3.730 1.00 25.00 C ATOM 836 C ILE A 61 12.785 21.668 2.818 1.00 25.00 C ATOM 837 O ILE A 61 13.242 21.156 1.783 1.00 25.00 O ATOM 838 CB ILE A 61 10.338 21.357 3.346 1.00 25.00 C ATOM 839 CG1 ILE A 61 9.296 20.520 4.164 1.00 25.00 C ATOM 840 CG2 ILE A 61 10.101 21.124 1.853 1.00 25.00 C ATOM 841 CD1 ILE A 61 7.829 20.577 3.875 1.00 25.00 C ATOM 0 H ILE A 61 11.478 21.815 5.647 1.00 25.00 H new ATOM 0 HA ILE A 61 11.925 19.883 3.568 1.00 25.00 H new ATOM 0 HB ILE A 61 10.210 22.414 3.579 1.00 25.00 H new ATOM 0 HG12 ILE A 61 9.593 19.475 4.075 1.00 25.00 H new ATOM 0 HG13 ILE A 61 9.421 20.799 5.210 1.00 25.00 H new ATOM 0 HG21 ILE A 61 9.080 21.408 1.598 1.00 25.00 H new ATOM 0 HG22 ILE A 61 10.801 21.727 1.275 1.00 25.00 H new ATOM 0 HG23 ILE A 61 10.253 20.070 1.621 1.00 25.00 H new ATOM 0 HD11 ILE A 61 7.297 19.919 4.562 1.00 25.00 H new ATOM 0 HD12 ILE A 61 7.472 21.599 4.003 1.00 25.00 H new ATOM 0 HD13 ILE A 61 7.647 20.255 2.850 1.00 25.00 H new ATOM 853 N LEU A 62 13.215 22.849 3.207 1.00 25.00 N ATOM 854 CA LEU A 62 14.284 23.557 2.498 1.00 25.00 C ATOM 855 C LEU A 62 15.631 22.862 2.670 1.00 25.00 C ATOM 856 O LEU A 62 16.390 22.787 1.745 1.00 25.00 O ATOM 857 CB LEU A 62 14.380 25.020 2.975 1.00 25.00 C ATOM 858 CG LEU A 62 13.583 26.059 2.181 1.00 25.00 C ATOM 859 CD1 LEU A 62 12.076 25.792 2.248 1.00 75.00 C ATOM 860 CD2 LEU A 62 13.956 27.446 2.653 1.00 75.00 C ATOM 0 H LEU A 62 12.844 23.350 4.014 1.00 25.00 H new ATOM 0 HA LEU A 62 14.032 23.545 1.438 1.00 25.00 H new ATOM 0 HB2 LEU A 62 14.051 25.061 4.013 1.00 25.00 H new ATOM 0 HB3 LEU A 62 15.430 25.314 2.961 1.00 25.00 H new ATOM 0 HG LEU A 62 13.844 25.981 1.126 1.00 25.00 H new ATOM 0 HD11 LEU A 62 11.546 26.551 1.672 1.00 75.00 H new ATOM 0 HD12 LEU A 62 11.862 24.807 1.833 1.00 75.00 H new ATOM 0 HD13 LEU A 62 11.746 25.828 3.286 1.00 75.00 H new ATOM 0 HD21 LEU A 62 13.390 28.187 2.089 1.00 75.00 H new ATOM 0 HD22 LEU A 62 13.725 27.544 3.714 1.00 75.00 H new ATOM 0 HD23 LEU A 62 15.022 27.609 2.497 1.00 75.00 H new ATOM 872 N ASP A 63 15.893 22.254 3.851 1.00 25.00 N ATOM 873 CA ASP A 63 17.181 21.680 4.169 1.00 25.00 C ATOM 874 C ASP A 63 17.310 20.323 3.539 1.00 25.00 C ATOM 875 O ASP A 63 18.348 19.652 3.486 1.00 25.00 O ATOM 876 CB ASP A 63 17.213 21.567 5.721 1.00 25.00 C ATOM 877 CG ASP A 63 18.540 21.124 6.272 1.00 25.00 C ATOM 878 OD1 ASP A 63 19.651 21.664 5.957 1.00 50.00 O ATOM 879 OD2 ASP A 63 18.516 20.240 7.173 1.00 50.00 O1- ATOM 0 H ASP A 63 15.204 22.158 4.597 1.00 25.00 H new ATOM 0 HA ASP A 63 18.004 22.288 3.794 1.00 25.00 H new ATOM 0 HB2 ASP A 63 16.957 22.535 6.151 1.00 25.00 H new ATOM 0 HB3 ASP A 63 16.445 20.863 6.040 1.00 25.00 H new ATOM 884 N GLN A 64 16.210 19.907 2.948 1.00 25.00 N ATOM 885 CA GLN A 64 16.196 18.575 2.289 1.00 25.00 C ATOM 886 C GLN A 64 16.818 18.651 0.862 1.00 25.00 C ATOM 887 O GLN A 64 16.080 18.628 -0.152 1.00 25.00 O ATOM 888 CB GLN A 64 14.758 18.016 2.209 1.00 25.00 C ATOM 889 CG GLN A 64 14.669 16.477 1.645 1.00 25.00 C ATOM 890 CD GLN A 64 15.638 15.500 2.256 1.00 25.00 C ATOM 891 OE1 GLN A 64 16.711 15.185 1.743 1.00 25.00 O ATOM 892 NE2 GLN A 64 15.272 14.993 3.442 1.00 25.00 N ATOM 0 H GLN A 64 15.336 20.431 2.898 1.00 25.00 H new ATOM 0 HA GLN A 64 16.800 17.900 2.895 1.00 25.00 H new ATOM 0 HB2 GLN A 64 14.309 18.055 3.201 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.163 18.663 1.564 1.00 25.00 H new ATOM 0 HG2 GLN A 64 13.657 16.107 1.809 1.00 25.00 H new ATOM 0 HG3 GLN A 64 14.831 16.495 0.567 1.00 25.00 H new ATOM 0 HE21 GLN A 64 14.380 15.261 3.858 1.00 25.00 H new ATOM 0 HE22 GLN A 64 15.885 14.339 3.928 1.00 25.00 H new ATOM 901 N GLN A 65 18.111 18.742 0.788 1.00 25.00 N ATOM 902 CA GLN A 65 18.914 18.830 -0.407 1.00 25.00 C ATOM 903 C GLN A 65 19.978 17.741 -0.275 1.00 25.00 C ATOM 904 O GLN A 65 21.180 17.972 -0.349 1.00 25.00 O ATOM 905 CB GLN A 65 19.543 20.218 -0.615 1.00 25.00 C ATOM 906 CG GLN A 65 18.402 21.268 -1.013 1.00 25.00 C ATOM 907 CD GLN A 65 18.942 22.619 -1.111 1.00 25.00 C ATOM 908 OE1 GLN A 65 20.071 22.882 -1.592 1.00 25.00 O ATOM 909 NE2 GLN A 65 18.169 23.567 -0.645 1.00 25.00 N ATOM 0 H GLN A 65 18.686 18.758 1.631 1.00 25.00 H new ATOM 0 HA GLN A 65 18.292 18.684 -1.290 1.00 25.00 H new ATOM 0 HB2 GLN A 65 20.047 20.541 0.296 1.00 25.00 H new ATOM 0 HB3 GLN A 65 20.299 20.172 -1.399 1.00 25.00 H new ATOM 0 HG2 GLN A 65 17.956 20.981 -1.965 1.00 25.00 H new ATOM 0 HG3 GLN A 65 17.606 21.244 -0.269 1.00 25.00 H new ATOM 0 HE21 GLN A 65 17.254 23.335 -0.258 1.00 25.00 H new ATOM 0 HE22 GLN A 65 18.481 24.538 -0.669 1.00 25.00 H new ATOM 918 N SER A 66 19.489 16.567 0.160 1.00 25.00 N ATOM 919 CA SER A 66 20.382 15.477 0.446 1.00 25.00 C ATOM 920 C SER A 66 19.788 14.353 -0.367 1.00 25.00 C ATOM 921 O SER A 66 18.842 14.569 -1.141 1.00 25.00 O ATOM 922 CB SER A 66 20.266 15.229 1.945 1.00 25.00 C ATOM 923 OG SER A 66 21.121 14.172 2.314 1.00 25.00 O ATOM 0 H SER A 66 18.500 16.369 0.313 1.00 25.00 H new ATOM 0 HA SER A 66 21.436 15.621 0.208 1.00 25.00 H new ATOM 0 HB2 SER A 66 20.529 16.132 2.495 1.00 25.00 H new ATOM 0 HB3 SER A 66 19.236 14.986 2.205 1.00 25.00 H new ATOM 0 HG SER A 66 21.048 14.013 3.278 1.00 25.00 H new ATOM 929 N GLU A 67 20.223 13.142 -0.107 1.00 25.00 N ATOM 930 CA GLU A 67 19.815 11.971 -0.850 1.00 25.00 C ATOM 931 C GLU A 67 18.327 11.536 -0.751 1.00 25.00 C ATOM 932 O GLU A 67 17.841 10.961 -1.687 1.00 25.00 O ATOM 933 CB GLU A 67 20.660 10.813 -0.333 1.00 25.00 C ATOM 934 CG GLU A 67 22.001 10.599 -1.030 1.00 25.00 C ATOM 935 CD GLU A 67 23.051 11.615 -0.462 1.00 25.00 C ATOM 936 OE1 GLU A 67 23.497 11.414 0.708 1.00 25.00 O ATOM 937 OE2 GLU A 67 23.415 12.589 -1.182 1.00 25.00 O1- ATOM 0 H GLU A 67 20.884 12.939 0.643 1.00 25.00 H new ATOM 0 HA GLU A 67 19.954 12.234 -1.899 1.00 25.00 H new ATOM 0 HB2 GLU A 67 20.846 10.971 0.729 1.00 25.00 H new ATOM 0 HB3 GLU A 67 20.077 9.896 -0.421 1.00 25.00 H new ATOM 0 HG2 GLU A 67 22.346 9.577 -0.873 1.00 25.00 H new ATOM 0 HG3 GLU A 67 21.890 10.737 -2.106 1.00 25.00 H new ATOM 944 N ASN A 68 17.626 12.028 0.261 1.00 25.00 N ATOM 945 CA ASN A 68 16.204 11.749 0.418 1.00 25.00 C ATOM 946 C ASN A 68 15.344 12.967 -0.148 1.00 25.00 C ATOM 947 O ASN A 68 14.175 13.187 0.144 1.00 25.00 O ATOM 948 CB ASN A 68 15.886 11.522 1.887 1.00 25.00 C ATOM 949 CG ASN A 68 14.568 10.745 2.100 1.00 25.00 C ATOM 950 OD1 ASN A 68 13.744 10.561 1.158 1.00 25.00 O ATOM 951 ND2 ASN A 68 14.383 10.257 3.280 1.00 25.00 N ATOM 0 H ASN A 68 18.020 12.625 0.988 1.00 25.00 H new ATOM 0 HA ASN A 68 15.951 10.850 -0.144 1.00 25.00 H new ATOM 0 HB2 ASN A 68 16.705 10.973 2.351 1.00 25.00 H new ATOM 0 HB3 ASN A 68 15.821 12.485 2.393 1.00 25.00 H new ATOM 0 HD21 ASN A 68 13.550 9.702 3.478 1.00 25.00 H new ATOM 0 HD22 ASN A 68 15.069 10.426 4.015 1.00 25.00 H new ATOM 958 N ARG A 69 15.957 13.709 -1.060 1.00 25.00 N ATOM 959 CA ARG A 69 15.270 14.757 -1.820 1.00 25.00 C ATOM 960 C ARG A 69 14.629 14.132 -3.070 1.00 25.00 C ATOM 961 O ARG A 69 15.210 13.663 -4.026 1.00 25.00 O ATOM 962 CB ARG A 69 16.139 15.930 -2.222 1.00 25.00 C ATOM 963 CG ARG A 69 15.440 16.994 -3.033 1.00 25.00 C ATOM 964 CD ARG A 69 16.343 18.129 -3.430 1.00 25.00 C ATOM 965 NE ARG A 69 15.977 18.699 -4.719 1.00 25.00 N ATOM 966 CZ ARG A 69 14.998 19.545 -5.074 1.00 25.00 C ATOM 967 NH1 ARG A 69 14.049 19.860 -4.217 1.00 25.00 N1+ ATOM 968 NH2 ARG A 69 14.768 19.870 -6.289 1.00 25.00 N ATOM 0 H ARG A 69 16.944 13.606 -1.297 1.00 25.00 H new ATOM 0 HA ARG A 69 14.519 15.173 -1.148 1.00 25.00 H new ATOM 0 HB2 ARG A 69 16.543 16.389 -1.320 1.00 25.00 H new ATOM 0 HB3 ARG A 69 16.986 15.555 -2.796 1.00 25.00 H new ATOM 0 HG2 ARG A 69 15.022 16.540 -3.932 1.00 25.00 H new ATOM 0 HG3 ARG A 69 14.603 17.389 -2.457 1.00 25.00 H new ATOM 0 HD2 ARG A 69 16.304 18.906 -2.667 1.00 25.00 H new ATOM 0 HD3 ARG A 69 17.373 17.774 -3.471 1.00 25.00 H new ATOM 0 HE ARG A 69 16.573 18.401 -5.492 1.00 25.00 H new ATOM 0 HH11 ARG A 69 14.056 19.460 -3.279 1.00 25.00 H new ATOM 0 HH12 ARG A 69 13.307 20.504 -4.492 1.00 25.00 H new ATOM 0 HH21 ARG A 69 15.341 19.482 -7.038 1.00 25.00 H new ATOM 0 HH22 ARG A 69 14.011 20.518 -6.509 1.00 25.00 H new ATOM 982 N TRP A 70 13.356 14.042 -2.722 1.00 25.00 N ATOM 983 CA TRP A 70 12.257 13.794 -3.695 1.00 25.00 C ATOM 984 C TRP A 70 12.512 14.479 -5.041 1.00 25.00 C ATOM 985 O TRP A 70 13.186 15.526 -5.140 1.00 25.00 O ATOM 986 CB TRP A 70 10.959 14.350 -3.108 1.00 25.00 C ATOM 987 CG TRP A 70 11.167 15.698 -2.459 1.00 25.00 C ATOM 988 CD1 TRP A 70 11.471 16.867 -3.040 1.00 25.00 C ATOM 989 CD2 TRP A 70 10.993 16.007 -1.069 1.00 25.00 C ATOM 990 NE1 TRP A 70 11.562 17.900 -2.139 1.00 25.00 N ATOM 991 CE2 TRP A 70 11.267 17.409 -0.906 1.00 25.00 C ATOM 992 CE3 TRP A 70 10.629 15.253 0.070 1.00 25.00 C ATOM 993 CZ2 TRP A 70 11.329 18.003 0.358 1.00 25.00 C ATOM 994 CZ3 TRP A 70 10.674 15.867 1.361 1.00 25.00 C ATOM 995 CH2 TRP A 70 11.028 17.250 1.500 1.00 25.00 C ATOM 0 H TRP A 70 13.035 14.136 -1.759 1.00 25.00 H new ATOM 0 HA TRP A 70 12.196 12.720 -3.869 1.00 25.00 H new ATOM 0 HB2 TRP A 70 10.212 14.438 -3.897 1.00 25.00 H new ATOM 0 HB3 TRP A 70 10.564 13.650 -2.372 1.00 25.00 H new ATOM 0 HD1 TRP A 70 11.628 16.984 -4.102 1.00 25.00 H new ATOM 0 HE1 TRP A 70 11.808 18.866 -2.357 1.00 25.00 H new ATOM 0 HE3 TRP A 70 10.320 14.223 -0.034 1.00 25.00 H new ATOM 0 HZ2 TRP A 70 11.609 19.042 0.454 1.00 25.00 H new ATOM 0 HZ3 TRP A 70 10.439 15.284 2.239 1.00 25.00 H new ATOM 0 HH2 TRP A 70 11.062 17.707 2.478 1.00 25.00 H new ATOM 1006 N PHE A 71 12.112 13.822 -6.149 1.00 25.00 N ATOM 1007 CA PHE A 71 12.449 14.341 -7.473 1.00 25.00 C ATOM 1008 C PHE A 71 11.711 15.608 -7.883 1.00 25.00 C ATOM 1009 O PHE A 71 10.642 15.927 -7.402 1.00 25.00 O ATOM 1010 CB PHE A 71 12.222 13.317 -8.586 1.00 25.00 C ATOM 1011 CG PHE A 71 10.825 12.838 -8.706 1.00 25.00 C ATOM 1012 CD1 PHE A 71 10.411 11.652 -8.101 1.00 50.00 C ATOM 1013 CD2 PHE A 71 9.841 13.556 -9.429 1.00 50.00 C ATOM 1014 CE1 PHE A 71 8.994 11.168 -8.228 1.00 25.00 C ATOM 1015 CE2 PHE A 71 8.443 13.060 -9.571 1.00 25.00 C ATOM 1016 CZ PHE A 71 8.028 11.884 -8.950 1.00 25.00 C ATOM 0 H PHE A 71 11.571 12.957 -6.148 1.00 25.00 H new ATOM 0 HA PHE A 71 13.507 14.577 -7.361 1.00 25.00 H new ATOM 0 HB2 PHE A 71 12.524 13.759 -9.536 1.00 25.00 H new ATOM 0 HB3 PHE A 71 12.873 12.460 -8.412 1.00 25.00 H new ATOM 0 HD1 PHE A 71 11.121 11.071 -7.531 1.00 50.00 H new ATOM 0 HD2 PHE A 71 10.113 14.493 -9.892 1.00 50.00 H new ATOM 0 HE1 PHE A 71 8.711 10.242 -7.749 1.00 25.00 H new ATOM 0 HE2 PHE A 71 7.739 13.622 -10.166 1.00 25.00 H new ATOM 0 HZ PHE A 71 7.007 11.539 -9.021 1.00 25.00 H new ATOM 1026 N LYS A 72 12.339 16.391 -8.747 1.00 25.00 N ATOM 1027 CA LYS A 72 11.757 17.672 -9.275 1.00 25.00 C ATOM 1028 C LYS A 72 11.043 17.406 -10.667 1.00 25.00 C ATOM 1029 O LYS A 72 11.517 16.550 -11.423 1.00 25.00 O ATOM 1030 CB LYS A 72 12.774 18.776 -9.355 1.00 25.00 C ATOM 1031 CG LYS A 72 12.209 20.256 -9.492 1.00 25.00 C ATOM 1032 CD LYS A 72 13.240 21.288 -9.704 1.00 25.00 C ATOM 1033 CE LYS A 72 13.772 21.336 -11.136 1.00 25.00 C ATOM 1034 NZ LYS A 72 14.684 22.467 -11.237 1.00 25.00 N1+ ATOM 0 H LYS A 72 13.266 16.180 -9.117 1.00 25.00 H new ATOM 0 HA LYS A 72 11.006 18.021 -8.567 1.00 25.00 H new ATOM 0 HB2 LYS A 72 13.397 18.731 -8.462 1.00 25.00 H new ATOM 0 HB3 LYS A 72 13.424 18.579 -10.208 1.00 25.00 H new ATOM 0 HG2 LYS A 72 11.506 20.287 -10.324 1.00 25.00 H new ATOM 0 HG3 LYS A 72 11.647 20.502 -8.591 1.00 25.00 H new ATOM 0 HD2 LYS A 72 12.825 22.263 -9.447 1.00 25.00 H new ATOM 0 HD3 LYS A 72 14.071 21.105 -9.023 1.00 25.00 H new ATOM 0 HE2 LYS A 72 14.287 20.408 -11.383 1.00 25.00 H new ATOM 0 HE3 LYS A 72 12.951 21.444 -11.845 1.00 25.00 H new ATOM 0 HZ1 LYS A 72 15.452 22.235 -11.899 1.00 25.00 H new ATOM 0 HZ2 LYS A 72 14.167 23.300 -11.584 1.00 25.00 H new ATOM 0 HZ3 LYS A 72 15.085 22.674 -10.300 1.00 25.00 H new ATOM 1048 N HIS A 73 10.040 18.168 -11.071 1.00 25.00 N ATOM 1049 CA HIS A 73 9.551 18.057 -12.436 1.00 25.00 C ATOM 1050 C HIS A 73 9.353 19.423 -12.997 1.00 25.00 C ATOM 1051 O HIS A 73 9.098 20.316 -12.241 1.00 25.00 O ATOM 1052 CB HIS A 73 8.275 17.282 -12.489 1.00 25.00 C ATOM 1053 CG HIS A 73 8.358 15.888 -13.057 1.00 25.00 C ATOM 1054 ND1 HIS A 73 9.202 15.478 -14.089 1.00 25.00 N ATOM 1055 CD2 HIS A 73 7.684 14.818 -12.709 1.00 25.00 C ATOM 1056 CE1 HIS A 73 8.989 14.188 -14.296 1.00 25.00 C ATOM 1057 NE2 HIS A 73 8.109 13.750 -13.437 1.00 25.00 N ATOM 0 H HIS A 73 9.558 18.854 -10.490 1.00 25.00 H new ATOM 0 HA HIS A 73 10.288 17.520 -13.033 1.00 25.00 H new ATOM 0 HB2 HIS A 73 7.874 17.215 -11.478 1.00 25.00 H new ATOM 0 HB3 HIS A 73 7.556 17.849 -13.080 1.00 25.00 H new ATOM 0 HD2 HIS A 73 6.909 14.789 -11.958 1.00 25.00 H new ATOM 0 HE1 HIS A 73 9.469 13.591 -15.057 1.00 25.00 H