USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 649 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 105 ASN : amide:sc= -4.94! C(o=-11!,f=-23!) USER MOD Set 1.2: A 109 MET CE :methyl -125:sc= -6.38! (180deg=-9.61!) USER MOD Set 2.1: A 54 HIS : no HD1:sc= -1.25 K(o=-0.95,f=-4.4!) USER MOD Set 2.2: A 58 SER OG : rot -100:sc= 1.26 USER MOD Set 2.3: A 59 SER OG : rot 180:sc= -0.958 USER MOD Set 2.4: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 53 GLN : amide:sc= -0.332 X(o=-2.7,f=-2.7) USER MOD Set 3.2: A 127 MET CE :methyl -149:sc= -2.33 (180deg=-3.54!) USER MOD Set 4.1: A 32 THR OG1 : rot 180:sc= -0.391 USER MOD Set 4.2: A 33 SER OG : rot 180:sc= 0.0725 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.0086) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HE2:sc= 0.111 F(o=-0.53,f=0.11) USER MOD Single : A 42 GLN : amide:sc= -0.359 K(o=-0.36,f=-2.5!) USER MOD Single : A 46 SER OG : rot 170:sc= 0.161 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 63 GLN : amide:sc= -0.329 K(o=-0.33,f=-2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.403 X(o=-0.4,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.0426 X(o=-0.043,f=-0.5) USER MOD Single : A 71 ASN : amide:sc= 0.198 X(o=0.2,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 63:sc= 0.305 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 79 THR OG1 : rot -85:sc= -0.767 USER MOD Single : A 82 MET CE :methyl -156:sc= -1.41 (180deg=-2.28!) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.374 K(o=-0.37,f=-3.3!) USER MOD Single : A 87 HIS : no HE2:sc= -3.19 K(o=-3.2,f=-5.1) USER MOD Single : A 103 HIS :FLIP no HE2:sc= -3.68! C(o=-4.3!,f=-3.7!) USER MOD Single : A 111 SER OG : rot 73:sc= 0.992 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 100:sc= 0.666 USER MOD Single : A 119 MET CE :methyl -153:sc= -0.639 (180deg=-1.37) USER MOD Single : A 124 GLN :FLIP amide:sc= 0.318 F(o=-1,f=0.32) USER MOD Single : A 125 HIS : no HE2:sc= -0.286 K(o=-0.29,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 32 -14.640 10.673 -7.058 1.00 0.00 N ATOM 44 CA THR A 32 -15.842 10.514 -6.245 1.00 0.00 C ATOM 45 C THR A 32 -15.519 9.849 -4.911 1.00 0.00 C ATOM 46 O THR A 32 -14.418 9.336 -4.711 1.00 0.00 O ATOM 47 CB THR A 32 -16.885 9.685 -6.996 1.00 0.00 C ATOM 48 OG1 THR A 32 -18.014 9.439 -6.177 1.00 0.00 O ATOM 49 CG2 THR A 32 -16.360 8.346 -7.468 1.00 0.00 C ATOM 0 HA THR A 32 -16.246 11.507 -6.047 1.00 0.00 H new ATOM 0 HB THR A 32 -17.152 10.280 -7.869 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.671 8.909 -6.675 1.00 0.00 H new ATOM 0 HG21 THR A 32 -17.151 7.810 -7.993 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.518 8.503 -8.143 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.033 7.760 -6.609 1.00 0.00 H new ATOM 57 N SER A 33 -16.489 9.861 -4.002 1.00 0.00 N ATOM 58 CA SER A 33 -16.313 9.258 -2.686 1.00 0.00 C ATOM 59 C SER A 33 -16.087 7.755 -2.805 1.00 0.00 C ATOM 60 O SER A 33 -15.290 7.176 -2.066 1.00 0.00 O ATOM 61 CB SER A 33 -17.534 9.537 -1.806 1.00 0.00 C ATOM 62 OG SER A 33 -18.684 9.787 -2.595 1.00 0.00 O ATOM 0 H SER A 33 -17.406 10.282 -4.153 1.00 0.00 H new ATOM 0 HA SER A 33 -15.433 9.704 -2.222 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.717 8.685 -1.151 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.335 10.396 -1.164 1.00 0.00 H new ATOM 0 HG SER A 33 -19.451 9.961 -2.010 1.00 0.00 H new ATOM 68 N SER A 34 -16.791 7.129 -3.742 1.00 0.00 N ATOM 69 CA SER A 34 -16.664 5.693 -3.961 1.00 0.00 C ATOM 70 C SER A 34 -15.270 5.350 -4.473 1.00 0.00 C ATOM 71 O SER A 34 -14.679 4.348 -4.072 1.00 0.00 O ATOM 72 CB SER A 34 -17.720 5.209 -4.956 1.00 0.00 C ATOM 73 OG SER A 34 -19.016 5.638 -4.573 1.00 0.00 O ATOM 0 H SER A 34 -17.455 7.593 -4.362 1.00 0.00 H new ATOM 0 HA SER A 34 -16.820 5.188 -3.008 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.487 5.588 -5.951 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.696 4.121 -5.016 1.00 0.00 H new ATOM 0 HG SER A 34 -19.673 5.317 -5.226 1.00 0.00 H new ATOM 79 N GLN A 35 -14.748 6.193 -5.357 1.00 0.00 N ATOM 80 CA GLN A 35 -13.421 5.982 -5.918 1.00 0.00 C ATOM 81 C GLN A 35 -12.353 6.167 -4.849 1.00 0.00 C ATOM 82 O GLN A 35 -11.363 5.437 -4.812 1.00 0.00 O ATOM 83 CB GLN A 35 -13.176 6.944 -7.079 1.00 0.00 C ATOM 84 CG GLN A 35 -11.789 6.824 -7.691 1.00 0.00 C ATOM 85 CD GLN A 35 -11.828 6.664 -9.199 1.00 0.00 C ATOM 86 OE1 GLN A 35 -11.172 5.785 -9.759 1.00 0.00 O ATOM 87 NE2 GLN A 35 -12.600 7.515 -9.864 1.00 0.00 N ATOM 0 H GLN A 35 -15.224 7.028 -5.700 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.365 