USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 895 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 ASN : amide:sc= -0.0373 K(o=-7,f=-1.1) USER MOD Set 1.2: A 119 GLN : amide:sc= -6.96! K(o=-7!,f=-1.1) USER MOD Set 2.1: A 104 THR OG1 : rot 180:sc= -0.329 USER MOD Set 2.2: A 105 ASN : amide:sc= -1.12 K(o=-1.4,f=-10!) USER MOD Set 3.1: A 71 ASN : amide:sc= -0.337 K(o=0.1,f=-0.67) USER MOD Set 3.2: A 74 THR OG1 : rot -29:sc= 0.441 USER MOD Set 4.1: A 10 TYR OH : rot -120:sc= 0.0185 USER MOD Set 4.2: A 12 TYR OH : rot -111:sc= 0.0371 USER MOD Single : A 1 GLU N :NH3+ -162:sc= 0.0675 (180deg=-0.378) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0656 USER MOD Single : A 11 HIS : no HE2:sc= -0.122 K(o=-0.12,f=-0.69) USER MOD Single : A 13 TYR OH : rot 180:sc= -0.185 USER MOD Single : A 17 GLN : amide:sc= -0.448 X(o=-0.45,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.494 K(o=-0.49,f=-1.1) USER MOD Single : A 19 ASN : amide:sc= -1.85! C(o=-1.9!,f=-3.2!) USER MOD Single : A 28 SER OG : rot 64:sc= 1.15 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -112:sc= -0.0148 USER MOD Single : A 38 LYS NZ :NH3+ -123:sc= 0.4! (180deg=-0.613!) USER MOD Single : A 41 SER OG : rot 180:sc= 0.00731 USER MOD Single : A 44 SER OG : rot 180:sc= -0.0826 USER MOD Single : A 45 LYS NZ :NH3+ -129:sc= 0.139! (180deg=-0.634!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -63:sc= 1.2 USER MOD Single : A 60 GLN : amide:sc= -0.305 X(o=-0.31,f=-0.0033) USER MOD Single : A 65 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.388) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0489 USER MOD Single : A 77 GLN : amide:sc= -0.799 K(o=-0.8,f=-2.2!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -1.53 K(o=-1.5,f=-2.3!) USER MOD Single : A 88 ASN : amide:sc= -2.37 K(o=-2.4,f=-0.34) USER MOD Single : A 97 THR OG1 : rot -138:sc= -0.178 USER MOD Single : A 100 THR OG1 : rot -111:sc= 0.0604! USER MOD Single : A 101 LYS NZ :NH3+ 132:sc= 0.413 (180deg=-2.44!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.103 K(o=-0.1,f=-2) USER MOD Single : A 111 GLN : amide:sc= 0.433 X(o=0.43,f=0) USER MOD Single : A 113 HIS : no HD1:sc= -0.246 X(o=-0.25,f=-0.0036) USER MOD Single : A 115 ASN : amide:sc= -2.56! C(o=-2.6!,f=-8!) USER MOD Single : A 117 ASN : amide:sc= 0.735 K(o=0.73,f=-6.9!) USER MOD Single : A 118 TYR OH : rot -1:sc= 0.323 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.917 12.647 0.963 1.00 0.00 N ATOM 2 CA GLU A 1 1.866 12.987 -0.504 1.00 0.00 C ATOM 3 C GLU A 1 3.230 12.993 -1.276 1.00 0.00 C ATOM 4 O GLU A 1 3.299 12.542 -2.406 1.00 0.00 O ATOM 5 CB GLU A 1 1.185 14.389 -0.664 1.00 0.00 C ATOM 6 CG GLU A 1 -0.172 14.430 0.147 1.00 0.00 C ATOM 7 CD GLU A 1 -1.116 15.561 -0.304 1.00 0.00 C ATOM 8 OE1 GLU A 1 -0.756 16.359 -1.150 1.00 0.00 O ATOM 9 OE2 GLU A 1 -2.210 15.559 0.227 1.00 0.00 O ATOM 0 H1 GLU A 1 0.967 12.378 1.290 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.573 11.854 1.113 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.246 13.475 1.500 1.00 0.00 H new ATOM 0 HA GLU A 1 1.300 12.175 -0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.855 15.170 -0.306 1.00 0.00 H new ATOM 0 HB3 GLU A 1 0.994 14.591 -1.718 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -0.683 13.474 0.036 1.00 0.00 H new ATOM 0 HG3 GLU A 1 0.050 14.552 1.207 1.00 0.00 H new ATOM 18 N GLN A 2 4.276 13.514 -0.680 1.00 0.00 N ATOM 19 CA GLN A 2 5.613 13.546 -1.371 1.00 0.00 C ATOM 20 C GLN A 2 6.791 13.088 -0.460 1.00 0.00 C ATOM 21 O GLN A 2 7.088 13.791 0.486 1.00 0.00 O ATOM 22 CB GLN A 2 5.780 15.026 -1.886 1.00 0.00 C ATOM 23 CG GLN A 2 4.697 15.306 -2.988 1.00 0.00 C ATOM 24 CD GLN A 2 4.890 16.655 -3.677 1.00 0.00 C ATOM 25 OE1 GLN A 2 5.890 16.922 -4.303 1.00 0.00 O ATOM 26 NE2 GLN A 2 3.971 17.565 -3.612 1.00 0.00 N ATOM 0 H GLN A 2 4.266 13.920 0.256 1.00 0.00 H new ATOM 0 HA GLN A 2 5.643 12.831 -2.193 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.667 15.728 -1.060 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.780 15.173 -2.294 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.732 14.513 -3.735 1.00 0.00 H new ATOM 0 HG3 GLN A 2 3.706 15.273 -2.534 1.00 0.00 H new ATOM 0 HE21 GLN A 2 3.110 17.385 -3.095 1.00 0.00 H new ATOM 0 HE22 GLN A 2 4.108 18.462 -4.078 1.00 0.00 H new ATOM 35 N ALA A 3 7.430 11.961 -0.724 1.00 0.00 N ATOM 36 CA ALA A 3 8.569 11.530 0.163 1.00 0.00 C ATOM 37 C ALA A 3 9.701 10.784 -0.594 1.00 0.00 C ATOM 38 O ALA A 3 9.469 10.093 -1.569 1.00 0.00 O ATOM 39 CB ALA A 3 7.974 10.646 1.257 1.00 0.00 C ATOM 0 H ALA A 3 7.217 11.334 -1.499 1.00 0.00 H new ATOM 0 HA ALA A 3 9.047 12.418 0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.767 10.310 1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.238 11.215 1.825 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.491 9.781 0.803 1.00 0.00 H new ATOM 45 N ASN A 4 10.908 10.937 -0.116 1.00 0.00 N ATOM 46 CA ASN A 4 12.082 10.265 -0.774 1.00 0.00 C ATOM 47 C ASN A 4 13.035 9.489 0.164 1.00 0.00 C ATOM 48 O ASN A 4 13.032 9.638 1.375 1.00 0.00 O ATOM 49 CB ASN A 4 12.809 11.392 -1.571 1.00 0.00 C ATOM 50 CG ASN A 4 12.560 12.731 -0.904 1.00 0.00 C ATOM 51 OD1 ASN A 4 13.136 13.094 0.093 1.00 0.00 O ATOM 52 ND2 ASN A 4 11.674 13.526 -1.414 1.00 0.00 N ATOM 0 H ASN A 4 11.138 11.499 0.704 1.00 0.00 H new ATOM 0 HA ASN A 4 11.719 9.462 -1.416 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.879 11.189 -1.613 1.00 0.00 H new ATOM 0 HB3 ASN A 4 12.448 11.414 -2.599 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.483 14.426 -0.974 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.168 13.252 -2.256 1.00 0.00 H new ATOM 59 N ASP A 5 13.824 8.675 -0.486 1.00 0.00 N ATOM 60 CA ASP A 5 14.842 7.785 0.141 1.00 0.00 C ATOM 61 C ASP A 5 14.211 7.230 1.442 1.00 0.00 C ATOM 62 O ASP A 5 14.721 7.293 2.551 1.00 0.00 O ATOM 63 CB ASP A 5 16.054 8.748 0.247 1.00 0.00 C ATOM 64 CG ASP A 5 16.370 9.376 -1.146 1.00 0.00 C ATOM 65 OD1 ASP A 5 15.825 8.932 -2.146 1.00 0.00 O ATOM 66 OD2 ASP A 5 17.169 10.292 -1.128 1.00 0.00 O ATOM 0 H ASP A 5 13.797 8.589 -1.502 1.00 0.00 H new ATOM 0 HA ASP A 5 15.168 6.880 -0.372 1.00 0.00 H new ATOM 0 HB2 ASP A 5 15.839 9.536 0.968 1.00 0.00 H new ATOM 0 HB3 ASP A 5 16.926 8.207 0.616 1.00 0.00 H new ATOM 71 N VAL A 6 13.057 6.667 1.172 1.00 0.00 N ATOM 72 CA VAL A 6 12.220 6.064 2.244 1.00 0.00 C ATOM 73 C VAL A 6 12.364 4.533 2.270 1.00 0.00 C ATOM 74 O VAL A 6 12.281 3.860 1.257 1.00 0.00 O ATOM 75 CB VAL A 6 10.731 6.457 1.992 1.00 0.00 C ATOM 76 CG1 VAL A 6 9.878 6.084 3.217 1.00 0.00 C ATOM 77 CG2 VAL A 6 10.555 7.975 1.777 1.00 0.00 C ATOM 0 H VAL A 6 12.658 6.602 0.236 1.00 0.00 H new ATOM 0 HA VAL A 6 12.553 6.442 3.211 1.00 0.00 H new ATOM 0 HB VAL A 6 10.418 5.921 1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.840 6.361 3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.942 5.010 3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.247 6.617 4.093 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.502 8.199 1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.900 8.510 2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.138 8.290 0.912 1.00 0.00 H new ATOM 87 N ARG A 7 12.564 4.044 3.468 1.00 0.00 N ATOM 88 CA ARG A 7 12.732 2.579 3.724 1.00 0.00 C ATOM 89 C ARG A 7 11.321 1.958 3.584 1.00 0.00 C ATOM 90 O ARG A 7 10.623 1.770 4.560 1.00 0.00 O ATOM 91 CB ARG A 7 13.302 2.421 5.163 1.00 0.00 C ATOM 92 CG ARG A 7 14.590 3.277 5.380 1.00 0.00 C ATOM 93 CD ARG A 7 15.069 3.058 6.848 1.00 0.00 C ATOM 94 NE ARG A 7 16.253 3.943 7.222 1.00 0.00 N ATOM 95 CZ ARG A 7 16.656 4.942 6.523 1.00 0.00 C ATOM 96 NH1 ARG A 7 17.051 4.756 5.331 1.00 0.00 N ATOM 97 NH2 ARG A 7 16.645 6.087 7.073 1.00 0.00 N ATOM 0 H ARG A 7 12.620 4.620 4.308 1.00 0.00 H new ATOM 0 HA ARG A 7 13.416 2.084 3.034 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.544 2.717 5.888 1.00 0.00 H new ATOM 0 HB3 ARG A 7 13.529 1.371 5.350 1.00 0.00 H new ATOM 0 HG2 ARG A 7 15.368 2.981 4.677 1.00 0.00 H new ATOM 0 HG3 ARG A 7 14.382 4.332 5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.242 3.259 7.529 1.00 0.00 H new ATOM 0 HD3 ARG A 7 15.346 2.012 6.983 1.00 0.00 H new ATOM 0 HE ARG A 7 16.757 3.728 8.082 1.00 0.00 H new ATOM 0 HH11 ARG A 7 17.047 3.817 4.933 1.00 0.00 H new ATOM 0 HH12 ARG A 7 17.372 5.546 4.771 1.00 0.00 H new ATOM 0 HH21 ARG A 7 16.324 6.187 8.036 1.00 0.00 H new ATOM 0 HH22 ARG A 7 16.957 6.906 6.552 1.00 0.00 H new ATOM 111 N ALA A 8 10.942 1.661 2.374 1.00 0.00 N ATOM 112 CA ALA A 8 9.591 1.082 2.145 1.00 0.00 C ATOM 113 C ALA A 8 9.492 -0.444 2.364 1.00 0.00 C ATOM 114 O ALA A 8 10.314 -1.221 1.916 1.00 0.00 O ATOM 115 CB ALA A 8 9.199 1.457 0.685 1.00 0.00 C ATOM 0 H ALA A 8 11.508 1.794 1.536 1.00 0.00 H new ATOM 0 HA ALA A 8 8.907 1.495 2.886 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.211 1.056 0.459 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.183 2.542 0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.928 1.036 -0.007 1.00 0.00 H new ATOM 121 N THR A 9 8.475 -0.827 3.087 1.00 0.00 N ATOM 122 CA THR A 9 8.249 -2.284 3.369 1.00 0.00 C ATOM 123 C THR A 9 7.518 -2.783 2.104 1.00 0.00 C ATOM 124 O THR A 9 7.325 -2.015 1.181 1.00 0.00 O ATOM 125 CB THR A 9 7.350 -2.443 4.652 1.00 0.00 C ATOM 126 OG1 THR A 9 6.472 -1.333 4.740 1.00 0.00 O ATOM 127 CG2 THR A 9 8.175 -2.234 5.899 1.00 0.00 C ATOM 0 H THR A 9 7.786 -0.197 3.498 1.00 0.00 H new ATOM 0 HA THR A 9 9.164 -2.843 3.566 1.00 0.00 H new ATOM 0 HB THR A 9 6.873 -3.421 4.582 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.907 -1.425 5.536 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.541 -2.347 6.778 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.977 -2.972 5.933 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.604 -1.232 5.888 1.00 0.00 H new ATOM 135 N TYR A 10 7.141 -4.026 2.026 1.00 0.00 N ATOM 136 CA TYR A 10 6.424 -4.463 0.774 1.00 0.00 C ATOM 137 C TYR A 10 5.316 -5.483 1.069 1.00 0.00 C ATOM 138 O TYR A 10 5.321 -6.606 0.587 1.00 0.00 O ATOM 139 CB TYR A 10 7.495 -5.036 -0.218 1.00 0.00 C ATOM 140 CG TYR A 10 7.951 -6.463 0.140 1.00 0.00 C ATOM 141 CD1 TYR A 10 8.319 -6.812 1.416 1.00 0.00 C ATOM 142 CD2 TYR A 10 7.975 -7.436 -0.835 1.00 0.00 C ATOM 143 CE1 TYR A 10 8.697 -8.106 1.709 1.00 0.00 C ATOM 144 CE2 TYR A 10 8.355 -8.723 -0.540 1.00 0.00 C ATOM 145 CZ TYR A 10 8.716 -9.066 0.727 1.00 0.00 C ATOM 146 OH TYR A 10 9.078 -10.369 0.981 1.00 0.00 O ATOM 0 H TYR A 10 7.285 -4.742 2.738 1.00 0.00 H new ATOM 0 HA TYR A 10 5.920 -3.608 0.323 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.083 -5.035 -1.227 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.362 -4.376 -0.227 1.00 0.00 H new ATOM 0 HD1 TYR A 10 8.312 -6.067 2.197 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.691 -7.183 -1.846 1.00 0.00 H new ATOM 0 HE1 TYR A 10 8.980 -8.366 2.718 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.367 -9.469 -1.320 1.00 0.00 H new ATOM 0 HH TYR A 10 9.856 -10.605 0.434 1.00 0.00 H new ATOM 156 N HIS A 11 4.330 -5.100 1.842 1.00 0.00 N ATOM 157 CA HIS A 11 3.299 -6.161 2.079 1.00 0.00 C ATOM 158 C HIS A 11 2.395 -5.787 0.946 1.00 0.00 C ATOM 159 O HIS A 11 1.585 -4.874 1.024 1.00 0.00 O ATOM 160 CB HIS A 11 2.492 -6.071 3.395 1.00 0.00 C ATOM 161 CG HIS A 11 1.629 -7.338 3.480 1.00 0.00 C ATOM 162 ND1 HIS A 11 2.061 -8.547 3.589 1.00 0.00 N ATOM 163 CD2 HIS A 11 0.255 -7.482 3.456 1.00 0.00 C ATOM 164 CE1 HIS A 11 1.062 -9.378 3.633 1.00 0.00 C ATOM 165 NE2 HIS A 11 -0.082 -8.750 3.559 1.00 0.00 N ATOM 0 H HIS A 11 4.195 -4.190 2.283 1.00 0.00 H new ATOM 0 HA HIS A 11 3.729 -7.160 2.142 1.00 0.00 H new ATOM 0 HB2 HIS A 11 3.160 -6.001 4.253 1.00 0.00 H new ATOM 0 HB3 HIS A 11 1.867 -5.178 3.404 1.00 0.00 H new ATOM 0 HD1 HIS A 11 3.044 -8.814 3.634 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.446 -6.666 3.365 1.00 0.00 H new ATOM 0 HE1 HIS A 11 1.164 -10.450 3.720 1.00 0.00 H new ATOM 173 N TYR A 12 2.733 -6.576 -0.039 1.00 0.00 N ATOM 174 CA TYR A 12 2.120 -6.591 -1.359 1.00 0.00 C ATOM 175 C TYR A 12 0.947 -7.534 -1.295 1.00 0.00 C ATOM 176 O TYR A 12 1.028 -8.718 -1.574 1.00 0.00 O ATOM 177 CB TYR A 12 3.164 -7.068 -2.408 1.00 0.00 C ATOM 178 CG TYR A 12 4.028 -8.287 -2.028 1.00 0.00 C ATOM 179 CD1 TYR A 12 3.771 -9.095 -0.931 1.00 0.00 C ATOM 180 CD2 TYR A 12 5.125 -8.568 -2.825 1.00 0.00 C ATOM 181 CE1 TYR A 12 4.595 -10.154 -0.639 1.00 0.00 C ATOM 182 CE2 TYR A 12 5.951 -9.639 -2.523 1.00 0.00 C ATOM 183 CZ TYR A 12 5.676 -10.425 -1.425 1.00 0.00 C ATOM 184 OH TYR A 12 6.468 -11.490 -1.070 1.00 0.00 O ATOM 0 H TYR A 12 3.480 -7.264 0.053 1.00 0.00 H new ATOM 0 HA TYR A 12 1.782 -5.598 -1.655 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.634 -7.302 -3.331 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.831 -6.234 -2.626 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.917 -8.890 -0.302 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.338 -7.950 -3.685 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.386 -10.776 0.219 1.00 0.00 H new ATOM 0 HE2 TYR A 12 6.806 -9.857 -3.145 1.00 0.00 H new ATOM 0 HH TYR A 12 7.335 -11.161 -0.754 1.00 0.00 H new ATOM 194 N TYR A 13 -0.138 -6.955 -0.895 1.00 0.00 N ATOM 195 CA TYR A 13 -1.348 -7.783 -0.801 1.00 0.00 C ATOM 196 C TYR A 13 -1.685 -8.162 -2.263 1.00 0.00 C ATOM 197 O TYR A 13 -1.244 -7.517 -3.214 1.00 0.00 O ATOM 198 CB TYR A 13 -2.480 -6.963 -0.166 1.00 0.00 C ATOM 199 CG TYR A 13 -3.409 -7.936 0.527 1.00 0.00 C ATOM 200 CD1 TYR A 13 -2.917 -8.671 1.581 1.00 0.00 C ATOM 201 CD2 TYR A 13 -4.712 -8.111 0.111 1.00 0.00 C ATOM 202 CE1 TYR A 13 -3.724 -9.582 2.211 1.00 0.00 C ATOM 203 CE2 TYR A 13 -5.523 -9.025 0.744 1.00 0.00 C ATOM 204 CZ TYR A 13 -5.022 -9.760 1.791 1.00 0.00 C ATOM 205 OH TYR A 13 -5.802 -10.707 2.391 1.00 0.00 O ATOM 0 H TYR A 13 -0.237 -5.973 -0.637 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.211 -8.670 -0.182 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.079 -6.242 0.546 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.016 -6.396 -0.927 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.898 -8.530 1.911 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.097 -7.529 -0.714 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.341 -10.161 3.038 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.544 -9.163 0.421 