USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 608 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 24 GLN : amide:sc= -0.79 K(o=-0.6,f=-5.3!) USER MOD Set 1.2: A 44 SER OG : rot 180:sc= 0.193 USER MOD Set 2.1: A 37 GLN : amide:sc= -0.335 K(o=-3.5,f=-7.7!) USER MOD Set 2.2: A 60 MET CE :methyl 138:sc= -3.19 (180deg=-2.81!) USER MOD Set 3.1: A 20 THR OG1 : rot -13:sc= 0.352 USER MOD Set 3.2: A 25 GLN : amide:sc= -2.11 K(o=-2.5,f=-0.61) USER MOD Set 3.3: A 27 GLN : amide:sc= -0.707 K(o=-2.5,f=-4.5!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0.266 K(o=0.27,f=-4.2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.0375 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -153:sc= -1.75 (180deg=-3.26!) USER MOD Single : A 54 SER OG : rot 6:sc= 0.443 USER MOD Single : A 55 HIS : no HD1:sc= -0.0841 X(o=-0.084,f=-0.087) USER MOD Single : A 56 TYR OH : rot 30:sc= -0.261 USER MOD Single : A 63 SER OG : rot 37:sc= 0.0506 USER MOD Single : A 66 LYS NZ :NH3+ -164:sc= 0.0714 (180deg=-0.0172) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 88:sc= 0.103 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 174:sc= -3.2! (180deg=-3.22!) USER MOD Single : A 89 SER OG : rot 180:sc= 0.225 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 20 -7.414 -4.907 12.344 1.00 0.00 N ATOM 2 CA THR A 20 -8.213 -4.013 13.208 1.00 0.00 C ATOM 3 C THR A 20 -8.565 -4.706 14.541 1.00 0.00 C ATOM 4 O THR A 20 -9.662 -5.250 14.700 1.00 0.00 O ATOM 5 CB THR A 20 -9.507 -3.511 12.465 1.00 0.00 C ATOM 6 OG1 THR A 20 -10.178 -4.628 11.861 1.00 0.00 O ATOM 7 CG2 THR A 20 -9.203 -2.461 11.382 1.00 0.00 C ATOM 0 HA THR A 20 -7.606 -3.137 13.438 1.00 0.00 H new ATOM 0 HB THR A 20 -10.141 -3.036 13.214 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.583 -5.407 11.863 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.132 -2.152 10.904 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.725 -1.595 11.839 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.536 -2.891 10.635 1.00 0.00 H new ATOM 15 N GLU A 21 -7.597 -4.738 15.478 1.00 0.00 N ATOM 16 CA GLU A 21 -7.848 -5.130 16.887 1.00 0.00 C ATOM 17 C GLU A 21 -7.952 -3.845 17.729 1.00 0.00 C ATOM 18 O GLU A 21 -8.858 -3.687 18.550 1.00 0.00 O ATOM 19 CB GLU A 21 -6.727 -6.096 17.386 1.00 0.00 C ATOM 20 CG GLU A 21 -5.276 -5.553 17.304 1.00 0.00 C ATOM 21 CD GLU A 21 -4.211 -6.644 17.500 1.00 0.00 C ATOM 22 OE1 GLU A 21 -3.898 -6.996 18.659 1.00 0.00 O ATOM 23 OE2 GLU A 21 -3.699 -7.169 16.485 1.00 0.00 O ATOM 0 H GLU A 21 -6.625 -4.496 15.286 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.785 -5.679 16.982 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.937 -6.360 18.422 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.783 -7.017 16.805 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.127 -5.078 16.334 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.140 -4.781 18.061 1.00 0.00 H new ATOM 30 N THR A 22 -6.993 -2.944 17.503 1.00 0.00 N ATOM 31 CA THR A 22 -7.078 -1.522 17.809 1.00 0.00 C ATOM 32 C THR A 22 -7.093 -0.803 16.451 1.00 0.00 C ATOM 33 O THR A 22 -6.069 -0.778 15.746 1.00 0.00 O ATOM 34 CB THR A 22 -5.898 -1.041 18.740 1.00 0.00 C ATOM 35 OG1 THR A 22 -5.884 0.396 18.833 1.00 0.00 O ATOM 36 CG2 THR A 22 -4.513 -1.553 18.284 1.00 0.00 C ATOM 0 H THR A 22 -6.099 -3.201 17.084 1.00 0.00 H new ATOM 0 HA THR A 22 -7.978 -1.292 18.379 1.00 0.00 H new ATOM 0 HB THR A 22 -6.087 -1.474 19.722 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.148 0.679 19.415 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.747 -1.186 18.967 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.509 -2.643 18.286 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.305 -1.191 17.277 1.00 0.00 H new ATOM 44 N SER A 23 -8.254 -0.288 16.023 1.00 0.00 N ATOM 45 CA SER A 23 -8.405 0.238 14.662 1.00 0.00 C ATOM 46 C SER A 23 -7.948 1.707 14.580 1.00 0.00 C ATOM 47 O SER A 23 -8.757 2.628 14.430 1.00 0.00 O ATOM 48 CB SER A 23 -9.872 0.062 14.199 1.00 0.00 C ATOM 49 OG SER A 23 -10.054 0.429 12.840 1.00 0.00 O ATOM 0 H SER A 23 -9.096 -0.225 16.596 1.00 0.00 H new ATOM 0 HA SER A 23 -7.762 -0.327 13.987 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.172 -0.977 14.336 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.525 0.668 14.828 1.00 0.00 H new ATOM 0 HG SER A 23 -10.993 0.301 12.590 1.00 0.00 H new ATOM 55 N GLN A 24 -6.637 1.919 14.760 1.00 0.00 N ATOM 56 CA GLN A 24 -5.933 3.057 14.168 1.00 0.00 C ATOM 57 C GLN A 24 -5.559 2.684 12.724 1.00 0.00 C ATOM 58 O GLN A 24 -5.664 3.488 11.798 1.00 0.00 O ATOM 59 CB GLN A 24 -4.719 3.512 15.050 1.00 0.00 C ATOM 60 CG GLN A 24 -3.537 2.516 15.232 1.00 0.00 C ATOM 61 CD GLN A 24 -2.488 2.556 14.109 1.00 0.00 C ATOM 62 OE1 GLN A 24 -2.301 3.581 13.448 1.00 0.00 O ATOM 63 NE2 GLN A 24 -1.783 1.455 13.897 1.00 0.00 N ATOM 0 H GLN A 24 -6.040 1.308 15.318 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.578 3.935 14.134 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.319 4.430 14.620 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.100 3.763 16.040 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.043 2.728 16.180 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.938 1.505 15.301 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.958 0.621 14.458 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.065 1.441 13.173 1.00 0.00 H new ATOM 72 N GLN A 25 -5.148 1.414 12.556 1.00 0.00 N ATOM 73 CA GLN A 25 -4.686 0.867 11.275 1.00 0.00 C ATOM 74 C GLN A 25 -5.839 0.234 10.483 1.00 0.00 C ATOM 75 O GLN A 25 -6.849 -0.208 11.043 1.00 0.00 O ATOM 76 CB GLN A 25 -3.505 -0.125 11.507 1.00 0.00 C ATOM 77 CG GLN A 25 -3.727 -1.230 12.577 1.00 0.00 C ATOM 78 CD GLN A 25 -4.555 -2.439 12.124 1.00 0.00 C ATOM 79 OE1 GLN A 25 -5.242 -3.064 12.930 1.00 0.00 O ATOM 80 NE2 GLN A 25 -4.467 -2.801 10.848 1.00 0.00 N ATOM 0 H GLN A 25 -5.129 0.734 13.316 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.312 1.686 10.661 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.276 -0.610 10.558 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.625 0.453 11.791 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.753 -1.586 12.913 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.217 -0.780 13.440 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.889 -2.262 10.204 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.978 -3.618 10.513 1.00 0.00 H new ATOM 89 N LEU A 26 -5.650 0.226 9.166 1.00 0.00 N ATOM 90 CA LEU A 26 -6.607 -0.258 8.168 1.00 0.00 C ATOM 91 C LEU A 26 -6.000 -1.468 7.422 1.00 0.00 C ATOM 92 O LEU A 26 -4.777 -1.554 7.292 1.00 0.00 O ATOM 93 CB LEU A 26 -6.885 0.906 7.164 1.00 0.00 C ATOM 94 CG LEU A 26 -7.146 2.321 7.790 1.00 0.00 C ATOM 95 CD1 LEU A 26 -7.207 3.415 6.702 1.00 0.00 C ATOM 96 CD2 LEU A 26 -8.423 2.332 8.666 1.00 0.00 C ATOM 0 H LEU A 26 -4.788 0.572 8.744 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.536 -0.571 8.644 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.034 0.984 6.487 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.750 0.636 6.559 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.301 2.546 8.441 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.389 4.383 7.169 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.260 3.445 6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.015 3.191 6.005 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.570 3.329 9.082 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.285 2.062 8.056 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.314 1.613 9.478 1.00 0.00 H new ATOM 108 N GLN A 27 -6.848 -2.394 6.936 1.00 0.00 N ATOM 109 CA GLN A 27 -6.411 -3.500 6.045 1.00 0.00 C ATOM 110 C GLN A 27 -6.823 -3.150 4.608 1.00 0.00 C ATOM 111 O GLN A 27 -8.021 -3.135 4.299 1.00 0.00 O ATOM 112 CB GLN A 27 -7.030 -4.880 6.430 1.00 0.00 C ATOM 113 CG GLN A 27 -6.632 -5.455 7.806 1.00 0.00 C ATOM 114 CD GLN A 27 -7.348 -4.791 8.975 1.00 0.00 C ATOM 115 OE1 GLN A 27 -6.847 -3.847 9.583 1.00 0.00 O ATOM 116 NE2 GLN A 27 -8.548 -5.268 9.279 1.00 0.00 N ATOM 0 H GLN A 27 -7.847 -2.403 7.144 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.330 -3.599 6.146 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.116 -4.787 6.401 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.751 -5.604 5.664 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.846 -6.524 7.819 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.556 -5.344 7.939 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.933 -6.053 8.753 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.086 -4.850 10.038 1.00 0.00 H new ATOM 125 N LEU A 28 -5.839 -2.839 3.739 1.00 0.00 N ATOM 126 CA LEU A 28 -6.102 -2.461 2.334 1.00 0.00 C ATOM 127 C LEU A 28 -5.568 -3.558 1.401 1.00 0.00 C ATOM 128 O LEU A 28 -4.478 -4.105 1.628 1.00 0.00 O ATOM 129 CB LEU A 28 -5.465 -1.089 1.944 1.00 0.00 C ATOM 130 CG LEU A 28 -5.761 0.149 2.857 1.00 0.00 C ATOM 131 CD1 LEU A 28 -7.263 0.284 3.172 1.00 0.00 C ATOM 132 CD2 LEU A 28 -4.904 0.151 4.134 1.00 0.00 C ATOM 0 H LEU A 28 -4.850 -2.842 3.987 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.181 -2.355 2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.384 -1.223 1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.793 -0.844 