new ATOM 0 HE2 HIS A 73 7.797 12.785 -13.331 1.00 25.00 H new ATOM 1065 N ILE A 74 9.509 19.704 -14.287 1.00 25.00 N ATOM 1066 CA ILE A 74 9.180 21.027 -14.863 1.00 25.00 C ATOM 1067 C ILE A 74 7.915 20.979 -15.718 1.00 25.00 C ATOM 1068 O ILE A 74 7.794 20.054 -16.522 1.00 25.00 O ATOM 1069 CB ILE A 74 10.353 21.625 -15.765 1.00 25.00 C ATOM 1070 CG1 ILE A 74 11.665 21.610 -14.987 1.00 25.00 C ATOM 1071 CG2 ILE A 74 10.061 22.991 -16.295 1.00 25.00 C ATOM 1072 CD1 ILE A 74 12.880 21.689 -15.988 1.00 25.00 C ATOM 0 H ILE A 74 9.864 19.033 -14.969 1.00 25.00 H new ATOM 0 HA ILE A 74 9.028 21.674 -13.999 1.00 25.00 H new ATOM 0 HB ILE A 74 10.438 20.981 -16.640 1.00 25.00 H new ATOM 0 HG12 ILE A 74 11.697 22.451 -14.294 1.00 25.00 H new ATOM 0 HG13 ILE A 74 11.733 20.701 -14.389 1.00 25.00 H new ATOM 0 HG21 ILE A 74 10.901 23.334 -16.899 1.00 25.00 H new ATOM 0 HG22 ILE A 74 9.162 22.958 -16.910 1.00 25.00 H new ATOM 0 HG23 ILE A 74 9.907 23.679 -15.463 1.00 25.00 H new ATOM 0 HD11 ILE A 74 13.815 21.678 -15.427 1.00 25.00 H new ATOM 0 HD12 ILE A 74 12.852 20.834 -16.663 1.00 25.00 H new ATOM 0 HD13 ILE A 74 12.815 22.610 -16.567 1.00 25.00 H new ATOM 1084 N MET A 75 7.007 21.945 -15.541 1.00 25.00 N ATOM 1085 CA MET A 75 5.750 22.027 -16.276 1.00 25.00 C ATOM 1086 C MET A 75 5.490 23.481 -16.496 1.00 25.00 C ATOM 1087 O MET A 75 6.121 24.330 -15.914 1.00 25.00 O ATOM 1088 CB MET A 75 4.563 21.348 -15.494 1.00 25.00 C ATOM 1089 CG MET A 75 4.584 19.822 -15.514 1.00 25.00 C ATOM 1090 SD MET A 75 4.546 18.981 -17.038 1.00 25.00 S ATOM 1091 CE MET A 75 2.700 19.144 -17.415 1.00 25.00 C ATOM 0 H MET A 75 7.132 22.703 -14.870 1.00 25.00 H new ATOM 0 HA MET A 75 5.823 21.488 -17.221 1.00 25.00 H new ATOM 0 HB2 MET A 75 4.587 21.686 -14.458 1.00 25.00 H new ATOM 0 HB3 MET A 75 3.620 21.692 -15.920 1.00 25.00 H new ATOM 0 HG2 MET A 75 5.483 19.501 -14.987 1.00 25.00 H new ATOM 0 HG3 MET A 75 3.731 19.476 -14.930 1.00 25.00 H new ATOM 0 HE1 MET A 75 2.344 18.231 -17.893 1.00 25.00 H new ATOM 0 HE2 MET A 75 2.152 19.305 -16.487 1.00 25.00 H new ATOM 0 HE3 MET A 75 2.538 19.990 -18.083 1.00 25.00 H new ATOM 1101 N THR A 76 4.501 23.788 -17.325 1.00 25.00 N ATOM 1102 CA THR A 76 4.100 25.202 -17.519 1.00 25.00 C ATOM 1103 C THR A 76 3.059 25.592 -16.594 1.00 25.00 C ATOM 1104 O THR A 76 2.582 24.700 -15.920 1.00 25.00 O ATOM 1105 CB THR A 76 3.493 25.367 -18.911 1.00 25.00 C ATOM 1106 OG1 THR A 76 2.379 24.472 -19.055 1.00 25.00 O ATOM 1107 CG2 THR A 76 4.601 25.126 -19.917 1.00 25.00 C ATOM 0 H THR A 76 3.966 23.109 -17.866 1.00 25.00 H new ATOM 0 HA THR A 76 4.993 25.809 -17.371 1.00 25.00 H new ATOM 0 HB THR A 76 3.096 26.369 -19.077 1.00 25.00 H new ATOM 0 HG1 THR A 76 1.576 24.886 -18.675 1.00 25.00 H new ATOM 0 HG21 THR A 76 4.206 25.235 -20.927 1.00 25.00 H new ATOM 0 HG22 THR A 76 5.399 25.851 -19.760 1.00 25.00 H new ATOM 0 HG23 THR A 76 4.996 24.118 -19.789 1.00 25.00 H new ATOM 1115 N GLY A 77 2.705 26.850 -16.531 1.00 25.00 N ATOM 1116 CA GLY A 77 1.476 27.302 -15.872 1.00 25.00 C ATOM 1117 C GLY A 77 0.240 26.769 -16.523 1.00 25.00 C ATOM 1118 O GLY A 77 0.326 26.080 -17.548 1.00 25.00 O ATOM 0 H GLY A 77 3.257 27.607 -16.935 1.00 25.00 H new ATOM 0 HA2 GLY A 77 1.494 26.991 -14.827 1.00 25.00 H new ATOM 0 HA3 GLY A 77 1.444 28.392 -15.880 1.00 25.00 H new ATOM 1122 N GLY A 78 -0.913 27.021 -15.908 1.00 25.00 N ATOM 1123 CA GLY A 78 -2.110 26.347 -16.427 1.00 25.00 C ATOM 1124 C GLY A 78 -2.392 25.146 -15.537 1.00 25.00 C ATOM 1125 O GLY A 78 -1.555 24.715 -14.722 1.00 25.00 O ATOM 0 H GLY A 78 -1.048 27.639 -15.108 1.00 25.00 H new ATOM 0 HA2 GLY A 78 -2.961 27.028 -16.430 1.00 25.00 H new ATOM 0 HA3 GLY A 78 -1.953 26.030 -17.458 1.00 25.00 H new ATOM 1129 N GLU A 79 -3.599 24.586 -15.621 1.00 25.00 N ATOM 1130 CA GLU A 79 -3.956 23.472 -14.766 1.00 25.00 C ATOM 1131 C GLU A 79 -3.356 22.201 -15.329 1.00 25.00 C ATOM 1132 O GLU A 79 -3.078 22.052 -16.535 1.00 25.00 O ATOM 1133 CB GLU A 79 -5.463 23.232 -14.568 1.00 25.00 C ATOM 1134 CG GLU A 79 -6.344 22.746 -15.779 1.00 25.00 C ATOM 1135 CD GLU A 79 -7.766 22.402 -15.355 1.00 25.00 C ATOM 1136 OE1 GLU A 79 -8.744 23.057 -15.767 1.00 25.00 O ATOM 1137 OE2 GLU A 79 -7.926 21.427 -14.547 1.00 25.00 O1- ATOM 0 H GLU A 79 -4.331 24.885 -16.265 1.00 25.00 H new ATOM 0 HA GLU A 79 -3.560 23.738 -13.786 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -5.573 22.497 -13.770 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -5.896 24.164 -14.205 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -6.372 23.525 -16.541 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -5.881 21.871 -16.235 1.00 25.00 H new ATOM 1144 N HIS A 80 -3.145 21.229 -14.460 1.00 25.00 N ATOM 1145 CA HIS A 80 -2.623 19.922 -14.825 1.00 25.00 C ATOM 1146 C HIS A 80 -3.355 18.965 -13.843 1.00 25.00 C ATOM 1147 O HIS A 80 -3.909 19.359 -12.806 1.00 25.00 O ATOM 1148 CB HIS A 80 -1.083 19.885 -14.524 1.00 25.00 C ATOM 1149 CG HIS A 80 -0.315 20.772 -15.426 1.00 25.00 C ATOM 1150 ND1 HIS A 80 -0.168 20.639 -16.790 1.00 25.00 N ATOM 1151 CD2 HIS A 80 0.395 21.929 -15.100 1.00 25.00 C ATOM 1152 CE1 HIS A 80 0.423 21.730 -17.289 1.00 25.00 C ATOM 1153 NE2 HIS A 80 0.834 22.491 -16.281 1.00 25.00 N ATOM 0 H HIS A 80 -3.335 21.326 -13.463 1.00 25.00 H new ATOM 0 HA HIS A 80 -2.771 19.668 -15.875 1.00 25.00 H new ATOM 0 HB2 HIS A 80 -0.909 20.183 -13.490 1.00 25.00 H new ATOM 0 HB3 HIS A 80 -0.719 18.863 -14.626 1.00 25.00 H new ATOM 0 HD2 HIS A 80 0.569 22.314 -14.106 1.00 25.00 H new ATOM 0 HE1 HIS A 80 0.546 21.955 -18.338 1.00 25.00 H new ATOM 0 HE2 HIS A 80 1.382 23.347 -16.366 1.00 25.00 H new ATOM 1161 N THR A 81 -3.333 17.720 -14.270 1.00 25.00 N ATOM 1162 CA THR A 81 -4.120 16.658 -13.622 1.00 25.00 C ATOM 1163 C THR A 81 -3.091 15.626 -13.320 1.00 25.00 C ATOM 1164 O THR A 81 -2.352 15.158 -14.224 1.00 25.00 O ATOM 1165 CB THR A 81 -5.223 16.069 -14.570 1.00 25.00 C ATOM 1166 OG1 THR A 81 -6.028 17.190 -14.884 1.00 25.00 O ATOM 1167 CG2 THR A 81 -6.090 15.175 -13.811 1.00 25.00 C ATOM 0 H THR A 81 -2.780 17.404 -15.066 1.00 25.00 H new ATOM 0 HA THR A 81 -4.663 17.019 -12.748 1.00 25.00 H new ATOM 0 HB THR A 81 -4.789 15.546 -15.422 1.00 25.00 H new ATOM 0 HG1 THR A 81 -6.538 17.008 -15.701 1.00 25.00 H new ATOM 0 HG21 THR A 81 -6.856 14.766 -14.469 1.00 25.00 H new ATOM 0 HG22 THR A 81 -5.497 14.361 -13.394 1.00 25.00 H new ATOM 0 HG23 THR A 81 -6.565 15.729 -13.002 1.00 25.00 H new ATOM 1175 N PHE A 82 -3.088 15.166 -12.121 1.00 25.00 N ATOM 1176 CA PHE A 82 -2.024 14.375 -11.489 1.00 25.00 C ATOM 1177 C PHE A 82 -2.738 13.125 -11.130 1.00 25.00 C ATOM 1178 O PHE A 82 -3.719 13.206 -10.405 1.00 25.00 O ATOM 1179 CB PHE A 82 -1.519 15.159 -10.221 1.00 25.00 C ATOM 1180 CG PHE A 82 -0.907 16.493 -10.521 1.00 25.00 C ATOM 1181 CD1 PHE A 82 0.485 16.566 -10.671 1.00 50.00 C ATOM 1182 CD2 PHE A 82 -1.648 17.664 -10.529 1.00 50.00 C ATOM 1183 CE1 PHE A 82 1.137 17.807 -10.820 1.00 25.00 C ATOM 1184 CE2 PHE A 82 -1.016 18.874 -10.692 1.00 25.00 C ATOM 1185 CZ PHE A 82 0.400 18.943 -10.824 1.00 25.00 C ATOM 0 H PHE A 82 -3.871 15.328 -11.488 1.00 25.00 H new ATOM 0 HA PHE A 82 -1.144 14.182 -12.103 1.00 25.00 H new ATOM 0 HB2 PHE A 82 -2.358 15.303 -9.540 1.00 25.00 H new ATOM 0 HB3 PHE A 82 -0.785 14.546 -9.698 1.00 25.00 H new ATOM 0 HD1 PHE A 82 1.067 15.657 -10.672 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -2.720 17.626 -10.407 1.00 50.00 H new ATOM 0 HE1 PHE A 82 2.211 17.851 -10.930 1.00 25.00 H new ATOM 0 HE2 PHE A 82 -1.600 19.782 -10.720 1.00 25.00 H new ATOM 0 HZ PHE A 82 0.886 19.902 -10.927 1.00 25.00 H new ATOM 1195 N THR A 83 -2.308 12.008 -11.740 1.00 25.00 N ATOM 1196 CA THR A 83 -3.080 10.750 -11.700 1.00 25.00 C ATOM 1197 C THR A 83 -2.173 9.825 -10.940 1.00 25.00 C ATOM 1198 O THR A 83 -0.982 9.654 -11.280 1.00 25.00 O ATOM 1199 CB THR A 83 -3.376 10.203 -13.138 1.00 25.00 C ATOM 1200 OG1 THR A 83 -4.046 11.217 -13.864 1.00 25.00 O ATOM 1201 CG2 THR A 83 -4.262 8.968 -13.061 1.00 25.00 C ATOM 0 H THR A 83 -1.435 11.948 -12.264 1.00 25.00 H new ATOM 0 HA THR A 83 -4.061 10.868 -11.241 1.00 25.00 H new ATOM 0 HB THR A 83 -2.442 9.929 -13.629 1.00 25.00 H new ATOM 0 HG1 THR A 83 -4.852 11.489 -13.378 1.00 25.00 H new ATOM 0 HG21 THR A 83 -4.460 8.599 -14.067 1.00 25.00 H new ATOM 0 HG22 THR A 83 -3.758 8.194 -12.483 1.00 25.00 H new ATOM 0 HG23 THR A 83 -5.204 9.226 -12.578 1.00 25.00 H new ATOM 1209 N TRP A 84 -2.786 9.186 -9.994 1.00 25.00 N ATOM 1210 CA TRP A 84 -2.093 8.283 -9.086 1.00 25.00 C ATOM 1211 C TRP A 84 -2.759 6.927 -9.324 1.00 25.00 C ATOM 1212 O TRP A 84 -3.906 6.909 -9.706 1.00 25.00 O ATOM 1213 CB TRP A 84 -2.189 8.785 -7.646 1.00 25.00 C ATOM 1214 CG TRP A 84 -1.821 10.235 -7.624 1.00 25.00 C ATOM 1215 CD1 TRP A 84 -0.771 10.794 -8.264 1.00 25.00 C ATOM 1216 CD2 TRP A 84 -2.560 11.335 -7.071 1.00 25.00 C ATOM 1217 NE1 TRP A 84 -0.729 12.132 -8.057 1.00 25.00 N ATOM 1218 CE2 TRP A 84 -1.773 12.542 -7.266 1.00 25.00 C ATOM 1219 CE3 TRP A 84 -3.809 11.501 -6.409 1.00 25.00 C ATOM 1220 CZ2 TRP A 84 -2.181 13.822 -6.826 1.00 25.00 C ATOM 1221 CZ3 TRP A 84 -4.234 12.773 -6.000 1.00 25.00 C ATOM 1222 CH2 TRP A 84 -3.412 13.914 -6.204 1.00 25.00 C ATOM 0 H TRP A 84 -3.787 9.266 -9.816 1.00 25.00 H new ATOM 0 HA TRP A 84 -1.020 8.215 -9.266 1.00 25.00 H new ATOM 0 HB2 TRP A 84 -3.200 8.645 -7.262 1.00 25.00 H new ATOM 0 HB3 TRP A 84 -1.521 8.215 -7.001 1.00 25.00 H new ATOM 0 HD1 TRP A 84 -0.058 10.246 -8.862 1.00 25.00 H new ATOM 0 HE1 TRP A 84 -0.016 12.753 -8.439 1.00 25.00 H new ATOM 0 HE3 TRP A 84 -4.434 10.641 -6.220 1.00 25.00 H new ATOM 0 HZ2 TRP A 84 -1.557 14.692 -6.970 1.00 25.00 H new ATOM 0 HZ3 TRP A 84 -5.197 12.887 -5.525 1.00 25.00 H new ATOM 0 HH2 TRP A 84 -3.758 14.879 -5.864 1.00 25.00 H new ATOM 1233 N THR A 85 -2.036 5.827 -9.083 1.00 25.00 N ATOM 1234 CA THR A 85 -2.490 4.501 -9.264 1.00 25.00 C ATOM 1235 C THR A 85 -1.876 3.653 -8.145 1.00 25.00 C ATOM 1236 O THR A 85 -0.804 3.991 -7.719 1.00 25.00 O ATOM 1237 CB THR A 85 -2.211 4.030 -10.703 1.00 25.00 C ATOM 1238 OG1 THR A 85 -2.686 2.672 -10.792 1.00 25.00 O ATOM 1239 CG2 THR A 85 -0.776 4.052 -11.005 1.00 25.00 C ATOM 0 H THR A 85 -1.076 5.872 -8.741 1.00 25.00 H new ATOM 0 HA THR A 85 -3.572 4.406 -9.173 1.00 25.00 H new ATOM 0 HB THR A 85 -2.709 4.691 -11.413 1.00 25.00 H new ATOM 0 HG1 THR A 85 -2.530 2.329 -11.697 1.00 25.00 H new ATOM 0 HG21 THR A 85 -0.614 3.714 -12.028 1.00 25.00 H new ATOM 0 HG22 THR A 85 -0.396 5.068 -10.894 1.00 25.00 H new ATOM 0 HG23 THR A 85 -0.249 3.391 -10.317 1.00 25.00 H new ATOM 1247 N TYR A 86 -2.627 2.644 -7.738 1.00 25.00 N ATOM 1248 CA TYR A 86 -2.135 1.692 -6.731 1.00 25.00 C ATOM 1249 C TYR A 86 -2.380 0.210 -7.105 1.00 25.00 C ATOM 1250 O TYR A 86 -3.500 -0.121 -7.594 1.00 25.00 O ATOM 1251 CB TYR A 86 -2.954 2.058 -5.503 1.00 25.00 C ATOM 1252 CG TYR A 86 -2.598 3.332 -4.771 1.00 25.00 C ATOM 1253 CD1 TYR A 86 -3.141 4.547 -5.165 1.00 50.00 C ATOM 1254 CD2 TYR A 86 -1.858 3.322 -3.572 1.00 50.00 C ATOM 1255 CE1 TYR A 86 -2.976 5.716 -4.420 1.00 25.00 C ATOM 1256 CE2 TYR A 86 -1.653 4.515 -2.879 1.00 25.00 C ATOM 1257 CZ TYR A 86 -2.225 5.704 -3.237 1.00 25.00 C ATOM 1258 OH TYR A 86 -1.967 6.827 -2.531 1.00 25.00 O ATOM 0 H TYR A 86 -3.570 2.456 -8.078 1.00 25.00 H new ATOM 0 HA TYR A 86 -1.055 1.765 -6.606 1.00 25.00 H new ATOM 0 HB2 TYR A 86 -3.999 2.127 -5.806 1.00 25.00 H new ATOM 0 HB3 TYR A 86 -2.881 1.233 -4.794 1.00 25.00 H new ATOM 0 HD1 TYR A 86 -3.712 4.590 -6.081 1.00 50.00 H new ATOM 0 HD2 TYR A 86 -1.452 2.396 -3.192 1.00 50.00 H new ATOM 0 HE1 TYR A 86 -3.430 6.636 -4.758 1.00 25.00 H new ATOM 0 HE2 TYR A 86 -1.008 4.499 -2.013 1.00 25.00 H new ATOM 0 HH TYR A 86 -2.780 7.115 -2.066 1.00 25.00 H new ATOM 1268 N THR A 87 -1.483 -0.683 -6.706 1.00 25.00 N ATOM 1269 CA THR A 87 -1.756 -2.091 -6.990 1.00 25.00 C ATOM 1270 C THR A 87 -2.883 -2.745 -6.175 1.00 25.00 C ATOM 1271 O THR A 87 -3.503 -3.710 -6.617 1.00 25.00 O ATOM 1272 CB THR A 87 -0.443 -2.986 -6.932 1.00 25.00 C ATOM 1273 OG1 THR A 87 -0.735 -4.310 -7.301 1.00 25.00 O ATOM 1274 CG2 THR A 87 0.111 -2.998 -5.464 1.00 25.00 C ATOM 0 H THR A 87 -0.612 -0.481 -6.215 1.00 25.00 H new ATOM 0 HA THR A 87 -2.131 -2.057 -8.013 1.00 25.00 H new ATOM 0 HB THR A 87 0.292 -2.568 -7.620 1.00 25.00 H new ATOM 0 HG1 THR A 87 0.083 -4.848 -7.262 1.00 25.00 H new ATOM 0 HG21 THR A 87 1.011 -3.611 -5.420 1.00 25.00 H new ATOM 0 HG22 THR A 87 0.350 -1.980 -5.157 1.00 25.00 H new ATOM 0 HG23 THR A 87 -0.643 -3.412 -4.794 1.00 25.00 H new ATOM 1282 N ALA A 88 -3.209 -2.127 -5.006 1.00 25.00 N ATOM 1283 CA ALA A 88 -4.321 -2.570 -4.130 1.00 25.00 C ATOM 1284 C ALA A 88 -5.213 -1.382 -3.638 1.00 25.00 C ATOM 1285 O ALA A 88 -4.730 -0.271 -3.358 1.00 25.00 O ATOM 1286 CB ALA A 88 -3.709 -3.455 -2.966 1.00 25.00 C ATOM 0 H ALA A 88 -2.709 -1.313 -4.650 1.00 25.00 H new ATOM 0 HA ALA A 88 -5.020 -3.187 -4.696 1.00 25.00 H new ATOM 0 HB1 ALA A 88 -4.509 -3.793 -2.307 1.00 25.00 H new ATOM 0 HB2 ALA A 88 -3.202 -4.319 -3.394 1.00 25.00 H new ATOM 0 HB3 ALA A 88 -2.995 -2.862 -2.395 1.00 25.00 H new ATOM 1292 N PRO A 89 -6.528 -1.629 -3.482 1.00 25.00 N ATOM 1293 CA PRO A 89 -7.217 -0.533 -2.781 1.00 25.00 C ATOM 1294 C PRO A 89 -6.804 -0.444 -1.354 1.00 25.00 C ATOM 1295 O PRO A 89 -6.348 -1.436 -0.745 1.00 25.00 O ATOM 1296 CB PRO A 89 -8.655 -0.916 -2.798 1.00 25.00 C ATOM 1297 CG PRO A 89 -8.766 -1.908 -3.953 1.00 25.00 C ATOM 1298 CD PRO A 89 -7.458 -2.702 -3.762 1.00 25.00 C ATOM 0 HA PRO A 89 -6.993 0.421 -3.258 1.00 25.00 H new ATOM 0 HB2 PRO A 89 -8.957 -1.369 -1.854 1.00 25.00 H new ATOM 0 HB3 PRO A 89 -9.296 -0.049 -2.955 1.00 25.00 H new ATOM 0 HG2 PRO A 89 -9.651 -2.540 -3.874 1.00 25.00 H new ATOM 0 HG3 PRO A 89 -8.813 -1.413 -4.923 1.00 25.00 H new ATOM 0 HD2 PRO A 89 -7.524 -3.416 -2.941 1.00 25.00 H new ATOM 0 HD3 PRO A 89 -7.183 -3.265 -4.653 1.00 25.00 H new ATOM 1306 N HIS A 90 -7.040 0.711 -0.754 1.00 25.00 N ATOM 1307 CA HIS A 90 -6.840 0.976 0.672 1.00 25.00 C ATOM 1308 C HIS A 90 -8.022 1.725 1.225 1.00 25.00 C ATOM 1309 O HIS A 90 -8.747 2.413 0.487 1.00 25.00 O ATOM 1310 CB HIS A 90 -5.571 1.829 0.876 1.00 0.00 C ATOM 1311 CG HIS A 90 -4.303 0.986 0.904 1.00 0.00 C ATOM 1312 ND1 HIS A 90 -4.042 0.003 1.833 1.00 0.00 N ATOM 1313 CD2 HIS A 90 -3.238 0.981 0.086 1.00 0.00 C ATOM 1314 CE1 HIS A 90 -2.876 -0.522 1.541 1.00 0.00 C ATOM 1315 NE2 HIS A 90 -2.274 0.143 0.603 1.00 0.00 N ATOM 0 H HIS A 90 -7.389 1.524 -1.261 1.00 25.00 H new ATOM 0 HA HIS A 90 -6.731 0.024 1.191 1.00 25.00 H new ATOM 0 HB2 HIS A 90 -5.498 2.564 0.074 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -5.656 2.384 1.810 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -4.647 -0.268 2.608 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -3.151 1.544 -0.831 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -2.468 -1.399 2.021 1.00 0.00 H new ATOM 1323 N ASN A 91 -8.251 1.609 2.520 1.00 25.00 N ATOM 1324 CA ASN A 91 -9.285 2.298 3.236 1.00 25.00 C ATOM 1325 C ASN A 91 -8.899 3.764 3.283 1.00 25.00 C ATOM 1326 O ASN A 91 -7.753 4.102 3.252 1.00 25.00 O ATOM 1327 CB ASN A 91 -9.326 1.751 4.693 1.00 25.00 C ATOM 1328 CG ASN A 91 -10.145 2.576 5.667 1.00 25.00 C ATOM 1329 OD1 ASN A 91 -9.617 3.463 6.339 1.00 25.00 O ATOM 1330 ND2 ASN A 91 -11.398 2.227 5.834 1.00 25.00 N ATOM 0 H ASN A 91 -7.691 1.003 3.119 1.00 25.00 H new ATOM 0 HA ASN A 91 -10.255 2.160 2.758 1.00 25.00 H new ATOM 0 HB2 ASN A 91 -9.727 0.737 4.673 1.00 25.00 H new ATOM 0 HB3 ASN A 91 -8.305 1.683 5.068 1.00 25.00 H new ATOM 0 HD21 ASN A 91 -11.968 2.695 6.539 1.00 25.00 H new ATOM 0 HD22 ASN A 91 -11.802 1.488 5.259 1.00 25.00 H new ATOM 1337 N THR A 92 -9.932 4.614 3.432 1.00 25.00 N ATOM 1338 CA THR A 92 -9.620 6.022 3.641 1.00 25.00 C ATOM 1339 C THR A 92 -10.577 6.637 4.682 1.00 25.00 C ATOM 1340 O THR A 92 -11.671 6.154 4.859 1.00 25.00 O ATOM 1341 CB THR A 92 -9.943 6.797 2.366 1.00 25.00 C ATOM 1342 OG1 THR A 92 -9.337 6.070 1.304 1.00 25.00 O ATOM 1343 CG2 THR A 92 -9.347 8.278 2.332 1.00 25.00 C ATOM 0 H THR A 92 -10.921 4.367 3.413 1.00 25.00 H new ATOM 0 HA THR A 92 -8.575 6.082 3.944 1.00 25.00 H new ATOM 0 HB THR A 92 -11.026 6.895 2.294 1.00 25.00 H new ATOM 0 HG1 THR A 92 -8.364 6.176 1.348 1.00 25.00 H new ATOM 0 HG21 THR A 92 -9.622 8.759 1.393 1.00 25.00 H new ATOM 0 HG22 THR A 92 -9.751 8.852 3.166 1.00 25.00 H new ATOM 0 HG23 THR A 92 -8.261 8.235 2.413 1.00 25.00 H new ATOM 1351 N SER A 93 -10.152 7.655 5.434 1.00 25.00 N ATOM 1352 CA SER A 93 -11.112 8.501 6.184 1.00 25.00 C ATOM 1353 C SER A 93 -11.120 9.868 5.606 1.00 25.00 C ATOM 1354 O SER A 93 -12.184 10.459 5.409 1.00 25.00 O ATOM 1355 CB SER A 93 -10.637 8.544 7.607 1.00 25.00 C ATOM 1356 OG SER A 93 -9.254 8.857 7.519 1.00 25.00 O ATOM 0 H SER A 93 -9.173 7.918 5.546 1.00 25.00 H new ATOM 0 HA SER A 93 -12.124 8.100 6.128 1.00 25.00 H new ATOM 0 HB2 SER A 93 -11.177 9.297 8.182 1.00 25.00 H new ATOM 0 HB3 SER A 93 -10.795 7.588 8.106 1.00 25.00 H new ATOM 0 HG SER A 93 -8.871 8.904 8.420 1.00 25.00 H new ATOM 1362 N GLN A 94 -9.976 10.425 5.196 1.00 25.00 N ATOM 1363 CA GLN A 94 -9.926 11.652 4.428 1.00 25.00 C ATOM 1364 C GLN A 94 -8.673 11.528 3.596 1.00 25.00 C ATOM 1365 O GLN A 94 -7.709 10.931 4.032 1.00 25.00 O ATOM 1366 CB GLN A 94 -9.958 12.871 5.349 1.00 25.00 C ATOM 1367 CG GLN A 94 -10.224 14.181 4.634 1.00 25.00 C ATOM 1368 CD GLN A 94 -10.366 15.384 5.576 1.00 25.00 C ATOM 1369 OE1 GLN A 94 -11.354 15.336 6.401 1.00 25.00 O flip ATOM 1370 NE2 GLN A 94 -9.572 16.314 5.540 1.00 25.00 N flip ATOM 0 H GLN A 94 -9.058 10.027 5.394 1.00 25.00 H new ATOM 0 HA GLN A 94 -10.790 11.799 3.780 1.00 25.00 H new ATOM 0 HB2 GLN A 94 -10.727 12.720 6.107 1.00 25.00 H new ATOM 0 HB3 GLN A 94 -9.005 12.942 5.873 1.00 25.00 H new ATOM 0 HG2 GLN A 94 -9.411 14.374 3.934 1.00 25.00 H new ATOM 0 HG3 GLN A 94 -11.136 14.084 4.044 1.00 25.00 H new ATOM 0 HE21 GLN A 94 -8.806 16.304 4.867 1.00 25.00 H new ATOM 0 HE22 GLN A 94 -9.676 17.099 6.183 1.00 25.00 H new ATOM 1379 N TRP A 95 -8.596 12.210 2.420 1.00 25.00 N ATOM 1380 CA TRP A 95 -7.269 12.473 1.896 1.00 25.00 C ATOM 1381 C TRP A 95 -7.250 13.904 1.319 1.00 25.00 C ATOM 1382 O TRP A 95 -8.297 14.587 1.133 1.00 25.00 O ATOM 1383 CB TRP A 95 -6.817 11.350 0.884 1.00 25.00 C ATOM 1384 CG TRP A 95 -7.620 11.253 -0.423 1.00 25.00 C ATOM 1385 CD1 TRP A 95 -8.943 11.172 -0.554 1.00 25.00 C ATOM 1386 CD2 TRP A 95 -7.075 11.080 -1.754 1.00 25.00 C ATOM 1387 NE1 TRP A 95 -9.339 10.984 -1.842 1.00 25.00 N ATOM 1388 CE2 TRP A 95 -8.207 10.899 -2.607 1.00 25.00 C ATOM 1389 CE3 TRP A 95 -5.776 10.975 -2.305 1.00 25.00 C ATOM 1390 CZ2 TRP A 95 -8.060 10.722 -4.003 1.00 25.00 C ATOM 1391 CZ3 TRP A 95 -5.652 10.827 -3.653 1.00 25.00 C ATOM 1392 CH2 TRP A 95 -6.778 10.683 -4.522 1.00 25.00 C ATOM 0 H TRP A 95 -9.382 12.556 1.869 1.00 25.00 H new ATOM 0 HA TRP A 95 -6.522 12.431 2.689 1.00 25.00 H new ATOM 0 HB2 TRP A 95 -5.770 11.517 0.631 1.00 25.00 H new ATOM 0 HB3 TRP A 95 -6.872 10.388 1.393 1.00 25.00 H new ATOM 0 HD1 TRP A 95 -9.630 11.248 0.276 1.00 25.00 H new ATOM 0 HE1 TRP A 95 -10.301 10.919 -2.176 1.00 25.00 H new ATOM 0 HE3 TRP A 95 -4.903 11.011 -1.671 1.00 25.00 H new ATOM 0 HZ2 TRP A 95 -8.923 10.620 -4.644 1.00 25.00 H new ATOM 0 HZ3 TRP A 95 -4.662 10.818 -4.084 1.00 25.00 H new ATOM 0 HH2 TRP A 95 -6.628 10.544 -5.582 1.00 25.00 H new ATOM 1403 N HIS A 96 -6.068 14.434 1.340 1.00 25.00 N ATOM 1404 CA HIS A 96 -5.804 15.910 1.323 1.00 25.00 C ATOM 1405 C HIS A 96 -4.722 16.223 0.336 1.00 25.00 C ATOM 1406 O HIS A 96 -3.862 15.369 0.057 1.00 25.00 O ATOM 1407 CB HIS A 96 -5.233 16.419 2.625 1.00 25.00 C ATOM 1408 CG HIS A 96 -5.682 15.662 3.818 1.00 25.00 C ATOM 1409 ND1 HIS A 96 -6.719 16.085 4.729 1.00 25.00 N ATOM 1410 CD2 HIS A 96 -5.048 14.641 4.474 1.00 25.00 C ATOM 1411 CE1 HIS A 96 -6.679 15.283 5.816 1.00 25.00 C ATOM 1412 NE2 HIS A 96 -5.727 14.379 5.646 1.00 25.00 N ATOM 0 H HIS A 96 -5.216 13.875 1.370 1.00 25.00 H new ATOM 0 HA HIS A 96 -6.768 16.367 1.099 1.00 25.00 H new ATOM 0 HB2 HIS A 96 -4.145 16.381 2.572 1.00 25.00 H new ATOM 0 HB3 HIS A 96 -5.510 17.466 2.747 1.00 25.00 H new ATOM 0 HD2 HIS A 96 -4.163 14.126 4.131 1.00 25.00 H new ATOM 0 HE1 HIS A 96 -7.319 15.366 6.682 1.00 25.00 H new ATOM 0 HE2 HIS A 96 -5.527 13.608 6.283 1.00 25.00 H new ATOM 1420 N TYR A 97 -4.697 17.453 -0.199 1.00 25.00 N ATOM 1421 CA TYR A 97 -3.606 17.885 -1.080 1.00 25.00 C ATOM 1422 C TYR A 97 -3.167 19.163 -0.406 1.00 25.00 C ATOM 1423 O TYR A 97 -3.983 19.934 0.125 1.00 25.00 O ATOM 1424 CB TYR A 97 -4.232 18.118 -2.467 1.00 25.00 C ATOM 1425 CG TYR A 97 -5.173 16.986 -2.857 1.00 25.00 C ATOM 1426 CD1 TYR A 97 -4.654 15.714 -3.031 1.00 50.00 C ATOM 1427 CD2 TYR A 97 -6.547 17.174 -2.961 1.00 50.00 C ATOM 1428 CE1 TYR A 97 -5.486 14.658 -3.339 1.00 25.00 C ATOM 1429 CE2 TYR A 97 -7.366 16.101 -3.210 1.00 25.00 C ATOM 1430 CZ TYR A 97 -6.844 14.873 -3.336 1.00 25.00 C ATOM 1431 OH TYR A 97 -7.684 13.831 -3.597 1.00 25.00 O ATOM 0 H TYR A 97 -5.415 18.160 -0.038 1.00 25.00 H new ATOM 0 HA TYR A 97 -2.770 17.201 -1.222 1.00 25.00 H new ATOM 0 HB2 TYR A 97 -4.778 19.061 -2.466 1.00 25.00 H new ATOM 0 HB3 TYR A 97 -3.442 18.208 -3.213 1.00 25.00 H new ATOM 0 HD1 TYR A 97 -3.592 15.548 -2.925 1.00 50.00 H new ATOM 0 HD2 TYR A 97 -6.969 18.162 -2.846 1.00 50.00 H new ATOM 0 HE1 TYR A 97 -5.081 13.686 -3.577 1.00 25.00 H new ATOM 0 HE2 TYR A 97 -8.432 16.246 -3.304 1.00 25.00 H new ATOM 0 HH TYR A 97 -7.442 13.067 -3.033 1.00 25.00 H new ATOM 1441 N TYR A 98 -1.867 19.411 -0.513 1.00 25.00 N ATOM 1442 CA TYR A 98 -1.215 20.578 0.075 1.00 25.00 C ATOM 1443 C TYR A 98 -0.192 21.138 -0.925 1.00 25.00 C ATOM 1444 O TYR A 98 0.382 20.412 -1.664 1.00 25.00 O ATOM 1445 CB TYR A 98 -0.440 20.340 1.356 1.00 25.00 C ATOM 1446 CG TYR A 98 -1.220 19.817 2.501 1.00 25.00 C ATOM 1447 CD1 TYR A 98 -1.499 18.471 2.615 1.00 50.00 C ATOM 1448 CD2 TYR A 98 -1.696 20.710 3.518 1.00 50.00 C ATOM 1449 CE1 TYR A 98 -2.241 17.992 3.670 1.00 25.00 C ATOM 1450 CE2 TYR A 98 -2.512 20.198 4.622 1.00 25.00 C ATOM 1451 CZ TYR A 98 -2.787 18.849 4.653 1.00 25.00 C ATOM 1452 OH TYR A 98 -3.502 18.245 5.600 1.00 25.00 O ATOM 0 H TYR A 98 -1.226 18.799 -1.018 1.00 25.00 H new ATOM 0 HA TYR A 98 -2.042 21.248 0.311 1.00 25.00 H new ATOM 0 HB2 TYR A 98 0.368 19.640 1.143 1.00 25.00 H new ATOM 0 HB3 TYR A 98 0.023 21.280 1.657 1.00 25.00 H new ATOM 0 HD1 TYR A 98 -1.130 17.785 1.867 1.00 50.00 H new ATOM 0 HD2 TYR A 98 -1.453 21.761 3.470 1.00 50.00 H new ATOM 0 HE1 TYR A 98 -2.412 16.929 3.750 1.00 25.00 H new ATOM 0 HE2 TYR A 98 -2.887 20.859 5.389 1.00 25.00 H new ATOM 0 HH TYR A 98 -3.837 18.914 6.233 1.00 25.00 H new ATOM 1462 N ILE A 99 0.125 22.420 -0.695 1.00 25.00 N ATOM 1463 CA ILE A 99 1.293 23.019 -1.435 1.00 25.00 C ATOM 1464 C ILE A 99 2.086 23.818 -0.401 1.00 25.00 C ATOM 1465 O ILE A 99 1.445 24.367 0.508 1.00 25.00 O ATOM 1466 CB ILE A 99 0.744 23.946 -2.628 1.00 25.00 C ATOM 1467 CG1 ILE A 99 -0.075 25.235 -2.213 1.00 25.00 C ATOM 1468 CG2 ILE A 99 -0.190 23.094 -3.512 1.00 25.00 C ATOM 1469 CD1 ILE A 99 -0.356 26.165 -3.322 1.00 25.00 C ATOM 0 H ILE A 99 -0.361 23.044 -0.051 1.00 25.00 H new ATOM 0 HA ILE A 99 1.935 22.266 -1.892 1.00 25.00 H new ATOM 0 HB ILE A 99 1.644 24.308 -3.125 1.00 25.00 H new ATOM 0 HG12 ILE A 99 -1.020 24.922 -1.770 1.00 25.00 H new ATOM 0 HG13 ILE A 99 0.478 25.768 -1.440 1.00 25.00 H new ATOM 0 HG21 ILE A 99 -0.574 23.704 -4.329 1.00 25.00 H new ATOM 0 HG22 ILE A 99 0.366 22.250 -3.920 1.00 25.00 H new ATOM 0 HG23 ILE A 99 -1.022 22.725 -2.912 1.00 25.00 H new ATOM 0 HD11 ILE A 99 -0.920 27.019 -2.947 1.00 25.00 H new ATOM 0 HD12 ILE A 99 0.583 26.512 -3.753 1.00 25.00 H new ATOM 0 HD13 ILE A 99 -0.939 25.653 -4.088 1.00 25.00 H new ATOM 1481 N THR A 100 3.397 23.946 -0.553 1.00 25.00 N ATOM 1482 CA THR A 100 4.125 24.952 0.185 1.00 25.00 C ATOM 1483 C THR A 100 3.834 26.257 -0.484 1.00 25.00 C ATOM 1484 O THR A 100 3.750 26.290 -1.701 1.00 25.00 O ATOM 1485 CB THR A 100 5.623 24.594 0.117 1.00 25.00 C ATOM 1486 OG1 THR A 100 6.093 24.408 -1.218 1.00 25.00 O ATOM 1487 CG2 THR A 100 5.931 23.197 0.787 1.00 25.00 C ATOM 0 H THR A 100 3.966 23.371 -1.174 1.00 25.00 H new ATOM 0 HA THR A 100 3.839 25.010 1.235 1.00 25.00 H new ATOM 0 HB THR A 100 6.103 25.434 0.618 1.00 25.00 H new ATOM 0 HG1 THR A 100 6.807 25.053 -1.406 1.00 25.00 H new ATOM 0 HG21 THR A 100 6.998 22.987 0.715 1.00 25.00 H new ATOM 0 HG22 THR A 100 5.636 23.224 1.836 1.00 25.00 H new ATOM 0 HG23 THR A 100 5.372 22.416 0.272 1.00 25.00 H new ATOM 1495 N LYS A 101 3.583 27.319 0.232 1.00 25.00 N ATOM 1496 CA LYS A 101 2.957 28.604 -0.258 1.00 25.00 C ATOM 1497 C LYS A 101 4.014 29.525 -0.821 1.00 25.00 C ATOM 1498 O LYS A 101 4.684 30.209 -0.040 1.00 25.00 O ATOM 1499 CB LYS A 101 2.136 29.270 0.829 1.00 25.00 C ATOM 1500 CG LYS A 101 1.275 30.494 0.264 1.00 25.00 C ATOM 1501 CD LYS A 101 0.374 31.228 1.111 1.00 25.00 C ATOM 1502 CE LYS A 101 1.079 32.083 2.171 1.00 25.00 C ATOM 1503 NZ LYS A 101 0.118 33.135 2.698 1.00 25.00 N1+ ATOM 0 H LYS A 101 3.805 27.355 1.227 1.00 25.00 H new ATOM 0 HA LYS A 101 2.265 28.364 -1.066 1.00 25.00 H new ATOM 0 HB2 LYS A 101 1.469 28.536 1.281 1.00 25.00 H new ATOM 0 HB3 LYS A 101 2.799 29.626 1.617 1.00 25.00 H new ATOM 0 HG2 LYS A 101 1.981 31.215 -0.149 1.00 25.00 H new ATOM 0 HG3 LYS A 101 0.686 30.110 -0.569 1.00 25.00 H new ATOM 0 HD2 LYS A 101 -0.247 31.874 0.491 1.00 25.00 H new ATOM 0 HD3 LYS A 101 -0.294 30.526 1.610 1.00 25.00 H new ATOM 0 HE2 LYS A 101 1.428 31.452 2.989 1.00 25.00 H new ATOM 0 HE3 LYS A 101 1.958 32.562 1.741 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 0.597 33.714 