USER MOD reduce.3.24.130724 H: found=0, std=0, add=920, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 926 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: B 83 SER OG : rot 180:sc=-0.00785 USER MOD Set 1.2: B 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 102 THR OG1 : rot 180:sc= -1.32 USER MOD Set 2.2: B 69 MET CE :methyl -143:sc= -6.84! (180deg=-7.98!) USER MOD Set 3.1: A 100 THR OG1 : rot -13:sc= -3.75! USER MOD Set 3.2: B 100 THR OG1 : rot -12:sc= -9.64! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 173:sc= -7.16! (180deg=-7.58!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl -161:sc= -0.278 (180deg=-1.05) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl -147:sc= -0.22 (180deg=-1.3) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 81:sc= 1.32 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-0.4) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 68 SER OG : rot 180:sc= 0 USER MOD Single : B 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 82 MET CE :methyl -161:sc= -0.152 (180deg=-0.709) USER MOD Single : B 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 88 MET CE :methyl -140:sc= -0.289 (180deg=-2.32!) USER MOD Single : B 89 THR OG1 : rot 180:sc= 0 USER MOD Single : B 96 TYR OH : rot 180:sc= 0 USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 102 THR OG1 : rot 180:sc= 0 USER MOD Single : B 106 SER OG : rot 65:sc= 1.07 USER MOD Single : B 108 THR OG1 : rot 180:sc= 0 USER MOD Single : B 116 HIS : no HD1:sc= -0.766 K(o=-0.77,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 61 9.012 -8.711 13.329 1.00 0.00 N ATOM 2 CA ALA A 61 8.256 -9.565 12.377 1.00 0.00 C ATOM 3 C ALA A 61 8.947 -9.633 11.027 1.00 0.00 C ATOM 4 O ALA A 61 9.438 -8.623 10.521 1.00 0.00 O ATOM 5 CB ALA A 61 6.844 -9.037 12.187 1.00 0.00 C ATOM 0 HA ALA A 61 8.216 -10.567 12.804 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.308 -9.677 11.486 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.325 -9.033 13.145 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.885 -8.022 11.793 1.00 0.00 H new ATOM 13 N SER A 62 8.959 -10.818 10.433 1.00 0.00 N ATOM 14 CA SER A 62 9.563 -10.998 9.127 1.00 0.00 C ATOM 15 C SER A 62 8.856 -10.118 8.118 1.00 0.00 C ATOM 16 O SER A 62 7.650 -9.890 8.208 1.00 0.00 O ATOM 17 CB SER A 62 9.480 -12.452 8.688 1.00 0.00 C ATOM 18 OG SER A 62 9.982 -13.324 9.686 1.00 0.00 O ATOM 0 H SER A 62 8.558 -11.665 10.836 1.00 0.00 H new ATOM 0 HA SER A 62 10.614 -10.717 9.188 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.444 -12.708 8.467 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.046 -12.588 7.766 1.00 0.00 H new ATOM 0 HG SER A 62 9.914 -14.251 9.375 1.00 0.00 H new ATOM 24 N ASP A 63 9.615 -9.622 7.168 1.00 0.00 N ATOM 25 CA ASP A 63 9.078 -8.752 6.141 1.00 0.00 C ATOM 26 C ASP A 63 8.238 -9.536 5.138 1.00 0.00 C ATOM 27 O ASP A 63 7.270 -9.010 4.586 1.00 0.00 O ATOM 28 CB ASP A 63 10.216 -8.015 5.440 1.00 0.00 C ATOM 29 CG ASP A 63 11.009 -7.138 6.389 1.00 0.00 C ATOM 30 OD1 ASP A 63 10.411 -6.224 6.993 1.00 0.00 O ATOM 31 OD2 ASP A 63 12.229 -7.367 6.528 1.00 0.00 O ATOM 0 H ASP A 63 10.615 -9.807 7.083 1.00 0.00 H new ATOM 0 HA ASP A 63 8.423 -8.020 6.614 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.884 -8.741 4.977 1.00 0.00 H new ATOM 0 HB3 ASP A 63 9.807 -7.401 4.638 1.00 0.00 H new ATOM 36 N ASP A 64 8.607 -10.793 4.907 1.00 0.00 N ATOM 37 CA ASP A 64 7.875 -11.639 3.970 1.00 0.00 C ATOM 38 C ASP A 64 6.422 -11.767 4.376 1.00 0.00 C ATOM 39 O ASP A 64 5.545 -11.845 3.530 1.00 0.00 O ATOM 40 CB ASP A 64 8.512 -13.028 3.871 1.00 0.00 C ATOM 41 CG ASP A 64 7.784 -13.953 2.912 1.00 0.00 C ATOM 42 OD1 ASP A 64 6.867 -13.486 2.206 1.00 0.00 O ATOM 43 OD2 ASP A 64 8.146 -15.148 2.855 1.00 0.00 O ATOM 0 H ASP A 64 9.404 -11.246 5.353 1.00 0.00 H new ATOM 0 HA ASP A 64 7.924 -11.162 2.991 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.548 -12.923 3.549 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.531 -13.483 4.861 1.00 0.00 H new ATOM 48 N GLU A 65 6.162 -11.793 5.669 1.00 0.00 N ATOM 49 CA GLU A 65 4.804 -11.915 6.143 1.00 0.00 C ATOM 50 C GLU A 65 3.928 -10.818 5.541 1.00 0.00 C ATOM 51 O GLU A 65 2.724 -10.995 5.352 1.00 0.00 O ATOM 52 CB GLU A 65 4.757 -11.858 7.670 1.00 0.00 C ATOM 53 CG GLU A 65 3.356 -11.993 8.243 1.00 0.00 C ATOM 54 CD GLU A 65 3.335 -11.912 9.757 1.00 0.00 C ATOM 55 OE1 GLU A 65 3.985 -12.758 10.406 1.00 0.00 O ATOM 56 OE2 GLU A 65 2.669 -11.002 10.292 1.00 0.00 O ATOM 0 H GLU A 65 6.869 -11.732 6.402 1.00 0.00 H new ATOM 0 HA GLU A 65 4.416 -12.883 5.825 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.383 -12.653 8.074 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.187 -10.913 8.003 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.722 -11.207 7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.929 -12.945 7.928 1.00 0.00 H new ATOM 63 N LEU A 66 4.556 -9.686 5.244 1.00 0.00 N ATOM 64 CA LEU A 66 3.869 -8.537 4.662 1.00 0.00 C ATOM 65 C LEU A 66 3.896 -8.592 3.141 1.00 0.00 C ATOM 66 O LEU A 66 2.925 -8.264 2.470 1.00 0.00 O ATOM 67 CB LEU A 66 4.537 -7.240 5.120 1.00 0.00 C ATOM 68 CG LEU A 66 4.511 -6.970 6.631 1.00 0.00 C ATOM 69 CD1 LEU A 66 3.088 -7.039 7.167 1.00 0.00 C ATOM 70 CD2 LEU A 66 5.415 -7.942 7.375 1.00 0.00 C ATOM 0 H LEU A 66 5.553 -9.538 5.399 1.00 0.00 H new ATOM 0 HA LEU A 66 2.833 -8.565 4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.576 -7.253 4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.052 -6.406 4.613 1.00 0.00 H new ATOM 0 HG LEU A 66 4.891 -5.962 6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.093 -6.845 8.240 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.474 -6.291 6.666 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.677 -8.031 6.980 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.378 -7.728 8.443 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.076 -8.963 7.197 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.439 -7.832 7.018 1.00 0.00 H new ATOM 82 N PHE A 67 5.036 -8.979 2.604 1.00 0.00 N ATOM 83 CA PHE A 67 5.223 -9.052 1.165 1.00 0.00 C ATOM 84 C PHE A 67 4.471 -10.226 0.556 1.00 0.00 C ATOM 85 O PHE A 67 4.008 -10.161 -0.581 1.00 0.00 O ATOM 86 CB PHE A 67 6.708 -9.173 0.880 1.00 0.00 C ATOM 87 CG PHE A 67 7.493 -7.999 1.365 1.00 0.00 C ATOM 88 CD1 PHE A 67 7.006 -6.706 1.227 1.00 0.00 C ATOM 89 CD2 PHE A 67 8.719 -8.190 1.972 1.00 0.00 C ATOM 90 CE1 PHE A 67 7.739 -5.627 1.686 1.00 0.00 C ATOM 91 CE2 PHE A 67 9.453 -7.122 2.428 1.00 0.00 C ATOM 92 CZ PHE A 67 8.967 -5.840 2.288 1.00 0.00 C ATOM 0 H PHE A 67 5.855 -9.251 3.147 1.00 0.00 H new ATOM 0 HA PHE A 67 4.821 -8.147 0.710 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.090 -10.078 1.351 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.858 -9.285 -0.194 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.047 -6.542 0.758 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.105 -9.192 2.090 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.355 -4.624 1.575 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.412 -7.287 2.897 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.544 -5.001 2.648 1.00 0.00 H new ATOM 102 N SER A 68 4.368 -11.297 1.320 1.00 0.00 N ATOM 103 CA SER A 68 3.688 -12.504 0.871 1.00 0.00 C ATOM 104 C SER A 68 2.238 -12.211 0.511 1.00 0.00 C ATOM 105 O SER A 68 1.777 -12.577 -0.568 1.00 0.00 O ATOM 106 CB SER A 68 3.774 -13.569 1.955 1.00 0.00 C ATOM 107 OG SER A 68 3.135 -14.768 1.554 1.00 0.00 O ATOM 0 H SER A 68 4.750 -11.358 2.264 1.00 0.00 H new ATOM 0 HA SER A 68 4.180 -12.873 -0.029 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.820 -13.772 2.186 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.312 -13.197 2.870 1.00 0.00 H new ATOM 0 HG SER A 68 3.208 -15.433 2.270 1.00 0.00 H new ATOM 113 N MET A 69 1.524 -11.530 1.399 1.00 0.00 N ATOM 114 CA MET A 69 0.147 -11.178 1.126 1.00 0.00 C ATOM 115 C MET A 69 0.086 -10.356 -0.157 1.00 0.00 C ATOM 116 O MET A 69 -0.858 -10.467 -0.938 1.00 0.00 O ATOM 117 CB MET A 69 -0.462 -10.400 2.291 1.00 0.00 C ATOM 118 CG MET A 69 0.451 -9.320 2.825 1.00 0.00 C ATOM 119 SD MET A 69 -0.444 -7.893 3.458 1.00 0.00 S ATOM 120 CE MET A 69 0.902 -6.729 3.647 1.00 0.00 C ATOM 0 H MET A 69 1.876 -11.216 2.303 1.00 0.00 H new ATOM 0 HA MET A 69 -0.435 -12.091 1.001 1.00 0.00 H new ATOM 0 HB2 MET A 69 -1.399 -9.948 1.967 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.704 -11.094 3.096 1.00 0.00 H new ATOM 0 HG2 MET A 69 1.070 -9.736 3.620 1.00 0.00 H new ATOM 0 HG3 MET A 69 1.125 -8.997 2.032 1.00 0.00 H new ATOM 0 HE1 MET A 69 0.502 -5.751 3.913 1.00 0.00 H new ATOM 0 HE2 MET A 69 1.573 -7.073 4.434 1.00 0.00 H new ATOM 0 HE3 MET A 69 1.452 -6.653 2.709 1.00 0.00 H new ATOM 130 N LEU A 70 1.128 -9.549 -0.375 1.00 0.00 N ATOM 131 CA LEU A 70 1.230 -8.726 -1.572 1.00 0.00 C ATOM 132 C LEU A 70 1.465 -9.617 -2.771 1.00 0.00 C ATOM 133 O LEU A 70 1.022 -9.332 -3.873 1.00 0.00 O ATOM 134 CB LEU A 70 2.378 -7.727 -1.420 1.00 0.00 C ATOM 135 CG LEU A 70 2.288 -6.872 -0.176 1.00 0.00 C ATOM 136 CD1 LEU A 70 3.531 -6.021 -0.028 1.00 0.00 C ATOM 137 CD2 LEU A 70 1.047 -6.013 -0.247 1.00 0.00 C ATOM 0 H LEU A 70 1.914 -9.452 0.268 1.00 0.00 H new ATOM 0 HA LEU A 70 0.303 -8.170 -1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.321 -8.273 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.399 -7.077 -2.295 1.00 0.00 H new ATOM 0 HG LEU A 70 2.220 -7.515 0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.450 -5.412 0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.407 -6.666 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.633 -5.372 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.980 -5.396 0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.098 -5.371 -1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.166 -6.651 -0.314 1.00 0.00 H new ATOM 149 N ASP A 71 2.168 -10.706 -2.529 1.00 0.00 N ATOM 150 CA ASP A 71 2.475 -11.675 -3.565 1.00 0.00 C ATOM 151 C ASP A 71 1.202 -12.225 -4.184 1.00 0.00 C ATOM 152 O ASP A 71 1.127 -12.444 -5.393 1.00 0.00 O ATOM 153 CB ASP A 71 3.289 -12.819 -2.962 1.00 0.00 C ATOM 154 CG ASP A 71 3.707 -13.848 -3.995 1.00 0.00 C ATOM 155 OD1 ASP A 71 4.374 -13.465 -4.978 1.00 0.00 O ATOM 156 OD2 ASP A 71 3.369 -15.037 -3.819 1.00 0.00 O ATOM 0 H ASP A 71 2.542 -10.945 -1.611 1.00 0.00 H new ATOM 0 HA ASP A 71 3.052 -11.181 -4.347 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.178 -12.412 -2.480 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.701 -13.308 -2.185 1.00 0.00 H new ATOM 161 N GLN A 72 0.210 -12.462 -3.340 1.00 0.00 N ATOM 162 CA GLN A 72 -1.057 -13.008 -3.796 1.00 0.00 C ATOM 163 C GLN A 72 -1.945 -11.953 -4.438 1.00 0.00 C ATOM 164 O GLN A 72 -2.670 -12.229 -5.393 1.00 0.00 O ATOM 165 CB GLN A 72 -1.789 -13.683 -2.637 1.00 0.00 C ATOM 166 CG GLN A 72 -1.102 -14.939 -2.127 1.00 0.00 C ATOM 167 CD GLN A 72 -1.844 -15.580 -0.971 1.00 0.00 C ATOM 168 OE1 GLN A 72 -2.037 -14.962 0.077 1.00 0.00 O ATOM 169 NE2 GLN A 72 -2.269 -16.824 -1.155 1.00 0.00 N ATOM 0 H GLN A 72 0.258 -12.285 -2.337 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.832 -13.749 -4.563 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -1.883 -12.973 -1.816 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.800 -13.937 -2.956 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.015 -15.658 -2.942 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.089 -14.692 -1.811 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.088 -17.299 -2.039 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.777 -17.304 -0.412 1.00 0.00 H new ATOM 178 N ARG A 73 -1.888 -10.750 -3.906 1.00 0.00 N ATOM 179 CA ARG A 73 -2.689 -9.647 -4.418 1.00 0.00 C ATOM 180 C ARG A 73 -2.096 -9.091 -5.704 1.00 0.00 C ATOM 181 O ARG A 73 -2.810 -8.787 -6.660 1.00 0.00 O ATOM 182 CB ARG A 73 -2.765 -8.550 -3.367 1.00 0.00 C ATOM 183 CG ARG A 73 -3.586 -8.938 -2.148 1.00 0.00 C ATOM 184 CD ARG A 73 -3.628 -7.821 -1.119 1.00 0.00 C ATOM 185 NE ARG A 73 -4.506 -8.143 0.005 1.00 0.00 N ATOM 186 CZ ARG A 73 -4.312 -9.172 0.827 1.00 0.00 C ATOM 187 NH1 ARG A 73 -3.262 -9.967 0.668 1.00 0.00 N ATOM 188 NH2 ARG A 73 -5.169 -9.403 1.813 1.00 0.00 N ATOM 0 H ARG A 73 -1.293 -10.506 -3.114 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.690 -10.017 -4.640 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.755 -8.292 -3.048 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.196 -7.656 -3.817 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.601 -9.186 -2.457 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.163 -9.834 -1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.620 -7.631 -0.749 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.971 -6.902 -1.595 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.315 -7.544 0.169 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.599 -9.791 -0.087 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.118 -10.754 1.301 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.976 -8.792 1.941 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.021 -10.191 2.443 1.00 0.00 H new ATOM 202 N PHE A 74 -0.781 -8.967 -5.706 1.00 0.00 N ATOM 203 CA PHE A 74 -0.043 -8.453 -6.850 1.00 0.00 C ATOM 204 C PHE A 74 -0.039 -9.464 -7.986 1.00 0.00 C ATOM 205 O PHE A 74 0.203 -9.115 -9.142 1.00 0.00 O ATOM 206 CB PHE A 74 1.399 -8.150 -6.439 1.00 0.00 C ATOM 207 CG PHE A 74 1.573 -6.967 -5.519 1.00 0.00 C ATOM 208 CD1 PHE A 74 0.492 -6.373 -4.870 1.00 0.00 C ATOM 209 CD2 PHE A 74 2.838 -6.450 -5.302 1.00 0.00 C ATOM 210 CE1 PHE A 74 0.683 -5.295 -4.028 1.00 0.00 C ATOM 