USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=31 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 157 THR OG1 : rot 180:sc= 0.0802 USER MOD Set 1.2: A 159 ASN : amide:sc= 0 K(o=0.08,f=-1.1) USER MOD Set 2.1: A 83 THR OG1 : rot 180:sc= -0.0212 USER MOD Set 2.2: A 133 SER OG : rot 180:sc= -0.495 USER MOD Set 3.1: A 126 SER OG : rot -69:sc= 0.924 USER MOD Set 3.2: A 129 SER OG : rot 67:sc= 0.5 USER MOD Set 4.1: A 81 THR OG1 : rot -82:sc= 0.731 USER MOD Set 4.2: A 135 HIS : no HD1:sc= 0.657 K(o=1.4,f=-2.1) USER MOD Set 5.1: A 64 GLN : amide:sc= 0.938 K(o=1.7,f=1) USER MOD Set 5.2: A 145 TYR OH : rot 30:sc= 0.807 USER MOD Set 6.1: A 1 HIS N :NH3+ -178:sc=-0.00589 (180deg=-0.0177) USER MOD Set 6.2: A 90 HIS : no HE2:sc= 0.492 K(o=0.49,f=-2.9!) USER MOD Single : A 1 HIS : no HD1:sc= 0.352 K(o=0.35,f=-2.8!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 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 33 GLN : amide:sc= -0.0631 K(o=-0.063,f=-3.2!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.0447 X(o=-0.045,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS :FLIP no HE2:sc= 0.154 F(o=-0.98,f=0.15) USER MOD Single : A 75 MET CE :methyl 175:sc= 0 (180deg=-0.0397) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00296 USER MOD Single : A 80 HIS : no HE2:sc= -1.55 K(o=-1.6,f=-3.3) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc=-0.00365 K(o=-0.0036,f=-0.61) USER MOD Single : A 92 THR OG1 : rot -105:sc= 0.244 USER MOD Single : A 93 SER OG : rot -64:sc= 0.148 USER MOD Single : A 94 GLN :FLIP amide:sc= -0.0284 F(o=-0.79,f=-0.028) USER MOD Single : A 96 HIS : no HE2:sc= -1.11 K(o=-1.1,f=-5.8!) USER MOD Single : A 97 TYR OH : rot 154:sc= 0.405 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 113:sc= 0.325 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (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 :FLIP no HE2:sc= 0.131 F(o=-0.64,f=0.13) USER MOD Single : A 131 ASN : amide:sc= -0.0159 K(o=-0.016,f=-1.1) USER MOD Single : A 134 HIS : no HD1:sc= 0.226 K(o=0.23,f=-2.2!) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 146 HIS :FLIP no HD1:sc= -0.602 F(o=-1.4,f=-0.6) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 163 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 171 ASN : amide:sc= -0.0492 K(o=-0.049,f=-3.2!) USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -1.720 5.689 -1.727 1.00 25.00 N ATOM 2 CA HIS A 1 -0.748 6.580 -2.429 1.00 25.00 C ATOM 3 C HIS A 1 -0.214 5.911 -3.672 1.00 25.00 C ATOM 4 O HIS A 1 -0.144 6.474 -4.766 1.00 25.00 O ATOM 5 CB HIS A 1 0.434 7.020 -1.525 1.00 0.00 C ATOM 6 CG HIS A 1 1.155 5.864 -0.914 1.00 0.00 C ATOM 7 ND1 HIS A 1 0.742 5.245 0.248 1.00 0.00 N ATOM 8 CD2 HIS A 1 2.244 5.208 -1.384 1.00 0.00 C ATOM 9 CE1 HIS A 1 1.786 4.391 0.554 1.00 0.00 C ATOM 10 NE2 HIS A 1 2.706 4.317 -0.464 1.00 0.00 N ATOM 0 H1 HIS A 1 -2.102 6.180 -0.893 1.00 25.00 H new ATOM 0 H2 HIS A 1 -2.498 5.447 -2.373 1.00 25.00 H new ATOM 0 H3 HIS A 1 -1.238 4.818 -1.425 1.00 25.00 H new ATOM 0 HA HIS A 1 -1.301 7.479 -2.701 1.00 25.00 H new ATOM 0 HB2 HIS A 1 1.136 7.610 -2.114 1.00 0.00 H new ATOM 0 HB3 HIS A 1 0.058 7.668 -0.733 1.00 0.00 H new ATOM 0 HD2 HIS A 1 2.685 5.370 -2.356 1.00 0.00 H new ATOM 0 HE1 HIS A 1 1.868 3.847 1.483 1.00 0.00 H new ATOM 0 HE2 HIS A 1 3.540 3.732 -0.518 1.00 0.00 H new ATOM 17 N GLY A 2 0.121 4.610 -3.562 1.00 25.00 N ATOM 18 CA GLY A 2 0.638 3.930 -4.716 1.00 25.00 C ATOM 19 C GLY A 2 1.875 4.521 -5.386 1.00 25.00 C ATOM 20 O GLY A 2 2.730 5.098 -4.708 1.00 25.00 O ATOM 0 H GLY A 2 0.040 4.048 -2.715 1.00 25.00 H new ATOM 0 HA2 GLY A 2 0.869 2.905 -4.427 1.00 25.00 H new ATOM 0 HA3 GLY A 2 -0.156 3.880 -5.461 1.00 25.00 H new ATOM 24 N PHE A 3 1.997 4.352 -6.676 1.00 25.00 N ATOM 25 CA PHE A 3 3.128 4.840 -7.495 1.00 25.00 C ATOM 26 C PHE A 3 2.734 6.192 -8.129 1.00 25.00 C ATOM 27 O PHE A 3 1.675 6.271 -8.701 1.00 25.00 O ATOM 28 CB PHE A 3 3.280 3.848 -8.599 1.00 25.00 C ATOM 29 CG PHE A 3 3.739 2.472 -8.120 1.00 25.00 C ATOM 30 CD1 PHE A 3 5.099 2.198 -8.001 1.00 50.00 C ATOM 31 CD2 PHE A 3 2.841 1.463 -7.704 1.00 50.00 C ATOM 32 CE1 PHE A 3 5.579 0.902 -7.534 1.00 25.00 C ATOM 33 CE2 PHE A 3 3.285 0.247 -7.283 1.00 25.00 C ATOM 34 CZ PHE A 3 4.644 -0.065 -7.245 1.00 25.00 C ATOM 0 H PHE A 3 1.297 3.855 -7.227 1.00 25.00 H new ATOM 0 HA PHE A 3 4.036 4.958 -6.904 1.00 25.00 H new ATOM 0 HB2 PHE A 3 2.327 3.744 -9.118 1.00 25.00 H new ATOM 0 HB3 PHE A 3 3.998 4.230 -9.324 1.00 25.00 H new ATOM 0 HD1 PHE A 3 5.816 2.963 -8.261 1.00 50.00 H new ATOM 0 HD2 PHE A 3 1.779 1.661 -7.720 1.00 50.00 H new ATOM 0 HE1 PHE A 3 6.635 0.708 -7.419 1.00 25.00 H new ATOM 0 HE2 PHE A 3 2.566 -0.496 -6.970 1.00 25.00 H new ATOM 0 HZ PHE A 3 4.962 -1.065 -6.989 1.00 25.00 H new ATOM 44 N ILE A 4 3.573 7.198 -8.092 1.00 25.00 N ATOM 45 CA ILE A 4 3.349 8.426 -8.865 1.00 25.00 C ATOM 46 C ILE A 4 3.868 8.200 -10.284 1.00 25.00 C ATOM 47 O ILE A 4 5.040 7.901 -10.487 1.00 25.00 O ATOM 48 CB ILE A 4 4.039 9.655 -8.150 1.00 25.00 C ATOM 49 CG1 ILE A 4 3.351 9.864 -6.781 1.00 25.00 C ATOM 50 CG2 ILE A 4 3.934 10.965 -8.967 1.00 25.00 C ATOM 51 CD1 ILE A 4 4.194 9.463 -5.657 1.00 25.00 C ATOM 0 H ILE A 4 4.427 7.204 -7.535 1.00 25.00 H new ATOM 0 HA ILE A 4 2.286 8.662 -8.922 1.00 25.00 H new ATOM 0 HB ILE A 4 5.100 9.427 -8.044 1.00 25.00 H new ATOM 0 HG12 ILE A 4 3.082 10.915 -6.671 1.00 25.00 H new ATOM 0 HG13 ILE A 4 2.423 9.293 -6.755 1.00 25.00 H new ATOM 0 HG21 ILE A 4 4.426 11.772 -8.425 1.00 25.00 H new ATOM 0 HG22 ILE A 4 4.418 10.830 -9.934 1.00 25.00 H new ATOM 0 HG23 ILE A 4 2.884 11.216 -9.118 1.00 25.00 H new ATOM 0 HD11 ILE A 4 3.659 9.632 -4.722 1.00 25.00 H new ATOM 0 HD12 ILE A 4 4.442 8.405 -5.747 1.00 25.00 H new ATOM 0 HD13 ILE A 4 5.111 10.052 -5.662 1.00 25.00 H new ATOM 63 N GLU A 5 2.979 8.337 -11.250 1.00 25.00 N ATOM 64 CA GLU A 5 3.274 8.247 -12.693 1.00 25.00 C ATOM 65 C GLU A 5 3.449 9.625 -13.353 1.00 25.00 C ATOM 66 O GLU A 5 4.307 9.749 -14.296 1.00 25.00 O ATOM 67 CB GLU A 5 2.131 7.462 -13.397 1.00 25.00 C ATOM 68 CG GLU A 5 2.464 6.989 -14.739 1.00 25.00 C ATOM 69 CD GLU A 5 3.655 5.983 -14.774 1.00 25.00 C ATOM 70 OE1 GLU A 5 4.496 6.178 -15.679 1.00 25.00 O ATOM 71 OE2 GLU A 5 3.730 5.108 -13.945 1.00 25.00 O1- ATOM 0 H GLU A 5 1.994 8.521 -11.059 1.00 25.00 H new ATOM 0 HA GLU A 5 4.224 7.724 -12.804 1.00 25.00 H new ATOM 0 HB2 GLU A 5 1.860 6.606 -12.779 1.00 25.00 H new ATOM 0 HB3 GLU A 5 1.251 8.102 -13.458 1.00 25.00 H new ATOM 0 HG2 GLU A 5 1.586 6.513 -15.175 1.00 25.00 H new ATOM 0 HG3 GLU A 5 2.706 7.847 -15.367 1.00 25.00 H new ATOM 78 N LYS A 6 2.771 10.636 -12.818 1.00 25.00 N ATOM 79 CA LYS A 6 2.796 11.950 -13.412 1.00 25.00 C ATOM 80 C LYS A 6 2.515 12.794 -12.132 1.00 25.00 C ATOM 81 O LYS A 6 1.845 12.221 -11.268 1.00 25.00 O ATOM 82 CB LYS A 6 1.625 12.083 -14.405 1.00 25.00 C ATOM 83 CG LYS A 6 1.976 12.965 -15.626 1.00 25.00 C ATOM 84 CD LYS A 6 0.922 12.839 -16.677 1.00 25.00 C ATOM 85 CE LYS A 6 1.417 13.594 -17.959 1.00 25.00 C ATOM 86 NZ LYS A 6 0.304 13.762 -18.975 1.00 25.00 N1+ ATOM 0 H LYS A 6 2.201 10.561 -11.975 1.00 25.00 H new ATOM 0 HA LYS A 6 3.696 12.216 -13.966 1.00 25.00 H new ATOM 0 HB2 LYS A 6 1.332 11.091 -14.750 1.00 25.00 H new ATOM 0 HB3 LYS A 6 0.764 12.508 -13.890 1.00 25.00 H new ATOM 0 HG2 LYS A 6 2.068 14.006 -15.317 1.00 25.00 H new ATOM 0 HG3 LYS A 6 2.942 12.667 -16.033 1.00 25.00 H new ATOM 0 HD2 LYS A 6 0.734 11.789 -16.903 1.00 25.00 H new ATOM 0 HD3 LYS A 6 -0.018 13.263 -16.325 1.00 25.00 H new ATOM 0 HE2 LYS A 6 1.804 14.573 -17.678 1.00 25.00 H new ATOM 0 HE3 LYS A 6 2.242 13.043 -18.410 1.00 25.00 H new ATOM 0 HZ1 LYS A 6 0.668 14.265 -19.809 1.00 25.00 H new ATOM 0 HZ2 LYS A 6 -0.048 12.826 -19.262 1.00 25.00 H new ATOM 0 HZ3 LYS A 6 -0.472 14.310 -18.552 1.00 25.00 H new ATOM 100 N PRO A 7 3.041 13.985 -11.981 1.00 25.00 N ATOM 101 CA PRO A 7 3.671 14.900 -12.958 1.00 25.00 C ATOM 102 C PRO A 7 4.930 14.380 -13.633 1.00 25.00 C ATOM 103 O PRO A 7 5.789 13.818 -12.963 1.00 25.00 O ATOM 104 CB PRO A 7 3.865 16.193 -12.183 1.00 25.00 C ATOM 105 CG PRO A 7 3.938 15.756 -10.770 1.00 25.00 C ATOM 106 CD PRO A 7 3.013 14.618 -10.643 1.00 25.00 C ATOM 0 HA PRO A 7 3.033 15.032 -13.832 1.00 25.00 H new ATOM 0 HB2 PRO A 7 4.775 16.709 -12.489 1.00 25.00 H new ATOM 0 HB3 PRO A 7 3.037 16.884 -12.345 1.00 25.00 H new ATOM 0 HG2 PRO A 7 4.954 15.463 -10.505 1.00 25.00 H new ATOM 0 HG3 PRO A 7 3.654 16.565 -10.097 1.00 25.00 H new ATOM 0 HD2 PRO A 7 3.337 13.925 -9.866 1.00 25.00 H new ATOM 0 HD3 PRO A 7 2.008 14.947 -10.378 1.00 25.00 H new ATOM 114 N GLY A 8 5.002 14.477 -14.956 1.00 25.00 N ATOM 115 CA GLY A 8 6.150 14.101 -15.749 1.00 25.00 C ATOM 116 C GLY A 8 6.236 12.699 -16.267 1.00 25.00 C ATOM 117 O GLY A 8 5.423 11.883 -15.960 1.00 25.00 O ATOM 0 H GLY A 8 4.230 14.834 -15.519 1.00 25.00 H new ATOM 0 HA2 GLY A 8 6.195 14.774 -16.606 1.00 25.00 H new ATOM 0 HA3 GLY A 8 7.041 14.288 -15.150 1.00 25.00 H new ATOM 121 N SER A 9 7.279 12.442 -17.027 1.00 25.00 N ATOM 122 CA SER A 9 7.485 11.132 -17.549 1.00 25.00 C ATOM 123 C SER A 9 8.588 10.532 -16.695 1.00 25.00 C ATOM 124 O SER A 9 9.686 11.117 -16.672 1.00 25.00 O ATOM 125 CB SER A 9 7.779 11.237 -19.080 1.00 25.00 C ATOM 126 OG SER A 9 8.158 9.939 -19.552 1.00 25.00 O ATOM 0 H SER A 9 7.988 13.127 -17.289 1.00 25.00 H new ATOM 0 HA SER A 9 6.622 10.469 -17.492 1.00 25.00 H new ATOM 0 HB2 SER A 9 6.897 11.593 -19.613 1.00 25.00 H new ATOM 0 HB3 SER A 9 8.576 11.957 -19.266 1.00 25.00 H new ATOM 0 HG SER A 9 8.346 9.982 -20.513 1.00 25.00 H new ATOM 132 N ARG A 10 8.361 9.369 -16.105 1.00 25.00 N ATOM 133 CA ARG A 10 9.414 8.645 -15.459 1.00 25.00 C ATOM 134 C ARG A 10 10.512 8.261 -16.507 1.00 25.00 C ATOM 135 O ARG A 10 11.652 8.232 -16.160 1.00 25.00 O ATOM 136 CB ARG A 10 8.961 7.324 -14.790 1.00 25.00 C ATOM 137 CG ARG A 10 8.005 7.472 -13.604 1.00 25.00 C ATOM 138 CD ARG A 10 7.510 6.088 -13.176 1.00 25.00 C ATOM 139 NE ARG A 10 8.618 5.226 -12.666 1.00 25.00 N ATOM 140 CZ ARG A 10 8.784 3.915 -12.795 1.00 25.00 C ATOM 141 NH1 ARG A 10 9.844 3.405 -12.207 1.00 25.00 N1+ ATOM 142 NH2 ARG A 10 7.962 3.153 -13.381 1.00 25.00 N ATOM 0 H ARG A 10 7.448 8.915 -16.067 1.00 25.00 H new ATOM 0 HA ARG A 10 9.783 9.314 -14.682 1.00 25.00 H new ATOM 0 HB2 ARG A 10 8.480 6.703 -15.545 1.00 25.00 H new ATOM 0 HB3 ARG A 10 9.848 6.787 -14.453 1.00 25.00 H new ATOM 0 HG2 ARG A 10 8.512 7.962 -12.773 1.00 25.00 H new ATOM 0 HG3 ARG A 10 7.160 8.104 -13.880 1.00 25.00 H new ATOM 0 HD2 ARG A 10 6.752 6.199 -12.401 1.00 25.00 H new ATOM 0 HD3 ARG A 10 7.031 5.597 -14.023 1.00 25.00 H new ATOM 0 HE ARG A 10 9.349 5.712 -12.146 1.00 25.00 H new ATOM 0 HH11 ARG A 10 10.481 4.011 -11.690 1.00 25.00 H new ATOM 0 HH12 ARG A 10 10.029 2.404 -12.268 1.00 25.00 H new ATOM 0 HH21 ARG A 10 7.111 3.539 -13.789 1.00 25.00 H new ATOM 0 HH22 ARG A 10 8.150 2.153 -13.445 1.00 25.00 H new ATOM 156 N ALA A 11 10.114 7.982 -17.746 1.00 25.00 N ATOM 157 CA ALA A 11 11.151 7.643 -18.704 1.00 25.00 C ATOM 158 C ALA A 11 12.007 8.842 -19.032 1.00 25.00 C ATOM 159 O ALA A 11 13.206 8.738 -19.227 1.00 25.00 O ATOM 160 CB ALA A 11 10.541 7.021 -19.918 1.00 25.00 C ATOM 0 H ALA A 11 9.154 7.983 -18.089 1.00 25.00 H new ATOM 0 HA ALA A 11 11.820 6.906 -18.259 1.00 25.00 H new ATOM 0 HB1 ALA A 11 11.326 6.770 -20.631 1.00 25.00 H new ATOM 0 HB2 ALA A 11 10.006 6.115 -19.633 1.00 25.00 H new ATOM 0 HB3 ALA A 11 9.845 7.724 -20.376 1.00 25.00 H new ATOM 166 N ALA A 12 11.403 10.041 -19.031 1.00 25.00 N ATOM 167 CA ALA A 12 12.169 11.291 -19.381 1.00 25.00 C ATOM 168 C ALA A 12 13.240 11.589 -18.366 1.00 25.00 C ATOM 169 O ALA A 12 14.335 12.090 -18.735 1.00 25.00 O ATOM 170 CB ALA A 12 11.237 12.438 -19.537 1.00 25.00 C ATOM 0 H ALA A 12 10.420 10.191 -18.803 1.00 25.00 H new ATOM 0 HA ALA A 12 12.673 11.124 -20.333 1.00 25.00 H new ATOM 0 HB1 ALA A 12 11.803 13.335 -19.790 1.00 25.00 H new ATOM 0 HB2 ALA A 12 10.524 12.222 -20.333 1.00 25.00 H new ATOM 0 HB3 ALA A 12 10.699 12.600 -18.603 1.00 25.00 H new ATOM 176 N LEU A 13 12.994 11.300 -17.145 1.00 25.00 N ATOM 177 CA LEU A 13 13.999 11.515 -16.117 1.00 25.00 C ATOM 178 C LEU A 13 15.043 10.370 -16.100 1.00 25.00 C ATOM 179 O LEU A 13 16.269 10.579 -15.886 1.00 25.00 O ATOM 180 CB LEU A 13 13.275 11.601 -14.708 1.00 25.00 C ATOM 181 CG LEU A 13 12.861 13.036 -14.312 1.00 25.00 C ATOM 182 CD1 LEU A 13 11.740 13.606 -15.300 1.00 75.00 C ATOM 183 CD2 LEU A 13 12.417 13.181 -12.811 1.00 75.00 C ATOM 0 H LEU A 13 12.112 10.913 -16.809 1.00 25.00 H new ATOM 0 HA LEU A 13 14.528 12.444 -16.331 1.00 25.00 H new ATOM 0 HB2 LEU A 13 12.388 10.968 -14.725 1.00 25.00 H new ATOM 0 HB3 LEU A 13 13.939 11.199 -13.943 1.00 25.00 H new ATOM 0 HG LEU A 13 13.762 13.641 -14.414 1.00 25.00 H new ATOM 0 HD11 LEU A 13 11.468 14.617 -14.997 1.00 75.00 H new ATOM 0 HD12 LEU A 13 12.128 13.624 -16.319 1.00 75.00 H new ATOM 0 HD13 LEU A 13 10.859 12.966 -15.259 1.00 75.00 H new ATOM 0 HD21 LEU A 13 12.142 14.217 -12.611 1.00 75.00 H new ATOM 0 HD22 LEU A 13 11.560 12.535 -12.621 1.00 75.00 H new ATOM 0 HD23 LEU A 13 13.241 12.892 -12.158 1.00 75.00 H new ATOM 398 N MET A 29 13.471 3.270 -8.357 1.00 25.00 N ATOM 399 CA MET A 29 12.574 2.510 -9.145 1.00 25.00 C ATOM 400 C MET A 29 12.283 1.068 -8.637 1.00 25.00 C ATOM 401 O MET A 29 11.329 0.384 -9.018 1.00 25.00 O ATOM 402 CB MET A 29 13.045 2.439 -10.575 1.00 25.00 C ATOM 403 CG MET A 29 14.445 1.813 -10.808 1.00 25.00 C ATOM 404 SD MET A 29 14.969 1.991 -12.509 1.00 25.00 S ATOM 405 CE MET A 29 16.017 0.616 -12.524 1.00 25.00 C ATOM 0 HA MET A 29 11.632 3.052 -9.064 1.00 25.00 H new ATOM 0 HB2 MET A 29 12.315 1.867 -11.147 1.00 25.00 H new ATOM 0 HB3 MET A 29 13.050 3.449 -10.984 1.00 25.00 H new ATOM 0 HG2 MET A 29 15.172 2.290 -10.151 1.00 25.00 H new ATOM 0 HG3 MET A 29 14.421 0.756 -10.543 1.00 25.00 H new ATOM 0 HE1 MET A 29 16.473 0.517 -13.509 1.00 25.00 H new ATOM 0 HE2 MET A 29 16.797 0.745 -11.774 1.00 25.00 H new ATOM 0 HE3 MET A 29 15.442 -0.282 -12.299 1.00 25.00 H new ATOM 415 N TYR A 30 13.187 0.553 -7.854 1.00 25.00 N ATOM 416 CA TYR A 30 12.895 -0.731 -7.205 1.00 25.00 C ATOM 417 C TYR A 30 11.692 -0.725 -6.234 1.00 25.00 C ATOM 418 O TYR A 30 10.877 -1.612 -6.185 1.00 25.00 O ATOM 419 CB TYR A 30 14.164 -1.137 -6.408 1.00 25.00 C ATOM 420 CG TYR A 30 14.073 -2.570 -5.884 1.00 25.00 C ATOM 421 CD1 TYR A 30 14.305 -3.622 -6.773 1.00 50.00 C ATOM 422 CD2 TYR A 30 13.799 -2.891 -4.537 1.00 50.00 C ATOM 423 CE1 TYR A 30 14.337 -4.956 -6.321 1.00 25.00 C ATOM 424 CE2 TYR A 30 13.706 -4.181 -4.118 1.00 25.00 C ATOM 425 CZ TYR A 30 13.993 -5.205 -5.006 1.00 25.00 C ATOM 426 OH TYR A 30 13.949 -6.492 -4.685 1.00 25.00 O ATOM 0 H TYR A 30 14.097 0.964 -7.644 1.00 25.00 H new ATOM 0 HA TYR A 30 12.625 -1.430 -7.997 1.00 25.00 H new ATOM 0 HB2 TYR A 30 15.041 -1.039 -7.048 1.00 25.00 H new ATOM 0 HB3 TYR A 30 14.302 -0.452 -5.571 1.00 25.00 H new ATOM 0 HD1 TYR A 30 14.462 -3.410 -7.820 1.00 50.00 H new ATOM 0 HD2 TYR A 30 13.660 -2.093 -3.823 1.00 50.00 H new ATOM 0 HE1 TYR A 30 14.622 -5.760 -6.983 1.00 25.00 H new ATOM 0 HE2 TYR A 30 13.411 -4.405 -3.103 1.00 25.00 H new ATOM 0 HH TYR A 30 13.701 -6.586 -3.742 1.00 25.00 H new ATOM 436 N GLU A 31 11.576 0.340 -5.471 1.00 25.00 N ATOM 437 CA GLU A 31 10.579 0.460 -4.431 1.00 25.00 C ATOM 438 C GLU A 31 9.947 1.769 -4.194 1.00 25.00 C ATOM 439 O GLU A 31 9.883 2.273 -3.071 1.00 25.00 O ATOM 440 CB GLU A 31 11.293 -0.062 -3.173 1.00 25.00 C ATOM 441 CG GLU A 31 12.588 0.566 -2.747 1.00 25.00 C ATOM 442 CD GLU A 31 13.084 -0.131 -1.444 1.00 25.00 C ATOM 443 OE1 GLU A 31 14.245 -0.637 -1.500 1.00 25.00 O ATOM 444 OE2 GLU A 31 12.414 -0.202 -0.403 1.00 25.00 O1- ATOM 0 H GLU A 31 12.180 1.158 -5.557 1.00 25.00 H new ATOM 0 HA GLU A 31 9.701 -0.105 -4.745 1.00 25.00 H new ATOM 0 HB2 GLU A 31 10.596 0.028 -2.340 1.00 25.00 H new ATOM 0 HB3 GLU A 31 11.478 -1.126 -3.320 1.00 25.00 H new ATOM 0 HG2 GLU A 31 13.333 0.464 -3.536 1.00 25.00 H new ATOM 0 HG3 GLU A 31 12.450 1.633 -2.574 1.00 25.00 H new ATOM 451 N PRO A 32 9.494 2.513 -5.224 1.00 25.00 N ATOM 452 