3.417 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 -0.194 33.744 1.915 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 -0.708 32.668 3.124 1.00 25.00 H new ATOM 1517 N LYS A 102 4.212 29.573 -2.111 1.00 25.00 N ATOM 1518 CA LYS A 102 5.238 30.418 -2.739 1.00 25.00 C ATOM 1519 C LYS A 102 5.057 31.922 -2.446 1.00 25.00 C ATOM 1520 O LYS A 102 3.960 32.418 -2.356 1.00 25.00 O ATOM 1521 CB LYS A 102 5.160 30.263 -4.293 1.00 25.00 C ATOM 1522 CG LYS A 102 6.409 30.704 -5.072 1.00 25.00 C ATOM 1523 CD LYS A 102 6.396 30.415 -6.562 1.00 25.00 C ATOM 1524 CE LYS A 102 7.697 30.918 -7.176 1.00 25.00 C ATOM 1525 NZ LYS A 102 7.434 31.601 -8.448 1.00 25.00 N1+ ATOM 0 H LYS A 102 3.668 29.026 -2.779 1.00 25.00 H new ATOM 0 HA LYS A 102 6.190 30.087 -2.324 1.00 25.00 H new ATOM 0 HB2 LYS A 102 4.960 29.217 -4.525 1.00 25.00 H new ATOM 0 HB3 LYS A 102 4.308 30.838 -4.654 1.00 25.00 H new ATOM 0 HG2 LYS A 102 6.542 31.777 -4.931 1.00 25.00 H new ATOM 0 HG3 LYS A 102 7.279 30.214 -4.634 1.00 25.00 H new ATOM 0 HD2 LYS A 102 6.286 29.345 -6.737 1.00 25.00 H new ATOM 0 HD3 LYS A 102 5.543 30.904 -7.033 1.00 25.00 H new ATOM 0 HE2 LYS A 102 8.192 31.601 -6.485 1.00 25.00 H new ATOM 0 HE3 LYS A 102 8.376 30.081 -7.339 1.00 25.00 H new ATOM 0 HZ1 LYS A 102 8.304 31.621 -9.017 1.00 25.00 H new ATOM 0 HZ2 LYS A 102 6.691 31.092 -8.968 1.00 25.00 H new ATOM 0 HZ3 LYS A 102 7.120 32.575 -8.261 1.00 25.00 H new ATOM 1539 N GLY A 103 6.141 32.644 -2.418 1.00 25.00 N ATOM 1540 CA GLY A 103 6.146 34.126 -2.380 1.00 25.00 C ATOM 1541 C GLY A 103 5.826 34.579 -0.981 1.00 25.00 C ATOM 1542 O GLY A 103 5.214 35.629 -0.784 1.00 25.00 O ATOM 0 H GLY A 103 7.076 32.237 -2.420 1.00 25.00 H new ATOM 0 HA2 GLY A 103 7.120 34.508 -2.686 1.00 25.00 H new ATOM 0 HA3 GLY A 103 5.413 34.524 -3.082 1.00 25.00 H new ATOM 1546 N TRP A 104 6.103 33.685 -0.076 1.00 25.00 N ATOM 1547 CA TRP A 104 6.059 33.882 1.338 1.00 25.00 C ATOM 1548 C TRP A 104 6.937 35.062 1.831 1.00 25.00 C ATOM 1549 O TRP A 104 7.889 35.446 1.134 1.00 25.00 O ATOM 1550 CB TRP A 104 6.419 32.551 2.024 1.00 25.00 C ATOM 1551 CG TRP A 104 7.683 31.862 1.566 1.00 25.00 C ATOM 1552 CD1 TRP A 104 8.893 32.457 1.329 1.00 25.00 C ATOM 1553 CD2 TRP A 104 7.972 30.450 1.417 1.00 25.00 C ATOM 1554 NE1 TRP A 104 9.834 31.580 0.925 1.00 25.00 N ATOM 1555 CE2 TRP A 104 9.327 30.320 0.960 1.00 25.00 C ATOM 1556 CE3 TRP A 104 7.188 29.291 1.606 1.00 25.00 C ATOM 1557 CZ2 TRP A 104 9.914 29.046 0.638 1.00 25.00 C ATOM 1558 CZ3 TRP A 104 7.773 28.017 1.393 1.00 25.00 C ATOM 1559 CH2 TRP A 104 9.134 27.885 0.929 1.00 25.00 C ATOM 0 H TRP A 104 6.384 32.737 -0.327 1.00 25.00 H new ATOM 0 HA TRP A 104 5.047 34.176 1.614 1.00 25.00 H new ATOM 0 HB2 TRP A 104 6.502 32.734 3.095 1.00 25.00 H new ATOM 0 HB3 TRP A 104 5.587 31.861 1.882 1.00 25.00 H new ATOM 0 HD1 TRP A 104 9.074 33.515 1.452 1.00 25.00 H new ATOM 0 HE1 TRP A 104 10.781 31.825 0.637 1.00 25.00 H new ATOM 0 HE3 TRP A 104 6.155 29.374 1.909 1.00 25.00 H new ATOM 0 HZ2 TRP A 104 10.897 28.971 0.197 1.00 25.00 H new ATOM 0 HZ3 TRP A 104 7.189 27.128 1.581 1.00 25.00 H new ATOM 0 HH2 TRP A 104 9.565 26.903 0.801 1.00 25.00 H new ATOM 1570 N ASP A 105 6.737 35.465 3.069 1.00 25.00 N ATOM 1571 CA ASP A 105 7.428 36.570 3.669 1.00 25.00 C ATOM 1572 C ASP A 105 7.570 36.127 5.159 1.00 25.00 C ATOM 1573 O ASP A 105 6.577 35.862 5.751 1.00 25.00 O ATOM 1574 CB ASP A 105 6.542 37.812 3.610 1.00 25.00 C ATOM 1575 CG ASP A 105 7.142 39.059 4.308 1.00 25.00 C ATOM 1576 OD1 ASP A 105 6.877 40.230 3.857 1.00 25.00 O ATOM 1577 OD2 ASP A 105 7.949 38.961 5.283 1.00 25.00 O1- ATOM 0 H ASP A 105 6.070 35.016 3.696 1.00 25.00 H new ATOM 0 HA ASP A 105 8.375 36.805 3.183 1.00 25.00 H new ATOM 0 HB2 ASP A 105 6.346 38.054 2.566 1.00 25.00 H new ATOM 0 HB3 ASP A 105 5.581 37.580 4.070 1.00 25.00 H new ATOM 1582 N PRO A 106 8.809 36.073 5.710 1.00 25.00 N ATOM 1583 CA PRO A 106 9.016 35.591 7.086 1.00 25.00 C ATOM 1584 C PRO A 106 8.479 36.507 8.170 1.00 25.00 C ATOM 1585 O PRO A 106 8.199 36.078 9.278 1.00 25.00 O ATOM 1586 CB PRO A 106 10.508 35.464 7.178 1.00 25.00 C ATOM 1587 CG PRO A 106 11.006 36.459 6.289 1.00 25.00 C ATOM 1588 CD PRO A 106 10.126 36.420 5.089 1.00 25.00 C ATOM 0 HA PRO A 106 8.469 34.665 7.260 1.00 25.00 H new ATOM 0 HB2 PRO A 106 10.858 35.631 8.197 1.00 25.00 H new ATOM 0 HB3 PRO A 106 10.840 34.468 6.885 1.00 25.00 H new ATOM 0 HG2 PRO A 106 10.985 37.444 6.756 1.00 25.00 H new ATOM 0 HG3 PRO A 106 12.042 36.256 6.019 1.00 25.00 H new ATOM 0 HD2 PRO A 106 10.097 37.377 4.568 1.00 25.00 H new ATOM 0 HD3 PRO A 106 10.450 35.673 4.365 1.00 25.00 H new ATOM 1596 N ASP A 107 8.154 37.776 7.898 1.00 25.00 N ATOM 1597 CA ASP A 107 7.510 38.701 8.823 1.00 25.00 C ATOM 1598 C ASP A 107 6.006 38.471 9.048 1.00 25.00 C ATOM 1599 O ASP A 107 5.298 39.096 9.834 1.00 25.00 O ATOM 1600 CB ASP A 107 7.657 40.110 8.340 1.00 25.00 C ATOM 1601 CG ASP A 107 7.283 41.078 9.404 1.00 25.00 C ATOM 1602 OD1 ASP A 107 6.706 42.187 9.011 1.00 75.00 O ATOM 1603 OD2 ASP A 107 7.520 40.855 10.586 1.00 75.00 O1- ATOM 0 H ASP A 107 8.342 38.199 6.989 1.00 25.00 H new ATOM 0 HA ASP A 107 8.021 38.517 9.768 1.00 25.00 H new ATOM 0 HB2 ASP A 107 8.687 40.286 8.028 1.00 25.00 H new ATOM 0 HB3 ASP A 107 7.028 40.266 7.464 1.00 25.00 H new ATOM 1608 N LYS A 108 5.565 37.538 8.226 1.00 25.00 N ATOM 1609 CA LYS A 108 4.145 37.157 8.121 1.00 25.00 C ATOM 1610 C LYS A 108 4.204 35.671 8.472 1.00 25.00 C ATOM 1611 O LYS A 108 5.336 35.170 8.356 1.00 25.00 O ATOM 1612 CB LYS A 108 3.652 37.559 6.726 1.00 25.00 C ATOM 1613 CG LYS A 108 3.534 39.048 6.508 1.00 25.00 C ATOM 1614 CD LYS A 108 3.082 39.434 5.076 1.00 25.00 C ATOM 1615 CE LYS A 108 3.109 40.949 4.829 1.00 25.00 C ATOM 1616 NZ LYS A 108 2.262 41.454 3.665 1.00 25.00 N1+ ATOM 0 H LYS A 108 6.176 37.011 7.602 1.00 25.00 H new ATOM 0 HA LYS A 108 3.417 37.640 8.772 1.00 25.00 H new ATOM 0 HB2 LYS A 108 4.334 37.149 5.981 1.00 25.00 H new ATOM 0 HB3 LYS A 108 2.678 37.101 6.553 1.00 25.00 H new ATOM 0 HG2 LYS A 108 2.823 39.456 7.226 1.00 25.00 H new ATOM 0 HG3 LYS A 108 4.498 39.514 6.713 1.00 25.00 H new ATOM 0 HD2 LYS A 108 3.730 38.941 4.351 1.00 25.00 H new ATOM 0 HD3 LYS A 108 2.072 39.061 4.906 1.00 25.00 H new ATOM 0 HE2 LYS A 108 2.777 41.451 5.738 1.00 25.00 H new ATOM 0 HE3 LYS A 108 4.142 41.250 4.658 1.00 25.00 H new ATOM 0 HZ1 LYS A 108 2.355 42.487 3.591 1.00 25.00 H new ATOM 0 HZ2 LYS A 108 2.588 41.013 2.781 1.00 25.00 H new ATOM 0 HZ3 LYS A 108 1.265 41.207 3.828 1.00 25.00 H new ATOM 1630 N PRO A 109 3.079 34.994 8.752 1.00 25.00 N ATOM 1631 CA PRO A 109 2.793 33.627 9.229 1.00 25.00 C ATOM 1632 C PRO A 109 3.557 32.409 8.629 1.00 25.00 C ATOM 1633 O PRO A 109 3.245 31.272 8.973 1.00 25.00 O ATOM 1634 CB PRO A 109 1.330 33.428 8.933 1.00 25.00 C ATOM 1635 CG PRO A 109 0.761 34.695 9.171 1.00 25.00 C ATOM 1636 CD PRO A 109 1.776 35.659 8.643 1.00 25.00 C ATOM 0 HA PRO A 109 3.123 33.613 10.268 1.00 25.00 H new ATOM 0 HB2 PRO A 109 1.171 33.105 7.904 1.00 25.00 H new ATOM 0 HB3 PRO A 109 0.892 32.666 9.577 1.00 25.00 H new ATOM 0 HG2 PRO A 109 -0.195 34.804 8.660 1.00 25.00 H new ATOM 0 HG3 PRO A 109 0.575 34.855 10.233 1.00 25.00 H new ATOM 0 HD2 PRO A 109 1.560 35.921 7.607 1.00 25.00 H new ATOM 0 HD3 PRO A 109 1.765 36.586 9.216 1.00 25.00 H new ATOM 1644 N LEU A 110 4.571 32.585 7.801 1.00 25.00 N ATOM 1645 CA LEU A 110 5.260 31.433 7.144 1.00 25.00 C ATOM 1646 C LEU A 110 5.739 30.264 8.122 1.00 25.00 C ATOM 1647 O LEU A 110 5.712 29.126 7.716 1.00 25.00 O ATOM 1648 CB LEU A 110 6.508 32.012 6.411 1.00 25.00 C ATOM 1649 CG LEU A 110 7.604 31.064 5.829 1.00 25.00 C ATOM 1650 CD1 LEU A 110 6.984 30.078 4.917 1.00 50.00 C ATOM 1651 CD2 LEU A 110 8.835 31.779 5.155 1.00 50.00 C ATOM 0 H LEU A 110 4.951 33.499 7.554 1.00 25.00 H new ATOM 0 HA LEU A 110 4.532 30.965 6.482 1.00 25.00 H new ATOM 0 HB2 LEU A 110 6.140 32.622 5.586 1.00 25.00 H new ATOM 0 HB3 LEU A 110 7.005 32.686 7.108 1.00 25.00 H new ATOM 0 HG LEU A 110 8.039 30.558 6.691 1.00 25.00 H new ATOM 0 HD11 LEU A 110 7.754 29.420 4.515 1.00 50.00 H new ATOM 0 HD12 LEU A 110 6.251 29.486 5.465 1.00 50.00 H new ATOM 0 HD13 LEU A 110 6.489 30.601 4.098 1.00 50.00 H new ATOM 0 HD21 LEU A 110 9.534 31.029 4.785 1.00 50.00 H new ATOM 0 HD22 LEU A 110 8.489 32.393 4.324 1.00 50.00 H new ATOM 0 HD23 LEU A 110 9.335 32.411 5.889 1.00 50.00 H new ATOM 1663 N LYS A 111 6.033 30.411 9.395 1.00 25.00 N ATOM 1664 CA LYS A 111 6.343 29.229 10.223 1.00 25.00 C ATOM 1665 C LYS A 111 5.145 28.442 10.601 1.00 25.00 C ATOM 1666 O LYS A 111 5.241 27.416 11.253 1.00 25.00 O ATOM 1667 CB LYS A 111 7.134 29.647 11.454 1.00 25.00 C ATOM 1668 CG LYS A 111 6.281 30.346 12.485 1.00 25.00 C ATOM 1669 CD LYS A 111 7.152 30.540 13.739 1.00 25.00 C ATOM 1670 CE LYS A 111 6.316 30.994 14.953 1.00 25.00 C ATOM 1671 NZ LYS A 111 7.277 31.416 16.139 1.00 25.00 N1+ ATOM 0 H LYS A 111 6.068 31.305 9.885 1.00 25.00 H new ATOM 0 HA LYS A 111 6.951 28.565 9.609 1.00 25.00 H new ATOM 0 HB2 LYS A 111 7.591 28.766 11.904 1.00 25.00 H new ATOM 0 HB3 LYS A 111 7.946 30.308 11.152 1.00 25.00 H new ATOM 0 HG2 LYS A 111 5.931 31.307 12.107 1.00 25.00 H new ATOM 0 HG3 LYS A 111 5.396 29.753 12.719 1.00 25.00 H new ATOM 0 HD2 LYS A 111 7.660 29.605 13.977 1.00 25.00 H new ATOM 0 HD3 LYS A 111 7.926 31.280 13.533 1.00 25.00 H new ATOM 0 HE2 LYS A 111 5.678 31.833 14.674 1.00 25.00 H new ATOM 0 HE3 LYS A 111 5.658 30.187 15.275 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 6.708 31.721 16.955 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 7.868 30.605 16.413 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 7.887 32.200 15.830 1.00 25.00 H new ATOM 1685 N ARG A 112 3.963 28.897 10.213 1.00 25.00 N ATOM 1686 CA ARG A 112 2.771 28.057 10.395 1.00 25.00 C ATOM 1687 C ARG A 112 1.988 27.860 9.182 1.00 25.00 C ATOM 1688 O ARG A 112 1.662 26.724 8.847 1.00 25.00 O ATOM 1689 CB ARG A 112 1.850 28.742 11.344 1.00 25.00 C ATOM 1690 CG ARG A 112 2.425 29.167 12.706 1.00 25.00 C ATOM 1691 CD ARG A 112 1.328 29.643 13.685 1.00 25.00 C ATOM 1692 NE ARG A 112 1.960 30.139 14.919 1.00 25.00 N ATOM 1693 CZ ARG A 112 2.476 29.479 15.939 1.00 25.00 C ATOM 1694 NH1 ARG A 112 2.560 28.195 15.946 1.00 25.00 N1+ ATOM 1695 NH2 ARG A 112 3.010 30.176 16.935 1.00 25.00 N ATOM 0 H ARG A 112 3.797 29.808 9.785 1.00 25.00 H new ATOM 0 HA ARG A 112 3.142 27.092 10.739 1.00 25.00 H new ATOM 0 HB2 ARG A 112 1.459 29.632 10.851 1.00 25.00 H new ATOM 0 HB3 ARG A 112 1.003 28.081 11.527 1.00 25.00 H new ATOM 0 HG2 ARG A 112 2.964 28.329 13.148 1.00 25.00 H new ATOM 0 HG3 ARG A 112 3.149 29.968 12.558 1.00 25.00 H new ATOM 0 HD2 ARG A 112 0.732 30.431 13.226 1.00 25.00 H new ATOM 0 HD3 ARG A 112 0.649 28.822 13.915 1.00 25.00 H new ATOM 0 HE ARG A 112 2.006 31.155 14.998 1.00 25.00 H new ATOM 0 HH11 ARG A 112 2.222 27.657 15.148 1.00 25.00 H new ATOM 0 HH12 ARG A 112 2.964 27.715 16.750 1.00 25.00 H new ATOM 0 HH21 ARG A 112 3.014 31.195 16.899 1.00 25.00 H new ATOM 0 HH22 ARG A 112 3.416 29.692 17.736 1.00 25.00 H new ATOM 1709 N ALA A 113 1.821 28.982 8.511 1.00 25.00 N ATOM 1710 CA ALA A 113 1.208 28.987 7.180 1.00 25.00 C ATOM 1711 C ALA A 113 2.187 28.626 6.110 1.00 25.00 C ATOM 1712 O ALA A 113 2.210 29.150 5.038 1.00 25.00 O ATOM 1713 CB ALA A 113 0.678 30.375 6.974 1.00 25.00 C ATOM 0 H ALA A 113 2.096 29.902 8.855 1.00 25.00 H new ATOM 0 HA ALA A 113 0.417 28.240 7.120 1.00 25.00 H new ATOM 0 HB1 ALA A 113 0.206 30.443 5.994 1.00 25.00 H new ATOM 0 HB2 ALA A 113 -0.057 30.602 7.746 1.00 25.00 H new ATOM 0 HB3 ALA A 113 1.499 31.090 7.032 1.00 25.00 H new ATOM 1719 N ASP A 114 3.135 27.773 6.470 1.00 25.00 N ATOM 1720 CA ASP A 114 4.096 27.258 5.453 1.00 25.00 C ATOM 1721 C ASP A 114 3.428 26.468 4.353 1.00 25.00 C ATOM 1722 O ASP A 114 3.765 26.523 3.173 1.00 25.00 O ATOM 1723 CB ASP A 114 5.092 26.292 6.094 1.00 25.00 C ATOM 1724 CG ASP A 114 6.183 25.869 5.194 1.00 25.00 C ATOM 1725 OD1 ASP A 114 6.104 24.772 4.601 1.00 25.00 O ATOM 1726 OD2 ASP A 114 7.172 26.621 5.081 1.00 25.00 O1- ATOM 0 H ASP A 114 3.274 27.422 7.417 1.00 25.00 H new ATOM 0 HA ASP A 114 4.574 28.148 5.043 1.00 25.00 H new ATOM 0 HB2 ASP A 114 5.525 26.765 6.976 1.00 25.00 H new ATOM 0 HB3 ASP A 114 4.555 25.408 6.438 1.00 25.00 H new ATOM 1731 N PHE A 115 2.360 25.774 4.695 1.00 25.00 N ATOM 1732 CA PHE A 115 1.501 25.015 3.776 1.00 25.00 C ATOM 1733 C PHE A 115 0.272 25.897 3.634 1.00 25.00 C ATOM 1734 O PHE A 115 -0.238 26.543 4.547 1.00 25.00 O ATOM 1735 CB PHE A 115 1.070 23.641 4.321 1.00 25.00 C ATOM 1736 CG PHE A 115 2.162 22.602 4.436 1.00 25.00 C ATOM 1737 CD1 PHE A 115 2.289 21.909 5.647 1.00 50.00 C ATOM 1738 CD2 PHE A 115 2.990 22.311 3.383 1.00 50.00 C ATOM 1739 CE1 PHE A 115 3.242 20.872 5.773 1.00 25.00 C ATOM 1740 CE2 PHE A 115 3.999 21.298 3.527 1.00 25.00 C ATOM 