0.934 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.473 1.033 2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.425 1.155 3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.820 0.404 2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.608 -0.611 3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.146 1.029 4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.109 -0.750 4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.848 0.176 3.864 1.00 0.00 H new ATOM 144 N ARG A 29 -6.340 -3.858 0.350 1.00 0.00 N ATOM 145 CA ARG A 29 -6.003 -4.895 -0.633 1.00 0.00 C ATOM 146 C ARG A 29 -5.238 -4.284 -1.823 1.00 0.00 C ATOM 147 O ARG A 29 -5.789 -3.496 -2.581 1.00 0.00 O ATOM 148 CB ARG A 29 -7.300 -5.601 -1.098 1.00 0.00 C ATOM 149 CG ARG A 29 -8.042 -6.364 0.027 1.00 0.00 C ATOM 150 CD ARG A 29 -9.383 -6.958 -0.447 1.00 0.00 C ATOM 151 NE ARG A 29 -9.218 -7.790 -1.661 1.00 0.00 N ATOM 152 CZ ARG A 29 -9.301 -9.130 -1.722 1.00 0.00 C ATOM 153 NH1 ARG A 29 -9.487 -9.858 -0.628 1.00 0.00 N ATOM 154 NH2 ARG A 29 -9.172 -9.735 -2.891 1.00 0.00 N ATOM 0 H ARG A 29 -7.223 -3.385 0.156 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.350 -5.635 -0.172 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.974 -4.857 -1.523 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.054 -6.301 -1.896 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.404 -7.166 0.399 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.223 -5.687 0.862 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.815 -7.561 0.351 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.086 -6.151 -0.653 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.023 -7.299 -2.534 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.570 -9.402 0.280 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.547 -10.874 -0.696 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.011 -9.185 -3.735 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.233 -10.752 -2.949 1.00 0.00 H new ATOM 168 N VAL A 30 -3.960 -4.656 -1.952 1.00 0.00 N ATOM 169 CA VAL A 30 -3.090 -4.282 -3.086 1.00 0.00 C ATOM 170 C VAL A 30 -3.038 -5.458 -4.075 1.00 0.00 C ATOM 171 O VAL A 30 -2.483 -6.516 -3.774 1.00 0.00 O ATOM 172 CB VAL A 30 -1.616 -3.890 -2.620 1.00 0.00 C ATOM 173 CG1 VAL A 30 -1.474 -2.376 -2.405 1.00 0.00 C ATOM 174 CG2 VAL A 30 -1.189 -4.658 -1.343 1.00 0.00 C ATOM 0 H VAL A 30 -3.486 -5.237 -1.260 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.513 -3.398 -3.563 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.947 -4.184 -3.428 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.456 -2.147 -2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.690 -1.854 -3.337 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.175 -2.050 -1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.179 -4.361 -1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.877 -4.424 -0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.211 -5.730 -1.539 1.00 0.00 H new ATOM 184 N GLN A 31 -3.596 -5.255 -5.275 1.00 0.00 N ATOM 185 CA GLN A 31 -3.769 -6.331 -6.264 1.00 0.00 C ATOM 186 C GLN A 31 -3.138 -5.897 -7.588 1.00 0.00 C ATOM 187 O GLN A 31 -3.352 -4.764 -8.039 1.00 0.00 O ATOM 188 CB GLN A 31 -5.271 -6.672 -6.457 1.00 0.00 C ATOM 189 CG GLN A 31 -5.983 -7.211 -5.197 1.00 0.00 C ATOM 190 CD GLN A 31 -7.478 -7.522 -5.396 1.00 0.00 C ATOM 191 OE1 GLN A 31 -8.269 -7.410 -4.463 1.00 0.00 O ATOM 192 NE2 GLN A 31 -7.878 -7.954 -6.592 1.00 0.00 N ATOM 0 H GLN A 31 -3.939 -4.347 -5.588 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.273 -7.232 -5.904 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.791 -5.776 -6.795 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.361 -7.412 -7.252 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.476 -8.118 -4.868 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.880 -6.480 -4.395 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.206 -8.040 -7.354 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.856 -8.198 -6.745 1.00 0.00 H new ATOM 201 N GLY A 32 -2.356 -6.804 -8.193 1.00 0.00 N ATOM 202 CA GLY A 32 -1.689 -6.546 -9.469 1.00 0.00 C ATOM 203 C GLY A 32 -2.589 -6.812 -10.660 1.00 0.00 C ATOM 204 O GLY A 32 -3.694 -7.349 -10.505 1.00 0.00 O ATOM 0 H GLY A 32 -2.172 -7.731 -7.810 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.353 -5.509 -9.496 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.800 -7.172 -9.543 1.00 0.00 H new ATOM 208 N LYS A 33 -2.126 -6.401 -11.854 1.00 0.00 N ATOM 209 CA LYS A 33 -2.789 -6.691 -13.151 1.00 0.00 C ATOM 210 C LYS A 33 -3.030 -8.202 -13.411 1.00 0.00 C ATOM 211 O LYS A 33 -3.790 -8.558 -14.318 1.00 0.00 O ATOM 212 CB LYS A 33 -1.945 -6.076 -14.295 1.00 0.00 C ATOM 213 CG LYS A 33 -1.776 -4.539 -14.197 1.00 0.00 C ATOM 214 CD LYS A 33 -0.810 -3.962 -15.255 1.00 0.00 C ATOM 215 CE LYS A 33 -1.275 -4.208 -16.701 1.00 0.00 C ATOM 216 NZ LYS A 33 -0.321 -3.651 -17.689 1.00 0.00 N ATOM 0 H LYS A 33 -1.272 -5.852 -11.953 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.780 -6.239 -13.112 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.959 -6.540 -14.295 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.412 -6.320 -15.249 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.751 -4.065 -14.309 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.410 -4.283 -13.203 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.703 -2.890 -15.093 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.176 -4.406 -15.117 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.388 -5.279 -16.869 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.256 -3.757 -16.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.669 -3.837 -18.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.232 -2.625 -17.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.609 -4.100 -17.565 1.00 0.00 H new ATOM 230 N GLU A 34 -2.357 -9.081 -12.644 1.00 0.00 N ATOM 231 CA GLU A 34 -2.608 -10.533 -12.669 1.00 0.00 C ATOM 232 C GLU A 34 -3.742 -10.877 -11.685 1.00 0.00 C ATOM 233 O GLU A 34 -3.794 -10.325 -10.575 1.00 0.00 O ATOM 234 CB GLU A 34 -1.325 -11.304 -12.263 1.00 0.00 C ATOM 235 CG GLU A 34 -0.093 -11.003 -13.135 1.00 0.00 C ATOM 236 CD GLU A 34 1.195 -11.651 -12.598 1.00 0.00 C ATOM 237 OE1 GLU A 34 1.675 -11.221 -11.522 1.00 0.00 O ATOM 238 OE2 GLU A 34 1.714 -12.599 -13.227 1.00 0.00 O ATOM 0 H GLU A 34 -1.625 -8.804 -11.990 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.896 -10.824 -13.679 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.087 -11.066 -11.226 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.531 -12.374 -12.305 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.277 -11.358 -14.149 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.048 -9.924 -13.196 1.00 0.00 H new ATOM 245 N LYS A 35 -4.627 -11.803 -12.093 1.00 0.00 N ATOM 246 CA LYS A 35 -5.720 -12.312 -11.240 1.00 0.00 C ATOM 247 C LYS A 35 -5.159 -13.088 -10.024 1.00 0.00 C ATOM 248 O LYS A 35 -5.716 -13.018 -8.924 1.00 0.00 O ATOM 249 CB LYS A 35 -6.680 -13.206 -12.072 1.00 0.00 C ATOM 250 CG LYS A 35 -6.012 -14.447 -12.716 1.00 0.00 C ATOM 251 CD LYS A 35 -6.981 -15.309 -13.554 1.00 0.00 C ATOM 252 CE LYS A 35 -8.132 -15.911 -12.730 1.00 0.00 C ATOM 253 NZ LYS A 35 -8.945 -16.847 -13.543 1.00 0.00 N ATOM 0 H LYS A 35 -4.606 -12.221 -13.023 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.284 -11.460 -10.859 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.493 -13.541 -11.428 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.127 -12.600 -12.860 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.190 -14.117 -13.352 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.578 -15.064 -11.929 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.398 -14.699 -14.355 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.421 -16.116 -14.026 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.727 -16.435 -11.865 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.767 -15.111 -12.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.713 -17.236 -12.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.350 -16.339 -14.