211 CE2 PHE A 74 3.031 -5.375 -4.462 1.00 0.00 C ATOM 212 CZ PHE A 74 1.955 -4.796 -3.824 1.00 0.00 C ATOM 0 H PHE A 74 -0.191 -9.220 -4.913 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.531 -7.540 -7.193 1.00 0.00 H new ATOM 0 HB2 PHE A 74 1.813 -9.032 -5.951 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.988 -7.978 -7.340 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.504 -6.759 -5.027 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.687 -6.896 -5.799 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.161 -4.842 -3.529 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.026 -4.986 -4.303 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.106 -3.953 -3.166 1.00 0.00 H new ATOM 222 N GLY A 75 -0.293 -10.722 -7.647 1.00 0.00 N ATOM 223 CA GLY A 75 -0.296 -11.768 -8.655 1.00 0.00 C ATOM 224 C GLY A 75 -0.504 -13.154 -8.077 1.00 0.00 C ATOM 225 O GLY A 75 0.402 -13.987 -8.107 1.00 0.00 O ATOM 0 H GLY A 75 -0.496 -11.037 -6.698 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.083 -11.562 -9.381 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.650 -11.745 -9.196 1.00 0.00 H new ATOM 229 N GLY A 76 -1.699 -13.401 -7.550 1.00 0.00 N ATOM 230 CA GLY A 76 -2.009 -14.697 -6.973 1.00 0.00 C ATOM 231 C GLY A 76 -1.718 -15.844 -7.919 1.00 0.00 C ATOM 232 O GLY A 76 -1.351 -16.937 -7.489 1.00 0.00 O ATOM 0 H GLY A 76 -2.461 -12.724 -7.512 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.431 -14.830 -6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.062 -14.722 -6.691 1.00 0.00 H new ATOM 236 N GLY A 77 -1.893 -15.589 -9.212 1.00 0.00 N ATOM 237 CA GLY A 77 -1.655 -16.607 -10.222 1.00 0.00 C ATOM 238 C GLY A 77 -0.224 -17.116 -10.238 1.00 0.00 C ATOM 239 O GLY A 77 0.289 -17.579 -9.218 1.00 0.00 O ATOM 0 H GLY A 77 -2.198 -14.688 -9.581 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.329 -17.446 -10.048 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.899 -16.199 -11.203 1.00 0.00 H new ATOM 243 N GLU A 78 0.413 -17.033 -11.408 1.00 0.00 N ATOM 244 CA GLU A 78 1.794 -17.487 -11.592 1.00 0.00 C ATOM 245 C GLU A 78 2.072 -18.770 -10.809 1.00 0.00 C ATOM 246 O GLU A 78 1.196 -19.626 -10.680 1.00 0.00 O ATOM 247 CB GLU A 78 2.779 -16.386 -11.199 1.00 0.00 C ATOM 248 CG GLU A 78 2.524 -15.817 -9.822 1.00 0.00 C ATOM 249 CD GLU A 78 3.486 -14.704 -9.458 1.00 0.00 C ATOM 250 OE1 GLU A 78 4.709 -14.961 -9.434 1.00 0.00 O ATOM 251 OE2 GLU A 78 3.018 -13.577 -9.197 1.00 0.00 O ATOM 0 H GLU A 78 -0.012 -16.650 -12.253 1.00 0.00 H new ATOM 0 HA GLU A 78 1.931 -17.712 -12.650 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.793 -16.785 -11.237 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.725 -15.581 -11.932 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.503 -15.438 -9.774 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.603 -16.615 -9.084 1.00 0.00 H new ATOM 258 N ASP A 79 3.294 -18.901 -10.297 1.00 0.00 N ATOM 259 CA ASP A 79 3.685 -20.086 -9.537 1.00 0.00 C ATOM 260 C ASP A 79 5.131 -19.990 -9.115 1.00 0.00 C ATOM 261 O ASP A 79 5.476 -20.072 -7.936 1.00 0.00 O ATOM 262 CB ASP A 79 3.514 -21.334 -10.396 1.00 0.00 C ATOM 263 CG ASP A 79 3.663 -22.616 -9.600 1.00 0.00 C ATOM 264 OD1 ASP A 79 2.879 -22.818 -8.649 1.00 0.00 O ATOM 265 OD2 ASP A 79 4.562 -23.417 -9.928 1.00 0.00 O ATOM 0 H ASP A 79 4.030 -18.202 -10.395 1.00 0.00 H new ATOM 0 HA ASP A 79 3.050 -20.148 -8.654 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.531 -21.315 -10.866 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.251 -21.322 -11.199 1.00 0.00 H new ATOM 270 N LEU A 80 5.959 -19.830 -10.119 1.00 0.00 N ATOM 271 CA LEU A 80 7.403 -19.729 -9.943 1.00 0.00 C ATOM 272 C LEU A 80 7.772 -18.676 -8.903 1.00 0.00 C ATOM 273 O LEU A 80 7.190 -17.592 -8.862 1.00 0.00 O ATOM 274 CB LEU A 80 8.065 -19.403 -11.278 1.00 0.00 C ATOM 275 CG LEU A 80 7.820 -20.437 -12.380 1.00 0.00 C ATOM 276 CD1 LEU A 80 8.185 -19.871 -13.741 1.00 0.00 C ATOM 277 CD2 LEU A 80 8.594 -21.715 -12.094 1.00 0.00 C ATOM 0 H LEU A 80 5.656 -19.765 -11.091 1.00 0.00 H new ATOM 0 HA LEU A 80 7.765 -20.691 -9.581 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.703 -18.433 -11.621 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.139 -19.306 -11.122 1.00 0.00 H new ATOM 0 HG LEU A 80 6.758 -20.680 -12.394 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.003 -20.623 -14.509 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.576 -18.990 -13.944 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.239 -19.593 -13.749 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.408 -22.439 -12.888 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.660 -21.492 -12.049 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.270 -22.131 -11.140 1.00 0.00 H new ATOM 289 N LEU A 81 8.743 -19.015 -8.063 1.00 0.00 N ATOM 290 CA LEU A 81 9.208 -18.127 -7.010 1.00 0.00 C ATOM 291 C LEU A 81 9.817 -16.856 -7.595 1.00 0.00 C ATOM 292 O LEU A 81 9.568 -15.758 -7.098 1.00 0.00 O ATOM 293 CB LEU A 81 10.238 -18.856 -6.141 1.00 0.00 C ATOM 294 CG LEU A 81 10.378 -18.331 -4.712 1.00 0.00 C ATOM 295 CD1 LEU A 81 10.974 -16.933 -4.703 1.00 0.00 C ATOM 296 CD2 LEU A 81 9.024 -18.349 -4.022 1.00 0.00 C ATOM 0 H LEU A 81 9.228 -19.912 -8.094 1.00 0.00 H new ATOM 0 HA LEU A 81 8.355 -17.839 -6.396 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.970 -19.912 -6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.210 -18.794 -6.630 1.00 0.00 H new ATOM 0 HG LEU A 81 11.059 -18.982 -4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.063 -16.582 -3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.961 -16.955 -5.166 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.326 -16.258 -5.262 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.129 -17.974 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.327 -17.716 -4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.643 -19.370 -3.995 1.00 0.00 H new ATOM 308 N MET A 82 10.617 -17.023 -8.650 1.00 0.00 N ATOM 309 CA MET A 82 11.281 -15.903 -9.321 1.00 0.00 C ATOM 310 C MET A 82 12.459 -15.383 -8.502 1.00 0.00 C ATOM 311 O MET A 82 13.590 -15.336 -8.986 1.00 0.00 O ATOM 312 CB MET A 82 10.290 -14.768 -9.589 1.00 0.00 C ATOM 313 CG MET A 82 9.189 -15.139 -10.566 1.00 0.00 C ATOM 314 SD MET A 82 9.838 -15.626 -12.175 1.00 0.00 S ATOM 315 CE MET A 82 10.878 -14.216 -12.546 1.00 0.00 C ATOM 0 H MET A 82 10.822 -17.933 -9.062 1.00 0.00 H new ATOM 0 HA MET A 82 11.663 -16.272 -10.273 1.00 0.00 H new ATOM 0 HB2 MET A 82 9.839 -14.461 -8.646 1.00 0.00 H new ATOM 0 HB3 MET A 82 10.834 -13.907 -9.977 1.00 0.00 H new ATOM 0 HG2 MET A 82 8.599 -15.957 -10.152 1.00 0.00 H new ATOM 0 HG3 MET A 82 8.515 -14.291 -10.690 1.00 0.00 H new ATOM 0 HE1 MET A 82 11.083 -14.187 -13.616 1.00 0.00 H new ATOM 0 HE2 MET A 82 10.368 -13.300 -12.249 1.00 0.00 H new ATOM 0 HE3 MET A 82 11.817 -14.303 -11.999 1.00 0.00 H new ATOM 325 N SER A 83 12.186 -14.993 -7.264 1.00 0.00 N ATOM 326 CA SER A 83 13.221 -14.477 -6.373 1.00 0.00 C ATOM 327 C SER A 83 14.231 -15.563 -6.015 1.00 0.00 C ATOM 328 O SER A 83 14.512 -16.455 -6.816 1.00 0.00 O ATOM 329 CB SER A 83 12.585 -13.908 -5.101 1.00 0.00 C ATOM 330 OG SER A 83 11.688 -12.855 -5.405 1.00 0.00 O ATOM 0 H SER A 83 11.254 -15.024 -6.851 1.00 0.00 H new ATOM 0 HA SER A 83 13.751 -13.681 -6.895 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.055 -14.699 -4.571 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.365 -13.543 -4.433 1.00 0.00 H new ATOM 0 HG SER A 83 11.295 -12.511 -4.576 1.00 0.00 H new ATOM 336 N GLY A 84 14.775 -15.482 -4.806 1.00 0.00 N ATOM 337 CA GLY A 84 15.750 -16.460 -4.361 1.00 0.00 C ATOM 338 C GLY A 84 17.031 -16.402 -5.170 1.00 0.00 C ATOM 339 O GLY A 84 17.546 -17.431 -5.608 1.00 0.00 O ATOM 0 H GLY A 84 14.558 -14.755 -4.125 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.979 -16.289 -3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.320 -17.459 -4.436 1.00 0.00 H new ATOM 343 N ASP A 85 17.542 -15.190 -5.370 1.00 0.00 N ATOM 344 CA ASP A 85 18.765 -14.987 -6.135 1.00 0.00 C ATOM 345 C ASP A 85 19.245 -13.544 -5.994 1.00 0.00 C ATOM 346 O ASP A 85 19.250 -12.784 -6.963 1.00 0.00 O ATOM 347 CB ASP A 85 18.525 -15.320 -7.608 1.00 0.00 C ATOM 348 CG ASP A 85 19.808 -15.362 -8.419 1.00 0.00 C ATOM 349 OD1 ASP A 85 20.520 -14.338 -8.464 1.00 0.00 O ATOM 350 OD2 ASP A 85 20.100 -16.421 -9.011 1.00 0.00 O ATOM 0 H ASP A 85 17.125 -14.332 -5.010 1.00 0.00 H new ATOM 0 HA ASP A 85 19.536 -15.651 -5.744 1.00 0.00 H new ATOM 0 HB2 ASP A 85 18.023 -16.285 -7.680 1.00 0.00 H new ATOM 0 HB3 ASP A 85 17.853 -14.578 -8.039 1.00 0.00 H new ATOM 355 N ASN A 86 19.632 -13.173 -4.775 1.00 0.00 N ATOM 356 CA ASN A 86 20.105 -11.819 -4.484 1.00 0.00 C ATOM 357 C ASN A 86 18.950 -10.823 -4.511 1.00 0.00 C ATOM 358 O ASN A 86 18.134 -10.827 -5.433 1.00 0.00 O ATOM 359 CB ASN A 86 21.190 -11.398 -5.480 1.00 0.00 C ATOM 360 CG ASN A 86 21.735 -10.014 -5.191 1.00 0.00 C ATOM 361 OD1 ASN A 86 22.271 -9.759 -4.113 1.00 0.00 O ATOM 362 ND2 ASN A 86 21.601 -9.111 -6.156 1.00 0.00 N ATOM 0 H ASN A 86 19.627 -13.795 -3.967 1.00 0.00 H new ATOM 0 HA ASN A 86 20.535 -11.822 -3.482 1.00 0.00 H new ATOM 0 HB2 ASN A 86 22.006 -12.120 -5.451 1.00 0.00 H new ATOM 0 HB3 ASN A 86 20.781 -11.421 -6.490 1.00 0.00 H new ATOM 0 HD21 ASN A 86 21.949 -8.162 -6.019 1.00 0.00 H new ATOM 0 HD22 ASN A 86 21.150 -9.366 -7.034 1.00 0.00 H new ATOM 369 N GLY A 87 18.885 -9.975 -3.488 1.00 0.00 N ATOM 370 CA GLY A 87 17.827 -8.991 -3.402 1.00 0.00 C ATOM 371 C GLY A 87 17.651 -8.476 -1.990 1.00 0.00 C ATOM 372 O GLY A 87 16.839 -9.001 -1.229 1.00 0.00 O ATOM 0 H GLY A 87 19.551 -9.954 -2.715 1.00 0.00 H new ATOM 0 HA2 GLY A 87 18.051 -8.157 -4.067 1.00 0.00 H new ATOM 0 HA3 GLY A 87 16.892 -9.432 -3.747 1.00 0.00 H new ATOM 376 N MET A 88 18.427 -7.457 -1.638 1.00 0.00 N ATOM 377 CA MET A 88 18.373 -6.868 -0.302 1.00 0.00 C ATOM 378 C MET A 88 16.972 -6.381 0.054 1.00 0.00 C ATOM 379 O MET A 88 15.974 -6.827 -0.510 1.00 0.00 O ATOM 380 CB MET A 88 19.347 -5.695 -0.195 1.00 0.00 C ATOM 381 CG MET A 88 19.235 -4.704 -1.341 1.00 0.00 C ATOM 382 SD MET A 88 20.379 -3.320 -1.178 1.00 0.00 S ATOM 383 CE MET A 88 19.873 -2.640 0.400 1.00 0.00 C ATOM 0 H MET A 88 19.105 -7.019 -2.262 1.00 0.00 H new ATOM 0 HA MET A 88 18.654 -7.653 0.400 1.00 0.00 H new ATOM 0 HB2 MET A 88 19.171 -5.172 0.745 1.00 0.00 H new ATOM 0 HB3 MET A 88 20.365 -6.082 -0.158 1.00 0.00 H new ATOM 0 HG2 MET A 88 19.427 -5.220 -2.282 1.00 0.00 H new ATOM 0 HG3 MET A 88 18.215 -4.323 -1.388 1.00 0.00 H new ATOM 0 HE1 MET A 88 20.009 -1.559 0.391 1.00 0.00 H new ATOM 0 HE2 MET A 88 18.823 -2.872 0.576 1.00 0.00 H new ATOM 0 HE3 MET A 88 20.479 -3.075 1.195 1.00 0.00 H new ATOM 393 N THR A 89 16.916 -5.456 1.003 1.00 0.00 N ATOM 394 CA THR A 89 15.656 -4.895 1.456 1.00 0.00 C ATOM 395 C THR A 89 15.001 -4.050 0.366 1.00 0.00 C ATOM 396 O THR A 89 13.828 -4.231 0.052 1.00 0.00 O ATOM 397 CB THR A 89 15.860 -4.033 2.711 1.00 0.00 C ATOM 398 OG1 THR A 89 16.476 -4.808 3.746 1.00 0.00 O ATOM 399 CG2 THR A 89 14.533 -3.496 3.199 1.00 0.00 C ATOM 0 H THR A 89 17.737 -5.078 1.475 1.00 0.00 H new ATOM 0 HA THR A 89 14.999 -5.731 1.696 1.00 0.00 H new ATOM 0 HB THR A 89 16.510 -3.196 2.455 1.00 0.00 H new ATOM 0 HG1 THR A 89 16.603 -4.249 4.541 1.00 0.00 H new ATOM 0 HG21 THR A 89 14.692 -2.887 4.089 1.00 0.00 H new ATOM 0 HG22 THR A 89 14.078 -2.886 2.418 1.00 0.00 H new ATOM 0 HG23 THR A 89 13.871 -4.327 3.442 1.00 0.00 H new ATOM 407 N GLU A 90 15.774 -3.134 -0.208 1.00 0.00 N ATOM 408 CA GLU A 90 15.285 -2.262 -1.271 1.00 0.00 C ATOM 409 C GLU A 90 14.642 -3.069 -2.388 1.00 0.00 C ATOM 410 O GLU A 90 13.481 -2.864 -2.731 1.00 0.00 O ATOM 411 CB GLU A 90 16.452 -1.470 -1.856 1.00 0.00 C ATOM 412 CG GLU A 90 17.035 -0.437 -0.910 1.00 0.00 C ATOM 413 CD GLU A 90 18.266 0.243 -1.477 1.00 0.00 C ATOM 414 OE1 GLU A 90 19.242 -0.468 -1.796 1.00 0.00 O ATOM 415 OE2 GLU A 90 18.257 1.485 -1.601 1.00 0.00 O ATOM 0 H GLU A 90 16.749 -2.975 0.047 1.00 0.00 H new ATOM 0 HA GLU A 90 14.540 -1.591 -0.843 1.00 0.00 H new ATOM 0 HB2 GLU A 90 17.239 -2.165 -2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 90 16.118 -0.968 -2.764 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.278 0.316 -0.688 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.292 -0.918 0.034 1.00 0.00 H new ATOM 422 N GLU A 91 15.429 -3.974 -2.957 1.00 0.00 N ATOM 423 CA GLU A 91 14.977 -4.823 -4.058 1.00 0.00 C ATOM 424 C GLU A 91 13.562 -5.329 -3.841 1.00 0.00 C ATOM 425 O GLU A 91 12.714 -5.237 -4.729 1.00 0.00 O ATOM 426 CB GLU A 91 15.932 -6.004 -4.245 1.00 0.00 C ATOM 427 CG GLU A 91 17.370 -5.594 -4.527 1.00 0.00 C ATOM 428 CD GLU A 91 17.521 -4.832 -5.830 1.00 0.00 C ATOM 429 OE1 GLU A 91 16.933 -3.738 -5.953 1.00 0.00 O ATOM 430 OE2 GLU A 91 18.230 -5.332 -6.729 1.00 0.00 O ATOM 0 H GLU A 91 16.394 -4.141 -2.672 1.00 0.00 H new ATOM 0 HA GLU A 91 14.975 -4.212 -4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.910 -6.622 -3.348 1.00 0.00 H new ATOM 0 HB3 GLU A 91 15.573 -6.623 -5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.734 -4.976 -3.706 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.997 -6.485 -4.558 1.00 0.00 H new ATOM 437 N LYS A 92 13.308 -5.839 -2.655 1.00 0.00 N ATOM 438 CA LYS A 92 11.990 -6.337 -2.313 1.00 0.00 C ATOM 439 C LYS A 92 11.024 -5.171 -2.206 1.00 0.00 C ATOM 440 O LYS A 92 9.945 -5.169 -2.795 1.00 0.00 O ATOM 441 CB LYS A 92 12.036 -7.076 -1.008 1.00 0.00 C ATOM 442 CG LYS A 92 11.075 -8.224 -0.996 1.00 0.00 C ATOM 443 CD LYS A 92 11.584 -9.403 -1.814 1.00 0.00 C ATOM 444 CE LYS A 92 12.873 -9.974 -1.247 1.00 0.00 C ATOM 445 NZ LYS A 92 13.363 -11.131 -2.046 1.00 0.00 N ATOM 0 H LYS A 92 13.998 -5.920 -1.908 1.00 0.00 H new ATOM 0 HA LYS A 92 11.655 -7.022 -3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.047 -7.444 -0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.799 -6.393 -0.193 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.904 -8.543 0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 92 10.114 -7.896 -1.392 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.822 -10.182 -1.840 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.750 -9.086 -2.843 1.00 0.00 H new ATOM 0 HE2 LYS A 92 13.637 -9.197 -1.226 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.709 -10.287 -0.