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.692 -10.706 1.980 1.00 0.00 H new ATOM 215 N ARG A 14 -2.489 -9.213 -2.314 1.00 0.00 N ATOM 216 CA ARG A 14 -2.983 -9.832 -3.607 1.00 0.00 C ATOM 217 C ARG A 14 -4.436 -9.449 -4.130 1.00 0.00 C ATOM 218 O ARG A 14 -5.391 -9.521 -3.376 1.00 0.00 O ATOM 219 CB ARG A 14 -2.896 -11.397 -3.452 1.00 0.00 C ATOM 220 CG ARG A 14 -3.865 -11.918 -2.375 1.00 0.00 C ATOM 221 CD ARG A 14 -3.185 -12.132 -1.033 1.00 0.00 C ATOM 222 NE ARG A 14 -4.253 -11.843 -0.027 1.00 0.00 N ATOM 223 CZ ARG A 14 -5.231 -12.630 0.206 1.00 0.00 C ATOM 224 NH1 ARG A 14 -6.239 -12.554 -0.573 1.00 0.00 N ATOM 225 NH2 ARG A 14 -5.139 -13.429 1.191 1.00 0.00 N ATOM 0 H ARG A 14 -2.837 -9.685 -1.479 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.330 -9.409 -4.371 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -3.125 -11.870 -4.407 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.876 -11.681 -3.192 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.684 -11.209 -2.254 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.304 -12.858 -2.710 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.811 -13.151 -0.935 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.331 -11.466 -0.909 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.197 -10.972 0.501 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.240 -11.884 -1.343 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.044 -13.163 -0.426 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.300 -13.429 1.771 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.905 -14.069 1.401 1.00 0.00 H new ATOM 239 N PRO A 15 -4.533 -9.061 -5.401 1.00 0.00 N ATOM 240 CA PRO A 15 -5.800 -8.684 -6.150 1.00 0.00 C ATOM 241 C PRO A 15 -6.546 -9.745 -7.037 1.00 0.00 C ATOM 242 O PRO A 15 -7.563 -10.302 -6.665 1.00 0.00 O ATOM 243 CB PRO A 15 -5.282 -7.482 -6.930 1.00 0.00 C ATOM 244 CG PRO A 15 -3.868 -7.903 -7.408 1.00 0.00 C ATOM 245 CD PRO A 15 -3.354 -8.870 -6.308 1.00 0.00 C ATOM 0 HA PRO A 15 -6.628 -8.525 -5.459 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.932 -7.247 -7.773 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.239 -6.591 -6.303 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.908 -8.394 -8.380 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.212 -7.039 -7.514 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.023 -9.817 -6.734 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.504 -8.447 -5.772 1.00 0.00 H new ATOM 253 N ALA A 16 -5.972 -9.952 -8.207 1.00 0.00 N ATOM 254 CA ALA A 16 -6.442 -10.909 -9.276 1.00 0.00 C ATOM 255 C ALA A 16 -7.097 -12.151 -8.657 1.00 0.00 C ATOM 256 O ALA A 16 -8.156 -12.553 -9.088 1.00 0.00 O ATOM 257 CB ALA A 16 -5.194 -11.253 -10.147 1.00 0.00 C ATOM 0 H ALA A 16 -5.127 -9.452 -8.482 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.215 -10.462 -9.901 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.482 -11.945 -10.938 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.797 -10.340 -10.591 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.430 -11.714 -9.522 1.00 0.00 H new ATOM 263 N GLN A 17 -6.424 -12.711 -7.675 1.00 0.00 N ATOM 264 CA GLN A 17 -6.913 -13.929 -6.930 1.00 0.00 C ATOM 265 C GLN A 17 -8.437 -13.834 -6.647 1.00 0.00 C ATOM 266 O GLN A 17 -9.157 -14.794 -6.807 1.00 0.00 O ATOM 267 CB GLN A 17 -6.098 -14.034 -5.599 1.00 0.00 C ATOM 268 CG GLN A 17 -4.657 -14.642 -5.828 1.00 0.00 C ATOM 269 CD GLN A 17 -4.639 -16.162 -6.077 1.00 0.00 C ATOM 270 OE1 GLN A 17 -3.608 -16.760 -6.287 1.00 0.00 O ATOM 271 NE2 GLN A 17 -5.732 -16.852 -6.066 1.00 0.00 N ATOM 0 H GLN A 17 -5.523 -12.363 -7.346 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.761 -14.824 -7.533 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.006 -13.044 -5.152 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.644 -14.655 -4.889 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.196 -14.141 -6.679 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.040 -14.422 -4.957 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.625 -16.390 -5.893 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.702 -17.858 -6.230 1.00 0.00 H new ATOM 280 N ASN A 18 -8.889 -12.677 -6.231 1.00 0.00 N ATOM 281 CA ASN A 18 -10.332 -12.451 -5.931 1.00 0.00 C ATOM 282 C ASN A 18 -10.963 -11.540 -7.016 1.00 0.00 C ATOM 283 O ASN A 18 -11.863 -10.792 -6.745 1.00 0.00 O ATOM 284 CB ASN A 18 -10.388 -11.804 -4.534 1.00 0.00 C ATOM 285 CG ASN A 18 -11.811 -11.742 -4.040 1.00 0.00 C ATOM 286 OD1 ASN A 18 -12.495 -10.760 -4.197 1.00 0.00 O ATOM 287 ND2 ASN A 18 -12.292 -12.786 -3.443 1.00 0.00 N ATOM 0 H ASN A 18 -8.298 -11.858 -6.084 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.902 -13.380 -5.938 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -9.779 -12.378 -3.836 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -9.966 -10.800 -4.574 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.254 -12.781 -3.103 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.709 -13.613 -3.313 1.00 0.00 H new ATOM 294 N ASN A 19 -10.512 -11.601 -8.241 1.00 0.00 N ATOM 295 CA ASN A 19 -11.084 -10.738 -9.338 1.00 0.00 C ATOM 296 C ASN A 19 -11.330 -9.260 -8.867 1.00 0.00 C ATOM 297 O ASN A 19 -12.155 -8.534 -9.388 1.00 0.00 O ATOM 298 CB ASN A 19 -12.386 -11.455 -9.747 1.00 0.00 C ATOM 299 CG ASN A 19 -12.872 -11.058 -11.117 1.00 0.00 C ATOM 300 OD1 ASN A 19 -12.679 -9.974 -11.607 1.00 0.00 O ATOM 301 ND2 ASN A 19 -13.536 -11.910 -11.813 1.00 0.00 N ATOM 0 H ASN A 19 -9.759 -12.220 -8.541 1.00 0.00 H new ATOM 0 HA ASN A 19 -10.398 -10.632 -10.178 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -12.224 -12.533 -9.723 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.162 -11.233 -9.014 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -13.876 -11.656 -12.741 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -13.723 -12.840 -11.438 1.00 0.00 H new ATOM 308 N TRP A 20 -10.581 -8.845 -7.875 1.00 0.00 N ATOM 309 CA TRP A 20 -10.712 -7.455 -7.313 1.00 0.00 C ATOM 310 C TRP A 20 -12.179 -7.230 -6.920 1.00 0.00 C ATOM 311 O TRP A 20 -12.643 -6.108 -6.898 1.00 0.00 O ATOM 312 CB TRP A 20 -10.335 -6.349 -8.369 1.00 0.00 C ATOM 313 CG TRP A 20 -8.909 -6.455 -8.909 1.00 0.00 C ATOM 314 CD1 TRP A 20 -8.359 -7.639 -9.205 1.00 0.00 C ATOM 315 CD2 TRP A 20 -8.040 -5.462 -9.197 1.00 0.00 C ATOM 316 NE1 TRP A 20 -7.164 -7.333 -9.678 1.00 0.00 N ATOM 317 CE2 TRP A 20 -6.878 -6.035 -9.714 1.00 0.00 C ATOM 318 CE3 TRP A 20 -8.074 -4.077 -9.034 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.805 -5.215 -10.058 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -6.996 -3.359 -9.409 1.00 0.00 C ATOM 321 CH2 TRP A 20 -5.877 -3.890 -9.914 1.00 0.00 C ATOM 0 H TRP A 20 -9.870 -9.418 -7.420 1.00 0.00 H new ATOM 0 HA TRP A 20 -10.034 -7.374 -6.464 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -11.033 -6.408 -9.204 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -10.466 -5.368 -7.913 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -8.793 -8.621 -9.085 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -6.505 -8.045 -9.994 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -8.944 -3.591 -8.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -4.901 -5.659 -10.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -7.039 -2.286 -9.294 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -5.048 -3.259 -10.200 1.00 0.00 H new ATOM 332 N ASP A 21 -12.896 -8.276 -6.613 1.00 0.00 N ATOM 333 CA ASP A 21 -14.311 -8.119 -6.221 1.00 0.00 C ATOM 334 C ASP A 21 -14.258 -7.951 -4.705 1.00 0.00 C ATOM 335 O ASP A 21 -14.855 -8.622 -3.896 1.00 0.00 O ATOM 336 CB ASP A 21 -15.104 -9.367 -6.603 1.00 0.00 C ATOM 337 CG ASP A 21 -16.606 -9.016 -6.544 1.00 0.00 C ATOM 338 OD1 ASP A 21 -16.970 -8.042 -5.899 1.00 0.00 O ATOM 339 OD2 ASP A 21 -17.320 -9.771 -7.170 1.00 0.00 O ATOM 0 H ASP A 21 -12.553 -9.237 -6.619 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.800 -7.279 -6.714 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.830 -9.701 -7.604 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.877 -10.186 -5.921 1.00 0.00 H new ATOM 344 N LEU A 22 -13.485 -6.968 -4.375 1.00 0.00 N ATOM 345 CA LEU A 22 -13.220 -6.547 -2.997 1.00 0.00 C ATOM 346 C LEU A 22 -14.519 -6.519 -2.174 1.00 0.00 C ATOM 347 O LEU A 22 -14.440 -6.536 -0.963 1.00 0.00 O ATOM 348 CB LEU A 22 -12.560 -5.212 -3.144 1.00 0.00 C ATOM 349 CG LEU A 22 -11.371 -5.263 -4.204 1.00 0.00 C ATOM 350 CD1 LEU A 22 -11.716 -4.110 -5.192 1.00 0.00 C ATOM 351 CD2 LEU A 22 -10.172 -4.858 -3.338 1.00 0.00 C ATOM 0 H LEU A 22 -12.993 -6.402 -5.067 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.578 -7.232 -2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.297 -4.473 -3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.174 -4.887 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.204 -6.197 -4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.954 -4.057 -5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -12.687 -4.300 -5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.749 -3.165 -4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.269 -4.851 -3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.340 -3.863 -2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.054 -5.572 -2.523 1.00 0.00 H new ATOM 363 N GLY A 23 -15.659 -6.464 -2.843 1.00 0.00 N ATOM 364 CA GLY A 23 -16.997 -6.444 -2.141 1.00 0.00 C ATOM 365 C GLY A 23 -17.013 -7.618 -1.154 1.00 0.00 C ATOM 366 O GLY A 23 -17.574 -7.567 -0.077 1.00 0.00 O ATOM 0 H GLY A 23 -15.719 -6.432 -3.861 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -17.142 -5.499 -1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.810 -6.536 -2.861 1.00 0.00 H new ATOM 370 N ALA A 24 -16.374 -8.649 -1.635 1.00 0.00 N ATOM 371 CA ALA A 24 -16.186 -9.941 -0.938 1.00 0.00 C ATOM 372 C ALA A 24 -15.772 -9.698 0.558 1.00 0.00 C ATOM 373 O ALA A 24 -14.631 -9.362 0.816 1.00 0.00 O ATOM 374 CB ALA A 24 -15.100 -10.724 -1.746 1.00 0.00 C ATOM 0 H ALA A 24 -15.944 -8.635 -2.560 1.00 0.00 H new ATOM 0 HA ALA A 24 -17.106 -10.524 -0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.921 -11.690 -1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.448 -10.879 -2.768 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.173 -10.150 -1.761 1.00 0.00 H new ATOM 380 N PRO A 25 -16.683 -9.861 1.502 1.00 0.00 N ATOM 381 CA PRO A 25 -16.457 -9.517 2.940 1.00 0.00 C ATOM 382 C PRO A 25 -14.987 -9.674 3.394 1.00 0.00 C ATOM 383 O PRO A 25 -14.376 -8.769 3.916 1.00 0.00 O ATOM 384 CB PRO A 25 -17.443 -10.436 3.709 1.00 0.00 C ATOM 385 CG PRO A 25 -18.444 -11.005 2.647 1.00 0.00 C ATOM 386 CD PRO A 25 -18.029 -10.431 1.263 1.00 0.00 C ATOM 0 HA PRO A 25 -16.644 -8.461 3.137 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.909 -11.243 4.210 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -17.973 -9.877 4.480 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.413 -12.095 2.636 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.467 -10.718 2.891 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -18.004 -11.209 0.500 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -18.730 -9.670 0.920 1.00 0.00 H new ATOM 394 N ALA A 26 -14.484 -10.855 3.156 1.00 0.00 N ATOM 395 CA ALA A 26 -13.077 -11.281 3.493 1.00 0.00 C ATOM 396 C ALA A 26 -11.952 -10.261 3.182 1.00 0.00 C ATOM 397 O ALA A 26 -10.848 -10.345 3.688 1.00 0.00 O ATOM 398 CB ALA A 26 -12.856 -12.616 2.740 1.00 0.00 C ATOM 0 H ALA A 26 -15.025 -11.596 2.711 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.000 -11.374 4.576 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.850 -12.984 2.940 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.586 -13.351 3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.976 -12.454 1.669 1.00 0.00 H new ATOM 404 N VAL A 27 -12.293 -9.341 2.334 1.00 0.00 N ATOM 405 CA VAL A 27 -11.363 -8.250 1.877 1.00 0.00 C ATOM 406 C VAL A 27 -11.823 -6.844 2.308 1.00 0.00 C ATOM 407 O VAL A 27 -11.171 -6.110 3.020 1.00 0.00 O ATOM 408 CB VAL A 27 -11.277 -8.236 0.335 1.00 0.00 C ATOM 409 CG1 VAL A 27 -10.063 -7.397 -0.092 1.00 0.00 C ATOM 410 CG2 VAL A 27 -11.141 -9.655 -0.268 1.00 0.00 C ATOM 0 H VAL A 27 -13.221 -9.289 1.913 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.401 -8.469 2.341 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.207 -7.807 -0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.995 -7.382 -1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.176 -6.378 0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.155 -7.834 0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.085 -9.585 -1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.235 -10.127 0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.007 -10.254 0.013 1.00 0.00 H new ATOM 420 N SER A 28 -12.994 -6.574 1.793 1.00 0.00 N ATOM 421 CA SER A 28 -13.744 -5.299 1.984 1.00 0.00 C ATOM 422 C SER A 28 -12.812 -4.061 2.159 1.00 0.00 C ATOM 423 O SER A 28 -12.625 -3.541 3.241 1.00 0.00 O ATOM 424 CB SER A 28 -14.688 -5.471 3.224 1.00 0.00 C ATOM 425 OG SER A 28 -13.864 -5.449 4.386 1.00 0.00 O ATOM 0 H SER A 28 -13.494 -7.240 1.204 1.00 0.00 H new ATOM 0 HA SER A 28 -14.324 -5.100 1.083 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.426 -4.669 3.260 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.239 -6.409 3.161 1.00 0.00 H new ATOM 0 HG SER A 28 -13.434 -4.572 4.465 1.00 0.00 H new ATOM 431 N ALA A 29 -12.262 -3.628 1.049 1.00 0.00 N ATOM 432 CA ALA A 29 -11.314 -2.443 1.001 1.00 0.00 C ATOM 433 C ALA A 29 -11.956 -1.020 0.799 1.00 0.00 C ATOM 434 O ALA A 29 -13.057 -0.901 0.294 1.00 0.00 O ATOM 435 CB ALA A 29 -10.343 -2.813 -0.125 1.00 0.00 C ATOM 0 H ALA A 29 -12.431 -4.055 0.138 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.847 -2.305 1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.607 -2.018 -0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.834 -3.744 0.125 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.896 -2.941 -1.055 1.00 0.00 H new ATOM 441 N TYR A 30 -11.229 0.021 1.171 1.00 0.00 N ATOM 442 CA TYR A 30 -11.712 1.443 1.060 1.00 0.00 C ATOM 443 C TYR A 30 -12.610 1.814 -0.092 1.00 0.00 C ATOM 444 O TYR A 30 -13.750 2.184 0.099 1.00 0.00 O ATOM 445 CB TYR A 30 -10.511 2.429 1.004 1.00 0.00 C ATOM 446 CG TYR A 30 -10.538 3.414 2.171 1.00 0.00 C ATOM 447 CD1 TYR A 30 -10.014 3.148 3.421 