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.343 -17.623 -13.885 1.00 0.00 H new ATOM 267 N HIS A 36 -4.031 -13.805 -10.243 1.00 0.00 N ATOM 268 CA HIS A 36 -3.330 -14.557 -9.184 1.00 0.00 C ATOM 269 C HIS A 36 -2.715 -13.592 -8.154 1.00 0.00 C ATOM 270 O HIS A 36 -2.697 -13.884 -6.951 1.00 0.00 O ATOM 271 CB HIS A 36 -2.222 -15.472 -9.783 1.00 0.00 C ATOM 272 CG HIS A 36 -1.390 -16.184 -8.737 1.00 0.00 C ATOM 273 ND1 HIS A 36 -0.149 -15.737 -8.328 1.00 0.00 N ATOM 274 CD2 HIS A 36 -1.654 -17.276 -7.986 1.00 0.00 C ATOM 275 CE1 HIS A 36 0.305 -16.519 -7.371 1.00 0.00 C ATOM 276 NE2 HIS A 36 -0.590 -17.459 -7.146 1.00 0.00 N ATOM 0 H HIS A 36 -3.585 -13.876 -11.158 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.064 -15.190 -8.684 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -2.687 -16.214 -10.432 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -1.564 -14.869 -10.409 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.541 -17.890 -8.039 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.249 -16.409 -6.858 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -0.503 -18.205 -6.455 1.00 0.00 H new ATOM 285 N GLN A 37 -2.211 -12.444 -8.650 1.00 0.00 N ATOM 286 CA GLN A 37 -1.521 -11.452 -7.818 1.00 0.00 C ATOM 287 C GLN A 37 -2.537 -10.665 -6.963 1.00 0.00 C ATOM 288 O GLN A 37 -3.056 -9.621 -7.380 1.00 0.00 O ATOM 289 CB GLN A 37 -0.678 -10.492 -8.710 1.00 0.00 C ATOM 290 CG GLN A 37 0.171 -9.481 -7.928 1.00 0.00 C ATOM 291 CD GLN A 37 1.234 -10.127 -7.039 1.00 0.00 C ATOM 292 OE1 GLN A 37 0.959 -10.484 -5.897 1.00 0.00 O ATOM 293 NE2 GLN A 37 2.454 -10.249 -7.544 1.00 0.00 N ATOM 0 H GLN A 37 -2.273 -12.184 -9.634 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.842 -11.972 -7.142 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.020 -11.088 -9.343 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.351 -9.947 -9.373 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.660 -8.808 -8.633 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.486 -8.871 -7.308 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.644 -9.941 -8.498 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.202 -10.651 -6.979 1.00 0.00 H new ATOM 302 N THR A 38 -2.874 -11.232 -5.794 1.00 0.00 N ATOM 303 CA THR A 38 -3.692 -10.581 -4.766 1.00 0.00 C ATOM 304 C THR A 38 -2.893 -10.556 -3.454 1.00 0.00 C ATOM 305 O THR A 38 -2.411 -11.603 -3.004 1.00 0.00 O ATOM 306 CB THR A 38 -5.035 -11.367 -4.551 1.00 0.00 C ATOM 307 OG1 THR A 38 -5.735 -11.492 -5.803 1.00 0.00 O ATOM 308 CG2 THR A 38 -5.954 -10.683 -3.518 1.00 0.00 C ATOM 0 H THR A 38 -2.579 -12.173 -5.535 1.00 0.00 H new ATOM 0 HA THR A 38 -3.936 -9.567 -5.083 1.00 0.00 H new ATOM 0 HB THR A 38 -4.774 -12.352 -4.164 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.571 -11.984 -5.663 1.00 0.00 H new ATOM 0 HG21 THR A 38 -6.869 -11.264 -3.404 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.441 -10.623 -2.558 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.202 -9.678 -3.861 1.00 0.00 H new ATOM 316 N LEU A 39 -2.750 -9.372 -2.852 1.00 0.00 N ATOM 317 CA LEU A 39 -2.023 -9.193 -1.583 1.00 0.00 C ATOM 318 C LEU A 39 -2.814 -8.190 -0.741 1.00 0.00 C ATOM 319 O LEU A 39 -3.423 -7.277 -1.284 1.00 0.00 O ATOM 320 CB LEU A 39 -0.558 -8.715 -1.892 1.00 0.00 C ATOM 321 CG LEU A 39 0.556 -8.871 -0.782 1.00 0.00 C ATOM 322 CD1 LEU A 39 0.635 -7.687 0.198 1.00 0.00 C ATOM 323 CD2 LEU A 39 0.425 -10.213 -0.041 1.00 0.00 C ATOM 0 H LEU A 39 -3.135 -8.506 -3.229 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.936 -10.122 -1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.217 -9.254 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.607 -7.660 -2.161 1.00 0.00 H new ATOM 0 HG LEU A 39 1.506 -8.866 -1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.423 -7.871 0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.857 -6.773 -0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.319 -7.577 0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.206 -10.289 0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.552 -10.270 0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.528 -11.033 -0.752 1.00 0.00 H new ATOM 335 N GLU A 40 -2.871 -8.404 0.572 1.00 0.00 N ATOM 336 CA GLU A 40 -3.525 -7.473 1.504 1.00 0.00 C ATOM 337 C GLU A 40 -2.596 -7.255 2.701 1.00 0.00 C ATOM 338 O GLU A 40 -1.965 -8.203 3.195 1.00 0.00 O ATOM 339 CB GLU A 40 -4.932 -7.990 1.916 1.00 0.00 C ATOM 340 CG GLU A 40 -4.931 -9.314 2.699 1.00 0.00 C ATOM 341 CD GLU A 40 -6.342 -9.836 3.002 1.00 0.00 C ATOM 342 OE1 GLU A 40 -6.904 -10.578 2.162 1.00 0.00 O ATOM 343 OE2 GLU A 40 -6.911 -9.474 4.058 1.00 0.00 O ATOM 0 H GLU A 40 -2.468 -9.224 1.024 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.696 -6.511 1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.421 -7.227 2.522 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.534 -8.117 1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.387 -10.066 2.128 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.393 -9.174 3.636 1.00 0.00 H new ATOM 350 N VAL A 41 -2.477 -5.998 3.121 1.00 0.00 N ATOM 351 CA VAL A 41 -1.538 -5.568 4.168 1.00 0.00 C ATOM 352 C VAL A 41 -2.209 -4.518 5.080 1.00 0.00 C ATOM 353 O VAL A 41 -3.092 -3.767 4.642 1.00 0.00 O ATOM 354 CB VAL A 41 -0.211 -5.011 3.497 1.00 0.00 C ATOM 355 CG1 VAL A 41 -0.533 -4.065 2.316 1.00 0.00 C ATOM 356 CG2 VAL A 41 0.735 -4.326 4.523 1.00 0.00 C ATOM 0 H VAL A 41 -3.036 -5.234 2.741 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.265 -6.418 4.794 1.00 0.00 H new ATOM 0 HB VAL A 41 0.325 -5.875 3.104 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.396 -3.701 1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.102 -4.607 1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.120 -3.220 2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.626 -3.964 4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.219 -3.487 4.990 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.024 -5.046 5.289 1.00 0.00 H new ATOM 366 N SER A 42 -1.758 -4.475 6.344 1.00 0.00 N ATOM 367 CA SER A 42 -2.260 -3.532 7.341 1.00 0.00 C ATOM 368 C SER A 42 -1.383 -2.259 7.332 1.00 0.00 C ATOM 369 O SER A 42 -0.212 -2.280 7.737 1.00 0.00 O ATOM 370 CB SER A 42 -2.273 -4.191 8.732 1.00 0.00 C ATOM 371 OG SER A 42 -3.123 -5.325 8.747 1.00 0.00 O ATOM 0 H SER A 42 -1.032 -5.098 6.699 1.00 0.00 H new ATOM 0 HA SER A 42 -3.284 -3.248 7.096 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.261 -4.487 9.008 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.609 -3.470 9.477 1.00 0.00 H new ATOM 0 HG SER A 42 -3.114 -5.728 9.640 1.00 0.00 H new ATOM 377 N LEU A 43 -1.973 -1.176 6.820 1.00 0.00 N ATOM 378 CA LEU A 43 -1.369 0.163 6.784 1.00 0.00 C ATOM 379 C LEU A 43 -2.031 1.042 7.848 1.00 0.00 C ATOM 380 O LEU A 43 -3.254 1.126 7.904 1.00 0.00 O ATOM 381 CB LEU A 43 -1.536 0.789 5.371 1.00 0.00 C ATOM 382 CG LEU A 43 -1.167 2.302 5.221 1.00 0.00 C ATOM 383 CD1 LEU A 43 0.280 2.570 5.655 1.00 0.00 C ATOM 384 CD2 LEU A 43 -1.420 2.811 3.783 1.00 0.00 C ATOM 0 H LEU A 43 -2.906 -1.204 6.409 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.302 0.089 6.996 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.923 0.219 4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.574 0.660 5.063 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.824 2.862 5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.504 3.630 5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.405 2.285 6.700 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.960 1.985 5.036 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.152 3.866 3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.813 2.238 3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.474 2.688 3.534 1.00 0.00 H new ATOM 396 N SER A 44 -1.204 1.730 8.649 1.00 0.00 N ATOM 397 CA SER A 44 -1.682 2.613 9.715 1.00 0.00 C ATOM 398 C SER A 44 -2.183 3.928 9.109 1.00 0.00 C ATOM 399 O SER A 44 -1.677 4.363 8.069 1.00 0.00 O ATOM 400 CB SER A 44 -0.553 2.883 10.731 1.00 0.00 C ATOM 401 OG SER A 44 -0.063 1.669 11.280 1.00 0.00 O ATOM 0 H SER A 44 -0.188 1.688 8.574 1.00 0.00 H new ATOM 0 HA SER A 44 -2.506 2.128 10.239 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.260 3.420 10.243 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.924 3.525 11.530 1.00 0.00 H new ATOM 0 HG SER A 44 0.653 1.865 11.920 1.00 0.00 H new ATOM 407 N ARG A 45 -3.149 4.582 9.785 1.00 0.00 N ATOM 408 CA ARG A 45 -3.707 5.882 9.338 1.00 0.00 C ATOM 409 C ARG A 45 -2.649 7.002 9.442 1.00 0.00 C ATOM 410 O ARG A 45 -2.758 8.049 8.795 1.00 0.00 O ATOM 411 CB ARG A 45 -4.958 6.236 10.180 1.00 0.00 C ATOM 412 CG ARG A 45 -4.659 6.555 11.668 1.00 0.00 C ATOM 413 CD ARG A 45 -5.932 6.699 12.508 1.00 0.00 C ATOM 414 NE ARG A 45 -6.821 7.759 12.010 1.00 0.00 N ATOM 415 CZ ARG A 45 -8.145 7.636 11.844 1.00 0.00 C ATOM 416 NH1 ARG A 45 -8.751 6.462 12.024 1.00 0.00 N ATOM 417 NH2 ARG A 45 -8.849 8.684 11.477 1.00 0.00 N ATOM 0 H ARG A 45 -3.564 4.231 10.648 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.998 5.793 8.291 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.453 7.096 9.729 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.660 5.403 10.133 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.039 5.763 12.088 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.082 7.478 11.729 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.470 5.751 12.512 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.659 6.914 13.541 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.398 8.656 11.773 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.206 5.642 12.292 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.760 6.383 11.894 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.387 9.580 11.321 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.857 8.601 11.348 1.00 0.00 H new ATOM 431 N ASP A 46 -1.610 6.726 10.247 1.00 0.00 N ATOM 432 CA ASP A 46 -0.534 7.658 10.582 1.00 0.00 C ATOM 433 C ASP A 46 0.643 7.471 9.601 1.00 0.00 C ATOM 434 O ASP A 46 1.353 8.428 9.282 1.00 0.00 O ATOM 435 CB ASP A 46 -0.099 7.368 12.044 1.00 0.00 C ATOM 436 CG ASP A 46 1.023 8.282 12.563 1.00 0.00 C ATOM 437 OD1 ASP A 46 0.745 9.450 12.902 1.00 0.00 O ATOM 438 OD2 ASP A 46 2.194 7.839 12.631 1.00 0.00 O ATOM 0 H ASP A 46 -1.497 5.816 10.695 1.00 0.00 H new ATOM 0 HA ASP A 46 -0.870 8.692 