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 14.244 -11.493 -1.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.644 -11.883 -2.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 13.543 -10.826 -3.024 1.00 0.00 H new ATOM 459 N LEU A 93 11.456 -4.179 -1.448 1.00 0.00 N ATOM 460 CA LEU A 93 10.697 -2.959 -1.223 1.00 0.00 C ATOM 461 C LEU A 93 10.332 -2.267 -2.530 1.00 0.00 C ATOM 462 O LEU A 93 9.433 -1.428 -2.565 1.00 0.00 O ATOM 463 CB LEU A 93 11.526 -2.015 -0.354 1.00 0.00 C ATOM 464 CG LEU A 93 11.305 -2.149 1.151 1.00 0.00 C ATOM 465 CD1 LEU A 93 11.239 -3.615 1.557 1.00 0.00 C ATOM 466 CD2 LEU A 93 12.393 -1.412 1.913 1.00 0.00 C ATOM 0 H LEU A 93 12.354 -4.197 -0.965 1.00 0.00 H new ATOM 0 HA LEU A 93 9.766 -3.223 -0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 93 12.581 -2.186 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.304 -0.989 -0.647 1.00 0.00 H new ATOM 0 HG LEU A 93 10.348 -1.693 1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.081 -3.688 2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.414 -4.100 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.175 -4.108 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.222 -1.517 2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.365 -1.834 1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.374 -0.356 1.644 1.00 0.00 H new ATOM 478 N ARG A 94 11.042 -2.602 -3.600 1.00 0.00 N ATOM 479 CA ARG A 94 10.790 -1.986 -4.895 1.00 0.00 C ATOM 480 C ARG A 94 9.563 -2.593 -5.583 1.00 0.00 C ATOM 481 O ARG A 94 8.751 -1.880 -6.167 1.00 0.00 O ATOM 482 CB ARG A 94 12.012 -2.127 -5.806 1.00 0.00 C ATOM 483 CG ARG A 94 13.223 -1.337 -5.337 1.00 0.00 C ATOM 484 CD ARG A 94 14.394 -1.486 -6.297 1.00 0.00 C ATOM 485 NE ARG A 94 15.557 -0.715 -5.867 1.00 0.00 N ATOM 486 CZ ARG A 94 16.704 -0.673 -6.539 1.00 0.00 C ATOM 487 NH1 ARG A 94 16.841 -1.354 -7.668 1.00 0.00 N ATOM 488 NH2 ARG A 94 17.715 0.054 -6.081 1.00 0.00 N ATOM 0 H ARG A 94 11.792 -3.293 -3.597 1.00 0.00 H new ATOM 0 HA ARG A 94 10.592 -0.929 -4.716 1.00 0.00 H new ATOM 0 HB2 ARG A 94 12.282 -3.181 -5.875 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.744 -1.800 -6.811 1.00 0.00 H new ATOM 0 HG2 ARG A 94 12.958 -0.284 -5.246 1.00 0.00 H new ATOM 0 HG3 ARG A 94 13.519 -1.678 -4.345 1.00 0.00 H new ATOM 0 HD2 ARG A 94 14.666 -2.539 -6.376 1.00 0.00 H new ATOM 0 HD3 ARG A 94 14.091 -1.160 -7.292 1.00 0.00 H new ATOM 0 HE ARG A 94 15.486 -0.178 -5.003 1.00 0.00 H new ATOM 0 HH11 ARG A 94 16.065 -1.913 -8.024 1.00 0.00 H new ATOM 0 HH12 ARG A 94 17.722 -1.319 -8.181 1.00 0.00 H new ATOM 0 HH21 ARG A 94 17.613 0.581 -5.214 1.00 0.00 H new ATOM 0 HH22 ARG A 94 18.595 0.086 -6.596 1.00 0.00 H new ATOM 502 N ARG A 95 9.454 -3.918 -5.532 1.00 0.00 N ATOM 503 CA ARG A 95 8.346 -4.628 -6.175 1.00 0.00 C ATOM 504 C ARG A 95 7.108 -4.738 -5.278 1.00 0.00 C ATOM 505 O ARG A 95 5.981 -4.717 -5.762 1.00 0.00 O ATOM 506 CB ARG A 95 8.806 -6.025 -6.602 1.00 0.00 C ATOM 507 CG ARG A 95 9.470 -6.817 -5.487 1.00 0.00 C ATOM 508 CD ARG A 95 9.954 -8.174 -5.975 1.00 0.00 C ATOM 509 NE ARG A 95 8.859 -9.001 -6.476 1.00 0.00 N ATOM 510 CZ ARG A 95 9.023 -10.232 -6.952 1.00 0.00 C ATOM 511 NH1 ARG A 95 10.232 -10.777 -6.990 1.00 0.00 N ATOM 512 NH2 ARG A 95 7.977 -10.920 -7.388 1.00 0.00 N ATOM 0 H ARG A 95 10.119 -4.524 -5.052 1.00 0.00 H new ATOM 0 HA ARG A 95 8.054 -4.044 -7.048 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.946 -6.584 -6.970 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.504 -5.930 -7.434 1.00 0.00 H new ATOM 0 HG2 ARG A 95 10.313 -6.251 -5.090 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.764 -6.955 -4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 95 10.692 -8.033 -6.765 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.456 -8.694 -5.159 1.00 0.00 H new ATOM 0 HE ARG A 95 7.916 -8.613 -6.460 1.00 0.00 H new ATOM 0 HH11 ARG A 95 11.039 -10.252 -6.654 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.354 -11.721 -7.356 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.046 -10.505 -7.359 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.104 -11.864 -7.753 1.00 0.00 H new ATOM 526 N TYR A 96 7.324 -4.895 -3.980 1.00 0.00 N ATOM 527 CA TYR A 96 6.243 -5.050 -3.023 1.00 0.00 C ATOM 528 C TYR A 96 5.687 -3.735 -2.529 1.00 0.00 C ATOM 529 O TYR A 96 4.501 -3.447 -2.675 1.00 0.00 O ATOM 530 CB TYR A 96 6.771 -5.827 -1.832 1.00 0.00 C ATOM 531 CG TYR A 96 7.024 -7.272 -2.154 1.00 0.00 C ATOM 532 CD1 TYR A 96 5.982 -8.188 -2.185 1.00 0.00 C ATOM 533 CD2 TYR A 96 8.297 -7.711 -2.459 1.00 0.00 C ATOM 534 CE1 TYR A 96 6.210 -9.512 -2.504 1.00 0.00 C ATOM 535 CE2 TYR A 96 8.535 -9.026 -2.785 1.00 0.00 C ATOM 536 CZ TYR A 96 7.490 -9.928 -2.806 1.00 0.00 C ATOM 537 OH TYR A 96 7.726 -11.244 -3.131 1.00 0.00 O ATOM 0 H TYR A 96 8.254 -4.918 -3.563 1.00 0.00 H new ATOM 0 HA TYR A 96 5.431 -5.571 -3.531 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.697 -5.368 -1.484 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.055 -5.761 -1.013 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.979 -7.861 -1.956 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.119 -7.011 -2.441 1.00 0.00 H new ATOM 0 HE1 TYR A 96 5.392 -10.217 -2.517 1.00 0.00 H new ATOM 0 HE2 TYR A 96 9.537 -9.352 -3.024 1.00 0.00 H new ATOM 0 HH TYR A 96 8.680 -11.369 -3.317 1.00 0.00 H new ATOM 547 N LEU A 97 6.542 -2.976 -1.881 1.00 0.00 N ATOM 548 CA LEU A 97 6.144 -1.724 -1.284 1.00 0.00 C ATOM 549 C LEU A 97 5.867 -0.623 -2.295 1.00 0.00 C ATOM 550 O LEU A 97 4.801 -0.008 -2.254 1.00 0.00 O ATOM 551 CB LEU A 97 7.195 -1.313 -0.275 1.00 0.00 C ATOM 552 CG LEU A 97 7.375 -2.321 0.857 1.00 0.00 C ATOM 553 CD1 LEU A 97 8.174 -1.732 2.002 1.00 0.00 C ATOM 554 CD2 LEU A 97 6.020 -2.802 1.339 1.00 0.00 C ATOM 0 H LEU A 97 7.527 -3.209 -1.754 1.00 0.00 H new ATOM 0 HA LEU A 97 5.188 -1.879 -0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.148 -1.179 -0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.923 -0.346 0.149 1.00 0.00 H new ATOM 0 HG LEU A 97 7.938 -3.171 0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.283 -2.477 2.790 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.160 -1.436 1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.655 -0.859 2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.155 -3.521 2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.441 -1.953 1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.489 -3.278 0.515 1.00 0.00 H new ATOM 566 N LYS A 98 6.800 -0.366 -3.204 1.00 0.00 N ATOM 567 CA LYS A 98 6.586 0.675 -4.202 1.00 0.00 C ATOM 568 C LYS A 98 5.235 0.458 -4.869 1.00 0.00 C ATOM 569 O LYS A 98 4.582 1.399 -5.317 1.00 0.00 O ATOM 570 CB LYS A 98 7.703 0.670 -5.248 1.00 0.00 C ATOM 571 CG LYS A 98 7.586 1.793 -6.268 1.00 0.00 C ATOM 572 CD LYS A 98 8.711 1.747 -7.294 1.00 0.00 C ATOM 573 CE LYS A 98 8.643 0.492 -8.149 1.00 0.00 C ATOM 574 NZ LYS A 98 9.731 0.450 -9.164 1.00 0.00 N ATOM 0 H LYS A 98 7.694 -0.852 -3.271 1.00 0.00 H new ATOM 0 HA LYS A 98 6.598 1.647 -3.708 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.665 0.749 -4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.696 -0.287 -5.770 1.00 0.00 H new ATOM 0 HG2 LYS A 98 6.626 1.721 -6.779 1.00 0.00 H new ATOM 0 HG3 LYS A 98 7.603 2.754 -5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.655 2.627 -7.935 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.672 1.786 -6.782 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.710 -0.387 -7.508 1.00 0.00 H new ATOM 0 HE3 LYS A 98 7.677 0.447 -8.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.648 -0.421 -9.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.652 1.275 -9.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.654 0.467 -8.685 1.00 0.00 H new ATOM 588 N ARG A 99 4.833 -0.807 -4.925 1.00 0.00 N ATOM 589 CA ARG A 99 3.573 -1.203 -5.526 1.00 0.00 C ATOM 590 C ARG A 99 2.391 -1.065 -4.581 1.00 0.00 C ATOM 591 O ARG A 99 1.348 -0.550 -4.977 1.00 0.00 O ATOM 592 CB ARG A 99 3.684 -2.635 -6.040 1.00 0.00 C ATOM 593 CG ARG A 99 4.607 -2.779 -7.239 1.00 0.00 C ATOM 594 CD ARG A 99 4.207 -1.845 -8.367 1.00 0.00 C ATOM 595 NE ARG A 99 4.967 -2.104 -9.588 1.00 0.00 N ATOM 596 CZ ARG A 99 4.792 -1.433 -10.723 1.00 0.00 C ATOM 597 NH1 ARG A 99 3.881 -0.471 -10.797 1.00 0.00 N ATOM 598 NH2 ARG A 99 5.528 -1.726 -11.787 1.00 0.00 N ATOM 0 H ARG A 99 5.376 -1.586 -4.553 1.00 0.00 H new ATOM 0 HA ARG A 99 3.380 -0.522 -6.354 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.045 -3.275 -5.235 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.691 -2.993 -6.311 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.633 -2.567 -6.937 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.585 -3.809 -7.594 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.142 -1.959 -8.572 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.363 -0.812 -8.055 1.00 0.00 H new ATOM 0 HE ARG A 99 5.672 -2.841 -9.569 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.312 -0.244 -9.982 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.750 0.041 -11.669 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.228 -2.466 -11.735 1.00 0.00 H new ATOM 0 HH22 ARG A 99 5.394 -1.211 -12.657 1.00 0.00 H new ATOM 612 N THR A 100 2.527 -1.534 -3.347 1.00 0.00 N ATOM 613 CA THR A 100 1.415 -1.455 -2.411 1.00 0.00 C ATOM 614 C THR A 100 0.973 -0.024 -2.142 1.00 0.00 C ATOM 615 O THR A 100 -0.134 0.198 -1.659 1.00 0.00 O ATOM 616 CB THR A 100 1.680 -2.177 -1.082 1.00 0.00 C ATOM 617 OG1 THR A 100 0.598 -1.937 -0.178 1.00 0.00 O ATOM 618 CG2 THR A 100 2.965 -1.712 -0.449 1.00 0.00 C ATOM 0 H THR A 100 3.375 -1.963 -2.978 1.00 0.00 H new ATOM 0 HA THR A 100 0.602 -1.979 -2.914 1.00 0.00 H new ATOM 0 HB THR A 100 1.765 -3.243 -1.292 1.00 0.00 H new ATOM 0 HG1 THR A 100 0.039 -1.210 -0.523 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.121 -2.243 0.490 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.797 -1.914 -1.124 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.908 -0.641 -0.254 1.00 0.00 H new ATOM 626 N VAL A 101 1.818 0.949 -2.462 1.00 0.00 N ATOM 627 CA VAL A 101 1.463 2.346 -2.260 1.00 0.00 C ATOM 628 C VAL A 101 0.356 2.743 -3.213 1.00 0.00 C ATOM 629 O VAL A 101 -0.665 3.293 -2.809 1.00 0.00 O ATOM 630 CB VAL A 101 2.679 3.244 -2.474 1.00 0.00 C ATOM 631 CG1 VAL A 101 2.275 4.677 -2.760 1.00 0.00 C ATOM 632 CG2 VAL A 101 3.585 3.160 -1.269 1.00 0.00 C ATOM 0 H VAL A 101 2.745 0.797 -2.859 1.00 0.00 H new ATOM 0 HA VAL A 101 1.114 2.469 -1.235 1.00 0.00 H new ATOM 0 HB VAL A 101 3.221 2.891 -3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.168 5.285 -2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.662 4.709 -3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.704 5.069 -1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.453 3.801 -1.421 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.043 3.488 -0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.914 2.130 -1.132 1.00 0.00 H new ATOM 642 N THR A 102 0.548 2.427 -4.478 1.00 0.00 N ATOM 643 CA THR A 102 -0.452 2.707 -5.476 1.00 0.00 C ATOM 644 C THR A 102 -1.590 1.719 -5.286 1.00 0.00 C ATOM 645 O THR A 102 -2.758 2.042 -5.491 1.00 0.00 O ATOM 646 CB THR A 102 0.136 2.570 -6.883 1.00 0.00 C ATOM 647 OG1 THR A 102 1.115 3.590 -7.111 1.00 0.00 O ATOM 648 CG2 THR A 102 -0.947 2.647 -7.944 1.00 0.00 C ATOM 0 H THR A 102 1.390 1.976 -4.835 1.00 0.00 H new ATOM 0 HA THR A 102 -0.812 3.730 -5.365 1.00 0.00 H new ATOM 0 HB THR A 102 0.611 1.591 -6.953 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.486 3.492 -8.013 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.497 2.546 -8.932 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.666 1.842 -7.789 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.457 3.608 -7.874 1.00 0.00 H new ATOM 656 N GLU A 103 -1.221 0.512 -4.853 1.00 0.00 N ATOM 657 CA GLU A 103 -2.156 -0.539 -4.579 1.00 0.00 C ATOM 658 C GLU A 103 -3.099 -0.088 -3.476 1.00 0.00 C ATOM 659 O GLU A 103 -4.304 -0.324 -3.542 1.00 0.00 O ATOM 660 CB GLU A 103 -1.382 -1.801 -4.186 1.00 0.00 C ATOM 661 CG GLU A 103 -0.722 -2.499 -5.363 1.00 0.00 C ATOM 662 CD GLU A 103 -1.720 -3.005 -6.388 1.00 0.00 C ATOM 663 OE1 GLU A 103 -2.434 -2.173 -6.986 1.00 0.00 O ATOM 664 OE2 GLU A 103 -1.787 -4.235 -6.593 1.00 0.00 O ATOM 0 H GLU A 103 -0.249 0.251 -4.686 1.00 0.00 H new ATOM 0 HA GLU A 103 -2.754 -0.769 -5.461 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.617 -1.536 -3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.063 -2.497 -3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.031 -1.809 -5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.130 -3.337 -4.996 1.00 0.00 H new ATOM 671 N LEU A 104 -2.545 0.606 -2.478 1.00 0.00 N ATOM 672 CA LEU A 104 -3.355 1.131 -1.395 1.00 0.00 C ATOM 673 C LEU A 104 -4.106 2.335 -1.925 1.00 0.00 C ATOM 674 O LEU A 104 -5.259 2.574 -1.578 1.00 0.00 O ATOM 675 CB LEU A 104 -2.497 1.481 -0.159 1.00 0.00 C ATOM 676 CG LEU A 104 -1.717 2.800 -0.173 1.00 0.00 C ATOM 677 CD1 LEU A 104 -2.638 3.995 -0.018 1.00 0.00 C ATOM 678 CD2 LEU A 104 -0.705 2.800 0.949 1.00 0.00 C ATOM 0 H LEU A 104 -1.549 0.812 -2.404 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.063 0.375 -1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.154 1.491 0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.782 0.672 -0.009 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.213 2.882 -1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.049 4.912 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.355 4.011 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.173 3.922 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.150 3.738 0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.220 2.693 1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.013 1.968 0.815 1.00 0.00 H new ATOM 690 N ASP A 105 -3.434 3.066 -2.810 1.00 0.00 N ATOM 691 CA ASP A 105 -4.012 4.232 -3.455 1.00 0.00 C ATOM 692 C ASP A 105 -5.098 3.783 -4.418 1.00 0.00 C ATOM 693 O ASP A 105 -5.884 4.584 -4.913 1.00 0.00 O ATOM 694 CB ASP A 105 -2.941 4.996 -4.228 1.00 0.00 C ATOM 695 CG ASP A 105 -3.452 6.318 -4.773 1.00 0.00 C ATOM 696 OD1 ASP A 105 -4.611 6.675 -4.478 1.00 0.00 O ATOM 697 OD2 ASP A 105 -2.691 6.998 -5.491 1.00 0.00 O ATOM 0 H ASP A 105 -2.476 2.864 -3.097 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.434 4.887 -2.692 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -2.088 5.181 -3.575 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.583 4.380 -5.053 1.00 0.00 H new ATOM 702 N SER A 106 -5.109 2.484 -4.678 1.00 0.00 N ATOM 703 CA SER A 106 -6.070 1.877 -5.585 1.00 0.00 C ATOM 704 C SER A 106 -7.315 1.453 -4.834 1.00 0.00 C ATOM 705 O SER A 106 -8.423 1.886 -5.141 1.00 0.00 O ATOM 706 CB SER A 106 -5.433 0.679 -6.294 1.00 0.00 C ATOM 707 OG SER A 106 -4.477 1.102 -7.250 1.00 0.00 O ATOM 0 H SER A 106 -4.452 1.822 -4.266 1.00 0.00 H new ATOM 0 HA SER A 106 -6.361 2.613 -6.334 1.00 0.00 H new ATOM 0 HB2 SER A 106 -4.955 0.030 -5.560 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.207 0.089 -6.785 1.00 0.00 H new ATOM 0 HG SER A 106 -3.633 1.312 -6.798 1.00 0.00 H new ATOM 713 N VAL A 107 -7.114 0.621 -3.831 1.00 0.00 N ATOM 714 CA VAL A 107 -8.199 0.142 -3.005 1.00 0.00 C ATOM 715 C VAL A 107 -8.910 1.316 -2.365 1.00 0.00 C ATOM 716 O VAL A 107 -10.137 1.385 -2.330 1.00 0.00 O ATOM 717 CB VAL A 107 -7.646 -0.777 -1.914 1.00 0.00 C ATOM 718 CG1 VAL A 107 -8.760 -1.389 -1.100 1.00 0.00 C ATOM 719 CG2 VAL A 107 -6.774 -1.843 -2.540 1.00 0.00 C ATOM 0 H VAL A 107 -6.197 0.261 -3.568 1.00 0.00 H new ATOM 0 HA VAL A 107 -8.904 -0.413 -3.624 1.00 0.00 H new ATOM 0 HB VAL A 107 -7.038 -0.185 -1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -8.336 -2.037 -0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -9.341 -0.598 -0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -9.408 -1.975 -1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -6.382 -2.496 -1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -7.365 -2.431 -3.242 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.946 -1.371 -3.069 1.00 0.00 H new ATOM 729 N THR A 108 -8.106 2.240 -1.874 1.00 0.00 N ATOM 730 CA THR A 108 -8.600 3.449 -1.234 1.00 0.00 C ATOM 731 C THR A 108 -9.380 4.288 -2.211 1.00 0.00 C ATOM 732 O THR A 108 -10.324 4.995 -1.858 1.00 0.00 O ATOM 733 CB THR A 108 -7.419 4.272 -0.699 1.00 0.00 C ATOM 734 OG1 THR A 108 -7.837 5.099 0.392 1.00 0.00 O ATOM 735 CG2 THR A 108 -6.819 5.140 -1.794 1.00 0.00 C ATOM 0 H THR A 108 -7.089 2.175 -1.907 1.00 0.00 H new ATOM 0 HA THR A 108 -9.255 3.159 -0.413 1.00 0.00 H new ATOM 0 HB THR A 108 -6.659 3.573 -0.350 1.00 0.00 H new ATOM 0 HG1 THR A 108 -7.073 5.616 0.722 1.00 0.00 H new ATOM 0 HG21 THR A 108 -5.985 5.712 -1.388 1.00 0.00 H new ATOM 0 HG22 THR A 108 -6.463 4.507 -2.607 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.578 5.824 -2.173 1.00 0.00 H new ATOM 743 N ALA A 109 -8.933 4.218 -3.434 1.00 0.00 N ATOM 744 CA ALA A 109 -9.504 4.969 -4.512 1.00 0.00 C ATOM 745 C ALA A 109 -10.910 4.510 -4.874 1.00 0.00 C ATOM 746 O ALA A 109 -11.775 5.327 -5.183 1.00 0.00 O ATOM 747 CB ALA A 109 -8.565 4.849 -5.683 1.00 0.00 C ATOM 0 H ALA A 109 -8.149 3.627 -3.712 1.00 0.00 H new ATOM 0 HA ALA A 109 -9.618 6.010 -4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -8.964 5.409 -6.529 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.589 5.251 -5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -8.460 3.800 -5.960 1.00 0.00 H new ATOM 753 N ARG A 110 -11.136 3.206 -4.848 1.00 0.00 N ATOM 754 CA ARG A 110 -12.432 2.661 -5.181 1.00 0.00 C ATOM 755 C ARG A 110 -13.317 2.559 -3.950 1.00 0.00 C ATOM 756 O ARG A 110 -14.536 2.658 -4.036 1.00 0.00 O ATOM 757 CB ARG A 110 -12.286 1.293 -5.853 1.00 0.00 C ATOM 758 CG ARG A 110 -11.706 1.357 -7.261 1.00 0.00 C ATOM 759 CD ARG A 110 -10.298 1.936 -7.274 1.00 0.00 C ATOM 760 NE ARG A 110 -9.753 2.023 -8.629 1.00 0.00 N ATOM 761 CZ ARG A 110 -9.528 0.966 -9.406 1.00 0.00 C ATOM 762 NH1 ARG A 110 -9.780 -0.258 -8.960 1.00 0.00 N ATOM 763 NH2 ARG A 110 -9.048 1.133 -10.630 1.00 0.00 N ATOM 0 H ARG A 110 -10.434 2.509 -4.599 1.00 0.00 H new ATOM 0 HA ARG A 110 -12.911 3.343 -5.884 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -11.647 0.662 -5.235 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -13.264 0.813 -5.895 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -11.690 0.356 -7.692 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -12.354 1.965 -7.892 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -10.310 2.929 -6.824 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -9.645 1.316 -6.660 1.00 0.00 H new ATOM 0 HE ARG A 110 -9.533 2.947 -9.000 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -10.148 -0.392 -8.018 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.606 -1.065 -9.559 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -8.851 2.072 -10.977 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.876 0.323 -11.225 1.00 0.00 H new ATOM 777 N LEU A 111 -12.674 2.360 -2.815 1.00 0.00 N ATOM 778 CA LEU A 111 -13.353 2.227 -1.525 1.00 0.00 C ATOM 779 C LEU A 111 -14.339 3.365 -1.292 1.00 0.00 C ATOM 780 O LEU A 111 -15.391 3.180 -0.680 1.00 0.00 O ATOM 781 CB LEU A 111 -12.313 2.204 -0.401 1.00 0.00 C ATOM 782 CG LEU A 111 -12.858 1.992 1.006 1.00 0.00 C ATOM 783 CD1 LEU A 111 -13.582 0.666 1.083 1.00 0.00 C ATOM 784 CD2 LEU A 111 -11.731 2.039 2.027 1.00 0.00 C ATOM 0 H LEU A 111 -11.659 2.284 -2.754 1.00 0.00 H new ATOM 0 HA LEU A 111 -13.916 1.293 -1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.594 1.413 -0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.766 3.146 -0.420 1.00 0.00 H new ATOM 0 HG LEU A 111 -13.561 2.793 1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -13.969 0.521 2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -14.409 0.661 0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -12.890 -0.141 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -12.139 1.886 3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.007 1.255 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.239 3.010 1.981 1.00 0.00 H new ATOM 796 N ARG A 112 -13.977 4.540 -1.776 1.00 0.00 N ATOM 797 CA ARG A 112 -14.795 5.728 -1.626 1.00 0.00 C ATOM 798 C ARG A 112 -16.140 5.573 -2.332 1.00 0.00 C ATOM 799 O ARG A 112 -17.157 6.093 -1.875 1.00 0.00 O ATOM 800 CB ARG A 112 -14.053 6.945 -2.178 1.00 0.00 C ATOM 801 CG ARG A 112 -13.657 6.802 -3.635 1.00 0.00 C ATOM 802 CD ARG A 112 -13.168 8.122 -4.207 1.00 0.00 C ATOM 803 NE ARG A 112 -12.818 8.014 -5.621 1.00 0.00 N ATOM 804 CZ ARG A 112 -12.337 9.025 -6.339 1.00 0.00 C ATOM 805 NH1 ARG A 112 -12.142 10.209 -5.775 1.00 0.00 N ATOM 806 NH2 ARG A 112 -12.048 8.850 -7.622 1.00 0.00 N ATOM 0 H ARG A 112 -13.107 4.696 -2.284 1.00 0.00 H new ATOM 0 HA ARG A 112 -14.988 5.871 -0.563 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -14.684 7.827 -2.066 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -13.157 7.116 -1.581 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -12.873 6.050 -3.729 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -14.510 6.447 -4.213 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -13.942 8.879 -4.083 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -12.298 8.460 -3.644 1.00 0.00 H new ATOM 0 HE ARG A 112 -12.950 7.114 -6.083 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -12.361 10.346 -4.788 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -11.773 10.983 -6.328 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -12.195 7.940 -8.058 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -11.679 9.626 -8.172 1.00 0.00 H new ATOM 820 N GLU A 113 -16.134 4.856 -3.447 1.00 0.00 N ATOM 821 CA GLU A 113 -17.329 4.623 -4.219 1.00 0.00 C ATOM 822 C GLU A 113 -18.004 3.346 -3.771 1.00 0.00 C ATOM 823 O GLU A 113 -19.226 3.212 -3.832 1.00 0.00 O ATOM 824 CB GLU A 113 -16.996 4.540 -5.706 1.00 0.00 C ATOM 825 CG GLU A 113 -18.194 4.169 -6.553 1.00 0.00 C ATOM 826 CD GLU A 113 -17.898 4.204 -8.040 1.00 0.00 C ATOM 827 OE1 GLU A 113 -17.003 3.455 -8.485 1.00 0.00 O ATOM 828 OE2 GLU A 113 -18.562 4.980 -8.759 1.00 0.00 O ATOM 0 H GLU A 113 -15.296 4.423 -3.835 1.00 0.00 H new ATOM 0 HA GLU A 113 -18.010 5.459 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -16.603 5.500 -6.040 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -16.207 3.803 -5.857 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -18.532 3.170 -6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -19.013 4.854 -6.334 1.00 0.00 H new ATOM 835 N VAL A 114 -17.186 2.402 -3.338 1.00 0.00 N ATOM 836 CA VAL A 114 -17.677 1.114 -2.895 1.00 0.00 C ATOM 837 C VAL A 114 -18.692 1.272 -1.775 1.00 0.00 C ATOM 838 O VAL A 114 -19.732 0.617 -1.763 1.00 0.00 O ATOM 839 CB VAL A 114 -16.531 0.215 -2.412 1.00 0.00 C ATOM 840 CG1 VAL A 114 -17.052 -1.157 -2.052 1.00 0.00 C ATOM 841 CG2 VAL A 114 -15.460 0.110 -3.473 1.00 0.00 C ATOM 0 H VAL A 114 -16.173 2.507 -3.285 1.00 0.00 H new ATOM 0 HA VAL A 114 -18.158 0.645 -3.753 1.00 0.00 H new ATOM 0 HB VAL A 114 -16.093 0.663 -1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -16.226 -1.782 -1.711 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -17.792 -1.068 -1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -17.514 -1.612 -2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -14.654 -0.531 -3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -15.887 -0.317 -4.380 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -15.065 1.102 -3.690 1.00 0.00 H new ATOM 851 N GLU A 115 -18.379 2.149 -0.835 1.00 0.00 N ATOM 852 CA GLU A 115 -19.259 2.406 0.292 1.00 0.00 C ATOM 853 C GLU A 115 -20.606 2.882 -0.191 1.00 0.00 C ATOM 854 O GLU A 115 -21.664 2.443 0.259 1.00 0.00 O ATOM 855 CB GLU A 115 -18.651 3.459 1.202 1.00 0.00 C ATOM 856 CG GLU A 115 -17.932 4.546 0.448 1.00 0.00 C ATOM 857 CD GLU A 115 -17.196 5.506 1.363 1.00 0.00 C ATOM 858 OE1 GLU A 115 -16.302 5.050 2.106 1.00 0.00 O ATOM 859 OE2 GLU A 115 -17.516 6.712 1.338 1.00 0.00 O ATOM 0 H GLU A 115 -17.518 2.697 -0.831 1.00 0.00 H new ATOM 0 HA GLU A 115 -19.385 1.476 0.847 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -19.439 3.906 1.808 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -17.954 2.979 1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -17.222 4.094 -0.244 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -18.651 5.103 -0.153 1.00 0.00 H new ATOM 866 N HIS A 116 -20.515 3.807 -1.110 1.00 0.00 N ATOM 867 CA HIS A 116 -21.665 4.444 -1.724 1.00 0.00 C ATOM 868 C HIS A 116 -22.595 3.439 -2.404 1.00 0.00 C ATOM 869 O HIS A 116 -23.752 3.294 -2.010 1.00 0.00 O ATOM 870 CB HIS A 116 -21.154 5.467 -2.725 1.00 0.00 C ATOM 871 CG HIS A 116 -22.207 6.393 -3.239 1.00 0.00 C ATOM 872 ND1 HIS A 116 -22.958 7.215 -2.426 1.00 0.00 N ATOM 873 CD2 HIS A 116 -22.633 6.621 -4.498 1.00 0.00 C ATOM 874 CE1 HIS A 116 -23.804 7.910 -3.167 1.00 0.00 C ATOM 875 NE2 HIS A 116 -23.626 7.568 -4.430 1.00 0.00 N ATOM 0 H HIS A 116 -19.623 4.151 -1.465 1.00 0.00 H new ATOM 0 HA HIS A 116 -22.259 4.927 -0.948 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -20.365 6.055 -2.257 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -20.704 4.942 -3.567 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -22.262 6.147 -5.394 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -24.518 8.633 -2.802 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -24.142 7.945 -5.225 1.00 0.00 H new ATOM 884 N ARG A 117 -22.094 2.757 -3.432 1.00 0.00 N ATOM 885 CA ARG A 117 -22.900 1.780 -4.165 1.00 0.00 C ATOM 886 C ARG A 117 -22.048 0.623 -4.689 1.00 0.00 C ATOM 887 O ARG A 117 -22.125 0.270 -5.867 1.00 0.00 O ATOM 888 CB ARG A 117 -23.609 2.459 -5.339 1.00 0.00 C ATOM 889 CG ARG A 117 -24.440 3.662 -4.930 1.00 0.00 C ATOM 890 CD ARG A 117 -25.109 4.314 -6.130 1.00 0.00 C ATOM 891 NE ARG A 117 -25.948 5.446 -5.743 1.00 0.00 N ATOM 892 CZ ARG A 117 -26.642 6.179 -6.609 1.00 0.00 C ATOM 893 NH1 ARG A 117 -26.596 5.904 -7.905 1.00 0.00 N ATOM 894 NH2 ARG A 117 -27.386 7.190 -6.178 1.00 0.00 N ATOM 0 H ARG A 117 -21.139 2.861 -3.776 1.00 0.00 H new ATOM 0 HA ARG A 117 -23.636 1.375 -3.470 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -22.864 2.773 -6.070 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -24.254 1.733 -5.833 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -25.200 3.353 -4.212 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -23.804 4.390 -4.427 