1.00 0.00 C ATOM 448 CD2 TYR A 30 -11.115 4.639 1.925 1.00 0.00 C ATOM 449 CE1 TYR A 30 -10.077 4.118 4.409 1.00 0.00 C ATOM 450 CE2 TYR A 30 -11.177 5.599 2.900 1.00 0.00 C ATOM 451 CZ TYR A 30 -10.656 5.342 4.148 1.00 0.00 C ATOM 452 OH TYR A 30 -10.685 6.292 5.138 1.00 0.00 O ATOM 0 H TYR A 30 -10.290 -0.064 1.560 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.326 1.522 1.957 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.577 1.867 1.023 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.534 2.978 0.063 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -9.558 2.191 3.627 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.525 4.847 0.948 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -9.670 3.914 5.389 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.633 6.555 2.690 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.124 7.101 4.802 1.00 0.00 H new ATOM 462 N CYS A 31 -12.063 1.691 -1.269 1.00 0.00 N ATOM 463 CA CYS A 31 -12.832 2.032 -2.495 1.00 0.00 C ATOM 464 C CYS A 31 -13.521 0.839 -3.144 1.00 0.00 C ATOM 465 O CYS A 31 -13.924 0.921 -4.285 1.00 0.00 O ATOM 466 CB CYS A 31 -11.859 2.706 -3.506 1.00 0.00 C ATOM 467 SG CYS A 31 -12.100 4.464 -3.868 1.00 0.00 S ATOM 0 H CYS A 31 -11.110 1.367 -1.434 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.636 2.708 -2.202 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -10.844 2.578 -3.130 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.922 2.159 -4.447 1.00 0.00 H new ATOM 472 N ALA A 32 -13.656 -0.247 -2.415 1.00 0.00 N ATOM 473 CA ALA A 32 -14.332 -1.469 -2.980 1.00 0.00 C ATOM 474 C ALA A 32 -15.569 -0.997 -3.788 1.00 0.00 C ATOM 475 O ALA A 32 -15.709 -1.249 -4.965 1.00 0.00 O ATOM 476 CB ALA A 32 -14.705 -2.362 -1.777 1.00 0.00 C ATOM 0 H ALA A 32 -13.328 -0.342 -1.454 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.700 -2.044 -3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -15.200 -3.265 -2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.801 -2.635 -1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.378 -1.817 -1.114 1.00 0.00 H new ATOM 482 N THR A 33 -16.390 -0.312 -3.044 1.00 0.00 N ATOM 483 CA THR A 33 -17.694 0.319 -3.464 1.00 0.00 C ATOM 484 C THR A 33 -17.625 1.190 -4.726 1.00 0.00 C ATOM 485 O THR A 33 -18.622 1.458 -5.371 1.00 0.00 O ATOM 486 CB THR A 33 -18.149 1.122 -2.239 1.00 0.00 C ATOM 487 OG1 THR A 33 -18.503 0.118 -1.304 1.00 0.00 O ATOM 488 CG2 THR A 33 -19.427 1.918 -2.396 1.00 0.00 C ATOM 0 H THR A 33 -16.191 -0.145 -2.058 1.00 0.00 H new ATOM 0 HA THR A 33 -18.401 -0.457 -3.758 1.00 0.00 H new ATOM 0 HB THR A 33 -17.353 1.827 -1.997 1.00 0.00 H new ATOM 0 HG1 THR A 33 -18.810 0.538 -0.474 1.00 0.00 H new ATOM 0 HG21 THR A 33 -19.646 2.442 -1.466 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.308 2.642 -3.202 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.249 1.243 -2.634 1.00 0.00 H new ATOM 496 N TRP A 34 -16.418 1.594 -5.007 1.00 0.00 N ATOM 497 CA TRP A 34 -16.068 2.455 -6.172 1.00 0.00 C ATOM 498 C TRP A 34 -15.138 1.723 -7.200 1.00 0.00 C ATOM 499 O TRP A 34 -14.962 2.226 -8.293 1.00 0.00 O ATOM 500 CB TRP A 34 -15.453 3.743 -5.525 1.00 0.00 C ATOM 501 CG TRP A 34 -16.542 4.459 -4.672 1.00 0.00 C ATOM 502 CD1 TRP A 34 -17.813 4.763 -5.080 1.00 0.00 C ATOM 503 CD2 TRP A 34 -16.406 4.873 -3.390 1.00 0.00 C ATOM 504 NE1 TRP A 34 -18.346 5.335 -4.010 1.00 0.00 N ATOM 505 CE2 TRP A 34 -17.573 5.441 -2.946 1.00 0.00 C ATOM 506 CE3 TRP A 34 -15.323 4.799 -2.546 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -17.664 5.926 -1.663 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -15.399 5.288 -1.242 1.00 0.00 C ATOM 509 CH2 TRP A 34 -16.585 5.851 -0.810 1.00 0.00 C ATOM 0 H TRP A 34 -15.610 1.344 -4.437 1.00 0.00 H new ATOM 0 HA TRP A 34 -16.929 2.710 -6.790 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -14.600 3.478 -4.900 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -15.083 4.413 -6.301 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -18.271 4.581 -6.041 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -19.307 5.677 -4.009 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -14.402 4.357 -2.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -18.588 6.369 -1.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -14.546 5.228 -0.582 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -16.666 6.232 0.197 1.00 0.00 H new ATOM 520 N ASP A 35 -14.573 0.598 -6.830 1.00 0.00 N ATOM 521 CA ASP A 35 -13.671 -0.226 -7.722 1.00 0.00 C ATOM 522 C ASP A 35 -14.357 -1.581 -8.026 1.00 0.00 C ATOM 523 O ASP A 35 -14.654 -1.857 -9.169 1.00 0.00 O ATOM 524 CB ASP A 35 -12.318 -0.581 -7.061 1.00 0.00 C ATOM 525 CG ASP A 35 -11.173 0.405 -7.266 1.00 0.00 C ATOM 526 OD1 ASP A 35 -11.316 1.520 -6.795 1.00 0.00 O ATOM 527 OD2 ASP A 35 -10.202 -0.024 -7.887 1.00 0.00 O ATOM 0 H ASP A 35 -14.703 0.193 -5.903 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.493 0.380 -8.610 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.482 -0.693 -5.989 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.001 -1.553 -7.438 1.00 0.00 H new ATOM 532 N ALA A 36 -14.590 -2.366 -6.993 1.00 0.00 N ATOM 533 CA ALA A 36 -15.245 -3.733 -7.087 1.00 0.00 C ATOM 534 C ALA A 36 -16.379 -3.786 -8.119 1.00 0.00 C ATOM 535 O ALA A 36 -16.723 -4.828 -8.635 1.00 0.00 O ATOM 536 CB ALA A 36 -15.790 -4.138 -5.689 1.00 0.00 C ATOM 0 H ALA A 36 -14.342 -2.105 -6.039 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.481 -4.435 -7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.261 -5.119 -5.752 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -14.967 -4.176 -4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.524 -3.404 -5.358 1.00 0.00 H new ATOM 542 N SER A 37 -16.924 -2.638 -8.360 1.00 0.00 N ATOM 543 CA SER A 37 -18.032 -2.396 -9.318 1.00 0.00 C ATOM 544 C SER A 37 -17.442 -2.080 -10.722 1.00 0.00 C ATOM 545 O SER A 37 -17.829 -2.657 -11.716 1.00 0.00 O ATOM 546 CB SER A 37 -18.802 -1.219 -8.752 1.00 0.00 C ATOM 547 OG SER A 37 -17.752 -0.279 -8.496 1.00 0.00 O ATOM 0 H SER A 37 -16.619 -1.786 -7.890 1.00 0.00 H new ATOM 0 HA SER A 37 -18.686 -3.260 -9.441 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.535 -0.831 -9.460 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.345 -1.483 -7.844 1.00 0.00 H new ATOM 0 HG SER A 37 -17.653 -0.155 -7.529 1.00 0.00 H new ATOM 553 N LYS A 38 -16.497 -1.176 -10.761 1.00 0.00 N ATOM 554 CA LYS A 38 -15.831 -0.746 -12.059 1.00 0.00 C ATOM 555 C LYS A 38 -15.369 -1.845 -13.031 1.00 0.00 C ATOM 556 O LYS A 38 -14.836 -2.840 -12.578 1.00 0.00 O ATOM 557 CB LYS A 38 -14.583 0.085 -11.778 1.00 0.00 C ATOM 558 CG LYS A 38 -14.939 1.503 -11.381 1.00 0.00 C ATOM 559 CD LYS A 38 -13.583 2.176 -11.256 1.00 0.00 C ATOM 560 CE LYS A 38 -13.686 3.623 -10.933 1.00 0.00 C ATOM 561 NZ LYS A 38 -12.278 4.080 -11.047 1.00 0.00 N ATOM 0 H LYS A 38 -16.141 -0.698 -9.934 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.644 -0.205 -12.544 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.005 -0.383 -10.981 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.949 0.102 -12.664 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.562 1.988 -12.133 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.492 1.532 -10.442 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.004 1.675 -10.480 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.035 2.055 -12.190 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.340 4.148 -11.629 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.086 3.788 -9.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.980 4.514 -10.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.665 3.267 -11.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.201 4.780 -11.812 1.00 0.00 H new ATOM 575 N PRO A 39 -15.537 -1.659 -14.326 1.00 0.00 N ATOM 576 CA PRO A 39 -15.233 -2.737 -15.315 1.00 0.00 C ATOM 577 C PRO A 39 -13.814 -3.322 -15.120 1.00 0.00 C ATOM 578 O PRO A 39 -12.901 -2.652 -14.660 1.00 0.00 O ATOM 579 CB PRO A 39 -15.455 -2.046 -16.672 1.00 0.00 C ATOM 580 CG PRO A 39 -15.212 -0.550 -16.334 1.00 0.00 C ATOM 581 CD PRO A 39 -15.991 -0.411 -15.014 1.00 0.00 C ATOM 0 HA PRO A 39 -15.866 -3.618 -15.211 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -14.760 -2.408 -17.430 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -16.461 -2.217 -17.054 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.153 -0.322 -16.213 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.594 0.114 -17.109 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -15.725 0.491 -14.464 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.070 -0.385 -15.165 1.00 0.00 H new ATOM 589 N LEU A 40 -13.652 -4.569 -15.481 1.00 0.00 N ATOM 590 CA LEU A 40 -12.338 -5.236 -15.341 1.00 0.00 C ATOM 591 C LEU A 40 -11.220 -4.483 -16.056 1.00 0.00 C ATOM 592 O LEU A 40 -10.192 -4.192 -15.476 1.00 0.00 O ATOM 593 CB LEU A 40 -12.518 -6.663 -15.889 1.00 0.00 C ATOM 594 CG LEU A 40 -12.911 -7.690 -14.799 1.00 0.00 C ATOM 595 CD1 LEU A 40 -11.773 -7.791 -13.766 1.00 0.00 C ATOM 596 CD2 LEU A 40 -14.204 -7.280 -14.071 1.00 0.00 C ATOM 0 H LEU A 40 -14.390 -5.155 -15.872 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.029 -5.255 -14.296 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -13.285 -6.654 -16.664 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.590 -6.983 -16.363 1.00 0.00 H new ATOM 0 HG LEU A 40 -13.081 -8.650 -15.287 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.044 -8.513 -12.996 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.859 -8.116 -14.262 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.610 -6.816 -13.308 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -14.447 -8.025 -13.314 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -14.061 -6.311 -13.593 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -15.021 -7.213 -14.790 1.00 0.00 H new ATOM 608 N SER A 41 -11.451 -4.183 -17.310 1.00 0.00 N ATOM 609 CA SER A 41 -10.445 -3.445 -18.135 1.00 0.00 C ATOM 610 C SER A 41 -9.677 -2.378 -17.316 1.00 0.00 C ATOM 611 O SER A 41 -8.472 -2.456 -17.222 1.00 0.00 O ATOM 612 CB SER A 41 -11.231 -2.849 -19.329 1.00 0.00 C ATOM 613 OG SER A 41 -11.713 -4.005 -20.020 1.00 0.00 O ATOM 0 H SER A 41 -12.310 -4.423 -17.805 1.00 0.00 H new ATOM 0 HA SER A 41 -9.659 -4.112 -18.490 1.00 0.00 H new ATOM 0 HB2 SER A 41 -12.049 -2.212 -18.993 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.591 -2.238 -19.966 1.00 0.00 H new ATOM 0 HG SER A 41 -12.232 -3.725 -20.803 1.00 0.00 H new ATOM 619 N TRP A 42 -10.367 -1.425 -16.732 1.00 0.00 N ATOM 620 CA TRP A 42 -9.679 -0.353 -15.916 1.00 0.00 C ATOM 621 C TRP A 42 -8.888 -0.979 -14.722 1.00 0.00 C ATOM 622 O TRP A 42 -7.695 -0.761 -14.590 1.00 0.00 O ATOM 623 CB TRP A 42 -10.783 0.634 -15.423 1.00 0.00 C ATOM 624 CG TRP A 42 -10.231 1.808 -14.588 1.00 0.00 C ATOM 625 CD1 TRP A 42 -9.693 2.952 -15.102 1.00 0.00 C ATOM 626 CD2 TRP A 42 -10.209 1.878 -13.236 1.00 0.00 C ATOM 627 NE1 TRP A 42 -9.379 3.642 -14.017 1.00 0.00 N ATOM 628 CE2 TRP A 42 -9.650 3.079 -12.842 1.00 0.00 C ATOM 629 CE3 TRP A 42 -10.643 0.969 -12.280 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -9.532 3.363 -11.489 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -10.525 1.253 -10.934 1.00 0.00 C ATOM 632 CH2 TRP A 42 -9.968 2.451 -10.532 1.00 0.00 C ATOM 0 H TRP A 42 -11.382 -1.338 -16.782 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.945 0.180 -16.520 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.316 1.032 -16.287 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -11.510 0.084 -14.826 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -9.557 3.226 -16.138 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.948 4.565 -14.079 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.077 0.031 -12.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -9.098 4.301 -11.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.867 0.541 -10.198 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -9.871 2.679 -9.481 1.00 0.00 H new ATOM 643 N ARG A 43 -9.579 -1.739 -13.904 1.00 0.00 N ATOM 644 CA ARG A 43 -8.944 -2.406 -12.713 1.00 0.00 C ATOM 645 C ARG A 43 -7.513 -2.875 -12.996 1.00 0.00 C ATOM 646 O ARG A 43 -6.568 -2.491 -12.328 1.00 0.00 O ATOM 647 CB ARG A 43 -9.728 -3.667 -12.271 1.00 0.00 C ATOM 648 CG ARG A 43 -11.163 -3.389 -11.838 1.00 0.00 C ATOM 649 CD ARG A 43 -11.695 -4.684 -11.164 1.00 0.00 C ATOM 650 NE ARG A 43 -13.177 -4.612 -11.285 1.00 0.00 N ATOM 651 CZ ARG A 43 -14.039 -5.256 -10.587 1.00 0.00 C ATOM 652 NH1 ARG A 43 -13.868 -6.340 -9.923 1.00 0.00 N ATOM 653 NH2 ARG A 43 -15.169 -4.694 -10.608 1.00 0.00 N ATOM 0 H ARG A 43 -10.575 -1.930 -14.011 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.951 -1.643 -11.935 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.740 -4.381 -13.095 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.197 -4.141 -11.446 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.200 -2.550 -11.143 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.779 -3.120 -12.696 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.303 -5.573 -11.658 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.388 -4.738 -10.119 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.546 -3.984 -11.999 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.954 -6.792 -9.911 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -14.646 -6.750 -9.406 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -15.301 -3.834 -11.140 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -15.950 -5.100 -10.093 1.00 0.00 H new ATOM 667 N SER A 44 -7.456 -3.685 -14.016 1.00 0.00 N ATOM 668 CA SER A 44 -6.182 -4.293 -14.490 1.00 0.00 C ATOM 669 C SER A 44 -5.312 -3.331 -15.301 1.00 0.00 C ATOM 670 O SER A 44 -4.124 -3.269 -15.073 1.00 0.00 O ATOM 671 CB SER A 44 -6.556 -5.518 -15.334 1.00 0.00 C ATOM 672 OG SER A 44 -7.468 -4.951 -16.277 1.00 0.00 O ATOM 0 H SER A 44 -8.273 -3.960 -14.561 1.00 0.00 H new ATOM 0 HA SER A 44 -5.579 -4.564 -13.624 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.687 -5.961 -15.820 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.020 -6.302 -14.735 1.00 0.00 H new ATOM 0 HG SER A 44 -7.784 -5.650 -16.887 1.00 0.00 H new ATOM 678 N LYS A 45 -5.923 -2.641 -16.235 1.00 0.00 N ATOM 679 CA LYS A 45 -5.246 -1.637 -17.135 1.00 0.00 C ATOM 680 C LYS A 45 -4.051 -0.954 -16.462 1.00 0.00 C ATOM 681 O LYS A 45 -2.953 -0.933 -16.982 1.00 0.00 O ATOM 682 CB LYS A 45 -6.282 -0.576 -17.541 1.00 0.00 C ATOM 683 CG LYS A 45 -5.667 0.404 -18.547 1.00 0.00 C ATOM 684 CD LYS A 45 -6.576 1.653 -18.651 1.00 0.00 C ATOM 685 CE LYS A 45 -6.406 2.551 -17.422 1.00 0.00 C ATOM 686 NZ LYS A 45 -4.950 2.905 -17.304 1.00 0.00 N ATOM 0 H LYS A 45 -6.921 -2.737 -16.423 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.860 -2.168 -18.005 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.155 -1.059 -17.979 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.625 -0.036 -16.659 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.665 0.692 -18.228 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.566 -0.071 -19.523 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.331 2.213 -19.553 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.618 1.344 -18.741 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.011 3.452 -17.522 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.747 2.036 -16.