CA PRO A 32 9.122 3.920 -4.974 1.00 25.00 C ATOM 453 C PRO A 32 7.849 4.079 -4.085 1.00 25.00 C ATOM 454 O PRO A 32 7.726 4.976 -3.229 1.00 25.00 O ATOM 455 CB PRO A 32 8.989 4.523 -6.395 1.00 25.00 C ATOM 456 CG PRO A 32 8.574 3.371 -7.175 1.00 25.00 C ATOM 457 CD PRO A 32 9.368 2.229 -6.653 1.00 25.00 C ATOM 0 HA PRO A 32 9.867 4.450 -4.381 1.00 25.00 H new ATOM 0 HB2 PRO A 32 8.253 5.326 -6.430 1.00 25.00 H new ATOM 0 HB3 PRO A 32 9.931 4.939 -6.751 1.00 25.00 H new ATOM 0 HG2 PRO A 32 7.505 3.188 -7.066 1.00 25.00 H new ATOM 0 HG3 PRO A 32 8.764 3.528 -8.237 1.00 25.00 H new ATOM 0 HD2 PRO A 32 8.864 1.279 -6.829 1.00 25.00 H new ATOM 0 HD3 PRO A 32 10.343 2.167 -7.136 1.00 25.00 H new ATOM 465 N GLN A 33 6.956 3.083 -4.217 1.00 25.00 N ATOM 466 CA GLN A 33 5.693 3.032 -3.426 1.00 25.00 C ATOM 467 C GLN A 33 5.820 2.557 -1.955 1.00 25.00 C ATOM 468 O GLN A 33 4.868 2.551 -1.176 1.00 25.00 O ATOM 469 CB GLN A 33 4.606 2.116 -4.061 1.00 25.00 C ATOM 470 CG GLN A 33 4.710 0.606 -3.796 1.00 25.00 C ATOM 471 CD GLN A 33 6.039 -0.007 -4.022 1.00 25.00 C ATOM 472 OE1 GLN A 33 6.820 0.369 -4.944 1.00 25.00 O ATOM 473 NE2 GLN A 33 6.345 -1.008 -3.170 1.00 25.00 N ATOM 0 H GLN A 33 7.076 2.300 -4.859 1.00 25.00 H new ATOM 0 HA GLN A 33 5.411 4.085 -3.438 1.00 25.00 H new ATOM 0 HB2 GLN A 33 3.632 2.454 -3.707 1.00 25.00 H new ATOM 0 HB3 GLN A 33 4.624 2.271 -5.140 1.00 25.00 H new ATOM 0 HG2 GLN A 33 4.417 0.418 -2.763 1.00 25.00 H new ATOM 0 HG3 GLN A 33 3.985 0.096 -4.430 1.00 25.00 H new ATOM 0 HE21 GLN A 33 5.684 -1.277 -2.441 1.00 25.00 H new ATOM 0 HE22 GLN A 33 7.237 -1.495 -3.255 1.00 25.00 H new ATOM 482 N SER A 34 7.057 2.228 -1.583 1.00 25.00 N ATOM 483 CA SER A 34 7.384 1.691 -0.285 1.00 25.00 C ATOM 484 C SER A 34 7.630 2.621 0.926 1.00 25.00 C ATOM 485 O SER A 34 8.240 2.294 1.962 1.00 25.00 O ATOM 486 CB SER A 34 8.568 0.715 -0.411 1.00 25.00 C ATOM 487 OG SER A 34 8.483 -0.412 0.465 1.00 25.00 O ATOM 0 H SER A 34 7.866 2.333 -2.195 1.00 25.00 H new ATOM 0 HA SER A 34 6.433 1.231 -0.016 1.00 25.00 H new ATOM 0 HB2 SER A 34 8.626 0.360 -1.440 1.00 25.00 H new ATOM 0 HB3 SER A 34 9.494 1.253 -0.207 1.00 25.00 H new ATOM 0 HG SER A 34 9.264 -0.989 0.332 1.00 25.00 H new ATOM 493 N LEU A 35 7.203 3.846 0.798 1.00 25.00 N ATOM 494 CA LEU A 35 7.467 4.866 1.812 1.00 25.00 C ATOM 495 C LEU A 35 6.502 4.728 2.983 1.00 25.00 C ATOM 496 O LEU A 35 5.294 4.885 2.925 1.00 25.00 O ATOM 497 CB LEU A 35 7.220 6.270 1.277 1.00 25.00 C ATOM 498 CG LEU A 35 8.208 6.809 0.189 1.00 25.00 C ATOM 499 CD1 LEU A 35 7.510 7.884 -0.609 1.00 50.00 C ATOM 500 CD2 LEU A 35 9.445 7.313 0.898 1.00 50.00 C ATOM 0 H LEU A 35 6.664 4.179 -0.002 1.00 25.00 H new ATOM 0 HA LEU A 35 8.507 4.723 2.106 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.213 6.300 0.862 1.00 25.00 H new ATOM 0 HB3 LEU A 35 7.238 6.960 2.120 1.00 25.00 H new ATOM 0 HG LEU A 35 8.513 6.034 -0.514 1.00 25.00 H new ATOM 0 HD11 LEU A 35 8.187 8.269 -1.371 1.00 50.00 H new ATOM 0 HD12 LEU A 35 6.625 7.465 -1.088 1.00 50.00 H new ATOM 0 HD13 LEU A 35 7.213 8.695 0.055 1.00 50.00 H new ATOM 0 HD21 LEU A 35 10.154 7.696 0.164 1.00 50.00 H new ATOM 0 HD22 LEU A 35 9.169 8.111 1.587 1.00 50.00 H new ATOM 0 HD23 LEU A 35 9.904 6.496 1.454 1.00 50.00 H new ATOM 512 N GLU A 36 7.014 4.400 4.135 1.00 25.00 N ATOM 513 CA GLU A 36 6.251 4.285 5.375 1.00 25.00 C ATOM 514 C GLU A 36 6.405 5.551 6.230 1.00 25.00 C ATOM 515 O GLU A 36 7.284 6.308 5.896 1.00 25.00 O ATOM 516 CB GLU A 36 6.701 3.038 6.137 1.00 25.00 C ATOM 517 CG GLU A 36 6.456 1.732 5.372 1.00 25.00 C ATOM 518 CD GLU A 36 4.995 1.354 5.251 1.00 25.00 C ATOM 519 OE1 GLU A 36 4.352 1.232 6.309 1.00 25.00 O ATOM 520 OE2 GLU A 36 4.488 1.074 4.173 1.00 25.00 O1- ATOM 0 H GLU A 36 8.006 4.196 4.256 1.00 25.00 H new ATOM 0 HA GLU A 36 5.192 4.184 5.137 1.00 25.00 H new ATOM 0 HB2 GLU A 36 7.764 3.124 6.363 1.00 25.00 H new ATOM 0 HB3 GLU A 36 6.175 2.995 7.091 1.00 25.00 H new ATOM 0 HG2 GLU A 36 6.881 1.823 4.372 1.00 25.00 H new ATOM 0 HG3 GLU A 36 6.989 0.924 5.873 1.00 25.00 H new ATOM 527 N ALA A 37 5.530 5.788 7.205 1.00 25.00 N ATOM 528 CA ALA A 37 5.513 7.050 7.950 1.00 25.00 C ATOM 529 C ALA A 37 5.235 6.840 9.462 1.00 25.00 C ATOM 530 O ALA A 37 4.923 5.737 9.871 1.00 25.00 O ATOM 531 CB ALA A 37 4.593 8.076 7.266 1.00 25.00 C ATOM 0 H ALA A 37 4.818 5.120 7.501 1.00 25.00 H new ATOM 0 HA ALA A 37 6.514 7.481 7.922 1.00 25.00 H new ATOM 0 HB1 ALA A 37 4.596 9.005 7.837 1.00 25.00 H new ATOM 0 HB2 ALA A 37 4.952 8.270 6.255 1.00 25.00 H new ATOM 0 HB3 ALA A 37 3.578 7.681 7.221 1.00 25.00 H new ATOM 537 N LYS A 38 5.371 7.874 10.298 1.00 25.00 N ATOM 538 CA LYS A 38 5.205 7.743 11.736 1.00 25.00 C ATOM 539 C LYS A 38 3.786 8.041 12.112 1.00 25.00 C ATOM 540 O LYS A 38 2.895 8.272 11.283 1.00 25.00 O ATOM 541 CB LYS A 38 6.088 8.791 12.413 1.00 25.00 C ATOM 542 CG LYS A 38 7.631 8.676 12.076 1.00 25.00 C ATOM 543 CD LYS A 38 8.407 9.549 12.989 1.00 25.00 C ATOM 544 CE LYS A 38 9.891 9.425 12.823 1.00 25.00 C ATOM 545 NZ LYS A 38 10.560 10.216 13.915 1.00 25.00 N1+ ATOM 0 H LYS A 38 5.599 8.820 9.991 1.00 25.00 H new ATOM 0 HA LYS A 38 5.470 6.731 12.043 1.00 25.00 H new ATOM 0 HB2 LYS A 38 5.740 9.782 12.122 1.00 25.00 H new ATOM 0 HB3 LYS A 38 5.959 8.712 13.492 1.00 25.00 H new ATOM 0 HG2 LYS A 38 7.960 7.642 12.179 1.00 25.00 H new ATOM 0 HG3 LYS A 38 7.810 8.966 11.041 1.00 25.00 H new ATOM 0 HD2 LYS A 38 8.117 10.586 12.820 1.00 25.00 H new ATOM 0 HD3 LYS A 38 8.144 9.308 14.019 1.00 25.00 H new ATOM 0 HE2 LYS A 38 10.192 8.379 12.874 1.00 25.00 H new ATOM 0 HE3 LYS A 38 10.195 9.797 11.845 1.00 25.00 H new ATOM 0 HZ1 LYS A 38 11.592 10.141 13.815 1.00 25.00 H new ATOM 0 HZ2 LYS A 38 10.277 11.214 13.844 1.00 25.00 H new ATOM 0 HZ3 LYS A 38 10.274 9.840 14.841 1.00 25.00 H new ATOM 559 N LYS A 39 3.539 8.105 13.400 1.00 25.00 N ATOM 560 CA LYS A 39 2.300 8.517 13.996 1.00 25.00 C ATOM 561 C LYS A 39 1.950 9.842 13.327 1.00 25.00 C ATOM 562 O LYS A 39 2.816 10.734 13.194 1.00 25.00 O ATOM 563 CB LYS A 39 2.401 8.493 15.501 1.00 25.00 C ATOM 564 CG LYS A 39 2.355 9.833 16.275 1.00 25.00 C ATOM 565 CD LYS A 39 0.946 10.259 16.816 1.00 25.00 C ATOM 566 CE LYS A 39 1.020 11.659 17.389 1.00 25.00 C ATOM 567 NZ LYS A 39 -0.295 12.029 17.950 1.00 25.00 N1+ ATOM 0 H LYS A 39 4.242 7.855 14.096 1.00 25.00 H new ATOM 0 HA LYS A 39 1.463 7.841 13.824 1.00 25.00 H new ATOM 0 HB2 LYS A 39 1.591 7.868 15.876 1.00 25.00 H new ATOM 0 HB3 LYS A 39 3.335 7.994 15.761 1.00 25.00 H new ATOM 0 HG2 LYS A 39 3.043 9.768 17.118 1.00 25.00 H new ATOM 0 HG3 LYS A 39 2.726 10.622 15.621 1.00 25.00 H new ATOM 0 HD2 LYS A 39 0.211 10.223 16.012 1.00 25.00 H new ATOM 0 HD3 LYS A 39 0.614 9.559 17.583 1.00 25.00 H new ATOM 0 HE2 LYS A 39 1.785 11.707 18.164 1.00 25.00 H new ATOM 0 HE3 LYS A 39 1.309 12.367 16.612 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 -0.246 12.990 18.344 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 -1.014 11.999 17.199 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 -0.552 11.359 18.703 1.00 25.00 H new ATOM 781 N LEU A 57 10.277 20.924 8.376 1.00 25.00 N ATOM 782 CA LEU A 57 10.474 21.615 7.104 1.00 25.00 C ATOM 783 C LEU A 57 11.609 22.612 7.021 1.00 25.00 C ATOM 784 O LEU A 57 12.163 22.918 5.981 1.00 25.00 O ATOM 785 CB LEU A 57 9.229 22.397 6.889 1.00 25.00 C ATOM 786 CG LEU A 57 7.829 21.703 6.986 1.00 25.00 C ATOM 787 CD1 LEU A 57 6.777 22.841 6.828 1.00 50.00 C ATOM 788 CD2 LEU A 57 7.791 20.619 6.021 1.00 50.00 C ATOM 0 HA LEU A 57 10.716 20.841 6.375 1.00 25.00 H new ATOM 0 HB2 LEU A 57 9.234 23.214 7.610 1.00 25.00 H new ATOM 0 HB3 LEU A 57 9.298 22.846 5.898 1.00 25.00 H new ATOM 0 HG LEU A 57 7.608 21.214 7.935 1.00 25.00 H new ATOM 0 HD11 LEU A 57 5.773 22.420 6.887 1.00 50.00 H new ATOM 0 HD12 LEU A 57 6.910 23.573 7.624 1.00 50.00 H new ATOM 0 HD13 LEU A 57 6.910 23.328 5.862 1.00 50.00 H new ATOM 0 HD21 LEU A 57 6.823 20.121 6.071 1.00 50.00 H new ATOM 0 HD22 LEU A 57 7.941 21.019 5.018 1.00 50.00 H new ATOM 0 HD23 LEU A 57 8.580 19.902 6.248 1.00 50.00 H new ATOM 800 N PHE A 58 12.161 22.954 8.201 1.00 25.00 N ATOM 801 CA PHE A 58 13.516 23.576 8.233 1.00 25.00 C ATOM 802 C PHE A 58 14.444 22.464 7.887 1.00 25.00 C ATOM 803 O PHE A 58 15.428 22.623 7.145 1.00 25.00 O ATOM 804 CB PHE A 58 13.794 24.329 9.622 1.00 25.00 C ATOM 805 CG PHE A 58 12.948 25.554 9.842 1.00 25.00 C ATOM 806 CD1 PHE A 58 11.991 25.591 10.875 1.00 50.00 C ATOM 807 CD2 PHE A 58 13.102 26.663 8.990 1.00 50.00 C ATOM 808 CE1 PHE A 58 11.179 26.729 11.061 1.00 25.00 C ATOM 809 CE2 PHE A 58 12.330 27.828 9.187 1.00 25.00 C ATOM 810 CZ PHE A 58 11.312 27.892 10.277 1.00 25.00 C ATOM 0 H PHE A 58 11.721 22.822 9.111 1.00 25.00 H new ATOM 0 HA PHE A 58 13.647 24.388 7.518 1.00 25.00 H new ATOM 0 HB2 PHE A 58 13.622 23.631 10.441 1.00 25.00 H new ATOM 0 HB3 PHE A 58 14.845 24.615 9.663 1.00 25.00 H new ATOM 0 HD1 PHE A 58 11.878 24.740 11.531 1.00 50.00 H new ATOM 0 HD2 PHE A 58 13.815 26.623 8.180 1.00 50.00 H new ATOM 0 HE1 PHE A 58 10.426 26.708 11.835 1.00 25.00 H new ATOM 0 HE2 PHE A 58 12.477 28.682 8.542 1.00 25.00 H new ATOM 0 HZ PHE A 58 10.715 28.774 10.454 1.00 25.00 H new ATOM 820 N GLY A 59 14.124 21.286 8.353 1.00 25.00 N ATOM 821 CA GLY A 59 14.865 20.103 8.016 1.00 25.00 C ATOM 822 C GLY A 59 14.624 19.784 6.556 1.00 25.00 C ATOM 823 O GLY A 59 15.390 19.108 5.804 1.00 25.00 O ATOM 0 H GLY A 59 13.337 21.121 8.981 1.00 25.00 H new ATOM 0 HA2 GLY A 59 15.928 20.257 8.199 1.00 25.00 H new ATOM 0 HA3 GLY A 59 14.551 19.268 8.643 1.00 25.00 H new ATOM 827 N GLY A 60 13.533 20.308 5.991 1.00 25.00 N ATOM 828 CA GLY A 60 13.178 20.068 4.602 1.00 25.00 C ATOM 829 C GLY A 60 14.137 20.610 3.600 1.00 25.00 C ATOM 830 O GLY A 60 14.290 20.143 2.509 1.00 25.00 O ATOM 0 H GLY A 60 12.876 20.909 6.488 1.00 25.00 H new ATOM 0 HA2 GLY A 60 13.085 18.993 4.448 1.00 25.00 H new ATOM 0 HA3 GLY A 60 12.196 20.503 4.414 1.00 25.00 H new ATOM 834 N ILE A 61 14.893 21.554 4.110 1.00 25.00 N ATOM 835 CA ILE A 61 15.969 22.206 3.351 1.00 25.00 C ATOM 836 C ILE A 61 17.058 21.177 3.226 1.00 25.00 C ATOM 837 O ILE A 61 17.639 20.987 2.173 1.00 25.00 O ATOM 838 CB ILE A 61 16.487 23.417 4.043 1.00 25.00 C ATOM 839 CG1 ILE A 61 15.377 24.494 4.151 1.00 25.00 C ATOM 840 CG2 ILE A 61 17.703 24.028 3.345 1.00 25.00 C ATOM 841 CD1 ILE A 61 15.604 25.624 5.096 1.00 25.00 C ATOM 0 H ILE A 61 14.790 21.902 5.063 1.00 25.00 H new ATOM 0 HA ILE A 61 15.602 22.545 2.382 1.00 25.00 H new ATOM 0 HB ILE A 61 16.800 23.091 5.035 1.00 25.00 H new ATOM 0 HG12 ILE A 61 15.217 24.913 3.158 1.00 25.00 H new ATOM 0 HG13 ILE A 61 14.451 23.995 4.439 1.00 25.00 H new ATOM 0 HG21 ILE A 61 18.035 24.908 3.896 1.00 25.00 H new ATOM 0 HG22 ILE A 61 18.509 23.295 3.311 1.00 25.00 H new ATOM 0 HG23 ILE A 61 17.432 24.317 2.329 1.00 25.00 H new ATOM 0 HD11 ILE A 61 14.749 26.299 5.068 1.00 25.00 H new ATOM 0 HD12 ILE A 61 15.726 25.234 6.107 1.00 25.00 H new ATOM 0 HD13 ILE A 61 16.504 26.166 4.805 1.00 25.00 H new ATOM 853 N LEU A 62 17.427 20.483 4.297 1.00 25.00 N ATOM 854 CA LEU A 62 18.491 19.486 4.258 1.00 25.00 C ATOM 855 C LEU A 62 18.122 18.086 3.641 1.00 25.00 C ATOM 856 O LEU A 62 18.952 17.409 3.086 1.00 25.00 O ATOM 857 CB LEU A 62 18.923 19.166 5.715 1.00 25.00 C ATOM 858 CG LEU A 62 19.428 20.384 6.526 1.00 25.00 C ATOM 859 CD1 LEU A 62 19.601 19.965 8.033 1.00 75.00 C ATOM 860 CD2 LEU A 62 20.716 20.957 6.017 1.00 75.00 C ATOM 0 H LEU A 62 16.998 20.595 5.215 1.00 25.00 H new ATOM 0 HA LEU A 62 19.251 19.942 3.623 1.00 25.00 H new ATOM 0 HB2 LEU A 62 18.077 18.723 6.241 1.00 25.00 H new ATOM 0 HB3 LEU A 62 19.711 18.413 5.688 1.00 25.00 H new ATOM 0 HG LEU A 62 18.678 21.167 6.416 1.00 25.00 H new ATOM 0 HD11 LEU A 62 19.957 20.819 8.610 1.00 75.00 H new ATOM 0 HD12 LEU A 62 18.642 19.633 8.431 1.00 75.00 H new ATOM 0 HD13 LEU A 62 20.324 19.153 8.104 1.00 75.00 H new ATOM 0 HD21 LEU A 62 21.006 21.806 6.635 1.00 75.00 H new ATOM 0 HD22 LEU A 62 21.495 20.195 6.059 1.00 75.00 H new ATOM 0 HD23 LEU A 62 20.585 21.286 4.986 1.00 75.00 H new ATOM 872 N ASP A 63 16.817 17.812 3.548 1.00 25.00 N ATOM 873 CA ASP A 63 16.368 16.684 2.756 1.00 25.00 C ATOM 874 C ASP A 63 16.660 16.923 1.267 1.00 25.00 C ATOM 875 O ASP A 63 16.986 16.017 0.467 1.00 25.00 O ATOM 876 CB ASP A 63 14.833 16.560 2.988 1.00 25.00 C ATOM 877 CG ASP A 63 14.310 15.215 2.680 1.00 25.00 C ATOM 878 OD1 ASP A 63 13.090 15.070 2.622 1.00 50.00 O ATOM 879 OD2 ASP A 63 15.109 14.254 2.583 1.00 50.00 O1- ATOM 0 H ASP A 63 16.076 18.346 4.002 1.00 25.00 H new ATOM 0 HA ASP A 63 16.887 15.771 3.049 1.00 25.00 H new ATOM 0 HB2 ASP A 63 14.607 16.802 4.026 1.00 25.00 H new ATOM 0 HB3 ASP A 63 14.317 17.295 2.370 1.00 25.00 H new ATOM 884 N GLN A 64 16.657 18.190 0.917 1.00 25.00 N ATOM 885 CA GLN A 64 16.990 18.561 -0.467 1.00 25.00 C ATOM 886 C GLN A 64 18.486 18.715 -0.725 1.00 25.00 C ATOM 887 O GLN A 64 18.974 19.186 -1.733 1.00 25.00 O ATOM 888 CB GLN A 64 16.218 19.816 -0.795 1.00 25.00 C ATOM 889 CG GLN A 64 14.680 19.646 -0.752 1.00 25.00 C ATOM 890 CD GLN A 64 13.951 20.995 -0.936 1.00 25.00 C ATOM 891 OE1 GLN A 64 14.468 21.924 -1.464 1.00 25.00 O ATOM 892 NE2 GLN A 64 12.742 21.073 -0.401 1.00 25.00 N ATOM 0 H GLN A 64 16.437 18.969 1.538 1.00 25.00 H new ATOM 0 HA GLN A 64 16.700 17.747 -1.131 1.00 25.00 H new ATOM 0 HB2 GLN A 64 16.505 20.599 -0.093 1.00 25.00 H new ATOM 0 HB3 GLN A 64 16.507 20.157 -1.789 1.00 25.00 H new ATOM 0 HG2 GLN A 64 14.368 18.954 -1.535 1.00 25.00 H new ATOM 0 HG3 GLN A 64 14.389 19.202 0.200 1.00 25.00 H new ATOM 0 HE21 GLN A 64 12.328 20.254 0.045 1.00 25.00 H new ATOM 0 HE22 GLN A 64 12.225 21.952 -0.435 1.00 25.00 H new ATOM 901 N GLN A 65 19.254 18.026 0.115 1.00 25.00 N ATOM 902 CA GLN A 65 20.636 17.616 -0.184 1.00 25.00 C ATOM 903 C GLN A 65 20.936 16.239 0.403 1.00 25.00 C ATOM 904 O GLN A 65 21.985 16.049 1.056 1.00 25.00 O ATOM 905 CB GLN A 65 21.689 18.630 0.357 1.00 25.00 C ATOM 906 CG GLN A 65 21.517 19.113 1.828 1.00 25.00 C ATOM 907 CD GLN A 65 22.443 20.176 2.228 1.00 25.00 C ATOM 908 OE1 GLN A 65 22.662 21.201 1.576 1.00 25.00 O ATOM 909 NE2 GLN A 65 23.097 19.935 3.283 1.00 25.00 N ATOM 0 H GLN A 65 18.935 17.729 1.037 1.00 25.00 H new ATOM 0 HA GLN A 65 20.714 17.585 -1.271 1.00 25.00 H new ATOM 0 HB2 GLN A 65 22.675 18.176 0.263 1.00 25.00 H new ATOM 0 HB3 GLN A 65 21.679 19.507 -0.291 1.00 25.00 H new ATOM 0 HG2 GLN A 65 20.495 19.468 1.964 1.00 25.00 H new ATOM 0 HG3 GLN A 65 21.650 18.261 2.495 1.00 25.00 H new ATOM 0 HE21 GLN A 65 22.910 19.086 3.816 1.00 25.00 H new ATOM 0 HE22 GLN A 65 23.812 20.590 3.601 1.00 25.00 H new ATOM 918 N SER A 66 20.012 15.307 0.131 1.00 25.00 N ATOM 919 CA SER A 66 20.104 13.990 0.725 1.00 25.00 C ATOM 920 C SER A 66 19.881 12.884 -0.314 1.00 25.00 C ATOM 921 O SER A 66 19.697 13.158 -1.484 1.00 25.00 O ATOM 922 CB SER A 66 18.899 13.894 1.682 1.00 25.00 C ATOM 923 OG SER A 66 18.903 12.805 2.533 1.00 25.00 O ATOM 0 H SER A 66 19.212 15.447 -0.486 1.00 25.00 H new ATOM 0 HA SER A 66 21.083 13.865 1.187 1.00 25.00 H new ATOM 0 HB2 SER A 66 18.860 14.803 2.283 1.00 25.00 H new ATOM 0 HB3 SER A 66 17.986 13.866 1.087 1.00 25.00 H new ATOM 0 HG SER A 66 18.104 12.830 3.100 1.00 25.00 H new ATOM 929 N GLU A 67 20.044 11.624 0.092 1.00 25.00 N ATOM 930 CA GLU A 67 19.897 10.585 -0.874 1.00 25.00 C ATOM 931 C GLU A 67 18.414 10.408 -1.146 1.00 25.00 C ATOM 932 O GLU A 67 17.965 9.999 -2.192 1.00 25.00 O ATOM 933 CB GLU A 67 20.489 9.293 -0.264 1.00 25.00 C ATOM 934 CG GLU A 67 20.682 8.183 -1.242 1.00 25.00 C ATOM 935 CD GLU A 67 21.709 8.546 -2.301 1.00 25.00 C ATOM 936 OE1 GLU A 67 22.828 8.880 -1.908 1.00 25.00 O ATOM 937 OE2 GLU A 67 21.424 8.461 -3.511 1.00 25.00 O1- ATOM 0 H GLU A 67 20.267 11.327 1.042 1.00 25.00 H new ATOM 0 HA GLU A 67 20.410 10.819 -1.807 1.00 25.00 H new ATOM 0 HB2 GLU A 67 21.450 9.529 0.194 1.00 25.00 H new ATOM 0 HB3 GLU A 67 19.832 8.948 0.534 1.00 25.00 H new ATOM 0 HG2 GLU A 67 21.003 7.284 -0.715 1.00 25.00 H new ATOM 0 HG3 GLU A 67 19.731 7.949 -1.721 1.00 25.00 H new ATOM 944 N ASN A 68 17.652 10.957 -0.195 