1741 CZ PHE A 115 4.107 20.573 4.693 1.00 25.00 C ATOM 0 H PHE A 115 2.044 25.714 5.663 1.00 25.00 H new ATOM 0 HA PHE A 115 2.029 24.800 2.847 1.00 25.00 H new ATOM 0 HB2 PHE A 115 0.628 23.786 5.307 1.00 25.00 H new ATOM 0 HB3 PHE A 115 0.286 23.246 3.675 1.00 25.00 H new ATOM 0 HD1 PHE A 115 1.658 22.167 6.485 1.00 50.00 H new ATOM 0 HD2 PHE A 115 2.884 22.841 2.448 1.00 50.00 H new ATOM 0 HE1 PHE A 115 3.310 20.309 6.692 1.00 25.00 H new ATOM 0 HE2 PHE A 115 4.680 21.103 2.712 1.00 25.00 H new ATOM 0 HZ PHE A 115 4.842 19.787 4.782 1.00 25.00 H new ATOM 1751 N GLU A 116 -0.383 25.673 2.530 1.00 25.00 N ATOM 1752 CA GLU A 116 -1.828 25.881 2.356 1.00 25.00 C ATOM 1753 C GLU A 116 -2.352 24.460 2.113 1.00 25.00 C ATOM 1754 O GLU A 116 -1.674 23.666 1.390 1.00 25.00 O ATOM 1755 CB GLU A 116 -2.043 26.754 1.076 1.00 25.00 C ATOM 1756 CG GLU A 116 -1.870 28.232 1.348 1.00 25.00 C ATOM 1757 CD GLU A 116 -2.954 28.710 2.340 1.00 25.00 C ATOM 1758 OE1 GLU A 116 -2.578 29.216 3.367 1.00 25.00 O ATOM 1759 OE2 GLU A 116 -4.205 28.606 2.147 1.00 25.00 O1- ATOM 0 H GLU A 116 0.073 25.328 1.685 1.00 25.00 H new ATOM 0 HA GLU A 116 -2.319 26.378 3.193 1.00 25.00 H new ATOM 0 HB2 GLU A 116 -1.337 26.444 0.306 1.00 25.00 H new ATOM 0 HB3 GLU A 116 -3.043 26.575 0.682 1.00 25.00 H new ATOM 0 HG2 GLU A 116 -0.878 28.422 1.759 1.00 25.00 H new ATOM 0 HG3 GLU A 116 -1.943 28.794 0.417 1.00 25.00 H new ATOM 1766 N LEU A 117 -3.482 24.098 2.684 1.00 25.00 N ATOM 1767 CA LEU A 117 -4.398 23.042 2.177 1.00 25.00 C ATOM 1768 C LEU A 117 -5.020 23.549 0.952 1.00 25.00 C ATOM 1769 O LEU A 117 -5.769 24.520 1.002 1.00 25.00 O ATOM 1770 CB LEU A 117 -5.507 22.799 3.159 1.00 25.00 C ATOM 1771 CG LEU A 117 -6.565 21.733 2.808 1.00 25.00 C ATOM 1772 CD1 LEU A 117 -5.959 20.367 3.155 1.00 50.00 C ATOM 1773 CD2 LEU A 117 -7.781 21.873 3.664 1.00 50.00 C ATOM 0 H LEU A 117 -3.819 24.532 3.543 1.00 25.00 H new ATOM 0 HA LEU A 117 -3.835 22.123 2.014 1.00 25.00 H new ATOM 0 HB2 LEU A 117 -5.055 22.520 4.111 1.00 25.00 H new ATOM 0 HB3 LEU A 117 -6.026 23.745 3.318 1.00 25.00 H new ATOM 0 HG LEU A 117 -6.838 21.841 1.758 1.00 25.00 H new ATOM 0 HD11 LEU A 117 -6.677 19.581 2.922 1.00 50.00 H new ATOM 0 HD12 LEU A 117 -5.050 20.214 2.573 1.00 50.00 H new ATOM 0 HD13 LEU A 117 -5.719 20.335 4.218 1.00 50.00 H new ATOM 0 HD21 LEU A 117 -8.508 21.107 3.392 1.00 50.00 H new ATOM 0 HD22 LEU A 117 -7.504 21.755 4.712 1.00 50.00 H new ATOM 0 HD23 LEU A 117 -8.220 22.859 3.514 1.00 50.00 H new ATOM 1785 N ILE A 118 -4.633 22.902 -0.169 1.00 25.00 N ATOM 1786 CA ILE A 118 -5.145 23.304 -1.436 1.00 25.00 C ATOM 1787 C ILE A 118 -6.414 22.561 -1.744 1.00 25.00 C ATOM 1788 O ILE A 118 -7.138 23.005 -2.602 1.00 25.00 O ATOM 1789 CB ILE A 118 -4.080 23.252 -2.534 1.00 25.00 C ATOM 1790 CG1 ILE A 118 -4.316 24.153 -3.756 1.00 25.00 C ATOM 1791 CG2 ILE A 118 -3.880 21.859 -3.006 1.00 25.00 C ATOM 1792 CD1 ILE A 118 -4.356 25.609 -3.431 1.00 25.00 C ATOM 0 H ILE A 118 -3.980 22.119 -0.193 1.00 25.00 H new ATOM 0 HA ILE A 118 -5.419 24.358 -1.393 1.00 25.00 H new ATOM 0 HB ILE A 118 -3.191 23.647 -2.042 1.00 25.00 H new ATOM 0 HG12 ILE A 118 -3.526 23.975 -4.486 1.00 25.00 H new ATOM 0 HG13 ILE A 118 -5.256 23.870 -4.229 1.00 25.00 H new ATOM 0 HG21 ILE A 118 -3.119 21.845 -3.786 1.00 25.00 H new ATOM 0 HG22 ILE A 118 -3.557 21.235 -2.173 1.00 25.00 H new ATOM 0 HG23 ILE A 118 -4.817 21.472 -3.406 1.00 25.00 H new ATOM 0 HD11 ILE A 118 -4.526 26.181 -4.343 1.00 25.00 H new ATOM 0 HD12 ILE A 118 -5.164 25.802 -2.726 1.00 25.00 H new ATOM 0 HD13 ILE A 118 -3.407 25.909 -2.986 1.00 25.00 H new ATOM 1804 N GLY A 119 -6.766 21.471 -1.086 1.00 25.00 N ATOM 1805 CA GLY A 119 -8.045 20.854 -1.167 1.00 25.00 C ATOM 1806 C GLY A 119 -8.080 19.607 -0.324 1.00 25.00 C ATOM 1807 O GLY A 119 -7.027 19.172 0.200 1.00 25.00 O ATOM 0 H GLY A 119 -6.128 20.983 -0.457 1.00 25.00 H new ATOM 0 HA2 GLY A 119 -8.814 21.550 -0.831 1.00 25.00 H new ATOM 0 HA3 GLY A 119 -8.271 20.606 -2.204 1.00 25.00 H new ATOM 1811 N ALA A 120 -9.261 19.008 -0.230 1.00 25.00 N ATOM 1812 CA ALA A 120 -9.443 17.748 0.466 1.00 25.00 C ATOM 1813 C ALA A 120 -10.695 17.003 0.090 1.00 25.00 C ATOM 1814 O ALA A 120 -11.681 17.641 -0.239 1.00 25.00 O ATOM 1815 CB ALA A 120 -9.351 17.963 1.987 1.00 25.00 C ATOM 0 H ALA A 120 -10.117 19.385 -0.636 1.00 25.00 H new ATOM 0 HA ALA A 120 -8.628 17.102 0.140 1.00 25.00 H new ATOM 0 HB1 ALA A 120 -9.489 17.010 2.498 1.00 25.00 H new ATOM 0 HB2 ALA A 120 -8.372 18.371 2.238 1.00 25.00 H new ATOM 0 HB3 ALA A 120 -10.127 18.660 2.303 1.00 25.00 H new ATOM 1821 N VAL A 121 -10.663 15.656 0.110 1.00 25.00 N ATOM 1822 CA VAL A 121 -11.764 14.757 -0.256 1.00 25.00 C ATOM 1823 C VAL A 121 -11.985 13.704 0.919 1.00 25.00 C ATOM 1824 O VAL A 121 -11.113 12.840 1.219 1.00 25.00 O ATOM 1825 CB VAL A 121 -11.401 14.003 -1.581 1.00 25.00 C ATOM 1826 CG1 VAL A 121 -12.612 13.123 -1.963 1.00 50.00 C ATOM 1827 CG2 VAL A 121 -11.028 15.044 -2.705 1.00 50.00 C ATOM 0 H VAL A 121 -9.827 15.146 0.396 1.00 25.00 H new ATOM 0 HA VAL A 121 -12.678 15.331 -0.409 1.00 25.00 H new ATOM 0 HB VAL A 121 -10.528 13.363 -1.453 1.00 25.00 H new ATOM 0 HG11 VAL A 121 -12.393 12.582 -2.884 1.00 50.00 H new ATOM 0 HG12 VAL A 121 -12.811 12.411 -1.162 1.00 50.00 H new ATOM 0 HG13 VAL A 121 -13.488 13.754 -2.113 1.00 50.00 H new ATOM 0 HG21 VAL A 121 -10.777 14.513 -3.623 1.00 50.00 H new ATOM 0 HG22 VAL A 121 -11.877 15.703 -2.887 1.00 50.00 H new ATOM 0 HG23 VAL A 121 -10.172 15.637 -2.382 1.00 50.00 H new ATOM 1837 N PRO A 122 -13.119 13.843 1.630 1.00 25.00 N ATOM 1838 CA PRO A 122 -13.368 12.855 2.709 1.00 25.00 C ATOM 1839 C PRO A 122 -14.085 11.598 2.315 1.00 25.00 C ATOM 1840 O PRO A 122 -14.687 11.570 1.251 1.00 25.00 O ATOM 1841 CB PRO A 122 -14.221 13.683 3.667 1.00 25.00 C ATOM 1842 CG PRO A 122 -14.995 14.620 2.823 1.00 25.00 C ATOM 1843 CD PRO A 122 -14.112 14.901 1.612 1.00 25.00 C ATOM 0 HA PRO A 122 -12.432 12.456 3.099 1.00 25.00 H new ATOM 0 HB2 PRO A 122 -14.885 13.044 4.249 1.00 25.00 H new ATOM 0 HB3 PRO A 122 -13.596 14.224 4.377 1.00 25.00 H new ATOM 0 HG2 PRO A 122 -15.947 14.182 2.522 1.00 25.00 H new ATOM 0 HG3 PRO A 122 -15.223 15.538 3.364 1.00 25.00 H new ATOM 0 HD2 PRO A 122 -14.690 14.887 0.688 1.00 25.00 H new ATOM 0 HD3 PRO A 122 -13.646 15.884 1.681 1.00 25.00 H new ATOM 1851 N HIS A 123 -14.009 10.541 3.122 1.00 25.00 N ATOM 1852 CA HIS A 123 -14.824 9.350 2.908 1.00 25.00 C ATOM 1853 C HIS A 123 -16.106 9.820 3.451 1.00 25.00 C ATOM 1854 O HIS A 123 -16.238 10.162 4.642 1.00 25.00 O ATOM 1855 CB HIS A 123 -14.318 8.169 3.730 1.00 25.00 C ATOM 1856 CG HIS A 123 -14.854 6.800 3.330 1.00 25.00 C ATOM 1857 ND1 HIS A 123 -16.060 6.220 3.731 1.00 25.00 N ATOM 1858 CD2 HIS A 123 -14.256 5.859 2.541 1.00 25.00 C ATOM 1859 CE1 HIS A 123 -16.229 5.039 3.116 1.00 25.00 C ATOM 1860 NE2 HIS A 123 -15.105 4.776 2.457 1.00 25.00 N ATOM 0 H HIS A 123 -13.390 10.487 3.931 1.00 25.00 H new ATOM 0 HA HIS A 123 -14.842 8.996 1.877 1.00 25.00 H new ATOM 0 HB2 HIS A 123 -13.230 8.145 3.664 1.00 25.00 H new ATOM 0 HB3 HIS A 123 -14.570 8.345 4.776 1.00 25.00 H new ATOM 0 HD2 HIS A 123 -13.290 5.948 2.067 1.00 25.00 H new ATOM 0 HE1 HIS A 123 -17.112 4.419 3.150 1.00 25.00 H new ATOM 0 HE2 HIS A 123 -14.902 3.906 1.965 1.00 25.00 H new ATOM 1868 N ASP A 124 -17.105 9.915 2.563 1.00 25.00 N ATOM 1869 CA ASP A 124 -18.457 10.232 2.999 1.00 25.00 C ATOM 1870 C ASP A 124 -19.322 9.012 3.035 1.00 25.00 C ATOM 1871 O ASP A 124 -20.368 9.024 3.706 1.00 25.00 O ATOM 1872 CB ASP A 124 -19.154 11.236 2.097 1.00 25.00 C ATOM 1873 CG ASP A 124 -18.385 12.585 2.035 1.00 25.00 C ATOM 1874 OD1 ASP A 124 -18.031 13.002 0.916 1.00 50.00 O ATOM 1875 OD2 ASP A 124 -18.117 13.256 3.104 1.00 50.00 O1- ATOM 0 H ASP A 124 -16.999 9.778 1.558 1.00 25.00 H new ATOM 0 HA ASP A 124 -18.333 10.658 3.994 1.00 25.00 H new ATOM 0 HB2 ASP A 124 -19.244 10.822 1.093 1.00 25.00 H new ATOM 0 HB3 ASP A 124 -20.166 11.411 2.461 1.00 25.00 H new ATOM 1880 N GLY A 125 -18.953 7.873 2.433 1.00 25.00 N ATOM 1881 CA GLY A 125 -19.687 6.650 2.539 1.00 25.00 C ATOM 1882 C GLY A 125 -19.635 6.024 1.137 1.00 25.00 C ATOM 1883 O GLY A 125 -19.622 4.795 1.017 1.00 25.00 O ATOM 0 H GLY A 125 -18.117 7.797 1.853 1.00 25.00 H new ATOM 0 HA2 GLY A 125 -19.243 5.988 3.282 1.00 25.00 H new ATOM 0 HA3 GLY A 125 -20.715 6.834 2.850 1.00 25.00 H new ATOM 1887 N SER A 126 -19.413 6.872 0.150 1.00 25.00 N ATOM 1888 CA SER A 126 -18.830 6.539 -1.130 1.00 25.00 C ATOM 1889 C SER A 126 -17.310 6.449 -0.856 1.00 25.00 C ATOM 1890 O SER A 126 -16.810 7.208 0.025 1.00 25.00 O ATOM 1891 CB SER A 126 -19.161 7.688 -2.123 1.00 25.00 C ATOM 1892 OG SER A 126 -18.361 7.674 -3.277 1.00 25.00 O ATOM 0 H SER A 126 -19.648 7.862 0.227 1.00 25.00 H new ATOM 0 HA SER A 126 -19.203 5.610 -1.562 1.00 25.00 H new ATOM 0 HB2 SER A 126 -20.209 7.616 -2.415 1.00 25.00 H new ATOM 0 HB3 SER A 126 -19.037 8.644 -1.615 1.00 25.00 H new ATOM 0 HG SER A 126 -18.617 8.418 -3.862 1.00 25.00 H new ATOM 1898 N PRO A 127 -16.549 5.578 -1.569 1.00 25.00 N ATOM 1899 CA PRO A 127 -15.085 5.587 -1.385 1.00 25.00 C ATOM 1900 C PRO A 127 -14.604 7.023 -1.743 1.00 25.00 C ATOM 1901 O PRO A 127 -15.085 7.651 -2.686 1.00 25.00 O ATOM 1902 CB PRO A 127 -14.642 4.494 -2.375 1.00 25.00 C ATOM 1903 CG PRO A 127 -15.688 4.485 -3.446 1.00 25.00 C ATOM 1904 CD PRO A 127 -16.974 4.644 -2.677 1.00 25.00 C ATOM 0 HA PRO A 127 -14.691 5.381 -0.390 1.00 25.00 H new ATOM 0 HB2 PRO A 127 -13.657 4.713 -2.788 1.00 25.00 H new ATOM 0 HB3 PRO A 127 -14.573 3.523 -1.884 1.00 25.00 H new ATOM 0 HG2 PRO A 127 -15.542 5.298 -4.158 1.00 25.00 H new ATOM 0 HG3 PRO A 127 -15.672 3.556 -4.016 1.00 25.00 H new ATOM 0 HD2 PRO A 127 -17.769 5.070 -3.290 1.00 25.00 H new ATOM 0 HD3 PRO A 127 -17.343 3.693 -2.293 1.00 25.00 H new ATOM 1912 N ALA A 128 -13.550 7.494 -1.070 1.00 25.00 N ATOM 1913 CA ALA A 128 -12.991 8.804 -1.297 1.00 25.00 C ATOM 1914 C ALA A 128 -12.112 8.708 -2.525 1.00 25.00 C ATOM 1915 O ALA A 128 -11.871 9.697 -3.152 1.00 25.00 O ATOM 1916 CB ALA A 128 -12.146 9.198 -0.075 1.00 25.00 C ATOM 0 H ALA A 128 -13.065 6.961 -0.348 1.00 25.00 H new ATOM 0 HA ALA A 128 -13.769 9.553 -1.445 1.00 25.00 H new ATOM 0 HB1 ALA A 128 -11.717 10.187 -0.233 1.00 25.00 H new ATOM 0 HB2 ALA A 128 -12.777 9.214 0.814 1.00 25.00 H new ATOM 0 HB3 ALA A 128 -11.344 8.472 0.062 1.00 25.00 H new ATOM 1922 N SER A 129 -11.731 7.461 -2.848 1.00 25.00 N ATOM 1923 CA SER A 129 -10.800 7.148 -3.976 1.00 25.00 C ATOM 1924 C SER A 129 -11.553 7.089 -5.281 1.00 25.00 C ATOM 1925 O SER A 129 -10.957 6.766 -6.271 1.00 25.00 O ATOM 1926 CB SER A 129 -10.174 5.791 -3.662 1.00 25.00 C ATOM 1927 OG SER A 129 -11.151 4.841 -3.491 1.00 25.00 O ATOM 0 H SER A 129 -12.052 6.634 -2.344 1.00 25.00 H new ATOM 0 HA SER A 129 -10.036 7.919 -4.077 1.00 25.00 H new ATOM 0 HB2 SER A 129 -9.508 5.495 -4.472 1.00 25.00 H new ATOM 0 HB3 SER A 129 -9.567 5.864 -2.760 1.00 25.00 H new ATOM 0 HG SER A 129 -10.735 3.976 -3.292 1.00 25.00 H new ATOM 1933 N ARG A 130 -12.866 7.430 -5.324 1.00 25.00 N ATOM 1934 CA ARG A 130 -13.669 7.339 -6.562 1.00 25.00 C ATOM 1935 C ARG A 130 -13.079 8.103 -7.735 1.00 25.00 C ATOM 1936 O ARG A 130 -13.062 7.646 -8.901 1.00 25.00 O ATOM 1937 CB ARG A 130 -15.162 7.646 -6.328 1.00 25.00 C ATOM 1938 CG ARG A 130 -16.118 7.307 -7.426 1.00 25.00 C ATOM 1939 CD ARG A 130 -17.386 8.059 -7.066 1.00 25.00 C ATOM 1940 NE ARG A 130 -18.327 8.043 -8.194 1.00 25.00 N ATOM 1941 CZ ARG A 130 -19.518 8.654 -8.291 1.00 25.00 C ATOM 1942 NH1 ARG A 130 -19.974 9.407 -7.287 1.00 25.00 N1+ ATOM 1943 NH2 ARG A 130 -20.099 8.679 -9.447 1.00 25.00 N ATOM 0 H ARG A 130 -13.387 7.769 -4.515 1.00 25.00 H new ATOM 0 HA ARG A 130 -13.619 6.292 -6.860 1.00 25.00 H new ATOM 0 HB2 ARG A 130 -15.478 7.114 -5.431 1.00 25.00 H new ATOM 0 HB3 ARG A 130 -15.257 8.711 -6.117 1.00 25.00 H new ATOM 0 HG2 ARG A 130 -15.734 7.618 -8.398 1.00 25.00 H new ATOM 0 HG3 ARG A 130 -16.295 6.233 -7.482 1.00 25.00 H new ATOM 0 HD2 ARG A 130 -17.850 7.605 -6.190 1.00 25.00 H new ATOM 0 HD3 ARG A 130 -17.144 9.088 -6.801 1.00 25.00 H new ATOM 0 HE ARG A 130 -18.039 7.498 -9.007 1.00 25.00 H new ATOM 0 HH11 ARG A 130 -19.416 9.520 -6.440 1.00 25.00 H new ATOM 0 HH12 ARG A 130 -20.880 9.869 -7.367 1.00 25.00 H new ATOM 0 HH21 ARG A 130 -19.651 8.242 -10.252 1.00 25.00 H new ATOM 0 HH22 ARG A 130 -21.005 9.136 -9.553 1.00 25.00 H new ATOM 1957 N ASN A 131 -12.617 9.318 -7.482 1.00 25.00 N ATOM 1958 CA ASN A 131 -11.793 9.989 -8.447 1.00 25.00 C ATOM 1959 C ASN A 131 -10.364 10.075 -7.898 1.00 25.00 C ATOM 1960 O ASN A 131 -10.130 10.996 -7.076 1.00 25.00 O ATOM 1961 CB ASN A 131 -12.226 11.436 -8.692 1.00 25.00 C ATOM 1962 CG ASN A 131 -13.469 11.577 -9.535 1.00 25.00 C ATOM 1963 OD1 ASN A 131 -14.500 11.005 -9.237 1.00 25.00 O ATOM 