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -24.346 4.652 -6.831 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -25.716 3.575 -6.652 1.00 0.00 H new ATOM 0 HE ARG A 117 -26.005 5.687 -4.754 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -26.027 5.128 -8.242 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -27.130 6.469 -8.565 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -27.426 7.405 -5.182 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -27.918 7.752 -6.843 1.00 0.00 H new ATOM 908 N ALA A 118 -21.245 0.029 -3.809 1.00 0.00 N ATOM 909 CA ALA A 118 -20.388 -1.093 -4.187 1.00 0.00 C ATOM 910 C ALA A 118 -19.538 -0.748 -5.410 1.00 0.00 C ATOM 911 O ALA A 118 -19.034 0.369 -5.529 1.00 0.00 O ATOM 912 CB ALA A 118 -21.238 -2.328 -4.454 1.00 0.00 C ATOM 0 H ALA A 118 -21.170 0.305 -2.830 1.00 0.00 H new ATOM 0 HA ALA A 118 -19.709 -1.303 -3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -20.593 -3.160 -4.735 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -21.794 -2.588 -3.554 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -21.936 -2.121 -5.265 1.00 0.00 H new ATOM 918 N GLY A 119 -19.384 -1.709 -6.318 1.00 0.00 N ATOM 919 CA GLY A 119 -18.595 -1.481 -7.515 1.00 0.00 C ATOM 920 C GLY A 119 -19.180 -0.398 -8.402 1.00 0.00 C ATOM 921 O GLY A 119 -18.454 0.463 -8.899 1.00 0.00 O ATOM 0 H GLY A 119 -19.792 -2.641 -6.245 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -17.580 -1.203 -7.229 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -18.524 -2.410 -8.081 1.00 0.00 H new ATOM 925 N GLU A 120 -20.494 -0.444 -8.603 1.00 0.00 N ATOM 926 CA GLU A 120 -21.175 0.540 -9.438 1.00 0.00 C ATOM 927 C GLU A 120 -20.984 1.949 -8.888 1.00 0.00 C ATOM 928 O GLU A 120 -20.572 2.836 -9.666 1.00 0.00 O ATOM 929 CB GLU A 120 -22.668 0.215 -9.532 1.00 0.00 C ATOM 930 CG GLU A 120 -22.955 -1.169 -10.093 1.00 0.00 C ATOM 931 CD GLU A 120 -24.439 -1.457 -10.198 1.00 0.00 C ATOM 932 OE1 GLU A 120 -25.131 -0.748 -10.957 1.00 0.00 O ATOM 933 OE2 GLU A 120 -24.912 -2.392 -9.517 1.00 0.00 O ATOM 934 OXT GLU A 120 -21.249 2.155 -7.685 1.00 0.00 O ATOM 0 H GLU A 120 -21.108 -1.152 -8.199 1.00 0.00 H new ATOM 0 HA GLU A 120 -20.737 0.497 -10.435 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -23.112 0.295 -8.540 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -23.155 0.961 -10.160 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -22.500 -1.259 -11.079 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -22.487 -1.920 -9.456 1.00 0.00 H new TER 941 GLU A 120 ATOM 942 N ALA B 61 9.788 6.434 -13.476 1.00 0.00 N ATOM 943 CA ALA B 61 8.927 7.379 -12.718 1.00 0.00 C ATOM 944 C ALA B 61 9.530 7.695 -11.354 1.00 0.00 C ATOM 945 O ALA B 61 10.004 6.802 -10.652 1.00 0.00 O ATOM 946 CB ALA B 61 7.528 6.805 -12.557 1.00 0.00 C ATOM 0 HA ALA B 61 8.864 8.309 -13.284 1.00 0.00 H new ATOM 0 HB1 ALA B 61 6.908 7.508 -12.000 1.00 0.00 H new ATOM 0 HB2 ALA B 61 7.089 6.635 -13.540 1.00 0.00 H new ATOM 0 HB3 ALA B 61 7.582 5.861 -12.015 1.00 0.00 H new ATOM 954 N SER B 62 9.507 8.973 -10.986 1.00 0.00 N ATOM 955 CA SER B 62 10.051 9.409 -9.705 1.00 0.00 C ATOM 956 C SER B 62 9.318 8.743 -8.546 1.00 0.00 C ATOM 957 O SER B 62 8.088 8.676 -8.532 1.00 0.00 O ATOM 958 CB SER B 62 9.955 10.930 -9.577 1.00 0.00 C ATOM 959 OG SER B 62 10.679 11.577 -10.609 1.00 0.00 O ATOM 0 H SER B 62 9.118 9.724 -11.557 1.00 0.00 H new ATOM 0 HA SER B 62 11.099 9.113 -9.666 1.00 0.00 H new ATOM 0 HB2 SER B 62 8.909 11.236 -9.616 1.00 0.00 H new ATOM 0 HB3 SER B 62 10.342 11.241 -8.607 1.00 0.00 H new ATOM 0 HG SER B 62 10.600 12.548 -10.505 1.00 0.00 H new ATOM 965 N ASP B 63 10.083 8.256 -7.574 1.00 0.00 N ATOM 966 CA ASP B 63 9.509 7.599 -6.407 1.00 0.00 C ATOM 967 C ASP B 63 8.647 8.570 -5.608 1.00 0.00 C ATOM 968 O ASP B 63 7.623 8.186 -5.042 1.00 0.00 O ATOM 969 CB ASP B 63 10.619 7.033 -5.518 1.00 0.00 C ATOM 970 CG ASP B 63 11.474 6.013 -6.243 1.00 0.00 C ATOM 971 OD1 ASP B 63 10.923 4.988 -6.694 1.00 0.00 O ATOM 972 OD2 ASP B 63 12.698 6.240 -6.360 1.00 0.00 O ATOM 0 H ASP B 63 11.102 8.304 -7.572 1.00 0.00 H new ATOM 0 HA ASP B 63 8.878 6.781 -6.753 1.00 0.00 H new ATOM 0 HB2 ASP B 63 11.251 7.849 -5.166 1.00 0.00 H new ATOM 0 HB3 ASP B 63 10.175 6.571 -4.637 1.00 0.00 H new ATOM 977 N ASP B 64 9.071 9.829 -5.566 1.00 0.00 N ATOM 978 CA ASP B 64 8.346 10.865 -4.837 1.00 0.00 C ATOM 979 C ASP B 64 6.886 10.921 -5.276 1.00 0.00 C ATOM 980 O ASP B 64 6.001 11.197 -4.471 1.00 0.00 O ATOM 981 CB ASP B 64 9.007 12.228 -5.049 1.00 0.00 C ATOM 982 CG ASP B 64 8.366 13.326 -4.219 1.00 0.00 C ATOM 983 OD1 ASP B 64 7.452 13.019 -3.425 1.00 0.00 O ATOM 984 OD2 ASP B 64 8.784 14.495 -4.359 1.00 0.00 O ATOM 0 H ASP B 64 9.917 10.158 -6.031 1.00 0.00 H new ATOM 0 HA ASP B 64 8.378 10.615 -3.776 1.00 0.00 H new ATOM 0 HB2 ASP B 64 10.065 12.157 -4.796 1.00 0.00 H new ATOM 0 HB3 ASP B 64 8.949 12.495 -6.104 1.00 0.00 H new ATOM 989 N GLU B 65 6.639 10.662 -6.555 1.00 0.00 N ATOM 990 CA GLU B 65 5.282 10.688 -7.089 1.00 0.00 C ATOM 991 C GLU B 65 4.379 9.724 -6.322 1.00 0.00 C ATOM 992 O GLU B 65 3.236 10.050 -6.000 1.00 0.00 O ATOM 993 CB GLU B 65 5.286 10.328 -8.575 1.00 0.00 C ATOM 994 CG GLU B 65 3.905 10.349 -9.211 1.00 0.00 C ATOM 995 CD GLU B 65 3.936 9.998 -10.686 1.00 0.00 C ATOM 996 OE1 GLU B 65 4.605 10.720 -11.454 1.00 0.00 O ATOM 997 OE2 GLU B 65 3.292 9.000 -11.072 1.00 0.00 O ATOM 0 H GLU B 65 7.359 10.432 -7.240 1.00 0.00 H new ATOM 0 HA GLU B 65 4.891 11.699 -6.971 1.00 0.00 H new ATOM 0 HB2 GLU B 65 5.932 11.026 -9.107 1.00 0.00 H new ATOM 0 HB3 GLU B 65 5.718 9.335 -8.698 1.00 0.00 H new ATOM 0 HG2 GLU B 65 3.257 9.646 -8.688 1.00 0.00 H new ATOM 0 HG3 GLU B 65 3.467 11.339 -9.086 1.00 0.00 H new ATOM 1004 N LEU B 66 4.901 8.536 -6.034 1.00 0.00 N ATOM 1005 CA LEU B 66 4.146 7.520 -5.306 1.00 0.00 C ATOM 1006 C LEU B 66 4.067 7.854 -3.818 1.00 0.00 C ATOM 1007 O LEU B 66 2.999 7.788 -3.211 1.00 0.00 O ATOM 1008 CB LEU B 66 4.786 6.138 -5.491 1.00 0.00 C ATOM 1009 CG LEU B 66 4.831 5.612 -6.931 1.00 0.00 C ATOM 1010 CD1 LEU B 66 3.444 5.627 -7.555 1.00 0.00 C ATOM 1011 CD2 LEU B 66 5.811 6.416 -7.773 1.00 0.00 C ATOM 0 H LEU B 66 5.846 8.252 -6.294 1.00 0.00 H new ATOM 0 HA LEU B 66 3.135 7.504 -5.713 1.00 0.00 H new ATOM 0 HB2 LEU B 66 5.805 6.176 -5.106 1.00 0.00 H new ATOM 0 HB3 LEU B 66 4.240 5.420 -4.879 1.00 0.00 H new ATOM 0 HG LEU B 66 5.179 4.580 -6.902 1.00 0.00 H new ATOM 0 HD11 LEU B 66 3.500 5.250 -8.576 1.00 0.00 H new ATOM 0 HD12 LEU B 66 2.775 4.995 -6.971 1.00 0.00 H new ATOM 0 HD13 LEU B 66 3.061 6.647 -7.566 1.00 0.00 H new ATOM 0 HD21 LEU B 66 5.825 6.023 -8.790 1.00 0.00 H new ATOM 0 HD22 LEU B 66 5.502 7.461 -7.792 1.00 0.00 H new ATOM 0 HD23 LEU B 66 6.809 6.340 -7.341 1.00 0.00 H new ATOM 1023 N PHE B 67 5.211 8.201 -3.239 1.00 0.00 N ATOM 1024 CA PHE B 67 5.289 8.538 -1.821 1.00 0.00 C ATOM 1025 C PHE B 67 4.428 9.752 -1.489 1.00 0.00 C ATOM 1026 O PHE B 67 3.820 9.818 -0.419 1.00 0.00 O ATOM 1027 CB PHE B 67 6.745 8.796 -1.427 1.00 0.00 C ATOM 1028 CG PHE B 67 7.642 7.605 -1.633 1.00 0.00 C ATOM 1029 CD1 PHE B 67 7.165 6.317 -1.440 1.00 0.00 C ATOM 1030 CD2 PHE B 67 8.960 7.775 -2.025 1.00 0.00 C ATOM 1031 CE1 PHE B 67 7.988 5.222 -1.632 1.00 0.00 C ATOM 1032 CE2 PHE B 67 9.786 6.683 -2.218 1.00 0.00 C ATOM 1033 CZ PHE B 67 9.299 5.406 -2.021 1.00 0.00 C ATOM 0 H PHE B 67 6.102 8.257 -3.732 1.00 0.00 H new ATOM 0 HA PHE B 67 4.905 7.693 -1.249 1.00 0.00 H new ATOM 0 HB2 PHE B 67 7.128 9.634 -2.009 1.00 0.00 H new ATOM 0 HB3 PHE B 67 6.783 9.092 -0.379 1.00 0.00 H new ATOM 0 HD1 PHE B 67 6.139 6.167 -1.136 1.00 0.00 H new ATOM 0 HD2 PHE B 67 9.346 8.771 -2.182 1.00 0.00 H new ATOM 0 HE1 PHE B 67 7.605 4.224 -1.478 1.00 0.00 H new ATOM 0 HE2 PHE B 67 10.812 6.829 -2.523 1.00 0.00 H new ATOM 0 HZ PHE B 67 9.943 4.552 -2.171 1.00 0.00 H new ATOM 1043 N SER B 68 4.376 10.709 -2.410 1.00 0.00 N ATOM 1044 CA SER B 68 3.586 11.919 -2.214 1.00 0.00 C ATOM 1045 C SER B 68 2.133 11.564 -1.930 1.00 0.00 C ATOM 1046 O SER B 68 1.497 12.156 -1.056 1.00 0.00 O ATOM 1047 CB SER B 68 3.673 12.822 -3.446 1.00 0.00 C ATOM 1048 OG SER B 68 2.916 14.005 -3.267 1.00 0.00 O ATOM 0 H SER B 68 4.872 10.670 -3.300 1.00 0.00 H new ATOM 0 HA SER B 68 3.991 12.457 -1.357 1.00 0.00 H new ATOM 0 HB2 SER B 68 4.714 13.079 -3.639 1.00 0.00 H new ATOM 0 HB3 SER B 68 3.310 12.284 -4.321 1.00 0.00 H new ATOM 0 HG SER B 68 2.990 14.565 -4.068 1.00 0.00 H new ATOM 1054 N MET B 69 1.618 10.584 -2.667 1.00 0.00 N ATOM 1055 CA MET B 69 0.244 10.133 -2.487 1.00 0.00 C ATOM 1056 C MET B 69 0.023 9.736 -1.034 1.00 0.00 C ATOM 1057 O MET B 69 -1.026 10.011 -0.449 1.00 0.00 O ATOM 1058 CB MET B 69 -0.050 8.942 -3.408 1.00 0.00 C ATOM 1059 CG MET B 69 0.380 9.171 -4.846 1.00 0.00 C ATOM 1060 SD MET B 69 -0.009 7.779 -5.924 1.00 0.00 S ATOM 1061 CE MET B 69 0.868 6.452 -5.101 1.00 0.00 C ATOM 0 H MET B 69 2.133 10.088 -3.394 1.00 0.00 H new ATOM 0 HA MET B 69 -0.434 10.947 -2.745 1.00 0.00 H new ATOM 0 HB2 MET B 69 0.458 8.059 -3.021 1.00 0.00 H new ATOM 0 HB3 MET B 69 -1.119 8.730 -3.386 1.00 0.00 H new ATOM 0 HG2 MET B 69 -0.109 10.067 -5.228 1.00 0.00 H new ATOM 0 HG3 MET B 69 1.454 9.357 -4.874 1.00 0.00 H new ATOM 0 HE1 MET B 69 1.290 5.778 -5.846 1.00 0.00 H new ATOM 0 HE2 MET B 69 1.671 6.869 -4.493 1.00 0.00 H new ATOM 0 HE3 MET B 69 0.178 5.901 -4.462 1.00 0.00 H new ATOM 1071 N LEU B 70 1.032 9.091 -0.462 1.00 0.00 N ATOM 1072 CA LEU B 70 0.983 8.645 0.922 1.00 0.00 C ATOM 1073 C LEU B 70 1.095 9.820 1.885 1.00 0.00 C ATOM 1074 O LEU B 70 0.509 9.804 2.959 1.00 0.00 O ATOM 1075 CB LEU B 70 2.116 7.662 1.194 1.00 0.00 C ATOM 1076 CG LEU B 70 2.245 6.519 0.193 1.00 0.00 C ATOM 1077 CD1 LEU B 70 3.434 5.650 0.558 1.00 0.00 C ATOM 1078 CD2 LEU B 70 0.964 5.693 0.139 1.00 0.00 C ATOM 0 H LEU B 70 1.903 8.864 -0.943 1.00 0.00 H new ATOM 0 HA LEU B 70 0.022 8.156 1.081 1.00 0.00 H new ATOM 0 HB2 LEU B 70 3.056 8.214 1.213 1.00 0.00 H new ATOM 0 HB3 LEU B 70 1.975 7.238 2.188 1.00 0.00 H new ATOM 0 HG LEU B 70 2.407 6.939 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU B 70 3.523 4.834 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU B 70 4.343 6.251 0.539 1.00 0.00 H new ATOM 0 HD13 LEU B 70 3.291 5.240 1.558 1.00 0.00 H new ATOM 0 HD21 LEU B 70 1.083 4.885 -0.582 1.00 0.00 H new ATOM 0 HD22 LEU B 70 0.760 5.273 1.124 1.00 0.00 H new ATOM 0 HD23 LEU B 70 0.133 6.330 -0.163 1.00 0.00 H new ATOM 1090 N ASP B 71 1.869 10.827 1.505 1.00 0.00 N ATOM 1091 CA ASP B 71 2.068 11.998 2.354 1.00 0.00 C ATOM 1092 C ASP B 71 0.734 12.581 2.818 1.00 0.00 C ATOM 1093 O ASP B 71 0.589 12.978 3.974 1.00 0.00 O ATOM 1094 CB ASP B 71 2.872 13.062 1.603 1.00 0.00 C ATOM 1095 CG ASP B 71 3.221 14.253 2.475 1.00 0.00 C ATOM 1096 OD1 ASP B 71 2.291 14.904 2.995 1.00 0.00 O ATOM 1097 OD2 ASP B 71 4.425 14.538 2.636 1.00 0.00 O ATOM 0 H ASP B 71 2.369 10.859 0.617 1.00 0.00 H new ATOM 0 HA ASP B 71 2.624 11.682 3.237 1.00 0.00 H new ATOM 0 HB2 ASP B 71 3.790 12.616 1.220 1.00 0.00 H new ATOM 0 HB3 ASP B 71 2.299 13.403 0.741 1.00 0.00 H new ATOM 1102 N GLN B 72 -0.232 12.641 1.907 1.00 0.00 N ATOM 1103 CA GLN B 72 -1.551 13.190 2.219 1.00 0.00 C ATOM 1104 C GLN B 72 -2.415 12.204 3.009 1.00 0.00 C ATOM 1105 O GLN B 72 -3.087 12.587 3.964 1.00 0.00 O ATOM 1106 CB GLN B 72 -2.266 13.596 0.929 1.00 0.00 C ATOM 1107 CG GLN B 72 -1.526 14.663 0.138 1.00 0.00 C ATOM 1108 CD GLN B 72 -2.259 15.069 -1.125 1.00 0.00 C ATOM 1109 OE1 GLN B 72 -2.508 14.245 -2.004 1.00 0.00 O ATOM 1110 NE2 GLN B 72 -2.606 16.347 -1.222 1.00 0.00 N ATOM 0 H GLN B 72 -0.128 12.317 0.946 1.00 0.00 H new ATOM 0 HA GLN B 72 -1.400 14.067 2.848 1.00 0.00 H new ATOM 0 HB2 GLN B 72 -2.396 12.714 0.302 1.00 0.00 H new ATOM 0 HB3 GLN B 72 -3.263 13.962 1.175 1.00 0.00 H new ATOM 0 HG2 GLN B 72 -1.381 15.541 0.767 1.00 0.00 H new ATOM 0 HG3 GLN B 72 -0.535 14.293 -0.125 1.00 0.00 H new ATOM 0 HE21 GLN B 72 -2.379 16.996 -0.468 1.00 0.00 H new ATOM 0 HE22 GLN B 72 -3.100 16.680 -2.050 1.00 0.00 H new ATOM 1119 N ARG B 73 -2.410 10.941 2.600 1.00 0.00 N ATOM 1120 CA ARG B 73 -3.210 9.919 3.272 1.00 0.00 C ATOM 1121 C ARG B 73 -2.655 9.587 4.658 1.00 0.00 C ATOM 1122 O ARG B 73 -3.399 9.495 5.633 1.00 0.00 O ATOM 1123 CB ARG B 73 -3.268 8.652 2.417 1.00 0.00 C ATOM 1124 CG ARG B 73 -3.970 8.858 1.084 1.00 0.00 C ATOM 1125 CD ARG B 73 -3.966 7.590 0.244 1.00 0.00 C ATOM 1126 NE ARG B 73 -4.737 7.748 -0.988 1.00 0.00 N ATOM 1127 CZ ARG B 73 -4.440 8.629 -1.941 1.00 0.00 C ATOM 1128 NH1 ARG B 73 -3.371 9.406 -1.824 1.00 0.00 N ATOM 1129 NH2 ARG B 73 -5.210 8.728 -3.015 1.00 0.00 N ATOM 0 H ARG B 73 -1.864 10.599 1.809 1.00 0.00 H new ATOM 0 HA ARG B 73 -4.216 10.318 3.402 1.00 0.00 H new ATOM 0 HB2 ARG B 73 -2.253 8.298 2.235 1.00 0.00 H new ATOM 0 HB3 ARG B 73 -3.783 7.869 2.974 1.00 0.00 H new ATOM 0 HG2 ARG B 73 -4.998 9.175 1.259 1.00 0.00 H new ATOM 0 HG3 ARG B 73 -3.478 9.660 0.534 1.00 0.00 H new ATOM 0 HD2 ARG B 73 -2.939 7.322 -0.003 1.00 0.00 H new ATOM 0 HD3 ARG B 73 -4.379 6.767 0.827 1.00 0.00 H new ATOM 0 HE ARG B 73 -5.550 7.148 -1.126 1.00 0.00 H new ATOM 0 HH11 ARG B 73 -2.773 9.330 -1.001 1.00 0.00 H new ATOM 0 HH12 ARG B 73 -3.147 10.079 -2.557 1.00 0.00 H new ATOM 0 HH21 ARG B 73 -6.030 8.129 -3.111 1.00 0.00 H new ATOM 0 HH22 ARG B 73 -4.983 9.403 -3.745 1.00 0.00 H new ATOM 1143 N PHE B 74 -1.345 9.397 4.724 1.00 0.00 N ATOM 1144 CA PHE B 74 -0.667 9.058 5.973 1.00 0.00 C ATOM 1145 C PHE B 74 -0.625 10.249 6.929 1.00 0.00 C ATOM 1146 O PHE B 74 -0.433 10.076 8.133 1.00 0.00 O ATOM 1147 CB PHE B 74 0.765 8.583 5.679 1.00 0.00 C ATOM 1148 CG PHE B 74 0.854 7.317 4.859 