10.498 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.966 7.471 12.696 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.231 6.332 12.114 1.00 0.00 H new ATOM 443 N SER A 47 0.817 6.224 9.114 1.00 0.00 N ATOM 444 CA SER A 47 1.917 5.831 8.234 1.00 0.00 C ATOM 445 C SER A 47 1.531 6.066 6.750 1.00 0.00 C ATOM 446 O SER A 47 0.374 5.848 6.371 1.00 0.00 O ATOM 447 CB SER A 47 2.269 4.348 8.488 1.00 0.00 C ATOM 448 OG SER A 47 2.630 4.141 9.845 1.00 0.00 O ATOM 0 H SER A 47 0.182 5.456 9.330 1.00 0.00 H new ATOM 0 HA SER A 47 2.793 6.442 8.450 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.416 3.718 8.234 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.091 4.048 7.838 1.00 0.00 H new ATOM 0 HG SER A 47 2.847 3.196 9.985 1.00 0.00 H new ATOM 454 N PRO A 48 2.493 6.555 5.902 1.00 0.00 N ATOM 455 CA PRO A 48 2.254 6.807 4.467 1.00 0.00 C ATOM 456 C PRO A 48 2.028 5.527 3.653 1.00 0.00 C ATOM 457 O PRO A 48 2.475 4.451 4.037 1.00 0.00 O ATOM 458 CB PRO A 48 3.532 7.547 3.978 1.00 0.00 C ATOM 459 CG PRO A 48 4.336 7.852 5.202 1.00 0.00 C ATOM 460 CD PRO A 48 3.865 6.918 6.296 1.00 0.00 C ATOM 0 HA PRO A 48 1.341 7.386 4.328 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.100 6.926 3.285 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.272 8.462 3.446 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.399 7.711 5.008 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.202 8.892 5.500 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.504 6.038 6.369 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.883 7.406 7.270 1.00 0.00 H new ATOM 468 N LEU A 49 1.365 5.697 2.502 1.00 0.00 N ATOM 469 CA LEU A 49 1.151 4.654 1.489 1.00 0.00 C ATOM 470 C LEU A 49 2.464 3.964 1.084 1.00 0.00 C ATOM 471 O LEU A 49 2.456 2.772 0.799 1.00 0.00 O ATOM 472 CB LEU A 49 0.429 5.274 0.244 1.00 0.00 C ATOM 473 CG LEU A 49 -1.133 5.324 0.291 1.00 0.00 C ATOM 474 CD1 LEU A 49 -1.731 3.919 0.128 1.00 0.00 C ATOM 475 CD2 LEU A 49 -1.650 5.996 1.572 1.00 0.00 C ATOM 0 H LEU A 49 0.950 6.591 2.241 1.00 0.00 H new ATOM 0 HA LEU A 49 0.517 3.881 1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.798 6.291 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.725 4.707 -0.638 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.462 5.937 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.819 3.980 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.423 3.501 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.377 3.277 0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.740 6.009 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.302 5.438 2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.276 7.018 1.623 1.00 0.00 H new ATOM 487 N LYS A 50 3.587 4.714 1.102 1.00 0.00 N ATOM 488 CA LYS A 50 4.911 4.213 0.687 1.00 0.00 C ATOM 489 C LYS A 50 5.371 2.990 1.517 1.00 0.00 C ATOM 490 O LYS A 50 6.029 2.097 0.975 1.00 0.00 O ATOM 491 CB LYS A 50 5.956 5.382 0.721 1.00 0.00 C ATOM 492 CG LYS A 50 6.377 5.921 2.123 1.00 0.00 C ATOM 493 CD LYS A 50 7.607 5.192 2.715 1.00 0.00 C ATOM 494 CE LYS A 50 7.977 5.667 4.125 1.00 0.00 C ATOM 495 NZ LYS A 50 9.129 4.902 4.661 1.00 0.00 N ATOM 0 H LYS A 50 3.598 5.687 1.406 1.00 0.00 H new ATOM 0 HA LYS A 50 4.830 3.853 -0.339 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.855 5.047 0.204 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.550 6.215 0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.598 6.986 2.044 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.537 5.820 2.811 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.407 4.121 2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.461 5.341 2.054 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.221 6.729 4.102 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.119 5.551 4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.358 5.244 5.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.885 3.892 4.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.952 5.033 4.039 1.00 0.00 H new ATOM 509 N THR A 51 5.036 2.968 2.836 1.00 0.00 N ATOM 510 CA THR A 51 5.413 1.853 3.732 1.00 0.00 C ATOM 511 C THR A 51 4.651 0.557 3.336 1.00 0.00 C ATOM 512 O THR A 51 5.180 -0.555 3.452 1.00 0.00 O ATOM 513 CB THR A 51 5.197 2.207 5.255 1.00 0.00 C ATOM 514 OG1 THR A 51 5.959 1.321 6.088 1.00 0.00 O ATOM 515 CG2 THR A 51 3.733 2.127 5.698 1.00 0.00 C ATOM 0 H THR A 51 4.508 3.710 3.296 1.00 0.00 H new ATOM 0 HA THR A 51 6.481 1.678 3.605 1.00 0.00 H new ATOM 0 HB THR A 51 5.530 3.239 5.365 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.816 1.553 7.029 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.658 2.382 6.755 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.137 2.827 5.112 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.361 1.115 5.542 1.00 0.00 H new ATOM 523 N LEU A 52 3.402 0.743 2.856 1.00 0.00 N ATOM 524 CA LEU A 52 2.542 -0.330 2.328 1.00 0.00 C ATOM 525 C LEU A 52 3.062 -0.819 0.958 1.00 0.00 C ATOM 526 O LEU A 52 3.041 -2.021 0.670 1.00 0.00 O ATOM 527 CB LEU A 52 1.061 0.191 2.266 1.00 0.00 C ATOM 528 CG LEU A 52 0.056 -0.539 1.290 1.00 0.00 C ATOM 529 CD1 LEU A 52 -1.375 -0.561 1.870 1.00 0.00 C ATOM 530 CD2 LEU A 52 0.048 0.118 -0.119 1.00 0.00 C ATOM 0 H LEU A 52 2.958 1.661 2.826 1.00 0.00 H new ATOM 0 HA LEU A 52 2.568 -1.196 2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.646 0.138 3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.089 1.245 1.988 1.00 0.00 H new ATOM 0 HG LEU A 52 0.405 -1.566 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.042 -1.070 1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.373 -1.089 2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.722 0.461 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.655 -0.411 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.254 1.162 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.047 0.064 -0.551 1.00 0.00 H new ATOM 542 N MET A 53 3.497 0.148 0.123 1.00 0.00 N ATOM 543 CA MET A 53 4.060 -0.109 -1.222 1.00 0.00 C ATOM 544 C MET A 53 5.290 -1.016 -1.134 1.00 0.00 C ATOM 545 O MET A 53 5.389 -2.015 -1.859 1.00 0.00 O ATOM 546 CB MET A 53 4.432 1.218 -1.938 1.00 0.00 C ATOM 547 CG MET A 53 3.247 2.145 -2.197 1.00 0.00 C ATOM 548 SD MET A 53 3.715 3.633 -3.096 1.00 0.00 S ATOM 549 CE MET A 53 2.162 4.515 -3.143 1.00 0.00 C ATOM 0 H MET A 53 3.468 1.139 0.365 1.00 0.00 H new ATOM 0 HA MET A 53 3.292 -0.614 -1.807 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.169 1.749 -1.335 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.909 0.983 -2.889 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.487 1.607 -2.763 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.796 2.427 -1.245 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.140 5.166 -4.017 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.340 3.802 -3.201 1.00 0.00 H new ATOM 0 HE3 MET A 53 2.057 5.116 -2.240 1.00 0.00 H new ATOM 559 N SER A 54 6.179 -0.674 -0.181 1.00 0.00 N ATOM 560 CA SER A 54 7.430 -1.401 0.067 1.00 0.00 C ATOM 561 C SER A 54 7.144 -2.803 0.638 1.00 0.00 C ATOM 562 O SER A 54 7.915 -3.737 0.414 1.00 0.00 O ATOM 563 CB SER A 54 8.348 -0.584 1.005 1.00 0.00 C ATOM 564 OG SER A 54 7.686 -0.214 2.202 1.00 0.00 O ATOM 0 H SER A 54 6.043 0.123 0.442 1.00 0.00 H new ATOM 0 HA SER A 54 7.951 -1.534 -0.881 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.234 -1.171 1.247 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.690 0.312 0.488 1.00 0.00 H new ATOM 0 HG SER A 54 6.800 -0.631 2.228 1.00 0.00 H new ATOM 570 N HIS A 55 6.005 -2.940 1.344 1.00 0.00 N ATOM 571 CA HIS A 55 5.581 -4.210 1.957 1.00 0.00 C ATOM 572 C HIS A 55 5.134 -5.213 0.863 1.00 0.00 C ATOM 573 O HIS A 55 5.533 -6.383 0.883 1.00 0.00 O ATOM 574 CB HIS A 55 4.436 -3.935 2.975 1.00 0.00 C ATOM 575 CG HIS A 55 4.189 -5.039 3.977 1.00 0.00 C ATOM 576 ND1 HIS A 55 4.257 -4.836 5.341 1.00 0.00 N ATOM 577 CD2 HIS A 55 3.842 -6.340 3.814 1.00 0.00 C ATOM 578 CE1 HIS A 55 3.965 -5.960 5.965 1.00 0.00 C ATOM 579 NE2 HIS A 55 3.709 -6.885 5.062 1.00 0.00 N ATOM 0 H HIS A 55 5.354 -2.172 1.504 1.00 0.00 H new ATOM 0 HA HIS A 55 6.420 -4.657 2.491 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.666 -3.018 3.518 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.514 -3.755 2.421 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.697 -6.851 2.874 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.940 -6.099 7.036 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.453 -7.852 5.261 1.00 0.00 H new ATOM 588 N TYR A 56 4.288 -4.723 -0.065 1.00 0.00 N ATOM 589 CA TYR A 56 3.785 -5.491 -1.226 1.00 0.00 C ATOM 590 C TYR A 56 4.939 -6.093 -2.064 1.00 0.00 C ATOM 591 O TYR A 56 5.006 -7.314 -2.256 1.00 0.00 O ATOM 592 CB TYR A 56 2.891 -4.560 -2.105 1.00 0.00 C ATOM 593 CG TYR A 56 2.452 -5.156 -3.466 1.00 0.00 C ATOM 594 CD1 TYR A 56 1.289 -5.917 -3.585 1.00 0.00 C ATOM 595 CD2 TYR A 56 3.213 -4.959 -4.625 1.00 0.00 C ATOM 596 CE1 TYR A 56 0.900 -6.452 -4.797 1.00 0.00 C ATOM 597 CE2 TYR A 56 2.827 -5.492 -5.831 1.00 0.00 C ATOM 598 CZ TYR A 56 1.676 -6.237 -5.914 1.00 0.00 C ATOM 599 OH TYR A 56 1.286 -6.745 -7.126 1.00 0.00 O ATOM 0 H TYR A 56 3.929 -3.769 -0.030 1.00 0.00 H new ATOM 0 HA TYR A 56 3.193 -6.329 -0.857 