1.00 25.00 N ATOM 945 CA ASN A 68 16.203 11.017 -0.354 1.00 25.00 C ATOM 946 C ASN A 68 15.756 12.298 -1.054 1.00 25.00 C ATOM 947 O ASN A 68 14.628 12.757 -0.837 1.00 25.00 O ATOM 948 CB ASN A 68 15.530 10.865 1.037 1.00 25.00 C ATOM 949 CG ASN A 68 15.735 9.565 1.664 1.00 25.00 C ATOM 950 OD1 ASN A 68 15.802 8.510 0.992 1.00 25.00 O ATOM 951 ND2 ASN A 68 15.850 9.523 2.942 1.00 25.00 N ATOM 0 H ASN A 68 18.008 11.357 0.673 1.00 25.00 H new ATOM 0 HA ASN A 68 15.889 10.194 -0.996 1.00 25.00 H new ATOM 0 HB2 ASN A 68 15.915 11.640 1.700 1.00 25.00 H new ATOM 0 HB3 ASN A 68 14.459 11.039 0.931 1.00 25.00 H new ATOM 0 HD21 ASN A 68 15.996 8.630 3.412 1.00 25.00 H new ATOM 0 HD22 ASN A 68 15.795 10.383 3.488 1.00 25.00 H new ATOM 958 N ARG A 69 16.576 12.806 -1.954 1.00 25.00 N ATOM 959 CA ARG A 69 16.236 14.033 -2.729 1.00 25.00 C ATOM 960 C ARG A 69 15.334 13.838 -3.946 1.00 25.00 C ATOM 961 O ARG A 69 15.713 13.485 -5.061 1.00 25.00 O ATOM 962 CB ARG A 69 17.543 14.788 -3.064 1.00 25.00 C ATOM 963 CG ARG A 69 17.403 16.229 -3.688 1.00 25.00 C ATOM 964 CD ARG A 69 18.697 16.773 -4.096 1.00 25.00 C ATOM 965 NE ARG A 69 18.570 18.163 -4.545 1.00 25.00 N ATOM 966 CZ ARG A 69 19.486 18.890 -5.156 1.00 25.00 C ATOM 967 NH1 ARG A 69 19.213 20.094 -5.487 1.00 25.00 N1+ ATOM 968 NH2 ARG A 69 20.681 18.389 -5.419 1.00 25.00 N ATOM 0 H ARG A 69 17.486 12.405 -2.182 1.00 25.00 H new ATOM 0 HA ARG A 69 15.603 14.640 -2.082 1.00 25.00 H new ATOM 0 HB2 ARG A 69 18.129 14.872 -2.149 1.00 25.00 H new ATOM 0 HB3 ARG A 69 18.119 14.175 -3.756 1.00 25.00 H new ATOM 0 HG2 ARG A 69 16.738 16.188 -4.551 1.00 25.00 H new ATOM 0 HG3 ARG A 69 16.941 16.897 -2.961 1.00 25.00 H new ATOM 0 HD2 ARG A 69 19.396 16.720 -3.261 1.00 25.00 H new ATOM 0 HD3 ARG A 69 19.113 16.165 -4.899 1.00 25.00 H new ATOM 0 HE ARG A 69 17.675 18.618 -4.365 1.00 25.00 H new ATOM 0 HH11 ARG A 69 18.294 20.484 -5.278 1.00 25.00 H new ATOM 0 HH12 ARG A 69 19.914 20.664 -5.960 1.00 25.00 H new ATOM 0 HH21 ARG A 69 20.903 17.431 -5.149 1.00 25.00 H new ATOM 0 HH22 ARG A 69 21.381 18.961 -5.892 1.00 25.00 H new ATOM 982 N TRP A 70 14.093 13.847 -3.521 1.00 25.00 N ATOM 983 CA TRP A 70 12.881 13.622 -4.294 1.00 25.00 C ATOM 984 C TRP A 70 12.920 14.264 -5.648 1.00 25.00 C ATOM 985 O TRP A 70 13.585 15.359 -5.812 1.00 25.00 O ATOM 986 CB TRP A 70 11.710 14.320 -3.565 1.00 25.00 C ATOM 987 CG TRP A 70 11.437 14.035 -2.082 1.00 25.00 C ATOM 988 CD1 TRP A 70 12.112 14.495 -1.054 1.00 25.00 C ATOM 989 CD2 TRP A 70 10.542 13.086 -1.539 1.00 25.00 C ATOM 990 NE1 TRP A 70 11.691 14.027 0.157 1.00 25.00 N ATOM 991 CE2 TRP A 70 10.744 13.064 -0.100 1.00 25.00 C ATOM 992 CE3 TRP A 70 9.679 12.184 -2.101 1.00 25.00 C ATOM 993 CZ2 TRP A 70 10.029 12.191 0.752 1.00 25.00 C ATOM 994 CZ3 TRP A 70 9.038 11.182 -1.272 1.00 25.00 C ATOM 995 CH2 TRP A 70 9.263 11.220 0.161 1.00 25.00 C ATOM 0 H TRP A 70 13.880 14.027 -2.540 1.00 25.00 H new ATOM 0 HA TRP A 70 12.775 12.542 -4.398 1.00 25.00 H new ATOM 0 HB2 TRP A 70 11.864 15.395 -3.663 1.00 25.00 H new ATOM 0 HB3 TRP A 70 10.799 14.077 -4.113 1.00 25.00 H new ATOM 0 HD1 TRP A 70 12.934 15.188 -1.158 1.00 25.00 H new ATOM 0 HE1 TRP A 70 12.016 14.332 1.074 1.00 25.00 H new ATOM 0 HE3 TRP A 70 9.476 12.219 -3.161 1.00 25.00 H new ATOM 0 HZ2 TRP A 70 10.084 12.286 1.826 1.00 25.00 H new ATOM 0 HZ3 TRP A 70 8.407 10.424 -1.711 1.00 25.00 H new ATOM 0 HH2 TRP A 70 8.813 10.459 0.781 1.00 25.00 H new ATOM 1006 N PHE A 71 12.235 13.723 -6.660 1.00 25.00 N ATOM 1007 CA PHE A 71 12.466 14.160 -7.994 1.00 25.00 C ATOM 1008 C PHE A 71 11.988 15.597 -8.038 1.00 25.00 C ATOM 1009 O PHE A 71 11.135 15.985 -7.248 1.00 25.00 O ATOM 1010 CB PHE A 71 11.714 13.248 -9.058 1.00 25.00 C ATOM 1011 CG PHE A 71 10.195 13.301 -8.999 1.00 25.00 C ATOM 1012 CD1 PHE A 71 9.508 12.284 -8.361 1.00 50.00 C ATOM 1013 CD2 PHE A 71 9.523 14.333 -9.651 1.00 50.00 C ATOM 1014 CE1 PHE A 71 8.011 12.275 -8.432 1.00 25.00 C ATOM 1015 CE2 PHE A 71 8.141 14.429 -9.592 1.00 25.00 C ATOM 1016 CZ PHE A 71 7.355 13.384 -8.970 1.00 25.00 C ATOM 0 H PHE A 71 11.530 12.993 -6.560 1.00 25.00 H new ATOM 0 HA PHE A 71 13.520 14.085 -8.260 1.00 25.00 H new ATOM 0 HB2 PHE A 71 12.033 13.545 -10.057 1.00 25.00 H new ATOM 0 HB3 PHE A 71 12.031 12.215 -8.916 1.00 25.00 H new ATOM 0 HD1 PHE A 71 10.039 11.513 -7.823 1.00 50.00 H new ATOM 0 HD2 PHE A 71 10.085 15.067 -10.209 1.00 50.00 H new ATOM 0 HE1 PHE A 71 7.449 11.425 -8.073 1.00 25.00 H new ATOM 0 HE2 PHE A 71 7.646 15.291 -10.014 1.00 25.00 H new ATOM 0 HZ PHE A 71 6.279 13.461 -8.923 1.00 25.00 H new ATOM 1026 N LYS A 72 12.588 16.386 -8.940 1.00 25.00 N ATOM 1027 CA LYS A 72 12.032 17.738 -9.228 1.00 25.00 C ATOM 1028 C LYS A 72 11.461 17.706 -10.617 1.00 25.00 C ATOM 1029 O LYS A 72 12.013 17.115 -11.521 1.00 25.00 O ATOM 1030 CB LYS A 72 13.173 18.779 -9.067 1.00 25.00 C ATOM 1031 CG LYS A 72 13.886 18.860 -7.746 1.00 25.00 C ATOM 1032 CD LYS A 72 15.122 19.803 -7.732 1.00 25.00 C ATOM 1033 CE LYS A 72 14.622 21.204 -7.778 1.00 25.00 C ATOM 1034 NZ LYS A 72 15.650 22.252 -7.880 1.00 25.00 N1+ ATOM 0 H LYS A 72 13.424 16.137 -9.469 1.00 25.00 H new ATOM 0 HA LYS A 72 11.235 18.021 -8.540 1.00 25.00 H new ATOM 0 HB2 LYS A 72 13.919 18.575 -9.835 1.00 25.00 H new ATOM 0 HB3 LYS A 72 12.757 19.763 -9.280 1.00 25.00 H new ATOM 0 HG2 LYS A 72 13.180 19.198 -6.987 1.00 25.00 H new ATOM 0 HG3 LYS A 72 14.207 17.858 -7.460 1.00 25.00 H new ATOM 0 HD2 LYS A 72 15.718 19.639 -6.834 1.00 25.00 H new ATOM 0 HD3 LYS A 72 15.768 19.599 -8.586 1.00 25.00 H new ATOM 0 HE2 LYS A 72 13.947 21.300 -8.629 1.00 25.00 H new ATOM 0 HE3 LYS A 72 14.032 21.388 -6.880 1.00 25.00 H new ATOM 0 HZ1 LYS A 72 15.193 23.186 -7.905 1.00 25.00 H new ATOM 0 HZ2 LYS A 72 16.283 22.198 -7.057 1.00 25.00 H new ATOM 0 HZ3 LYS A 72 16.202 22.114 -8.751 1.00 25.00 H new ATOM 1048 N HIS A 73 10.436 18.570 -10.801 1.00 25.00 N ATOM 1049 CA HIS A 73 9.897 18.892 -12.129 1.00 25.00 C ATOM 1050 C HIS A 73 9.517 20.364 -12.402 1.00 25.00 C ATOM 1051 O HIS A 73 8.768 20.959 -11.589 1.00 25.00 O ATOM 1052 CB HIS A 73 8.709 17.956 -12.612 1.00 25.00 C ATOM 1053 CG HIS A 73 8.844 17.491 -14.003 1.00 25.00 C ATOM 1054 ND1 HIS A 73 8.738 18.138 -15.208 1.00 25.00 N flip ATOM 1055 CD2 HIS A 73 9.227 16.194 -14.346 1.00 25.00 C flip ATOM 1056 CE1 HIS A 73 8.878 17.205 -16.191 1.00 25.00 C flip ATOM 1057 NE2 HIS A 73 9.285 16.067 -15.680 1.00 25.00 N flip ATOM 0 H HIS A 73 9.968 19.056 -10.036 1.00 25.00 H new ATOM 0 HA HIS A 73 10.785 18.688 -12.728 1.00 25.00 H new ATOM 0 HB2 HIS A 73 8.651 17.089 -11.953 1.00 25.00 H new ATOM 0 HB3 HIS A 73 7.768 18.497 -12.510 1.00 25.00 H new ATOM 0 HD1 HIS A 73 8.582 19.137 -15.344 1.00 25.00 H new ATOM 0 HD2 HIS A 73 9.445 15.407 -13.640 1.00 25.00 H new ATOM 0 HE1 HIS A 73 8.682 17.377 -17.239 1.00 25.00 H new ATOM 1065 N ILE A 74 9.943 20.924 -13.543 1.00 25.00 N ATOM 1066 CA ILE A 74 9.478 22.253 -13.885 1.00 25.00 C ATOM 1067 C ILE A 74 8.189 22.133 -14.707 1.00 25.00 C ATOM 1068 O ILE A 74 8.146 21.251 -15.573 1.00 25.00 O ATOM 1069 CB ILE A 74 10.521 22.970 -14.729 1.00 25.00 C ATOM 1070 CG1 ILE A 74 11.897 23.063 -14.069 1.00 25.00 C ATOM 1071 CG2 ILE A 74 10.079 24.400 -15.089 1.00 25.00 C ATOM 1072 CD1 ILE A 74 13.084 23.388 -14.941 1.00 25.00 C ATOM 0 H ILE A 74 10.581 20.492 -14.211 1.00 25.00 H new ATOM 0 HA ILE A 74 9.300 22.815 -12.968 1.00 25.00 H new ATOM 0 HB ILE A 74 10.607 22.354 -15.624 1.00 25.00 H new ATOM 0 HG12 ILE A 74 11.841 23.820 -13.287 1.00 25.00 H new ATOM 0 HG13 ILE A 74 12.096 22.111 -13.577 1.00 25.00 H new ATOM 0 HG21 ILE A 74 10.851 24.878 -15.692 1.00 25.00 H new ATOM 0 HG22 ILE A 74 9.148 24.362 -15.655 1.00 25.00 H new ATOM 0 HG23 ILE A 74 9.925 24.974 -14.175 1.00 25.00 H new ATOM 0 HD11 ILE A 74 13.986 23.419 -14.330 1.00 25.00 H new ATOM 0 HD12 ILE A 74 13.192 22.622 -15.709 1.00 25.00 H new ATOM 0 HD13 ILE A 74 12.933 24.358 -15.414 1.00 25.00 H new ATOM 1084 N MET A 75 7.132 22.902 -14.423 1.00 25.00 N ATOM 1085 CA MET A 75 5.949 22.905 -15.231 1.00 25.00 C ATOM 1086 C MET A 75 5.268 24.244 -15.192 1.00 25.00 C ATOM 1087 O MET A 75 5.237 24.898 -14.156 1.00 25.00 O ATOM 1088 CB MET A 75 4.949 21.841 -14.760 1.00 25.00 C ATOM 1089 CG MET A 75 3.813 21.524 -15.749 1.00 25.00 C ATOM 1090 SD MET A 75 2.882 20.058 -15.210 1.00 25.00 S ATOM 1091 CE MET A 75 1.527 19.963 -16.364 1.00 25.00 C ATOM 0 H MET A 75 7.091 23.533 -13.623 1.00 25.00 H new ATOM 0 HA MET A 75 6.266 22.683 -16.250 1.00 25.00 H new ATOM 0 HB2 MET A 75 5.494 20.921 -14.551 1.00 25.00 H new ATOM 0 HB3 MET A 75 4.508 22.171 -13.819 1.00 25.00 H new ATOM 0 HG2 MET A 75 3.142 22.379 -15.826 1.00 25.00 H new ATOM 0 HG3 MET A 75 4.227 21.353 -16.743 1.00 25.00 H new ATOM 0 HE1 MET A 75 0.953 19.056 -16.177 1.00 25.00 H new ATOM 0 HE2 MET A 75 0.882 20.833 -16.240 1.00 25.00 H new ATOM 0 HE3 MET A 75 1.917 19.942 -17.382 1.00 25.00 H new ATOM 1101 N THR A 76 4.718 24.663 -16.322 1.00 25.00 N ATOM 1102 CA THR A 76 4.031 25.917 -16.435 1.00 25.00 C ATOM 1103 C THR A 76 2.616 25.877 -15.889 1.00 25.00 C ATOM 1104 O THR A 76 2.066 24.791 -15.626 1.00 25.00 O ATOM 1105 CB THR A 76 3.850 26.394 -17.910 1.00 25.00 C ATOM 1106 OG1 THR A 76 3.257 25.284 -18.629 1.00 25.00 O ATOM 1107 CG2 THR A 76 5.283 26.633 -18.497 1.00 25.00 C ATOM 0 H THR A 76 4.743 24.127 -17.190 1.00 25.00 H new ATOM 0 HA THR A 76 4.673 26.588 -15.864 1.00 25.00 H new ATOM 0 HB THR A 76 3.241 27.295 -17.983 1.00 25.00 H new ATOM 0 HG1 THR A 76 3.121 25.536 -19.566 1.00 25.00 H new ATOM 0 HG21 THR A 76 5.201 26.969 -19.531 1.00 25.00 H new ATOM 0 HG22 THR A 76 5.795 27.394 -17.908 1.00 25.00 H new ATOM 0 HG23 THR A 76 5.851 25.703 -18.461 1.00 25.00 H new ATOM 1115 N GLY A 77 1.934 27.004 -15.679 1.00 25.00 N ATOM 1116 CA GLY A 77 0.520 26.946 -15.302 1.00 25.00 C ATOM 1117 C GLY A 77 -0.404 26.470 -16.424 1.00 25.00 C ATOM 1118 O GLY A 77 -0.108 26.590 -17.640 1.00 25.00 O ATOM 0 H GLY A 77 2.323 27.943 -15.760 1.00 25.00 H new ATOM 0 HA2 GLY A 77 0.410 26.279 -14.447 1.00 25.00 H new ATOM 0 HA3 GLY A 77 0.200 27.936 -14.977 1.00 25.00 H new ATOM 1122 N GLY A 78 -1.470 25.788 -16.079 1.00 25.00 N ATOM 1123 CA GLY A 78 -2.276 25.074 -17.010 1.00 25.00 C ATOM 1124 C GLY A 78 -3.055 23.947 -16.240 1.00 25.00 C ATOM 1125 O GLY A 78 -3.060 23.869 -15.006 1.00 25.00 O ATOM 0 H GLY A 78 -1.800 25.719 -15.116 1.00 25.00 H new ATOM 0 HA2 GLY A 78 -2.976 25.750 -17.500 1.00 25.00 H new ATOM 0 HA3 GLY A 78 -1.654 24.637 -17.792 1.00 25.00 H new ATOM 1129 N GLU A 79 -3.624 23.018 -16.957 1.00 25.00 N ATOM 1130 CA GLU A 79 -4.061 21.803 -16.329 1.00 25.00 C ATOM 1131 C GLU A 79 -2.809 20.998 -15.785 1.00 25.00 C ATOM 1132 O GLU A 79 -1.762 20.904 -16.451 1.00 25.00 O ATOM 1133 CB GLU A 79 -4.864 21.002 -17.347 1.00 25.00 C ATOM 1134 CG GLU A 79 -5.753 19.910 -16.775 1.00 25.00 C ATOM 1135 CD GLU A 79 -5.703 18.696 -17.568 1.00 25.00 C ATOM 1136 OE1 GLU A 79 -6.623 18.411 -18.364 1.00 25.00 O ATOM 1137 OE2 GLU A 79 -4.663 17.970 -17.462 1.00 25.00 O1- ATOM 0 H GLU A 79 -3.794 23.076 -17.961 1.00 25.00 H new ATOM 0 HA GLU A 79 -4.700 22.014 -15.471 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -5.488 21.693 -17.914 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -4.169 20.547 -18.053 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -5.443 19.689 -15.754 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -6.781 20.269 -16.726 1.00 25.00 H new ATOM 1144 N HIS A 80 -2.849 20.438 -14.594 1.00 25.00 N ATOM 1145 CA HIS A 80 -1.733 19.588 -14.109 1.00 25.00 C ATOM 1146 C HIS A 80 -2.395 18.262 -13.837 1.00 25.00 C ATOM 1147 O HIS A 80 -3.563 18.277 -13.506 1.00 25.00 O ATOM 1148 CB HIS A 80 -1.069 20.182 -12.863 1.00 25.00 C ATOM 1149 CG HIS A 80 -0.294 21.444 -13.150 1.00 25.00 C ATOM 1150 ND1 HIS A 80 1.084 21.534 -13.160 1.00 25.00 N ATOM 1151 CD2 HIS A 80 -0.732 22.688 -13.396 1.00 25.00 C ATOM 1152 CE1 HIS A 80 1.448 22.749 -13.512 1.00 25.00 C ATOM 1153 NE2 HIS A 80 0.377 23.477 -13.639 1.00 25.00 N ATOM 0 H HIS A 80 -3.622 20.542 -13.937 1.00 25.00 H new ATOM 0 HA HIS A 80 -0.918 19.501 -14.827 1.00 25.00 H new ATOM 0 HB2 HIS A 80 -1.835 20.395 -12.117 1.00 25.00 H new ATOM 0 HB3 HIS A 80 -0.398 19.441 -12.428 1.00 25.00 H new ATOM 0 HD1 HIS A 80 1.723 20.774 -12.929 1.00 25.00 H new ATOM 0 HD2 HIS A 80 -1.762 23.013 -13.403 1.00 25.00 H new ATOM 0 HE1 HIS A 80 2.463 23.084 -13.669 1.00 25.00 H new ATOM 1161 N THR A 81 -1.715 17.158 -13.985 1.00 25.00 N ATOM 1162 CA THR A 81 -2.248 15.824 -13.784 1.00 25.00 C ATOM 1163 C THR A 81 -1.404 15.148 -12.734 1.00 25.00 C ATOM 1164 O THR A 81 -0.206 15.131 -12.820 1.00 25.00 O ATOM 1165 CB THR A 81 -2.404 15.038 -15.033 1.00 25.00 C ATOM 1166 OG1 THR A 81 -3.207 15.749 -15.968 1.00 25.00 O ATOM 1167 CG2 THR A 81 -3.137 13.677 -14.868 1.00 25.00 C ATOM 0 H THR A 81 -0.733 17.156 -14.260 1.00 25.00 H new ATOM 0 HA THR A 81 -3.276 15.897 -13.429 1.00 25.00 H new ATOM 0 HB THR A 81 -1.376 14.868 -15.354 1.00 25.00 H new ATOM 0 HG1 THR A 81 -4.154 15.616 -15.754 1.00 25.00 H new ATOM 0 HG21 THR A 81 -3.201 13.179 -15.835 1.00 25.00 H new ATOM 0 HG22 THR A 81 -2.583 13.048 -14.171 1.00 25.00 H new ATOM 0 HG23 THR A 81 -4.141 13.849 -14.481 1.00 25.00 H new ATOM 1175 N PHE A 82 -2.052 14.640 -11.689 1.00 25.00 N ATOM 1176 CA PHE A 82 -1.347 14.017 -10.510 1.00 25.00 C ATOM 1177 C PHE A 82 -1.809 12.580 -10.541 1.00 25.00 C ATOM 1178 O PHE A 82 -2.734 12.202 -9.843 1.00 25.00 O ATOM 1179 CB PHE A 82 -1.655 14.839 -9.267 1.00 25.00 C ATOM 1180 CG PHE A 82 -1.209 16.275 -9.337 1.00 25.00 C ATOM 1181 CD1 PHE A 82 0.127 16.621 -9.099 1.00 50.00 C ATOM 1182 CD2 PHE A 82 -2.117 17.333 -9.667 1.00 50.00 C ATOM 1183 CE1 PHE A 82 0.551 17.995 -9.245 1.00 25.00 C ATOM 1184 CE2 PHE A 82 -1.685 18.667 -9.790 1.00 25.00 C ATOM 1185 CZ PHE A 82 -0.337 18.995 -9.564 1.00 25.00 C ATOM 0 H PHE A 82 -3.069 14.635 -11.610 1.00 25.00 H new ATOM 0 HA PHE A 82 -0.257 14.015 -10.526 1.00 25.00 H new ATOM 0 HB2 PHE A 82 -2.730 14.815 -9.089 1.00 25.00 H new ATOM 0 HB3 PHE A 82 -1.179 14.366 -8.408 1.00 25.00 H new ATOM 0 HD1 PHE A 82 0.839 15.863 -8.807 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -3.160 17.101 -9.825 1.00 50.00 H new ATOM 0 HE1 PHE A 82 1.592 18.243 -9.100 1.00 25.00 H new ATOM 0 HE2 PHE A 82 -2.390 19.440 -10.058 1.00 25.00 H new ATOM 0 HZ PHE A 82 -0.003 20.019 -9.640 1.00 25.00 H new ATOM 1195 N THR A 83 -1.188 11.822 -11.423 1.00 25.00 N ATOM 1196 CA THR A 83 -1.501 10.401 -11.557 1.00 25.00 C ATOM 1197 C THR A 83 -0.731 9.641 -10.509 1.00 25.00 C ATOM 1198 O THR A 83 0.473 9.414 -10.620 1.00 25.00 O ATOM 1199 CB THR A 83 -1.179 9.824 -12.991 1.00 25.00 C ATOM 1200 OG1 THR A 83 -1.813 10.654 -14.029 1.00 25.00 O ATOM 1201 CG2 THR A 83 -1.632 8.396 -13.213 1.00 25.00 C ATOM 0 H THR A 83 -0.465 12.159 -12.059 1.00 25.00 H new ATOM 0 HA THR A 83 -2.576 10.283 -11.417 1.00 25.00 H new ATOM 0 HB THR A 83 -0.091 9.840 -13.057 1.00 25.00 H new ATOM 0 HG1 THR A 83 -1.605 10.287 -14.914 1.00 25.00 H new ATOM 0 HG21 THR A 83 -1.369 8.084 -14.224 1.00 25.00 H new ATOM 0 HG22 THR A 83 -1.141 7.742 -12.492 1.00 25.00 H new ATOM 0 HG23 THR A 83 -2.712 8.333 -13.083 1.00 25.00 H new ATOM 1209 N TRP A 84 -1.462 9.291 -9.446 1.00 25.00 N ATOM 1210 CA TRP A 84 -0.988 8.422 -8.349 1.00 25.00 C ATOM 1211 C TRP A 84 -1.788 7.128 -8.675 1.00 25.00 C ATOM 1212 O TRP A 84 -2.899 7.207 -9.153 1.00 25.00 O ATOM 1213 CB TRP A 84 -1.442 9.009 -7.019 1.00 25.00 C ATOM 1214 CG TRP A 84 -0.739 10.399 -6.691 1.00 25.00 C ATOM 1215 CD1 TRP A 84 -0.711 11.541 -7.406 1.00 25.00 C ATOM 1216 CD2 TRP A 84 0.065 10.665 -5.531 1.00 25.00 C ATOM 1217 NE1 TRP A 84 -0.058 12.552 -6.764 1.00 25.00 N ATOM 1218 CE2 TRP A 84 0.539 12.000 -5.656 1.00 25.00 C ATOM 1219 CE3 TRP A 84 0.446 9.926 -4.383 1.00 25.00 C ATOM 1220 CZ2 TRP A 84 1.501 12.544 -4.787 1.00 25.00 C ATOM 1221 CZ3 TRP A 84 1.376 10.492 -3.444 1.00 25.00 C ATOM 1222 CH2 TRP A 84 1.956 11.764 -3.725 1.00 25.00 C ATOM 0 H TRP A 84 -2.423 9.608 -9.316 1.00 25.00 H new ATOM 0 HA TRP A 84 0.091 8.287 -8.274 1.00 25.00 H new ATOM 0 HB2 TRP A 84 -2.523 9.148 -7.038 1.00 25.00 H new ATOM 