4.960 -6.292 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.922 6.763 -7.853 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.322 7.966 -6.729 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.207 7.710 -7.438 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.275 5.969 -7.252 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.126 8.228 -9.359 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.667 7.456 -10.880 1.00 0.00 H new ATOM 96 N LEU A 36 -12.566 7.142 -3.969 1.00 0.00 N ATOM 97 CA LEU A 36 -11.626 7.411 -2.888 1.00 0.00 C ATOM 98 C LEU A 36 -11.351 6.134 -2.104 1.00 0.00 C ATOM 99 O LEU A 36 -10.199 5.754 -1.887 1.00 0.00 O ATOM 100 CB LEU A 36 -12.185 8.488 -1.953 1.00 0.00 C ATOM 101 CG LEU A 36 -11.664 9.903 -2.206 1.00 0.00 C ATOM 102 CD1 LEU A 36 -10.144 9.921 -2.213 1.00 0.00 C ATOM 103 CD2 LEU A 36 -12.212 10.447 -3.516 1.00 0.00 C ATOM 0 H LEU A 36 -13.380 7.757 -3.984 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.692 7.771 -3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -13.271 8.496 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.952 8.211 -0.925 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.009 10.546 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.793 10.937 -2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.772 9.575 -1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.776 9.264 -3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.831 11.455 -3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.898 9.803 -4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.301 10.474 -3.472 1.00 0.00 H new ATOM 115 N LEU A 37 -12.425 5.469 -1.692 1.00 0.00 N ATOM 116 CA LEU A 37 -12.310 4.229 -0.944 1.00 0.00 C ATOM 117 C LEU A 37 -12.055 3.047 -1.880 1.00 0.00 C ATOM 118 O LEU A 37 -11.646 1.974 -1.440 1.00 0.00 O ATOM 119 CB LEU A 37 -13.572 3.987 -0.110 1.00 0.00 C ATOM 120 CG LEU A 37 -14.805 3.553 -0.903 1.00 0.00 C ATOM 121 CD1 LEU A 37 -14.807 2.045 -1.104 1.00 0.00 C ATOM 122 CD2 LEU A 37 -16.076 4.003 -0.198 1.00 0.00 C ATOM 0 H LEU A 37 -13.384 5.771 -1.865 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.458 4.319 -0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.353 3.224 0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.812 4.903 0.431 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.770 4.028 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.692 1.755 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.912 1.750 -1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.818 1.549 -0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.944 3.686 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -16.119 3.557 0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -16.077 5.089 -0.108 1.00 0.00 H new ATOM 134 N SER A 38 -12.293 3.247 -3.177 1.00 0.00 N ATOM 135 CA SER A 38 -12.077 2.188 -4.155 1.00 0.00 C ATOM 136 C SER A 38 -10.586 1.929 -4.349 1.00 0.00 C ATOM 137 O SER A 38 -10.178 0.820 -4.694 1.00 0.00 O ATOM 138 CB SER A 38 -12.719 2.557 -5.494 1.00 0.00 C ATOM 139 OG SER A 38 -12.609 1.492 -6.422 1.00 0.00 O ATOM 0 H SER A 38 -12.632 4.125 -3.569 1.00 0.00 H new ATOM 0 HA SER A 38 -12.544 1.278 -3.777 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.770 2.804 -5.342 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.238 3.447 -5.899 1.00 0.00 H new ATOM 0 HG SER A 38 -13.028 1.752 -7.269 1.00 0.00 H new ATOM 145 N VAL A 39 -9.774 2.958 -4.121 1.00 0.00 N ATOM 146 CA VAL A 39 -8.331 2.835 -4.270 1.00 0.00 C ATOM 147 C VAL A 39 -7.694 2.356 -2.975 1.00 0.00 C ATOM 148 O VAL A 39 -6.754 1.562 -2.990 1.00 0.00 O ATOM 149 CB VAL A 39 -7.686 4.168 -4.688 1.00 0.00 C ATOM 150 CG1 VAL A 39 -6.236 3.953 -5.091 1.00 0.00 C ATOM 151 CG2 VAL A 39 -8.473 4.809 -5.822 1.00 0.00 C ATOM 0 H VAL A 39 -10.092 3.883 -3.833 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.154 2.102 -5.057 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.706 4.846 -3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.795 4.906 -5.384 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.682 3.540 -4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.191 3.259 -5.930 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.002 5.751 -6.105 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.486 4.138 -6.681 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.495 4.998 -5.494 1.00 0.00 H new ATOM 161 N ARG A 40 -8.215 2.835 -1.851 1.00 0.00 N ATOM 162 CA ARG A 40 -7.694 2.438 -0.551 1.00 0.00 C ATOM 163 C ARG A 40 -8.036 0.980 -0.267 1.00 0.00 C ATOM 164 O ARG A 40 -7.307 0.285 0.440 