1964 ND2 ASN A 131 -13.400 12.350 -10.604 1.00 25.00 N ATOM 0 H ASN A 131 -12.801 9.844 -6.628 1.00 25.00 H new ATOM 0 HA ASN A 131 -11.873 9.420 -9.373 1.00 25.00 H new ATOM 0 HB2 ASN A 131 -12.396 11.920 -7.730 1.00 25.00 H new ATOM 0 HB3 ASN A 131 -11.409 11.970 -9.177 1.00 25.00 H new ATOM 0 HD21 ASN A 131 -14.221 12.476 -11.196 1.00 25.00 H new ATOM 0 HD22 ASN A 131 -12.526 12.821 -10.837 1.00 25.00 H new ATOM 1971 N LEU A 132 -9.495 9.174 -8.315 1.00 25.00 N ATOM 1972 CA LEU A 132 -8.125 9.038 -7.783 1.00 25.00 C ATOM 1973 C LEU A 132 -7.138 10.016 -8.532 1.00 25.00 C ATOM 1974 O LEU A 132 -5.932 10.206 -8.123 1.00 25.00 O ATOM 1975 CB LEU A 132 -7.615 7.601 -8.010 1.00 25.00 C ATOM 1976 CG LEU A 132 -6.635 7.033 -6.987 1.00 25.00 C ATOM 1977 CD1 LEU A 132 -7.203 7.092 -5.537 1.00 75.00 C ATOM 1978 CD2 LEU A 132 -6.189 5.664 -7.345 1.00 75.00 C ATOM 0 H LEU A 132 -9.712 8.497 -9.046 1.00 25.00 H new ATOM 0 HA LEU A 132 -8.155 9.277 -6.720 1.00 25.00 H new ATOM 0 HB2 LEU A 132 -8.480 6.939 -8.051 1.00 25.00 H new ATOM 0 HB3 LEU A 132 -7.138 7.564 -8.990 1.00 25.00 H new ATOM 0 HG LEU A 132 -5.753 7.673 -7.011 1.00 25.00 H new ATOM 0 HD11 LEU A 132 -6.472 6.677 -4.843 1.00 75.00 H new ATOM 0 HD12 LEU A 132 -7.411 8.128 -5.269 1.00 75.00 H new ATOM 0 HD13 LEU A 132 -8.124 6.512 -5.483 1.00 75.00 H new ATOM 0 HD21 LEU A 132 -5.493 5.299 -6.590 1.00 75.00 H new ATOM 0 HD22 LEU A 132 -7.053 5.001 -7.393 1.00 75.00 H new ATOM 0 HD23 LEU A 132 -5.693 5.685 -8.316 1.00 75.00 H new ATOM 1990 N SER A 133 -7.593 10.619 -9.644 1.00 25.00 N ATOM 1991 CA SER A 133 -6.835 11.599 -10.407 1.00 25.00 C ATOM 1992 C SER A 133 -7.380 12.922 -10.106 1.00 25.00 C ATOM 1993 O SER A 133 -8.569 13.053 -9.981 1.00 25.00 O ATOM 1994 CB SER A 133 -7.067 11.306 -11.877 1.00 25.00 C ATOM 1995 OG SER A 133 -6.488 12.255 -12.782 1.00 25.00 O ATOM 0 H SER A 133 -8.515 10.429 -10.036 1.00 25.00 H new ATOM 0 HA SER A 133 -5.773 11.560 -10.165 1.00 25.00 H new ATOM 0 HB2 SER A 133 -6.665 10.319 -12.103 1.00 25.00 H new ATOM 0 HB3 SER A 133 -8.141 11.262 -12.058 1.00 25.00 H new ATOM 0 HG SER A 133 -6.684 11.989 -13.705 1.00 25.00 H new ATOM 2001 N HIS A 134 -6.567 13.948 -9.918 1.00 25.00 N ATOM 2002 CA HIS A 134 -6.975 15.241 -9.299 1.00 25.00 C ATOM 2003 C HIS A 134 -6.266 16.451 -9.973 1.00 25.00 C ATOM 2004 O HIS A 134 -5.159 16.324 -10.425 1.00 25.00 O ATOM 2005 CB HIS A 134 -6.797 15.083 -7.759 1.00 25.00 C ATOM 2006 CG HIS A 134 -7.253 16.305 -7.034 1.00 25.00 C ATOM 2007 ND1 HIS A 134 -6.449 17.369 -6.740 1.00 25.00 N ATOM 2008 CD2 HIS A 134 -8.469 16.605 -6.559 1.00 25.00 C ATOM 2009 CE1 HIS A 134 -7.196 18.324 -6.175 1.00 25.00 C ATOM 2010 NE2 HIS A 134 -8.427 17.856 -6.002 1.00 25.00 N ATOM 0 H HIS A 134 -5.584 13.926 -10.189 1.00 25.00 H new ATOM 0 HA HIS A 134 -8.024 15.479 -9.473 1.00 25.00 H new ATOM 0 HB2 HIS A 134 -7.363 14.219 -7.412 1.00 25.00 H new ATOM 0 HB3 HIS A 134 -5.749 14.891 -7.529 1.00 25.00 H new ATOM 0 HD2 HIS A 134 -9.339 15.966 -6.607 1.00 25.00 H new ATOM 0 HE1 HIS A 134 -6.855 19.312 -5.904 1.00 25.00 H new ATOM 0 HE2 HIS A 134 -9.198 18.338 -5.540 1.00 25.00 H new ATOM 2018 N HIS A 135 -6.981 17.552 -9.987 1.00 25.00 N ATOM 2019 CA HIS A 135 -6.559 18.723 -10.748 1.00 25.00 C ATOM 2020 C HIS A 135 -5.969 19.800 -9.780 1.00 25.00 C ATOM 2021 O HIS A 135 -6.473 19.897 -8.664 1.00 25.00 O ATOM 2022 CB HIS A 135 -7.788 19.309 -11.466 1.00 25.00 C ATOM 2023 CG HIS A 135 -8.303 18.430 -12.544 1.00 25.00 C ATOM 2024 ND1 HIS A 135 -8.235 18.764 -13.905 1.00 25.00 N ATOM 2025 CD2 HIS A 135 -8.849 17.195 -12.543 1.00 25.00 C ATOM 2026 CE1 HIS A 135 -8.923 17.890 -14.610 1.00 25.00 C ATOM 2027 NE2 HIS A 135 -9.261 16.934 -13.812 1.00 25.00 N ATOM 0 H HIS A 135 -7.860 17.669 -9.482 1.00 25.00 H new ATOM 0 HA HIS A 135 -5.796 18.436 -11.472 1.00 25.00 H new ATOM 0 HB2 HIS A 135 -8.579 19.482 -10.737 1.00 25.00 H new ATOM 0 HB3 HIS A 135 -7.527 20.279 -11.889 1.00 25.00 H new ATOM 0 HD1 HIS A 135 -7.730 19.562 -14.290 1.00 25.00 H new ATOM 0 HD2 HIS A 135 -8.941 16.537 -11.692 1.00 25.00 H new ATOM 0 HE1 HIS A 135 -9.160 17.960 -15.661 1.00 25.00 H new ATOM 2035 N ILE A 136 -5.055 20.595 -10.220 1.00 25.00 N ATOM 2036 CA ILE A 136 -4.563 21.730 -9.499 1.00 25.00 C ATOM 2037 C ILE A 136 -4.349 22.843 -10.541 1.00 25.00 C ATOM 2038 O ILE A 136 -3.627 22.604 -11.526 1.00 25.00 O ATOM 2039 CB ILE A 136 -3.171 21.461 -8.781 1.00 25.00 C ATOM 2040 CG1 ILE A 136 -3.145 20.287 -7.752 1.00 25.00 C ATOM 2041 CG2 ILE A 136 -2.694 22.686 -8.031 1.00 25.00 C ATOM 2042 CD1 ILE A 136 -4.097 20.392 -6.470 1.00 25.00 C ATOM 0 H ILE A 136 -4.609 20.471 -11.129 1.00 25.00 H new ATOM 0 HA ILE A 136 -5.281 21.986 -8.720 1.00 25.00 H new ATOM 0 HB ILE A 136 -2.524 21.192 -9.616 1.00 25.00 H new ATOM 0 HG12 ILE A 136 -3.401 19.371 -8.284 1.00 25.00 H new ATOM 0 HG13 ILE A 136 -2.120 20.175 -7.399 1.00 25.00 H new ATOM 0 HG21 ILE A 136 -1.740 22.470 -7.551 1.00 25.00 H new ATOM 0 HG22 ILE A 136 -2.570 23.514 -8.729 1.00 25.00 H new ATOM 0 HG23 ILE A 136 -3.428 22.957 -7.273 1.00 25.00 H new ATOM 0 HD11 ILE A 136 -3.970 19.505 -5.849 1.00 25.00 H new ATOM 0 HD12 ILE A 136 -3.835 21.279 -5.894 1.00 25.00 H new ATOM 0 HD13 ILE A 136 -5.136 20.463 -6.793 1.00 25.00 H new ATOM 2054 N TYR A 137 -4.890 24.018 -10.341 1.00 25.00 N ATOM 2055 CA TYR A 137 -4.622 25.144 -11.262 1.00 25.00 C ATOM 2056 C TYR A 137 -3.364 25.810 -10.856 1.00 25.00 C ATOM 2057 O TYR A 137 -3.273 26.257 -9.682 1.00 25.00 O ATOM 2058 CB TYR A 137 -5.773 26.128 -11.354 1.00 25.00 C ATOM 2059 CG TYR A 137 -5.521 27.326 -12.174 1.00 25.00 C ATOM 2060 CD1 TYR A 137 -4.901 28.465 -11.553 1.00 50.00 C ATOM 2061 CD2 TYR A 137 -5.759 27.368 -13.545 1.00 50.00 C ATOM 2062 CE1 TYR A 137 -4.590 29.577 -12.341 1.00 25.00 C ATOM 2063 CE2 TYR A 137 -5.536 28.496 -14.364 1.00 25.00 C ATOM 2064 CZ TYR A 137 -4.880 29.563 -13.719 1.00 25.00 C ATOM 2065 OH TYR A 137 -4.596 30.654 -14.432 1.00 25.00 O ATOM 0 H TYR A 137 -5.514 24.240 -9.565 1.00 25.00 H new ATOM 0 HA TYR A 137 -4.514 24.738 -12.268 1.00 25.00 H new ATOM 0 HB2 TYR A 137 -6.641 25.608 -11.759 1.00 25.00 H new ATOM 0 HB3 TYR A 137 -6.036 26.448 -10.346 1.00 25.00 H new ATOM 0 HD1 TYR A 137 -4.679 28.461 -10.496 1.00 50.00 H new ATOM 0 HD2 TYR A 137 -6.141 26.474 -14.015 1.00 50.00 H new ATOM 0 HE1 TYR A 137 -4.128 30.445 -11.894 1.00 25.00 H new ATOM 0 HE2 TYR A 137 -5.843 28.538 -15.399 1.00 25.00 H new ATOM 0 HH TYR A 137 -4.846 30.507 -15.368 1.00 25.00 H new ATOM 2075 N ILE A 138 -2.439 25.973 -11.753 1.00 25.00 N ATOM 2076 CA ILE A 138 -1.210 26.710 -11.500 1.00 25.00 C ATOM 2077 C ILE A 138 -1.387 28.069 -12.121 1.00 25.00 C ATOM 2078 O ILE A 138 -1.684 28.166 -13.341 1.00 25.00 O ATOM 2079 CB ILE A 138 0.067 26.050 -12.106 1.00 25.00 C ATOM 2080 CG1 ILE A 138 0.220 24.582 -11.654 1.00 25.00 C ATOM 2081 CG2 ILE A 138 1.287 26.959 -11.846 1.00 25.00 C ATOM 2082 CD1 ILE A 138 0.282 24.293 -10.111 1.00 25.00 C ATOM 0 H ILE A 138 -2.505 25.597 -12.699 1.00 25.00 H new ATOM 0 HA ILE A 138 -1.051 26.739 -10.422 1.00 25.00 H new ATOM 0 HB ILE A 138 -0.023 25.972 -13.189 1.00 25.00 H new ATOM 0 HG12 ILE A 138 -0.614 24.016 -12.067 1.00 25.00 H new ATOM 0 HG13 ILE A 138 1.129 24.186 -12.106 1.00 25.00 H new ATOM 0 HG21 ILE A 138 2.180 26.499 -12.269 1.00 25.00 H new ATOM 0 HG22 ILE A 138 1.123 27.930 -12.313 1.00 25.00 H new ATOM 0 HG23 ILE A 138 1.420 27.091 -10.772 1.00 25.00 H new ATOM 0 HD11 ILE A 138 0.390 23.221 -9.946 1.00 25.00 H new ATOM 0 HD12 ILE A 138 1.135 24.815 -9.677 1.00 25.00 H new ATOM 0 HD13 ILE A 138 -0.636 24.642 -9.638 1.00 25.00 H new ATOM 2094 N PRO A 139 -1.292 29.163 -11.381 1.00 25.00 N ATOM 2095 CA PRO A 139 -1.266 30.409 -12.182 1.00 25.00 C ATOM 2096 C PRO A 139 -0.029 30.629 -13.064 1.00 25.00 C ATOM 2097 O PRO A 139 1.086 30.270 -12.736 1.00 25.00 O ATOM 2098 CB PRO A 139 -1.391 31.546 -11.104 1.00 25.00 C ATOM 2099 CG PRO A 139 -0.771 30.879 -9.918 1.00 25.00 C ATOM 2100 CD PRO A 139 -1.118 29.475 -9.966 1.00 25.00 C ATOM 0 HA PRO A 139 -2.068 30.380 -12.920 1.00 25.00 H new ATOM 0 HB2 PRO A 139 -0.858 32.451 -11.395 1.00 25.00 H new ATOM 0 HB3 PRO A 139 -2.427 31.831 -10.923 1.00 25.00 H new ATOM 0 HG2 PRO A 139 0.312 31.005 -9.932 1.00 25.00 H new ATOM 0 HG3 PRO A 139 -1.133 31.330 -8.994 1.00 25.00 H new ATOM 0 HD2 PRO A 139 -0.333 28.862 -9.523 1.00 25.00 H new ATOM 0 HD3 PRO A 139 -2.032 29.277 -9.406 1.00 25.00 H new ATOM 2108 N GLU A 140 -0.232 31.334 -14.164 1.00 25.00 N ATOM 2109 CA GLU A 140 0.847 31.605 -15.110 1.00 25.00 C ATOM 2110 C GLU A 140 1.586 32.955 -14.783 1.00 25.00 C ATOM 2111 O GLU A 140 1.887 33.743 -15.677 1.00 25.00 O ATOM 2112 CB GLU A 140 0.268 31.572 -16.559 1.00 25.00 C ATOM 2113 CG GLU A 140 1.265 30.968 -17.454 1.00 25.00 C ATOM 2114 CD GLU A 140 1.318 31.646 -18.809 1.00 25.00 C ATOM 2115 OE1 GLU A 140 2.389 31.914 -19.328 1.00 25.00 O ATOM 2116 OE2 GLU A 140 0.246 31.889 -19.397 1.00 25.00 O1- ATOM 0 H GLU A 140 -1.134 31.731 -14.428 1.00 25.00 H new ATOM 0 HA GLU A 140 1.609 30.830 -15.023 1.00 25.00 H new ATOM 0 HB2 GLU A 140 -0.658 30.997 -16.582 1.00 25.00 H new ATOM 0 HB3 GLU A 140 0.025 32.581 -16.891 1.00 25.00 H new ATOM 0 HG2 GLU A 140 2.248 31.022 -16.986 1.00 25.00 H new ATOM 0 HG3 GLU A 140 1.034 29.911 -17.589 1.00 25.00 H new ATOM 2123 N ASP A 141 1.650 33.313 -13.515 1.00 25.00 N ATOM 2124 CA ASP A 141 2.220 34.668 -13.041 1.00 25.00 C ATOM 2125 C ASP A 141 3.751 34.808 -13.228 1.00 25.00 C ATOM 2126 O ASP A 141 4.203 35.860 -13.604 1.00 25.00 O ATOM 2127 CB ASP A 141 1.841 34.952 -11.555 1.00 25.00 C ATOM 2128 CG ASP A 141 2.430 34.021 -10.565 1.00 25.00 C ATOM 2129 OD1 ASP A 141 2.272 32.774 -10.653 1.00 50.00 O ATOM 2130 OD2 ASP A 141 3.108 34.506 -9.643 1.00 50.00 O1- ATOM 0 H ASP A 141 1.326 32.718 -12.752 1.00 25.00 H new ATOM 0 HA ASP A 141 1.756 35.413 -13.688 1.00 25.00 H new ATOM 0 HB2 ASP A 141 2.151 35.967 -11.305 1.00 25.00 H new ATOM 0 HB3 ASP A 141 0.756 34.918 -11.461 1.00 25.00 H new ATOM 2135 N ARG A 142 4.499 33.798 -12.878 1.00 25.00 N ATOM 2136 CA ARG A 142 5.942 33.883 -12.814 1.00 25.00 C ATOM 2137 C ARG A 142 6.615 32.560 -13.052 1.00 25.00 C ATOM 2138 O ARG A 142 5.960 31.504 -12.971 1.00 25.00 O ATOM 2139 CB ARG A 142 6.423 34.361 -11.392 1.00 25.00 C ATOM 2140 CG ARG A 142 5.978 35.716 -10.990 1.00 25.00 C ATOM 2141 CD ARG A 142 6.361 35.952 -9.453 1.00 25.00 C ATOM 2142 NE ARG A 142 6.166 37.357 -9.049 1.00 25.00 N ATOM 2143 CZ ARG A 142 4.983 37.930 -8.845 1.00 25.00 C ATOM 2144 NH1 ARG A 142 5.018 39.224 -8.829 1.00 25.00 N1+ ATOM 2145 NH2 ARG A 142 3.796 37.345 -8.875 1.00 25.00 N ATOM 0 H ARG A 142 4.126 32.883 -12.626 1.00 25.00 H new ATOM 0 HA ARG A 142 6.215 34.592 -13.595 1.00 25.00 H new ATOM 0 HB2 ARG A 142 6.069 33.646 -10.649 1.00 25.00 H new ATOM 0 HB3 ARG A 142 7.512 34.333 -11.368 1.00 25.00 H new ATOM 0 HG2 ARG A 142 6.453 36.470 -11.617 1.00 25.00 H new ATOM 0 HG3 ARG A 142 4.902 35.817 -11.130 1.00 25.00 H new ATOM 0 HD2 ARG A 142 5.751 35.305 -8.823 1.00 25.00 H new ATOM 0 HD3 ARG A 142 7.401 35.668 -9.290 1.00 25.00 H new ATOM 0 HE ARG A 142 6.999 37.931 -8.916 1.00 25.00 H new ATOM 0 HH11 ARG A 142 5.903 39.712 -8.966 1.00 25.00 H new ATOM 0 HH12 ARG A 142 4.160 39.756 -8.679 1.00 25.00 H new ATOM 0 HH21 ARG A 142 3.724 36.347 -9.072 1.00 25.00 H new ATOM 0 HH22 ARG A 142 2.953 37.892 -8.701 1.00 25.00 H new ATOM 2159 N LEU A 143 7.892 32.564 -13.274 1.00 25.00 N ATOM 2160 CA LEU A 143 8.717 31.373 -13.271 1.00 25.00 C ATOM 2161 C LEU A 143 9.101 31.077 -11.828 1.00 25.00 C ATOM 2162 O LEU A 143 9.351 32.016 -11.041 1.00 25.00 O ATOM 2163 CB LEU A 143 10.014 31.527 -14.043 1.00 25.00 C ATOM 2164 CG LEU A 143 10.027 31.443 -15.590 1.00 25.00 C ATOM 2165 CD1 LEU A 143 9.590 32.804 -16.145 1.00 50.00 C ATOM 2166 CD2 LEU A 143 11.345 30.940 -16.226 1.00 50.00 C ATOM 0 H LEU A 143 8.416 33.417 -13.469 1.00 25.00 H new ATOM 0 HA LEU A 143 8.134 30.583 -13.745 1.00 25.00 H new ATOM 0 HB2 LEU A 143 10.437 32.494 -13.770 1.00 25.00 H new ATOM 0 HB3 LEU A 143 10.700 30.764 -13.674 1.00 25.00 H new ATOM 0 HG LEU A 143 9.321 30.663 -15.875 1.00 25.00 H new ATOM 0 HD11 LEU A 143 9.591 32.770 -17.234 1.00 50.00 H new ATOM 0 HD12 LEU A 143 8.586 33.036 -15.790 1.00 50.00 H new ATOM 0 HD13 LEU A 143 10.282 33.575 -15.805 1.00 50.00 H new ATOM 0 HD21 LEU A 143 11.242 30.921 -17.311 1.00 50.00 H new ATOM 0 HD22 LEU A 143 12.160 31.609 -15.951 1.00 50.00 H new ATOM 0 HD23 LEU A 143 11.563 29.935 -15.865 1.00 50.00 H new ATOM 2178 N GLY A 144 9.280 29.801 -11.516 1.00 25.00 N ATOM 2179 CA GLY A 144 9.864 29.354 -10.283 1.00 25.00 C ATOM 2180 C GLY A 144 9.212 28.140 -9.674 1.00 25.00 C ATOM 2181 O GLY A 144 8.327 27.507 -10.262 1.00 25.00 O ATOM 0 H GLY A 144 9.012 29.037 -12.137 1.00 25.00 H new ATOM 0 HA2 GLY A 144 10.917 29.134 -10.456 1.00 25.00 H new ATOM 0 HA3 GLY A 144 