0 HB3 TRP A 84 -1.226 8.299 -6.220 1.00 25.00 H new ATOM 0 HD1 TRP A 84 -1.158 11.645 -8.384 1.00 25.00 H new ATOM 0 HE1 TRP A 84 -0.020 13.530 -7.051 1.00 25.00 H new ATOM 0 HE3 TRP A 84 0.039 8.940 -4.214 1.00 25.00 H new ATOM 0 HZ2 TRP A 84 1.879 13.544 -4.939 1.00 25.00 H new ATOM 0 HZ3 TRP A 84 1.632 9.961 -2.539 1.00 25.00 H new ATOM 0 HH2 TRP A 84 2.761 12.129 -3.105 1.00 25.00 H new ATOM 1233 N THR A 85 -1.187 5.977 -8.591 1.00 25.00 N ATOM 1234 CA THR A 85 -1.800 4.744 -9.084 1.00 25.00 C ATOM 1235 C THR A 85 -1.352 3.500 -8.338 1.00 25.00 C ATOM 1236 O THR A 85 -0.204 3.300 -7.982 1.00 25.00 O ATOM 1237 CB THR A 85 -1.637 4.565 -10.629 1.00 25.00 C ATOM 1238 OG1 THR A 85 -2.050 3.303 -11.103 1.00 25.00 O ATOM 1239 CG2 THR A 85 -0.159 4.811 -11.035 1.00 25.00 C ATOM 0 H THR A 85 -0.261 5.850 -8.183 1.00 25.00 H new ATOM 0 HA THR A 85 -2.864 4.862 -8.877 1.00 25.00 H new ATOM 0 HB THR A 85 -2.294 5.302 -11.091 1.00 25.00 H new ATOM 0 HG1 THR A 85 -1.923 3.260 -12.074 1.00 25.00 H new ATOM 0 HG21 THR A 85 -0.052 4.685 -12.112 1.00 25.00 H new ATOM 0 HG22 THR A 85 0.131 5.825 -10.758 1.00 25.00 H new ATOM 0 HG23 THR A 85 0.483 4.097 -10.520 1.00 25.00 H new ATOM 1247 N TYR A 86 -2.290 2.589 -8.166 1.00 25.00 N ATOM 1248 CA TYR A 86 -1.957 1.327 -7.548 1.00 25.00 C ATOM 1249 C TYR A 86 -2.759 0.229 -8.226 1.00 25.00 C ATOM 1250 O TYR A 86 -3.724 0.561 -8.900 1.00 25.00 O ATOM 1251 CB TYR A 86 -2.220 1.355 -5.999 1.00 25.00 C ATOM 1252 CG TYR A 86 -1.397 0.365 -5.207 1.00 25.00 C ATOM 1253 CD1 TYR A 86 -2.011 -0.675 -4.352 1.00 50.00 C ATOM 1254 CD2 TYR A 86 0.026 0.345 -5.288 1.00 50.00 C ATOM 1255 CE1 TYR A 86 -1.222 -1.642 -3.806 1.00 25.00 C ATOM 1256 CE2 TYR A 86 0.775 -0.598 -4.709 1.00 25.00 C ATOM 1257 CZ TYR A 86 0.198 -1.626 -4.007 1.00 25.00 C ATOM 1258 OH TYR A 86 1.053 -2.582 -3.439 1.00 25.00 O ATOM 0 H TYR A 86 -3.267 2.697 -8.439 1.00 25.00 H new ATOM 0 HA TYR A 86 -0.892 1.133 -7.676 1.00 25.00 H new ATOM 0 HB2 TYR A 86 -2.016 2.359 -5.626 1.00 25.00 H new ATOM 0 HB3 TYR A 86 -3.277 1.157 -5.819 1.00 25.00 H new ATOM 0 HD1 TYR A 86 -3.074 -0.667 -4.163 1.00 50.00 H new ATOM 0 HD2 TYR A 86 0.522 1.128 -5.843 1.00 50.00 H new ATOM 0 HE1 TYR A 86 -1.670 -2.428 -3.216 1.00 25.00 H new ATOM 0 HE2 TYR A 86 1.851 -0.550 -4.795 1.00 25.00 H new ATOM 0 HH TYR A 86 1.978 -2.390 -3.701 1.00 25.00 H new ATOM 1268 N THR A 87 -2.468 -1.023 -7.950 1.00 25.00 N ATOM 1269 CA THR A 87 -3.227 -2.123 -8.468 1.00 25.00 C ATOM 1270 C THR A 87 -4.593 -2.249 -7.821 1.00 25.00 C ATOM 1271 O THR A 87 -5.579 -2.774 -8.354 1.00 25.00 O ATOM 1272 CB THR A 87 -2.302 -3.378 -8.506 1.00 25.00 C ATOM 1273 OG1 THR A 87 -2.922 -4.585 -9.012 1.00 25.00 O ATOM 1274 CG2 THR A 87 -1.749 -3.746 -7.145 1.00 25.00 C ATOM 0 H THR A 87 -1.689 -1.301 -7.353 1.00 25.00 H new ATOM 0 HA THR A 87 -3.528 -1.960 -9.503 1.00 25.00 H new ATOM 0 HB THR A 87 -1.519 -3.054 -9.191 1.00 25.00 H new ATOM 0 HG1 THR A 87 -2.270 -5.317 -9.001 1.00 25.00 H new ATOM 0 HG21 THR A 87 -1.113 -4.627 -7.237 1.00 25.00 H new ATOM 0 HG22 THR A 87 -1.163 -2.915 -6.753 1.00 25.00 H new ATOM 0 HG23 THR A 87 -2.572 -3.962 -6.464 1.00 25.00 H new ATOM 1282 N ALA A 88 -4.732 -1.858 -6.566 1.00 25.00 N ATOM 1283 CA ALA A 88 -5.932 -2.033 -5.812 1.00 25.00 C ATOM 1284 C ALA A 88 -6.188 -0.759 -4.964 1.00 25.00 C ATOM 1285 O ALA A 88 -5.216 -0.013 -4.663 1.00 25.00 O ATOM 1286 CB ALA A 88 -5.810 -3.289 -4.904 1.00 25.00 C ATOM 0 H ALA A 88 -3.986 -1.400 -6.042 1.00 25.00 H new ATOM 0 HA ALA A 88 -6.775 -2.185 -6.486 1.00 25.00 H new ATOM 0 HB1 ALA A 88 -6.729 -3.415 -4.332 1.00 25.00 H new ATOM 0 HB2 ALA A 88 -5.644 -4.171 -5.523 1.00 25.00 H new ATOM 0 HB3 ALA A 88 -4.971 -3.163 -4.219 1.00 25.00 H new ATOM 1292 N PRO A 89 -7.424 -0.470 -4.644 1.00 25.00 N ATOM 1293 CA PRO A 89 -7.593 0.646 -3.680 1.00 25.00 C ATOM 1294 C PRO A 89 -7.170 0.149 -2.271 1.00 25.00 C ATOM 1295 O PRO A 89 -6.921 -1.088 -2.047 1.00 25.00 O ATOM 1296 CB PRO A 89 -9.080 1.014 -3.766 1.00 25.00 C ATOM 1297 CG PRO A 89 -9.737 -0.388 -3.998 1.00 25.00 C ATOM 1298 CD PRO A 89 -8.720 -1.123 -5.007 1.00 25.00 C ATOM 0 HA PRO A 89 -6.980 1.522 -3.892 1.00 25.00 H new ATOM 0 HB2 PRO A 89 -9.438 1.489 -2.853 1.00 25.00 H new ATOM 0 HB3 PRO A 89 -9.285 1.703 -4.585 1.00 25.00 H new ATOM 0 HG2 PRO A 89 -9.843 -0.940 -3.064 1.00 25.00 H new ATOM 0 HG3 PRO A 89 -10.734 -0.297 -4.430 1.00 25.00 H new ATOM 0 HD2 PRO A 89 -8.695 -2.202 -4.852 1.00 25.00 H new ATOM 0 HD3 PRO A 89 -8.985 -0.958 -6.051 1.00 25.00 H new ATOM 1306 N HIS A 90 -6.879 1.005 -1.327 1.00 25.00 N ATOM 1307 CA HIS A 90 -6.689 0.654 0.087 1.00 25.00 C ATOM 1308 C HIS A 90 -7.587 1.489 1.044 1.00 25.00 C ATOM 1309 O HIS A 90 -8.202 2.477 0.656 1.00 25.00 O ATOM 1310 CB HIS A 90 -5.228 0.708 0.462 1.00 0.00 C ATOM 1311 CG HIS A 90 -4.629 2.094 0.663 1.00 0.00 C ATOM 1312 ND1 HIS A 90 -4.783 2.816 1.836 1.00 0.00 N ATOM 1313 CD2 HIS A 90 -3.850 2.878 -0.143 1.00 0.00 C ATOM 1314 CE1 HIS A 90 -4.136 4.019 1.656 1.00 0.00 C ATOM 1315 NE2 HIS A 90 -3.501 4.063 0.496 1.00 0.00 N ATOM 0 H HIS A 90 -6.760 2.001 -1.510 1.00 25.00 H new ATOM 0 HA HIS A 90 -7.021 -0.377 0.212 1.00 25.00 H new ATOM 0 HB2 HIS A 90 -5.091 0.140 1.382 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -4.657 0.199 -0.315 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -5.281 2.514 2.674 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -3.546 2.612 -1.144 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -4.146 4.826 2.373 1.00 0.00 H new ATOM 1323 N ASN A 91 -7.753 1.008 2.268 1.00 25.00 N ATOM 1324 CA ASN A 91 -8.612 1.634 3.210 1.00 25.00 C ATOM 1325 C ASN A 91 -7.968 3.032 3.479 1.00 25.00 C ATOM 1326 O ASN A 91 -6.785 3.120 3.854 1.00 25.00 O ATOM 1327 CB ASN A 91 -8.750 0.862 4.489 1.00 25.00 C ATOM 1328 CG ASN A 91 -9.505 -0.490 4.312 1.00 25.00 C ATOM 1329 OD1 ASN A 91 -10.310 -0.685 3.420 1.00 25.00 O ATOM 1330 ND2 ASN A 91 -9.201 -1.378 5.185 1.00 25.00 N ATOM 0 H ASN A 91 -7.286 0.171 2.617 1.00 25.00 H new ATOM 0 HA ASN A 91 -9.625 1.700 2.814 1.00 25.00 H new ATOM 0 HB2 ASN A 91 -7.758 0.666 4.896 1.00 25.00 H new ATOM 0 HB3 ASN A 91 -9.280 1.473 5.220 1.00 25.00 H new ATOM 0 HD21 ASN A 91 -9.641 -2.298 5.151 1.00 25.00 H new ATOM 0 HD22 ASN A 91 -8.519 -1.165 5.913 1.00 25.00 H new ATOM 1337 N THR A 92 -8.758 4.083 3.285 1.00 25.00 N ATOM 1338 CA THR A 92 -8.334 5.441 3.732 1.00 25.00 C ATOM 1339 C THR A 92 -9.621 6.096 4.115 1.00 25.00 C ATOM 1340 O THR A 92 -10.670 5.730 3.560 1.00 25.00 O ATOM 1341 CB THR A 92 -7.471 6.197 2.761 1.00 25.00 C ATOM 1342 OG1 THR A 92 -6.768 7.295 3.382 1.00 25.00 O ATOM 1343 CG2 THR A 92 -8.133 6.655 1.512 1.00 25.00 C ATOM 0 H THR A 92 -9.673 4.044 2.836 1.00 25.00 H new ATOM 0 HA THR A 92 -7.639 5.404 4.571 1.00 25.00 H new ATOM 0 HB THR A 92 -6.756 5.438 2.445 1.00 25.00 H new ATOM 0 HG1 THR A 92 -7.191 8.141 3.126 1.00 25.00 H new ATOM 0 HG21 THR A 92 -7.412 7.187 0.892 1.00 25.00 H new ATOM 0 HG22 THR A 92 -8.515 5.793 0.965 1.00 25.00 H new ATOM 0 HG23 THR A 92 -8.959 7.321 1.761 1.00 25.00 H new ATOM 1351 N SER A 93 -9.645 7.018 5.041 1.00 25.00 N ATOM 1352 CA SER A 93 -10.800 7.834 5.350 1.00 25.00 C ATOM 1353 C SER A 93 -10.713 9.162 4.572 1.00 25.00 C ATOM 1354 O SER A 93 -11.773 9.685 4.143 1.00 25.00 O ATOM 1355 CB SER A 93 -10.952 8.055 6.836 1.00 25.00 C ATOM 1356 OG SER A 93 -9.878 8.826 7.347 1.00 25.00 O ATOM 0 H SER A 93 -8.836 7.232 5.623 1.00 25.00 H new ATOM 0 HA SER A 93 -11.698 7.305 5.033 1.00 25.00 H new ATOM 0 HB2 SER A 93 -11.896 8.561 7.037 1.00 25.00 H new ATOM 0 HB3 SER A 93 -10.990 7.094 7.348 1.00 25.00 H new ATOM 0 HG SER A 93 -9.041 8.326 7.249 1.00 25.00 H new ATOM 1362 N GLN A 94 -9.526 9.661 4.310 1.00 25.00 N ATOM 1363 CA GLN A 94 -9.380 10.908 3.573 1.00 25.00 C ATOM 1364 C GLN A 94 -7.976 10.975 2.958 1.00 25.00 C ATOM 1365 O GLN A 94 -7.086 10.252 3.420 1.00 25.00 O ATOM 1366 CB GLN A 94 -9.482 12.005 4.670 1.00 25.00 C ATOM 1367 CG GLN A 94 -9.738 13.426 4.168 1.00 25.00 C ATOM 1368 CD GLN A 94 -9.861 14.491 5.283 1.00 25.00 C ATOM 1369 OE1 GLN A 94 -9.873 14.093 6.501 1.00 25.00 O flip ATOM 1370 NE2 GLN A 94 -10.094 15.619 4.963 1.00 25.00 N flip ATOM 0 H GLN A 94 -8.647 9.228 4.593 1.00 25.00 H new ATOM 0 HA GLN A 94 -10.116 11.013 2.776 1.00 25.00 H new ATOM 0 HB2 GLN A 94 -10.284 11.732 5.356 1.00 25.00 H new ATOM 0 HB3 GLN A 94 -8.556 12.004 5.245 1.00 25.00 H new ATOM 0 HG2 GLN A 94 -8.927 13.712 3.498 1.00 25.00 H new ATOM 0 HG3 GLN A 94 -10.655 13.429 3.578 1.00 25.00 H new ATOM 0 HE21 GLN A 94 -10.071 15.885 3.979 1.00 25.00 H new ATOM 0 HE22 GLN A 94 -10.315 16.316 5.674 1.00 25.00 H new ATOM 1379 N TRP A 95 -7.741 11.792 1.969 1.00 25.00 N ATOM 1380 CA TRP A 95 -6.416 12.106 1.558 1.00 25.00 C ATOM 1381 C TRP A 95 -6.414 13.579 1.163 1.00 25.00 C ATOM 1382 O TRP A 95 -7.401 14.172 0.723 1.00 25.00 O ATOM 1383 CB TRP A 95 -5.975 11.206 0.437 1.00 25.00 C ATOM 1384 CG TRP A 95 -6.964 10.726 -0.599 1.00 25.00 C ATOM 1385 CD1 TRP A 95 -8.026 9.870 -0.438 1.00 25.00 C ATOM 1386 CD2 TRP A 95 -6.861 10.890 -2.042 1.00 25.00 C ATOM 1387 NE1 TRP A 95 -8.581 9.530 -1.656 1.00 25.00 N ATOM 1388 CE2 TRP A 95 -7.856 10.084 -2.662 1.00 25.00 C ATOM 1389 CE3 TRP A 95 -5.966 11.575 -2.900 1.00 25.00 C ATOM 1390 CZ2 TRP A 95 -8.043 10.019 -4.072 1.00 25.00 C ATOM 1391 CZ3 TRP A 95 -6.159 11.504 -4.280 1.00 25.00 C ATOM 1392 CH2 TRP A 95 -7.162 10.697 -4.855 1.00 25.00 C ATOM 0 H TRP A 95 -8.471 12.256 1.429 1.00 25.00 H new ATOM 0 HA TRP A 95 -5.700 11.941 2.363 1.00 25.00 H new ATOM 0 HB2 TRP A 95 -5.178 11.724 -0.096 1.00 25.00 H new ATOM 0 HB3 TRP A 95 -5.531 10.320 0.892 1.00 25.00 H new ATOM 0 HD1 TRP A 95 -8.381 9.510 0.516 1.00 25.00 H new ATOM 0 HE1 TRP A 95 -9.411 8.950 -1.781 1.00 25.00 H new ATOM 0 HE3 TRP A 95 -5.145 12.145 -2.491 1.00 25.00 H new ATOM 0 HZ2 TRP A 95 -8.855 9.452 -4.504 1.00 25.00 H new ATOM 0 HZ3 TRP A 95 -5.520 12.085 -4.928 1.00 25.00 H new ATOM 0 HH2 TRP A 95 -7.231 10.616 -5.930 1.00 25.00 H new ATOM 1403 N HIS A 96 -5.336 14.225 1.345 1.00 25.00 N ATOM 1404 CA HIS A 96 -5.214 15.694 1.236 1.00 25.00 C ATOM 1405 C HIS A 96 -3.973 16.023 0.445 1.00 25.00 C ATOM 1406 O HIS A 96 -2.984 15.286 0.555 1.00 25.00 O ATOM 1407 CB HIS A 96 -4.945 16.383 2.601 1.00 25.00 C ATOM 1408 CG HIS A 96 -5.606 15.747 3.778 1.00 25.00 C ATOM 1409 ND1 HIS A 96 -6.461 16.440 4.667 1.00 25.00 N ATOM 1410 CD2 HIS A 96 -5.434 14.532 4.344 1.00 25.00 C ATOM 1411 CE1 HIS A 96 -6.730 15.629 5.640 1.00 25.00 C ATOM 1412 NE2 HIS A 96 -6.157 14.483 5.467 1.00 25.00 N ATOM 0 H HIS A 96 -4.457 13.767 1.585 1.00 25.00 H new ATOM 0 HA HIS A 96 -6.151 16.035 0.796 1.00 25.00 H new ATOM 0 HB2 HIS A 96 -3.869 16.400 2.775 1.00 25.00 H new ATOM 0 HB3 HIS A 96 -5.274 17.420 2.537 1.00 25.00 H new ATOM 0 HD1 HIS A 96 -6.801 17.396 4.562 1.00 25.00 H new ATOM 0 HD2 HIS A 96 -4.817 13.736 3.955 1.00 25.00 H new ATOM 0 HE1 HIS A 96 -7.353 15.878 6.487 1.00 25.00 H new ATOM 1420 N TYR A 97 -3.965 17.158 -0.242 1.00 25.00 N ATOM 1421 CA TYR A 97 -2.708 17.716 -0.796 1.00 25.00 C ATOM 1422 C TYR A 97 -2.679 19.165 -0.332 1.00 25.00 C ATOM 1423 O TYR A 97 -3.713 19.924 -0.364 1.00 25.00 O ATOM 1424 CB TYR A 97 -2.723 17.641 -2.347 1.00 25.00 C ATOM 1425 CG TYR A 97 -2.812 16.212 -2.870 1.00 25.00 C ATOM 1426 CD1 TYR A 97 -4.053 15.653 -3.373 1.00 50.00 C ATOM 1427 CD2 TYR A 97 -1.660 15.383 -2.893 1.00 50.00 C ATOM 1428 CE1 TYR A 97 -4.033 14.379 -3.997 1.00 25.00 C ATOM 1429 CE2 TYR A 97 -1.692 14.107 -3.502 1.00 25.00 C ATOM 1430 CZ TYR A 97 -2.842 13.610 -4.079 1.00 25.00 C ATOM 1431 OH TYR A 97 -2.790 12.426 -4.805 1.00 25.00 O ATOM 0 H TYR A 97 -4.797 17.715 -0.435 1.00 25.00 H new ATOM 0 HA TYR A 97 -1.830 17.164 -0.461 1.00 25.00 H new ATOM 0 HB2 TYR A 97 -3.569 18.215 -2.725 1.00 25.00 H new ATOM 0 HB3 TYR A 97 -1.820 18.110 -2.737 1.00 25.00 H new ATOM 0 HD1 TYR A 97 -4.979 16.199 -3.274 1.00 50.00 H new ATOM 0 HD2 TYR A 97 -0.745 15.732 -2.438 1.00 50.00 H new ATOM 0 HE1 TYR A 97 -4.945 13.985 -4.420 1.00 25.00 H new ATOM 0 HE2 TYR A 97 -0.794 13.507 -3.516 1.00 25.00 H new ATOM 0 HH TYR A 97 -1.868 12.258 -5.091 1.00 25.00 H new ATOM 1441 N TYR A 98 -1.538 19.476 0.218 1.00 25.00 N ATOM 1442 CA TYR A 98 -1.142 20.750 0.742 1.00 25.00 C ATOM 1443 C TYR A 98 -0.052 21.220 -0.190 1.00 25.00 C ATOM 1444 O TYR A 98 0.697 20.451 -0.685 1.00 25.00 O ATOM 1445 CB TYR A 98 -0.540 20.653 2.115 1.00 25.00 C ATOM 1446 CG TYR A 98 -1.532 20.332 3.181 1.00 25.00 C ATOM 1447 CD1 TYR A 98 -1.789 19.004 3.613 1.00 50.00 C ATOM 1448 CD2 TYR A 98 -2.281 21.363 3.807 1.00 50.00 C ATOM 1449 CE1 TYR A 98 -2.782 18.762 4.619 1.00 25.00 C ATOM 1450 CE2 TYR A 98 -3.263 21.075 4.783 1.00 25.00 C ATOM 1451 CZ TYR A 98 -3.558 19.835 5.130 1.00 25.00 C ATOM 1452 OH TYR A 98 -4.567 19.558 6.040 1.00 25.00 O ATOM 0 H TYR A 98 -0.798 18.781 0.319 1.00 25.00 H new ATOM 0 HA TYR A 98 -2.009 21.407 0.813 1.00 25.00 H new ATOM 0 HB2 TYR A 98 0.235 19.887 2.109 1.00 25.00 H new ATOM 0 HB3 TYR A 98 -0.053 21.598 2.356 1.00 25.00 H new ATOM 0 HD1 TYR A 98 -1.239 18.179 3.185 1.00 50.00 H new ATOM 0 HD2 TYR A 98 -2.097 22.391 3.531 1.00 50.00 H new ATOM 0 HE1 TYR A 98 -2.940 17.760 4.989 1.00 25.00 H new ATOM 0 HE2 TYR A 98 -3.786 21.892 5.258 1.00 25.00 H new ATOM 0 HH TYR A 98 -5.010 20.392 6.301 1.00 25.00 H new ATOM 1462 N ILE A 99 0.074 22.532 -0.185 1.00 25.00 N ATOM 1463 CA ILE A 99 1.127 23.234 -0.943 1.00 25.00 C ATOM 1464 C ILE A 99 1.823 24.336 -0.101 1.00 25.00 C ATOM 1465 O ILE A 99 1.222 24.798 0.878 1.00 25.00 O ATOM 1466 CB ILE A 99 0.655 23.931 -2.268 1.00 25.00 C ATOM 1467 CG1 ILE A 99 -0.434 24.993 -2.017 1.00 25.00 C ATOM 1468 CG2 ILE A 99 0.321 22.776 -3.318 1.00 25.00 C ATOM 1469 CD1 ILE A 99 -0.729 25.846 -3.256 1.00 25.00 C ATOM 0 H ILE A 99 -0.542 23.153 0.339 1.00 25.00 H new ATOM 0 HA ILE A 99 1.806 22.420 -1.198 1.00 25.00 H new ATOM 0 HB ILE A 99 1.440 24.542 -2.714 1.00 25.00 H new ATOM 0 HG12 ILE A 99 -1.350 24.498 -1.696 1.00 25.00 H new ATOM 0 HG13 ILE A 99 -0.120 25.643 -1.200 1.00 25.00 H new ATOM 0 HG21 ILE A 99 -0.012 23.222 -4.255 1.00 25.00 H new ATOM 0 HG22 ILE A 99 1.214 22.178 -3.498 1.00 25.00 H new ATOM 0 HG23 ILE A 99 -0.468 22.139 -2.919 1.00 25.00 H new ATOM 0 HD11 ILE A 99 -1.503 26.576 -3.019 1.00 25.00 H new ATOM 0 HD12 ILE A 99 0.178 26.366 -3.564 1.00 25.00 H new ATOM 0 HD13 ILE A 99 -1.072 25.203 -4.067 1.00 25.00 H new ATOM 1481 N THR A 100 3.039 24.671 -0.466 1.00 25.00 N ATOM 1482 CA THR A 100 3.756 25.847 0.051 1.00 25.00 C ATOM 1483 C THR A 100 3.216 27.205 -0.431 1.00 25.00 C ATOM 1484 O THR A 100 2.472 27.353 -1.383 1.00 25.00 O ATOM 1485 CB THR A 100 5.195 25.821 -0.336 1.00 25.00 C ATOM 1486 OG1 THR A 100 5.180 25.481 -1.734 1.00 25.00 O ATOM 1487 CG2 THR A 100 5.940 24.723 0.348 1.00 25.00 C ATOM 0 H THR A 100 3.580 24.133 -1.143 1.00 25.00 H new ATOM 0 HA THR A 100 3.608 25.770 1.128 1.00 25.00 H new ATOM 0 HB THR A 100 5.669 26.770 -0.084 1.00 25.00 H new ATOM 0 HG1 THR A 100 5.497 26.245 -2.260 1.00 25.00 H new ATOM 0 HG21 THR A 100 6.984 24.742 0.036 1.00 25.00 H new ATOM 0 HG22 THR A 100 5.881 24.861 1.428 1.00 25.00 H new ATOM 0 HG23 THR A 100 5.499 23.763 0.081 1.00 25.00 H new ATOM 1495 N LYS A 101 3.472 28.295 0.321 1.00 25.00 N ATOM 1496 CA LYS A 101 3.145 29.668 -0.090 1.00 25.00 C ATOM 1497 C LYS A 101 4.313 30.695 0.057 1.00 25.00 C ATOM 1498 O LYS A 101 4.557 31.243 1.083 1.00 25.00 O ATOM 1499 CB LYS A 101 1.932 30.136 0.721 1.00 25.00 C ATOM 1500 CG LYS A 101 1.369 31.460 0.152 1.00 25.00 C ATOM 1501 CD LYS A 101 0.244 31.934 1.063 1.00 25.00 C ATOM 1502 CE LYS A 101 -0.486 33.049 0.347 1.00 25.00 C ATOM 1503 NZ LYS A 101 -1.429 33.821 1.186 1.00 25.00 N1+ ATOM 0 H LYS A 101 3.916 28.242 1.238 1.00 25.00 H new ATOM 0 HA LYS A 101 2.934 29.634 -1.159 1.00 25.00 H new ATOM 0 HB2 LYS A 101 1.158 29.369 0.702 1.00 25.00 H new ATOM 0 HB3 LYS A 101 2.218 30.275 1.764 1.00 25.00 H new ATOM 0 HG2 LYS A 101 2.155 32.213 0.096 1.00 25.00 H new ATOM 0 HG3 LYS A 101 0.998 31.310 -0.862 1.00 25.00 H new ATOM 0 HD2 LYS A 101 -0.437 31.114 1.289 1.00 25.00 H new ATOM 0 HD3 LYS A 101 0.644 32.287 2.014 1.00 25.00 