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.621 2.704 -16.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.399 2.340 -17.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.821 3.916 -17.511 1.00 0.00 H new ATOM 700 N TYR A 46 -4.361 -0.413 -15.305 1.00 0.00 N ATOM 701 CA TYR A 46 -3.348 0.317 -14.452 1.00 0.00 C ATOM 702 C TYR A 46 -2.913 -0.601 -13.283 1.00 0.00 C ATOM 703 O TYR A 46 -3.524 -1.620 -13.047 1.00 0.00 O ATOM 704 CB TYR A 46 -4.000 1.614 -13.885 1.00 0.00 C ATOM 705 CG TYR A 46 -3.288 2.908 -14.347 1.00 0.00 C ATOM 706 CD1 TYR A 46 -1.906 3.022 -14.353 1.00 0.00 C ATOM 707 CD2 TYR A 46 -4.037 3.994 -14.770 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.282 4.182 -14.770 1.00 0.00 C ATOM 709 CE2 TYR A 46 -3.412 5.161 -15.193 1.00 0.00 C ATOM 710 CZ TYR A 46 -2.032 5.263 -15.195 1.00 0.00 C ATOM 711 OH TYR A 46 -1.396 6.416 -15.613 1.00 0.00 O ATOM 0 H TYR A 46 -5.297 -0.445 -14.901 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.476 0.580 -15.051 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.045 1.652 -14.194 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.991 1.571 -12.796 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.305 2.187 -14.025 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.115 3.933 -14.771 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.204 4.245 -14.764 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.010 5.997 -15.524 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.065 7.080 -15.880 1.00 0.00 H new ATOM 721 N GLY A 47 -1.884 -0.234 -12.554 1.00 0.00 N ATOM 722 CA GLY A 47 -1.421 -1.104 -11.402 1.00 0.00 C ATOM 723 C GLY A 47 -2.418 -1.061 -10.245 1.00 0.00 C ATOM 724 O GLY A 47 -3.371 -0.315 -10.324 1.00 0.00 O ATOM 0 H GLY A 47 -1.344 0.619 -12.698 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.300 -2.132 -11.744 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.444 -0.766 -11.057 1.00 0.00 H new ATOM 728 N TRP A 48 -2.193 -1.801 -9.178 1.00 0.00 N ATOM 729 CA TRP A 48 -3.101 -1.843 -8.026 1.00 0.00 C ATOM 730 C TRP A 48 -2.334 -1.779 -6.773 1.00 0.00 C ATOM 731 O TRP A 48 -1.468 -2.589 -6.498 1.00 0.00 O ATOM 732 CB TRP A 48 -3.906 -3.136 -7.719 1.00 0.00 C ATOM 733 CG TRP A 48 -5.297 -2.797 -7.061 1.00 0.00 C ATOM 734 CD1 TRP A 48 -5.699 -1.587 -6.783 1.00 0.00 C ATOM 735 CD2 TRP A 48 -6.331 -3.578 -6.766 1.00 0.00 C ATOM 736 NE1 TRP A 48 -6.949 -1.705 -6.367 1.00 0.00 N ATOM 737 CE2 TRP A 48 -7.407 -2.908 -6.319 1.00 0.00 C ATOM 738 CE3 TRP A 48 -6.358 -4.882 -6.876 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -8.542 -3.545 -5.969 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -7.490 -5.579 -6.533 1.00 0.00 C ATOM 741 CH2 TRP A 48 -8.580 -4.917 -6.081 1.00 0.00 C ATOM 0 H TRP A 48 -1.372 -2.398 -9.075 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.768 -1.029 -8.310 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.063 -3.697 -8.640 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.330 -3.776 -7.050 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.128 -0.675 -6.874 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.513 -0.897 -6.102 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.488 -5.411 -7.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -9.399 -2.994 -5.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -7.510 -6.655 -6.624 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -9.473 -5.460 -5.810 1.00 0.00 H new ATOM 752 N THR A 49 -2.710 -0.746 -6.136 1.00 0.00 N ATOM 753 CA THR A 49 -2.102 -0.524 -4.820 1.00 0.00 C ATOM 754 C THR A 49 -3.010 -0.295 -3.624 1.00 0.00 C ATOM 755 O THR A 49 -3.510 0.793 -3.377 1.00 0.00 O ATOM 756 CB THR A 49 -1.087 0.668 -4.819 1.00 0.00 C ATOM 757 OG1 THR A 49 -1.729 1.879 -5.173 1.00 0.00 O ATOM 758 CG2 THR A 49 -0.061 0.447 -5.905 1.00 0.00 C ATOM 0 H THR A 49 -3.393 -0.056 -6.449 1.00 0.00 H new ATOM 0 HA THR A 49 -1.635 -1.499 -4.680 1.00 0.00 H new ATOM 0 HB THR A 49 -0.652 0.722 -3.821 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.070 1.813 -6.089 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.649 1.274 -5.909 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.471 -0.486 -5.719 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.561 0.393 -6.872 1.00 0.00 H new ATOM 766 N ALA A 50 -3.314 -1.361 -2.898 1.00 0.00 N ATOM 767 CA ALA A 50 -4.167 -0.986 -1.660 1.00 0.00 C ATOM 768 C ALA A 50 -2.901 -0.525 -0.887 1.00 0.00 C ATOM 769 O ALA A 50 -2.072 -1.365 -0.591 1.00 0.00 O ATOM 770 CB ALA A 50 -4.724 -2.113 -0.715 1.00 0.00 C ATOM 0 H ALA A 50 -3.065 -2.338 -3.053 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.052 -0.407 -1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.296 -1.659 0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.370 -2.780 -1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.893 -2.682 -0.298 1.00 0.00 H new ATOM 776 N PHE A 51 -2.844 0.769 -0.622 1.00 0.00 N ATOM 777 CA PHE A 51 -1.687 1.423 0.095 1.00 0.00 C ATOM 778 C PHE A 51 -1.742 1.501 1.634 1.00 0.00 C ATOM 779 O PHE A 51 -2.792 1.705 2.203 1.00 0.00 O ATOM 780 CB PHE A 51 -1.558 2.861 -0.536 1.00 0.00 C ATOM 781 CG PHE A 51 -0.358 3.671 -0.007 1.00 0.00 C ATOM 782 CD1 PHE A 51 -0.399 4.377 1.188 1.00 0.00 C ATOM 783 CD2 PHE A 51 0.802 3.702 -0.751 1.00 0.00 C ATOM 784 CE1 PHE A 51 0.706 5.095 1.618 1.00 0.00 C ATOM 785 CE2 PHE A 51 1.903 4.419 -0.319 1.00 0.00 C ATOM 786 CZ PHE A 51 1.858 5.116 0.865 1.00 0.00 C ATOM 0 H PHE A 51 -3.582 1.422 -0.884 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.817 0.783 -0.053 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.470 2.765 -1.618 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.474 3.417 -0.338 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.298 4.367 1.786 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.852 3.159 -1.683 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.663 5.641 2.549 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.803 4.431 -0.915 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.719 5.675 1.201 1.00 0.00 H new ATOM 796 N CYS A 52 -0.566 1.345 2.205 1.00 0.00 N ATOM 797 CA CYS A 52 -0.332 1.371 3.719 1.00 0.00 C ATOM 798 C CYS A 52 0.967 2.167 4.154 1.00 0.00 C ATOM 799 O CYS A 52 1.858 1.591 4.754 1.00 0.00 O ATOM 800 CB CYS A 52 -0.251 -0.128 4.189 1.00 0.00 C ATOM 801 SG CYS A 52 -1.624 -1.079 4.892 1.00 0.00 S ATOM 0 H CYS A 52 0.289 1.193 1.670 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.154 1.906 4.194 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.091 -0.694 3.323 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.548 -0.165 4.930 1.00 0.00 H new ATOM 806 N GLY A 53 1.080 3.437 3.864 1.00 0.00 N ATOM 807 CA GLY A 53 2.336 4.174 4.287 1.00 0.00 C ATOM 808 C GLY A 53 2.092 5.477 5.043 1.00 0.00 C ATOM 809 O GLY A 53 1.066 6.090 4.843 1.00 0.00 O ATOM 0 H GLY A 53 0.385 3.994 3.367 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.934 3.513 4.915 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.929 4.392 3.399 1.00 0.00 H new ATOM 813 N PRO A 54 3.025 5.884 5.883 1.00 0.00 N ATOM 814 CA PRO A 54 2.873 7.109 6.729 1.00 0.00 C ATOM 815 C PRO A 54 2.532 8.391 5.946 1.00 0.00 C ATOM 816 O PRO A 54 1.445 8.928 6.022 1.00 0.00 O ATOM 817 CB PRO A 54 4.219 7.184 7.491 1.00 0.00 C ATOM 818 CG PRO A 54 5.197 6.430 6.550 1.00 0.00 C ATOM 819 CD PRO A 54 4.349 5.228 6.111 1.00 0.00 C ATOM 0 HA PRO A 54 2.014 7.038 7.396 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.532 8.215 7.656 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.155 6.710 8.470 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.505 7.044 5.704 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.106 6.122 7.067 1.00 0.00 H new ATOM 0 HD2 PRO A 54 4.737 4.757 5.208 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.300 4.455 6.878 1.00 0.00 H new ATOM 827 N ALA A 55 3.479 8.851 5.176 1.00 0.00 N ATOM 828 CA ALA A 55 3.266 10.094 4.376 1.00 0.00 C ATOM 829 C ALA A 55 2.679 9.700 3.004 1.00 0.00 C ATOM 830 O ALA A 55 3.285 9.898 1.962 1.00 0.00 O ATOM 831 CB ALA A 55 4.654 10.794 4.277 1.00 0.00 C ATOM 0 H ALA A 55 4.396 8.419 5.065 1.00 0.00 H new ATOM 0 HA ALA A 55 2.557 10.787 4.829 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.557 11.713 3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.014 11.030 5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.363 10.129 3.784 1.00 0.00 H new ATOM 837 N GLY A 56 1.502 9.131 3.096 1.00 0.00 N ATOM 838 CA GLY A 56 0.735 8.668 1.876 1.00 0.00 C ATOM 839 C GLY A 56 -0.758 9.061 1.877 1.00 0.00 C ATOM 840 O GLY A 56 -1.132 9.958 1.156 1.00 0.00 O ATOM 0 H GLY A 56 1.023 8.961 3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.207 9.083 0.985 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.813 7.583 1.802 1.00 0.00 H new ATOM 844 N PRO A 57 -1.568 8.397 2.672 1.00 0.00 N ATOM 845 CA PRO A 57 -3.059 8.521 2.601 1.00 0.00 C ATOM 846 C PRO A 57 -3.697 9.947 2.581 1.00 0.00 C ATOM 847 O PRO A 57 -3.529 10.746 3.483 1.00 0.00 O ATOM 848 CB PRO A 57 -3.532 7.645 3.803 1.00 0.00 C ATOM 849 CG PRO A 57 -2.307 7.673 4.749 1.00 0.00 C ATOM 850 CD PRO A 57 -1.164 7.464 3.760 1.00 0.00 C ATOM 0 HA PRO A 57 -3.405 8.194 1.621 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.421 8.058 4.280 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.780 6.630 3.492 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.221 8.619 5.283 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.350 6.885 5.501 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.195 7.721 4.187 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.097 6.432 3.417 1.00 0.00 H new ATOM 858 N ARG A 58 -4.428 10.212 1.517 1.00 0.00 N ATOM 859 CA ARG A 58 -5.117 11.542 1.346 1.00 0.00 C ATOM 860 C ARG A 58 -6.672 11.396 1.277 1.00 0.00 C ATOM 861 O ARG A 58 -7.330 11.928 0.402 1.00 0.00 O ATOM 862 CB ARG A 58 -4.510 12.213 0.053 1.00 0.00 C ATOM 863 CG ARG A 58 -4.925 13.726 -0.048 1.00 0.00 C ATOM 864 CD ARG A 58 -4.758 14.216 -1.509 1.00 0.00 C ATOM 865 NE ARG A 58 -5.016 15.706 -1.525 1.00 0.00 N ATOM 866 CZ ARG A 58 -4.343 16.521 -2.252 1.00 0.00 C ATOM 867 NH1 ARG A 58 -3.086 16.496 -2.186 1.00 0.00 N ATOM 868 NH2 ARG A 58 -4.961 17.334 -3.012 1.00 0.00 N ATOM 0 H ARG A 58 -4.579 9.556 0.750 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.940 12.178 2.213 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.423 12.131 0.073 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.853 11.679 -0.833 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.959 13.852 0.272 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.309 14.328 0.620 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.754 13.997 -1.874 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.456 13.700 -2.168 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.757 16.079 -0.932 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.621 15.836 -1.563 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.533 17.136 -2.756 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.981 17.333 -3.038 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.437 17.987 -3.595 1.00 0.00 H new ATOM 882 N GLY A 59 -7.218 10.672 2.230 1.00 0.00 N ATOM 883 CA GLY A 59 -8.714 10.433 2.299 1.00 0.00 C ATOM 884 C GLY A 59 -9.327 9.990 0.959 1.00 0.00 C ATOM 885 O GLY A 59 -8.618 9.600 0.050 1.00 0.00 O ATOM 0 H GLY A 59 -6.687 10.226 2.978 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.918 9.672 3.052 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.205 11.348 2.629 1.00 0.00 H new ATOM 889 N GLN A 60 -10.634 10.041 0.842 1.00 0.00 N ATOM 890 CA GLN A 60 -11.270 9.618 -0.461 1.00 0.00 C ATOM 891 C GLN A 60 -10.555 10.309 -1.656 1.00 0.00 C ATOM 892 O GLN A 60 -10.395 9.742 -2.718 1.00 0.00 O ATOM 893 CB GLN A 60 -12.800 9.987 -0.439 1.00 0.00 C ATOM 894 CG GLN A 60 -13.536 9.228 0.739 1.00 0.00 C ATOM 895 CD GLN A 60 -15.067 9.276 0.601 1.00 0.00 C ATOM 896 OE1 GLN A 60 -15.793 9.728 1.460 1.00 0.00 O ATOM 897 NE2 GLN A 60 -15.638 8.822 -0.463 1.00 0.00 N ATOM 0 H GLN A 60 -11.280 10.348 1.569 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.168 8.540 -0.582 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -12.919 11.064 -0.316 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.258 9.722 -1.392 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.208 8.189 0.759 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.246 9.672 1.691 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.074 8.430 -1.217 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.654 8.855 -0.550 1.00 0.00 H new ATOM 906 N ALA A 61 -10.115 11.527 -1.459 1.00 0.00 N ATOM 907 CA ALA A 61 -9.404 12.296 -2.551 1.00 0.00 C ATOM 908 C ALA A 61 -8.045 11.692 -2.995 1.00 0.00 C ATOM 909 O ALA A 61 -7.382 12.229 -3.864 1.00 0.00 O ATOM 910 CB ALA A 61 -9.204 13.728 -2.045 1.00 0.00 C ATOM 0 H ALA A 61 -10.215 12.035 -0.580 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.029 12.252 -3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.693 14.315 -2.808 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.174 14.177 -1.831 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.603 13.712 -1.136 1.00 0.00 H new ATOM 916 N ALA A 62 -7.688 10.604 -2.369 1.00 0.00 N ATOM 917 CA ALA A 62 -6.432 9.852 -2.642 1.00 0.00 C ATOM 918 C ALA A 62 -6.808 8.695 -3.642 1.00 0.00 C ATOM 919 O ALA A 62 -6.081 8.478 -4.584 1.00 0.00 O ATOM 920 CB ALA A 62 -5.901 9.327 -1.262 1.00 0.00 C ATOM 0 H ALA A 62 -8.255 10.183 -1.633 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.643 10.451 -3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.978 8.768 -1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.707 10.172 -0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.648 8.676 -0.809 1.00 0.00 H new ATOM 926 N CYS A 63 -7.911 7.988 -3.463 1.00 0.00 N ATOM 927 CA CYS A 63 -8.315 6.857 -4.420 1.00 0.00 C ATOM 928 C CYS A 63 -8.687 7.337 -5.866 1.00 0.00 C ATOM 929 O CYS A 63 -9.111 6.623 -6.759 1.00 0.00 O ATOM 930 CB CYS A 63 -9.512 6.107 -3.786 1.00 0.00 C ATOM 931 SG CYS A 63 -10.430 4.986 -4.877 1.00 0.00 S ATOM 0 H CYS A 63 -8.562 8.138 -2.692 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.448 6.209 -4.548 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -9.144 5.532 -2.937 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -10.209 6.847 -3.392 1.00 0.00 H new ATOM 936 N GLY A 64 -8.485 8.619 -6.002 1.00 0.00 N ATOM 937 CA GLY A 64 -8.727 9.390 -7.258 1.00 0.00 C ATOM 938 C GLY A 64 -7.378 9.893 -7.792 1.00 0.00 C ATOM 939 O GLY A 64 -7.341 10.671 -8.723 1.00 0.00 O ATOM 0 H GLY A 64 -8.138 9.201 -5.239 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.216 8.760 -8.000 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.394 10.230 -7.064 1.00 0.00 H new ATOM 943 N LYS A 65 -6.302 9.452 -7.183 1.00 0.00 N ATOM 944 CA LYS A 65 -4.925 9.857 -7.614 1.00 0.00 C ATOM 945 C LYS A 65 -4.052 8.599 -7.831 1.00 0.00 C ATOM 946 O LYS A 65 -4.393 7.494 -7.454 1.00 0.00 O ATOM 947 CB LYS A 65 -4.311 10.765 -6.513 1.00 0.00 C ATOM 948 CG LYS A 65 -5.077 12.111 -6.424 1.00 0.00 C ATOM 949 CD LYS A 65 -4.704 13.049 -7.619 1.00 0.00 C ATOM 950 CE LYS A 65 -5.825 14.060 -7.945 1.00 0.00 C ATOM 951 NZ LYS A 65 -6.404 14.608 -6.679 1.00 0.00 N ATOM 0 H LYS A 65 -6.322 8.814 -6.387 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.970 10.406 -8.555 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.349 10.255 -5.551 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.260 10.953 -6.733 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.151 11.923 -6.426 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.842 12.606 -5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.788 13.590 -7.381 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.496 12.444 -8.501 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.428 14.872 -8.554 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.605 13.574 -8.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.952 15.466 -6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.028 13.897 -6.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.635 14.842 -6.019 1.00 0.00 H new ATOM 965 N CYS A 66 -2.916 8.799 -8.438 1.00 0.00 N ATOM 966 CA CYS A 66 -1.976 7.691 -8.713 1.00 0.00 C ATOM 967 C CYS A 66 -0.706 8.000 -7.914 1.00 0.00 C ATOM 968 O CYS A 66 -0.569 9.001 -7.231 1.00 0.00 O ATOM 969 CB CYS A 66 -1.771 7.633 -10.266 1.00 0.00 C ATOM 970 SG CYS A 66 -3.079 6.696 -11.102 1.00 0.00 S ATOM 0 H CYS A 66 -2.597 9.712 -8.762 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.326 6.705 -8.407 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.743 8.647 -10.664 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -0.805 7.178 -10.485 1.00 0.00 H new ATOM 975 N LEU A 67 0.215 7.108 -8.015 1.00 0.00 N ATOM 976 CA LEU A 67 1.502 7.280 -7.279 1.00 0.00 C ATOM 977 C LEU A 67 2.662 7.004 -8.245 1.00 0.00 C ATOM 978 O LEU A 67 2.644 5.993 -8.927 1.00 0.00 O ATOM 979 CB LEU A 67 1.422 6.280 -6.088 1.00 0.00 C ATOM 980 CG LEU A 67 2.045 6.819 -4.781 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.942 5.691 -3.734 1.00 0.00 C ATOM 982 CD2 LEU A 67 3.519 7.175 -4.949 1.00 0.00 C ATOM 0 H LEU A 67 0.144 6.258 -8.575 1.00 0.00 H new ATOM 0 HA LEU A 67 1.671 8.286 -6.895 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.377 6.029 -5.905 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.928 5.356 -6.367 1.00 0.00 H new ATOM 0 HG LEU A 67 1.515 7.724 -4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.372 6.029 -2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.895 5.430 -3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.487 4.816 -4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.913 7.549 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.076 6.287 -5.248 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.623 7.943 -5.715 1.00 0.00 H new ATOM 994 N ARG A 68 3.646 7.857 -8.316 1.00 0.00 N ATOM 995 CA ARG A 68 4.746 7.528 -9.266 1.00 0.00 C ATOM 996 C ARG A 68 5.765 6.873 -8.333 1.00 0.00 C ATOM 997 O ARG A 68 6.182 7.467 -7.347 1.00 0.00 O ATOM 998 CB ARG A 68 5.345 8.784 -9.886 1.00 0.00 C ATOM 999 CG ARG A 68 6.226 8.318 -11.080 1.00 0.00 C ATOM 1000 CD ARG A 68 7.047 9.510 -11.515 1.00 0.00 C ATOM 1001 NE ARG A 68 7.893 9.076 -12.670 1.00 0.00 N ATOM 1002 CZ ARG A 68 8.166 9.913 -13.582 1.00 0.00 C ATOM 1003 NH1 ARG A 68 8.963 10.845 -13.263 1.00 0.00 N ATOM 1004 NH2 ARG A 68 7.642 9.782 -14.728 1.00 0.00 N ATOM 0 H ARG A 68 3.738 8.725 -7.788 1.00 0.00 H new ATOM 0 HA ARG A 68 4.425 6.912 -10.106 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.560 9.460 -10.225 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.942 9.330 -9.155 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.872 7.492 -10.783 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.605 7.958 -11.900 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.399 10.337 -11.804 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.671 9.866 -10.695 1.00 0.00 H new ATOM 0 HE ARG A 68 8.245 8.120 -12.723 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.344 10.889 -12.318 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.223 11.551 -13.951 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.005 9.007 -14.912 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.857 10.452 -15.467 1.00 0.00 H new ATOM 1018 N VAL A 69 6.117 5.663 -8.691 1.00 0.00 N ATOM 1019 CA VAL A 69 7.093 4.898 -7.877 1.00 0.00 C ATOM 1020 C VAL A 69 8.294 4.568 -8.766 1.00 0.00 C ATOM 1021 O VAL A 69 8.182 4.151 -9.906 1.00 0.00 O ATOM 1022 CB VAL A 69 6.380 3.602 -7.357 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.316 2.803 -6.399 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.118 3.994 -6.563 1.00 0.00 C ATOM 0 H VAL A 69 5.766 5.176 -9.516 1.00 0.00 H new ATOM 0 HA VAL A 69 7.447 5.466 -7.016 1.00 0.00 H new ATOM 0 HB VAL A 69 6.124 2.987 -8.220 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.801 1.908 -6.050 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.222 2.516 -6.932 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.580 3.426 -5.544 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.622 3.094 -6.201 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.401 4.618 -5.715 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.438 4.548 -7.210 1.00 0.00 H new ATOM 1034 N THR A 70 9.429 4.815 -8.170 1.00 0.00 N ATOM 1035 CA THR A 70 10.760 4.563 -8.824 1.00 0.00 C ATOM 1036 C THR A 70 11.696 3.790 -7.873 1.00 0.00 C ATOM 1037 O THR A 70 11.688 4.066 -6.683 1.00 0.00 O ATOM 1038 CB THR A 70 11.363 5.905 -9.191 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.519 6.374 -10.239 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.747 5.700 -9.800 1.00 0.00 C ATOM 0 H THR A 70 9.497 5.194 -7.225 1.00 0.00 H new ATOM 0 HA THR A 70 10.628 3.954 -9.718 1.00 0.00 H new ATOM 0 HB THR A 70 11.443 6.570 -8.331 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.834 7.250 -10.545 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.176 6.667 -10.062 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.392 5.201 -9.077 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.663 5.086 -10.696 1.00 0.00 H new ATOM 1048 N ASN A 71 12.460 2.879 -8.431 1.00 0.00 N ATOM 1049 CA ASN A 71 13.429 2.021 -7.667 1.00 0.00 C ATOM 1050 C ASN A 71 14.988 2.196 -7.868 1.00 0.00 C ATOM 1051 O ASN A 71 15.577 1.499 -8.689 1.00 0.00 O ATOM 1052 CB ASN A 71 13.020 0.597 -7.981 1.00 0.00 C ATOM 1053 CG ASN A 71 13.935 -0.355 -7.217 1.00 0.00 C ATOM 1054 OD1 ASN A 71 14.402 -0.056 -6.141 1.00 0.00 O ATOM 1055 ND2 ASN A 71 14.247 -1.514 -7.686 1.00 0.00 N ATOM 0 H ASN A 71 12.451 2.686 -9.433 1.00 0.00 H new ATOM 0 HA ASN A 71 13.342 2.340 -6.628 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.981 0.431 -7.697 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.091 0.411 -9.053 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.861 -2.131 -7.154 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.880 -1.814 -8.589 1.00 0.00 H new ATOM 1062 N PRO A 72 15.596 3.093 -7.096 1.00 0.00 N ATOM 1063 CA PRO A 72 16.950 3.677 -7.385 1.00 0.00 C ATOM 1064 C PRO A 72 17.901 2.529 -7.781 1.00 0.00 C ATOM 1065 O PRO A 72 18.507 2.522 -8.832 1.00 0.00 O ATOM 1066 CB PRO A 72 17.375 4.398 -6.080 1.00 0.00 C ATOM 1067 CG PRO A 72 16.106 4.466 -5.178 1.00 0.00 C ATOM 1068 CD PRO A 72 15.008 3.596 -5.810 1.00 0.00 C ATOM 0 HA PRO A 72 16.961 4.387 -8.212 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.177 3.855 -5.580 1.00 0.00 H new ATOM 0 HB3 PRO A 72 17.752 5.398 -6.295 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.337 4.113 -4.173 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.764 5.497 -5.083 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.733 2.771 -5.153 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.102 4.175 -5.991 1.00 0.00 H new ATOM 1076 N ALA A 73 17.962 1.592 -6.862 1.00 0.00 N ATOM 1077 CA ALA A 73 18.795 0.348 -6.966 1.00 0.00 C ATOM 1078 C ALA A 73 18.885 -0.259 -8.379 1.00 0.00 C ATOM 1079 O ALA A 73 19.869 -0.874 -8.733 1.00 0.00 O ATOM 1080 CB ALA A 73 18.200 -0.672 -5.984 1.00 0.00 C ATOM 0 H ALA A 73 17.434 1.646 -5.991 1.00 0.00 H new ATOM 0 HA ALA A 73 19.824 0.615 -6.723 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.776 -1.596 -6.026 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.236 -0.267 -4.973 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.165 -0.877 -6.256 1.00 0.00 H new ATOM 1086 N THR A 74 17.842 -0.065 -9.134 1.00 0.00 N ATOM 1087 CA THR A 74 17.774 -0.602 -10.540 1.00 0.00 C ATOM 1088 C THR A 74 17.609 0.496 -11.571 1.00 0.00 C ATOM 1089 O THR A 74 18.127 0.396 -12.664 1.00 0.00 O ATOM 1090 CB THR A 74 16.590 -1.564 -10.703 1.00 0.00 C ATOM 1091 OG1 THR A 74 15.402 -0.864 -10.379 1.00 0.00 O ATOM 1092 CG2 THR A 74 16.613 -2.653 -9.642 1.00 0.00 C ATOM 0 H THR A 74 17.013 0.452 -8.839 1.00 0.00 H new ATOM 0 HA THR A 74 18.721 -1.116 -10.706 1.00 0.00 H new ATOM 0 HB THR A 74 16.641 -1.962 -11.717 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.602 -0.167 -9.719 1.00 0.00 H new ATOM 0 HG21 THR A 74 15.761 -3.318 -9.785 1.00 0.00 H new ATOM 0 HG22 THR A 74 17.538 -3.224 -9.727 1.00 0.00 H new ATOM 0 HG23 THR A 74 16.557 -2.199 -8.653 1.00 0.00 H new ATOM 1100 N GLY A 75 16.868 1.498 -11.177 1.00 0.00 N ATOM 1101 CA GLY A 75 16.596 2.666 -12.066 1.00 0.00 C ATOM 1102 C GLY A 75 15.238 2.470 -12.719 1.00 0.00 C ATOM 1103 O GLY A 75 14.828 3.296 -13.503 1.00 0.00 O ATOM 0 H GLY A 75 16.431 1.557 -10.257 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.609 3.591 -11.490 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.373 2.752 -12.826 1.00 0.00 H new ATOM 1107 N ALA A 76 14.554 1.403 -12.385 1.00 0.00 N ATOM 1108 CA ALA A 76 13.214 1.159 -13.006 1.00 0.00 C ATOM 1109 C ALA A 76 12.091 1.847 -12.230 1.00 0.00 C ATOM 1110 O ALA A 76 12.167 2.072 -11.038 1.00 0.00 O ATOM 1111 CB ALA A 76 12.970 -0.359 -13.046 1.00 0.00 C ATOM 0 H ALA A 76 14.861 0.697 -11.716 1.00 0.00 H new ATOM 0 HA ALA A 76 13.212 1.579 -14.012 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.997 -0.559 -13.496 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.749 -0.837 -13.639 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.990 -0.758 -12.032 1.00 0.00 H new ATOM 1117 N GLN A 77 11.060 2.177 -12.954 1.00 0.00 N ATOM 1118 CA GLN A 77 9.884 2.849 -12.342 1.00 0.00 C ATOM 1119 C GLN A 77 8.585 2.381 -12.994 1.00 0.00 C ATOM 1120 O GLN A 77 8.546 1.948 -14.131 1.00 0.00 O ATOM 1121 CB GLN A 77 10.105 4.385 -12.499 1.00 0.00 C ATOM 1122 CG GLN A 77 10.103 4.883 -13.995 1.00 0.00 C ATOM 1123 CD GLN A 77 8.690 5.104 -14.537 1.00 0.00 C ATOM 1124 OE1 GLN A 77 7.755 5.307 -13.804 1.00 0.00 O ATOM 1125 NE2 GLN A 77 8.463 5.092 -15.807 1.00 0.00 N ATOM 0 H GLN A 77 10.982 2.007 -13.957 1.00 0.00 H new ATOM 0 HA GLN A 77 9.792 2.595 -11.286 1.00 0.00 H new ATOM 0 HB2 GLN A 77 9.324 4.912 -11.950 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.056 4.654 -12.038 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.665 5.814 -14.065 1.00 0.00 H new ATOM 0 HG3 GLN A 77 10.618 4.152 -14.619 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.228 4.924 -16.460 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.518 5.251 -16.158 1.00 0.00 H new ATOM 1134 N ILE A 78 7.562 2.502 -12.207 1.00 0.00 N ATOM 1135 CA ILE A 78 6.187 2.119 -12.601 1.00 0.00 C ATOM 1136 C ILE A 78 5.196 3.216 -12.167 1.00 0.00 C ATOM 1137 O ILE A 78 5.472 3.976 -11.249 1.00 0.00 O ATOM 1138 CB ILE A 78 5.934 0.785 -11.924 1.00 0.00 C ATOM 1139 CG1 ILE A 78 4.811 0.046 -12.668 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.558 0.931 -10.432 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.351 -0.642 -13.944 1.00 0.00 C ATOM 0 H ILE A 78 7.629 2.870 -11.258 1.00 0.00 H new ATOM 0 HA ILE A 78 6.058 2.020 -13.679 1.00 0.00 H new ATOM 0 HB ILE A 78 6.864 0.218 -11.964 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.363 -0.699 -12.010 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.023 0.750 -12.936 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.389 -0.056 -10.001 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.370 1.425 -9.899 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.650 1.527 -10.342 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.536 -1.158 -14.452 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.776 0.109 -14.610 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.122 -1.362 -13.670 1.00 0.00 H new ATOM 1153 N THR A 79 4.061 3.281 -12.820 1.00 0.00 N ATOM 1154 CA THR A 79 3.031 4.318 -12.457 1.00 0.00 C ATOM 1155 