1.00 0.00 O ATOM 165 CB ARG A 40 -8.248 3.345 0.550 1.00 0.00 C ATOM 166 CG ARG A 40 -9.726 3.129 0.842 1.00 0.00 C ATOM 167 CD ARG A 40 -9.954 2.048 1.890 1.00 0.00 C ATOM 168 NE ARG A 40 -9.040 2.172 3.023 1.00 0.00 N ATOM 169 CZ ARG A 40 -8.759 1.178 3.863 1.00 0.00 C ATOM 170 NH1 ARG A 40 -9.321 -0.014 3.704 1.00 0.00 N ATOM 171 NH2 ARG A 40 -7.916 1.378 4.867 1.00 0.00 N ATOM 0 H ARG A 40 -8.992 3.494 -1.815 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.609 2.543 -0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.679 3.179 1.465 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.093 4.385 0.263 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.167 4.065 1.186 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.240 2.854 -0.079 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.982 2.103 2.248 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.829 1.068 1.431 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.590 3.074 3.180 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.972 -0.172 2.935 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.102 -0.772 4.351 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.483 2.293 4.995 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.700 0.617 5.511 1.00 0.00 H new ATOM 185 N HIS A 41 -9.148 0.522 -0.835 1.00 0.00 N ATOM 186 CA HIS A 41 -9.588 -0.855 -0.658 1.00 0.00 C ATOM 187 C HIS A 41 -8.742 -1.795 -1.510 1.00 0.00 C ATOM 188 O HIS A 41 -8.435 -2.915 -1.101 1.00 0.00 O ATOM 189 CB HIS A 41 -11.065 -0.993 -1.035 1.00 0.00 C ATOM 190 CG HIS A 41 -11.999 -0.876 0.130 1.00 0.00 C ATOM 191 ND1 HIS A 41 -12.507 0.213 0.757 1.00 0.00 N flip ATOM 192 CD2 HIS A 41 -12.525 -1.971 0.785 1.00 0.00 C flip ATOM 193 CE1 HIS A 41 -13.320 -0.241 1.765 1.00 0.00 C flip ATOM 194 NE2 HIS A 41 -13.315 -1.560 1.761 1.00 0.00 N flip ATOM 0 H HIS A 41 -9.761 1.087 -1.423 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.466 -1.125 0.391 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.316 -0.227 -1.769 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.219 -1.959 -1.517 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -12.320 1.188 0.523 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.322 -3.003 0.538 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -13.875 0.382 2.451 1.00 0.00 H new ATOM 203 N GLN A 42 -8.368 -1.330 -2.700 1.00 0.00 N ATOM 204 CA GLN A 42 -7.557 -2.127 -3.613 1.00 0.00 C ATOM 205 C GLN A 42 -6.075 -2.041 -3.246 1.00 0.00 C ATOM 206 O GLN A 42 -5.316 -2.986 -3.462 1.00 0.00 O ATOM 207 CB GLN A 42 -7.777 -1.665 -5.060 1.00 0.00 C ATOM 208 CG GLN A 42 -6.913 -0.482 -5.477 1.00 0.00 C ATOM 209 CD GLN A 42 -5.663 -0.906 -6.222 1.00 0.00 C ATOM 210 OE1 GLN A 42 -5.420 -2.096 -6.423 1.00 0.00 O ATOM 211 NE2 GLN A 42 -4.862 0.069 -6.637 1.00 0.00 N ATOM 0 H GLN A 42 -8.614 -0.405 -3.053 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.868 -3.168 -3.525 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.577 -2.501 -5.731 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.826 -1.397 -5.188 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.499 0.186 -6.109 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.628 0.085 -4.591 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.103 1.042 -6.448 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.006 -0.155 -7.144 1.00 0.00 H new ATOM 220 N LEU A 43 -5.672 -0.900 -2.696 1.00 0.00 N ATOM 221 CA LEU A 43 -4.282 -0.686 -2.305 1.00 0.00 C ATOM 222 C LEU A 43 -3.973 -1.380 -0.982 1.00 0.00 C ATOM 223 O LEU A 43 -3.068 -2.211 -0.902 1.00 0.00 O ATOM 224 CB LEU A 43 -3.988 0.815 -2.195 1.00 0.00 C ATOM 225 CG LEU A 43 -2.505 1.208 -2.197 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.925 1.109 -0.796 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.710 0.342 -3.167 1.00 0.00 C ATOM 0 H LEU A 43 -6.288 -0.109 -2.511 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.642 -1.119 -3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.480 1.324 -3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.442 1.188 -1.277 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.431 2.243 -2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.872 1.391 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.467 1.780 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.019 0.085 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.662 0.642 -3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.793 -0.704 -2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.105 0.468 -4.175 1.00 0.00 H new ATOM 239 N ALA A 44 -4.729 -1.034 0.056 1.00 0.00 