H new ATOM 0 HE2 LYS A 101 0.251 33.735 -0.070 1.00 25.00 H new ATOM 0 HE3 LYS A 101 -1.036 32.623 -0.492 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 -1.880 34.561 0.611 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 -2.158 33.184 1.565 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 -0.912 34.262 1.973 1.00 25.00 H new ATOM 1517 N LYS A 102 5.030 30.906 -1.037 1.00 25.00 N ATOM 1518 CA LYS A 102 6.076 31.944 -1.050 1.00 25.00 C ATOM 1519 C LYS A 102 5.380 33.318 -0.977 1.00 25.00 C ATOM 1520 O LYS A 102 4.283 33.479 -1.440 1.00 25.00 O ATOM 1521 CB LYS A 102 7.001 31.884 -2.323 1.00 25.00 C ATOM 1522 CG LYS A 102 8.328 31.227 -2.160 1.00 25.00 C ATOM 1523 CD LYS A 102 9.041 31.098 -3.491 1.00 25.00 C ATOM 1524 CE LYS A 102 10.387 30.391 -3.356 1.00 25.00 C ATOM 1525 NZ LYS A 102 11.469 31.310 -2.761 1.00 25.00 N1+ ATOM 0 H LYS A 102 4.920 30.392 -1.911 1.00 25.00 H new ATOM 0 HA LYS A 102 6.729 31.775 -0.194 1.00 25.00 H new ATOM 0 HB2 LYS A 102 6.459 31.363 -3.112 1.00 25.00 H new ATOM 0 HB3 LYS A 102 7.167 32.904 -2.670 1.00 25.00 H new ATOM 0 HG2 LYS A 102 8.942 31.806 -1.470 1.00 25.00 H new ATOM 0 HG3 LYS A 102 8.196 30.240 -1.717 1.00 25.00 H new ATOM 0 HD2 LYS A 102 8.410 30.546 -4.187 1.00 25.00 H new ATOM 0 HD3 LYS A 102 9.194 32.089 -3.917 1.00 25.00 H new ATOM 0 HE2 LYS A 102 10.272 29.511 -2.723 1.00 25.00 H new ATOM 0 HE3 LYS A 102 10.710 30.039 -4.335 1.00 25.00 H new ATOM 0 HZ1 LYS A 102 12.366 30.788 -2.688 1.00 25.00 H new ATOM 0 HZ2 LYS A 102 11.599 32.137 -3.378 1.00 25.00 H new ATOM 0 HZ3 LYS A 102 11.174 31.626 -1.815 1.00 25.00 H new ATOM 1539 N GLY A 103 6.083 34.371 -0.512 1.00 25.00 N ATOM 1540 CA GLY A 103 5.532 35.722 -0.548 1.00 25.00 C ATOM 1541 C GLY A 103 4.372 35.853 0.389 1.00 25.00 C ATOM 1542 O GLY A 103 3.270 36.333 0.117 1.00 25.00 O ATOM 0 H GLY A 103 7.020 34.304 -0.114 1.00 25.00 H new ATOM 0 HA2 GLY A 103 6.305 36.441 -0.278 1.00 25.00 H new ATOM 0 HA3 GLY A 103 5.214 35.962 -1.562 1.00 25.00 H new ATOM 1546 N TRP A 104 4.577 35.161 1.513 1.00 25.00 N ATOM 1547 CA TRP A 104 3.534 34.979 2.481 1.00 25.00 C ATOM 1548 C TRP A 104 3.171 36.298 3.135 1.00 25.00 C ATOM 1549 O TRP A 104 3.878 37.349 3.121 1.00 25.00 O ATOM 1550 CB TRP A 104 4.008 34.007 3.608 1.00 25.00 C ATOM 1551 CG TRP A 104 5.405 34.261 4.155 1.00 25.00 C ATOM 1552 CD1 TRP A 104 5.843 35.386 4.791 1.00 25.00 C ATOM 1553 CD2 TRP A 104 6.544 33.393 3.994 1.00 25.00 C ATOM 1554 NE1 TRP A 104 7.205 35.242 5.110 1.00 25.00 N ATOM 1555 CE2 TRP A 104 7.652 34.047 4.607 1.00 25.00 C ATOM 1556 CE3 TRP A 104 6.741 32.175 3.355 1.00 25.00 C ATOM 1557 CZ2 TRP A 104 8.957 33.476 4.609 1.00 25.00 C ATOM 1558 CZ3 TRP A 104 8.036 31.597 3.353 1.00 25.00 C ATOM 1559 CH2 TRP A 104 9.107 32.287 3.930 1.00 25.00 C ATOM 0 H TRP A 104 5.464 34.723 1.760 1.00 25.00 H new ATOM 0 HA TRP A 104 2.669 34.570 1.958 1.00 25.00 H new ATOM 0 HB2 TRP A 104 3.299 34.064 4.434 1.00 25.00 H new ATOM 0 HB3 TRP A 104 3.968 32.988 3.224 1.00 25.00 H new ATOM 0 HD1 TRP A 104 5.238 36.252 5.015 1.00 25.00 H new ATOM 0 HE1 TRP A 104 7.768 35.915 5.630 1.00 25.00 H new ATOM 0 HE3 TRP A 104 5.918 31.675 2.866 1.00 25.00 H new ATOM 0 HZ2 TRP A 104 9.785 33.950 5.116 1.00 25.00 H new ATOM 0 HZ3 TRP A 104 8.195 30.626 2.907 1.00 25.00 H new ATOM 0 HH2 TRP A 104 10.098 31.868 3.839 1.00 25.00 H new ATOM 1570 N ASP A 105 1.983 36.261 3.686 1.00 25.00 N ATOM 1571 CA ASP A 105 1.484 37.427 4.388 1.00 25.00 C ATOM 1572 C ASP A 105 2.374 37.615 5.675 1.00 25.00 C ATOM 1573 O ASP A 105 2.447 36.733 6.520 1.00 25.00 O ATOM 1574 CB ASP A 105 -0.014 37.306 4.688 1.00 25.00 C ATOM 1575 CG ASP A 105 -0.630 38.586 5.224 1.00 25.00 C ATOM 1576 OD1 ASP A 105 -0.166 39.243 6.191 1.00 25.00 O ATOM 1577 OD2 ASP A 105 -1.718 38.845 4.727 1.00 25.00 O1- ATOM 0 H ASP A 105 1.353 35.459 3.667 1.00 25.00 H new ATOM 0 HA ASP A 105 1.564 38.321 3.770 1.00 25.00 H new ATOM 0 HB2 ASP A 105 -0.536 37.015 3.777 1.00 25.00 H new ATOM 0 HB3 ASP A 105 -0.168 36.507 5.413 1.00 25.00 H new ATOM 1582 N PRO A 106 2.973 38.836 5.786 1.00 25.00 N ATOM 1583 CA PRO A 106 3.820 39.118 6.930 1.00 25.00 C ATOM 1584 C PRO A 106 3.138 39.375 8.286 1.00 25.00 C ATOM 1585 O PRO A 106 3.792 39.318 9.345 1.00 25.00 O ATOM 1586 CB PRO A 106 4.484 40.407 6.513 1.00 25.00 C ATOM 1587 CG PRO A 106 3.408 41.128 5.762 1.00 25.00 C ATOM 1588 CD PRO A 106 2.738 40.021 5.008 1.00 25.00 C ATOM 0 HA PRO A 106 4.441 38.243 7.125 1.00 25.00 H new ATOM 0 HB2 PRO A 106 4.825 40.980 7.375 1.00 25.00 H new ATOM 0 HB3 PRO A 106 5.357 40.224 5.887 1.00 25.00 H new ATOM 0 HG2 PRO A 106 2.717 41.637 6.433 1.00 25.00 H new ATOM 0 HG3 PRO A 106 3.818 41.884 5.093 1.00 25.00 H new ATOM 0 HD2 PRO A 106 1.671 40.212 4.895 1.00 25.00 H new ATOM 0 HD3 PRO A 106 3.152 39.921 4.005 1.00 25.00 H new ATOM 1596 N ASP A 107 1.845 39.683 8.326 1.00 25.00 N ATOM 1597 CA ASP A 107 1.090 40.001 9.560 1.00 25.00 C ATOM 1598 C ASP A 107 0.469 38.734 10.076 1.00 25.00 C ATOM 1599 O ASP A 107 -0.397 38.712 10.981 1.00 25.00 O ATOM 1600 CB ASP A 107 -0.054 41.049 9.352 1.00 25.00 C ATOM 1601 CG ASP A 107 -0.290 41.946 10.577 1.00 25.00 C ATOM 1602 OD1 ASP A 107 -0.777 43.048 10.352 1.00 75.00 O ATOM 1603 OD2 ASP A 107 0.100 41.632 11.695 1.00 75.00 O1- ATOM 0 H ASP A 107 1.268 39.723 7.486 1.00 25.00 H new ATOM 0 HA ASP A 107 1.803 40.438 10.260 1.00 25.00 H new ATOM 0 HB2 ASP A 107 0.189 41.675 8.494 1.00 25.00 H new ATOM 0 HB3 ASP A 107 -0.978 40.524 9.112 1.00 25.00 H new ATOM 1608 N LYS A 108 0.887 37.683 9.431 1.00 25.00 N ATOM 1609 CA LYS A 108 0.383 36.339 9.791 1.00 25.00 C ATOM 1610 C LYS A 108 1.458 35.347 10.184 1.00 25.00 C ATOM 1611 O LYS A 108 2.601 35.601 9.850 1.00 25.00 O ATOM 1612 CB LYS A 108 -0.441 35.843 8.564 1.00 25.00 C ATOM 1613 CG LYS A 108 -1.708 36.746 8.458 1.00 25.00 C ATOM 1614 CD LYS A 108 -2.585 36.157 7.354 1.00 25.00 C ATOM 1615 CE LYS A 108 -3.657 37.154 7.082 1.00 25.00 C ATOM 1616 NZ LYS A 108 -4.719 36.660 6.233 1.00 25.00 N1+ ATOM 0 H LYS A 108 1.561 37.702 8.665 1.00 25.00 H new ATOM 0 HA LYS A 108 -0.227 36.415 10.691 1.00 25.00 H new ATOM 0 HB2 LYS A 108 0.153 35.906 7.652 1.00 25.00 H new ATOM 0 HB3 LYS A 108 -0.724 34.798 8.689 1.00 25.00 H new ATOM 0 HG2 LYS A 108 -2.245 36.769 9.406 1.00 25.00 H new ATOM 0 HG3 LYS A 108 -1.431 37.774 8.223 1.00 25.00 H new ATOM 0 HD2 LYS A 108 -1.999 35.964 6.456 1.00 25.00 H new ATOM 0 HD3 LYS A 108 -3.013 35.204 7.666 1.00 25.00 H new ATOM 0 HE2 LYS A 108 -4.085 37.479 8.030 1.00 25.00 H new ATOM 0 HE3 LYS A 108 -3.212 38.033 6.615 1.00 25.00 H new ATOM 0 HZ1 LYS A 108 -5.426 37.409 6.090 1.00 25.00 H new ATOM 0 HZ2 LYS A 108 -4.325 36.376 5.314 1.00 25.00 H new ATOM 0 HZ3 LYS A 108 -5.171 35.839 6.685 1.00 25.00 H new ATOM 1630 N PRO A 109 1.108 34.234 10.861 1.00 25.00 N ATOM 1631 CA PRO A 109 2.169 33.424 11.463 1.00 25.00 C ATOM 1632 C PRO A 109 2.928 32.550 10.568 1.00 25.00 C ATOM 1633 O PRO A 109 2.575 31.415 10.309 1.00 25.00 O ATOM 1634 CB PRO A 109 1.432 32.760 12.593 1.00 25.00 C ATOM 1635 CG PRO A 109 0.024 32.474 12.181 1.00 25.00 C ATOM 1636 CD PRO A 109 -0.185 33.579 11.108 1.00 25.00 C ATOM 0 HA PRO A 109 3.020 34.018 11.795 1.00 25.00 H new ATOM 0 HB2 PRO A 109 1.934 31.834 12.872 1.00 25.00 H new ATOM 0 HB3 PRO A 109 1.440 33.404 13.472 1.00 25.00 H new ATOM 0 HG2 PRO A 109 -0.093 31.471 11.771 1.00 25.00 H new ATOM 0 HG3 PRO A 109 -0.677 32.563 13.011 1.00 25.00 H new ATOM 0 HD2 PRO A 109 -0.573 33.145 10.186 1.00 25.00 H new ATOM 0 HD3 PRO A 109 -0.920 34.307 11.451 1.00 25.00 H new ATOM 1644 N LEU A 110 4.047 33.083 10.128 1.00 25.00 N ATOM 1645 CA LEU A 110 4.968 32.512 9.156 1.00 25.00 C ATOM 1646 C LEU A 110 4.897 30.982 8.961 1.00 25.00 C ATOM 1647 O LEU A 110 4.662 30.528 7.876 1.00 25.00 O ATOM 1648 CB LEU A 110 6.399 32.873 9.597 1.00 25.00 C ATOM 1649 CG LEU A 110 7.525 32.851 8.497 1.00 25.00 C ATOM 1650 CD1 LEU A 110 8.616 33.867 8.771 1.00 50.00 C ATOM 1651 CD2 LEU A 110 8.123 31.456 8.219 1.00 50.00 C ATOM 0 H LEU A 110 4.364 33.993 10.462 1.00 25.00 H new ATOM 0 HA LEU A 110 4.677 32.935 8.195 1.00 25.00 H new ATOM 0 HB2 LEU A 110 6.375 33.871 10.034 1.00 25.00 H new ATOM 0 HB3 LEU A 110 6.690 32.185 10.391 1.00 25.00 H new ATOM 0 HG LEU A 110 7.011 33.139 7.580 1.00 25.00 H new ATOM 0 HD11 LEU A 110 9.369 33.813 7.985 1.00 50.00 H new ATOM 0 HD12 LEU A 110 8.184 34.868 8.792 1.00 50.00 H new ATOM 0 HD13 LEU A 110 9.080 33.652 9.733 1.00 50.00 H new ATOM 0 HD21 LEU A 110 8.890 31.536 7.449 1.00 50.00 H new ATOM 0 HD22 LEU A 110 8.567 31.061 9.133 1.00 50.00 H new ATOM 0 HD23 LEU A 110 7.335 30.784 7.878 1.00 50.00 H new ATOM 1663 N LYS A 111 5.140 30.149 9.974 1.00 25.00 N ATOM 1664 CA LYS A 111 5.312 28.698 9.774 1.00 25.00 C ATOM 1665 C LYS A 111 3.986 27.939 9.562 1.00 25.00 C ATOM 1666 O LYS A 111 3.899 26.740 9.391 1.00 25.00 O ATOM 1667 CB LYS A 111 6.019 28.076 10.980 1.00 25.00 C ATOM 1668 CG LYS A 111 7.374 28.611 11.130 1.00 25.00 C ATOM 1669 CD LYS A 111 8.020 28.234 12.482 1.00 25.00 C ATOM 1670 CE LYS A 111 7.347 28.929 13.730 1.00 25.00 C ATOM 1671 NZ LYS A 111 8.375 28.854 14.807 1.00 25.00 N1+ ATOM 0 H LYS A 111 5.223 30.449 10.945 1.00 25.00 H new ATOM 0 HA LYS A 111 5.906 28.599 8.865 1.00 25.00 H new ATOM 0 HB2 LYS A 111 5.444 28.274 11.885 1.00 25.00 H new ATOM 0 HB3 LYS A 111 6.063 26.993 10.861 1.00 25.00 H new ATOM 0 HG2 LYS A 111 7.999 28.239 10.318 1.00 25.00 H new ATOM 0 HG3 LYS A 111 7.343 29.697 11.037 1.00 25.00 H new ATOM 0 HD2 LYS A 111 7.968 27.153 12.609 1.00 25.00 H new ATOM 0 HD3 LYS A 111 9.076 28.501 12.456 1.00 25.00 H new ATOM 0 HE2 LYS A 111 7.079 29.962 13.510 1.00 25.00 H new ATOM 0 HE3 LYS A 111 6.430 28.417 14.022 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 8.004 29.296 15.672 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 8.606 27.858 14.998 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 9.234 29.356 14.503 1.00 25.00 H new ATOM 1685 N ARG A 112 2.938 28.756 9.530 1.00 25.00 N ATOM 1686 CA ARG A 112 1.618 28.444 9.135 1.00 25.00 C ATOM 1687 C ARG A 112 1.177 29.325 7.921 1.00 25.00 C ATOM 1688 O ARG A 112 0.509 28.898 7.007 1.00 25.00 O ATOM 1689 CB ARG A 112 0.589 28.873 10.236 1.00 25.00 C ATOM 1690 CG ARG A 112 0.661 28.012 11.542 1.00 25.00 C ATOM 1691 CD ARG A 112 -0.420 28.228 12.434 1.00 25.00 C ATOM 1692 NE ARG A 112 -0.490 27.238 13.503 1.00 25.00 N ATOM 1693 CZ ARG A 112 -1.511 26.982 14.330 1.00 25.00 C ATOM 1694 NH1 ARG A 112 -2.662 27.561 14.326 1.00 25.00 N1+ ATOM 1695 NH2 ARG A 112 -1.344 26.054 15.240 1.00 25.00 N ATOM 0 H ARG A 112 3.026 29.733 9.809 1.00 25.00 H new ATOM 0 HA ARG A 112 1.622 27.374 8.927 1.00 25.00 H new ATOM 0 HB2 ARG A 112 0.760 29.919 10.492 1.00 25.00 H new ATOM 0 HB3 ARG A 112 -0.418 28.807 9.824 1.00 25.00 H new ATOM 0 HG2 ARG A 112 0.688 26.957 11.269 1.00 25.00 H new ATOM 0 HG3 ARG A 112 1.595 28.232 12.059 1.00 25.00 H new ATOM 0 HD2 ARG A 112 -0.327 29.221 12.873 1.00 25.00 H new ATOM 0 HD3 ARG A 112 -1.354 28.214 11.873 1.00 25.00 H new ATOM 0 HE ARG A 112 0.345 26.668 13.637 1.00 25.00 H new ATOM 0 HH11 ARG A 112 -2.862 28.293 13.644 1.00 25.00 H new ATOM 0 HH12 ARG A 112 -3.373 27.288 15.005 1.00 25.00 H new ATOM 0 HH21 ARG A 112 -0.457 25.553 15.301 1.00 25.00 H new ATOM 0 HH22 ARG A 112 -2.101 25.832 15.887 1.00 25.00 H new ATOM 1709 N ALA A 113 1.511 30.624 7.953 1.00 25.00 N ATOM 1710 CA ALA A 113 1.253 31.500 6.843 1.00 25.00 C ATOM 1711 C ALA A 113 1.912 30.988 5.541 1.00 25.00 C ATOM 1712 O ALA A 113 1.482 31.425 4.414 1.00 25.00 O ATOM 1713 CB ALA A 113 1.601 32.991 7.159 1.00 25.00 C ATOM 0 H ALA A 113 1.962 31.075 8.749 1.00 25.00 H new ATOM 0 HA ALA A 113 0.177 31.483 6.671 1.00 25.00 H new ATOM 0 HB1 ALA A 113 1.387 33.608 6.286 1.00 25.00 H new ATOM 0 HB2 ALA A 113 1.001 33.334 8.002 1.00 25.00 H new ATOM 0 HB3 ALA A 113 2.659 33.072 7.410 1.00 25.00 H new ATOM 1719 N ASP A 114 2.838 30.063 5.702 1.00 25.00 N ATOM 1720 CA ASP A 114 3.599 29.520 4.530 1.00 25.00 C ATOM 1721 C ASP A 114 3.155 28.184 3.920 1.00 25.00 C ATOM 1722 O ASP A 114 3.884 27.638 3.034 1.00 25.00 O ATOM 1723 CB ASP A 114 5.079 29.438 4.796 1.00 25.00 C ATOM 1724 CG ASP A 114 5.430 28.110 5.651 1.00 25.00 C ATOM 1725 OD1 ASP A 114 6.467 27.472 5.433 1.00 25.00 O ATOM 1726 OD2 ASP A 114 4.611 27.680 6.468 1.00 25.00 O1- ATOM 0 H ASP A 114 3.098 29.661 6.603 1.00 25.00 H new ATOM 0 HA ASP A 114 3.351 30.272 3.781 1.00 25.00 H new ATOM 0 HB2 ASP A 114 5.624 29.424 3.852 1.00 25.00 H new ATOM 0 HB3 ASP A 114 5.406 30.324 5.340 1.00 25.00 H new ATOM 1731 N PHE A 115 1.949 27.758 4.221 1.00 25.00 N ATOM 1732 CA PHE A 115 1.390 26.631 3.467 1.00 25.00 C ATOM 1733 C PHE A 115 -0.164 26.874 3.311 1.00 25.00 C ATOM 1734 O PHE A 115 -0.732 27.659 4.078 1.00 25.00 O ATOM 1735 CB PHE A 115 1.662 25.351 4.259 1.00 25.00 C ATOM 1736 CG PHE A 115 0.697 25.141 5.375 1.00 25.00 C ATOM 1737 CD1 PHE A 115 0.801 25.818 6.612 1.00 50.00 C ATOM 1738 CD2 PHE A 115 -0.427 24.297 5.161 1.00 50.00 C ATOM 1739 CE1 PHE A 115 -0.063 25.537 7.611 1.00 25.00 C ATOM 1740 CE2 PHE A 115 -1.323 23.933 6.230 1.00 25.00 C ATOM 1741 CZ PHE A 115 -1.154 24.551 7.485 1.00 25.00 C ATOM 0 H PHE A 115 1.349 28.147 4.948 1.00 25.00 H new ATOM 0 HA PHE A 115 1.840 26.541 2.478 1.00 25.00 H new ATOM 0 HB2 PHE A 115 1.620 24.496 3.584 1.00 25.00 H new ATOM 0 HB3 PHE A 115 2.674 25.388 4.663 1.00 25.00 H new ATOM 0 HD1 PHE A 115 1.572 26.560 6.758 1.00 50.00 H new ATOM 0 HD2 PHE A 115 -0.615 23.917 4.168 1.00 50.00 H new ATOM 0 HE1 PHE A 115 0.050 26.060 8.549 1.00 25.00 H new ATOM 0 HE2 PHE A 115 -2.105 23.204 6.073 1.00 25.00 H new ATOM 0 HZ PHE A 115 -1.796 24.313 8.320 1.00 25.00 H new ATOM 1751 N GLU A 116 -0.775 26.173 2.338 1.00 25.00 N ATOM 1752 CA GLU A 116 -2.214 26.213 2.134 1.00 25.00 C ATOM 1753 C GLU A 116 -2.608 24.769 1.809 1.00 25.00 C ATOM 1754 O GLU A 116 -1.834 23.973 1.264 1.00 25.00 O ATOM 1755 CB GLU A 116 -2.589 27.105 0.921 1.00 25.00 C ATOM 1756 CG GLU A 116 -2.451 28.630 1.053 1.00 25.00 C ATOM 1757 CD GLU A 116 -2.655 29.369 -0.295 1.00 25.00 C ATOM 1758 OE1 GLU A 116 -3.780 29.814 -0.559 1.00 25.00 O ATOM 1759 OE2 GLU A 116 -1.735 29.453 -1.129 1.00 25.00 O1- ATOM 0 H GLU A 116 -0.279 25.570 1.681 1.00 25.00 H new ATOM 0 HA GLU A 116 -2.718 26.619 3.011 1.00 25.00 H new ATOM 0 HB2 GLU A 116 -1.975 26.790 0.077 1.00 25.00 H new ATOM 0 HB3 GLU A 116 -3.625 26.889 0.660 1.00 25.00 H new ATOM 0 HG2 GLU A 116 -3.180 28.995 1.777 1.00 25.00 H new ATOM 0 HG3 GLU A 116 -1.463 28.868 1.447 1.00 25.00 H new ATOM 1766 N LEU A 117 -3.874 24.491 2.020 1.00 25.00 N ATOM 1767 CA LEU A 117 -4.418 23.257 1.408 1.00 25.00 C ATOM 1768 C LEU A 117 -4.747 23.614 -0.043 1.00 25.00 C ATOM 1769 O LEU A 117 -5.360 24.661 -0.271 1.00 25.00 O ATOM 1770 CB LEU A 117 -5.707 22.857 2.102 1.00 25.00 C ATOM 1771 CG LEU A 117 -6.407 21.553 1.719 1.00 25.00 C ATOM 1772 CD1 LEU A 117 -5.635 20.377 2.331 1.00 50.00 C ATOM 1773 CD2 LEU A 117 -7.814 21.602 2.260 1.00 50.00 C ATOM 0 H LEU A 117 -4.527 25.049 2.571 1.00 25.00 H new ATOM 0 HA LEU A 117 -3.705 22.436 1.488 1.00 25.00 H new ATOM 0 HB2 LEU A 117 -5.499 22.812 3.171 1.00 25.00 H new ATOM 0 HB3 LEU A 117 -6.422 23.666 1.950 1.00 25.00 H new ATOM 0 HG LEU A 117 -6.437 21.425 0.637 1.00 25.00 H new ATOM 0 HD11 LEU A 117 -6.126 19.441 2.064 1.00 50.00 H new ATOM 0 HD12 LEU A 117 -4.614 20.373 1.949 1.00 50.00 H new ATOM 0 HD13 LEU A 117 -5.616 20.480 3.416 1.00 50.00 H new ATOM 0 HD21 LEU A 117 -8.336 20.681 2.000 1.00 50.00 H new ATOM 0 HD22 LEU A 117 -7.783 21.708 3.344 1.00 50.00 H new ATOM 0 HD23 LEU A 117 -8.341 22.453 1.827 1.00 50.00 H new ATOM 1785 N ILE A 118 -4.423 22.722 -0.969 1.00 25.00 N ATOM 1786 CA ILE A 118 -4.880 22.840 -2.319 1.00 25.00 C ATOM 1787 C ILE A 118 -6.166 22.022 -2.567 1.00 25.00 C ATOM 1788 O ILE A 118 -7.020 22.547 -3.312 1.00 25.00 O ATOM 1789 CB ILE A 118 -3.671 22.628 -3.399 1.00 25.00 C ATOM 1790 CG1 ILE A 118 -4.061 23.138 -4.782 1.00 25.00 C ATOM 1791 CG2 ILE A 118 -3.293 21.171 -3.586 1.00 25.00 C ATOM 1792 CD1 ILE A 118 -2.868 23.277 -5.789 1.00 25.00 C ATOM 0 H ILE A 118 -3.838 21.905 -0.792 1.00 25.00 H new ATOM 0 HA ILE A 