C THR A 79 1.856 3.523 -11.905 1.00 0.00 C ATOM 1156 O THR A 79 1.161 2.830 -12.626 1.00 0.00 O ATOM 1157 CB THR A 79 2.633 5.088 -13.704 1.00 0.00 C ATOM 1158 OG1 THR A 79 3.868 5.695 -14.054 1.00 0.00 O ATOM 1159 CG2 THR A 79 1.745 6.274 -13.344 1.00 0.00 C ATOM 0 H THR A 79 3.799 2.664 -13.589 1.00 0.00 H new ATOM 0 HA THR A 79 3.394 5.047 -11.732 1.00 0.00 H new ATOM 0 HB THR A 79 2.135 4.455 -14.439 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.750 6.234 -14.864 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.471 6.812 -14.251 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.843 5.916 -12.848 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.285 6.943 -12.674 1.00 0.00 H new ATOM 1167 N ALA A 80 1.653 3.666 -10.628 1.00 0.00 N ATOM 1168 CA ALA A 80 0.537 2.906 -9.987 1.00 0.00 C ATOM 1169 C ALA A 80 -0.685 3.742 -9.648 1.00 0.00 C ATOM 1170 O ALA A 80 -0.647 4.956 -9.673 1.00 0.00 O ATOM 1171 CB ALA A 80 1.090 2.262 -8.713 1.00 0.00 C ATOM 0 H ALA A 80 2.198 4.263 -10.006 1.00 0.00 H new ATOM 0 HA ALA A 80 0.187 2.169 -10.710 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.300 1.698 -8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.909 1.590 -8.971 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.456 3.039 -8.042 1.00 0.00 H new ATOM 1177 N ARG A 81 -1.730 3.023 -9.333 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.026 3.653 -8.970 1.00 0.00 C ATOM 1179 C ARG A 81 -3.348 3.395 -7.492 1.00 0.00 C ATOM 1180 O ARG A 81 -3.317 2.244 -7.068 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.079 3.038 -9.858 1.00 0.00 C ATOM 1182 CG ARG A 81 -5.473 3.484 -9.353 1.00 0.00 C ATOM 1183 CD ARG A 81 -6.554 2.528 -9.794 1.00 0.00 C ATOM 1184 NE ARG A 81 -6.191 1.138 -9.335 1.00 0.00 N ATOM 1185 CZ ARG A 81 -6.685 0.161 -9.955 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -7.890 -0.192 -9.704 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -5.872 -0.348 -10.780 1.00 0.00 N ATOM 0 H ARG A 81 -1.736 2.003 -9.313 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.987 4.733 -9.111 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.933 3.352 -10.891 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.000 1.951 -9.841 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.464 3.547 -8.265 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.694 4.483 -9.728 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.515 2.825 -9.374 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.659 2.552 -10.879 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.563 0.994 -8.544 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.436 0.317 -9.009 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.304 -0.982 -10.199 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.935 0.042 -10.879 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.154 -1.149 -11.346 1.00 0.00 H new ATOM 1201 N ILE A 82 -3.680 4.464 -6.810 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.019 4.383 -5.358 1.00 0.00 C ATOM 1203 C ILE A 82 -5.489 3.941 -5.293 1.00 0.00 C ATOM 1204 O ILE A 82 -6.340 4.602 -5.852 1.00 0.00 O ATOM 1205 CB ILE A 82 -3.816 5.803 -4.729 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -2.364 6.287 -5.048 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.049 5.728 -3.203 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -2.043 7.601 -4.327 1.00 0.00 C ATOM 0 H ILE A 82 -3.731 5.403 -7.206 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.393 3.681 -4.807 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.529 6.513 -5.149 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.649 5.521 -4.748 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.252 6.423 -6.124 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.908 6.716 -2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.065 5.385 -3.006 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.339 5.030 -2.760 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.026 7.910 -4.570 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.743 8.372 -4.648 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.131 7.456 -3.250 1.00 0.00 H new ATOM 1220 N VAL A 83 -5.755 2.833 -4.640 1.00 0.00 N ATOM 1221 CA VAL A 83 -7.185 2.358 -4.539 1.00 0.00 C ATOM 1222 C VAL A 83 -7.646 2.138 -3.109 1.00 0.00 C ATOM 1223 O VAL A 83 -8.692 2.605 -2.710 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.361 1.032 -5.323 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -8.752 0.427 -4.966 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -7.353 1.362 -6.789 1.00 0.00 C ATOM 0 H VAL A 83 -5.063 2.243 -4.179 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.798 3.151 -4.966 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.567 0.327 -5.076 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.893 -0.507 -5.509 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.801 0.234 -3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.537 1.130 -5.244 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.475 0.447 -7.369 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.172 2.045 -7.013 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.406 1.833 -7.051 1.00 0.00 H new ATOM 1236 N ASP A 84 -6.870 1.419 -2.355 1.00 0.00 N ATOM 1237 CA ASP A 84 -7.340 1.204 -0.931 1.00 0.00 C ATOM 1238 C ASP A 84 -6.370 1.923 0.038 1.00 0.00 C ATOM 1239 O ASP A 84 -5.202 2.112 -0.248 1.00 0.00 O ATOM 1240 CB ASP A 84 -7.433 -0.331 -0.762 1.00 0.00 C ATOM 1241 CG ASP A 84 -7.824 -0.772 0.652 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -8.480 0.000 1.324 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -7.453 -1.878 0.977 1.00 0.00 O ATOM 0 H ASP A 84 -5.985 0.989 -2.622 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.316 1.633 -0.703 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.164 -0.722 -1.470 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.471 -0.775 -1.019 1.00 0.00 H new ATOM 1248 N GLN A 85 -6.903 2.290 1.165 1.00 0.00 N ATOM 1249 CA GLN A 85 -6.175 3.007 2.245 1.00 0.00 C ATOM 1250 C GLN A 85 -6.196 2.127 3.512 1.00 0.00 C ATOM 1251 O GLN A 85 -7.164 2.075 4.251 1.00 0.00 O ATOM 1252 CB GLN A 85 -6.898 4.346 2.489 1.00 0.00 C ATOM 1253 CG GLN A 85 -7.045 5.248 1.217 1.00 0.00 C ATOM 1254 CD GLN A 85 -5.725 5.556 0.523 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -5.459 5.130 -0.576 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -4.828 6.288 1.084 1.00 0.00 N ATOM 0 H GLN A 85 -7.880 2.108 1.394 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.137 3.203 1.975 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.891 4.140 2.889 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.355 4.903 3.253 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.710 4.754 0.508 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.522 6.186 1.502 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.994 6.677 2.012 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -3.950 6.480 0.601 1.00 0.00 H new ATOM 1265 N CYS A 86 -5.098 1.458 3.713 1.00 0.00 N ATOM 1266 CA CYS A 86 -4.902 0.545 4.869 1.00 0.00 C ATOM 1267 C CYS A 86 -3.749 1.052 5.769 1.00 0.00 C ATOM 1268 O CYS A 86 -3.105 2.048 5.519 1.00 0.00 O ATOM 1269 CB CYS A 86 -4.584 -0.865 4.311 1.00 0.00 C ATOM 1270 SG CYS A 86 -3.028 -1.210 3.445 1.00 0.00 S ATOM 0 H CYS A 86 -4.291 1.511 3.092 1.00 0.00 H new ATOM 0 HA CYS A 86 -5.803 0.510 5.482 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.641 -1.558 5.150 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -5.392 -1.125 3.627 1.00 0.00 H new ATOM 1275 N ALA A 87 -3.543 0.308 6.816 1.00 0.00 N ATOM 1276 CA ALA A 87 -2.479 0.616 7.823 1.00 0.00 C ATOM 1277 C ALA A 87 -1.616 -0.637 8.090 1.00 0.00 C ATOM 1278 O ALA A 87 -0.399 -0.633 8.047 1.00 0.00 O ATOM 1279 CB ALA A 87 -3.212 1.128 9.089 1.00 0.00 C ATOM 0 H ALA A 87 -4.084 -0.531 7.027 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.785 1.379 7.471 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.481 1.369 9.860 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.786 2.021 8.841 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.886 0.354 9.457 1.00 0.00 H new ATOM 1285 N ASN A 88 -2.323 -1.705 8.331 1.00 0.00 N ATOM 1286 CA ASN A 88 -1.711 -3.047 8.631 1.00 0.00 C ATOM 1287 C ASN A 88 -1.242 -3.824 7.370 1.00 0.00 C ATOM 1288 O ASN A 88 -1.576 -4.973 7.145 1.00 0.00 O ATOM 1289 CB ASN A 88 -2.802 -3.819 9.421 1.00 0.00 C ATOM 1290 CG ASN A 88 -4.150 -3.858 8.681 1.00 0.00 C ATOM 1291 OD1 ASN A 88 -5.159 -4.210 9.244 1.00 0.00 O ATOM 1292 ND2 ASN A 88 -4.286 -3.513 7.439 1.00 0.00 N ATOM 0 H ASN A 88 -3.343 -1.710 8.334 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.791 -2.926 9.203 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -2.461 -4.838 9.602 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -2.940 -3.351 10.396 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -5.205 -3.549 6.997 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.474 -3.205 6.903 1.00 0.00 H new ATOM 1299 N GLY A 89 -0.474 -3.104 6.598 1.00 0.00 N ATOM 1300 CA GLY A 89 0.121 -3.625 5.320 1.00 0.00 C ATOM 1301 C GLY A 89 1.596 -3.257 5.271 1.00 0.00 C ATOM 1302 O GLY A 89 2.191 -2.904 6.267 1.00 0.00 O ATOM 0 H GLY A 89 -0.222 -2.138 6.805 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.001 -4.707 5.263 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.401 -3.201 4.462 1.00 0.00 H new ATOM 1306 N GLY A 90 2.177 -3.347 4.116 1.00 0.00 N ATOM 1307 CA GLY A 90 3.634 -3.007 3.966 1.00 0.00 C ATOM 1308 C GLY A 90 3.816 -2.137 2.724 1.00 0.00 C ATOM 1309 O GLY A 90 4.813 -2.208 2.049 1.00 0.00 O ATOM 0 H GLY A 90 1.713 -3.642 3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.991 -2.480 4.851 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.226 -3.918 3.878 1.00 0.00 H new ATOM 1313 N LEU A 91 2.759 -1.414 2.525 1.00 0.00 N ATOM 1314 CA LEU A 91 2.515 -0.383 1.415 1.00 0.00 C ATOM 1315 C LEU A 91 1.670 -0.522 0.151 1.00 0.00 C ATOM 1316 O LEU A 91 1.359 0.486 -0.458 1.00 0.00 O ATOM 1317 CB LEU A 91 3.959 0.177 0.977 1.00 0.00 C ATOM 1318 CG LEU A 91 3.900 1.567 0.188 1.00 0.00 C ATOM 1319 CD1 LEU A 91 5.086 2.433 0.626 1.00 0.00 C ATOM 1320 CD2 LEU A 91 4.120 1.326 -1.312 1.00 0.00 C ATOM 0 H LEU A 91 1.953 -1.490 3.145 1.00 0.00 H new ATOM 0 HA LEU A 91 1.787 0.218 1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.576 0.301 1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.451 -0.566 0.349 1.00 0.00 H new ATOM 0 HG LEU A 91 2.935 2.033 0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.058 3.384 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.027 2.615 1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.018 1.917 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.079 2.277 -1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.096 0.866 -1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.342 0.664 -1.692 1.00 0.00 H new ATOM 1332 N ASP A 92 1.286 -1.699 -0.149 1.00 0.00 N ATOM 1333 CA ASP A 92 0.447 -1.930 -1.408 1.00 0.00 C ATOM 1334 C ASP A 92 -0.339 -3.263 -1.617 1.00 0.00 C ATOM 1335 O ASP A 92 0.022 -4.269 -1.058 1.00 0.00 O ATOM 1336 CB ASP A 92 1.426 -1.686 -2.627 1.00 0.00 C ATOM 1337 CG ASP A 92 2.784 -2.389 -2.440 1.00 0.00 C ATOM 1338 OD1 ASP A 92 2.964 -3.235 -1.575 1.00 0.00 O ATOM 1339 OD2 ASP A 92 3.605 -1.988 -3.237 1.00 0.00 O ATOM 0 H ASP A 92 1.494 -2.537 0.395 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.389 -1.239 -1.305 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.957 -2.045 -3.543 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.588 -0.615 -2.750 1.00 0.00 H new ATOM 1344 N LEU A 93 -1.408 -3.304 -2.384 1.00 0.00 N ATOM 1345 CA LEU A 93 -2.123 -4.610 -2.584 1.00 0.00 C ATOM 1346 C LEU A 93 -2.029 -4.751 -4.081 1.00 0.00 C ATOM 1347 O LEU A 93 -2.951 -4.555 -4.832 1.00 0.00 O ATOM 1348 CB LEU A 93 -3.561 -4.455 -1.999 1.00 0.00 C ATOM 1349 CG LEU A 93 -4.781 -5.040 -2.711 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -5.327 -3.938 -3.696 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -4.539 -6.409 -3.383 1.00 0.00 C ATOM 0 H LEU A 93 -1.811 -2.504 -2.872 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.733 -5.500 -2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.543 -4.884 -0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.743 -3.386 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.541 -5.284 -1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.201 -4.322 -4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.606 -3.050 -3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.552 -3.679 -4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.458 -6.746 -3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.753 -6.313 -4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.235 -7.136 -2.629 1.00 0.00 H new ATOM 1363 N ASP A 94 -0.803 -4.959 -4.410 1.00 0.00 N ATOM 1364 CA ASP A 94 -0.299 -5.171 -5.752 1.00 0.00 C ATOM 1365 C ASP A 94 -0.270 -6.623 -6.170 1.00 0.00 C ATOM 1366 O ASP A 94 -1.056 -7.141 -6.917 1.00 0.00 O ATOM 1367 CB ASP A 94 1.075 -4.421 -5.810 1.00 0.00 C ATOM 1368 CG ASP A 94 2.156 -4.769 -4.837 1.00 0.00 C ATOM 1369 OD1 ASP A 94 1.732 -5.169 -3.783 1.00 0.00 O ATOM 1370 OD2 ASP A 94 3.287 -4.597 -5.242 1.00 0.00 O ATOM 0 H ASP A 94 -0.061 -4.991 -3.711 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.972 -4.759 -6.504 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.481 -4.564 -6.811 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.869 -3.356 -5.699 1.00 0.00 H new ATOM 1375 N TRP A 95 0.747 -7.196 -5.604 1.00 0.00 N ATOM 1376 CA TRP A 95 1.208 -8.607 -5.715 1.00 0.00 C ATOM 1377 C TRP A 95 1.850 -8.780 -7.079 1.00 0.00 C ATOM 1378 O TRP A 95 2.861 -9.436 -7.176 1.00 0.00 O ATOM 1379 CB TRP A 95 0.106 -9.641 -5.633 1.00 0.00 C ATOM 1380 CG TRP A 95 0.939 -10.962 -5.667 1.00 0.00 C ATOM 1381 CD1 TRP A 95 1.725 -11.403 -4.636 1.00 0.00 C ATOM 1382 CD2 TRP A 95 1.078 -11.821 -6.704 1.00 0.00 C ATOM 1383 NE1 TRP A 95 2.286 -12.497 -5.117 1.00 0.00 N ATOM 1384 CE2 TRP A 95 1.958 -12.820 -6.350 1.00 0.00 C ATOM 1385 CE3 TRP A 95 0.534 -11.820 -7.968 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 2.297 -13.809 -7.240 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 0.871 -12.811 -8.868 1.00 0.00 C ATOM 1388 CH2 TRP A 95 1.755 -13.803 -8.505 1.00 0.00 C ATOM 0 H TRP A 95 1.356 -6.662 -4.985 1.00 0.00 H new ATOM 0 HA TRP A 95 1.880 -8.772 -4.873 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.482 -9.547 -4.720 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.590 -9.570 -6.469 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.855 -10.960 -3.660 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.935 -13.059 -4.566 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.158 -11.042 -8.