1.00 0.00 C ATOM 1149 CD1 PHE B 74 -0.222 6.872 4.104 1.00 0.00 C ATOM 1150 CD2 PHE B 74 2.024 6.574 4.845 1.00 0.00 C ATOM 1151 CE1 PHE B 74 -0.133 5.715 3.355 1.00 0.00 C ATOM 1152 CE2 PHE B 74 2.119 5.416 4.093 1.00 0.00 C ATOM 1153 CZ PHE B 74 1.037 4.986 3.347 1.00 0.00 C ATOM 0 H PHE B 74 -0.722 9.472 3.920 1.00 0.00 H new ATOM 0 HA PHE B 74 -1.231 8.258 6.452 1.00 0.00 H new ATOM 0 HB2 PHE B 74 1.296 9.377 5.155 1.00 0.00 H new ATOM 0 HB3 PHE B 74 1.282 8.424 6.625 1.00 0.00 H new ATOM 0 HD1 PHE B 74 -1.142 7.438 4.102 1.00 0.00 H new ATOM 0 HD2 PHE B 74 2.872 6.903 5.428 1.00 0.00 H new ATOM 0 HE1 PHE B 74 -0.981 5.381 2.775 1.00 0.00 H new ATOM 0 HE2 PHE B 74 3.038 4.848 4.089 1.00 0.00 H new ATOM 0 HZ PHE B 74 1.108 4.082 2.760 1.00 0.00 H new ATOM 1163 N GLY B 75 -0.795 11.454 6.391 1.00 0.00 N ATOM 1164 CA GLY B 75 -0.762 12.643 7.226 1.00 0.00 C ATOM 1165 C GLY B 75 -0.990 13.922 6.443 1.00 0.00 C ATOM 1166 O GLY B 75 -0.110 14.780 6.375 1.00 0.00 O ATOM 0 H GLY B 75 -0.954 11.628 5.399 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -1.523 12.557 8.001 1.00 0.00 H new ATOM 0 HA3 GLY B 75 0.202 12.699 7.731 1.00 0.00 H new ATOM 1170 N GLY B 76 -2.175 14.049 5.853 1.00 0.00 N ATOM 1171 CA GLY B 76 -2.502 15.234 5.076 1.00 0.00 C ATOM 1172 C GLY B 76 -2.297 16.518 5.856 1.00 0.00 C ATOM 1173 O GLY B 76 -1.936 17.546 5.284 1.00 0.00 O ATOM 0 H GLY B 76 -2.917 13.351 5.899 1.00 0.00 H new ATOM 0 HA2 GLY B 76 -1.885 15.257 4.178 1.00 0.00 H new ATOM 0 HA3 GLY B 76 -3.540 15.174 4.748 1.00 0.00 H new ATOM 1177 N GLY B 77 -2.535 16.457 7.163 1.00 0.00 N ATOM 1178 CA GLY B 77 -2.374 17.626 8.010 1.00 0.00 C ATOM 1179 C GLY B 77 -0.943 18.134 8.048 1.00 0.00 C ATOM 1180 O GLY B 77 -0.335 18.374 7.005 1.00 0.00 O ATOM 0 H GLY B 77 -2.838 15.615 7.652 1.00 0.00 H new ATOM 0 HA2 GLY B 77 -3.027 18.421 7.651 1.00 0.00 H new ATOM 0 HA3 GLY B 77 -2.695 17.382 9.023 1.00 0.00 H new ATOM 1184 N GLU B 78 -0.413 18.303 9.261 1.00 0.00 N ATOM 1185 CA GLU B 78 0.955 18.790 9.462 1.00 0.00 C ATOM 1186 C GLU B 78 1.283 19.937 8.505 1.00 0.00 C ATOM 1187 O GLU B 78 0.397 20.700 8.117 1.00 0.00 O ATOM 1188 CB GLU B 78 1.968 17.646 9.303 1.00 0.00 C ATOM 1189 CG GLU B 78 1.964 16.993 7.931 1.00 0.00 C ATOM 1190 CD GLU B 78 2.959 15.852 7.824 1.00 0.00 C ATOM 1191 OE1 GLU B 78 4.168 16.101 8.007 1.00 0.00 O ATOM 1192 OE2 GLU B 78 2.526 14.711 7.557 1.00 0.00 O ATOM 0 H GLU B 78 -0.915 18.108 10.127 1.00 0.00 H new ATOM 0 HA GLU B 78 1.025 19.174 10.480 1.00 0.00 H new ATOM 0 HB2 GLU B 78 2.967 18.031 9.506 1.00 0.00 H new ATOM 0 HB3 GLU B 78 1.760 16.885 10.055 1.00 0.00 H new ATOM 0 HG2 GLU B 78 0.963 16.619 7.714 1.00 0.00 H new ATOM 0 HG3 GLU B 78 2.195 17.743 7.175 1.00 0.00 H new ATOM 1199 N ASP B 79 2.557 20.052 8.127 1.00 0.00 N ATOM 1200 CA ASP B 79 2.991 21.108 7.215 1.00 0.00 C ATOM 1201 C ASP B 79 4.491 21.022 6.947 1.00 0.00 C ATOM 1202 O ASP B 79 4.929 21.109 5.799 1.00 0.00 O ATOM 1203 CB ASP B 79 2.651 22.486 7.790 1.00 0.00 C ATOM 1204 CG ASP B 79 3.024 23.614 6.848 1.00 0.00 C ATOM 1205 OD1 ASP B 79 2.488 23.646 5.720 1.00 0.00 O ATOM 1206 OD2 ASP B 79 3.851 24.465 7.237 1.00 0.00 O ATOM 0 H ASP B 79 3.303 19.429 8.437 1.00 0.00 H new ATOM 0 HA ASP B 79 2.461 20.970 6.273 1.00 0.00 H new ATOM 0 HB2 ASP B 79 1.583 22.534 8.005 1.00 0.00 H new ATOM 0 HB3 ASP B 79 3.173 22.620 8.737 1.00 0.00 H new ATOM 1211 N LEU B 80 5.274 20.858 8.011 1.00 0.00 N ATOM 1212 CA LEU B 80 6.726 20.768 7.883 1.00 0.00 C ATOM 1213 C LEU B 80 7.127 19.613 6.973 1.00 0.00 C ATOM 1214 O LEU B 80 6.565 18.520 7.053 1.00 0.00 O ATOM 1215 CB LEU B 80 7.393 20.593 9.254 1.00 0.00 C ATOM 1216 CG LEU B 80 7.257 21.775 10.223 1.00 0.00 C ATOM 1217 CD1 LEU B 80 7.619 23.085 9.537 1.00 0.00 C ATOM 1218 CD2 LEU B 80 5.859 21.836 10.814 1.00 0.00 C ATOM 0 H LEU B 80 4.929 20.785 8.968 1.00 0.00 H new ATOM 0 HA LEU B 80 7.068 21.703 7.440 1.00 0.00 H new ATOM 0 HB2 LEU B 80 6.972 19.708 9.731 1.00 0.00 H new ATOM 0 HB3 LEU B 80 8.454 20.397 9.098 1.00 0.00 H new ATOM 0 HG LEU B 80 7.959 21.621 11.042 1.00 0.00 H new ATOM 0 HD11 LEU B 80 7.515 23.907 10.245 1.00 0.00 H new ATOM 0 HD12 LEU B 80 8.649 23.038 9.184 1.00 0.00 H new ATOM 0 HD13 LEU B 80 6.953 23.248 8.690 1.00 0.00 H new ATOM 0 HD21 LEU B 80 5.789 22.682 11.497 1.00 0.00 H new ATOM 0 HD22 LEU B 80 5.130 21.956 10.012 1.00 0.00 H new ATOM 0 HD23 LEU B 80 5.653 20.914 11.357 1.00 0.00 H new ATOM 1230 N LEU B 81 8.109 19.863 6.111 1.00 0.00 N ATOM 1231 CA LEU B 81 8.598 18.847 5.187 1.00 0.00 C ATOM 1232 C LEU B 81 9.204 17.681 5.966 1.00 0.00 C ATOM 1233 O LEU B 81 9.006 16.518 5.612 1.00 0.00 O ATOM 1234 CB LEU B 81 9.636 19.461 4.239 1.00 0.00 C ATOM 1235 CG LEU B 81 9.920 18.671 2.953 1.00 0.00 C ATOM 1236 CD1 LEU B 81 10.622 17.357 3.261 1.00 0.00 C ATOM 1237 CD2 LEU B 81 8.634 18.425 2.180 1.00 0.00 C ATOM 0 H LEU B 81 8.582 20.763 6.034 1.00 0.00 H new ATOM 0 HA LEU B 81 7.765 18.470 4.594 1.00 0.00 H new ATOM 0 HB2 LEU B 81 9.300 20.460 3.962 1.00 0.00 H new ATOM 0 HB3 LEU B 81 10.572 19.579 4.784 1.00 0.00 H new ATOM 0 HG LEU B 81 10.586 19.269 2.331 1.00 0.00 H new ATOM 0 HD11 LEU B 81 10.811 16.819 2.332 1.00 0.00 H new ATOM 0 HD12 LEU B 81 11.569 17.559 3.762 1.00 0.00 H new ATOM 0 HD13 LEU B 81 9.990 16.750 3.910 1.00 0.00 H new ATOM 0 HD21 LEU B 81 8.857 17.864 1.272 1.00 0.00 H new ATOM 0 HD22 LEU B 81 7.941 17.854 2.799 1.00 0.00 H new ATOM 0 HD23 LEU B 81 8.181 19.380 1.914 1.00 0.00 H new ATOM 1249 N MET B 82 9.933 18.016 7.033 1.00 0.00 N ATOM 1250 CA MET B 82 10.579 17.024 7.896 1.00 0.00 C ATOM 1251 C MET B 82 11.812 16.410 7.234 1.00 0.00 C ATOM 1252 O MET B 82 12.901 16.425 7.809 1.00 0.00 O ATOM 1253 CB MET B 82 9.593 15.922 8.292 1.00 0.00 C ATOM 1254 CG MET B 82 8.414 16.425 9.107 1.00 0.00 C ATOM 1255 SD MET B 82 8.921 17.222 10.644 1.00 0.00 S ATOM 1256 CE MET B 82 9.822 15.893 11.436 1.00 0.00 C ATOM 0 H MET B 82 10.092 18.981 7.323 1.00 0.00 H new ATOM 0 HA MET B 82 10.906 17.547 8.795 1.00 0.00 H new ATOM 0 HB2 MET B 82 9.220 15.438 7.389 1.00 0.00 H new ATOM 0 HB3 MET B 82 10.122 15.161 8.866 1.00 0.00 H new ATOM 0 HG2 MET B 82 7.839 17.131 8.509 1.00 0.00 H new ATOM 0 HG3 MET B 82 7.753 15.589 9.337 1.00 0.00 H new ATOM 0 HE1 MET B 82 9.906 16.096 12.504 1.00 0.00 H new ATOM 0 HE2 MET B 82 9.290 14.953 11.286 1.00 0.00 H new ATOM 0 HE3 MET B 82 10.819 15.819 11.001 1.00 0.00 H new ATOM 1266 N SER B 83 11.643 15.872 6.030 1.00 0.00 N ATOM 1267 CA SER B 83 12.754 15.258 5.310 1.00 0.00 C ATOM 1268 C SER B 83 13.746 16.321 4.835 1.00 0.00 C ATOM 1269 O SER B 83 13.969 17.320 5.518 1.00 0.00 O ATOM 1270 CB SER B 83 12.230 14.450 4.120 1.00 0.00 C ATOM 1271 OG SER B 83 11.352 13.423 4.547 1.00 0.00 O ATOM 0 H SER B 83 10.752 15.848 5.534 1.00 0.00 H new ATOM 0 HA SER B 83 13.275 14.585 5.991 1.00 0.00 H new ATOM 0 HB2 SER B 83 11.710 15.112 3.428 1.00 0.00 H new ATOM 0 HB3 SER B 83 13.068 14.014 3.576 1.00 0.00 H new ATOM 0 HG SER B 83 11.030 12.923 3.768 1.00 0.00 H new ATOM 1277 N GLY B 84 14.334 16.104 3.660 1.00 0.00 N ATOM 1278 CA GLY B 84 15.286 17.059 3.122 1.00 0.00 C ATOM 1279 C GLY B 84 16.499 17.245 4.014 1.00 0.00 C ATOM 1280 O GLY B 84 16.814 18.366 4.415 1.00 0.00 O ATOM 0 H GLY B 84 14.168 15.286 3.074 1.00 0.00 H new ATOM 0 HA2 GLY B 84 15.613 16.724 2.137 1.00 0.00 H new ATOM 0 HA3 GLY B 84 14.791 18.020 2.984 1.00 0.00 H new ATOM 1284 N ASP B 85 17.181 16.148 4.325 1.00 0.00 N ATOM 1285 CA ASP B 85 18.366 16.202 5.176 1.00 0.00 C ATOM 1286 C ASP B 85 19.264 14.991 4.942 1.00 0.00 C ATOM 1287 O ASP B 85 20.483 15.124 4.842 1.00 0.00 O ATOM 1288 CB ASP B 85 17.959 16.277 6.649 1.00 0.00 C ATOM 1289 CG ASP B 85 19.155 16.348 7.578 1.00 0.00 C ATOM 1290 OD1 ASP B 85 19.969 17.283 7.428 1.00 0.00 O ATOM 1291 OD2 ASP B 85 19.275 15.473 8.459 1.00 0.00 O ATOM 0 H ASP B 85 16.935 15.212 4.002 1.00 0.00 H new ATOM 0 HA ASP B 85 18.927 17.099 4.916 1.00 0.00 H new ATOM 0 HB2 ASP B 85 17.329 17.153 6.805 1.00 0.00 H new ATOM 0 HB3 ASP B 85 17.358 15.404 6.902 1.00 0.00 H new ATOM 1296 N ASN B 86 18.653 13.813 4.850 1.00 0.00 N ATOM 1297 CA ASN B 86 19.392 12.575 4.620 1.00 0.00 C ATOM 1298 C ASN B 86 18.451 11.376 4.618 1.00 0.00 C ATOM 1299 O ASN B 86 17.660 11.195 5.542 1.00 0.00 O ATOM 1300 CB ASN B 86 20.470 12.380 5.688 1.00 0.00 C ATOM 1301 CG ASN B 86 21.237 11.084 5.508 1.00 0.00 C ATOM 1302 OD1 ASN B 86 21.876 10.866 4.479 1.00 0.00 O ATOM 1303 ND2 ASN B 86 21.174 10.215 6.510 1.00 0.00 N ATOM 0 H ASN B 86 17.644 13.690 4.932 1.00 0.00 H new ATOM 0 HA ASN B 86 19.871 12.651 3.644 1.00 0.00 H new ATOM 0 HB2 ASN B 86 21.166 13.218 5.655 1.00 0.00 H new ATOM 0 HB3 ASN B 86 20.006 12.390 6.674 1.00 0.00 H new ATOM 0 HD21 ASN B 86 21.668 9.325 6.445 1.00 0.00 H new ATOM 0 HD22 ASN B 86 20.632 10.438 7.345 1.00 0.00 H new ATOM 1310 N GLY B 87 18.550 10.556 3.577 1.00 0.00 N ATOM 1311 CA GLY B 87 17.707 9.380 3.480 1.00 0.00 C ATOM 1312 C GLY B 87 17.772 8.728 2.114 1.00 0.00 C ATOM 1313 O GLY B 87 17.357 9.318 1.117 1.00 0.00 O ATOM 0 H GLY B 87 19.198 10.685 2.800 1.00 0.00 H new ATOM 0 HA2 GLY B 87 18.009 8.657 4.238 1.00 0.00 H new ATOM 0 HA3 GLY B 87 16.676 9.658 3.697 1.00 0.00 H new ATOM 1317 N MET B 88 18.287 7.505 2.070 1.00 0.00 N ATOM 1318 CA MET B 88 18.398 6.765 0.818 1.00 0.00 C ATOM 1319 C MET B 88 17.037 6.224 0.391 1.00 0.00 C ATOM 1320 O MET B 88 16.004 6.823 0.688 1.00 0.00 O ATOM 1321 CB MET B 88 19.400 5.620 0.977 1.00 0.00 C ATOM 1322 CG MET B 88 19.086 4.699 2.145 1.00 0.00 C ATOM 1323 SD MET B 88 20.274 3.353 2.310 1.00 0.00 S ATOM 1324 CE MET B 88 20.047 2.507 0.748 1.00 0.00 C ATOM 0 H MET B 88 18.635 7.004 2.888 1.00 0.00 H new ATOM 0 HA MET B 88 18.754 7.442 0.042 1.00 0.00 H new ATOM 0 HB2 MET B 88 19.420 5.035 0.058 1.00 0.00 H new ATOM 0 HB3 MET B 88 20.398 6.037 1.111 1.00 0.00 H new ATOM 0 HG2 MET B 88 19.072 5.280 3.067 1.00 0.00 H new ATOM 0 HG3 MET B 88 18.087 4.282 2.015 1.00 0.00 H new ATOM 0 HE1 MET B 88 20.081 1.430 0.909 1.00 0.00 H new ATOM 0 HE2 MET B 88 19.081 2.780 0.323 1.00 0.00 H new ATOM 0 HE3 MET B 88 20.841 2.796 0.059 1.00 0.00 H new ATOM 1334 N THR B 89 17.037 5.086 -0.300 1.00 0.00 N ATOM 1335 CA THR B 89 15.791 4.477 -0.749 1.00 0.00 C ATOM 1336 C THR B 89 15.064 3.822 0.420 1.00 0.00 C ATOM 1337 O THR B 89 13.878 4.058 0.629 1.00 0.00 O ATOM 1338 CB THR B 89 16.031 3.425 -1.856 1.00 0.00 C ATOM 1339 OG1 THR B 89 16.765 4.014 -2.937 1.00 0.00 O ATOM 1340 CG2 THR B 89 14.712 2.865 -2.385 1.00 0.00 C ATOM 0 H THR B 89 17.879 4.572 -0.559 1.00 0.00 H new ATOM 0 HA THR B 89 15.176 5.276 -1.163 1.00 0.00 H new ATOM 0 HB THR B 89 16.604 2.606 -1.421 1.00 0.00 H new ATOM 0 HG1 THR B 89 16.916 3.342 -3.635 1.00 0.00 H new ATOM 0 HG21 THR B 89 14.915 2.128 -3.162 1.00 0.00 H new ATOM 0 HG22 THR B 89 14.165 2.391 -1.570 1.00 0.00 H new ATOM 0 HG23 THR B 89 14.114 3.675 -2.801 1.00 0.00 H new ATOM 1348 N GLU B 90 15.782 3.000 1.183 1.00 0.00 N ATOM 1349 CA GLU B 90 15.189 2.312 2.327 1.00 0.00 C ATOM 1350 C GLU B 90 14.572 3.299 3.311 1.00 0.00 C ATOM 1351 O GLU B 90 13.455 3.094 3.777 1.00 0.00 O ATOM 1352 CB GLU B 90 16.228 1.460 3.057 1.00 0.00 C ATOM 1353 CG GLU B 90 17.063 0.584 2.143 1.00 0.00 C ATOM 1354 CD GLU B 90 18.123 -0.196 2.895 1.00 0.00 C ATOM 1355 OE1 GLU B 90 18.993 0.442 3.526 1.00 0.00 O ATOM 1356 OE2 GLU B 90 18.085 -1.443 2.854 1.00 0.00 O ATOM 0 H GLU B 90 16.770 2.795 1.031 1.00 0.00 H new ATOM 0 HA GLU B 90 14.404 1.665 1.935 1.00 0.00 H new ATOM 0 HB2 GLU B 90 16.892 2.118 3.618 1.00 0.00 H new ATOM 0 HB3 GLU B 90 15.718 0.827 3.783 1.00 0.00 H new ATOM 0 HG2 GLU B 90 16.410 -0.112 1.616 1.00 0.00 H new ATOM 0 HG3 GLU B 90 17.542 1.206 1.387 1.00 0.00 H new ATOM 1363 N GLU B 91 15.304 4.366 3.628 1.00 0.00 N ATOM 1364 CA GLU B 91 14.815 5.373 4.567 1.00 0.00 C ATOM 1365 C GLU B 91 13.398 5.799 4.207 1.00 0.00 C ATOM 1366 O GLU B 91 12.503 5.798 5.053 1.00 0.00 O ATOM 1367 CB GLU B 91 15.742 6.590 4.581 1.00 0.00 C ATOM 1368 CG GLU B 91 17.160 6.274 5.032 1.00 0.00 C ATOM 1369 CD GLU B 91 17.226 5.771 6.462 1.00 0.00 C ATOM 1370 OE1 GLU B 91 16.645 4.702 6.745 1.00 0.00 O ATOM 1371 OE2 GLU B 91 17.860 6.446 7.300 1.00 0.00 O ATOM 0 H GLU B 91 16.233 4.555 3.251 1.00 0.00 H new ATOM 0 HA GLU B 91 14.803 4.931 5.563 1.00 0.00 H new ATOM 0 HB2 GLU B 91 15.776 7.021 3.580 1.00 0.00 H new ATOM 0 HB3 GLU B 91 15.321 7.349 5.241 1.00 0.00 H new ATOM 0 HG2 GLU B 91 17.588 5.523 4.368 1.00 0.00 H new ATOM 0 HG3 GLU B 91 17.774 7.170 4.938 1.00 0.00 H new ATOM 1378 N LYS B 92 13.194 6.141 2.939 1.00 0.00 N ATOM 1379 CA LYS B 92 11.880 6.543 2.460 1.00 0.00 C ATOM 1380 C LYS B 92 10.955 5.331 2.464 1.00 0.00 C ATOM 1381 O LYS B 92 9.768 5.427 2.776 1.00 0.00 O ATOM 1382 CB LYS B 92 11.988 7.117 1.045 1.00 0.00 C ATOM 1383 CG LYS B 92 10.943 8.174 0.732 1.00 0.00 C ATOM 1384 CD LYS B 92 11.220 9.469 1.481 1.00 0.00 C ATOM 1385 CE LYS B 92 12.554 10.075 1.072 1.00 0.00 C ATOM 1386 NZ LYS B 92 12.843 11.339 1.804 1.00 0.00 N ATOM 0 H LYS B 92 13.923 6.147 2.226 1.00 0.00 H new ATOM 0 HA LYS B 92 11.474 7.313 3.116 1.00 0.00 H new ATOM 0 HB2 LYS B 92 12.980 7.549 0.913 1.00 0.00 H new ATOM 0 HB3 LYS B 92 11.896 6.304 0.325 1.00 0.00 H new ATOM 0 HG2 LYS B 92 10.930 8.368 -0.340 1.00 0.00 H new ATOM 0 HG3 LYS B 92 9.955 7.801 1.001 1.00 0.00 H new ATOM 0 HD2 LYS B 92 10.420 10.182 1.285 1.00 0.00 H new ATOM 0 HD3 LYS B 92 11.220 9.277 2.554 1.00 0.00 H new ATOM 0 HE2 LYS B 92 13.351 9.356 1.262 1.00 0.00 H new ATOM 0 HE3 LYS B 92 12.549 10.271 -0.000 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 13.761 11.717 1.494 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 12.096 12.035 1.604 