118 -5.194 23.870 -2.489 1.00 25.00 H new ATOM 0 HB ILE A 118 -2.832 23.186 -2.983 1.00 25.00 H new ATOM 0 HG12 ILE A 118 -4.802 22.461 -5.208 1.00 25.00 H new ATOM 0 HG13 ILE A 118 -4.542 24.110 -4.674 1.00 25.00 H new ATOM 0 HG21 ILE A 118 -2.486 21.095 -4.314 1.00 25.00 H new ATOM 0 HG22 ILE A 118 -2.963 20.756 -2.634 1.00 25.00 H new ATOM 0 HG23 ILE A 118 -4.158 20.614 -3.944 1.00 25.00 H new ATOM 0 HD11 ILE A 118 -3.240 23.646 -6.745 1.00 25.00 H new ATOM 0 HD12 ILE A 118 -2.135 23.978 -5.390 1.00 25.00 H new ATOM 0 HD13 ILE A 118 -2.398 22.304 -5.933 1.00 25.00 H new ATOM 1804 N GLY A 119 -6.375 20.960 -1.808 1.00 25.00 N ATOM 1805 CA GLY A 119 -7.570 20.172 -1.858 1.00 25.00 C ATOM 1806 C GLY A 119 -7.490 18.951 -0.973 1.00 25.00 C ATOM 1807 O GLY A 119 -6.445 18.518 -0.542 1.00 25.00 O ATOM 0 H GLY A 119 -5.695 20.623 -1.127 1.00 25.00 H new ATOM 0 HA2 GLY A 119 -8.419 20.784 -1.553 1.00 25.00 H new ATOM 0 HA3 GLY A 119 -7.755 19.861 -2.886 1.00 25.00 H new ATOM 1811 N ALA A 120 -8.667 18.435 -0.558 1.00 25.00 N ATOM 1812 CA ALA A 120 -8.756 17.204 0.090 1.00 25.00 C ATOM 1813 C ALA A 120 -9.837 16.399 -0.571 1.00 25.00 C ATOM 1814 O ALA A 120 -10.919 16.882 -1.015 1.00 25.00 O ATOM 1815 CB ALA A 120 -8.958 17.380 1.604 1.00 25.00 C ATOM 0 H ALA A 120 -9.564 18.903 -0.687 1.00 25.00 H new ATOM 0 HA ALA A 120 -7.819 16.655 -0.005 1.00 25.00 H new ATOM 0 HB1 ALA A 120 -9.023 16.401 2.079 1.00 25.00 H new ATOM 0 HB2 ALA A 120 -8.115 17.930 2.022 1.00 25.00 H new ATOM 0 HB3 ALA A 120 -9.879 17.934 1.786 1.00 25.00 H new ATOM 1821 N VAL A 121 -9.581 15.127 -0.657 1.00 25.00 N ATOM 1822 CA VAL A 121 -10.466 14.183 -1.320 1.00 25.00 C ATOM 1823 C VAL A 121 -10.977 13.186 -0.269 1.00 25.00 C ATOM 1824 O VAL A 121 -10.277 12.202 0.081 1.00 25.00 O ATOM 1825 CB VAL A 121 -9.647 13.439 -2.367 1.00 25.00 C ATOM 1826 CG1 VAL A 121 -10.508 12.480 -3.181 1.00 50.00 C ATOM 1827 CG2 VAL A 121 -8.996 14.379 -3.391 1.00 50.00 C ATOM 0 H VAL A 121 -8.742 14.698 -0.266 1.00 25.00 H new ATOM 0 HA VAL A 121 -11.310 14.689 -1.789 1.00 25.00 H new ATOM 0 HB VAL A 121 -8.887 12.911 -1.791 1.00 25.00 H new ATOM 0 HG11 VAL A 121 -9.887 11.969 -3.917 1.00 50.00 H new ATOM 0 HG12 VAL A 121 -10.962 11.745 -2.516 1.00 50.00 H new ATOM 0 HG13 VAL A 121 -11.291 13.039 -3.693 1.00 50.00 H new ATOM 0 HG21 VAL A 121 -8.426 13.793 -4.112 1.00 50.00 H new ATOM 0 HG22 VAL A 121 -9.770 14.941 -3.912 1.00 50.00 H new ATOM 0 HG23 VAL A 121 -8.329 15.071 -2.877 1.00 50.00 H new ATOM 1837 N PRO A 122 -12.163 13.452 0.256 1.00 25.00 N ATOM 1838 CA PRO A 122 -12.561 12.534 1.334 1.00 25.00 C ATOM 1839 C PRO A 122 -12.916 11.150 0.763 1.00 25.00 C ATOM 1840 O PRO A 122 -13.179 11.016 -0.445 1.00 25.00 O ATOM 1841 CB PRO A 122 -13.673 13.281 2.026 1.00 25.00 C ATOM 1842 CG PRO A 122 -14.230 14.205 1.059 1.00 25.00 C ATOM 1843 CD PRO A 122 -13.122 14.555 0.110 1.00 25.00 C ATOM 0 HA PRO A 122 -11.781 12.288 2.055 1.00 25.00 H new ATOM 0 HB2 PRO A 122 -14.437 12.591 2.384 1.00 25.00 H new ATOM 0 HB3 PRO A 122 -13.294 13.816 2.897 1.00 25.00 H new ATOM 0 HG2 PRO A 122 -15.066 13.751 0.527 1.00 25.00 H new ATOM 0 HG3 PRO A 122 -14.613 15.098 1.553 1.00 25.00 H new ATOM 0 HD2 PRO A 122 -13.485 14.634 -0.915 1.00 25.00 H new ATOM 0 HD3 PRO A 122 -12.669 15.513 0.363 1.00 25.00 H new ATOM 1851 N HIS A 123 -12.883 10.141 1.578 1.00 25.00 N ATOM 1852 CA HIS A 123 -13.010 8.774 1.141 1.00 25.00 C ATOM 1853 C HIS A 123 -13.857 7.869 2.037 1.00 25.00 C ATOM 1854 O HIS A 123 -13.445 6.803 2.485 1.00 25.00 O ATOM 1855 CB HIS A 123 -11.590 8.177 0.893 1.00 25.00 C ATOM 1856 CG HIS A 123 -11.568 6.887 0.117 1.00 25.00 C ATOM 1857 ND1 HIS A 123 -11.300 5.622 0.500 1.00 25.00 N flip ATOM 1858 CD2 HIS A 123 -11.880 6.795 -1.248 1.00 25.00 C flip ATOM 1859 CE1 HIS A 123 -11.497 4.774 -0.544 1.00 25.00 C flip ATOM 1860 NE2 HIS A 123 -11.872 5.483 -1.595 1.00 25.00 N flip ATOM 0 H HIS A 123 -12.765 10.241 2.586 1.00 25.00 H new ATOM 0 HA HIS A 123 -13.577 8.807 0.210 1.00 25.00 H new ATOM 0 HB2 HIS A 123 -10.991 8.915 0.359 1.00 25.00 H new ATOM 0 HB3 HIS A 123 -11.109 8.012 1.857 1.00 25.00 H new ATOM 0 HD1 HIS A 123 -10.995 5.343 1.433 1.00 25.00 H new ATOM 0 HD2 HIS A 123 -12.090 7.624 -1.908 1.00 25.00 H new ATOM 0 HE1 HIS A 123 -11.369 3.702 -0.519 1.00 25.00 H new ATOM 1868 N ASP A 124 -14.999 8.409 2.365 1.00 25.00 N ATOM 1869 CA ASP A 124 -15.911 7.707 3.224 1.00 25.00 C ATOM 1870 C ASP A 124 -17.154 7.332 2.365 1.00 25.00 C ATOM 1871 O ASP A 124 -17.809 6.374 2.735 1.00 25.00 O ATOM 1872 CB ASP A 124 -16.264 8.589 4.419 1.00 25.00 C ATOM 1873 CG ASP A 124 -17.328 9.656 4.117 1.00 25.00 C ATOM 1874 OD1 ASP A 124 -17.073 10.520 3.169 1.00 50.00 O ATOM 1875 OD2 ASP A 124 -18.389 9.697 4.726 1.00 50.00 O1- ATOM 0 H ASP A 124 -15.318 9.326 2.053 1.00 25.00 H new ATOM 0 HA ASP A 124 -15.475 6.794 3.630 1.00 25.00 H new ATOM 0 HB2 ASP A 124 -16.620 7.956 5.232 1.00 25.00 H new ATOM 0 HB3 ASP A 124 -15.359 9.083 4.772 1.00 25.00 H new ATOM 1880 N GLY A 125 -17.416 8.084 1.290 1.00 25.00 N ATOM 1881 CA GLY A 125 -18.612 7.871 0.462 1.00 25.00 C ATOM 1882 C GLY A 125 -18.503 8.490 -0.938 1.00 25.00 C ATOM 1883 O GLY A 125 -19.398 9.143 -1.498 1.00 25.00 O ATOM 0 H GLY A 125 -16.817 8.846 0.972 1.00 25.00 H new ATOM 0 HA2 GLY A 125 -18.791 6.800 0.365 1.00 25.00 H new ATOM 0 HA3 GLY A 125 -19.478 8.294 0.972 1.00 25.00 H new ATOM 1887 N SER A 126 -17.301 8.364 -1.538 1.00 25.00 N ATOM 1888 CA SER A 126 -16.806 9.303 -2.568 1.00 25.00 C ATOM 1889 C SER A 126 -17.421 8.919 -3.896 1.00 25.00 C ATOM 1890 O SER A 126 -17.525 7.685 -4.191 1.00 25.00 O ATOM 1891 CB SER A 126 -15.257 9.210 -2.718 1.00 25.00 C ATOM 1892 OG SER A 126 -14.670 10.030 -3.708 1.00 25.00 O ATOM 0 H SER A 126 -16.647 7.611 -1.323 1.00 25.00 H new ATOM 0 HA SER A 126 -17.076 10.317 -2.271 1.00 25.00 H new ATOM 0 HB2 SER A 126 -14.806 9.458 -1.757 1.00 25.00 H new ATOM 0 HB3 SER A 126 -14.997 8.174 -2.934 1.00 25.00 H new ATOM 0 HG SER A 126 -14.929 9.707 -4.596 1.00 25.00 H new ATOM 1898 N PRO A 127 -17.702 9.892 -4.791 1.00 25.00 N ATOM 1899 CA PRO A 127 -18.098 9.686 -6.221 1.00 25.00 C ATOM 1900 C PRO A 127 -16.841 9.256 -6.976 1.00 25.00 C ATOM 1901 O PRO A 127 -15.781 9.045 -6.339 1.00 25.00 O ATOM 1902 CB PRO A 127 -18.660 11.036 -6.639 1.00 25.00 C ATOM 1903 CG PRO A 127 -17.932 12.037 -5.857 1.00 25.00 C ATOM 1904 CD PRO A 127 -17.657 11.339 -4.489 1.00 25.00 C ATOM 0 HA PRO A 127 -18.843 8.914 -6.414 1.00 25.00 H new ATOM 0 HB2 PRO A 127 -18.523 11.201 -7.708 1.00 25.00 H new ATOM 0 HB3 PRO A 127 -19.731 11.091 -6.442 1.00 25.00 H new ATOM 0 HG2 PRO A 127 -17.003 12.326 -6.349 1.00 25.00 H new ATOM 0 HG3 PRO A 127 -18.521 12.945 -5.728 1.00 25.00 H new ATOM 0 HD2 PRO A 127 -16.688 11.629 -4.084 1.00 25.00 H new ATOM 0 HD3 PRO A 127 -18.407 11.612 -3.747 1.00 25.00 H new ATOM 1912 N ALA A 128 -16.842 9.221 -8.313 1.00 25.00 N ATOM 1913 CA ALA A 128 -15.591 8.903 -9.094 1.00 25.00 C ATOM 1914 C ALA A 128 -14.285 9.598 -8.791 1.00 25.00 C ATOM 1915 O ALA A 128 -13.281 9.037 -9.167 1.00 25.00 O ATOM 1916 CB ALA A 128 -15.946 9.027 -10.609 1.00 25.00 C ATOM 0 H ALA A 128 -17.665 9.401 -8.888 1.00 25.00 H new ATOM 0 HA ALA A 128 -15.334 7.899 -8.756 1.00 25.00 H new ATOM 0 HB1 ALA A 128 -15.064 8.804 -11.209 1.00 25.00 H new ATOM 0 HB2 ALA A 128 -16.740 8.322 -10.855 1.00 25.00 H new ATOM 0 HB3 ALA A 128 -16.282 10.042 -10.822 1.00 25.00 H new ATOM 1922 N SER A 129 -14.242 10.731 -8.114 1.00 25.00 N ATOM 1923 CA SER A 129 -13.034 11.268 -7.469 1.00 25.00 C ATOM 1924 C SER A 129 -12.338 10.310 -6.557 1.00 25.00 C ATOM 1925 O SER A 129 -11.169 10.482 -6.211 1.00 25.00 O ATOM 1926 CB SER A 129 -13.601 12.444 -6.600 1.00 25.00 C ATOM 1927 OG SER A 129 -14.612 12.017 -5.725 1.00 25.00 O ATOM 0 H SER A 129 -15.061 11.326 -7.988 1.00 25.00 H new ATOM 0 HA SER A 129 -12.291 11.533 -8.221 1.00 25.00 H new ATOM 0 HB2 SER A 129 -12.791 12.892 -6.025 1.00 25.00 H new ATOM 0 HB3 SER A 129 -13.994 13.221 -7.255 1.00 25.00 H new ATOM 0 HG SER A 129 -14.230 11.414 -5.054 1.00 25.00 H new ATOM 1933 N ARG A 130 -12.916 9.150 -6.234 1.00 25.00 N ATOM 1934 CA ARG A 130 -12.100 8.048 -5.573 1.00 25.00 C ATOM 1935 C ARG A 130 -10.940 7.582 -6.415 1.00 25.00 C ATOM 1936 O ARG A 130 -10.119 6.827 -5.894 1.00 25.00 O ATOM 1937 CB ARG A 130 -13.027 6.865 -5.196 1.00 25.00 C ATOM 1938 CG ARG A 130 -13.601 6.091 -6.333 1.00 25.00 C ATOM 1939 CD ARG A 130 -14.478 4.971 -5.867 1.00 25.00 C ATOM 1940 NE ARG A 130 -14.828 4.078 -7.010 1.00 25.00 N ATOM 1941 CZ ARG A 130 -15.583 2.996 -6.983 1.00 25.00 C ATOM 1942 NH1 ARG A 130 -15.730 2.308 -8.086 1.00 25.00 N1+ ATOM 1943 NH2 ARG A 130 -16.148 2.533 -5.867 1.00 25.00 N ATOM 0 H ARG A 130 -13.897 8.924 -6.397 1.00 25.00 H new ATOM 0 HA ARG A 130 -11.660 8.469 -4.669 1.00 25.00 H new ATOM 0 HB2 ARG A 130 -12.466 6.178 -4.563 1.00 25.00 H new ATOM 0 HB3 ARG A 130 -13.850 7.252 -4.595 1.00 25.00 H new ATOM 0 HG2 ARG A 130 -14.177 6.760 -6.972 1.00 25.00 H new ATOM 0 HG3 ARG A 130 -12.792 5.688 -6.942 1.00 25.00 H new ATOM 0 HD2 ARG A 130 -13.968 4.399 -5.092 1.00 25.00 H new ATOM 0 HD3 ARG A 130 -15.387 5.374 -5.420 1.00 25.00 H new ATOM 0 HE ARG A 130 -14.439 4.333 -7.917 1.00 25.00 H new ATOM 0 HH11 ARG A 130 -15.266 2.612 -8.942 1.00 25.00 H new ATOM 0 HH12 ARG A 130 -16.309 1.468 -8.090 1.00 25.00 H new ATOM 0 HH21 ARG A 130 -16.004 3.020 -4.983 1.00 25.00 H new ATOM 0 HH22 ARG A 130 -16.724 1.692 -5.898 1.00 25.00 H new ATOM 1957 N ASN A 131 -10.887 7.873 -7.704 1.00 25.00 N ATOM 1958 CA ASN A 131 -9.876 7.389 -8.568 1.00 25.00 C ATOM 1959 C ASN A 131 -8.642 8.106 -8.133 1.00 25.00 C ATOM 1960 O ASN A 131 -8.632 9.331 -7.884 1.00 25.00 O ATOM 1961 CB ASN A 131 -10.195 7.650 -10.003 1.00 25.00 C ATOM 1962 CG ASN A 131 -11.399 6.861 -10.470 1.00 25.00 C ATOM 1963 OD1 ASN A 131 -11.870 5.962 -9.795 1.00 25.00 O ATOM 1964 ND2 ASN A 131 -11.885 7.201 -11.627 1.00 25.00 N ATOM 0 H ASN A 131 -11.572 8.468 -8.169 1.00 25.00 H new ATOM 0 HA ASN A 131 -9.766 6.306 -8.504 1.00 25.00 H new ATOM 0 HB2 ASN A 131 -10.382 8.714 -10.145 1.00 25.00 H new ATOM 0 HB3 ASN A 131 -9.333 7.393 -10.618 1.00 25.00 H new ATOM 0 HD21 ASN A 131 -12.694 6.708 -12.005 1.00 25.00 H new ATOM 0 HD22 ASN A 131 -11.457 7.961 -12.157 1.00 25.00 H new ATOM 1971 N LEU A 132 -7.511 7.375 -8.025 1.00 25.00 N ATOM 1972 CA LEU A 132 -6.354 7.914 -7.314 1.00 25.00 C ATOM 1973 C LEU A 132 -5.718 9.080 -8.090 1.00 25.00 C ATOM 1974 O LEU A 132 -5.143 9.995 -7.543 1.00 25.00 O ATOM 1975 CB LEU A 132 -5.405 6.739 -7.066 1.00 25.00 C ATOM 1976 CG LEU A 132 -4.460 6.920 -5.853 1.00 25.00 C ATOM 1977 CD1 LEU A 132 -5.247 7.213 -4.497 1.00 75.00 C ATOM 1978 CD2 LEU A 132 -3.520 5.739 -5.657 1.00 75.00 C ATOM 0 H LEU A 132 -7.385 6.440 -8.411 1.00 25.00 H new ATOM 0 HA LEU A 132 -6.633 8.352 -6.356 1.00 25.00 H new ATOM 0 HB2 LEU A 132 -5.997 5.836 -6.917 1.00 25.00 H new ATOM 0 HB3 LEU A 132 -4.802 6.581 -7.960 1.00 25.00 H new ATOM 0 HG LEU A 132 -3.859 7.797 -6.095 1.00 25.00 H new ATOM 0 HD11 LEU A 132 -4.534 7.331 -3.681 1.00 75.00 H new ATOM 0 HD12 LEU A 132 -5.830 8.128 -4.605 1.00 75.00 H new ATOM 0 HD13 LEU A 132 -5.916 6.381 -4.277 1.00 75.00 H new ATOM 0 HD21 LEU A 132 -2.882 5.922 -4.793 1.00 75.00 H new ATOM 0 HD22 LEU A 132 -4.103 4.833 -5.492 1.00 75.00 H new ATOM 0 HD23 LEU A 132 -2.901 5.615 -6.546 1.00 75.00 H new ATOM 1990 N SER A 133 -5.952 9.046 -9.396 1.00 25.00 N ATOM 1991 CA SER A 133 -5.498 10.112 -10.239 1.00 25.00 C ATOM 1992 C SER A 133 -6.534 11.264 -10.258 1.00 25.00 C ATOM 1993 O SER A 133 -7.730 11.034 -10.393 1.00 25.00 O ATOM 1994 CB SER A 133 -5.265 9.668 -11.699 1.00 25.00 C ATOM 1995 OG SER A 133 -4.641 10.741 -12.391 1.00 25.00 O ATOM 0 H SER A 133 -6.448 8.296 -9.877 1.00 25.00 H new ATOM 0 HA SER A 133 -4.548 10.440 -9.818 1.00 25.00 H new ATOM 0 HB2 SER A 133 -4.637 8.778 -11.731 1.00 25.00 H new ATOM 0 HB3 SER A 133 -6.211 9.408 -12.174 1.00 25.00 H new ATOM 0 HG SER A 133 -4.481 10.481 -13.322 1.00 25.00 H new ATOM 2001 N HIS A 134 -6.046 12.517 -10.161 1.00 25.00 N ATOM 2002 CA HIS A 134 -6.893 13.711 -10.358 1.00 25.00 C ATOM 2003 C HIS A 134 -6.158 14.537 -11.373 1.00 25.00 C ATOM 2004 O HIS A 134 -4.913 14.565 -11.459 1.00 25.00 O ATOM 2005 CB HIS A 134 -7.161 14.476 -9.061 1.00 25.00 C ATOM 2006 CG HIS A 134 -8.075 13.831 -8.081 1.00 25.00 C ATOM 2007 ND1 HIS A 134 -9.218 14.388 -7.521 1.00 25.00 N ATOM 2008 CD2 HIS A 134 -8.039 12.565 -7.640 1.00 25.00 C ATOM 2009 CE1 HIS A 134 -9.909 13.451 -6.842 1.00 25.00 C ATOM 2010 NE2 HIS A 134 -9.200 12.356 -6.912 1.00 25.00 N ATOM 0 H HIS A 134 -5.071 12.728 -9.948 1.00 25.00 H new ATOM 0 HA HIS A 134 -7.891 13.439 -10.701 1.00 25.00 H new ATOM 0 HB2 HIS A 134 -6.205 14.655 -8.568 1.00 25.00 H new ATOM 0 HB3 HIS A 134 -7.574 15.451 -9.320 1.00 25.00 H new ATOM 0 HD2 HIS A 134 -7.254 11.845 -7.818 1.00 25.00 H new ATOM 0 HE1 HIS A 134 -10.857 13.579 -6.341 1.00 25.00 H new ATOM 0 HE2 HIS A 134 -9.465 11.467 -6.488 1.00 25.00 H new ATOM 2018 N HIS A 135 -6.915 15.377 -12.052 1.00 25.00 N ATOM 2019 CA HIS A 135 -6.422 16.490 -12.893 1.00 25.00 C ATOM 2020 C HIS A 135 -6.771 17.786 -12.117 1.00 25.00 C ATOM 2021 O HIS A 135 -7.958 17.925 -11.841 1.00 25.00 O ATOM 2022 CB HIS A 135 -7.128 16.530 -14.254 1.00 25.00 C ATOM 2023 CG HIS A 135 -6.831 15.381 -15.115 1.00 25.00 C ATOM 2024 ND1 HIS A 135 -6.141 15.535 -16.267 1.00 25.00 N ATOM 2025 CD2 HIS A 135 -7.109 14.023 -15.043 1.00 25.00 C ATOM 2026 CE1 HIS A 135 -6.039 14.352 -16.881 1.00 25.00 C ATOM 2027 NE2 HIS A 135 -6.747 13.452 -16.211 1.00 25.00 N ATOM 0 H HIS A 135 -7.933 15.314 -12.043 1.00 25.00 H new ATOM 0 HA HIS A 135 -5.355 16.375 -13.083 1.00 25.00 H new ATOM 0 HB2 HIS A 135 -8.205 16.580 -14.092 1.00 25.00 H new ATOM 0 HB3 HIS A 135 -6.841 17.444 -14.774 1.00 25.00 H new ATOM 0 HD2 HIS A 135 -7.541 13.511 -14.196 1.00 25.00 H new ATOM 0 HE1 HIS A 135 -5.471 14.160 -17.779 1.00 25.00 H new ATOM 0 HE2 HIS A 135 -6.975 12.507 -16.520 1.00 25.00 H new ATOM 2035 N ILE A 136 -5.795 18.610 -11.734 1.00 25.00 N ATOM 2036 CA ILE A 136 -5.985 19.880 -10.989 1.00 25.00 C ATOM 2037 C ILE A 136 -5.505 21.026 -11.765 1.00 25.00 C ATOM 2038 O ILE A 136 -4.343 21.034 -12.118 1.00 25.00 O ATOM 2039 CB ILE A 136 -5.268 19.869 -9.585 1.00 25.00 C ATOM 2040 CG1 ILE A 136 -5.666 18.641 -8.745 1.00 25.00 C ATOM 2041 CG2 ILE A 136 -5.625 21.186 -8.776 1.00 25.00 C ATOM 2042 CD1 ILE A 136 -7.125 18.433 -8.359 1.00 25.00 C ATOM 0 H ILE A 136 -4.814 18.416 -11.935 1.00 25.00 H new ATOM 0 HA ILE A 136 -7.058 19.974 -10.823 1.00 25.00 H new ATOM 0 HB ILE A 136 -4.195 19.823 -9.773 1.00 25.00 H new ATOM 0 HG12 ILE A 136 -5.344 17.754 -9.291 1.00 25.00 H new ATOM 0 HG13 ILE A 136 -5.086 18.675 -7.822 1.00 25.00 H new ATOM 0 HG21 ILE A 136 -5.124 21.166 -7.808 1.00 25.00 H new ATOM 0 HG22 ILE A 136 -5.294 22.059 -9.338 1.00 25.00 H new ATOM 0 HG23 ILE A 136 -6.703 21.239 -8.625 1.00 25.00 H new ATOM 0 HD11 ILE A 136 -7.219 17.521 -7.770 1.00 25.00 H new ATOM 0 HD12 ILE A 136 -7.470 19.282 -7.770 1.00 25.00 H new ATOM 0 HD13 ILE A 136 -7.731 18.347 -9.261 1.00 25.00 H new ATOM 2054 N TYR A 137 -6.347 21.978 -12.099 1.00 25.00 N ATOM 2055 CA TYR A 137 -5.855 23.103 -12.877 1.00 25.00 C ATOM 2056 C TYR A 137 -5.128 23.957 -11.902 1.00 25.00 C ATOM 2057 O TYR A 137 -5.600 24.188 -10.747 1.00 25.00 O ATOM 2058 CB TYR A 137 -7.043 23.882 -13.488 1.00 25.00 C ATOM 2059 CG TYR A 137 -6.590 25.088 -14.297 1.00 25.00 C ATOM 2060 CD1 TYR A 137 -6.427 26.364 -13.647 1.00 50.00 C ATOM 2061 CD2 TYR A 137 -6.291 25.023 -15.709 1.00 50.00 C ATOM 2062 CE1 TYR A 137 -5.892 27.502 -14.372 1.00 25.00 C ATOM 2063 CE2 TYR A 137 -5.715 26.086 -16.340 1.00 25.00 C ATOM 2064 CZ TYR A 137 -5.488 27.319 -15.658 1.00 25.00 C ATOM 2065 OH TYR A 137 -4.872 28.332 -16.317 1.00 25.00 O ATOM 0 H TYR A 137 -7.338 22.003 -11.858 1.00 25.00 H new ATOM 0 HA TYR A 137 -5.216 22.788 -13.702 1.00 25.00 H new ATOM 0 HB2 TYR A 137 -7.621 23.215 -14.128 1.00 25.00 H new ATOM 0 HB3 TYR A 137 -7.707 24.212 -12.689 1.00 25.00 H new ATOM 0 HD1 TYR A 137 -6.706 26.475 -12.610 1.00 50.00 H new ATOM 0 HD2 TYR A 137 -6.525 