9.823 30.170 -9.562 1.00 25.00 H new ATOM 2185 N TYR A 145 9.721 27.734 -8.516 1.00 25.00 N ATOM 2186 CA TYR A 145 9.297 26.461 -7.874 1.00 25.00 C ATOM 2187 C TYR A 145 8.689 26.545 -6.494 1.00 25.00 C ATOM 2188 O TYR A 145 8.914 27.470 -5.769 1.00 25.00 O ATOM 2189 CB TYR A 145 10.525 25.535 -7.860 1.00 25.00 C ATOM 2190 CG TYR A 145 11.523 25.714 -6.780 1.00 25.00 C ATOM 2191 CD1 TYR A 145 12.623 26.547 -7.025 1.00 50.00 C ATOM 2192 CD2 TYR A 145 11.490 25.013 -5.512 1.00 50.00 C ATOM 2193 CE1 TYR A 145 13.601 26.788 -5.983 1.00 25.00 C ATOM 2194 CE2 TYR A 145 12.509 25.291 -4.506 1.00 25.00 C ATOM 2195 CZ TYR A 145 13.506 26.172 -4.735 1.00 25.00 C ATOM 2196 OH TYR A 145 14.362 26.344 -3.741 1.00 25.00 O ATOM 0 H TYR A 145 10.425 28.254 -7.992 1.00 25.00 H new ATOM 0 HA TYR A 145 8.468 26.084 -8.472 1.00 25.00 H new ATOM 0 HB2 TYR A 145 10.166 24.507 -7.815 1.00 25.00 H new ATOM 0 HB3 TYR A 145 11.041 25.651 -8.813 1.00 25.00 H new ATOM 0 HD1 TYR A 145 12.742 27.011 -7.993 1.00 50.00 H new ATOM 0 HD2 TYR A 145 10.715 24.288 -5.313 1.00 50.00 H new ATOM 0 HE1 TYR A 145 14.423 27.461 -6.177 1.00 25.00 H new ATOM 0 HE2 TYR A 145 12.465 24.780 -3.556 1.00 25.00 H new ATOM 0 HH TYR A 145 14.081 25.807 -2.971 1.00 25.00 H new ATOM 2206 N HIS A 146 7.964 25.486 -6.182 1.00 25.00 N ATOM 2207 CA HIS A 146 7.558 25.217 -4.841 1.00 25.00 C ATOM 2208 C HIS A 146 7.196 23.728 -4.809 1.00 25.00 C ATOM 2209 O HIS A 146 6.968 23.128 -5.872 1.00 25.00 O ATOM 2210 CB HIS A 146 6.330 26.107 -4.465 1.00 25.00 C ATOM 2211 CG HIS A 146 5.049 25.716 -5.159 1.00 25.00 C ATOM 2212 ND1 HIS A 146 4.853 25.911 -6.504 1.00 25.00 N ATOM 2213 CD2 HIS A 146 3.871 25.202 -4.705 1.00 25.00 C ATOM 2214 CE1 HIS A 146 3.644 25.442 -6.821 1.00 25.00 C ATOM 2215 NE2 HIS A 146 2.999 25.087 -5.753 1.00 25.00 N ATOM 0 H HIS A 146 7.647 24.795 -6.862 1.00 25.00 H new ATOM 0 HA HIS A 146 8.343 25.444 -4.119 1.00 25.00 H new ATOM 0 HB2 HIS A 146 6.176 26.058 -3.387 1.00 25.00 H new ATOM 0 HB3 HIS A 146 6.559 27.145 -4.707 1.00 25.00 H new ATOM 0 HD2 HIS A 146 3.660 24.929 -3.682 1.00 25.00 H new ATOM 0 HE1 HIS A 146 3.257 25.368 -7.827 1.00 25.00 H new ATOM 0 HE2 HIS A 146 2.027 24.781 -5.704 1.00 25.00 H new ATOM 2223 N VAL A 147 7.107 23.132 -3.623 1.00 25.00 N ATOM 2224 CA VAL A 147 6.827 21.695 -3.433 1.00 25.00 C ATOM 2225 C VAL A 147 5.279 21.387 -3.228 1.00 25.00 C ATOM 2226 O VAL A 147 4.636 22.114 -2.490 1.00 25.00 O ATOM 2227 CB VAL A 147 7.597 21.225 -2.240 1.00 25.00 C ATOM 2228 CG1 VAL A 147 7.553 19.646 -2.129 1.00 50.00 C ATOM 2229 CG2 VAL A 147 9.078 21.709 -2.279 1.00 50.00 C ATOM 0 H VAL A 147 7.228 23.636 -2.745 1.00 25.00 H new ATOM 0 HA VAL A 147 7.131 21.167 -4.337 1.00 25.00 H new ATOM 0 HB VAL A 147 7.121 21.660 -1.361 1.00 25.00 H new ATOM 0 HG11 VAL A 147 8.120 19.327 -1.254 1.00 50.00 H new ATOM 0 HG12 VAL A 147 6.519 19.317 -2.031 1.00 50.00 H new ATOM 0 HG13 VAL A 147 7.991 19.206 -3.025 1.00 50.00 H new ATOM 0 HG21 VAL A 147 9.603 21.346 -1.395 1.00 50.00 H new ATOM 0 HG22 VAL A 147 9.564 21.321 -3.174 1.00 50.00 H new ATOM 0 HG23 VAL A 147 9.104 22.799 -2.295 1.00 50.00 H new ATOM 2239 N ILE A 148 4.750 20.331 -3.845 1.00 25.00 N ATOM 2240 CA ILE A 148 3.314 19.901 -3.743 1.00 25.00 C ATOM 2241 C ILE A 148 3.236 18.524 -3.121 1.00 25.00 C ATOM 2242 O ILE A 148 4.050 17.644 -3.483 1.00 25.00 O ATOM 2243 CB ILE A 148 2.613 19.903 -5.158 1.00 25.00 C ATOM 2244 CG1 ILE A 148 2.729 21.321 -5.804 1.00 25.00 C ATOM 2245 CG2 ILE A 148 1.108 19.564 -5.097 1.00 25.00 C ATOM 2246 CD1 ILE A 148 1.813 21.712 -7.028 1.00 25.00 C ATOM 0 H ILE A 148 5.302 19.722 -4.449 1.00 25.00 H new ATOM 0 HA ILE A 148 2.787 20.614 -3.110 1.00 25.00 H new ATOM 0 HB ILE A 148 3.123 19.136 -5.741 1.00 25.00 H new ATOM 0 HG12 ILE A 148 2.545 22.051 -5.016 1.00 25.00 H new ATOM 0 HG13 ILE A 148 3.764 21.448 -6.121 1.00 25.00 H new ATOM 0 HG21 ILE A 148 0.690 19.583 -6.103 1.00 25.00 H new ATOM 0 HG22 ILE A 148 0.976 18.571 -4.668 1.00 25.00 H new ATOM 0 HG23 ILE A 148 0.594 20.298 -4.477 1.00 25.00 H new ATOM 0 HD11 ILE A 148 2.037 22.733 -7.338 1.00 25.00 H new ATOM 0 HD12 ILE A 148 2.003 21.031 -7.857 1.00 25.00 H new ATOM 0 HD13 ILE A 148 0.765 21.643 -6.735 1.00 25.00 H new ATOM 2258 N LEU A 149 2.380 18.432 -2.095 1.00 25.00 N ATOM 2259 CA LEU A 149 2.204 17.202 -1.326 1.00 25.00 C ATOM 2260 C LEU A 149 0.790 16.603 -1.424 1.00 25.00 C ATOM 2261 O LEU A 149 -0.152 17.373 -1.656 1.00 25.00 O ATOM 2262 CB LEU A 149 2.451 17.438 0.138 1.00 25.00 C ATOM 2263 CG LEU A 149 3.762 17.788 0.793 1.00 25.00 C ATOM 2264 CD1 LEU A 149 4.308 19.233 0.535 1.00 50.00 C ATOM 2265 CD2 LEU A 149 3.499 17.621 2.301 1.00 50.00 C ATOM 0 H LEU A 149 1.795 19.206 -1.779 1.00 25.00 H new ATOM 0 HA LEU A 149 2.924 16.510 -1.762 1.00 25.00 H new ATOM 0 HB2 LEU A 149 1.764 18.235 0.422 1.00 25.00 H new ATOM 0 HB3 LEU A 149 2.111 16.531 0.638 1.00 25.00 H new ATOM 0 HG LEU A 149 4.531 17.141 0.371 1.00 25.00 H new ATOM 0 HD11 LEU A 149 5.255 19.363 1.059 1.00 50.00 H new ATOM 0 HD12 LEU A 149 4.461 19.378 -0.534 1.00 50.00 H new ATOM 0 HD13 LEU A 149 3.588 19.965 0.901 1.00 50.00 H new ATOM 0 HD21 LEU A 149 4.406 17.857 2.857 1.00 50.00 H new ATOM 0 HD22 LEU A 149 2.700 18.295 2.608 1.00 50.00 H new ATOM 0 HD23 LEU A 149 3.205 16.592 2.507 1.00 50.00 H new ATOM 2277 N ALA A 150 0.654 15.319 -1.282 1.00 25.00 N ATOM 2278 CA ALA A 150 -0.651 14.595 -1.182 1.00 25.00 C ATOM 2279 C ALA A 150 -0.508 13.722 0.060 1.00 25.00 C ATOM 2280 O ALA A 150 0.616 13.152 0.272 1.00 25.00 O ATOM 2281 CB ALA A 150 -0.854 13.656 -2.442 1.00 25.00 C ATOM 0 H ALA A 150 1.457 14.692 -1.227 1.00 25.00 H new ATOM 0 HA ALA A 150 -1.496 15.282 -1.134 1.00 25.00 H new ATOM 0 HB1 ALA A 150 -1.807 13.135 -2.357 1.00 25.00 H new ATOM 0 HB2 ALA A 150 -0.850 14.259 -3.350 1.00 25.00 H new ATOM 0 HB3 ALA A 150 -0.045 12.927 -2.487 1.00 25.00 H new ATOM 2287 N VAL A 151 -1.590 13.675 0.860 1.00 25.00 N ATOM 2288 CA VAL A 151 -1.617 12.986 2.182 1.00 25.00 C ATOM 2289 C VAL A 151 -2.911 12.194 2.251 1.00 25.00 C ATOM 2290 O VAL A 151 -3.974 12.746 2.011 1.00 25.00 O ATOM 2291 CB VAL A 151 -1.537 14.041 3.345 1.00 25.00 C ATOM 2292 CG1 VAL A 151 -1.548 13.294 4.726 1.00 50.00 C ATOM 2293 CG2 VAL A 151 -0.359 15.001 3.170 1.00 50.00 C ATOM 0 H VAL A 151 -2.478 14.113 0.614 1.00 25.00 H new ATOM 0 HA VAL A 151 -0.762 12.319 2.293 1.00 25.00 H new ATOM 0 HB VAL A 151 -2.417 14.683 3.314 1.00 25.00 H new ATOM 0 HG11 VAL A 151 -1.493 14.023 5.534 1.00 50.00 H new ATOM 0 HG12 VAL A 151 -2.468 12.717 4.820 1.00 50.00 H new ATOM 0 HG13 VAL A 151 -0.691 12.623 4.783 1.00 50.00 H new ATOM 0 HG21 VAL A 151 -0.343 15.712 3.996 1.00 50.00 H new ATOM 0 HG22 VAL A 151 0.573 14.436 3.160 1.00 50.00 H new ATOM 0 HG23 VAL A 151 -0.466 15.541 2.229 1.00 50.00 H new ATOM 2303 N TRP A 152 -2.798 10.938 2.635 1.00 25.00 N ATOM 2304 CA TRP A 152 -3.995 10.086 2.758 1.00 25.00 C ATOM 2305 C TRP A 152 -4.048 9.521 4.180 1.00 25.00 C ATOM 2306 O TRP A 152 -3.118 8.817 4.669 1.00 25.00 O ATOM 2307 CB TRP A 152 -3.760 8.987 1.726 1.00 25.00 C ATOM 2308 CG TRP A 152 -4.788 7.912 1.527 1.00 25.00 C ATOM 2309 CD1 TRP A 152 -5.534 7.306 2.508 1.00 25.00 C ATOM 2310 CD2 TRP A 152 -5.206 7.245 0.289 1.00 25.00 C ATOM 2311 NE1 TRP A 152 -6.172 6.190 1.998 1.00 25.00 N ATOM 2312 CE2 TRP A 152 -6.047 6.139 0.623 1.00 25.00 C ATOM 2313 CE3 TRP A 152 -4.958 7.530 -1.066 1.00 25.00 C ATOM 2314 CZ2 TRP A 152 -6.570 5.254 -0.361 1.00 25.00 C ATOM 2315 CZ3 TRP A 152 -5.548 6.682 -2.092 1.00 25.00 C ATOM 2316 CH2 TRP A 152 -6.316 5.511 -1.730 1.00 25.00 C ATOM 0 H TRP A 152 -1.916 10.480 2.866 1.00 25.00 H new ATOM 0 HA TRP A 152 -4.939 10.604 2.587 1.00 25.00 H new ATOM 0 HB2 TRP A 152 -3.610 9.474 0.762 1.00 25.00 H new ATOM 0 HB3 TRP A 152 -2.822 8.495 1.984 1.00 25.00 H new ATOM 0 HD1 TRP A 152 -5.611 7.651 3.529 1.00 25.00 H new ATOM 0 HE1 TRP A 152 -6.668 5.498 2.561 1.00 25.00 H new ATOM 0 HE3 TRP A 152 -4.337 8.369 -1.342 1.00 25.00 H new ATOM 0 HZ2 TRP A 152 -7.155 4.395 -0.067 1.00 25.00 H new ATOM 0 HZ3 TRP A 152 -5.411 6.930 -3.134 1.00 25.00 H new ATOM 0 HH2 TRP A 152 -6.690 4.843 -2.492 1.00 25.00 H new ATOM 2327 N ASP A 153 -5.217 9.711 4.815 1.00 25.00 N ATOM 2328 CA ASP A 153 -5.449 9.232 6.173 1.00 25.00 C ATOM 2329 C ASP A 153 -6.387 8.053 6.160 1.00 25.00 C ATOM 2330 O ASP A 153 -7.276 7.885 5.291 1.00 25.00 O ATOM 2331 CB ASP A 153 -6.076 10.328 6.989 1.00 25.00 C ATOM 2332 CG ASP A 153 -5.083 11.218 7.729 1.00 25.00 C ATOM 2333 OD1 ASP A 153 -4.417 10.661 8.636 1.00 25.00 O ATOM 2334 OD2 ASP A 153 -5.166 12.458 7.550 1.00 25.00 O1- ATOM 0 H ASP A 153 -6.014 10.195 4.401 1.00 25.00 H new ATOM 0 HA ASP A 153 -4.493 8.934 6.604 1.00 25.00 H new ATOM 0 HB2 ASP A 153 -6.682 10.951 6.331 1.00 25.00 H new ATOM 0 HB3 ASP A 153 -6.753 9.879 7.716 1.00 25.00 H new ATOM 2339 N VAL A 154 -6.133 7.126 7.072 1.00 25.00 N ATOM 2340 CA VAL A 154 -6.717 5.819 7.174 1.00 25.00 C ATOM 2341 C VAL A 154 -7.316 5.579 8.539 1.00 25.00 C ATOM 2342 O VAL A 154 -6.607 5.802 9.518 1.00 25.00 O ATOM 2343 CB VAL A 154 -5.706 4.747 6.679 1.00 25.00 C ATOM 2344 CG1 VAL A 154 -6.293 3.332 6.562 1.00 50.00 C ATOM 2345 CG2 VAL A 154 -5.077 5.156 5.345 1.00 50.00 C ATOM 0 H VAL A 154 -5.456 7.294 7.816 1.00 25.00 H new ATOM 0 HA VAL A 154 -7.575 5.738 6.506 1.00 25.00 H new ATOM 0 HB VAL A 154 -4.941 4.703 7.454 1.00 25.00 H new ATOM 0 HG11 VAL A 154 -5.522 2.646 6.211 1.00 50.00 H new ATOM 0 HG12 VAL A 154 -6.652 3.005 7.538 1.00 50.00 H new ATOM 0 HG13 VAL A 154 -7.122 3.339 5.854 1.00 50.00 H new ATOM 0 HG21 VAL A 154 -4.374 4.387 5.023 1.00 50.00 H new ATOM 0 HG22 VAL A 154 -5.859 5.270 4.594 1.00 50.00 H new ATOM 0 HG23 VAL A 154 -4.549 6.102 5.466 1.00 50.00 H new ATOM 2355 N ALA A 155 -8.571 5.210 8.657 1.00 25.00 N ATOM 2356 CA ALA A 155 -9.148 5.032 10.004 1.00 25.00 C ATOM 2357 C ALA A 155 -8.550 3.740 10.465 1.00 25.00 C ATOM 2358 O ALA A 155 -8.358 3.505 11.640 1.00 25.00 O ATOM 2359 CB ALA A 155 -10.669 4.848 9.895 1.00 25.00 C ATOM 0 H ALA A 155 -9.206 5.029 7.879 1.00 25.00 H new ATOM 0 HA ALA A 155 -8.952 5.876 10.665 1.00 25.00 H new ATOM 0 HB1 ALA A 155 -11.092 4.717 10.891 1.00 25.00 H new ATOM 0 HB2 ALA A 155 -11.109 5.728 9.427 1.00 25.00 H new ATOM 0 HB3 ALA A 155 -10.887 3.968 9.290 1.00 25.00 H new ATOM 2365 N ASP A 156 -8.374 2.820 9.520 1.00 25.00 N ATOM 2366 CA ASP A 156 -7.938 1.436 9.781 1.00 25.00 C ATOM 2367 C ASP A 156 -6.480 1.213 10.136 1.00 25.00 C ATOM 2368 O ASP A 156 -6.074 0.108 10.517 1.00 25.00 O ATOM 2369 CB ASP A 156 -8.168 0.582 8.536 1.00 25.00 C ATOM 2370 CG ASP A 156 -8.313 -0.861 8.824 1.00 25.00 C ATOM 2371 OD1 ASP A 156 -9.162 -1.230 9.682 1.00 25.00 O ATOM 2372 OD2 ASP A 156 -7.589 -1.669 8.178 1.00 25.00 O1- ATOM 0 H ASP A 156 -8.531 3.011 8.531 1.00 25.00 H new ATOM 0 HA ASP A 156 -8.531 1.168 10.655 1.00 25.00 H new ATOM 0 HB2 ASP A 156 -9.065 0.934 8.026 1.00 25.00 H new ATOM 0 HB3 ASP A 156 -7.334 0.724 7.849 1.00 25.00 H new ATOM 2377 N THR A 157 -5.634 2.206 9.949 1.00 25.00 N ATOM 2378 CA THR A 157 -4.198 2.078 10.259 1.00 25.00 C ATOM 2379 C THR A 157 -3.717 3.275 11.038 1.00 25.00 C ATOM 2380 O THR A 157 -4.227 4.396 10.846 1.00 25.00 O ATOM 2381 CB THR A 157 -3.336 1.805 8.911 1.00 25.00 C ATOM 2382 OG1 THR A 157 -3.341 2.961 8.091 1.00 25.00 O ATOM 2383 CG2 THR A 157 -3.783 0.600 8.095 1.00 25.00 C ATOM 0 H THR A 157 -5.904 3.119 9.583 1.00 25.00 H new ATOM 0 HA THR A 157 -4.047 1.208 10.898 1.00 25.00 H new ATOM 0 HB THR A 157 -2.329 1.571 9.256 1.00 25.00 H new ATOM 0 HG1 THR A 157 -2.737 3.633 8.470 1.00 25.00 H new ATOM 0 HG21 THR A 157 -3.147 0.500 7.215 1.00 25.00 H new ATOM 0 HG22 THR A 157 -3.704 -0.301 8.703 1.00 25.00 H new ATOM 0 HG23 THR A 157 -4.818 0.737 7.781 1.00 25.00 H new ATOM 2391 N GLU A 158 -2.741 3.056 11.904 1.00 25.00 N ATOM 2392 CA GLU A 158 -2.192 4.074 12.778 1.00 25.00 C ATOM 2393 C GLU A 158 -1.142 4.928 11.999 1.00 25.00 C ATOM 2394 O GLU A 158 -0.822 6.014 12.420 1.00 25.00 O ATOM 2395 CB GLU A 158 -1.424 3.440 13.964 1.00 25.00 C ATOM 2396 CG GLU A 158 -1.300 4.367 15.144 1.00 25.00 C ATOM 2397 CD GLU A 158 -0.678 3.612 16.334 1.00 25.00 C ATOM 2398 OE1 GLU A 158 0.419 3.059 16.241 1.00 25.00 O ATOM 2399 OE2 GLU A 158 -1.333 3.559 17.439 1.00 25.00 O1- ATOM 0 H GLU A 158 -2.300 2.144 12.020 1.00 25.00 H new ATOM 0 HA GLU A 158 -3.030 4.673 13.134 1.00 25.00 H new ATOM 0 HB2 GLU A 158 -1.935 2.529 14.276 1.00 25.00 H new ATOM 0 HB3 GLU A 158 -0.428 3.148 13.631 1.00 25.00 H new ATOM 0 HG2 GLU A 158 -0.681 5.225 14.881 1.00 25.00 H new ATOM 0 HG3 GLU A 158 -2.281 4.754 15.419 1.00 25.00 H new ATOM 2406 N ASN A 159 -0.525 4.385 10.958 1.00 25.00 N ATOM 2407 CA ASN A 159 0.292 5.186 10.017 1.00 25.00 C ATOM 2408 C ASN A 159 -0.605 5.864 8.999 1.00 25.00 C ATOM 2409 O ASN A 159 -1.702 5.325 8.650 1.00 25.00 O ATOM 2410 CB ASN A 159 1.432 