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.986 -14.588 -6.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.441 -12.809 -9.859 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.022 -14.575 -9.212 1.00 0.00 H new ATOM 1399 N ASP A 96 1.226 -8.223 -8.070 1.00 0.00 N ATOM 1400 CA ASP A 96 1.739 -8.292 -9.465 1.00 0.00 C ATOM 1401 C ASP A 96 1.922 -6.885 -10.078 1.00 0.00 C ATOM 1402 O ASP A 96 2.520 -6.753 -11.130 1.00 0.00 O ATOM 1403 CB ASP A 96 0.731 -9.087 -10.306 1.00 0.00 C ATOM 1404 CG ASP A 96 -0.675 -8.458 -10.307 1.00 0.00 C ATOM 1405 OD1 ASP A 96 -0.983 -7.570 -9.536 1.00 0.00 O ATOM 1406 OD2 ASP A 96 -1.425 -8.938 -11.133 1.00 0.00 O ATOM 0 H ASP A 96 0.353 -7.705 -7.970 1.00 0.00 H new ATOM 0 HA ASP A 96 2.715 -8.777 -9.457 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.094 -9.155 -11.331 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.668 -10.105 -9.922 1.00 0.00 H new ATOM 1411 N THR A 97 1.421 -5.863 -9.427 1.00 0.00 N ATOM 1412 CA THR A 97 1.543 -4.470 -9.976 1.00 0.00 C ATOM 1413 C THR A 97 2.773 -3.581 -9.643 1.00 0.00 C ATOM 1414 O THR A 97 3.429 -3.177 -10.586 1.00 0.00 O ATOM 1415 CB THR A 97 0.228 -3.687 -9.591 1.00 0.00 C ATOM 1416 OG1 THR A 97 0.461 -3.050 -8.357 1.00 0.00 O ATOM 1417 CG2 THR A 97 -0.985 -4.598 -9.276 1.00 0.00 C ATOM 0 H THR A 97 0.930 -5.931 -8.535 1.00 0.00 H new ATOM 0 HA THR A 97 1.702 -4.652 -11.039 1.00 0.00 H new ATOM 0 HB THR A 97 0.008 -3.043 -10.443 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.334 -3.134 -7.790 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.847 -3.981 -9.021 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.220 -5.206 -10.149 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.743 -5.248 -8.435 1.00 0.00 H new ATOM 1425 N VAL A 98 3.076 -3.260 -8.408 1.00 0.00 N ATOM 1426 CA VAL A 98 4.257 -2.406 -8.031 1.00 0.00 C ATOM 1427 C VAL A 98 5.625 -3.060 -7.743 1.00 0.00 C ATOM 1428 O VAL A 98 6.566 -2.950 -8.504 1.00 0.00 O ATOM 1429 CB VAL A 98 3.818 -1.551 -6.803 1.00 0.00 C ATOM 1430 CG1 VAL A 98 4.939 -0.622 -6.306 1.00 0.00 C ATOM 1431 CG2 VAL A 98 2.649 -0.675 -7.206 1.00 0.00 C ATOM 0 H VAL A 98 2.527 -3.569 -7.606 1.00 0.00 H new ATOM 0 HA VAL A 98 4.483 -1.849 -8.941 1.00 0.00 H new ATOM 0 HB VAL A 98 3.557 -2.244 -6.004 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.583 -0.048 -5.450 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.802 -1.219 -6.010 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.227 0.060 -7.106 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.335 -0.073 -6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.951 -0.019 -8.022 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.820 -1.302 -7.533 1.00 0.00 H new ATOM 1441 N PHE A 99 5.663 -3.742 -6.627 1.00 0.00 N ATOM 1442 CA PHE A 99 6.924 -4.417 -6.181 1.00 0.00 C ATOM 1443 C PHE A 99 7.336 -5.480 -7.208 1.00 0.00 C ATOM 1444 O PHE A 99 8.312 -5.318 -7.912 1.00 0.00 O ATOM 1445 CB PHE A 99 6.638 -4.993 -4.756 1.00 0.00 C ATOM 1446 CG PHE A 99 7.971 -5.075 -3.984 1.00 0.00 C ATOM 1447 CD1 PHE A 99 8.538 -3.930 -3.448 1.00 0.00 C ATOM 1448 CD2 PHE A 99 8.634 -6.271 -3.827 1.00 0.00 C ATOM 1449 CE1 PHE A 99 9.746 -3.983 -2.771 1.00 0.00 C ATOM 1450 CE2 PHE A 99 9.840 -6.328 -3.153 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.396 -5.186 -2.625 1.00 0.00 C ATOM 0 H PHE A 99 4.868 -3.862 -5.999 1.00 0.00 H new ATOM 0 HA PHE A 99 7.771 -3.733 -6.119 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.931 -4.355 -4.225 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.182 -5.980 -4.831 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.031 -2.983 -3.559 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.207 -7.175 -4.235 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.176 -3.082 -2.359 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.348 -7.274 -3.041 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.338 -5.234 -2.099 1.00 0.00 H new ATOM 1461 N THR A 100 6.570 -6.534 -7.272 1.00 0.00 N ATOM 1462 CA THR A 100 6.821 -7.680 -8.233 1.00 0.00 C ATOM 1463 C THR A 100 7.507 -7.321 -9.535 1.00 0.00 C ATOM 1464 O THR A 100 8.349 -8.029 -10.046 1.00 0.00 O ATOM 1465 CB THR A 100 5.526 -8.349 -8.662 1.00 0.00 C ATOM 1466 OG1 THR A 100 4.468 -7.636 -8.053 1.00 0.00 O ATOM 1467 CG2 THR A 100 5.443 -9.769 -8.178 1.00 0.00 C ATOM 0 H THR A 100 5.748 -6.665 -6.682 1.00 0.00 H new ATOM 0 HA THR A 100 7.477 -8.321 -7.643 1.00 0.00 H new ATOM 0 HB THR A 100 5.475 -8.349 -9.751 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.041 -8.200 -7.375 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.502 -10.211 -8.506 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.275 -10.342 -8.587 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.491 -9.786 -7.089 1.00 0.00 H new ATOM 1475 N LYS A 101 7.079 -6.192 -10.019 1.00 0.00 N ATOM 1476 CA LYS A 101 7.581 -5.635 -11.301 1.00 0.00 C ATOM 1477 C LYS A 101 8.917 -4.842 -11.266 1.00 0.00 C ATOM 1478 O LYS A 101 9.671 -4.859 -12.227 1.00 0.00 O ATOM 1479 CB LYS A 101 6.478 -4.728 -11.855 1.00 0.00 C ATOM 1480 CG LYS A 101 5.162 -5.518 -12.046 1.00 0.00 C ATOM 1481 CD LYS A 101 5.086 -6.098 -13.489 1.00 0.00 C ATOM 1482 CE LYS A 101 3.723 -6.766 -13.690 1.00 0.00 C ATOM 1483 NZ LYS A 101 2.676 -5.718 -13.456 1.00 0.00 N ATOM 0 H LYS A 101 6.376 -5.612 -9.561 1.00 0.00 H new ATOM 0 HA LYS A 101 7.817 -6.499 -11.923 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.311 -3.893 -11.174 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.794 -4.304 -12.808 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.106 -6.327 -11.318 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.308 -4.866 -11.863 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.227 -5.303 -14.221 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.886 -6.821 -13.646 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.640 -7.175 -14.697 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.596 -7.598 -12.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.982 -5.741 -14.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.194 -5.904 -12.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.125 -4.780 -13.421 1.00 0.00 H new ATOM 1497 N ILE A 102 9.170 -4.151 -10.178 1.00 0.00 N ATOM 1498 CA ILE A 102 10.462 -3.359 -10.079 1.00 0.00 C ATOM 1499 C ILE A 102 11.616 -4.237 -9.510 1.00 0.00 C ATOM 1500 O ILE A 102 12.775 -3.850 -9.501 1.00 0.00 O ATOM 1501 CB ILE A 102 10.229 -2.093 -9.159 1.00 0.00 C ATOM 1502 CG1 ILE A 102 9.986 -2.494 -7.650 1.00 0.00 C ATOM 1503 CG2 ILE A 102 9.041 -1.255 -9.771 1.00 0.00 C ATOM 1504 CD1 ILE A 102 9.570 -1.293 -6.776 1.00 0.00 C ATOM 0 H ILE A 102 8.558 -4.095 -9.364 1.00 0.00 H new ATOM 0 HA ILE A 102 10.754 -3.036 -11.078 1.00 0.00 H new ATOM 0 HB ILE A 102 11.127 -1.475 -9.142 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.211 -3.259 -7.602 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.896 -2.936 -7.244 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.860 -0.375 -9.154 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.300 -0.942 -10.782 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.140 -1.868 -9.801 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.416 -1.626 -5.750 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.355 -0.537 -6.799 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.644 -0.866 -7.161 1.00 0.00 H new ATOM 1516 N ASP A 103 11.230 -5.410 -9.068 1.00 0.00 N ATOM 1517 CA ASP A 103 12.135 -6.449 -8.484 1.00 0.00 C ATOM 1518 C ASP A 103 12.846 -7.213 -9.606 1.00 0.00 C ATOM 1519 O ASP A 103 12.754 -8.415 -9.743 1.00 0.00 O ATOM 1520 CB ASP A 103 11.317 -7.464 -7.652 1.00 0.00 C ATOM 1521 CG ASP A 103 10.783 -6.968 -6.344 1.00 0.00 C ATOM 1522 OD1 ASP A 103 11.324 -6.016 -5.806 1.00 0.00 O ATOM 1523 OD2 ASP A 103 9.838 -7.645 -5.986 1.00 0.00 O ATOM 0 H ASP A 103 10.254 -5.705 -9.092 1.00 0.00 H new ATOM 0 HA ASP A 103 12.864 -5.947 -7.848 1.00 0.00 H new ATOM 0 HB2 ASP A 103 10.478 -7.806 -8.257 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.945 -8.333 -7.458 1.00 0.00 H new ATOM 1528 N THR A 104 13.545 -6.475 -10.407 1.00 0.00 N ATOM 1529 CA THR A 104 14.302 -7.097 -11.554 1.00 0.00 C ATOM 1530 C THR A 104 15.189 -8.263 -11.068 1.00 0.00 C ATOM 1531 O THR A 104 15.204 -9.363 -11.580 1.00 0.00 O ATOM 1532 CB THR A 104 15.188 -6.028 -12.191 1.00 0.00 C ATOM 1533 OG1 THR A 104 15.917 -5.535 -11.073 1.00 0.00 O ATOM 1534 CG2 THR A 104 14.386 -4.801 -12.647 1.00 0.00 C ATOM 0 H THR A 104 13.635 -5.462 -10.330 1.00 0.00 H new ATOM 0 HA THR A 104 13.586 -7.488 -12.276 1.00 0.00 H new ATOM 0 HB THR A 104 15.738 -6.444 -13.035 1.00 0.00 H new ATOM 0 HG1 THR A 104 16.531 -4.831 -11.368 1.00 0.00 H new ATOM 0 HG21 THR A 104 15.061 -4.070 -13.093 1.00 0.00 H new ATOM 0 HG22 THR A 104 13.643 -5.105 -13.384 1.00 0.00 H new ATOM 0 HG23 THR A 104 13.884 -4.355 -11.788 1.00 0.00 H new ATOM 1542 N ASN A 105 15.924 -7.934 -10.052 1.00 0.00 N ATOM 1543 CA ASN A 105 16.874 -8.865 -9.390 1.00 0.00 C ATOM 1544 C ASN A 105 16.304 -9.520 -8.106 1.00 0.00 C ATOM 1545 O ASN A 105 16.368 -10.725 -7.996 1.00 0.00 O ATOM 1546 CB ASN A 105 18.146 -8.016 -9.115 1.00 0.00 C ATOM 1547 CG ASN A 105 17.832 -6.992 -8.036 1.00 0.00 C ATOM 1548 OD1 ASN A 105 16.781 -6.397 -8.005 1.00 0.00 O ATOM 1549 ND2 ASN A 105 18.669 -6.712 -7.099 1.00 0.00 N ATOM 0 H ASN A 105 15.904 -7.006 -9.630 1.00 0.00 H new ATOM 0 HA ASN A 105 17.089 -9.721 -10.029 1.00 0.00 H new ATOM 0 HB2 ASN A 105 18.967 -8.659 -8.797 1.00 0.00 H new ATOM 0 HB3 ASN A 105 18.469 -7.515 -10.027 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.426 -6.023 -6.388 1.00 0.00 H new ATOM 0 HD22 ASN A 105 19.575 -7.180 -7.068 1.00 0.00 H new ATOM 1556 N GLY A 106 15.784 -8.746 -7.179 1.00 0.00 N ATOM 1557 CA GLY A 106 15.211 -9.301 -5.897 1.00 0.00 C ATOM 1558 C GLY A 106 15.708 -9.123 -4.452 1.00 0.00 C ATOM 1559 O GLY A 106 15.027 -9.543 -3.539 1.00 0.00 O ATOM 0 H GLY A 106 15.730 -7.730 -7.255 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.178 -8.953 -5.881 1.00 0.00 H new ATOM 0 HA3 GLY A 106 15.181 -10.380 -6.050 1.00 0.00 H new ATOM 1563 N ILE A 107 16.870 -8.527 -4.243 1.00 0.00 N ATOM 1564 CA ILE A 107 17.397 -8.329 -2.831 1.00 0.00 C ATOM 1565 C ILE A 107 16.239 -8.099 -1.807 1.00 0.00 C ATOM 1566 O ILE A 107 16.081 -8.830 -0.846 1.00 0.00 O ATOM 1567 CB ILE A 107 18.383 -7.114 -2.830 1.00 0.00 C ATOM 1568 CG1 ILE A 107 19.566 -7.282 -3.849 1.00 0.00 C ATOM 1569 CG2 ILE A 107 18.966 -6.894 -1.398 1.00 0.00 C ATOM 1570 CD1 ILE A 107 20.243 -8.673 -3.777 1.00 0.00 C ATOM 0 H ILE A 107 17.476 -8.170 -4.981 1.00 0.00 H new ATOM 0 HA ILE A 107 17.919 -9.234 -2.520 1.00 0.00 H new ATOM 0 HB ILE A 107 17.803 -6.246 -3.143 1.00 0.00 H new ATOM 0 HG12 ILE A 107 19.192 -7.120 -4.860 1.00 0.00 H new ATOM 0 HG13 ILE A 107 20.313 -6.512 -3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 107 19.651 -6.046 -1.410 1.00 0.00 H new ATOM 0 HG22 ILE A 107 18.152 -6.694 -0.701 1.00 0.00 H new ATOM 0 HG23 ILE A 107 19.502 -7.789 -1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 107 21.051 -8.722 -4.506 1.00 0.00 H new ATOM 0 HD12 ILE A 107 20.647 -8.830 -2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 107 19.508 -9.447 -3.997 1.00 0.00 H new ATOM 1582 N GLY A 108 15.458 -7.074 -2.076 1.00 0.00 N ATOM 1583 CA GLY A 108 14.284 -6.712 -1.202 1.00 0.00 C ATOM 1584 C GLY A 108 13.375 -7.947 -1.068 1.00 0.00 C ATOM 1585 O GLY A 108 13.044 -8.346 0.030 1.00 0.00 O ATOM 0 H GLY A 108 15.586 -6.460 -2.880 1.00 0.00 H new ATOM 0 HA2 GLY A 108 14.629 -6.387 -0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 108 13.730 -5.880 -1.637 1.00 0.00 H new ATOM 1589 N TYR A 109 13.020 -8.514 -2.199 1.00 0.00 N ATOM 1590 CA TYR A 109 12.135 -9.733 -2.288 1.00 0.00 C ATOM 1591 C TYR A 109 12.572 -10.817 -1.267 1.00 0.00 C ATOM 1592 O TYR A 109 11.746 -11.450 -0.635 1.00 0.00 O ATOM 1593 CB TYR A 109 12.224 -10.254 -3.759 1.00 0.00 C ATOM 1594 CG TYR A 109 11.165 -11.314 -4.109 1.00 0.00 C ATOM 1595 CD1 TYR A 109 11.394 -12.652 -3.856 1.00 0.00 C ATOM 1596 CD2 TYR A 109 9.968 -10.944 -4.691 1.00 0.00 C ATOM 1597 CE1 TYR A 109 10.447 -13.599 -4.180 1.00 0.00 C ATOM 1598 CE2 TYR A 109 9.027 -11.903 -5.013 1.00 0.00 C ATOM 1599 CZ TYR A 109 9.258 -13.231 -4.761 1.00 0.00 C ATOM 1600 OH TYR A 109 8.312 -14.178 -5.092 1.00 0.00 O ATOM 0 H TYR A 109 13.321 -8.166 -3.109 1.00 0.00 H new ATOM 0 HA TYR A 109 11.104 -9.483 -2.038 1.00 0.00 H new ATOM 0 HB2 TYR A 109 12.118 -9.410 -4.440 1.00 0.00 H new ATOM 0 HB3 TYR A 109 13.215 -10.676 -3.926 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.324 -12.959 -3.400 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.767 -9.903 -4.895 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.642 -14.641 -3.975 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.096 -11.602 -5.470 1.00 0.00 H new ATOM 0 HH TYR A 109 7.534 -13.737 -5.492 1.00 0.00 H new ATOM 1610 N GLN A 110 13.869 -10.976 -1.136 1.00 0.00 N ATOM 1611 CA GLN A 110 14.442 -12.001 -0.182 1.00 0.00 C ATOM 1612 C GLN A 110 15.017 -11.372 1.114 1.00 0.00 C ATOM 1613 O GLN A 110 15.761 -12.003 1.841 1.00 0.00 O ATOM 1614 CB GLN A 110 15.571 -12.788 -0.922 1.00 0.00 C ATOM 1615 CG GLN A 110 15.353 -14.320 -0.744 1.00 0.00 C ATOM 1616 CD GLN A 110 14.318 -14.833 -1.741 1.00 0.00 C ATOM 1617 OE1 GLN A 110 13.207 -14.363 -1.820 1.00 0.00 O ATOM 1618 NE2 GLN A 110 14.638 -15.803 -2.533 1.00 0.00 N ATOM 0 H GLN A 110 14.567 -10.438 -1.650 1.00 0.00 H new ATOM 0 HA GLN A 110 13.629 -12.660 0.124 1.00 0.00 H new ATOM 0 HB2 GLN A 110 15.570 -12.532 -1.982 1.00 0.00 H new ATOM 0 HB3 GLN A 110 16.545 -12.502 -0.526 1.00 0.00 H new ATOM 0 HG2 GLN A 110 16.297 -14.846 -0.887 1.00 0.00 H new ATOM 0 HG3 GLN A 110 15.022 -14.530 0.273 1.00 0.00 H new ATOM 0 HE21 GLN A 110 15.570 -16.215 -2.484 1.00 0.00 H new ATOM 0 HE22 GLN A 110 13.959 -16.156 -3.207 1.00 0.00 H new