24.129 -16.267 1.00 50.00 H new ATOM 0 HE1 TYR A 137 -5.816 28.471 -13.902 1.00 25.00 H new ATOM 0 HE2 TYR A 137 -5.425 25.993 -17.376 1.00 25.00 H new ATOM 0 HH TYR A 137 -4.645 28.041 -17.225 1.00 25.00 H new ATOM 2075 N ILE A 138 -3.907 24.395 -12.315 1.00 25.00 N ATOM 2076 CA ILE A 138 -3.190 25.355 -11.513 1.00 25.00 C ATOM 2077 C ILE A 138 -2.639 26.427 -12.434 1.00 25.00 C ATOM 2078 O ILE A 138 -1.853 26.186 -13.337 1.00 25.00 O ATOM 2079 CB ILE A 138 -1.961 24.783 -10.752 1.00 25.00 C ATOM 2080 CG1 ILE A 138 -2.360 23.564 -9.841 1.00 25.00 C ATOM 2081 CG2 ILE A 138 -1.236 25.913 -9.855 1.00 25.00 C ATOM 2082 CD1 ILE A 138 -1.240 22.816 -9.044 1.00 25.00 C ATOM 0 H ILE A 138 -3.435 24.097 -13.169 1.00 25.00 H new ATOM 0 HA ILE A 138 -3.908 25.713 -10.776 1.00 25.00 H new ATOM 0 HB ILE A 138 -1.260 24.438 -11.512 1.00 25.00 H new ATOM 0 HG12 ILE A 138 -3.096 23.919 -9.120 1.00 25.00 H new ATOM 0 HG13 ILE A 138 -2.860 22.830 -10.473 1.00 25.00 H new ATOM 0 HG21 ILE A 138 -0.382 25.475 -9.339 1.00 25.00 H new ATOM 0 HG22 ILE A 138 -0.894 26.724 -10.498 1.00 25.00 H new ATOM 0 HG23 ILE A 138 -1.942 26.304 -9.122 1.00 25.00 H new ATOM 0 HD11 ILE A 138 -1.684 22.004 -8.468 1.00 25.00 H new ATOM 0 HD12 ILE A 138 -0.508 22.409 -9.741 1.00 25.00 H new ATOM 0 HD13 ILE A 138 -0.747 23.514 -8.367 1.00 25.00 H new ATOM 2094 N PRO A 139 -3.065 27.696 -12.204 1.00 25.00 N ATOM 2095 CA PRO A 139 -2.441 28.746 -12.988 1.00 25.00 C ATOM 2096 C PRO A 139 -1.128 29.214 -12.391 1.00 25.00 C ATOM 2097 O PRO A 139 -0.907 29.034 -11.202 1.00 25.00 O ATOM 2098 CB PRO A 139 -3.423 29.950 -12.836 1.00 25.00 C ATOM 2099 CG PRO A 139 -3.966 29.850 -11.486 1.00 25.00 C ATOM 2100 CD PRO A 139 -4.045 28.320 -11.283 1.00 25.00 C ATOM 0 HA PRO A 139 -2.251 28.395 -14.002 1.00 25.00 H new ATOM 0 HB2 PRO A 139 -2.905 30.898 -12.980 1.00 25.00 H new ATOM 0 HB3 PRO A 139 -4.217 29.904 -13.581 1.00 25.00 H new ATOM 0 HG2 PRO A 139 -3.319 30.326 -10.750 1.00 25.00 H new ATOM 0 HG3 PRO A 139 -4.944 30.323 -11.404 1.00 25.00 H new ATOM 0 HD2 PRO A 139 -3.820 28.058 -10.249 1.00 25.00 H new ATOM 0 HD3 PRO A 139 -5.052 27.957 -11.491 1.00 25.00 H new ATOM 2108 N GLU A 140 -0.288 29.839 -13.240 1.00 25.00 N ATOM 2109 CA GLU A 140 1.014 30.324 -12.825 1.00 25.00 C ATOM 2110 C GLU A 140 1.581 31.501 -13.633 1.00 25.00 C ATOM 2111 O GLU A 140 1.938 31.399 -14.780 1.00 25.00 O ATOM 2112 CB GLU A 140 2.006 29.167 -12.842 1.00 25.00 C ATOM 2113 CG GLU A 140 3.248 29.543 -12.006 1.00 25.00 C ATOM 2114 CD GLU A 140 2.993 29.909 -10.602 1.00 25.00 C ATOM 2115 OE1 GLU A 140 3.231 31.054 -10.236 1.00 25.00 O ATOM 2116 OE2 GLU A 140 2.493 29.068 -9.801 1.00 25.00 O1- ATOM 0 H GLU A 140 -0.504 30.014 -14.221 1.00 25.00 H new ATOM 0 HA GLU A 140 0.865 30.723 -11.822 1.00 25.00 H new ATOM 0 HB2 GLU A 140 1.540 28.268 -12.437 1.00 25.00 H new ATOM 0 HB3 GLU A 140 2.299 28.940 -13.867 1.00 25.00 H new ATOM 0 HG2 GLU A 140 3.941 28.701 -12.022 1.00 25.00 H new ATOM 0 HG3 GLU A 140 3.750 30.379 -12.493 1.00 25.00 H new ATOM 2123 N ASP A 141 1.733 32.611 -12.925 1.00 25.00 N ATOM 2124 CA ASP A 141 2.373 33.839 -13.478 1.00 25.00 C ATOM 2125 C ASP A 141 3.814 34.125 -12.956 1.00 25.00 C ATOM 2126 O ASP A 141 4.440 35.117 -13.295 1.00 25.00 O ATOM 2127 CB ASP A 141 1.531 35.013 -13.152 1.00 25.00 C ATOM 2128 CG ASP A 141 1.556 35.313 -11.670 1.00 25.00 C ATOM 2129 OD1 ASP A 141 1.041 34.457 -10.847 1.00 50.00 O ATOM 2130 OD2 ASP A 141 1.900 36.494 -11.300 1.00 50.00 O1- ATOM 0 H ASP A 141 1.426 32.706 -11.957 1.00 25.00 H new ATOM 0 HA ASP A 141 2.458 33.662 -14.550 1.00 25.00 H new ATOM 0 HB2 ASP A 141 1.884 35.882 -13.707 1.00 25.00 H new ATOM 0 HB3 ASP A 141 0.505 34.827 -13.470 1.00 25.00 H new ATOM 2135 N ARG A 142 4.351 33.361 -12.035 1.00 25.00 N ATOM 2136 CA ARG A 142 5.619 33.598 -11.339 1.00 25.00 C ATOM 2137 C ARG A 142 6.591 32.488 -11.624 1.00 25.00 C ATOM 2138 O ARG A 142 6.117 31.472 -12.109 1.00 25.00 O ATOM 2139 CB ARG A 142 5.394 33.640 -9.808 1.00 25.00 C ATOM 2140 CG ARG A 142 4.498 34.742 -9.275 1.00 25.00 C ATOM 2141 CD ARG A 142 4.253 34.421 -7.812 1.00 25.00 C ATOM 2142 NE ARG A 142 3.461 35.468 -7.139 1.00 25.00 N ATOM 2143 CZ ARG A 142 3.233 35.556 -5.836 1.00 25.00 C ATOM 2144 NH1 ARG A 142 2.555 36.598 -5.403 1.00 25.00 N1+ ATOM 2145 NH2 ARG A 142 3.593 34.660 -4.934 1.00 25.00 N ATOM 0 H ARG A 142 3.897 32.502 -11.724 1.00 25.00 H new ATOM 0 HA ARG A 142 6.015 34.550 -11.693 1.00 25.00 H new ATOM 0 HB2 ARG A 142 4.973 32.683 -9.501 1.00 25.00 H new ATOM 0 HB3 ARG A 142 6.367 33.730 -9.325 1.00 25.00 H new ATOM 0 HG2 ARG A 142 4.973 35.717 -9.385 1.00 25.00 H new ATOM 0 HG3 ARG A 142 3.559 34.781 -9.827 1.00 25.00 H new ATOM 0 HD2 ARG A 142 3.733 33.466 -7.733 1.00 25.00 H new ATOM 0 HD3 ARG A 142 5.209 34.306 -7.302 1.00 25.00 H new ATOM 0 HE ARG A 142 3.051 36.191 -7.731 1.00 25.00 H new ATOM 0 HH11 ARG A 142 2.225 37.302 -6.063 1.00 25.00 H new ATOM 0 HH12 ARG A 142 2.359 36.701 -4.407 1.00 25.00 H new ATOM 0 HH21 ARG A 142 4.089 33.817 -5.222 1.00 25.00 H new ATOM 0 HH22 ARG A 142 3.375 34.812 -3.949 1.00 25.00 H new ATOM 2159 N LEU A 143 7.833 32.650 -11.318 1.00 25.00 N ATOM 2160 CA LEU A 143 8.786 31.548 -11.551 1.00 25.00 C ATOM 2161 C LEU A 143 9.291 31.171 -10.107 1.00 25.00 C ATOM 2162 O LEU A 143 9.504 32.079 -9.294 1.00 25.00 O ATOM 2163 CB LEU A 143 9.921 32.118 -12.428 1.00 25.00 C ATOM 2164 CG LEU A 143 9.642 32.393 -13.928 1.00 25.00 C ATOM 2165 CD1 LEU A 143 8.748 33.554 -14.212 1.00 50.00 C ATOM 2166 CD2 LEU A 143 10.984 32.524 -14.581 1.00 50.00 C ATOM 0 H LEU A 143 8.232 33.498 -10.916 1.00 25.00 H new ATOM 0 HA LEU A 143 8.377 30.673 -12.056 1.00 25.00 H new ATOM 0 HB2 LEU A 143 10.248 33.055 -11.976 1.00 25.00 H new ATOM 0 HB3 LEU A 143 10.761 31.426 -12.370 1.00 25.00 H new ATOM 0 HG LEU A 143 9.067 31.563 -14.340 1.00 25.00 H new ATOM 0 HD11 LEU A 143 8.618 33.658 -15.289 1.00 50.00 H new ATOM 0 HD12 LEU A 143 7.778 33.389 -13.744 1.00 50.00 H new ATOM 0 HD13 LEU A 143 9.194 34.464 -13.810 1.00 50.00 H new ATOM 0 HD21 LEU A 143 10.853 32.720 -15.645 1.00 50.00 H new ATOM 0 HD22 LEU A 143 11.532 33.349 -14.125 1.00 50.00 H new ATOM 0 HD23 LEU A 143 11.545 31.599 -14.448 1.00 50.00 H new ATOM 2178 N GLY A 144 9.383 29.900 -9.819 1.00 25.00 N ATOM 2179 CA GLY A 144 9.994 29.422 -8.587 1.00 25.00 C ATOM 2180 C GLY A 144 9.619 28.072 -8.038 1.00 25.00 C ATOM 2181 O GLY A 144 8.684 27.450 -8.502 1.00 25.00 O ATOM 0 H GLY A 144 9.038 29.157 -10.427 1.00 25.00 H new ATOM 0 HA2 GLY A 144 11.073 29.422 -8.739 1.00 25.00 H new ATOM 0 HA3 GLY A 144 9.781 30.158 -7.812 1.00 25.00 H new ATOM 2185 N TYR A 145 10.321 27.664 -6.967 1.00 25.00 N ATOM 2186 CA TYR A 145 10.203 26.353 -6.317 1.00 25.00 C ATOM 2187 C TYR A 145 9.100 26.441 -5.253 1.00 25.00 C ATOM 2188 O TYR A 145 8.934 27.448 -4.575 1.00 25.00 O ATOM 2189 CB TYR A 145 11.562 25.995 -5.701 1.00 25.00 C ATOM 2190 CG TYR A 145 11.555 25.332 -4.377 1.00 25.00 C ATOM 2191 CD1 TYR A 145 11.563 26.095 -3.184 1.00 50.00 C ATOM 2192 CD2 TYR A 145 11.548 23.926 -4.262 1.00 50.00 C ATOM 2193 CE1 TYR A 145 11.495 25.508 -1.891 1.00 25.00 C ATOM 2194 CE2 TYR A 145 11.560 23.353 -3.000 1.00 25.00 C ATOM 2195 CZ TYR A 145 11.557 24.151 -1.815 1.00 25.00 C ATOM 2196 OH TYR A 145 11.536 23.685 -0.533 1.00 25.00 O ATOM 0 H TYR A 145 11.012 28.263 -6.515 1.00 25.00 H new ATOM 0 HA TYR A 145 9.933 25.572 -7.027 1.00 25.00 H new ATOM 0 HB2 TYR A 145 12.089 25.346 -6.400 1.00 25.00 H new ATOM 0 HB3 TYR A 145 12.146 26.912 -5.616 1.00 25.00 H new ATOM 0 HD1 TYR A 145 11.623 27.171 -3.260 1.00 50.00 H new ATOM 0 HD2 TYR A 145 11.533 23.305 -5.145 1.00 50.00 H new ATOM 0 HE1 TYR A 145 11.398 26.116 -1.003 1.00 25.00 H new ATOM 0 HE2 TYR A 145 11.572 22.277 -2.910 1.00 25.00 H new ATOM 0 HH TYR A 145 11.026 24.303 0.031 1.00 25.00 H new ATOM 2206 N HIS A 146 8.351 25.356 -5.150 1.00 25.00 N ATOM 2207 CA HIS A 146 7.246 25.187 -4.234 1.00 25.00 C ATOM 2208 C HIS A 146 7.278 23.671 -3.850 1.00 25.00 C ATOM 2209 O HIS A 146 7.921 22.940 -4.587 1.00 25.00 O ATOM 2210 CB HIS A 146 5.901 25.595 -4.929 1.00 25.00 C ATOM 2211 CG HIS A 146 5.934 26.981 -5.580 1.00 25.00 C ATOM 2212 ND1 HIS A 146 5.865 27.324 -6.892 1.00 25.00 N flip ATOM 2213 CD2 HIS A 146 6.036 28.157 -4.900 1.00 25.00 C flip ATOM 2214 CE1 HIS A 146 5.860 28.702 -6.936 1.00 25.00 C flip ATOM 2215 NE2 HIS A 146 5.931 29.170 -5.718 1.00 25.00 N flip ATOM 0 H HIS A 146 8.508 24.533 -5.732 1.00 25.00 H new ATOM 0 HA HIS A 146 7.323 25.818 -3.348 1.00 25.00 H new ATOM 0 HB2 HIS A 146 5.657 24.853 -5.689 1.00 25.00 H new ATOM 0 HB3 HIS A 146 5.100 25.570 -4.190 1.00 25.00 H new ATOM 0 HD2 HIS A 146 6.183 28.240 -3.833 1.00 25.00 H new ATOM 0 HE1 HIS A 146 5.806 29.299 -7.834 1.00 25.00 H new ATOM 0 HE2 HIS A 146 5.908 30.155 -5.452 1.00 25.00 H new ATOM 2223 N VAL A 147 6.644 23.155 -2.779 1.00 25.00 N ATOM 2224 CA VAL A 147 6.619 21.731 -2.408 1.00 25.00 C ATOM 2225 C VAL A 147 5.225 21.215 -2.193 1.00 25.00 C ATOM 2226 O VAL A 147 4.420 21.959 -1.613 1.00 25.00 O ATOM 2227 CB VAL A 147 7.558 21.439 -1.149 1.00 25.00 C ATOM 2228 CG1 VAL A 147 7.471 19.954 -0.702 1.00 50.00 C ATOM 2229 CG2 VAL A 147 8.965 21.809 -1.446 1.00 50.00 C ATOM 0 H VAL A 147 6.119 23.739 -2.128 1.00 25.00 H new ATOM 0 HA VAL A 147 7.023 21.180 -3.257 1.00 25.00 H new ATOM 0 HB VAL A 147 7.200 22.056 -0.325 1.00 25.00 H new ATOM 0 HG11 VAL A 147 8.123 19.794 0.157 1.00 50.00 H new ATOM 0 HG12 VAL A 147 6.443 19.717 -0.427 1.00 50.00 H new ATOM 0 HG13 VAL A 147 7.785 19.308 -1.522 1.00 50.00 H new ATOM 0 HG21 VAL A 147 9.587 21.602 -0.575 1.00 50.00 H new ATOM 0 HG22 VAL A 147 9.323 21.226 -2.295 1.00 50.00 H new ATOM 0 HG23 VAL A 147 9.019 22.871 -1.686 1.00 50.00 H new ATOM 2239 N ILE A 148 4.841 20.020 -2.674 1.00 25.00 N ATOM 2240 CA ILE A 148 3.484 19.471 -2.488 1.00 25.00 C ATOM 2241 C ILE A 148 3.622 18.405 -1.405 1.00 25.00 C ATOM 2242 O ILE A 148 4.275 17.437 -1.672 1.00 25.00 O ATOM 2243 CB ILE A 148 2.919 18.768 -3.734 1.00 25.00 C ATOM 2244 CG1 ILE A 148 2.859 19.746 -4.919 1.00 25.00 C ATOM 2245 CG2 ILE A 148 1.567 18.009 -3.440 1.00 25.00 C ATOM 2246 CD1 ILE A 148 2.605 19.155 -6.377 1.00 25.00 C ATOM 0 H ILE A 148 5.461 19.407 -3.203 1.00 25.00 H new ATOM 0 HA ILE A 148 2.809 20.294 -2.250 1.00 25.00 H new ATOM 0 HB ILE A 148 3.605 17.973 -4.027 1.00 25.00 H new ATOM 0 HG12 ILE A 148 2.071 20.470 -4.712 1.00 25.00 H new ATOM 0 HG13 ILE A 148 3.799 20.297 -4.943 1.00 25.00 H new ATOM 0 HG21 ILE A 148 1.212 17.531 -4.353 1.00 25.00 H new ATOM 0 HG22 ILE A 148 1.734 17.251 -2.675 1.00 25.00 H new ATOM 0 HG23 ILE A 148 0.819 18.720 -3.089 1.00 25.00 H new ATOM 0 HD11 ILE A 148 2.590 19.969 -7.102 1.00 25.00 H new ATOM 0 HD12 ILE A 148 3.403 18.458 -6.631 1.00 25.00 H new ATOM 0 HD13 ILE A 148 1.648 18.634 -6.397 1.00 25.00 H new ATOM 2258 N LEU A 149 2.961 18.519 -0.250 1.00 25.00 N ATOM 2259 CA LEU A 149 2.881 17.451 0.738 1.00 25.00 C ATOM 2260 C LEU A 149 1.530 16.687 0.549 1.00 25.00 C ATOM 2261 O LEU A 149 0.401 17.230 0.566 1.00 25.00 O ATOM 2262 CB LEU A 149 2.974 18.115 2.165 1.00 25.00 C ATOM 2263 CG LEU A 149 3.593 17.289 3.307 1.00 25.00 C ATOM 2264 CD1 LEU A 149 4.115 18.219 4.269 1.00 50.00 C ATOM 2265 CD2 LEU A 149 2.577 16.307 3.948 1.00 50.00 C ATOM 0 H LEU A 149 2.463 19.366 0.024 1.00 25.00 H new ATOM 0 HA LEU A 149 3.692 16.732 0.623 1.00 25.00 H new ATOM 0 HB2 LEU A 149 3.550 19.035 2.068 1.00 25.00 H new ATOM 0 HB3 LEU A 149 1.966 18.400 2.467 1.00 25.00 H new ATOM 0 HG LEU A 149 4.389 16.656 2.915 1.00 25.00 H new ATOM 0 HD11 LEU A 149 4.564 17.672 5.098 1.00 50.00 H new ATOM 0 HD12 LEU A 149 4.871 18.846 3.796 1.00 50.00 H new ATOM 0 HD13 LEU A 149 3.307 18.846 4.644 1.00 50.00 H new ATOM 0 HD21 LEU A 149 3.065 15.749 4.748 1.00 50.00 H new ATOM 0 HD22 LEU A 149 1.737 16.868 4.357 1.00 50.00 H new ATOM 0 HD23 LEU A 149 2.214 15.612 3.190 1.00 50.00 H new ATOM 2277 N ALA A 150 1.633 15.365 0.492 1.00 25.00 N ATOM 2278 CA ALA A 150 0.520 14.461 0.312 1.00 25.00 C ATOM 2279 C ALA A 150 0.282 13.683 1.590 1.00 25.00 C ATOM 2280 O ALA A 150 1.229 13.094 2.146 1.00 25.00 O ATOM 2281 CB ALA A 150 0.795 13.485 -0.919 1.00 25.00 C ATOM 0 H ALA A 150 2.528 14.883 0.573 1.00 25.00 H new ATOM 0 HA ALA A 150 -0.380 15.034 0.087 1.00 25.00 H new ATOM 0 HB1 ALA A 150 -0.051 12.809 -1.044 1.00 25.00 H new ATOM 0 HB2 ALA A 150 0.927 14.073 -1.827 1.00 25.00 H new ATOM 0 HB3 ALA A 150 1.698 12.905 -0.729 1.00 25.00 H new ATOM 2287 N VAL A 151 -0.957 13.735 2.022 1.00 25.00 N ATOM 2288 CA VAL A 151 -1.382 13.061 3.264 1.00 25.00 C ATOM 2289 C VAL A 151 -2.446 12.031 3.081 1.00 25.00 C ATOM 2290 O VAL A 151 -3.432 12.279 2.375 1.00 25.00 O ATOM 2291 CB VAL A 151 -1.809 14.076 4.312 1.00 25.00 C ATOM 2292 CG1 VAL A 151 -2.296 13.403 5.608 1.00 50.00 C ATOM 2293 CG2 VAL A 151 -0.687 15.151 4.570 1.00 50.00 C ATOM 0 H VAL A 151 -1.704 14.236 1.541 1.00 25.00 H new ATOM 0 HA VAL A 151 -0.501 12.519 3.607 1.00 25.00 H new ATOM 0 HB VAL A 151 -2.669 14.612 3.910 1.00 25.00 H new ATOM 0 HG11 VAL A 151 -2.590 14.168 6.327 1.00 50.00 H new ATOM 0 HG12 VAL A 151 -3.151 12.764 5.387 1.00 50.00 H new ATOM 0 HG13 VAL A 151 -1.492 12.800 6.029 1.00 50.00 H new ATOM 0 HG21 VAL A 151 -1.028 15.859 5.325 1.00 50.00 H new ATOM 0 HG22 VAL A 151 0.218 14.655 4.921 1.00 50.00 H new ATOM 0 HG23 VAL A 151 -0.473 15.683 3.643 1.00 50.00 H new ATOM 2303 N TRP A 152 -2.290 10.837 3.665 1.00 25.00 N ATOM 2304 CA TRP A 152 -3.218 9.727 3.581 1.00 25.00 C ATOM 2305 C TRP A 152 -3.662 9.340 4.974 1.00 25.00 C ATOM 2306 O TRP A 152 -2.812 8.935 5.777 1.00 25.00 O ATOM 2307 CB TRP A 152 -2.506 8.580 2.811 1.00 25.00 C ATOM 2308 CG TRP A 152 -3.144 8.455 1.491 1.00 25.00 C ATOM 2309 CD1 TRP A 152 -4.213 7.706 1.204 1.00 25.00 C ATOM 2310 CD2 TRP A 152 -2.749 9.049 0.227 1.00 25.00 C ATOM 2311 NE1 TRP A 152 -4.605 7.877 -0.094 1.00 25.00 N ATOM 2312 CE2 TRP A 152 -3.730 8.663 -0.739 1.00 25.00 C ATOM 2313 CE3 TRP A 152 -1.717 9.889 -0.190 1.00 25.00 C ATOM 2314 CZ2 TRP A 152 -3.700 9.118 -2.079 1.00 25.00 C ATOM 2315 CZ3 TRP A 152 -1.607 10.265 -1.538 1.00 25.00 C ATOM 2316 CH2 TRP A 152 -2.629 9.940 -2.482 1.00 25.00 C ATOM 0 H TRP A 152 -1.472 10.619 4.233 1.00 25.00 H new ATOM 0 HA TRP A 152 -4.126 9.984 3.035 1.00 25.00 H new ATOM 0 HB2 TRP A 152 -1.443 8.796 2.702 1.00 25.00 H new ATOM 0 HB3 TRP A 152 -2.585 7.644 3.363 1.00 25.00 H new ATOM 0 HD1 TRP A 152 -4.704 7.050 1.907 1.00 25.00 H new ATOM 0 HE1 TRP A 152 -5.441 7.467 -0.511 1.00 25.00 H new ATOM 0 HE3 TRP A 152 -0.998 10.253 0.529 1.00 25.00 H new ATOM 0 HZ2 TRP A 152 -4.478 8.842 -2.775 1.00 25.00 H new ATOM 0 HZ3 TRP A 152 -0.734 10.810 -1.867 1.00 25.00 H new ATOM 0 HH2 TRP A 152 -2.581 10.320 -3.492 1.00 25.00 H new ATOM 2327 N ASP A 153 -4.934 9.439 5.190 1.00 25.00 N ATOM 2328 CA ASP A 153 -5.487 9.314 6.555 1.00 25.00 C ATOM 2329 C ASP A 153 -5.889 7.844 6.769 1.00 25.00 C ATOM 2330 O ASP A 153 -7.076 7.544 6.685 1.00 25.00 O ATOM 2331 CB ASP A 153 -6.786 10.182 6.794 1.00 25.00 C ATOM 2332 CG ASP A 153 -6.456 11.704 6.810 1.00 25.00 C ATOM 2333 OD1 ASP A 153 -5.347 12.052 6.499 1.00 25.00 O ATOM 2334 OD2 ASP A 153 -7.297 12.516 7.262 1.00 25.00 O1- ATOM 0 H ASP A 153 -5.629 9.605 4.462 1.00 25.00 H new ATOM 0 HA ASP A 153 -4.717 9.663 7.243 1.00 25.00 H new ATOM 0 HB2 ASP A 153 -7.514 9.974 6.010 1.00 25.00 H new ATOM 0 HB3 ASP A 153 -7.247 9.898 7.740 1.00 25.00 H new ATOM 2339 N VAL A 154 -4.898 6.942 6.916 1.00 25.00 N ATOM 2340 CA VAL A 154 -5.282 5.535 7.096 1.00 25.00 C ATOM 2341 C VAL A 154 -5.754 5.275 8.506 1.00 25.00 C ATOM 2342 O VAL A 154 -4.903 5.205 9.430 1.00 25.00 O ATOM 2343 CB VAL A 154 -4.069 4.692 6.664 1.00 25.00 C ATOM 2344 CG1 VAL A 154 -4.420 3.167 6.696 1.00 50.00 C ATOM 2345 CG2 VAL A 154 -3.607 5.060 5.219 1.00 50.00 C ATOM 0 H VAL A 154 -3.898 7.142 6.915 1.00 25.00 H new ATOM 0 HA VAL A 154 -6.138 5.259 6.479 1.00 25.00 H new ATOM 0 HB VAL A 154 -3.263 4.907 7.366 1.00 25.00 H new ATOM 0 HG11 VAL A 154 -3.550 2.587 6.388 1.00 50.00 H new ATOM 0 HG12 VAL A 154 -4.707 2.881 7.708 1.00 50.00 H new ATOM 0 HG13 VAL A 154 -5.248 2.970 6.015 1.00 50.00 H new