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 12.874 11.149 2.826 1.00 0.00 H new ATOM 1400 N LEU B 93 11.538 4.188 2.120 1.00 0.00 N ATOM 1401 CA LEU B 93 10.831 2.913 2.073 1.00 0.00 C ATOM 1402 C LEU B 93 10.317 2.500 3.452 1.00 0.00 C ATOM 1403 O LEU B 93 9.372 1.724 3.561 1.00 0.00 O ATOM 1404 CB LEU B 93 11.771 1.832 1.531 1.00 0.00 C ATOM 1405 CG LEU B 93 11.788 1.647 0.007 1.00 0.00 C ATOM 1406 CD1 LEU B 93 11.722 2.977 -0.726 1.00 0.00 C ATOM 1407 CD2 LEU B 93 13.022 0.870 -0.418 1.00 0.00 C ATOM 0 H LEU B 93 12.523 4.120 1.864 1.00 0.00 H new ATOM 0 HA LEU B 93 9.969 3.028 1.416 1.00 0.00 H new ATOM 0 HB2 LEU B 93 12.784 2.064 1.859 1.00 0.00 H new ATOM 0 HB3 LEU B 93 11.498 0.881 1.988 1.00 0.00 H new ATOM 0 HG LEU B 93 10.898 1.079 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU B 93 11.736 2.801 -1.802 1.00 0.00 H new ATOM 0 HD12 LEU B 93 10.803 3.496 -0.456 1.00 0.00 H new ATOM 0 HD13 LEU B 93 12.580 3.589 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU B 93 13.019 0.747 -1.501 1.00 0.00 H new ATOM 0 HD22 LEU B 93 13.917 1.415 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU B 93 13.017 -0.110 0.058 1.00 0.00 H new ATOM 1419 N ARG B 94 10.961 2.997 4.501 1.00 0.00 N ATOM 1420 CA ARG B 94 10.581 2.654 5.870 1.00 0.00 C ATOM 1421 C ARG B 94 9.338 3.407 6.338 1.00 0.00 C ATOM 1422 O ARG B 94 8.458 2.829 6.971 1.00 0.00 O ATOM 1423 CB ARG B 94 11.742 2.931 6.825 1.00 0.00 C ATOM 1424 CG ARG B 94 12.968 2.075 6.556 1.00 0.00 C ATOM 1425 CD ARG B 94 14.099 2.402 7.517 1.00 0.00 C ATOM 1426 NE ARG B 94 15.287 1.592 7.258 1.00 0.00 N ATOM 1427 CZ ARG B 94 16.411 1.686 7.962 1.00 0.00 C ATOM 1428 NH1 ARG B 94 16.499 2.549 8.965 1.00 0.00 N ATOM 1429 NH2 ARG B 94 17.447 0.915 7.663 1.00 0.00 N ATOM 0 H ARG B 94 11.750 3.640 4.432 1.00 0.00 H new ATOM 0 HA ARG B 94 10.341 1.591 5.876 1.00 0.00 H new ATOM 0 HB2 ARG B 94 12.020 3.982 6.751 1.00 0.00 H new ATOM 0 HB3 ARG B 94 11.408 2.761 7.849 1.00 0.00 H new ATOM 0 HG2 ARG B 94 12.704 1.021 6.648 1.00 0.00 H new ATOM 0 HG3 ARG B 94 13.304 2.231 5.531 1.00 0.00 H new ATOM 0 HD2 ARG B 94 14.354 3.458 7.431 1.00 0.00 H new ATOM 0 HD3 ARG B 94 13.764 2.237 8.541 1.00 0.00 H new ATOM 0 HE ARG B 94 15.252 0.917 6.494 1.00 0.00 H new ATOM 0 HH11 ARG B 94 15.703 3.143 9.198 1.00 0.00 H new ATOM 0 HH12 ARG B 94 17.363 2.619 9.503 1.00 0.00 H new ATOM 0 HH21 ARG B 94 17.382 0.250 6.893 1.00 0.00 H new ATOM 0 HH22 ARG B 94 18.309 0.987 8.203 1.00 0.00 H new ATOM 1443 N ARG B 95 9.275 4.701 6.054 1.00 0.00 N ATOM 1444 CA ARG B 95 8.139 5.511 6.484 1.00 0.00 C ATOM 1445 C ARG B 95 6.964 5.436 5.507 1.00 0.00 C ATOM 1446 O ARG B 95 5.814 5.340 5.928 1.00 0.00 O ATOM 1447 CB ARG B 95 8.571 6.962 6.692 1.00 0.00 C ATOM 1448 CG ARG B 95 9.305 7.559 5.506 1.00 0.00 C ATOM 1449 CD ARG B 95 9.692 9.005 5.766 1.00 0.00 C ATOM 1450 NE ARG B 95 8.526 9.841 6.040 1.00 0.00 N ATOM 1451 CZ ARG B 95 8.598 11.140 6.313 1.00 0.00 C ATOM 1452 NH1 ARG B 95 9.775 11.750 6.349 1.00 0.00 N ATOM 1453 NH2 ARG B 95 7.491 11.830 6.550 1.00 0.00 N ATOM 0 H ARG B 95 9.989 5.210 5.533 1.00 0.00 H new ATOM 0 HA ARG B 95 7.791 5.100 7.432 1.00 0.00 H new ATOM 0 HB2 ARG B 95 7.689 7.567 6.904 1.00 0.00 H new ATOM 0 HB3 ARG B 95 9.214 7.017 7.571 1.00 0.00 H new ATOM 0 HG2 ARG B 95 10.200 6.973 5.297 1.00 0.00 H new ATOM 0 HG3 ARG B 95 8.673 7.503 4.619 1.00 0.00 H new ATOM 0 HD2 ARG B 95 10.378 9.051 6.612 1.00 0.00 H new ATOM 0 HD3 ARG B 95 10.226 9.399 4.901 1.00 0.00 H new ATOM 0 HE ARG B 95 7.605 9.403 6.021 1.00 0.00 H new ATOM 0 HH11 ARG B 95 10.629 11.222 6.167 1.00 0.00 H new ATOM 0 HH12 ARG B 95 9.827 12.747 6.559 1.00 0.00 H new ATOM 0 HH21 ARG B 95 6.584 11.364 6.523 1.00 0.00 H new ATOM 0 HH22 ARG B 95 7.546 12.827 6.759 1.00 0.00 H new ATOM 1467 N TYR B 96 7.245 5.496 4.209 1.00 0.00 N ATOM 1468 CA TYR B 96 6.181 5.448 3.205 1.00 0.00 C ATOM 1469 C TYR B 96 5.822 4.020 2.802 1.00 0.00 C ATOM 1470 O TYR B 96 4.653 3.634 2.824 1.00 0.00 O ATOM 1471 CB TYR B 96 6.581 6.219 1.945 1.00 0.00 C ATOM 1472 CG TYR B 96 6.731 7.710 2.141 1.00 0.00 C ATOM 1473 CD1 TYR B 96 7.920 8.252 2.605 1.00 0.00 C ATOM 1474 CD2 TYR B 96 5.682 8.574 1.857 1.00 0.00 C ATOM 1475 CE1 TYR B 96 8.061 9.615 2.783 1.00 0.00 C ATOM 1476 CE2 TYR B 96 5.814 9.937 2.032 1.00 0.00 C ATOM 1477 CZ TYR B 96 7.004 10.453 2.494 1.00 0.00 C ATOM 1478 OH TYR B 96 7.141 11.811 2.669 1.00 0.00 O ATOM 0 H TYR B 96 8.188 5.577 3.828 1.00 0.00 H new ATOM 0 HA TYR B 96 5.310 5.909 3.669 1.00 0.00 H new ATOM 0 HB2 TYR B 96 7.524 5.818 1.574 1.00 0.00 H new ATOM 0 HB3 TYR B 96 5.833 6.041 1.173 1.00 0.00 H new ATOM 0 HD1 TYR B 96 8.749 7.598 2.831 1.00 0.00 H new ATOM 0 HD2 TYR B 96 4.747 8.173 1.493 1.00 0.00 H new ATOM 0 HE1 TYR B 96 8.993 10.022 3.146 1.00 0.00 H new ATOM 0 HE2 TYR B 96 4.988 10.595 1.808 1.00 0.00 H new ATOM 0 HH TYR B 96 6.306 12.259 2.419 1.00 0.00 H new ATOM 1488 N LEU B 97 6.827 3.263 2.380 1.00 0.00 N ATOM 1489 CA LEU B 97 6.616 1.899 1.905 1.00 0.00 C ATOM 1490 C LEU B 97 6.294 0.886 3.007 1.00 0.00 C ATOM 1491 O LEU B 97 5.438 0.024 2.820 1.00 0.00 O ATOM 1492 CB LEU B 97 7.818 1.439 1.088 1.00 0.00 C ATOM 1493 CG LEU B 97 7.891 2.008 -0.336 1.00 0.00 C ATOM 1494 CD1 LEU B 97 8.837 1.179 -1.188 1.00 0.00 C ATOM 1495 CD2 LEU B 97 6.510 2.054 -0.974 1.00 0.00 C ATOM 0 H LEU B 97 7.799 3.570 2.357 1.00 0.00 H new ATOM 0 HA LEU B 97 5.725 1.935 1.278 1.00 0.00 H new ATOM 0 HB2 LEU B 97 8.728 1.716 1.621 1.00 0.00 H new ATOM 0 HB3 LEU B 97 7.802 0.351 1.028 1.00 0.00 H new ATOM 0 HG LEU B 97 8.273 3.027 -0.276 1.00 0.00 H new ATOM 0 HD11 LEU B 97 8.878 1.594 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU B 97 9.834 1.196 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU B 97 8.479 0.151 -1.234 1.00 0.00 H new ATOM 0 HD21 LEU B 97 6.588 2.461 -1.982 1.00 0.00 H new ATOM 0 HD22 LEU B 97 6.097 1.046 -1.020 1.00 0.00 H new ATOM 0 HD23 LEU B 97 5.854 2.688 -0.377 1.00 0.00 H new ATOM 1507 N LYS B 98 6.965 0.958 4.144 1.00 0.00 N ATOM 1508 CA LYS B 98 6.688 0.004 5.213 1.00 0.00 C ATOM 1509 C LYS B 98 5.256 0.174 5.703 1.00 0.00 C ATOM 1510 O LYS B 98 4.610 -0.785 6.128 1.00 0.00 O ATOM 1511 CB LYS B 98 7.667 0.173 6.373 1.00 0.00 C ATOM 1512 CG LYS B 98 7.471 -0.849 7.483 1.00 0.00 C ATOM 1513 CD LYS B 98 8.471 -0.653 8.612 1.00 0.00 C ATOM 1514 CE LYS B 98 8.295 0.698 9.288 1.00 0.00 C ATOM 1515 NZ LYS B 98 9.282 0.904 10.383 1.00 0.00 N ATOM 0 H LYS B 98 7.688 1.647 4.352 1.00 0.00 H new ATOM 0 HA LYS B 98 6.814 -1.002 4.813 1.00 0.00 H new ATOM 0 HB2 LYS B 98 8.686 0.095 5.993 1.00 0.00 H new ATOM 0 HB3 LYS B 98 7.557 1.175 6.788 1.00 0.00 H new ATOM 0 HG2 LYS B 98 6.458 -0.769 7.877 1.00 0.00 H new ATOM 0 HG3 LYS B 98 7.576 -1.854 7.075 1.00 0.00 H new ATOM 0 HD2 LYS B 98 8.349 -1.447 9.348 1.00 0.00 H new ATOM 0 HD3 LYS B 98 9.485 -0.735 8.219 1.00 0.00 H new ATOM 0 HE2 LYS B 98 8.403 1.491 8.548 1.00 0.00 H new ATOM 0 HE3 LYS B 98 7.285 0.773 9.691 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 9.128 1.836 10.818 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 9.162 0.162 11.102 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 10.246 0.858 9.995 1.00 0.00 H new ATOM 1529 N ARG B 99 4.771 1.409 5.639 1.00 0.00 N ATOM 1530 CA ARG B 99 3.419 1.732 6.073 1.00 0.00 C ATOM 1531 C ARG B 99 2.371 1.319 5.046 1.00 0.00 C ATOM 1532 O ARG B 99 1.325 0.785 5.409 1.00 0.00 O ATOM 1533 CB ARG B 99 3.302 3.229 6.350 1.00 0.00 C ATOM 1534 CG ARG B 99 4.096 3.686 7.563 1.00 0.00 C ATOM 1535 CD ARG B 99 3.639 2.977 8.828 1.00 0.00 C ATOM 1536 NE ARG B 99 4.389 3.407 10.004 1.00 0.00 N ATOM 1537 CZ ARG B 99 4.187 2.921 11.224 1.00 0.00 C ATOM 1538 NH1 ARG B 99 3.265 1.989 11.426 1.00 0.00 N ATOM 1539 NH2 ARG B 99 4.906 3.366 12.245 1.00 0.00 N ATOM 0 H ARG B 99 5.300 2.208 5.288 1.00 0.00 H new ATOM 0 HA ARG B 99 3.229 1.168 6.986 1.00 0.00 H new ATOM 0 HB2 ARG B 99 3.643 3.780 5.474 1.00 0.00 H new ATOM 0 HB3 ARG B 99 2.252 3.482 6.497 1.00 0.00 H new ATOM 0 HG2 ARG B 99 5.156 3.493 7.399 1.00 0.00 H new ATOM 0 HG3 ARG B 99 3.984 4.763 7.688 1.00 0.00 H new ATOM 0 HD2 ARG B 99 2.578 3.169 8.986 1.00 0.00 H new ATOM 0 HD3 ARG B 99 3.753 1.901 8.700 1.00 0.00 H new ATOM 0 HE ARG B 99 5.108 4.120 9.883 1.00 0.00 H new ATOM 0 HH11 ARG B 99 2.709 1.644 10.644 1.00 0.00 H new ATOM 0 HH12 ARG B 99 3.112 1.618 12.364 1.00 0.00 H new ATOM 0 HH21 ARG B 99 5.616 4.083 12.095 1.00 0.00 H new ATOM 0 HH22 ARG B 99 4.749 2.992 13.181 1.00 0.00 H new ATOM 1553 N THR B 100 2.637 1.589 3.769 1.00 0.00 N ATOM 1554 CA THR B 100 1.684 1.260 2.712 1.00 0.00 C ATOM 1555 C THR B 100 1.238 -0.192 2.765 1.00 0.00 C ATOM 1556 O THR B 100 0.100 -0.501 2.428 1.00 0.00 O ATOM 1557 CB THR B 100 2.224 1.568 1.307 1.00 0.00 C ATOM 1558 OG1 THR B 100 1.317 1.067 0.324 1.00 0.00 O ATOM 1559 CG2 THR B 100 3.583 0.948 1.084 1.00 0.00 C ATOM 0 H THR B 100 3.497 2.031 3.444 1.00 0.00 H new ATOM 0 HA THR B 100 0.823 1.902 2.901 1.00 0.00 H new ATOM 0 HB THR B 100 2.322 2.650 1.219 1.00 0.00 H new ATOM 0 HG1 THR B 100 0.666 0.473 0.752 1.00 0.00 H new ATOM 0 HG21 THR B 100 3.932 1.188 0.080 1.00 0.00 H new ATOM 0 HG22 THR B 100 4.287 1.342 1.817 1.00 0.00 H new ATOM 0 HG23 THR B 100 3.512 -0.134 1.195 1.00 0.00 H new ATOM 1567 N VAL B 101 2.122 -1.085 3.187 1.00 0.00 N ATOM 1568 CA VAL B 101 1.767 -2.495 3.275 1.00 0.00 C ATOM 1569 C VAL B 101 0.625 -2.690 4.270 1.00 0.00 C ATOM 1570 O VAL B 101 -0.312 -3.448 4.012 1.00 0.00 O ATOM 1571 CB VAL B 101 2.987 -3.370 3.644 1.00 0.00 C ATOM 1572 CG1 VAL B 101 2.691 -4.314 4.794 1.00 0.00 C ATOM 1573 CG2 VAL B 101 3.450 -4.151 2.425 1.00 0.00 C ATOM 0 H VAL B 101 3.077 -0.864 3.470 1.00 0.00 H new ATOM 0 HA VAL B 101 1.429 -2.820 2.291 1.00 0.00 H new ATOM 0 HB VAL B 101 3.783 -2.703 3.975 1.00 0.00 H new ATOM 0 HG11 VAL B 101 3.578 -4.907 5.016 1.00 0.00 H new ATOM 0 HG12 VAL B 101 2.411 -3.737 5.675 1.00 0.00 H new ATOM 0 HG13 VAL B 101 1.871 -4.977 4.518 1.00 0.00 H new ATOM 0 HG21 VAL B 101 4.310 -4.766 2.692 1.00 0.00 H new ATOM 0 HG22 VAL B 101 2.641 -4.792 2.074 1.00 0.00 H new ATOM 0 HG23 VAL B 101 3.732 -3.457 1.633 1.00 0.00 H new ATOM 1583 N THR B 102 0.691 -1.979 5.392 1.00 0.00 N ATOM 1584 CA THR B 102 -0.356 -2.051 6.404 1.00 0.00 C ATOM 1585 C THR B 102 -1.570 -1.244 5.956 1.00 0.00 C ATOM 1586 O THR B 102 -2.711 -1.679 6.105 1.00 0.00 O ATOM 1587 CB THR B 102 0.128 -1.528 7.769 1.00 0.00 C ATOM 1588 OG1 THR B 102 1.249 -2.299 8.219 1.00 0.00 O ATOM 1589 CG2 THR B 102 -0.987 -1.600 8.803 1.00 0.00 C ATOM 0 H THR B 102 1.458 -1.347 5.622 1.00 0.00 H new ATOM 0 HA THR B 102 -0.626 -3.101 6.520 1.00 0.00 H new ATOM 0 HB THR B 102 0.426 -0.486 7.649 1.00 0.00 H new ATOM 0 HG1 THR B 102 1.552 -1.959 9.087 1.00 0.00 H new ATOM 0 HG21 THR B 102 -0.621 -1.225 9.759 1.00 0.00 H new ATOM 0 HG22 THR B 102 -1.829 -0.992 8.473 1.00 0.00 H new ATOM 0 HG23 THR B 102 -1.310 -2.635 8.918 1.00 0.00 H new ATOM 1597 N GLU B 103 -1.304 -0.068 5.390 1.00 0.00 N ATOM 1598 CA GLU B 103 -2.357 0.810 4.890 1.00 0.00 C ATOM 1599 C GLU B 103 -3.183 0.081 3.845 1.00 0.00 C ATOM 1600 O GLU B 103 -4.411 0.152 3.835 1.00 0.00 O ATOM 1601 CB GLU B 103 -1.740 2.070 4.280 1.00 0.00 C ATOM 1602 CG GLU B 103 -1.029 2.954 5.294 1.00 0.00 C ATOM 1603 CD GLU B 103 -1.970 3.530 6.335 1.00 0.00 C ATOM 1604 OE1 GLU B 103 -2.583 2.742 7.085 1.00 0.00 O ATOM 1605 OE2 GLU B 103 -2.094 4.772 6.400 1.00 0.00 O ATOM 0 H GLU B 103 -0.361 0.299 5.266 1.00 0.00 H new ATOM 0 HA GLU B 103 -3.004 1.097 5.719 1.00 0.00 H new ATOM 0 HB2 GLU B 103 -1.031 1.778 3.505 1.00 0.00 H new ATOM 0 HB3 GLU B 103 -2.525 2.649 3.793 1.00 0.00 H new ATOM 0 HG2 GLU B 103 -0.253 2.374 5.794 1.00 0.00 H new ATOM 0 HG3 GLU B 103 -0.530 3.770 4.771 1.00 0.00 H new ATOM 1612 N LEU B 104 -2.484 -0.640 2.982 1.00 0.00 N ATOM 1613 CA LEU B 104 -3.111 -1.422 1.932 1.00 0.00 C ATOM 1614 C LEU B 104 -4.024 -2.466 2.553 1.00 0.00 C ATOM 1615 O LEU B 104 -5.168 -2.642 2.135 1.00 0.00 O ATOM 1616 CB LEU B 104 -2.030 -2.107 1.098 1.00 0.00 C ATOM 1617 CG LEU B 104 -2.534 -3.042 0.004 1.00 0.00 C ATOM 1618 CD1 LEU B 104 -3.050 -2.246 -1.177 1.00 0.00 C ATOM 1619 CD2 LEU B 104 -1.423 -3.965 -0.450 1.00 0.00 C ATOM 0 H LEU B 104 -1.466 -0.698 2.991 1.00 0.00 H new ATOM 0 HA LEU B 104 -3.701 -0.768 1.290 1.00 0.00 H new ATOM 0 HB2 LEU B 104 -1.411 -1.338 0.637 1.00 0.00 H new ATOM 0 HB3 LEU B 104 -1.385 -2.676 1.768 1.00 0.00 H new ATOM 0 HG LEU B 104 -3.350 -3.638 0.412 1.00 0.00 H new ATOM 0 HD11 LEU B 104 -3.406 -2.929 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU B 104 -3.870 -1.605 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU B 104 -2.246 -1.630 -1.580 1.00 0.00 H new ATOM 0 HD21 LEU B 104 -1.796 -4.627 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU B 104 -0.595 -3.373 -0.841 1.00 0.00 H new ATOM 0 HD23 LEU B 104 -1.076 -4.560 0.395 1.00 0.00 H new ATOM 1631 N ASP B 105 -3.500 -3.142 3.568 1.00 0.00 N ATOM 1632 CA ASP B 105 -4.244 -4.164 4.283 1.00 0.00 C ATOM 1633 C ASP B 105 -5.439 -3.543 4.998 1.00 0.00 C ATOM 1634 O ASP B 105 -6.473 -4.183 5.174 1.00 0.00 O ATOM 1635 CB ASP B 105 -3.331 -4.867 5.292 1.00 0.00 C ATOM 1636 CG ASP B 105 -4.003 -6.041 5.980 1.00 0.00 C ATOM 1637 OD1 ASP B 105 -5.162 -6.351 5.634 1.00 0.00 O ATOM 1638 OD2 ASP B 105 -3.365 -6.655 6.861 1.00 0.00 O ATOM 0 H ASP B 105 -2.552 -2.996 3.915 1.00 0.00 H new ATOM 0 HA ASP B 105 -4.610 -4.899 3.566 1.00 0.00 H new ATOM 0 HB2 ASP B 105 -2.434 -5.217 4.780 1.00 0.00 H new ATOM 0 HB3 ASP B 105 -3.008 -4.148 6.045 1.00 0.00 H new ATOM 1643 N SER B 106 -5.281 -2.289 5.413 1.00 0.00 N ATOM 1644 CA SER B 106 -6.338 -1.573 6.116 1.00 0.00 C ATOM 1645 C SER B 