ATOM 1627 N GLN A 111 14.643 -10.146 1.354 1.00 0.00 N ATOM 1628 CA GLN A 111 15.108 -9.391 2.561 1.00 0.00 C ATOM 1629 C GLN A 111 13.963 -8.896 3.465 1.00 0.00 C ATOM 1630 O GLN A 111 14.076 -8.952 4.673 1.00 0.00 O ATOM 1631 CB GLN A 111 15.970 -8.243 2.012 1.00 0.00 C ATOM 1632 CG GLN A 111 16.417 -7.249 3.110 1.00 0.00 C ATOM 1633 CD GLN A 111 17.442 -6.292 2.512 1.00 0.00 C ATOM 1634 OE1 GLN A 111 18.614 -6.580 2.422 1.00 0.00 O ATOM 1635 NE2 GLN A 111 17.070 -5.131 2.078 1.00 0.00 N ATOM 0 H GLN A 111 14.016 -9.618 0.748 1.00 0.00 H new ATOM 0 HA GLN A 111 15.676 -10.042 3.226 1.00 0.00 H new ATOM 0 HB2 GLN A 111 16.852 -8.658 1.524 1.00 0.00 H new ATOM 0 HB3 GLN A 111 15.407 -7.705 1.249 1.00 0.00 H new ATOM 0 HG2 GLN A 111 15.559 -6.695 3.491 1.00 0.00 H new ATOM 0 HG3 GLN A 111 16.849 -7.787 3.954 1.00 0.00 H new ATOM 0 HE21 GLN A 111 16.090 -4.854 2.138 1.00 0.00 H new ATOM 0 HE22 GLN A 111 17.757 -4.493 1.676 1.00 0.00 H new ATOM 1644 N GLY A 112 12.893 -8.420 2.875 1.00 0.00 N ATOM 1645 CA GLY A 112 11.728 -7.915 3.699 1.00 0.00 C ATOM 1646 C GLY A 112 11.285 -6.475 3.405 1.00 0.00 C ATOM 1647 O GLY A 112 10.128 -6.145 3.571 1.00 0.00 O ATOM 0 H GLY A 112 12.768 -8.356 1.865 1.00 0.00 H new ATOM 0 HA2 GLY A 112 10.878 -8.578 3.539 1.00 0.00 H new ATOM 0 HA3 GLY A 112 11.994 -7.987 4.754 1.00 0.00 H new ATOM 1651 N HIS A 113 12.228 -5.668 2.999 1.00 0.00 N ATOM 1652 CA HIS A 113 11.980 -4.222 2.662 1.00 0.00 C ATOM 1653 C HIS A 113 13.121 -3.620 1.808 1.00 0.00 C ATOM 1654 O HIS A 113 14.211 -4.164 1.730 1.00 0.00 O ATOM 1655 CB HIS A 113 11.818 -3.444 3.994 1.00 0.00 C ATOM 1656 CG HIS A 113 12.985 -3.750 4.931 1.00 0.00 C ATOM 1657 ND1 HIS A 113 12.852 -4.308 6.084 1.00 0.00 N ATOM 1658 CD2 HIS A 113 14.343 -3.540 4.812 1.00 0.00 C ATOM 1659 CE1 HIS A 113 14.013 -4.446 6.647 1.00 0.00 C ATOM 1660 NE2 HIS A 113 14.970 -3.981 5.883 1.00 0.00 N ATOM 0 H HIS A 113 13.199 -5.957 2.881 1.00 0.00 H new ATOM 0 HA HIS A 113 11.075 -4.143 2.060 1.00 0.00 H new ATOM 0 HB2 HIS A 113 11.774 -2.373 3.795 1.00 0.00 H new ATOM 0 HB3 HIS A 113 10.877 -3.719 4.472 1.00 0.00 H new ATOM 0 HD2 HIS A 113 14.824 -3.079 3.962 1.00 0.00 H new ATOM 0 HE1 HIS A 113 14.170 -4.887 7.620 1.00 0.00 H new ATOM 0 HE2 HIS A 113 15.972 -3.964 6.074 1.00 0.00 H new ATOM 1668 N LEU A 114 12.809 -2.500 1.209 1.00 0.00 N ATOM 1669 CA LEU A 114 13.773 -1.760 0.325 1.00 0.00 C ATOM 1670 C LEU A 114 13.654 -0.227 0.474 1.00 0.00 C ATOM 1671 O LEU A 114 12.853 0.273 1.239 1.00 0.00 O ATOM 1672 CB LEU A 114 13.437 -2.267 -1.078 1.00 0.00 C ATOM 1673 CG LEU A 114 14.182 -1.610 -2.262 1.00 0.00 C ATOM 1674 CD1 LEU A 114 15.708 -1.817 -2.165 1.00 0.00 C ATOM 1675 CD2 LEU A 114 13.715 -2.345 -3.505 1.00 0.00 C ATOM 0 H LEU A 114 11.898 -2.050 1.296 1.00 0.00 H new ATOM 0 HA LEU A 114 14.815 -1.947 0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 114 13.635 -3.338 -1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 114 12.367 -2.136 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 114 13.978 -0.539 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 114 16.195 -1.340 -3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 114 16.077 -1.373 -1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 114 15.932 -2.884 -2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 114 14.208 -1.926 -4.382 1.00 0.00 H new ATOM 0 HD22 LEU A 114 13.966 -3.402 -3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 114 12.635 -2.236 -3.608 1.00 0.00 H new ATOM 1687 N ASN A 115 14.451 0.515 -0.246 1.00 0.00 N ATOM 1688 CA ASN A 115 14.361 1.989 -0.148 1.00 0.00 C ATOM 1689 C ASN A 115 14.004 2.393 -1.592 1.00 0.00 C ATOM 1690 O ASN A 115 14.681 2.033 -2.541 1.00 0.00 O ATOM 1691 CB ASN A 115 15.726 2.488 0.347 1.00 0.00 C ATOM 1692 CG ASN A 115 15.557 3.922 0.841 1.00 0.00 C ATOM 1693 OD1 ASN A 115 15.517 4.844 0.065 1.00 0.00 O ATOM 1694 ND2 ASN A 115 15.442 4.191 2.106 1.00 0.00 N ATOM 0 H ASN A 115 15.155 0.161 -0.893 1.00 0.00 H new ATOM 0 HA ASN A 115 13.630 2.405 0.545 1.00 0.00 H new ATOM 0 HB2 ASN A 115 16.096 1.850 1.150 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.461 2.447 -0.457 1.00 0.00 H new ATOM 0 HD21 ASN A 115 15.323 5.156 2.413 1.00 0.00 H new ATOM 0 HD22 ASN A 115 15.471 3.437 2.792 1.00 0.00 H new ATOM 1701 N VAL A 116 12.918 3.108 -1.687 1.00 0.00 N ATOM 1702 CA VAL A 116 12.430 3.577 -3.020 1.00 0.00 C ATOM 1703 C VAL A 116 12.005 5.046 -2.892 1.00 0.00 C ATOM 1704 O VAL A 116 12.000 5.629 -1.816 1.00 0.00 O ATOM 1705 CB VAL A 116 11.191 2.675 -3.532 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.434 1.138 -3.379 1.00 0.00 C ATOM 1707 CG2 VAL A 116 9.862 3.033 -2.854 1.00 0.00 C ATOM 0 H VAL A 116 12.342 3.391 -0.895 1.00 0.00 H new ATOM 0 HA VAL A 116 13.230 3.482 -3.754 1.00 0.00 H new ATOM 0 HB VAL A 116 11.122 2.912 -4.594 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.562 0.594 -3.742 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.310 0.849 -3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.600 0.899 -2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.071 2.391 -3.242 1.00 0.00 H new ATOM 0 HG22 VAL A 116 9.952 2.888 -1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.617 4.075 -3.060 1.00 0.00 H new ATOM 1717 N ASN A 117 11.650 5.587 -4.021 1.00 0.00 N ATOM 1718 CA ASN A 117 11.211 7.013 -4.041 1.00 0.00 C ATOM 1719 C ASN A 117 9.754 7.042 -4.483 1.00 0.00 C ATOM 1720 O ASN A 117 9.405 6.344 -5.426 1.00 0.00 O ATOM 1721 CB ASN A 117 12.190 7.750 -5.001 1.00 0.00 C ATOM 1722 CG ASN A 117 13.371 8.106 -4.137 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.208 8.791 -3.160 1.00 0.00 O ATOM 1724 ND2 ASN A 117 14.576 7.714 -4.369 1.00 0.00 N ATOM 0 H ASN A 117 11.643 5.112 -4.924 1.00 0.00 H new ATOM 0 HA ASN A 117 11.247 7.514 -3.074 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.486 7.111 -5.833 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.730 8.640 -5.430 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.331 7.986 -3.739 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.775 7.131 -5.182 1.00 0.00 H new ATOM 1731 N TYR A 118 8.935 7.819 -3.810 1.00 0.00 N ATOM 1732 CA TYR A 118 7.514 7.856 -4.230 1.00 0.00 C ATOM 1733 C TYR A 118 6.931 9.261 -4.078 1.00 0.00 C ATOM 1734 O TYR A 118 7.083 9.944 -3.076 1.00 0.00 O ATOM 1735 CB TYR A 118 6.733 6.802 -3.385 1.00 0.00 C ATOM 1736 CG TYR A 118 6.491 7.153 -1.906 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.447 7.976 -1.536 1.00 0.00 C ATOM 1738 CD2 TYR A 118 7.302 6.630 -0.924 1.00 0.00 C ATOM 1739 CE1 TYR A 118 5.219 8.264 -0.205 1.00 0.00 C ATOM 1740 CE2 TYR A 118 7.074 6.921 0.412 1.00 0.00 C ATOM 1741 CZ TYR A 118 6.027 7.742 0.776 1.00 0.00 C ATOM 1742 OH TYR A 118 5.747 8.072 2.085 1.00 0.00 O ATOM 0 H TYR A 118 9.186 8.407 -3.015 1.00 0.00 H new ATOM 0 HA TYR A 118 7.426 7.606 -5.287 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.766 6.633 -3.859 1.00 0.00 H new ATOM 0 HB3 TYR A 118 7.278 5.859 -3.427 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.803 8.398 -2.293 1.00 0.00 H new ATOM 0 HD2 TYR A 118 8.125 5.986 -1.198 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.396 8.907 0.068 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.719 6.503 1.171 1.00 0.00 H new ATOM 0 HH TYR A 118 4.974 8.673 2.113 1.00 0.00 H new ATOM 1752 N GLN A 119 6.272 9.641 -5.135 1.00 0.00 N ATOM 1753 CA GLN A 119 5.631 10.987 -5.164 1.00 0.00 C ATOM 1754 C GLN A 119 4.169 10.843 -5.672 1.00 0.00 C ATOM 1755 O GLN A 119 3.931 10.165 -6.659 1.00 0.00 O ATOM 1756 CB GLN A 119 6.517 11.891 -6.106 1.00 0.00 C ATOM 1757 CG GLN A 119 8.060 11.966 -5.640 1.00 0.00 C ATOM 1758 CD GLN A 119 8.282 12.774 -4.352 1.00 0.00 C ATOM 1759 OE1 GLN A 119 9.357 12.907 -3.804 1.00 0.00 O ATOM 1760 NE2 GLN A 119 7.274 13.349 -3.800 1.00 0.00 N ATOM 0 H GLN A 119 6.149 9.081 -5.979 1.00 0.00 H new ATOM 0 HA GLN A 119 5.576 11.448 -4.178 1.00 0.00 H new ATOM 0 HB2 GLN A 119 6.469 11.502 -7.123 1.00 0.00 H new ATOM 0 HB3 GLN A 119 6.101 12.898 -6.130 1.00 0.00 H new ATOM 0 HG2 GLN A 119 8.434 10.953 -5.491 1.00 0.00 H new ATOM 0 HG3 GLN A 119 8.651 12.409 -6.442 1.00 0.00 H new ATOM 0 HE21 GLN A 119 6.348 13.269 -4.220 1.00 0.00 H new ATOM 0 HE22 GLN A 119 7.400 13.886 -2.942 1.00 0.00 H new ATOM 1769 N PHE A 120 3.213 11.448 -5.002 1.00 0.00 N ATOM 1770 CA PHE A 120 1.800 11.332 -5.488 1.00 0.00 C ATOM 1771 C PHE A 120 1.792 12.060 -6.839 1.00 0.00 C ATOM 1772 O PHE A 120 2.394 13.105 -7.020 1.00 0.00 O ATOM 1773 CB PHE A 120 0.874 11.984 -4.426 1.00 0.00 C ATOM 1774 CG PHE A 120 0.514 10.925 -3.363 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.476 10.129 -2.759 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.804 10.751 -2.999 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.123 9.185 -1.819 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -1.163 9.804 -2.056 1.00 0.00 C ATOM 1779 CZ PHE A 120 -0.198 9.020 -1.466 1.00 0.00 C ATOM 0 H PHE A 120 3.346 12.005 -4.158 1.00 0.00 H new ATOM 0 HA PHE A 120 1.442 10.311 -5.622 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.374 12.833 -3.959 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.030 12.367 -4.898 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.515 10.250 -3.029 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.568 11.363 -3.456 1.00 0.00 H new ATOM 0 HE1 PHE A 120 1.884 8.573 -1.358 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -2.201 9.680 -1.783 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.475 8.279 -0.730 1.00 0.00 H new ATOM 1789 N VAL A 121 1.099 11.441 -7.741 1.00 0.00 N ATOM 1790 CA VAL A 121 0.954 11.935 -9.140 1.00 0.00 C ATOM 1791 C VAL A 121 -0.483 11.731 -9.652 1.00 0.00 C ATOM 1792 O VAL A 121 -1.215 10.914 -9.129 1.00 0.00 O ATOM 1793 CB VAL A 121 2.065 11.134 -9.940 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.495 10.271 -11.101 1.00 0.00 C ATOM 1795 CG2 VAL A 121 3.093 12.119 -10.550 1.00 0.00 C ATOM 0 H VAL A 121 0.601 10.569 -7.561 1.00 0.00 H new ATOM 0 HA VAL A 121 1.105 13.009 -9.252 1.00 0.00 H new ATOM 0 HB VAL A 121 2.526 10.465 -9.213 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.311 9.752 -11.603 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.792 9.540 -10.700 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.981 10.915 -11.815 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.852 11.560 -11.097 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.584 12.801 -11.230 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.568 12.690 -9.752 1.00 0.00 H new ATOM 1805 N ASP A 122 -0.858 12.467 -10.659 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.243 12.275 -11.174 1.00 0.00 C ATOM 1807 C ASP A 122 -2.148 11.179 -12.242 1.00 0.00 C ATOM 1808 O ASP A 122 -1.116 10.984 -12.858 1.00 0.00 O ATOM 1809 CB ASP A 122 -2.729 13.590 -11.768 1.00 0.00 C ATOM 1810 CG ASP A 122 -2.868 14.601 -10.659 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -1.855 15.190 -10.333 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -3.989 14.714 -10.200 1.00 0.00 O ATOM 0 H ASP A 122 -0.291 13.169 -11.134 1.00 0.00 H new ATOM 0 HA ASP A 122 -2.949 11.983 -10.396 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.025 13.948 -12.519 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -3.686 13.447 -12.270 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.237 10.495 -12.448 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.201 9.412 -13.462 1.00 0.00 C ATOM 1819 C CYS A 123 -3.247 9.978 -14.874 1.00 0.00 C ATOM 1820 O CYS A 123 -2.389 9.708 -15.689 1.00 0.00 O ATOM 1821 CB CYS A 123 -4.387 8.506 -13.145 1.00 0.00 C ATOM 1822 SG CYS A 123 -4.563 8.031 -11.410 1.00 0.00 S ATOM 0 H CYS A 123 -4.128 10.634 -11.971 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.271 8.844 -13.421 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -5.301 9.010 -13.460 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -4.300 7.600 -13.744 1.00 0.00 H new ATOM 1827 N ARG A 124 -4.272 10.746 -15.072 1.00 0.00 N ATOM 1828 CA ARG A 124 -4.531 11.417 -16.376 1.00 0.00 C ATOM 1829 C ARG A 124 -4.825 10.339 -17.448 1.00 0.00 C ATOM 1830 O ARG A 124 -4.143 10.278 -18.452 1.00 0.00 O ATOM 1831 CB ARG A 124 -3.253 12.288 -16.676 1.00 0.00 C ATOM 1832 CG ARG A 124 -3.553 13.555 -17.514 1.00 0.00 C ATOM 1833 CD ARG A 124 -3.957 13.204 -18.951 1.00 0.00 C ATOM 1834 NE ARG A 124 -4.120 14.537 -19.642 1.00 0.00 N ATOM 1835 CZ ARG A 124 -5.256 14.946 -20.074 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -6.278 14.723 -19.353 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -5.312 15.558 -21.192 1.00 0.00 N ATOM 0 H ARG A 124 -4.971 10.946 -14.357 1.00 0.00 H new ATOM 0 HA ARG A 124 -5.404 12.069 -16.368 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -2.796 12.586 -15.732 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.522 11.677 -17.205 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -4.353 14.123 -17.040 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -2.672 14.197 -17.530 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -3.195 12.596 -19.439 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -4.884 12.631 -18.973 1.00 0.00 H new ATOM 0 HE ARG A 124 -3.300 15.131 -19.769 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -6.178 14.234 -18.464 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -7.199 15.033 -19.663 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -4.460 15.716 -21.730 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -6.209 15.889 -21.548 1.00 0.00 H new ATOM 1851 N ASP A 125 -5.836 9.545 -17.167 1.00 0.00 N ATOM 1852 CA ASP A 125 -6.259 8.458 -18.100 1.00 0.00 C ATOM 1853 C ASP A 125 -7.231 9.146 -19.132 1.00 0.00 C ATOM 1854 O ASP A 125 -8.413 8.834 -19.190 1.00 0.00 O ATOM 1855 CB ASP A 125 -6.939 7.362 -17.203 1.00 0.00 C ATOM 1856 CG ASP A 125 -6.904 5.986 -17.857 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -5.805 5.448 -17.844 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -7.932 5.521 -18.322 1.00 0.00 O ATOM 1859 OXT ASP A 125 -6.705 9.997 -19.834 1.00 0.00 O ATOM 0 H ASP A 125 -6.392 9.610 -16.314 1.00 0.00 H new ATOM 0 HA ASP A 125 -5.462 7.972 -18.663 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -6.433 7.318 -16.239 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -7.974 7.644 -17.008 1.00 0.00 H new TER 1864 ASP A 125