N ATOM 240 CA ALA A 44 -4.535 -1.623 1.377 1.00 0.00 C ATOM 241 C ALA A 44 -4.589 -3.146 1.316 1.00 0.00 C ATOM 242 O ALA A 44 -3.819 -3.831 1.989 1.00 0.00 O ATOM 243 CB ALA A 44 -5.582 -1.096 2.347 1.00 0.00 C ATOM 0 H ALA A 44 -5.482 -0.348 0.008 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.545 -1.336 1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.426 -1.543 3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.494 -0.012 2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.577 -1.355 1.984 1.00 0.00 H new ATOM 249 N GLU A 45 -5.503 -3.669 0.505 1.00 0.00 N ATOM 250 CA GLU A 45 -5.657 -5.111 0.356 1.00 0.00 C ATOM 251 C GLU A 45 -4.362 -5.749 -0.137 1.00 0.00 C ATOM 252 O GLU A 45 -3.884 -6.730 0.433 1.00 0.00 O ATOM 253 CB GLU A 45 -6.798 -5.426 -0.614 1.00 0.00 C ATOM 254 CG GLU A 45 -8.129 -5.677 0.075 1.00 0.00 C ATOM 255 CD GLU A 45 -9.020 -6.623 -0.707 1.00 0.00 C ATOM 256 OE1 GLU A 45 -8.533 -7.701 -1.108 1.00 0.00 O ATOM 257 OE2 GLU A 45 -10.203 -6.285 -0.918 1.00 0.00 O ATOM 0 H GLU A 45 -6.148 -3.115 -0.059 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.896 -5.529 1.334 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.910 -4.596 -1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.532 -6.304 -1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.948 -6.090 1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.647 -4.728 0.215 1.00 0.00 H new ATOM 264 N SER A 46 -3.799 -5.185 -1.201 1.00 0.00 N ATOM 265 CA SER A 46 -2.559 -5.698 -1.772 1.00 0.00 C ATOM 266 C SER A 46 -1.373 -5.399 -0.859 1.00 0.00 C ATOM 267 O SER A 46 -0.385 -6.134 -0.848 1.00 0.00 O ATOM 268 CB SER A 46 -2.320 -5.089 -3.155 1.00 0.00 C ATOM 269 OG SER A 46 -2.826 -5.930 -4.176 1.00 0.00 O ATOM 0 H SER A 46 -4.182 -4.373 -1.685 1.00 0.00 H new ATOM 0 HA SER A 46 -2.654 -6.779 -1.870 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.799 -4.112 -3.213 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.252 -4.930 -3.306 1.00 0.00 H new ATOM 0 HG SER A 46 -2.809 -5.453 -5.032 1.00 0.00 H new ATOM 275 N ALA A 47 -1.476 -4.315 -0.096 1.00 0.00 N ATOM 276 CA ALA A 47 -0.410 -3.920 0.818 1.00 0.00 C ATOM 277 C ALA A 47 -0.257 -4.929 1.953 1.00 0.00 C ATOM 278 O ALA A 47 -0.670 -4.673 3.084 1.00 0.00 O ATOM 279 CB ALA A 47 -0.682 -2.531 1.377 1.00 0.00 C ATOM 0 H ALA A 47 -2.286 -3.695 -0.093 1.00 0.00 H new ATOM 0 HA ALA A 47 0.525 -3.898 0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.121 -2.249 2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.733 -1.813 0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.629 -2.535 1.916 1.00 0.00 H new ATOM 285 N GLY A 48 0.341 -6.075 1.643 1.00 0.00 N ATOM 286 CA GLY A 48 0.538 -7.103 2.648 1.00 0.00 C ATOM 287 C GLY A 48 0.846 -8.458 2.041 1.00 0.00 C ATOM 288 O GLY A 48 0.119 -8.935 1.169 1.00 0.00 O ATOM 0 H GLY A 48 0.692 -6.310 0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.355 -6.810 3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.358 -7.180 3.265 1.00 0.00 H new ATOM 292 N LEU A 49 1.927 -9.079 2.502 1.00 0.00 N ATOM 293 CA LEU A 49 2.329 -10.388 1.999 1.00 0.00 C ATOM 294 C LEU A 49 1.377 -11.476 2.492 1.00 0.00 C ATOM 295 O LEU A 49 0.853 -11.395 3.603 1.00 0.00 O ATOM 296 CB LEU A 49 3.761 -10.707 2.434 1.00 0.00 C ATOM 297 CG LEU A 49 4.829 -9.750 1.900 1.00 0.00 C ATOM 298 CD1 LEU A 49 6.216 -10.209 2.320 1.00 0.00 C ATOM 299 CD2 LEU A 49 4.738 -9.643 0.385 1.00 0.00 C ATOM 0 H LEU A 49 2.540 -8.697 3.222 1.00 0.00 H new ATOM 0 HA LEU A 49 2.287 -10.361 0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.803 -10.703 3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.006 -11.718 2.110 1.00 0.00 H new ATOM 0 HG LEU A 49 4.651 -8.763 2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.962 -9.516 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.277 -10.234 3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.405 -11.206 1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.505 -8.958 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.890 -10.627 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.754 -9.267 0.105 1.00 0.00 H new ATOM 311 N PRO A 50 1.136 -12.511 1.668 1.00 0.00 N ATOM 312 CA PRO A 50 0.238 -13.615 2.026 1.00 0.00 C ATOM 313 C PRO A 50 0.692 -14.354 3.285 1.00 0.00 C ATOM 314 O PRO A 50 0.163 -14.123 4.372 1.00 0.00 O ATOM 315 CB PRO A 50 0.285 -14.541 0.803 1.00 0.00 C ATOM 316 CG PRO A 50 1.519 -14.150 0.061 1.00 0.00 C ATOM 317 CD PRO A 50 1.714 -12.685 0.326 1.00 0.00 C ATOM 0 HA PRO A 50 -0.765 -13.258 2.258 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.322 -15.588 1.104 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.603 -14.419 0.182 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.379 -14.726 0.403 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.410 -14.342 -1.006 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.768 -12.407 0.301 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.205 -12.070 -0.416 1.00 0.00 H new ATOM 325 N ARG A 51 1.671 -15.244 3.135 1.00 0.00 N ATOM 326 CA ARG A 51 2.183 -16.011 4.266 1.00 0.00 C ATOM 327 C ARG A 51 3.668 -16.319 4.090 1.00 0.00 C ATOM 328 O ARG A 51 4.516 -15.735 4.764 1.00 0.00 O ATOM 329 CB ARG A 51 1.393 -17.312 4.425 1.00 0.00 C ATOM 330 CG ARG A 51 0.887 -17.547 5.839 1.00 0.00 C ATOM 331 CD ARG A 51 0.555 -19.011 6.074 1.00 0.00 C ATOM 332 NE ARG A 51 0.703 -19.388 7.478 1.00 0.00 N ATOM 333 CZ ARG A 51 0.405 -20.594 7.957 1.00 0.00 C ATOM 334 NH1 ARG A 51 -0.058 -21.541 7.150 1.00 0.00 N ATOM 335 NH2 ARG A 51 0.570 -20.853 9.247 1.00 0.00 N ATOM 0 H ARG A 51 2.123 -15.451 2.244 1.00 0.00 H new ATOM 0 HA ARG A 51 2.062 -15.409 5.166 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.544 -17.298 3.742 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.025 -18.150 4.130 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.642 -17.224 6.555 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.000 -16.939 6.015 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.468 -19.207 5.752 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.207 -19.633 5.461 1.00 0.00 H new ATOM 0 HE ARG A 51 1.055 -18.686 8.129 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.187 -21.347 6.157 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.284 -22.463 7.523 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.925 -20.129 9.871 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.342 -21.777 9.615 1.00 0.00 H new ATOM 349 N ASP A 52 3.974 -17.240 3.181 1.00 0.00 N ATOM 350 CA ASP A 52 5.356 -17.625 2.918 1.00 0.00 C ATOM 351 C ASP A 52 6.184 -16.419 2.487 1.00 0.00 C ATOM 352 O ASP A 52 7.385 -16.351 2.749 1.00 0.00 O ATOM 353 CB ASP A 52 5.409 -18.707 1.837 1.00 0.00 C ATOM 354 CG ASP A 52 4.806 -20.017 2.302 1.00 0.00 C ATOM 355 OD1 ASP A 52 3.692 -19.991 2.866 1.00 0.00 O ATOM 356 OD2 ASP A 52 5.447 -21.070 2.101 1.00 0.00 O ATOM 0 H ASP A 52 3.284 -17.733 2.615 1.00 0.00 H new ATOM 0 HA ASP A 52 5.778 -18.022 3.841 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.877 -18.359 0.952 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.445 -18.872 1.542 1.00 0.00 H new ATOM 361 N GLN A 53 5.532 -15.468 1.826 1.00 0.00 N ATOM 362 CA GLN A 53 6.205 -14.263 1.359 1.00 0.00 C ATOM 363 C GLN A 53 6.766 -13.463 2.532 1.00 0.00 C ATOM 364 O GLN A 53 7.782 -12.781 2.402 1.00 0.00 O ATOM 365 CB GLN A 53 5.237 -13.399 0.547 1.00 0.00 C ATOM 366 CG GLN A 53 5.416 -13.534 -0.956 1.00 0.00 C ATOM 367 CD GLN A 53 4.373 -14.435 -1.588 1.00 0.00 C ATOM 368 OE1 GLN A 53 3.533 -13.980 -2.364 1.00 0.00 O ATOM 369 NE2 GLN A 53 4.422 -15.720 -1.258 1.00 0.00 N ATOM 0 H GLN A 53 4.538 -15.509 1.602 1.00 0.00 H new ATOM 0 HA GLN A 53 7.036 -14.562 0.720 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.214 -13.670 0.809 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.372 -12.355 0.828 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.364 -12.547 -1.415 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.409 -13.931 -1.166 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.136 -16.053 -0.610 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.746 -16.374 -1.652 1.00 0.00 H new ATOM 378 N HIS A 54 6.096 -13.552 3.678 1.00 0.00 N ATOM 379 CA HIS A 54 6.528 -12.837 4.873 1.00 0.00 C ATOM 380 C HIS A 54 7.571 -13.641 5.644 1.00 0.00 C ATOM 381 O HIS A 54 8.515 -13.080 6.201 1.00 0.00 O ATOM 382 CB HIS A 54 5.331 -12.537 5.777 1.00 0.00 C ATOM 383 CG HIS A 54 5.690 -11.751 7.000 1.00 0.00 C ATOM 384 ND1 HIS A 54 6.534 -12.229 7.981 1.00 0.00 N ATOM 385 CD2 HIS A 54 5.320 -10.510 7.397 1.00 0.00 C ATOM 386 CE1 HIS A 54 6.668 -11.317 8.927 1.00 0.00 C ATOM 387 NE2 HIS A 54 5.942 -10.265 8.597 1.00 0.00 N ATOM 0 H HIS A 54 5.253 -14.112 3.803 1.00 0.00 H new ATOM 0 HA HIS A 54 6.980 -11.897 4.556 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.584 -11.986 5.206 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.870 -13.477 6.081 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.659 -9.839 6.869 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.269 -11.415 9.819 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.857 -9.409 9.145 1.00 0.00 H new ATOM 396 N GLU A 55 7.390 -14.957 5.677 1.00 0.00 N ATOM 397 CA GLU A 55 8.311 -15.841 6.384 1.00 0.00 C ATOM 398 C GLU A 55 9.727 -15.740 5.819 1.00 0.00 C ATOM 399 O GLU A 55 10.691 -16.140 6.470 1.00 0.00 O ATOM 400 CB GLU A 55 7.822 -17.288 6.302 1.00 0.00 C ATOM 401 CG GLU A 55 6.807 -17.649 7.374 1.00 0.00 C ATOM 402 CD GLU A 55 6.794 -19.132 7.689 1.00 0.00 C ATOM 403 OE1 GLU A 55 6.596 -19.936 6.754 1.00 0.00 O ATOM 404 OE2 GLU A 55 6.982 -19.489 8.871 1.00 0.00 O ATOM 0 H GLU A 55 6.613 -15.436 5.222 1.00 0.00 H new ATOM 0 HA GLU A 55 8.339 -15.526 7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.378 -17.458 5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.678 -17.957 6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.030 -17.090 8.283 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.814 -17.342 7.047 1.00 0.00 H new ATOM 411 N PHE A 56 9.849 -15.213 4.604 1.00 0.00 N ATOM 412 CA PHE A 56 11.151 -15.073 3.963 1.00 0.00 C ATOM 413 C PHE A 56 11.735 -13.681 4.202 1.00 0.00 C ATOM 414 O PHE A 56 12.848 -13.545 4.704 1.00 0.00 O ATOM 415 CB PHE A 56 11.026 -15.355 2.457 1.00 0.00 C ATOM 416 CG PHE A 56 11.974 -14.562 1.594 1.00 0.00 C ATOM 417 CD1 PHE A 56 13.345 -14.653 1.780 1.00 0.00 C ATOM 418 CD2 PHE A 56 11.490 -13.725 0.602 1.00 0.00 C ATOM 419 CE1 PHE A 56 14.214 -13.924 0.991 1.00 0.00 C ATOM 420 CE2 PHE A 56 12.355 -12.994 -0.190 1.00 0.00 C ATOM 421 CZ PHE A 56 13.719 -13.093 0.005 1.00 0.00 C ATOM 0 H PHE A 56 9.064 -14.877 4.046 1.00 0.00 H new ATOM 0 HA PHE A 56 11.833 -15.800 4.405 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.198 -16.417 2.283 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.004 -15.142 2.143 1.00 0.00 H new ATOM 0 HD1 PHE A 56 13.738 -15.301 2.550 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.425 -13.643 0.446 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.280 -14.004 1.145 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.965 -12.346 -0.961 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.397 -12.522 -0.612 1.00 0.00 H new ATOM 431 N VAL A 57 10.982 -12.654 3.827 1.00 0.00 N ATOM 432 CA VAL A 57 11.429 -11.273 3.983 1.00 0.00 C ATOM 433 C VAL A 57 11.620 -10.879 5.450 1.00 0.00 C ATOM 434 O VAL A 57 12.161 -9.812 5.739 1.00 0.00 O ATOM 435 CB VAL A 57 10.435 -10.295 3.328 1.00 0.00 C ATOM 436 CG1 VAL A 57 9.069 -10.404 3.985 1.00 0.00 C ATOM 437 CG2 VAL A 57 10.956 -8.865 3.395 1.00 0.00 C ATOM 0 H VAL A 57 10.056 -12.751 3.411 1.00 0.00 H new ATOM 0 HA VAL A 57 12.396 -11.210 3.484 1.00 0.00 H new ATOM 0 HB VAL A 57 10.332 -10.566 2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.380 -9.706 3.510 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.691 -11.420 3.873 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.155 -10.164 5.045 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.237 -8.193 2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.096 -8.577 4.437 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.909 -8.800 2.870 1.00 0.00 H new ATOM 447 N SER A 58 11.168 -11.722 6.375 1.00 0.00 N ATOM 448 CA SER A 58 11.295 -11.416 7.798 1.00 0.00 C ATOM 449 C SER A 58 12.103 -12.476 8.544 1.00 0.00 C ATOM 450 O SER A 58 12.912 -12.150 9.413 1.00 0.00 O ATOM 451 CB SER A 58 9.910 -11.282 8.432 1.00 0.00 C ATOM 452 OG SER A 58 9.274 -12.544 8.540 1.00 0.00 O ATOM 0 H SER A 58 10.715 -12.613 6.169 1.00 0.00 H new ATOM 0 HA SER A 58 11.832 -10.471 7.880 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.001 -10.831 9.420 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.295 -10.612 7.832 1.00 0.00 H new ATOM 0 HG SER A 58 8.635 -12.652 7.805 1.00 0.00 H new ATOM 458 N SER A 59 11.869 -13.743 8.221 1.00 0.00 N ATOM 459 CA SER A 59 12.568 -14.839 8.886 1.00 0.00 C ATOM 460 C SER A 59 13.844 -15.245 8.148 1.00 0.00 C ATOM 461 O SER A 59 14.637 -16.032 8.664 1.00 0.00 O ATOM 462 CB SER A 59 11.642 -16.050 9.022 1.00 0.00 C ATOM 463 OG SER A 59 10.283 -15.673 8.878 1.00 0.00 O ATOM 0 H SER A 59 11.204 -14.037 7.506 1.00 0.00 H new ATOM 0 HA SER A 59 12.858 -14.483 9.874 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.898 -16.794 8.267 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.791 -16.518 9.995 1.00 0.00 H new ATOM 0 HG SER A 59 9.713 -16.465 8.968 1.00 0.00 H new ATOM 469 N GLN A 60 14.041 -14.720 6.941 1.00 0.00 N ATOM 470 CA GLN A 60 15.226 -15.058 6.158 1.00 0.00 C ATOM 471 C GLN A 60 15.973 -13.808 5.698 1.00 0.00 C ATOM 472 O GLN A 60 17.123 -13.587 6.079 1.00 0.00 O ATOM 473 CB GLN A 60 14.832 -15.903 4.946 1.00 0.00 C ATOM 474 CG GLN A 60 14.437 -17.327 5.300 1.00 0.00 C ATOM 475 CD GLN