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.998 -4.299 -1.537 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.433 -3.633 -2.291 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.680 -6.091 -2.710 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.121 -4.377 -4.570 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.006 -7.035 -4.868 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.428 -5.325 -6.713 1.00 0.00 H new ATOM 0 HH TYR A 56 0.308 -6.794 -7.161 1.00 0.00 H new ATOM 609 N GLU A 57 5.818 -5.201 -2.565 1.00 0.00 N ATOM 610 CA GLU A 57 6.931 -5.577 -3.470 1.00 0.00 C ATOM 611 C GLU A 57 7.901 -6.598 -2.822 1.00 0.00 C ATOM 612 O GLU A 57 8.509 -7.396 -3.525 1.00 0.00 O ATOM 613 CB GLU A 57 7.706 -4.335 -3.993 1.00 0.00 C ATOM 614 CG GLU A 57 8.133 -3.366 -2.891 1.00 0.00 C ATOM 615 CD GLU A 57 9.078 -2.260 -3.348 1.00 0.00 C ATOM 616 OE1 GLU A 57 10.306 -2.468 -3.310 1.00 0.00 O ATOM 617 OE2 GLU A 57 8.605 -1.170 -3.728 1.00 0.00 O ATOM 0 H GLU A 57 5.779 -4.203 -2.357 1.00 0.00 H new ATOM 0 HA GLU A 57 6.468 -6.065 -4.327 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.592 -4.671 -4.532 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.080 -3.803 -4.710 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.241 -2.909 -2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.616 -3.932 -2.095 1.00 0.00 H new ATOM 624 N GLU A 58 8.066 -6.547 -1.489 1.00 0.00 N ATOM 625 CA GLU A 58 8.835 -7.574 -0.751 1.00 0.00 C ATOM 626 C GLU A 58 8.104 -8.934 -0.700 1.00 0.00 C ATOM 627 O GLU A 58 8.747 -9.976 -0.894 1.00 0.00 O ATOM 628 CB GLU A 58 9.186 -7.084 0.678 1.00 0.00 C ATOM 629 CG GLU A 58 10.195 -5.927 0.693 1.00 0.00 C ATOM 630 CD GLU A 58 10.538 -5.440 2.105 1.00 0.00 C ATOM 631 OE1 GLU A 58 11.360 -6.090 2.783 1.00 0.00 O ATOM 632 OE2 GLU A 58 9.971 -4.422 2.555 1.00 0.00 O ATOM 0 H GLU A 58 7.680 -5.810 -0.899 1.00 0.00 H new ATOM 0 HA GLU A 58 9.762 -7.731 -1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.272 -6.766 1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.591 -7.918 1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.110 -6.246 0.194 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.791 -5.094 0.117 1.00 0.00 H new ATOM 639 N ALA A 59 6.772 -8.917 -0.443 1.00 0.00 N ATOM 640 CA ALA A 59 5.944 -10.137 -0.254 1.00 0.00 C ATOM 641 C ALA A 59 6.071 -11.176 -1.399 1.00 0.00 C ATOM 642 O ALA A 59 6.407 -12.341 -1.144 1.00 0.00 O ATOM 643 CB ALA A 59 4.473 -9.733 -0.035 1.00 0.00 C ATOM 0 H ALA A 59 6.238 -8.052 -0.360 1.00 0.00 H new ATOM 0 HA ALA A 59 6.330 -10.643 0.631 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.867 -10.628 0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.397 -9.102 0.851 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.114 -9.182 -0.904 1.00 0.00 H new ATOM 649 N MET A 60 5.831 -10.754 -2.659 1.00 0.00 N ATOM 650 CA MET A 60 5.899 -11.675 -3.842 1.00 0.00 C ATOM 651 C MET A 60 7.162 -11.408 -4.697 1.00 0.00 C ATOM 652 O MET A 60 7.137 -11.583 -5.923 1.00 0.00 O ATOM 653 CB MET A 60 4.615 -11.574 -4.722 1.00 0.00 C ATOM 654 CG MET A 60 3.301 -11.984 -4.041 1.00 0.00 C ATOM 655 SD MET A 60 2.809 -10.863 -2.717 1.00 0.00 S ATOM 656 CE MET A 60 2.806 -9.279 -3.563 1.00 0.00 C ATOM 0 H MET A 60 5.589 -9.792 -2.895 1.00 0.00 H new ATOM 0 HA MET A 60 5.962 -12.690 -3.451 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.516 -10.546 -5.069 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.754 -12.197 -5.606 1.00 0.00 H new ATOM 0 HG2 MET A 60 2.509 -12.024 -4.788 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.408 -12.990 -3.636 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.933 -8.704 -3.256 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.711 -8.728 -3.307 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.772 -9.442 -4.640 1.00 0.00 H new ATOM 666 N GLY A 61 8.261 -11.038 -4.012 1.00 0.00 N ATOM 667 CA GLY A 61 9.573 -10.788 -4.635 1.00 0.00 C ATOM 668 C GLY A 61 9.586 -9.930 -5.904 1.00 0.00 C ATOM 669 O GLY A 61 10.216 -10.298 -6.900 1.00 0.00 O ATOM 0 H GLY A 61 8.262 -10.903 -3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 61 10.214 -10.309 -3.895 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.025 -11.751 -4.872 1.00 0.00 H new ATOM 673 N LEU A 62 8.902 -8.780 -5.873 1.00 0.00 N ATOM 674 CA LEU A 62 8.863 -7.822 -7.007 1.00 0.00 C ATOM 675 C LEU A 62 10.114 -6.898 -7.046 1.00 0.00 C ATOM 676 O LEU A 62 10.069 -5.832 -7.667 1.00 0.00 O ATOM 677 CB LEU A 62 7.568 -6.950 -6.963 1.00 0.00 C ATOM 678 CG LEU A 62 6.182 -7.671 -7.118 1.00 0.00 C ATOM 679 CD1 LEU A 62 6.202 -8.727 -8.242 1.00 0.00 C ATOM 680 CD2 LEU A 62 5.676 -8.245 -5.782 1.00 0.00 C ATOM 0 H LEU A 62 8.357 -8.479 -5.065 1.00 0.00 H new ATOM 0 HA LEU A 62 8.862 -8.423 -7.916 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.560 -6.414 -6.014 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.644 -6.201 -7.752 1.00 0.00 H new ATOM 0 HG LEU A 62 5.461 -6.911 -7.420 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.223 -9.201 -8.314 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.442 -8.245 -9.190 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.955 -9.483 -8.018 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.715 -8.734 -5.937 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.395 -8.970 -5.402 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.559 -7.437 -5.060 1.00 0.00 H new ATOM 692 N SER A 63 11.226 -7.321 -6.410 1.00 0.00 N ATOM 693 CA SER A 63 12.503 -6.583 -6.434 1.00 0.00 C ATOM 694 C SER A 63 13.152 -6.652 -7.842 1.00 0.00 C ATOM 695 O SER A 63 13.366 -7.746 -8.382 1.00 0.00 O ATOM 696 CB SER A 63 13.452 -7.154 -5.349 1.00 0.00 C ATOM 697 OG SER A 63 13.574 -8.569 -5.449 1.00 0.00 O ATOM 0 H SER A 63 11.263 -8.183 -5.866 1.00 0.00 H new ATOM 0 HA SER A 63 12.314 -5.532 -6.214 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.436 -6.696 -5.448 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.076 -6.890 -4.361 1.00 0.00 H new ATOM 0 HG SER A 63 13.569 -8.832 -6.393 1.00 0.00 H new ATOM 703 N GLY A 64 13.429 -5.470 -8.432 1.00 0.00 N ATOM 704 CA GLY A 64 14.007 -5.359 -9.780 1.00 0.00 C ATOM 705 C GLY A 64 13.207 -4.376 -10.626 1.00 0.00 C ATOM 706 O GLY A 64 13.611 -3.223 -10.804 1.00 0.00 O ATOM 0 H GLY A 64 13.257 -4.570 -7.985 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.043 -5.029 -9.711 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.015 -6.338 -10.260 1.00 0.00 H new ATOM 710 N ARG A 65 12.055 -4.836 -11.126 1.00 0.00 N ATOM 711 CA ARG A 65 11.070 -3.986 -11.811 1.00 0.00 C ATOM 712 C ARG A 65 10.120 -3.385 -10.765 1.00 0.00 C ATOM 713 O ARG A 65 9.410 -4.130 -10.079 1.00 0.00 O ATOM 714 CB ARG A 65 10.270 -4.821 -12.851 1.00 0.00 C ATOM 715 CG ARG A 65 11.052 -5.185 -14.136 1.00 0.00 C ATOM 716 CD ARG A 65 11.300 -3.962 -15.034 1.00 0.00 C ATOM 717 NE ARG A 65 12.026 -4.320 -16.269 1.00 0.00 N ATOM 718 CZ ARG A 65 12.082 -3.577 -17.384 1.00 0.00 C ATOM 719 NH1 ARG A 65 11.411 -2.431 -17.482 1.00 0.00 N ATOM 720 NH2 ARG A 65 12.786 -4.014 -18.414 1.00 0.00 N ATOM 0 H ARG A 65 11.776 -5.815 -11.067 1.00 0.00 H new ATOM 0 HA ARG A 65 11.583 -3.184 -12.341 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.934 -5.742 -12.375 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.377 -4.264 -13.133 1.00 0.00 H new ATOM 0 HG2 ARG A 65 12.008 -5.632 -13.863 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.497 -5.937 -14.696 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.346 -3.504 -15.294 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.871 -3.216 -14.481 1.00 0.00 H new ATOM 0 HE ARG A 65 12.528 -5.208 -16.274 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.842 -2.105 -16.701 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.466 -1.879 -18.338 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.278 -4.906 -18.354 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.838 -3.459 -19.269 1.00 0.00 H new ATOM 734 N LYS A 66 10.133 -2.044 -10.618 1.00 0.00 N ATOM 735 CA LYS A 66 9.207 -1.345 -9.711 1.00 0.00 C ATOM 736 C LYS A 66 7.838 -1.190 -10.393 1.00 0.00 C ATOM 737 O LYS A 66 7.753 -1.090 -11.619 1.00 0.00 O ATOM 738 CB LYS A 66 9.757 0.047 -9.282 1.00 0.00 C ATOM 739 CG LYS A 66 9.009 0.673 -8.070 1.00 0.00 C ATOM 740 CD LYS A 66 9.385 0.010 -6.730 1.00 0.00 C ATOM 741 CE LYS A 66 10.846 0.270 -6.317 1.00 0.00 C ATOM 742 NZ LYS A 66 11.176 -0.409 -5.044 1.00 0.00 N ATOM 0 H LYS A 66 10.774 -1.427 -11.116 1.00 0.00 H new ATOM 0 HA LYS A 66 9.101 -1.945 -8.807 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.814 -0.052 -9.033 1.00 0.00 H new ATOM 0 HB3 LYS A 66 9.691 0.730 -10.129 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.235 1.738 -8.020 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.934 0.583 -8.226 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.721 0.381 -5.949 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.220 -1.065 -6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.516 -0.081 -7.102 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.011 1.342 -6.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.053 -0.009 -4.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.400 -0.270 -4.