106 -7.503 -1.239 5.188 1.00 0.00 C ATOM 1646 O SER B 106 -8.641 -1.624 5.447 1.00 0.00 O ATOM 1647 CB SER B 106 -5.784 -0.287 6.733 1.00 0.00 C ATOM 1648 OG SER B 106 -4.756 -0.570 7.666 1.00 0.00 O ATOM 0 H SER B 106 -4.428 -1.748 5.273 1.00 0.00 H new ATOM 0 HA SER B 106 -6.710 -2.226 6.906 1.00 0.00 H new ATOM 0 HB2 SER B 106 -5.397 0.360 5.946 1.00 0.00 H new ATOM 0 HB3 SER B 106 -6.588 0.258 7.227 1.00 0.00 H new ATOM 0 HG SER B 106 -3.991 -0.968 7.200 1.00 0.00 H new ATOM 1654 N VAL B 107 -7.214 -0.513 4.111 1.00 0.00 N ATOM 1655 CA VAL B 107 -8.247 -0.124 3.158 1.00 0.00 C ATOM 1656 C VAL B 107 -8.955 -1.348 2.583 1.00 0.00 C ATOM 1657 O VAL B 107 -10.175 -1.348 2.423 1.00 0.00 O ATOM 1658 CB VAL B 107 -7.672 0.737 2.015 1.00 0.00 C ATOM 1659 CG1 VAL B 107 -6.606 -0.016 1.242 1.00 0.00 C ATOM 1660 CG2 VAL B 107 -8.772 1.200 1.083 1.00 0.00 C ATOM 0 H VAL B 107 -6.277 -0.184 3.878 1.00 0.00 H new ATOM 0 HA VAL B 107 -8.974 0.477 3.705 1.00 0.00 H new ATOM 0 HB VAL B 107 -7.207 1.614 2.465 1.00 0.00 H new ATOM 0 HG11 VAL B 107 -6.220 0.617 0.443 1.00 0.00 H new ATOM 0 HG12 VAL B 107 -5.792 -0.288 1.915 1.00 0.00 H new ATOM 0 HG13 VAL B 107 -7.038 -0.919 0.812 1.00 0.00 H new ATOM 0 HG21 VAL B 107 -8.342 1.805 0.285 1.00 0.00 H new ATOM 0 HG22 VAL B 107 -9.272 0.333 0.651 1.00 0.00 H new ATOM 0 HG23 VAL B 107 -9.495 1.795 1.641 1.00 0.00 H new ATOM 1670 N THR B 108 -8.189 -2.395 2.284 1.00 0.00 N ATOM 1671 CA THR B 108 -8.761 -3.623 1.744 1.00 0.00 C ATOM 1672 C THR B 108 -9.582 -4.342 2.810 1.00 0.00 C ATOM 1673 O THR B 108 -10.606 -4.958 2.510 1.00 0.00 O ATOM 1674 CB THR B 108 -7.674 -4.577 1.206 1.00 0.00 C ATOM 1675 OG1 THR B 108 -8.285 -5.683 0.532 1.00 0.00 O ATOM 1676 CG2 THR B 108 -6.797 -5.099 2.333 1.00 0.00 C ATOM 0 H THR B 108 -7.177 -2.417 2.406 1.00 0.00 H new ATOM 0 HA THR B 108 -9.406 -3.337 0.913 1.00 0.00 H new ATOM 0 HB THR B 108 -7.050 -4.017 0.509 1.00 0.00 H new ATOM 0 HG1 THR B 108 -7.589 -6.284 0.192 1.00 0.00 H new ATOM 0 HG21 THR B 108 -6.040 -5.769 1.925 1.00 0.00 H new ATOM 0 HG22 THR B 108 -6.309 -4.262 2.832 1.00 0.00 H new ATOM 0 HG23 THR B 108 -7.412 -5.641 3.051 1.00 0.00 H new ATOM 1684 N ALA B 109 -9.121 -4.257 4.057 1.00 0.00 N ATOM 1685 CA ALA B 109 -9.804 -4.895 5.177 1.00 0.00 C ATOM 1686 C ALA B 109 -11.219 -4.356 5.337 1.00 0.00 C ATOM 1687 O ALA B 109 -12.157 -5.110 5.585 1.00 0.00 O ATOM 1688 CB ALA B 109 -9.018 -4.689 6.463 1.00 0.00 C ATOM 0 H ALA B 109 -8.274 -3.750 4.316 1.00 0.00 H new ATOM 0 HA ALA B 109 -9.868 -5.963 4.967 1.00 0.00 H new ATOM 0 HB1 ALA B 109 -9.540 -5.171 7.290 1.00 0.00 H new ATOM 0 HB2 ALA B 109 -8.025 -5.126 6.357 1.00 0.00 H new ATOM 0 HB3 ALA B 109 -8.925 -3.622 6.665 1.00 0.00 H new ATOM 1694 N ARG B 110 -11.366 -3.043 5.197 1.00 0.00 N ATOM 1695 CA ARG B 110 -12.669 -2.401 5.325 1.00 0.00 C ATOM 1696 C ARG B 110 -13.452 -2.486 4.018 1.00 0.00 C ATOM 1697 O ARG B 110 -14.679 -2.533 4.025 1.00 0.00 O ATOM 1698 CB ARG B 110 -12.514 -0.936 5.750 1.00 0.00 C ATOM 1699 CG ARG B 110 -12.084 -0.754 7.200 1.00 0.00 C ATOM 1700 CD ARG B 110 -10.706 -1.342 7.462 1.00 0.00 C ATOM 1701 NE ARG B 110 -10.289 -1.174 8.853 1.00 0.00 N ATOM 1702 CZ ARG B 110 -10.088 0.008 9.428 1.00 0.00 C ATOM 1703 NH1 ARG B 110 -10.257 1.127 8.736 1.00 0.00 N ATOM 1704 NH2 ARG B 110 -9.713 0.071 10.698 1.00 0.00 N ATOM 0 H ARG B 110 -10.599 -2.402 4.995 1.00 0.00 H new ATOM 0 HA ARG B 110 -13.226 -2.933 6.097 1.00 0.00 H new ATOM 0 HB2 ARG B 110 -11.781 -0.456 5.101 1.00 0.00 H new ATOM 0 HB3 ARG B 110 -13.462 -0.421 5.596 1.00 0.00 H new ATOM 0 HG2 ARG B 110 -12.078 0.308 7.446 1.00 0.00 H new ATOM 0 HG3 ARG B 110 -12.812 -1.230 7.857 1.00 0.00 H new ATOM 0 HD2 ARG B 110 -10.712 -2.403 7.212 1.00 0.00 H new ATOM 0 HD3 ARG B 110 -9.978 -0.864 6.806 1.00 0.00 H new ATOM 0 HE ARG B 110 -10.144 -2.012 9.415 1.00 0.00 H new ATOM 0 HH11 ARG B 110 -10.543 1.083 7.758 1.00 0.00 H new ATOM 0 HH12 ARG B 110 -10.101 2.031 9.182 1.00 0.00 H new ATOM 0 HH21 ARG B 110 -9.579 -0.787 11.233 1.00 0.00 H new ATOM 0 HH22 ARG B 110 -9.559 0.977 11.140 1.00 0.00 H new ATOM 1718 N LEU B 111 -12.731 -2.494 2.900 1.00 0.00 N ATOM 1719 CA LEU B 111 -13.351 -2.561 1.579 1.00 0.00 C ATOM 1720 C LEU B 111 -14.314 -3.742 1.460 1.00 0.00 C ATOM 1721 O LEU B 111 -15.364 -3.629 0.828 1.00 0.00 O ATOM 1722 CB LEU B 111 -12.274 -2.635 0.490 1.00 0.00 C ATOM 1723 CG LEU B 111 -12.794 -2.832 -0.938 1.00 0.00 C ATOM 1724 CD1 LEU B 111 -13.755 -1.717 -1.312 1.00 0.00 C ATOM 1725 CD2 LEU B 111 -11.638 -2.887 -1.924 1.00 0.00 C ATOM 0 H LEU B 111 -11.712 -2.455 2.883 1.00 0.00 H new ATOM 0 HA LEU B 111 -13.935 -1.651 1.442 1.00 0.00 H new ATOM 0 HB2 LEU B 111 -11.687 -1.717 0.521 1.00 0.00 H new ATOM 0 HB3 LEU B 111 -11.597 -3.455 0.728 1.00 0.00 H new ATOM 0 HG LEU B 111 -13.330 -3.780 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -14.115 -1.873 -2.329 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -14.600 -1.719 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -13.241 -0.758 -1.252 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -12.027 -3.027 -2.933 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -11.076 -1.954 -1.878 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -10.982 -3.719 -1.669 1.00 0.00 H new ATOM 1737 N ARG B 112 -13.959 -4.870 2.068 1.00 0.00 N ATOM 1738 CA ARG B 112 -14.809 -6.058 2.019 1.00 0.00 C ATOM 1739 C ARG B 112 -16.198 -5.754 2.579 1.00 0.00 C ATOM 1740 O ARG B 112 -17.209 -6.194 2.031 1.00 0.00 O ATOM 1741 CB ARG B 112 -14.169 -7.210 2.799 1.00 0.00 C ATOM 1742 CG ARG B 112 -13.966 -6.908 4.274 1.00 0.00 C ATOM 1743 CD ARG B 112 -13.324 -8.075 5.005 1.00 0.00 C ATOM 1744 NE ARG B 112 -13.090 -7.773 6.415 1.00 0.00 N ATOM 1745 CZ ARG B 112 -12.558 -8.634 7.277 1.00 0.00 C ATOM 1746 NH1 ARG B 112 -12.212 -9.851 6.878 1.00 0.00 N ATOM 1747 NH2 ARG B 112 -12.373 -8.280 8.541 1.00 0.00 N ATOM 0 H ARG B 112 -13.095 -4.988 2.597 1.00 0.00 H new ATOM 0 HA ARG B 112 -14.913 -6.356 0.976 1.00 0.00 H new ATOM 0 HB2 ARG B 112 -14.796 -8.096 2.701 1.00 0.00 H new ATOM 0 HB3 ARG B 112 -13.205 -7.450 2.350 1.00 0.00 H new ATOM 0 HG2 ARG B 112 -13.339 -6.023 4.381 1.00 0.00 H new ATOM 0 HG3 ARG B 112 -14.927 -6.676 4.733 1.00 0.00 H new ATOM 0 HD2 ARG B 112 -13.966 -8.952 4.923 1.00 0.00 H new ATOM 0 HD3 ARG B 112 -12.378 -8.327 4.526 1.00 0.00 H new ATOM 0 HE ARG B 112 -13.350 -6.848 6.758 1.00 0.00 H new ATOM 0 HH11 ARG B 112 -12.354 -10.129 5.907 1.00 0.00 H new ATOM 0 HH12 ARG B 112 -11.804 -10.509 7.542 1.00 0.00 H new ATOM 0 HH21 ARG B 112 -12.639 -7.346 8.853 1.00 0.00 H new ATOM 0 HH22 ARG B 112 -11.965 -8.942 9.201 1.00 0.00 H new ATOM 1761 N GLU B 113 -16.237 -5.003 3.675 1.00 0.00 N ATOM 1762 CA GLU B 113 -17.499 -4.635 4.313 1.00 0.00 C ATOM 1763 C GLU B 113 -18.136 -3.437 3.613 1.00 0.00 C ATOM 1764 O GLU B 113 -19.358 -3.352 3.491 1.00 0.00 O ATOM 1765 CB GLU B 113 -17.268 -4.315 5.792 1.00 0.00 C ATOM 1766 CG GLU B 113 -18.533 -3.912 6.533 1.00 0.00 C ATOM 1767 CD GLU B 113 -18.282 -3.616 7.998 1.00 0.00 C ATOM 1768 OE1 GLU B 113 -17.481 -2.703 8.290 1.00 0.00 O ATOM 1769 OE2 GLU B 113 -18.884 -4.298 8.854 1.00 0.00 O ATOM 0 H GLU B 113 -15.408 -4.636 4.142 1.00 0.00 H new ATOM 0 HA GLU B 113 -18.181 -5.482 4.232 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -16.833 -5.187 6.280 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -16.538 -3.509 5.871 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -18.963 -3.031 6.057 1.00 0.00 H new ATOM 0 HG3 GLU B 113 -19.269 -4.711 6.449 1.00 0.00 H new ATOM 1776 N VAL B 114 -17.294 -2.513 3.164 1.00 0.00 N ATOM 1777 CA VAL B 114 -17.748 -1.306 2.482 1.00 0.00 C ATOM 1778 C VAL B 114 -18.694 -1.626 1.323 1.00 0.00 C ATOM 1779 O VAL B 114 -19.693 -0.937 1.124 1.00 0.00 O ATOM 1780 CB VAL B 114 -16.542 -0.476 1.989 1.00 0.00 C ATOM 1781 CG1 VAL B 114 -16.892 0.385 0.796 1.00 0.00 C ATOM 1782 CG2 VAL B 114 -16.016 0.394 3.111 1.00 0.00 C ATOM 0 H VAL B 114 -16.281 -2.579 3.262 1.00 0.00 H new ATOM 0 HA VAL B 114 -18.310 -0.714 3.205 1.00 0.00 H new ATOM 0 HB VAL B 114 -15.771 -1.179 1.674 1.00 0.00 H new ATOM 0 HG11 VAL B 114 -16.013 0.950 0.485 1.00 0.00 H new ATOM 0 HG12 VAL B 114 -17.225 -0.249 -0.025 1.00 0.00 H new ATOM 0 HG13 VAL B 114 -17.690 1.076 1.068 1.00 0.00 H new ATOM 0 HG21 VAL B 114 -15.166 0.975 2.753 1.00 0.00 H new ATOM 0 HG22 VAL B 114 -16.802 1.070 3.446 1.00 0.00 H new ATOM 0 HG23 VAL B 114 -15.700 -0.236 3.943 1.00 0.00 H new ATOM 1792 N GLU B 115 -18.388 -2.672 0.568 1.00 0.00 N ATOM 1793 CA GLU B 115 -19.240 -3.068 -0.551 1.00 0.00 C ATOM 1794 C GLU B 115 -20.548 -3.664 -0.047 1.00 0.00 C ATOM 1795 O GLU B 115 -21.604 -3.475 -0.653 1.00 0.00 O ATOM 1796 CB GLU B 115 -18.517 -4.068 -1.453 1.00 0.00 C ATOM 1797 CG GLU B 115 -17.861 -5.208 -0.691 1.00 0.00 C ATOM 1798 CD GLU B 115 -17.137 -6.182 -1.599 1.00 0.00 C ATOM 1799 OE1 GLU B 115 -16.210 -5.751 -2.315 1.00 0.00 O ATOM 1800 OE2 GLU B 115 -17.497 -7.378 -1.593 1.00 0.00 O ATOM 0 H GLU B 115 -17.565 -3.258 0.706 1.00 0.00 H new ATOM 0 HA GLU B 115 -19.467 -2.176 -1.135 1.00 0.00 H new ATOM 0 HB2 GLU B 115 -19.229 -4.481 -2.168 1.00 0.00 H new ATOM 0 HB3 GLU B 115 -17.756 -3.541 -2.029 1.00 0.00 H new ATOM 0 HG2 GLU B 115 -17.155 -4.797 0.031 1.00 0.00 H new ATOM 0 HG3 GLU B 115 -18.621 -5.744 -0.123 1.00 0.00 H new ATOM 1807 N HIS B 116 -20.467 -4.390 1.062 1.00 0.00 N ATOM 1808 CA HIS B 116 -21.636 -5.026 1.651 1.00 0.00 C ATOM 1809 C HIS B 116 -22.658 -3.994 2.127 1.00 0.00 C ATOM 1810 O HIS B 116 -23.821 -4.035 1.727 1.00 0.00 O ATOM 1811 CB HIS B 116 -21.213 -5.918 2.819 1.00 0.00 C ATOM 1812 CG HIS B 116 -22.338 -6.705 3.415 1.00 0.00 C ATOM 1813 ND1 HIS B 116 -23.078 -7.620 2.697 1.00 0.00 N ATOM 1814 CD2 HIS B 116 -22.845 -6.715 4.671 1.00 0.00 C ATOM 1815 CE1 HIS B 116 -23.992 -8.158 3.485 1.00 0.00 C ATOM 1816 NE2 HIS B 116 -23.872 -7.627 4.687 1.00 0.00 N ATOM 0 H HIS B 116 -19.599 -4.552 1.572 1.00 0.00 H new ATOM 0 HA HIS B 116 -22.109 -5.634 0.880 1.00 0.00 H new ATOM 0 HB2 HIS B 116 -20.441 -6.607 2.477 1.00 0.00 H new ATOM 0 HB3 HIS B 116 -20.765 -5.297 3.595 1.00 0.00 H new ATOM 0 HD2 HIS B 116 -22.505 -6.118 5.504 1.00 0.00 H new ATOM 0 HE1 HIS B 116 -24.715 -8.906 3.194 1.00 0.00 H new ATOM 0 HE2 HIS B 116 -24.448 -7.857 5.497 1.00 0.00 H new ATOM 1825 N ARG B 117 -22.219 -3.071 2.984 1.00 0.00 N ATOM 1826 CA ARG B 117 -23.106 -2.034 3.517 1.00 0.00 C ATOM 1827 C ARG B 117 -22.324 -0.780 3.906 1.00 0.00 C ATOM 1828 O ARG B 117 -22.516 -0.232 4.992 1.00 0.00 O ATOM 1829 CB ARG B 117 -23.864 -2.557 4.743 1.00 0.00 C ATOM 1830 CG ARG B 117 -24.747 -3.761 4.457 1.00 0.00 C ATOM 1831 CD ARG B 117 -25.449 -4.248 5.714 1.00 0.00 C ATOM 1832 NE ARG B 117 -26.265 -5.431 5.458 1.00 0.00 N ATOM 1833 CZ ARG B 117 -26.978 -6.052 6.394 1.00 0.00 C ATOM 1834 NH1 ARG B 117 -26.976 -5.600 7.641 1.00 0.00 N ATOM 1835 NH2 ARG B 117 -27.691 -7.125 6.082 1.00 0.00 N ATOM 0 H ARG B 117 -21.258 -3.020 3.323 1.00 0.00 H new ATOM 0 HA ARG B 117 -23.815 -1.774 2.731 1.00 0.00 H new ATOM 0 HB2 ARG B 117 -23.144 -2.823 5.516 1.00 0.00 H new ATOM 0 HB3 ARG B 117 -24.481 -1.754 5.145 1.00 0.00 H new ATOM 0 HG2 ARG B 117 -25.489 -3.498 3.703 1.00 0.00 H new ATOM 0 HG3 ARG B 117 -24.142 -4.567 4.042 1.00 0.00 H new ATOM 0 HD2 ARG B 117 -24.707 -4.477 6.479 1.00 0.00 H new ATOM 0 HD3 ARG B 117 -26.079 -3.451 6.110 1.00 0.00 H new ATOM 0 HE ARG B 117 -26.290 -5.802 4.508 1.00 0.00 H new ATOM 0 HH11 ARG B 117 -26.427 -4.775 7.884 1.00 0.00 H new ATOM 0 HH12 ARG B 117 -27.523 -6.077 8.357 1.00 0.00 H new ATOM 0 HH21 ARG B 117 -27.693 -7.475 5.124 1.00 0.00 H new ATOM 0 HH22 ARG B 117 -28.237 -7.601 6.800 1.00 0.00 H new ATOM 1849 N ALA B 118 -21.449 -0.330 3.014 1.00 0.00 N ATOM 1850 CA ALA B 118 -20.642 0.862 3.262 1.00 0.00 C ATOM 1851 C ALA B 118 -19.858 0.736 4.567 1.00 0.00 C ATOM 1852 O ALA B 118 -19.377 -0.344 4.910 1.00 0.00 O ATOM 1853 CB ALA B 118 -21.527 2.099 3.284 1.00 0.00 C ATOM 0 H ALA B 118 -21.279 -0.772 2.111 1.00 0.00 H new ATOM 0 HA ALA B 118 -19.921 0.961 2.451 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -20.915 2.981 3.470 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -22.031 2.203 2.323 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -22.270 2.000 4.075 1.00 0.00 H new ATOM 1859 N GLY B 119 -19.732 1.846 5.294 1.00 0.00 N ATOM 1860 CA GLY B 119 -19.009 1.831 6.551 1.00 0.00 C ATOM 1861 C GLY B 119 -19.631 0.895 7.567 1.00 0.00 C ATOM 1862 O GLY B 119 -18.926 0.145 8.244 1.00 0.00 O ATOM 0 H GLY B 119 -20.118 2.753 5.033 1.00 0.00 H new ATOM 0 HA2 GLY B 119 -17.977 1.531 6.369 1.00 0.00 H new ATOM 0 HA3 GLY B 119 -18.980 2.840 6.962 1.00 0.00 H new ATOM 1866 N GLU B 120 -20.955 0.937 7.672 1.00 0.00 N ATOM 1867 CA GLU B 120 -21.678 0.087 8.610 1.00 0.00 C ATOM 1868 C GLU B 120 -21.441 -1.389 8.302 1.00 0.00 C ATOM 1869 O GLU B 120 -21.070 -2.134 9.233 1.00 0.00 O ATOM 1870 CB GLU B 120 -23.175 0.396 8.561 1.00 0.00 C ATOM 1871 CG GLU B 120 -23.515 1.826 8.952 1.00 0.00 C ATOM 1872 CD GLU B 120 -25.001 2.117 8.873 1.00 0.00 C ATOM 1873 OE1 GLU B 120 -25.762 1.220 8.455 1.00 0.00 O ATOM 1874 OE2 GLU B 120 -25.404 3.246 9.225 1.00 0.00 O ATOM 1875 OXT GLU B 120 -21.629 -1.785 7.133 1.00 0.00 O ATOM 0 H GLU B 120 -21.550 1.552 7.117 1.00 0.00 H new ATOM 0 HA GLU B 120 -21.304 0.295 9.612 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -23.544 0.206 7.553 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -23.701 -0.289 9.227 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -23.166 2.013 9.967 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -22.979 2.514 8.298 1.00 0.00 H new TER 1882 GLU B 120