4.374 9.342 1.00 25.00 C ATOM 2411 CG ASN A 159 2.583 4.065 10.276 1.00 25.00 C ATOM 2412 OD1 ASN A 159 2.772 4.644 11.357 1.00 25.00 O ATOM 2413 ND2 ASN A 159 3.435 3.188 9.776 1.00 25.00 N ATOM 0 H ASN A 159 -0.567 3.391 10.732 1.00 25.00 H new ATOM 0 HA ASN A 159 0.801 5.952 10.602 1.00 25.00 H new ATOM 0 HB2 ASN A 159 1.024 3.439 8.958 1.00 25.00 H new ATOM 0 HB3 ASN A 159 1.809 4.933 8.485 1.00 25.00 H new ATOM 0 HD21 ASN A 159 4.291 2.962 10.283 1.00 25.00 H new ATOM 0 HD22 ASN A 159 3.237 2.737 8.883 1.00 25.00 H new ATOM 2420 N ALA A 160 -0.122 6.974 8.494 1.00 25.00 N ATOM 2421 CA ALA A 160 -0.826 7.797 7.465 1.00 25.00 C ATOM 2422 C ALA A 160 0.198 8.035 6.366 1.00 25.00 C ATOM 2423 O ALA A 160 1.325 8.211 6.647 1.00 25.00 O ATOM 2424 CB ALA A 160 -1.359 9.075 8.159 1.00 25.00 C ATOM 0 H ALA A 160 0.781 7.360 8.771 1.00 25.00 H new ATOM 0 HA ALA A 160 -1.699 7.327 7.013 1.00 25.00 H new ATOM 0 HB1 ALA A 160 -1.879 9.696 7.429 1.00 25.00 H new ATOM 0 HB2 ALA A 160 -2.049 8.796 8.955 1.00 25.00 H new ATOM 0 HB3 ALA A 160 -0.525 9.634 8.582 1.00 25.00 H new ATOM 2430 N PHE A 161 -0.268 8.126 5.147 1.00 25.00 N ATOM 2431 CA PHE A 161 0.655 7.881 4.039 1.00 25.00 C ATOM 2432 C PHE A 161 0.769 9.048 3.138 1.00 25.00 C ATOM 2433 O PHE A 161 -0.250 9.619 2.821 1.00 25.00 O ATOM 2434 CB PHE A 161 0.188 6.618 3.269 1.00 25.00 C ATOM 2435 CG PHE A 161 -0.065 5.490 4.141 1.00 25.00 C ATOM 2436 CD1 PHE A 161 -1.356 5.171 4.546 1.00 50.00 C ATOM 2437 CD2 PHE A 161 1.041 4.784 4.712 1.00 50.00 C ATOM 2438 CE1 PHE A 161 -1.597 4.146 5.488 1.00 25.00 C ATOM 2439 CE2 PHE A 161 0.823 3.785 5.630 1.00 25.00 C ATOM 2440 CZ PHE A 161 -0.483 3.443 6.039 1.00 25.00 C ATOM 0 H PHE A 161 -1.228 8.355 4.890 1.00 25.00 H new ATOM 0 HA PHE A 161 1.653 7.715 4.445 1.00 25.00 H new ATOM 0 HB2 PHE A 161 -0.720 6.852 2.713 1.00 25.00 H new ATOM 0 HB3 PHE A 161 0.948 6.343 2.538 1.00 25.00 H new ATOM 0 HD1 PHE A 161 -2.191 5.717 4.133 1.00 50.00 H new ATOM 0 HD2 PHE A 161 2.050 5.037 4.421 1.00 50.00 H new ATOM 0 HE1 PHE A 161 -2.605 3.899 5.786 1.00 25.00 H new ATOM 0 HE2 PHE A 161 1.666 3.253 6.045 1.00 25.00 H new ATOM 0 HZ PHE A 161 -0.639 2.656 6.762 1.00 25.00 H new ATOM 2450 N TYR A 162 1.971 9.399 2.698 1.00 25.00 N ATOM 2451 CA TYR A 162 2.321 10.642 2.000 1.00 25.00 C ATOM 2452 C TYR A 162 3.113 10.448 0.667 1.00 25.00 C ATOM 2453 O TYR A 162 3.859 9.482 0.505 1.00 25.00 O ATOM 2454 CB TYR A 162 3.215 11.518 2.876 1.00 25.00 C ATOM 2455 CG TYR A 162 2.620 11.966 4.126 1.00 25.00 C ATOM 2456 CD1 TYR A 162 2.282 11.088 5.175 1.00 50.00 C ATOM 2457 CD2 TYR A 162 2.485 13.358 4.352 1.00 50.00 C ATOM 2458 CE1 TYR A 162 1.863 11.539 6.434 1.00 25.00 C ATOM 2459 CE2 TYR A 162 2.025 13.832 5.622 1.00 25.00 C ATOM 2460 CZ TYR A 162 1.722 12.887 6.673 1.00 25.00 C ATOM 2461 OH TYR A 162 1.251 13.462 7.819 1.00 25.00 O ATOM 0 H TYR A 162 2.780 8.791 2.824 1.00 25.00 H new ATOM 0 HA TYR A 162 1.354 11.093 1.778 1.00 25.00 H new ATOM 0 HB2 TYR A 162 4.125 10.964 3.105 1.00 25.00 H new ATOM 0 HB3 TYR A 162 3.512 12.395 2.300 1.00 25.00 H new ATOM 0 HD1 TYR A 162 2.349 10.024 5.002 1.00 50.00 H new ATOM 0 HD2 TYR A 162 2.729 14.060 3.568 1.00 50.00 H new ATOM 0 HE1 TYR A 162 1.650 10.827 7.218 1.00 25.00 H new ATOM 0 HE2 TYR A 162 1.905 14.891 5.794 1.00 25.00 H new ATOM 0 HH TYR A 162 1.256 14.437 7.722 1.00 25.00 H new ATOM 2471 N GLN A 163 2.890 11.358 -0.279 1.00 25.00 N ATOM 2472 CA GLN A 163 3.600 11.390 -1.618 1.00 25.00 C ATOM 2473 C GLN A 163 3.900 12.858 -1.895 1.00 25.00 C ATOM 2474 O GLN A 163 3.087 13.717 -1.548 1.00 25.00 O ATOM 2475 CB GLN A 163 2.728 10.866 -2.729 1.00 25.00 C ATOM 2476 CG GLN A 163 2.204 9.395 -2.592 1.00 25.00 C ATOM 2477 CD GLN A 163 1.619 8.921 -3.853 1.00 25.00 C ATOM 2478 OE1 GLN A 163 1.841 7.679 -4.233 1.00 25.00 O flip ATOM 2479 NE2 GLN A 163 0.834 9.609 -4.505 1.00 25.00 N flip ATOM 0 H GLN A 163 2.212 12.112 -0.167 1.00 25.00 H new ATOM 0 HA GLN A 163 4.493 10.766 -1.580 1.00 25.00 H new ATOM 0 HB2 GLN A 163 1.865 11.525 -2.821 1.00 25.00 H new ATOM 0 HB3 GLN A 163 3.287 10.940 -3.662 1.00 25.00 H new ATOM 0 HG2 GLN A 163 3.024 8.740 -2.299 1.00 25.00 H new ATOM 0 HG3 GLN A 163 1.457 9.344 -1.800 1.00 25.00 H new ATOM 0 HE21 GLN A 163 0.648 10.573 -4.227 1.00 25.00 H new ATOM 0 HE22 GLN A 163 0.369 9.215 -5.323 1.00 25.00 H new ATOM 2488 N VAL A 164 5.140 13.188 -2.374 1.00 25.00 N ATOM 2489 CA VAL A 164 5.628 14.545 -2.478 1.00 25.00 C ATOM 2490 C VAL A 164 6.501 14.815 -3.705 1.00 25.00 C ATOM 2491 O VAL A 164 7.424 14.014 -3.980 1.00 25.00 O ATOM 2492 CB VAL A 164 6.393 14.912 -1.151 1.00 25.00 C ATOM 2493 CG1 VAL A 164 7.474 13.828 -0.817 1.00 75.00 C ATOM 2494 CG2 VAL A 164 6.927 16.340 -1.133 1.00 75.00 C ATOM 0 H VAL A 164 5.812 12.491 -2.694 1.00 25.00 H new ATOM 0 HA VAL A 164 4.757 15.186 -2.614 1.00 25.00 H new ATOM 0 HB VAL A 164 5.665 14.897 -0.340 1.00 25.00 H new ATOM 0 HG11 VAL A 164 7.991 14.101 0.103 1.00 75.00 H new ATOM 0 HG12 VAL A 164 6.991 12.860 -0.688 1.00 75.00 H new ATOM 0 HG13 VAL A 164 8.194 13.768 -1.633 1.00 75.00 H new ATOM 0 HG21 VAL A 164 7.442 16.524 -0.190 1.00 75.00 H new ATOM 0 HG22 VAL A 164 7.623 16.479 -1.960 1.00 75.00 H new ATOM 0 HG23 VAL A 164 6.098 17.040 -1.236 1.00 75.00 H new ATOM 2504 N ILE A 165 6.191 15.891 -4.425 1.00 25.00 N ATOM 2505 CA ILE A 165 6.892 16.263 -5.641 1.00 25.00 C ATOM 2506 C ILE A 165 7.321 17.765 -5.623 1.00 25.00 C ATOM 2507 O ILE A 165 6.423 18.667 -5.596 1.00 25.00 O ATOM 2508 CB ILE A 165 6.101 15.840 -6.939 1.00 25.00 C ATOM 2509 CG1 ILE A 165 5.659 14.341 -6.801 1.00 25.00 C ATOM 2510 CG2 ILE A 165 6.964 16.030 -8.190 1.00 25.00 C ATOM 2511 CD1 ILE A 165 4.751 13.795 -7.979 1.00 25.00 C ATOM 0 H ILE A 165 5.438 16.532 -4.174 1.00 25.00 H new ATOM 0 HA ILE A 165 7.820 15.691 -5.675 1.00 25.00 H new ATOM 0 HB ILE A 165 5.220 16.474 -7.045 1.00 25.00 H new ATOM 0 HG12 ILE A 165 6.552 13.720 -6.734 1.00 25.00 H new ATOM 0 HG13 ILE A 165 5.118 14.223 -5.862 1.00 25.00 H new ATOM 0 HG21 ILE A 165 6.397 15.732 -9.072 1.00 25.00 H new ATOM 0 HG22 ILE A 165 7.249 17.078 -8.279 1.00 25.00 H new ATOM 0 HG23 ILE A 165 7.861 15.415 -8.110 1.00 25.00 H new ATOM 0 HD11 ILE A 165 4.499 12.751 -7.791 1.00 25.00 H new ATOM 0 HD12 ILE A 165 3.836 14.384 -8.036 1.00 25.00 H new ATOM 0 HD13 ILE A 165 5.292 13.873 -8.922 1.00 25.00 H new ATOM 2523 N ASP A 166 8.611 18.017 -5.795 1.00 25.00 N ATOM 2524 CA ASP A 166 9.095 19.407 -6.003 1.00 25.00 C ATOM 2525 C ASP A 166 8.738 19.797 -7.450 1.00 25.00 C ATOM 2526 O ASP A 166 8.999 19.046 -8.351 1.00 25.00 O ATOM 2527 CB ASP A 166 10.606 19.515 -5.811 1.00 25.00 C ATOM 2528 CG ASP A 166 11.104 21.022 -5.780 1.00 25.00 C ATOM 2529 OD1 ASP A 166 12.235 21.332 -6.106 1.00 25.00 O ATOM 2530 OD2 ASP A 166 10.298 21.888 -5.458 1.00 25.00 O1- ATOM 0 H ASP A 166 9.341 17.305 -5.798 1.00 25.00 H new ATOM 0 HA ASP A 166 8.627 20.069 -5.274 1.00 25.00 H new ATOM 0 HB2 ASP A 166 10.888 19.023 -4.880 1.00 25.00 H new ATOM 0 HB3 ASP A 166 11.111 18.984 -6.618 1.00 25.00 H new ATOM 2535 N VAL A 167 7.985 20.915 -7.715 1.00 25.00 N ATOM 2536 CA VAL A 167 7.631 21.230 -9.081 1.00 25.00 C ATOM 2537 C VAL A 167 8.119 22.593 -9.414 1.00 25.00 C ATOM 2538 O VAL A 167 8.056 23.604 -8.646 1.00 25.00 O ATOM 2539 CB VAL A 167 6.076 21.072 -9.408 1.00 25.00 C ATOM 2540 CG1 VAL A 167 5.743 19.570 -9.491 1.00 50.00 C ATOM 2541 CG2 VAL A 167 5.226 21.737 -8.422 1.00 50.00 C ATOM 0 H VAL A 167 7.639 21.568 -7.012 1.00 25.00 H new ATOM 0 HA VAL A 167 8.123 20.492 -9.715 1.00 25.00 H new ATOM 0 HB VAL A 167 5.872 21.559 -10.362 1.00 25.00 H new ATOM 0 HG11 VAL A 167 4.684 19.444 -9.714 1.00 50.00 H new ATOM 0 HG12 VAL A 167 6.337 19.109 -10.280 1.00 50.00 H new ATOM 0 HG13 VAL A 167 5.972 19.093 -8.538 1.00 50.00 H new ATOM 0 HG21 VAL A 167 4.179 21.599 -8.692 1.00 50.00 H new ATOM 0 HG22 VAL A 167 5.407 21.307 -7.437 1.00 50.00 H new ATOM 0 HG23 VAL A 167 5.458 22.802 -8.401 1.00 50.00 H new ATOM 2551 N ASP A 168 8.639 22.717 -10.643 1.00 25.00 N ATOM 2552 CA ASP A 168 9.259 23.917 -11.134 1.00 25.00 C ATOM 2553 C ASP A 168 8.371 24.302 -12.278 1.00 25.00 C ATOM 2554 O ASP A 168 7.921 23.423 -13.063 1.00 25.00 O ATOM 2555 CB ASP A 168 10.637 23.609 -11.693 1.00 25.00 C ATOM 2556 CG ASP A 168 11.432 24.843 -12.109 1.00 25.00 C ATOM 2557 OD1 ASP A 168 10.861 25.932 -12.087 1.00 25.00 O ATOM 2558 OD2 ASP A 168 12.667 24.714 -12.348 1.00 25.00 O1- ATOM 0 H ASP A 168 8.631 21.958 -11.325 1.00 25.00 H new ATOM 0 HA ASP A 168 9.373 24.679 -10.363 1.00 25.00 H new ATOM 0 HB2 ASP A 168 11.206 23.059 -10.944 1.00 25.00 H new ATOM 0 HB3 ASP A 168 10.528 22.952 -12.556 1.00 25.00 H new ATOM 2563 N LEU A 169 7.823 25.492 -12.186 1.00 25.00 N ATOM 2564 CA LEU A 169 6.628 25.860 -12.923 1.00 25.00 C ATOM 2565 C LEU A 169 6.894 27.214 -13.605 1.00 25.00 C ATOM 2566 O LEU A 169 7.204 28.188 -12.956 1.00 25.00 O ATOM 2567 CB LEU A 169 5.529 26.013 -11.873 1.00 25.00 C ATOM 2568 CG LEU A 169 4.977 24.691 -11.373 1.00 25.00 C ATOM 2569 CD1 LEU A 169 4.039 24.831 -10.219 1.00 50.00 C ATOM 2570 CD2 LEU A 169 4.274 23.960 -12.542 1.00 50.00 C ATOM 0 H LEU A 169 8.193 26.238 -11.596 1.00 25.00 H new ATOM 0 HA LEU A 169 6.349 25.128 -13.681 1.00 25.00 H new ATOM 0 HB2 LEU A 169 5.923 26.576 -11.027 1.00 25.00 H new ATOM 0 HB3 LEU A 169 4.714 26.601 -12.295 1.00 25.00 H new ATOM 0 HG LEU A 169 5.823 24.111 -11.005 1.00 25.00 H new ATOM 0 HD11 LEU A 169 3.685 23.846 -9.916 1.00 50.00 H new ATOM 0 HD12 LEU A 169 4.557 25.303 -9.384 1.00 50.00 H new ATOM 0 HD13 LEU A 169 3.189 25.447 -10.513 1.00 50.00 H new ATOM 0 HD21 LEU A 169 3.875 23.009 -12.189 1.00 50.00 H new ATOM 0 HD22 LEU A 169 3.459 24.578 -12.920 1.00 50.00 H new ATOM 0 HD23 LEU A 169 4.992 23.778 -13.342 1.00 50.00 H new ATOM 2582 N VAL A 170 6.799 27.213 -14.898 1.00 25.00 N ATOM 2583 CA VAL A 170 7.150 28.395 -15.702 1.00 25.00 C ATOM 2584 C VAL A 170 6.101 28.928 -16.669 1.00 25.00 C ATOM 2585 O VAL A 170 5.017 28.329 -16.863 1.00 25.00 O ATOM 2586 CB VAL A 170 8.478 27.946 -16.525 1.00 25.00 C ATOM 2587 CG1 VAL A 170 9.567 27.487 -15.693 1.00 50.00 C ATOM 2588 CG2 VAL A 170 8.073 26.846 -17.603 1.00 50.00 C ATOM 0 H VAL A 170 6.481 26.412 -15.444 1.00 25.00 H new ATOM 0 HA VAL A 170 7.277 29.234 -15.018 1.00 25.00 H new ATOM 0 HB VAL A 170 8.865 28.838 -17.018 1.00 25.00 H new ATOM 0 HG11 VAL A 170 10.412 27.207 -16.322 1.00 50.00 H new ATOM 0 HG12 VAL A 170 9.868 28.285 -15.014 1.00 50.00 H new ATOM 0 HG13 VAL A 170 9.243 26.622 -15.115 1.00 50.00 H new ATOM 0 HG21 VAL A 170 8.958 26.539 -18.160 1.00 50.00 H new ATOM 0 HG22 VAL A 170 7.645 25.981 -17.097 1.00 50.00 H new ATOM 0 HG23 VAL A 170 7.338 27.264 -18.291 1.00 50.00 H new ATOM 2598 N ASN A 171 6.346 30.076 -17.251 1.00 25.00 N ATOM 2599 CA ASN A 171 5.417 30.656 -18.219 1.00 25.00 C ATOM 2600 C ASN A 171 5.508 29.889 -19.540 1.00 25.00 C ATOM 2601 O ASN A 171 6.568 29.256 -19.781 1.00 25.00 O ATOM 2602 CB ASN A 171 5.781 32.135 -18.462 1.00 25.00 C ATOM 2603 CG ASN A 171 5.465 32.948 -17.240 1.00 25.00 C ATOM 2604 OD1 ASN A 171 6.125 32.927 -16.237 1.00 25.00 O ATOM 2605 ND2 ASN A 171 4.357 33.591 -17.337 1.00 25.00 N ATOM 0 H ASN A 171 7.180 30.637 -17.078 1.00 25.00 H new ATOM 0 HA ASN A 171 4.402 30.590 -17.828 1.00 25.00 H new ATOM 0 HB2 ASN A 171 6.840 32.223 -18.703 1.00 25.00 H new ATOM 0 HB3 ASN A 171 5.226 32.519 -19.318 1.00 25.00 H new ATOM 0 HD21 ASN A 171 4.000 34.116 -16.538 1.00 25.00 H new ATOM 0 HD22 ASN A 171 3.834 33.577 -18.213 1.00 25.00 H new ATOM 2612 N LYS A 172 4.473 30.017 -20.332 1.00 25.00 N ATOM 2613 CA LYS A 172 4.325 29.340 -21.606 1.00 25.00 C ATOM 2614 C LYS A 172 5.150 30.063 -22.663 1.00 25.00 C ATOM 2615 O LYS A 172 5.289 31.314 -22.648 1.00 25.00 O ATOM 2616 CB LYS A 172 2.903 29.209 -22.033 1.00 25.00 C ATOM 2617 CG LYS A 172 2.003 28.365 -21.119 1.00 25.00 C ATOM 2618 CD LYS A 172 0.525 28.442 -21.413 1.00 25.00 C ATOM 2619 CE LYS A 172 -0.268 27.671 -20.485 1.00 25.00 C ATOM 2620 NZ LYS A 172 -1.757 27.667 -20.984 1.00 25.00 N1+ ATOM 2621 OXT LYS A 172 5.758 29.348 -23.484 1.00 25.00 O1- ATOM 0 H LYS A 172 3.679 30.616 -20.104 1.00 25.00 H new ATOM 0 HA LYS A 172 4.695 28.322 -21.484 1.00 25.00 H new ATOM 0 HB2 LYS A 172 2.474 30.208 -22.111 1.00 25.00 H new ATOM 0 HB3 LYS A 172 2.883 28.774 -23.032 1.00 25.00 H new ATOM 0 HG2 LYS A 172 2.316 27.323 -21.191 1.00 25.00 H new ATOM 0 HG3 LYS A 172 2.167 28.677 -20.088 1.00 25.00 H new ATOM 0 HD2 LYS A 172 0.206 29.484 -21.379 1.00 25.00 H new ATOM 0 HD3 LYS A 172 0.341 28.085 -22.426 1.00 25.00 H new ATOM 0 HE2 LYS A 172 0.112 26.651 -20.419 1.00 25.00 H new ATOM 0 HE3 LYS A 172 -0.205 28.100 -19.485 1.00 25.00 H new ATOM 0 HZ1 LYS A 172 -2.342 27.115 -20.325 1.00 25.00 H new ATOM 0 HZ2 LYS A 172 -2.111 28.644 -21.027 1.00 25.00 H new ATOM 0 HZ3 LYS A 172 -1.805 27.240 -21.931 1.00 25.00 H new