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.307 -1.426 -5.217 1.00 0.00 H new ATOM 756 N LEU A 67 6.780 -1.169 -9.578 1.00 0.00 N ATOM 757 CA LEU A 67 5.387 -1.084 -10.033 1.00 0.00 C ATOM 758 C LEU A 67 4.675 0.072 -9.310 1.00 0.00 C ATOM 759 O LEU A 67 5.029 0.422 -8.176 1.00 0.00 O ATOM 760 CB LEU A 67 4.642 -2.468 -9.870 1.00 0.00 C ATOM 761 CG LEU A 67 4.935 -3.377 -8.609 1.00 0.00 C ATOM 762 CD1 LEU A 67 6.350 -3.986 -8.618 1.00 0.00 C ATOM 763 CD2 LEU A 67 4.672 -2.648 -7.286 1.00 0.00 C ATOM 0 H LEU A 67 6.868 -1.211 -8.563 1.00 0.00 H new ATOM 0 HA LEU A 67 5.369 -0.864 -11.100 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.571 -2.264 -9.881 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.863 -3.062 -10.757 1.00 0.00 H new ATOM 0 HG LEU A 67 4.227 -4.202 -8.684 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.488 -4.598 -7.727 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.474 -4.605 -9.507 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.090 -3.186 -8.627 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.889 -3.317 -6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.313 -1.769 -7.222 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.627 -2.340 -7.242 1.00 0.00 H new ATOM 775 N SER A 68 3.694 0.674 -9.988 1.00 0.00 N ATOM 776 CA SER A 68 2.966 1.849 -9.487 1.00 0.00 C ATOM 777 C SER A 68 1.691 1.423 -8.746 1.00 0.00 C ATOM 778 O SER A 68 1.186 0.319 -8.939 1.00 0.00 O ATOM 779 CB SER A 68 2.636 2.795 -10.658 1.00 0.00 C ATOM 780 OG SER A 68 3.814 3.229 -11.322 1.00 0.00 O ATOM 0 H SER A 68 3.379 0.360 -10.906 1.00 0.00 H new ATOM 0 HA SER A 68 3.598 2.381 -8.776 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.984 2.285 -11.367 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.087 3.660 -10.285 1.00 0.00 H new ATOM 0 HG SER A 68 3.572 3.826 -12.061 1.00 0.00 H new ATOM 786 N PHE A 69 1.193 2.321 -7.886 1.00 0.00 N ATOM 787 CA PHE A 69 0.024 2.087 -7.022 1.00 0.00 C ATOM 788 C PHE A 69 -1.020 3.179 -7.273 1.00 0.00 C ATOM 789 O PHE A 69 -0.696 4.376 -7.259 1.00 0.00 O ATOM 790 CB PHE A 69 0.433 2.058 -5.522 1.00 0.00 C ATOM 791 CG PHE A 69 1.309 0.862 -5.130 1.00 0.00 C ATOM 792 CD1 PHE A 69 2.659 0.815 -5.484 1.00 0.00 C ATOM 793 CD2 PHE A 69 0.784 -0.214 -4.414 1.00 0.00 C ATOM 794 CE1 PHE A 69 3.446 -0.261 -5.140 1.00 0.00 C ATOM 795 CE2 PHE A 69 1.579 -1.293 -4.070 1.00 0.00 C ATOM 796 CZ PHE A 69 2.907 -1.316 -4.433 1.00 0.00 C ATOM 0 H PHE A 69 1.598 3.250 -7.768 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.404 1.115 -7.266 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.968 2.978 -5.285 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.470 2.048 -4.911 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.093 1.636 -6.036 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.256 -0.205 -4.124 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.488 -0.279 -5.424 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.157 -2.118 -3.516 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.526 -2.159 -4.165 1.00 0.00 H new ATOM 806 N PHE A 70 -2.260 2.748 -7.547 1.00 0.00 N ATOM 807 CA PHE A 70 -3.393 3.635 -7.845 1.00 0.00 C ATOM 808 C PHE A 70 -4.578 3.317 -6.911 1.00 0.00 C ATOM 809 O PHE A 70 -4.967 2.171 -6.765 1.00 0.00 O ATOM 810 CB PHE A 70 -3.820 3.477 -9.330 1.00 0.00 C ATOM 811 CG PHE A 70 -2.773 3.932 -10.356 1.00 0.00 C ATOM 812 CD1 PHE A 70 -1.697 3.114 -10.701 1.00 0.00 C ATOM 813 CD2 PHE A 70 -2.880 5.168 -10.990 1.00 0.00 C ATOM 814 CE1 PHE A 70 -0.765 3.522 -11.634 1.00 0.00 C ATOM 815 CE2 PHE A 70 -1.946 5.575 -11.922 1.00 0.00 C ATOM 816 CZ PHE A 70 -0.891 4.749 -12.248 1.00 0.00 C ATOM 0 H PHE A 70 -2.507 1.759 -7.568 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.085 4.667 -7.678 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.057 2.429 -9.515 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.736 4.045 -9.492 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.592 2.147 -10.231 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.707 5.819 -10.748 1.00 0.00 H new ATOM 0 HE1 PHE A 70 0.065 2.878 -11.883 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.042 6.541 -12.396 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.165 5.063 -12.983 1.00 0.00 H new ATOM 826 N PHE A 71 -5.130 4.351 -6.277 1.00 0.00 N ATOM 827 CA PHE A 71 -6.353 4.248 -5.462 1.00 0.00 C ATOM 828 C PHE A 71 -7.495 4.931 -6.225 1.00 0.00 C ATOM 829 O PHE A 71 -7.500 6.153 -6.352 1.00 0.00 O ATOM 830 CB PHE A 71 -6.144 4.881 -4.061 1.00 0.00 C ATOM 831 CG PHE A 71 -7.401 4.910 -3.196 1.00 0.00 C ATOM 832 CD1 PHE A 71 -8.021 3.722 -2.806 1.00 0.00 C ATOM 833 CD2 PHE A 71 -7.971 6.118 -2.793 1.00 0.00 C ATOM 834 CE1 PHE A 71 -9.167 3.742 -2.045 1.00 0.00 C ATOM 835 CE2 PHE A 71 -9.120 6.135 -2.035 1.00 0.00 C ATOM 836 CZ PHE A 71 -9.717 4.949 -1.657 1.00 0.00 C ATOM 0 H PHE A 71 -4.742 5.294 -6.311 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.603 3.200 -5.294 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.367 4.326 -3.536 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.778 5.900 -4.186 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.596 2.775 -3.105 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.506 7.050 -3.079 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -9.637 2.815 -1.751 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -9.555 7.077 -1.736 1.00 0.00 H new ATOM 0 HZ PHE A 71 -10.615 4.964 -1.057 1.00 0.00 H new ATOM 846 N ASP A 72 -8.447 4.118 -6.729 1.00 0.00 N ATOM 847 CA ASP A 72 -9.541 4.560 -7.635 1.00 0.00 C ATOM 848 C ASP A 72 -8.979 5.151 -8.954 1.00 0.00 C ATOM 849 O ASP A 72 -9.632 5.946 -9.634 1.00 0.00 O ATOM 850 CB ASP A 72 -10.488 5.554 -6.890 1.00 0.00 C ATOM 851 CG ASP A 72 -11.835 5.784 -7.600 1.00 0.00 C ATOM 852 OD1 ASP A 72 -12.682 4.863 -7.588 1.00 0.00 O ATOM 853 OD2 ASP A 72 -12.062 6.875 -8.161 1.00 0.00 O ATOM 0 H ASP A 72 -8.482 3.121 -6.518 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.134 3.691 -7.919 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.678 5.176 -5.886 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.979 6.511 -6.779 1.00 0.00 H new ATOM 858 N GLY A 73 -7.776 4.694 -9.340 1.00 0.00 N ATOM 859 CA GLY A 73 -7.072 5.219 -10.516 1.00 0.00 C ATOM 860 C GLY A 73 -6.257 6.480 -10.236 1.00 0.00 C ATOM 861 O GLY A 73 -5.588 6.991 -11.133 1.00 0.00 O ATOM 0 H GLY A 73 -7.270 3.957 -8.849 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.407 4.447 -10.904 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.801 5.435 -11.297 1.00 0.00 H new ATOM 865 N THR A 74 -6.312 6.976 -8.991 1.00 0.00 N ATOM 866 CA THR A 74 -5.540 8.149 -8.556 1.00 0.00 C ATOM 867 C THR A 74 -4.083 7.716 -8.273 1.00 0.00 C ATOM 868 O THR A 74 -3.863 6.807 -7.469 1.00 0.00 O ATOM 869 CB THR A 74 -6.187 8.782 -7.275 1.00 0.00 C ATOM 870 OG1 THR A 74 -7.606 8.945 -7.478 1.00 0.00 O ATOM 871 CG2 THR A 74 -5.564 10.138 -6.909 1.00 0.00 C ATOM 0 H THR A 74 -6.894 6.574 -8.256 1.00 0.00 H new ATOM 0 HA THR A 74 -5.545 8.903 -9.343 1.00 0.00 H new ATOM 0 HB THR A 74 -5.996 8.100 -6.446 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.071 8.124 -7.214 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.048 10.532 -6.015 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.499 10.009 -6.717 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.702 10.837 -7.734 1.00 0.00 H new ATOM 879 N LYS A 75 -3.110 8.346 -8.960 1.00 0.00 N ATOM 880 CA LYS A 75 -1.683 8.006 -8.805 1.00 0.00 C ATOM 881 C LYS A 75 -1.194 8.407 -7.399 1.00 0.00 C ATOM 882 O LYS A 75 -1.226 9.587 -7.036 1.00 0.00 O ATOM 883 CB LYS A 75 -0.801 8.665 -9.902 1.00 0.00 C ATOM 884 CG LYS A 75 0.722 8.398 -9.745 1.00 0.00 C ATOM 885 CD LYS A 75 1.085 6.886 -9.740 1.00 0.00 C ATOM 886 CE LYS A 75 2.543 6.624 -9.321 1.00 0.00 C ATOM 887 NZ LYS A 75 3.515 7.278 -10.225 1.00 0.00 N ATOM 0 H LYS A 75 -3.288 9.095 -9.629 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.585 6.927 -8.924 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.123 8.301 -10.878 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.972 9.741 -9.891 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.256 8.890 -10.558 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.069 8.851 -8.816 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.416 6.359 -9.060 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.918 6.474 -10.735 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.697 6.985 -8.304 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.728 5.550 -9.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.482 7.073 -9.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.388 6.916 -11.