ATOM 0 HG21 VAL A 154 -2.749 4.447 4.944 1.00 50.00 H new ATOM 0 HG22 VAL A 154 -4.422 4.878 4.519 1.00 50.00 H new ATOM 0 HG23 VAL A 154 -3.327 6.113 5.184 1.00 50.00 H new ATOM 2355 N ALA A 155 -7.069 5.251 8.713 1.00 25.00 N ATOM 2356 CA ALA A 155 -7.663 5.313 10.052 1.00 25.00 C ATOM 2357 C ALA A 155 -7.402 4.119 10.874 1.00 25.00 C ATOM 2358 O ALA A 155 -7.463 4.131 12.130 1.00 25.00 O ATOM 2359 CB ALA A 155 -9.151 5.610 9.887 1.00 25.00 C ATOM 0 H ALA A 155 -7.754 5.188 7.960 1.00 25.00 H new ATOM 0 HA ALA A 155 -7.185 6.114 10.616 1.00 25.00 H new ATOM 0 HB1 ALA A 155 -9.623 5.662 10.868 1.00 25.00 H new ATOM 0 HB2 ALA A 155 -9.277 6.563 9.372 1.00 25.00 H new ATOM 0 HB3 ALA A 155 -9.618 4.817 9.302 1.00 25.00 H new ATOM 2365 N ASP A 156 -6.980 3.050 10.163 1.00 25.00 N ATOM 2366 CA ASP A 156 -6.671 1.750 10.795 1.00 25.00 C ATOM 2367 C ASP A 156 -5.487 1.866 11.866 1.00 25.00 C ATOM 2368 O ASP A 156 -5.488 1.107 12.841 1.00 25.00 O ATOM 2369 CB ASP A 156 -6.237 0.749 9.733 1.00 25.00 C ATOM 2370 CG ASP A 156 -7.362 0.226 8.897 1.00 25.00 C ATOM 2371 OD1 ASP A 156 -8.359 -0.115 9.527 1.00 25.00 O ATOM 2372 OD2 ASP A 156 -7.276 0.036 7.688 1.00 25.00 O1- ATOM 0 H ASP A 156 -6.846 3.063 9.152 1.00 25.00 H new ATOM 0 HA ASP A 156 -7.578 1.422 11.302 1.00 25.00 H new ATOM 0 HB2 ASP A 156 -5.502 1.221 9.081 1.00 25.00 H new ATOM 0 HB3 ASP A 156 -5.739 -0.089 10.220 1.00 25.00 H new ATOM 2377 N THR A 157 -4.566 2.752 11.596 1.00 25.00 N ATOM 2378 CA THR A 157 -3.287 2.788 12.315 1.00 25.00 C ATOM 2379 C THR A 157 -3.072 4.188 12.946 1.00 25.00 C ATOM 2380 O THR A 157 -3.721 5.127 12.503 1.00 25.00 O ATOM 2381 CB THR A 157 -2.119 2.391 11.388 1.00 25.00 C ATOM 2382 OG1 THR A 157 -0.829 2.589 12.010 1.00 25.00 O ATOM 2383 CG2 THR A 157 -2.135 3.142 10.075 1.00 25.00 C ATOM 0 H THR A 157 -4.664 3.471 10.880 1.00 25.00 H new ATOM 0 HA THR A 157 -3.315 2.055 13.122 1.00 25.00 H new ATOM 0 HB THR A 157 -2.268 1.329 11.194 1.00 25.00 H new ATOM 0 HG1 THR A 157 -0.121 2.323 11.387 1.00 25.00 H new ATOM 0 HG21 THR A 157 -1.291 2.823 9.463 1.00 25.00 H new ATOM 0 HG22 THR A 157 -3.066 2.933 9.547 1.00 25.00 H new ATOM 0 HG23 THR A 157 -2.060 4.212 10.267 1.00 25.00 H new ATOM 2391 N GLU A 158 -2.237 4.316 13.954 1.00 25.00 N ATOM 2392 CA GLU A 158 -1.976 5.608 14.575 1.00 25.00 C ATOM 2393 C GLU A 158 -1.088 6.383 13.599 1.00 25.00 C ATOM 2394 O GLU A 158 -1.073 7.635 13.547 1.00 25.00 O ATOM 2395 CB GLU A 158 -1.256 5.343 15.940 1.00 25.00 C ATOM 2396 CG GLU A 158 -1.137 6.636 16.705 1.00 25.00 C ATOM 2397 CD GLU A 158 -0.602 6.414 18.105 1.00 25.00 C ATOM 2398 OE1 GLU A 158 -0.994 7.144 19.030 1.00 25.00 O ATOM 2399 OE2 GLU A 158 0.273 5.535 18.310 1.00 25.00 O1- ATOM 0 H GLU A 158 -1.721 3.539 14.367 1.00 25.00 H new ATOM 0 HA GLU A 158 -2.879 6.184 14.777 1.00 25.00 H new ATOM 0 HB2 GLU A 158 -1.817 4.613 16.524 1.00 25.00 H new ATOM 0 HB3 GLU A 158 -0.267 4.919 15.765 1.00 25.00 H new ATOM 0 HG2 GLU A 158 -0.477 7.317 16.167 1.00 25.00 H new ATOM 0 HG3 GLU A 158 -2.114 7.116 16.761 1.00 25.00 H new ATOM 2406 N ASN A 159 -0.374 5.639 12.746 1.00 25.00 N ATOM 2407 CA ASN A 159 0.393 6.172 11.657 1.00 25.00 C ATOM 2408 C ASN A 159 -0.445 6.883 10.609 1.00 25.00 C ATOM 2409 O ASN A 159 -1.617 6.614 10.509 1.00 25.00 O ATOM 2410 CB ASN A 159 1.184 5.033 10.964 1.00 25.00 C ATOM 2411 CG ASN A 159 2.196 4.334 11.841 1.00 25.00 C ATOM 2412 OD1 ASN A 159 2.772 4.979 12.707 1.00 25.00 O ATOM 2413 ND2 ASN A 159 2.339 3.066 11.740 1.00 25.00 N ATOM 0 H ASN A 159 -0.324 4.622 12.812 1.00 25.00 H new ATOM 0 HA ASN A 159 1.062 6.912 12.096 1.00 25.00 H new ATOM 0 HB2 ASN A 159 0.475 4.293 10.592 1.00 25.00 H new ATOM 0 HB3 ASN A 159 1.700 5.445 10.097 1.00 25.00 H new ATOM 0 HD21 ASN A 159 2.945 2.568 12.391 1.00 25.00 H new ATOM 0 HD22 ASN A 159 1.846 2.554 11.008 1.00 25.00 H new ATOM 2420 N ALA A 160 0.210 7.645 9.760 1.00 25.00 N ATOM 2421 CA ALA A 160 -0.431 8.309 8.635 1.00 25.00 C ATOM 2422 C ALA A 160 0.551 7.890 7.545 1.00 25.00 C ATOM 2423 O ALA A 160 1.480 7.162 7.807 1.00 25.00 O ATOM 2424 CB ALA A 160 -0.507 9.871 8.754 1.00 25.00 C ATOM 0 H ALA A 160 1.212 7.826 9.828 1.00 25.00 H new ATOM 0 HA ALA A 160 -1.479 8.041 8.499 1.00 25.00 H new ATOM 0 HB1 ALA A 160 -1.000 10.280 7.872 1.00 25.00 H new ATOM 0 HB2 ALA A 160 -1.075 10.141 9.644 1.00 25.00 H new ATOM 0 HB3 ALA A 160 0.501 10.280 8.829 1.00 25.00 H new ATOM 2430 N PHE A 161 0.301 8.277 6.324 1.00 25.00 N ATOM 2431 CA PHE A 161 1.302 8.038 5.312 1.00 25.00 C ATOM 2432 C PHE A 161 1.481 9.475 4.729 1.00 25.00 C ATOM 2433 O PHE A 161 0.551 10.207 4.499 1.00 25.00 O ATOM 2434 CB PHE A 161 0.809 7.067 4.233 1.00 25.00 C ATOM 2435 CG PHE A 161 1.083 5.600 4.587 1.00 25.00 C ATOM 2436 CD1 PHE A 161 0.276 4.943 5.521 1.00 50.00 C ATOM 2437 CD2 PHE A 161 2.096 4.874 3.928 1.00 50.00 C ATOM 2438 CE1 PHE A 161 0.460 3.504 5.803 1.00 25.00 C ATOM 2439 CE2 PHE A 161 2.330 3.556 4.180 1.00 25.00 C ATOM 2440 CZ PHE A 161 1.512 2.856 5.109 1.00 25.00 C ATOM 0 H PHE A 161 -0.551 8.742 6.010 1.00 25.00 H new ATOM 0 HA PHE A 161 2.214 7.579 5.693 1.00 25.00 H new ATOM 0 HB2 PHE A 161 -0.262 7.207 4.086 1.00 25.00 H new ATOM 0 HB3 PHE A 161 1.295 7.305 3.287 1.00 25.00 H new ATOM 0 HD1 PHE A 161 -0.492 5.494 6.043 1.00 50.00 H new ATOM 0 HD2 PHE A 161 2.708 5.381 3.197 1.00 50.00 H new ATOM 0 HE1 PHE A 161 -0.173 2.975 6.500 1.00 25.00 H new ATOM 0 HE2 PHE A 161 3.135 3.043 3.675 1.00 25.00 H new ATOM 0 HZ PHE A 161 1.697 1.807 5.290 1.00 25.00 H new ATOM 2450 N TYR A 162 2.741 9.880 4.635 1.00 25.00 N ATOM 2451 CA TYR A 162 3.201 11.257 4.271 1.00 25.00 C ATOM 2452 C TYR A 162 4.339 11.217 3.267 1.00 25.00 C ATOM 2453 O TYR A 162 5.277 10.473 3.458 1.00 25.00 O ATOM 2454 CB TYR A 162 3.836 12.059 5.399 1.00 25.00 C ATOM 2455 CG TYR A 162 2.921 12.351 6.603 1.00 25.00 C ATOM 2456 CD1 TYR A 162 3.301 11.875 7.902 1.00 50.00 C ATOM 2457 CD2 TYR A 162 1.713 12.996 6.414 1.00 50.00 C ATOM 2458 CE1 TYR A 162 2.495 12.171 9.010 1.00 25.00 C ATOM 2459 CE2 TYR A 162 0.860 13.194 7.548 1.00 25.00 C ATOM 2460 CZ TYR A 162 1.266 12.845 8.833 1.00 25.00 C ATOM 2461 OH TYR A 162 0.443 13.196 9.870 1.00 25.00 O ATOM 0 H TYR A 162 3.521 9.247 4.814 1.00 25.00 H new ATOM 0 HA TYR A 162 2.273 11.710 3.923 1.00 25.00 H new ATOM 0 HB2 TYR A 162 4.714 11.520 5.755 1.00 25.00 H new ATOM 0 HB3 TYR A 162 4.187 13.008 4.993 1.00 25.00 H new ATOM 0 HD1 TYR A 162 4.202 11.293 8.025 1.00 50.00 H new ATOM 0 HD2 TYR A 162 1.419 13.343 5.434 1.00 50.00 H new ATOM 0 HE1 TYR A 162 2.814 11.883 10.001 1.00 25.00 H new ATOM 0 HE2 TYR A 162 -0.120 13.624 7.403 1.00 25.00 H new ATOM 0 HH TYR A 162 -0.350 13.653 9.518 1.00 25.00 H new ATOM 2471 N GLN A 163 4.312 12.116 2.265 1.00 25.00 N ATOM 2472 CA GLN A 163 5.421 12.230 1.342 1.00 25.00 C ATOM 2473 C GLN A 163 5.258 13.651 0.690 1.00 25.00 C ATOM 2474 O GLN A 163 4.242 14.295 0.949 1.00 25.00 O ATOM 2475 CB GLN A 163 5.424 11.052 0.271 1.00 25.00 C ATOM 2476 CG GLN A 163 4.323 11.027 -0.673 1.00 25.00 C ATOM 2477 CD GLN A 163 4.475 9.903 -1.630 1.00 25.00 C ATOM 2478 OE1 GLN A 163 3.744 8.917 -1.590 1.00 25.00 O ATOM 2479 NE2 GLN A 163 5.406 10.007 -2.592 1.00 25.00 N ATOM 0 H GLN A 163 3.540 12.758 2.088 1.00 25.00 H new ATOM 0 HA GLN A 163 6.385 12.135 1.842 1.00 25.00 H new ATOM 0 HB2 GLN A 163 6.355 11.108 -0.293 1.00 25.00 H new ATOM 0 HB3 GLN A 163 5.433 10.104 0.808 1.00 25.00 H new ATOM 0 HG2 GLN A 163 3.380 10.928 -0.136 1.00 25.00 H new ATOM 0 HG3 GLN A 163 4.283 11.971 -1.217 1.00 25.00 H new ATOM 0 HE21 GLN A 163 6.014 10.825 -2.627 1.00 25.00 H new ATOM 0 HE22 GLN A 163 5.505 9.268 -3.288 1.00 25.00 H new ATOM 2488 N VAL A 164 6.210 14.036 -0.133 1.00 25.00 N ATOM 2489 CA VAL A 164 6.199 15.315 -0.821 1.00 25.00 C ATOM 2490 C VAL A 164 6.607 15.056 -2.277 1.00 25.00 C ATOM 2491 O VAL A 164 7.059 13.967 -2.661 1.00 25.00 O ATOM 2492 CB VAL A 164 7.200 16.275 -0.175 1.00 25.00 C ATOM 2493 CG1 VAL A 164 6.868 16.472 1.300 1.00 75.00 C ATOM 2494 CG2 VAL A 164 8.570 15.750 -0.230 1.00 75.00 C ATOM 0 H VAL A 164 7.026 13.463 -0.348 1.00 25.00 H new ATOM 0 HA VAL A 164 5.208 15.766 -0.764 1.00 25.00 H new ATOM 0 HB VAL A 164 7.133 17.211 -0.730 1.00 25.00 H new ATOM 0 HG11 VAL A 164 7.588 17.157 1.747 1.00 75.00 H new ATOM 0 HG12 VAL A 164 5.865 16.888 1.395 1.00 75.00 H new ATOM 0 HG13 VAL A 164 6.913 15.512 1.814 1.00 75.00 H new ATOM 0 HG21 VAL A 164 9.251 16.460 0.239 1.00 75.00 H new ATOM 0 HG22 VAL A 164 8.617 14.799 0.300 1.00 75.00 H new ATOM 0 HG23 VAL A 164 8.861 15.601 -1.270 1.00 75.00 H new ATOM 2504 N ILE A 165 6.327 16.066 -3.070 1.00 25.00 N ATOM 2505 CA ILE A 165 6.646 16.173 -4.476 1.00 25.00 C ATOM 2506 C ILE A 165 7.230 17.565 -4.658 1.00 25.00 C ATOM 2507 O ILE A 165 6.589 18.555 -4.347 1.00 25.00 O ATOM 2508 CB ILE A 165 5.413 16.043 -5.457 1.00 25.00 C ATOM 2509 CG1 ILE A 165 4.568 14.771 -5.117 1.00 25.00 C ATOM 2510 CG2 ILE A 165 5.864 16.104 -6.897 1.00 25.00 C ATOM 2511 CD1 ILE A 165 5.125 13.408 -5.479 1.00 25.00 C ATOM 0 H ILE A 165 5.836 16.891 -2.725 1.00 25.00 H new ATOM 0 HA ILE A 165 7.314 15.350 -4.728 1.00 25.00 H new ATOM 0 HB ILE A 165 4.748 16.895 -5.314 1.00 25.00 H new ATOM 0 HG12 ILE A 165 4.380 14.777 -4.043 1.00 25.00 H new ATOM 0 HG13 ILE A 165 3.602 14.875 -5.610 1.00 25.00 H new ATOM 0 HG21 ILE A 165 4.999 16.012 -7.553 1.00 25.00 H new ATOM 0 HG22 ILE A 165 6.361 17.056 -7.083 1.00 25.00 H new ATOM 0 HG23 ILE A 165 6.558 15.287 -7.096 1.00 25.00 H new ATOM 0 HD11 ILE A 165 4.419 12.634 -5.177 1.00 25.00 H new ATOM 0 HD12 ILE A 165 5.283 13.354 -6.556 1.00 25.00 H new ATOM 0 HD13 ILE A 165 6.074 13.254 -4.965 1.00 25.00 H new ATOM 2523 N ASP A 166 8.453 17.595 -5.128 1.00 25.00 N ATOM 2524 CA ASP A 166 9.198 18.834 -5.322 1.00 25.00 C ATOM 2525 C ASP A 166 8.898 19.367 -6.725 1.00 25.00 C ATOM 2526 O ASP A 166 8.953 18.624 -7.744 1.00 25.00 O ATOM 2527 CB ASP A 166 10.679 18.436 -5.087 1.00 25.00 C ATOM 2528 CG ASP A 166 11.550 19.590 -4.665 1.00 25.00 C ATOM 2529 OD1 ASP A 166 11.565 20.647 -5.258 1.00 25.00 O ATOM 2530 OD2 ASP A 166 12.349 19.375 -3.718 1.00 25.00 O1- ATOM 0 H ASP A 166 8.972 16.757 -5.392 1.00 25.00 H new ATOM 0 HA ASP A 166 8.932 19.646 -4.645 1.00 25.00 H new ATOM 0 HB2 ASP A 166 10.722 17.660 -4.323 1.00 25.00 H new ATOM 0 HB3 ASP A 166 11.081 18.004 -6.003 1.00 25.00 H new ATOM 2535 N VAL A 167 8.436 20.624 -6.806 1.00 25.00 N ATOM 2536 CA VAL A 167 8.089 21.251 -8.043 1.00 25.00 C ATOM 2537 C VAL A 167 8.590 22.696 -8.264 1.00 25.00 C ATOM 2538 O VAL A 167 8.964 23.388 -7.326 1.00 25.00 O ATOM 2539 CB VAL A 167 6.560 21.329 -8.263 1.00 25.00 C ATOM 2540 CG1 VAL A 167 5.952 20.004 -8.302 1.00 50.00 C ATOM 2541 CG2 VAL A 167 5.869 22.155 -7.214 1.00 50.00 C ATOM 0 H VAL A 167 8.299 21.222 -5.991 1.00 25.00 H new ATOM 0 HA VAL A 167 8.599 20.590 -8.744 1.00 25.00 H new ATOM 0 HB VAL A 167 6.427 21.816 -9.229 1.00 25.00 H new ATOM 0 HG11 VAL A 167 4.878 20.101 -8.458 1.00 50.00 H new ATOM 0 HG12 VAL A 167 6.387 19.428 -9.119 1.00 50.00 H new ATOM 0 HG13 VAL A 167 6.137 19.491 -7.358 1.00 50.00 H new ATOM 0 HG21 VAL A 167 4.798 22.177 -7.415 1.00 50.00 H new ATOM 0 HG22 VAL A 167 6.045 21.716 -6.232 1.00 50.00 H new ATOM 0 HG23 VAL A 167 6.263 23.171 -7.233 1.00 50.00 H new ATOM 2551 N ASP A 168 8.678 23.130 -9.519 1.00 25.00 N ATOM 2552 CA ASP A 168 9.089 24.478 -9.830 1.00 25.00 C ATOM 2553 C ASP A 168 8.049 24.899 -10.797 1.00 25.00 C ATOM 2554 O ASP A 168 7.811 24.124 -11.723 1.00 25.00 O ATOM 2555 CB ASP A 168 10.483 24.472 -10.452 1.00 25.00 C ATOM 2556 CG ASP A 168 11.161 25.891 -10.455 1.00 25.00 C ATOM 2557 OD1 ASP A 168 12.073 26.094 -9.654 1.00 25.00 O ATOM 2558 OD2 ASP A 168 10.808 26.764 -11.313 1.00 25.00 O1- ATOM 0 H ASP A 168 8.467 22.556 -10.335 1.00 25.00 H new ATOM 0 HA ASP A 168 9.164 25.143 -8.970 1.00 25.00 H new ATOM 0 HB2 ASP A 168 11.116 23.774 -9.904 1.00 25.00 H new ATOM 0 HB3 ASP A 168 10.416 24.105 -11.476 1.00 25.00 H new ATOM 2563 N LEU A 169 7.373 25.997 -10.539 1.00 25.00 N ATOM 2564 CA LEU A 169 6.246 26.456 -11.360 1.00 25.00 C ATOM 2565 C LEU A 169 6.676 27.756 -12.012 1.00 25.00 C ATOM 2566 O LEU A 169 7.267 28.581 -11.365 1.00 25.00 O ATOM 2567 CB LEU A 169 5.028 26.638 -10.458 1.00 25.00 C ATOM 2568 CG LEU A 169 4.367 25.357 -9.902 1.00 25.00 C ATOM 2569 CD1 LEU A 169 3.338 25.785 -8.881 1.00 50.00 C ATOM 2570 CD2 LEU A 169 3.752 24.510 -10.926 1.00 50.00 C ATOM 0 H LEU A 169 7.582 26.609 -9.750 1.00 25.00 H new ATOM 0 HA LEU A 169 5.973 25.741 -12.136 1.00 25.00 H new ATOM 0 HB2 LEU A 169 5.323 27.261 -9.613 1.00 25.00 H new ATOM 0 HB3 LEU A 169 4.274 27.193 -11.016 1.00 25.00 H new ATOM 0 HG LEU A 169 5.147 24.738 -9.457 1.00 25.00 H new ATOM 0 HD11 LEU A 169 2.849 24.904 -8.466 1.00 50.00 H new ATOM 0 HD12 LEU A 169 3.828 26.339 -8.081 1.00 50.00 H new ATOM 0 HD13 LEU A 169 2.593 26.421 -9.359 1.00 50.00 H new ATOM 0 HD21 LEU A 169 3.310 23.632 -10.455 1.00 50.00 H new ATOM 0 HD22 LEU A 169 2.976 25.072 -11.445 1.00 50.00 H new ATOM 0 HD23 LEU A 169 4.511 24.195 -11.641 1.00 50.00 H new ATOM 2582 N VAL A 170 6.471 27.820 -13.312 1.00 25.00 N ATOM 2583 CA VAL A 170 6.943 28.954 -14.165 1.00 25.00 C ATOM 2584 C VAL A 170 5.876 29.658 -15.004 1.00 25.00 C ATOM 2585 O VAL A 170 4.883 29.045 -15.320 1.00 25.00 O ATOM 2586 CB VAL A 170 8.200 28.496 -15.027 1.00 25.00 C ATOM 2587 CG1 VAL A 170 9.351 28.171 -14.081 1.00 50.00 C ATOM 2588 CG2 VAL A 170 7.875 27.271 -15.865 1.00 50.00 C ATOM 0 H VAL A 170 5.973 27.098 -13.833 1.00 25.00 H new ATOM 0 HA VAL A 170 7.242 29.738 -13.469 1.00 25.00 H new ATOM 0 HB VAL A 170 8.476 29.306 -15.703 1.00 25.00 H new ATOM 0 HG11 VAL A 170 10.219 27.856 -14.659 1.00 50.00 H new ATOM 0 HG12 VAL A 170 9.605 29.057 -13.499 1.00 50.00 H new ATOM 0 HG13 VAL A 170 9.053 27.368 -13.407 1.00 50.00 H new ATOM 0 HG21 VAL A 170 8.753 26.982 -16.443 1.00 50.00 H new ATOM 0 HG22 VAL A 170 7.585 26.449 -15.211 1.00 50.00 H new ATOM 0 HG23 VAL A 170 7.054 27.502 -16.544 1.00 50.00 H new ATOM 2598 N ASN A 171 6.181 30.892 -15.384 1.00 25.00 N ATOM 2599 CA ASN A 171 5.352 31.626 -16.265 1.00 25.00 C ATOM 2600 C ASN A 171 5.685 31.200 -17.755 1.00 25.00 C ATOM 2601 O ASN A 171 6.864 30.945 -18.021 1.00 25.00 O ATOM 2602 CB ASN A 171 5.562 33.114 -16.084 1.00 25.00 C ATOM 2603 CG ASN A 171 4.542 33.906 -16.792 1.00 25.00 C ATOM 2604 OD1 ASN A 171 3.622 33.375 -17.417 1.00 25.00 O ATOM 2605 ND2 ASN A 171 4.686 35.233 -16.821 1.00 25.00 N ATOM 0 H ASN A 171 7.015 31.392 -15.077 1.00 25.00 H new ATOM 0 HA ASN A 171 4.307 31.407 -16.044 1.00 25.00 H new ATOM 0 HB2 ASN A 171 5.537 33.357 -15.022 1.00 25.00 H new ATOM 0 HB3 ASN A 171 6.552 33.387 -16.450 1.00 25.00 H new ATOM 0 HD21 ASN A 171 4.035 35.805 -17.360 1.00 25.00 H new ATOM 0 HD22 ASN A 171 5.447 35.675 -16.305 1.00 25.00 H new ATOM 2612 N LYS A 172 4.676 30.914 -18.565 1.00 25.00 N ATOM 2613 CA LYS A 172 4.901 30.263 -19.856 1.00 25.00 C ATOM 2614 C LYS A 172 5.586 31.235 -20.854 1.00 25.00 C ATOM 2615 O LYS A 172 5.663 32.439 -20.545 1.00 25.00 O ATOM 2616 CB LYS A 172 3.538 29.778 -20.342 1.00 25.00 C ATOM 2617 CG LYS A 172 2.547 30.979 -20.462 1.00 25.00 C ATOM 2618 CD LYS A 172 1.296 30.531 -21.257 1.00 25.00 C ATOM 2619 CE LYS A 172 0.271 31.696 -21.442 1.00 25.00 C ATOM 2620 NZ LYS A 172 -1.021 31.293 -22.079 1.00 25.00 N1+ ATOM 2621 OXT LYS A 172 5.969 30.780 -21.929 1.00 25.00 O1- ATOM 0 H LYS A 172 3.699 31.119 -18.357 1.00 25.00 H new ATOM 0 HA LYS A 172 5.582 29.416 -19.767 1.00 25.00 H new ATOM 0 HB2 LYS A 172 3.643 29.286 -21.309 1.00 25.00 H new ATOM 0 HB3 LYS A 172 3.140 29.037 -19.649 1.00 25.00 H new ATOM 0 HG2 LYS A 172 2.257 31.327 -19.471 1.00 25.00 H new ATOM 0 HG3 LYS A 172 3.031 31.816 -20.965 1.00 25.00 H new ATOM 0 HD2 LYS A 172 1.602 30.159 -22.235 1.00 25.00 H new ATOM 0 HD3 LYS A 172 0.814 29.703 -20.737 1.00 25.00 H new ATOM 0 HE2 LYS A 172 0.059 32.134 -20.467 1.00 25.00 H new ATOM 0 HE3 LYS A 172 0.732 32.476 -22.048 1.00 25.00 H new ATOM 0 HZ1 LYS A 172 -1.641 32.124 -22.163 1.00 25.00 H new ATOM 0 HZ2 LYS A 172 -0.835 30.902 -23.025 1.00 25.00 H new ATOM 0 HZ3 LYS A 172 -1.487 30.572 -21.492 1.00 25.00 H new