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.359 8.306 -10.218 1.00 0.00 H new ATOM 901 N LEU A 76 -0.768 7.405 -6.621 1.00 0.00 N ATOM 902 CA LEU A 76 -0.259 7.596 -5.259 1.00 0.00 C ATOM 903 C LEU A 76 1.272 7.767 -5.325 1.00 0.00 C ATOM 904 O LEU A 76 1.965 6.879 -5.827 1.00 0.00 O ATOM 905 CB LEU A 76 -0.646 6.376 -4.373 1.00 0.00 C ATOM 906 CG LEU A 76 -2.123 5.890 -4.493 1.00 0.00 C ATOM 907 CD1 LEU A 76 -2.402 4.711 -3.536 1.00 0.00 C ATOM 908 CD2 LEU A 76 -3.117 7.058 -4.282 1.00 0.00 C ATOM 0 H LEU A 76 -0.767 6.431 -6.922 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.700 8.487 -4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.012 5.544 -4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.451 6.631 -3.331 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.274 5.522 -5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.439 4.394 -3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.741 3.879 -3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.222 5.026 -2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.138 6.687 -4.372 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.972 7.485 -3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.942 7.825 -5.036 1.00 0.00 H new ATOM 920 N SER A 77 1.784 8.913 -4.851 1.00 0.00 N ATOM 921 CA SER A 77 3.232 9.209 -4.836 1.00 0.00 C ATOM 922 C SER A 77 3.937 8.464 -3.679 1.00 0.00 C ATOM 923 O SER A 77 5.141 8.215 -3.735 1.00 0.00 O ATOM 924 CB SER A 77 3.456 10.738 -4.715 1.00 0.00 C ATOM 925 OG SER A 77 4.834 11.075 -4.726 1.00 0.00 O ATOM 0 H SER A 77 1.209 9.663 -4.467 1.00 0.00 H new ATOM 0 HA SER A 77 3.667 8.860 -5.772 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.952 11.245 -5.538 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.002 11.099 -3.792 1.00 0.00 H new ATOM 0 HG SER A 77 4.934 12.047 -4.649 1.00 0.00 H new ATOM 931 N GLY A 78 3.165 8.100 -2.641 1.00 0.00 N ATOM 932 CA GLY A 78 3.687 7.407 -1.463 1.00 0.00 C ATOM 933 C GLY A 78 3.561 8.220 -0.181 1.00 0.00 C ATOM 934 O GLY A 78 3.234 7.670 0.868 1.00 0.00 O ATOM 0 H GLY A 78 2.162 8.280 -2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.156 6.463 -1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.736 7.163 -1.629 1.00 0.00 H new ATOM 938 N ARG A 79 3.791 9.545 -0.283 1.00 0.00 N ATOM 939 CA ARG A 79 3.892 10.459 0.895 1.00 0.00 C ATOM 940 C ARG A 79 2.528 10.796 1.505 1.00 0.00 C ATOM 941 O ARG A 79 2.466 11.310 2.630 1.00 0.00 O ATOM 942 CB ARG A 79 4.630 11.762 0.503 1.00 0.00 C ATOM 943 CG ARG A 79 6.067 11.550 -0.012 1.00 0.00 C ATOM 944 CD ARG A 79 6.763 12.881 -0.344 1.00 0.00 C ATOM 945 NE ARG A 79 6.841 13.776 0.830 1.00 0.00 N ATOM 946 CZ ARG A 79 6.398 15.040 0.892 1.00 0.00 C ATOM 947 NH1 ARG A 79 5.790 15.601 -0.144 1.00 0.00 N ATOM 948 NH2 ARG A 79 6.557 15.727 2.013 1.00 0.00 N ATOM 0 H ARG A 79 3.913 10.020 -1.178 1.00 0.00 H new ATOM 0 HA ARG A 79 4.462 9.926 1.656 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.053 12.274 -0.267 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.661 12.422 1.370 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.647 11.016 0.741 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.044 10.921 -0.902 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.768 12.681 -0.714 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.222 13.382 -1.146 1.00 0.00 H new ATOM 0 HE ARG A 79 7.273 13.396 1.672 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.653 15.070 -1.004 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.459 16.564 -0.081 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.012 15.294 2.816 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.224 16.689 2.073 1.00 0.00 H new ATOM 962 N GLU A 80 1.452 10.512 0.760 1.00 0.00 N ATOM 963 CA GLU A 80 0.090 10.653 1.256 1.00 0.00 C ATOM 964 C GLU A 80 -0.176 9.540 2.260 1.00 0.00 C ATOM 965 O GLU A 80 0.387 8.447 2.177 1.00 0.00 O ATOM 966 CB GLU A 80 -0.975 10.613 0.110 1.00 0.00 C ATOM 967 CG GLU A 80 -0.808 9.457 -0.912 1.00 0.00 C ATOM 968 CD GLU A 80 -0.055 9.889 -2.177 1.00 0.00 C ATOM 969 OE1 GLU A 80 1.176 10.051 -2.124 1.00 0.00 O ATOM 970 OE2 GLU A 80 -0.696 10.131 -3.213 1.00 0.00 O ATOM 0 H GLU A 80 1.508 10.179 -0.202 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.002 11.631 1.729 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.965 10.538 0.559 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.940 11.560 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.273 8.634 -0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.792 9.079 -1.191 1.00 0.00 H new ATOM 977 N LEU A 81 -1.013 9.860 3.207 1.00 0.00 N ATOM 978 CA LEU A 81 -1.493 8.960 4.235 1.00 0.00 C ATOM 979 C LEU A 81 -2.884 8.466 3.798 1.00 0.00 C ATOM 980 O LEU A 81 -3.542 9.144 2.990 1.00 0.00 O ATOM 981 CB LEU A 81 -1.541 9.784 5.546 1.00 0.00 C ATOM 982 CG LEU A 81 -0.221 10.572 5.883 1.00 0.00 C ATOM 983 CD1 LEU A 81 -0.410 11.597 7.010 1.00 0.00 C ATOM 984 CD2 LEU A 81 0.940 9.622 6.200 1.00 0.00 C ATOM 0 H LEU A 81 -1.402 10.799 3.293 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.860 8.086 4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.365 10.495 5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.766 9.111 6.373 1.00 0.00 H new ATOM 0 HG LEU A 81 0.032 11.132 4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.534 12.109 7.198 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.166 12.325 6.716 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.732 11.085 7.917 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.834 10.203 6.428 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.680 9.004 7.060 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.133 8.983 5.338 1.00 0.00 H new ATOM 996 N PRO A 82 -3.383 7.291 4.292 1.00 0.00 N ATOM 997 CA PRO A 82 -4.738 6.809 3.924 1.00 0.00 C ATOM 998 C PRO A 82 -5.841 7.755 4.465 1.00 0.00 C ATOM 999 O PRO A 82 -6.973 7.731 3.996 1.00 0.00 O ATOM 1000 CB PRO A 82 -4.789 5.392 4.537 1.00 0.00 C ATOM 1001 CG PRO A 82 -3.831 5.450 5.686 1.00 0.00 C ATOM 1002 CD PRO A 82 -2.702 6.351 5.229 1.00 0.00 C ATOM 0 HA PRO A 82 -4.920 6.790 2.849 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.795 5.139 4.871 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.494 4.634 3.811 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.313 5.848 6.579 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.462 4.456 5.939 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.242 6.877 6.065 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.912 5.788 4.733 1.00 0.00 H new ATOM 1010 N ALA A 83 -5.455 8.602 5.435 1.00 0.00 N ATOM 1011 CA ALA A 83 -6.286 9.707 5.932 1.00 0.00 C ATOM 1012 C ALA A 83 -6.515 10.771 4.827 1.00 0.00 C ATOM 1013 O ALA A 83 -7.640 11.258 4.651 1.00 0.00 O ATOM 1014 CB ALA A 83 -5.629 10.338 7.169 1.00 0.00 C ATOM 0 H ALA A 83 -4.549 8.536 5.899 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.261 9.310 6.215 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.250 11.157 7.533 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.527 9.585 7.951 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.644 10.721 6.902 1.00 0.00 H new ATOM 1020 N ASP A 84 -5.440 11.088 4.059 1.00 0.00 N ATOM 1021 CA ASP A 84 -5.473 12.106 2.979 1.00 0.00 C ATOM 1022 C ASP A 84 -6.351 11.641 1.807 1.00 0.00 C ATOM 1023 O ASP A 84 -7.166 12.409 1.292 1.00 0.00 O ATOM 1024 CB ASP A 84 -4.038 12.419 2.446 1.00 0.00 C ATOM 1025 CG ASP A 84 -3.159 13.200 3.437 1.00 0.00 C ATOM 1026 OD1 ASP A 84 -3.469 14.377 3.714 1.00 0.00 O ATOM 1027 OD2 ASP A 84 -2.152 12.659 3.925 1.00 0.00 O ATOM 0 H ASP A 84 -4.528 10.645 4.172 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.897 13.012 3.412 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.542 11.481 2.197 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.122 12.991 1.522 1.00 0.00 H new ATOM 1032 N LEU A 85 -6.165 10.374 1.400 1.00 0.00 N ATOM 1033 CA LEU A 85 -6.872 9.771 0.246 1.00 0.00 C ATOM 1034 C LEU A 85 -8.353 9.447 0.560 1.00 0.00 C ATOM 1035 O LEU A 85 -9.134 9.187 -0.361 1.00 0.00 O ATOM 1036 CB LEU A 85 -6.142 8.486 -0.182 1.00 0.00 C ATOM 1037 CG LEU A 85 -4.654 8.646 -0.605 1.00 0.00 C ATOM 1038 CD1 LEU A 85 -4.018 7.268 -0.838 1.00 0.00 C ATOM 1039 CD2 LEU A 85 -4.493 9.560 -1.851 1.00 0.00 C ATOM 0 H LEU A 85 -5.519 9.733 1.860 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.866 10.503 -0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.188 7.775 0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.689 8.043 -1.015 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.128 9.140 0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.976 7.393 -1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.067 6.685 0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.559 6.746 -1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.437 9.642 -2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.039 9.130 -2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.890 10.551 -1.629 1.00 0.00 H new ATOM 1051 N GLY A 86 -8.717 9.446 1.857 1.00 0.00 N ATOM 1052 CA GLY A 86 -10.091 9.139 2.290 1.00 0.00 C ATOM 1053 C GLY A 86 -10.387 7.644 2.316 1.00 0.00 C ATOM 1054 O GLY A 86 -11.503 7.211 2.012 1.00 0.00 O ATOM 0 H GLY A 86 -8.076 9.655 2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -10.254 9.553 3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.796 9.632 1.620 1.00 0.00 H new ATOM 1058 N MET A 87 -9.370 6.864 2.689 1.00 0.00 N ATOM 1059 CA MET A 87 -9.431 5.391 2.740 1.00 0.00 C ATOM 1060 C MET A 87 -9.898 4.910 4.124 1.00 0.00 C ATOM 1061 O MET A 87 -9.887 5.668 5.095 1.00 0.00 O ATOM 1062 CB MET A 87 -8.035 4.785 2.435 1.00 0.00 C ATOM 1063 CG MET A 87 -7.360 5.324 1.171 1.00 0.00 C ATOM 1064 SD MET A 87 -5.799 4.500 0.808 1.00 0.00 S ATOM 1065 CE MET A 87 -6.375 2.844 0.464 1.00 0.00 C ATOM 0 H MET A 87 -8.464 7.239 2.970 1.00 0.00 H new ATOM 0 HA MET A 87 -10.147 5.059 1.988 1.00 0.00 H new ATOM 0 HB2 MET A 87 -7.380 4.971 3.286 1.00 0.00 H new ATOM 0 HB3 MET A 87 -8.137 3.704 2.342 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.035 5.203 0.324 1.00 0.00 H new ATOM 0 HG3 MET A 87 -7.183 6.393 1.287 1.00 0.00 H new ATOM 0 HE1 MET A 87 -5.541 2.233 0.117 1.00 0.00 H new ATOM 0 HE2 MET A 87 -6.792 2.408 1.372 1.00 0.00 H new ATOM 0 HE3 MET A 87 -7.144 2.879 -0.308 1.00 0.00 H new ATOM 1075 N GLU A 88 -10.257 3.623 4.187 1.00 0.00 N ATOM 1076 CA GLU A 88 -10.701 2.934 5.410 1.00 0.00 C ATOM 1077 C GLU A 88 -10.390 1.422 5.263 1.00 0.00 C ATOM 1078 O GLU A 88 -10.095 0.963 4.157 1.00 0.00 O ATOM 1079 CB GLU A 88 -12.221 3.181 5.628 1.00 0.00 C ATOM 1080 CG GLU A 88 -12.779 2.698 6.979 1.00 0.00 C ATOM 1081 CD GLU A 88 -14.303 2.798 7.053 1.00 0.00 C ATOM 1082 OE1 GLU A 88 -14.986 1.875 6.567 1.00 0.00 O ATOM 1083 OE2 GLU A 88 -14.826 3.811 7.566 1.00 0.00 O ATOM 0 H GLU A 88 -10.248 3.014 3.369 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.173 3.321 6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.416 4.249 5.534 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.771 2.685 4.828 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.478 1.664 7.144 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.340 3.290 7.782 1.00 0.00 H new ATOM 1090 N SER A 89 -10.458 0.658 6.372 1.00 0.00 N ATOM 1091 CA SER A 89 -10.201 -0.795 6.361 1.00 0.00 C ATOM 1092 C SER A 89 -11.228 -1.504 5.449 1.00 0.00 C ATOM 1093 O SER A 89 -12.426 -1.518 5.757 1.00 0.00 O ATOM 1094 CB SER A 89 -10.250 -1.358 7.799 1.00 0.00 C ATOM 1095 OG SER A 89 -9.840 -2.717 7.848 1.00 0.00 O ATOM 0 H SER A 89 -10.691 1.028 7.294 1.00 0.00 H new ATOM 0 HA SER A 89 -9.204 -0.980 5.962 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.607 -0.761 8.445 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.264 -1.270 8.189 1.00 0.00 H new ATOM 0 HG SER A 89 -9.882 -3.038 8.773 1.00 0.00 H new ATOM 1101 N GLY A 90 -10.745 -2.051 4.313 1.00 0.00 N ATOM 1102 CA GLY A 90 -11.601 -2.688 3.307 1.00 0.00 C ATOM 1103 C GLY A 90 -11.322 -2.189 1.890 1.00 0.00 C ATOM 1104 O GLY A 90 -11.571 -2.921 0.924 1.00 0.00 O ATOM 0 H GLY A 90 -9.753 -2.060 4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.454 -3.767 3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -12.646 -2.500 3.554 1.00 0.00 H new ATOM 1108 N ASP A 91 -10.830 -0.929 1.772 1.00 0.00 N ATOM 1109 CA ASP A 91 -10.531 -0.274 0.463 1.00 0.00 C ATOM 1110 C ASP A 91 -9.511 -1.052 -0.405 1.00 0.00 C ATOM 1111 O ASP A 91 -8.854 -2.000 0.056 1.00 0.00 O ATOM 1112 CB ASP A 91 -10.066 1.199 0.672 1.00 0.00 C ATOM 1113 CG ASP A 91 -11.229 2.155 0.997 1.00 0.00 C ATOM 1114 OD1 ASP A 91 -11.729 2.134 2.132 1.00 0.00 O ATOM 1115 OD2 ASP A 91 -11.655 2.922 0.110 1.00 0.00 O ATOM 0 H ASP A 91 -10.628 -0.336 2.577 1.00 0.00 H new ATOM 0 HA ASP A 91 -11.468 -0.279 -0.094 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -9.337 1.233 1.482 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -9.558 1.546 -0.228 1.00 0.00 H new ATOM 1120 N LEU A 92 -9.333 -0.572 -1.656 1.00 0.00 N ATOM 1121 CA LEU A 92 -8.695 -1.336 -2.735 1.00 0.00 C ATOM 1122 C LEU A 92 -7.672 -0.444 -3.456 1.00 0.00 C ATOM 1123 O LEU A 92 -8.026 0.570 -4.064 1.00 0.00 O ATOM 1124 CB LEU A 92 -9.759 -1.847 -3.746 1.00 0.00 C ATOM 1125 CG LEU A 92 -9.234 -2.776 -4.892 1.00 0.00 C ATOM 1126 CD1 LEU A 92 -8.625 -4.081 -4.328 1.00 0.00 C ATOM 1127 CD2 LEU A 92 -10.350 -3.070 -5.923 1.00 0.00 C ATOM 0 H LEU A 92 -9.632 0.361 -1.940 1.00 0.00 H new ATOM 0 HA LEU A 92 -8.188 -2.199 -2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.527 -2.387 -3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.243 -0.982 -4.200 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.436 -2.245 -5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.271 -4.702 -5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.790 -3.838 -3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.385 -4.623 -3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.959 -3.717 -6.708 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.183 -3.566 -5.426 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.695 -2.134 -6.363 1.00 0.00 H new ATOM 1139 N ILE A 93 -6.406 -0.813 -3.326 1.00 0.00 N ATOM 1140 CA ILE A 93 -5.290 -0.196 -4.053 1.00 0.00 C ATOM 1141 C ILE A 93 -4.924 -1.105 -5.233 1.00 0.00 C ATOM 1142 O ILE A 93 -5.055 -2.333 -5.152 1.00 0.00 O ATOM 1143 CB ILE A 93 -4.055 0.014 -3.108 1.00 0.00 C ATOM 1144 CG1 ILE A 93 -4.500 0.729 -1.795 1.00 0.00 C ATOM 1145 CG2 ILE A 93 -2.910 0.803 -3.811 1.00 0.00 C ATOM 1146 CD1 ILE A 93 -3.426 0.841 -0.737 1.00 0.00 C ATOM 0 H ILE A 93 -6.113 -1.564 -2.701 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.587 0.787 -4.420 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.656 -0.969 -2.858 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.850 1.731 -2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.349 0.190 -1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.075 0.925 -3.121 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.576 0.253 -4.691 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.277 1.784 -4.114 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -3.829 1.352 0.138 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.090 -0.156 -0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.583 1.408 -1.132 1.00 0.00 H new ATOM 1158 N GLU A 94 -4.442 -0.501 -6.313 1.00 0.00 N ATOM 1159 CA GLU A 94 -4.177 -1.173 -7.582 1.00 0.00 C ATOM 1160 C GLU A 94 -2.676 -1.168 -7.801 1.00 0.00 C ATOM 1161 O GLU A 94 -1.964 -0.339 -7.223 1.00 0.00 O ATOM 1162 CB GLU A 94 -4.899 -0.429 -8.736 1.00 0.00 C ATOM 1163 CG GLU A 94 -6.411 -0.250 -8.505 1.00 0.00 C ATOM 1164 CD GLU A 94 -7.083 0.616 -9.573 1.00 0.00 C ATOM 1165 OE1 GLU A 94 -6.936 1.858 -9.518 1.00 0.00 O ATOM 1166 OE2 GLU A 94 -7.752 0.066 -10.476 1.00 0.00 O ATOM 0 H GLU A 94 -4.219 0.494 -6.332 1.00 0.00 H new ATOM 0 HA GLU A 94 -4.549 -2.197 -7.561 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.442 0.552 -8.867 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.745 -0.979 -9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.888 -1.230 -8.487 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.572 0.201 -7.526 1.00 0.00 H new ATOM 1173 N VAL A 95 -2.199 -2.087 -8.636 1.00 0.00 N ATOM 1174 CA VAL A 95 -0.776 -2.240 -8.938 1.00 0.00 C ATOM 1175 C VAL A 95 -0.609 -2.415 -10.459 1.00 0.00 C ATOM 1176 O VAL A 95 -1.162 -3.346 -11.055 1.00 0.00 O ATOM 1177 CB VAL A 95 -0.137 -3.441 -8.146 1.00 0.00 C ATOM 1178 CG1 VAL A 95 1.294 -3.754 -8.636 1.00 0.00 C ATOM 1179 CG2 VAL A 95 -0.161 -3.185 -6.614 1.00 0.00 C ATOM 0 H VAL A 95 -2.794 -2.754 -9.128 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.244 -1.345 -8.616 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.749 -4.320 -8.347 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.700 -4.589 -8.064 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.267 -4.017 -9.693 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.926 -2.877 -8.496 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.287 -4.033 -6.096 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.404 -2.281 -6.387 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.192 -3.061 -6.282 1.00 0.00 H new ATOM 1189 N TRP A 96 0.121 -1.465 -11.061 1.00 0.00 N ATOM 1190 CA TRP A 96 0.404 -1.398 -12.498 1.00 0.00 C ATOM 1191 C TRP A 96 1.898 -1.675 -12.728 1.00 0.00 C ATOM 1192 O TRP A 96 2.747 -0.831 -12.416 1.00 0.00 O ATOM 1193 CB TRP A 96 0.018 0.008 -13.037 1.00 0.00 C ATOM 1194 CG TRP A 96 -1.472 0.250 -13.179 1.00 0.00 C ATOM 1195 CD1 TRP A 96 -2.442 0.103 -12.220 1.00 0.00 C ATOM 1196 CD2 TRP A 96 -2.151 0.705 -14.357 1.00 0.00 C ATOM 1197 NE1 TRP A 96 -3.669 0.441 -12.732 1.00 0.00 N ATOM 1198 CE2 TRP A 96 -3.517 0.808 -14.045 1.00 0.00 C ATOM 1199 CE3 TRP A 96 -1.730 1.028 -15.650 1.00 0.00 C ATOM 1200 CZ2 TRP A 96 -4.464 1.228 -14.976 1.00 0.00 C ATOM 1201 CZ3 TRP A 96 -2.668 1.445 -16.573 1.00 0.00 C ATOM 1202 CH2 TRP A 96 -4.024 1.539 -16.233 1.00 0.00 C ATOM 0 H TRP A 96 0.544 -0.697 -10.541 1.00 0.00 H new ATOM 0 HA TRP A 96 -0.182 -2.147 -13.032 1.00 0.00 H new ATOM 0 HB2 TRP A 96 0.432 0.763 -12.369 1.00 0.00 H new ATOM 0 HB3 TRP A 96 0.489 0.150 -14.010 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -2.265 -0.231 -11.208 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -4.551 0.422 -12.220 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.688 0.953 -15.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -5.509 1.305 -14.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -2.352 1.703 -17.573 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -4.735 1.863 -16.978 1.00 0.00 H new ATOM 1213 N GLY A 97 2.203 -2.871 -13.242 1.00 0.00 N ATOM 1214 CA GLY A 97 3.578 -3.280 -13.534 1.00 0.00 C ATOM 1215 C GLY A 97 3.618 -4.541 -14.397 1.00 0.00 C ATOM 1216 O GLY A 97 2.689 -5.377 -14.281 1.00 0.00 O ATOM 1217 OXT GLY A 97 4.567 -4.707 -15.193 1.00 0.00 O ATOM 0 H GLY A 97 1.505 -3.580 -13.466 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.098 -2.471 -14.047 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.111 -3.460 -12.600 1.00 0.00 H new TER 1221 GLY A 97