A 60 15.602 -18.294 5.214 1.00 0.00 C ATOM 476 OE1 GLN A 60 16.761 -17.901 5.347 1.00 0.00 O ATOM 477 NE2 GLN A 60 15.298 -19.567 4.990 1.00 0.00 N ATOM 0 H GLN A 60 13.403 -14.066 6.488 1.00 0.00 H new ATOM 0 HA GLN A 60 15.894 -15.631 6.800 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.000 -15.421 4.432 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.667 -15.930 4.245 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.028 -17.346 6.310 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.645 -17.658 4.629 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.323 -19.848 4.886 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.040 -20.264 4.922 1.00 0.00 H new ATOM 486 N ALA A 61 15.316 -13.002 4.869 1.00 0.00 N ATOM 487 CA ALA A 61 15.914 -11.777 4.340 1.00 0.00 C ATOM 488 C ALA A 61 16.662 -10.996 5.421 1.00 0.00 C ATOM 489 O ALA A 61 16.304 -11.047 6.597 1.00 0.00 O ATOM 490 CB ALA A 61 14.843 -10.903 3.706 1.00 0.00 C ATOM 0 H ALA A 61 14.364 -13.175 4.547 1.00 0.00 H new ATOM 0 HA ALA A 61 16.641 -12.066 3.581 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.300 -9.994 3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.364 -11.447 2.892 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.096 -10.641 4.456 1.00 0.00 H new ATOM 496 N PRO A 62 17.717 -10.259 5.028 1.00 0.00 N ATOM 497 CA PRO A 62 18.520 -9.463 5.963 1.00 0.00 C ATOM 498 C PRO A 62 17.773 -8.232 6.465 1.00 0.00 C ATOM 499 O PRO A 62 16.806 -7.786 5.849 1.00 0.00 O ATOM 500 CB PRO A 62 19.730 -9.049 5.125 1.00 0.00 C ATOM 501 CG PRO A 62 19.232 -9.044 3.721 1.00 0.00 C ATOM 502 CD PRO A 62 18.209 -10.144 3.641 1.00 0.00 C ATOM 0 HA PRO A 62 18.778 -10.025 6.861 1.00 0.00 H new ATOM 0 HB2 PRO A 62 20.098 -8.066 5.419 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.557 -9.749 5.250 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.790 -8.081 3.467 1.00 0.00 H new ATOM 0 HG3 PRO A 62 20.046 -9.216 3.017 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.405 -9.894 2.949 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.650 -11.078 3.293 1.00 0.00 H new ATOM 510 N GLN A 63 18.230 -7.686 7.590 1.00 0.00 N ATOM 511 CA GLN A 63 17.606 -6.504 8.179 1.00 0.00 C ATOM 512 C GLN A 63 17.413 -5.406 7.135 1.00 0.00 C ATOM 513 O GLN A 63 16.476 -4.612 7.221 1.00 0.00 O ATOM 514 CB GLN A 63 18.457 -5.977 9.336 1.00 0.00 C ATOM 515 CG GLN A 63 17.829 -4.800 10.067 1.00 0.00 C ATOM 516 CD GLN A 63 17.509 -5.115 11.515 1.00 0.00 C ATOM 517 OE1 GLN A 63 17.453 -6.279 11.912 1.00 0.00 O ATOM 518 NE2 GLN A 63 17.295 -4.075 12.313 1.00 0.00 N ATOM 0 H GLN A 63 19.030 -8.044 8.112 1.00 0.00 H new ATOM 0 HA GLN A 63 16.626 -6.795 8.557 1.00 0.00 H new ATOM 0 HB2 GLN A 63 18.629 -6.785 10.047 1.00 0.00 H new ATOM 0 HB3 GLN A 63 19.432 -5.677 8.952 1.00 0.00 H new ATOM 0 HG2 GLN A 63 18.508 -3.948 10.026 1.00 0.00 H new ATOM 0 HG3 GLN A 63 16.914 -4.504 9.553 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.352 -3.127 11.941 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.074 -4.225 13.297 1.00 0.00 H new ATOM 527 N SER A 64 18.303 -5.370 6.148 1.00 0.00 N ATOM 528 CA SER A 64 18.227 -4.373 5.087 1.00 0.00 C ATOM 529 C SER A 64 16.932 -4.523 4.296 1.00 0.00 C ATOM 530 O SER A 64 16.234 -3.543 4.035 1.00 0.00 O ATOM 531 CB SER A 64 19.430 -4.501 4.150 1.00 0.00 C ATOM 532 OG SER A 64 20.638 -4.193 4.825 1.00 0.00 O ATOM 0 H SER A 64 19.085 -6.020 6.061 1.00 0.00 H new ATOM 0 HA SER A 64 18.240 -3.385 5.547 1.00 0.00 H new ATOM 0 HB2 SER A 64 19.480 -5.515 3.754 1.00 0.00 H new ATOM 0 HB3 SER A 64 19.305 -3.832 3.299 1.00 0.00 H new ATOM 0 HG SER A 64 21.392 -4.284 4.205 1.00 0.00 H new ATOM 538 N LEU A 65 16.615 -5.758 3.920 1.00 0.00 N ATOM 539 CA LEU A 65 15.401 -6.039 3.161 1.00 0.00 C ATOM 540 C LEU A 65 14.160 -5.737 3.996 1.00 0.00 C ATOM 541 O LEU A 65 13.117 -5.359 3.463 1.00 0.00 O ATOM 542 CB LEU A 65 15.383 -7.502 2.711 1.00 0.00 C ATOM 543 CG LEU A 65 14.634 -7.771 1.404 1.00 0.00 C ATOM 544 CD1 LEU A 65 13.184 -7.327 1.519 1.00 0.00 C ATOM 545 CD2 LEU A 65 15.322 -7.069 0.241 1.00 0.00 C ATOM 0 H LEU A 65 17.182 -6.580 4.128 1.00 0.00 H new ATOM 0 HA LEU A 65 15.393 -5.396 2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.412 -7.844 2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.932 -8.103 3.500 1.00 0.00 H new ATOM 0 HG LEU A 65 14.648 -8.844 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.667 -7.526 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.698 -7.877 2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.146 -6.259 1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.776 -7.271 -0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.340 -5.995 0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.343 -7.438 0.146 1.00 0.00 H new ATOM 557 N ARG A 66 14.283 -5.906 5.309 1.00 0.00 N ATOM 558 CA ARG A 66 13.173 -5.650 6.220 1.00 0.00 C ATOM 559 C ARG A 66 12.926 -4.153 6.368 1.00 0.00 C ATOM 560 O ARG A 66 11.790 -3.715 6.547 1.00 0.00 O ATOM 561 CB ARG A 66 13.457 -6.271 7.589 1.00 0.00 C ATOM 562 CG ARG A 66 13.811 -7.748 7.526 1.00 0.00 C ATOM 563 CD ARG A 66 14.261 -8.271 8.880 1.00 0.00 C ATOM 564 NE ARG A 66 14.946 -9.557 8.770 1.00 0.00 N ATOM 565 CZ ARG A 66 15.718 -10.069 9.726 1.00 0.00 C ATOM 566 NH1 ARG A 66 15.906 -9.408 10.862 1.00 0.00 N ATOM 567 NH2 ARG A 66 16.303 -11.245 9.546 1.00 0.00 N ATOM 0 H ARG A 66 15.140 -6.219 5.766 1.00 0.00 H new ATOM 0 HA ARG A 66 12.277 -6.107 5.800 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.277 -5.729 8.061 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.581 -6.143 8.225 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.946 -8.316 7.184 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.603 -7.902 6.793 1.00 0.00 H new ATOM 0 HD2 ARG A 66 14.926 -7.545 9.346 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.395 -8.376 9.534 1.00 0.00 H new ATOM 0 HE ARG A 66 14.826 -10.093 7.911 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.458 -8.503 11.006 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.499 -9.805 11.591 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.161 -11.757 8.675 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.895 -11.638 10.278 1.00 0.00 H new ATOM 581 N ASN A 67 13.998 -3.371 6.292 1.00 0.00 N ATOM 582 CA ASN A 67 13.897 -1.921 6.417 1.00 0.00 C ATOM 583 C ASN A 67 12.996 -1.344 5.330 1.00 0.00 C ATOM 584 O ASN A 67 12.102 -0.547 5.610 1.00 0.00 O ATOM 585 CB ASN A 67 15.285 -1.283 6.337 1.00 0.00 C ATOM 586 CG ASN A 67 15.958 -1.191 7.692 1.00 0.00 C ATOM 587 OD1 ASN A 67 15.516 -0.449 8.569 1.00 0.00 O ATOM 588 ND2 ASN A 67 17.035 -1.947 7.869 1.00 0.00 N ATOM 0 H ASN A 67 14.946 -3.717 6.145 1.00 0.00 H new ATOM 0 HA ASN A 67 13.457 -1.694 7.388 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.912 -1.866 5.662 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.199 -0.284 5.909 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.531 -1.927 8.760 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.366 -2.548 7.114 1.00 0.00 H new ATOM 595 N ARG A 68 13.239 -1.754 4.089 1.00 0.00 N ATOM 596 CA ARG A 68 12.449 -1.279 2.958 1.00 0.00 C ATOM 597 C ARG A 68 11.008 -1.769 3.055 1.00 0.00 C ATOM 598 O ARG A 68 10.085 -1.114 2.569 1.00 0.00 O ATOM 599 CB ARG A 68 13.072 -1.748 1.642 1.00 0.00 C ATOM 600 CG ARG A 68 13.199 -3.259 1.533 1.00 0.00 C ATOM 601 CD ARG A 68 13.715 -3.681 0.166 1.00 0.00 C ATOM 602 NE ARG A 68 12.769 -4.547 -0.533 1.00 0.00 N ATOM 603 CZ ARG A 68 12.802 -4.774 -1.844 1.00 0.00 C ATOM 604 NH1 ARG A 68 13.730 -4.202 -2.601 1.00 0.00 N ATOM 605 NH2 ARG A 68 11.904 -5.576 -2.401 1.00 0.00 N ATOM 0 H ARG A 68 13.976 -2.414 3.841 1.00 0.00 H new ATOM 0 HA ARG A 68 12.445 -0.189 2.983 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.467 -1.382 0.813 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.060 -1.300 1.538 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.875 -3.624 2.306 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.228 -3.720 1.714 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.909 -2.794 -0.438 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.665 -4.202 0.282 1.00 0.00 H new ATOM 0 HE ARG A 68 12.041 -5.004 0.016 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.423 -3.584 -2.179 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.750 -4.380 -3.605 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.188 -6.019 -1.825 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.929 -5.750 -3.406 1.00 0.00 H new ATOM 619 N TYR A 69 10.821 -2.925 3.684 1.00 0.00 N ATOM 620 CA TYR A 69 9.491 -3.504 3.845 1.00 0.00 C ATOM 621 C TYR A 69 8.560 -2.537 4.570 1.00 0.00 C ATOM 622 O TYR A 69 7.550 -2.100 4.018 1.00 0.00 O ATOM 623 CB TYR A 69 9.580 -4.822 4.617 1.00 0.00 C ATOM 624 CG TYR A 69 8.245 -5.506 4.810 1.00 0.00 C ATOM 625 CD1 TYR A 69 7.303 -4.997 5.695 1.00 0.00 C ATOM 626 CD2 TYR A 69 7.929 -6.663 4.109 1.00 0.00 C ATOM 627 CE1 TYR A 69 6.084 -5.621 5.876 1.00 0.00 C ATOM 628 CE2 TYR A 69 6.712 -7.292 4.284 1.00 0.00 C ATOM 629 CZ TYR A 69 5.793 -6.768 5.168 1.00 0.00 C ATOM 630 OH TYR A 69 4.580 -7.393 5.344 1.00 0.00 O ATOM 0 H TYR A 69 11.574 -3.480 4.091 1.00 0.00 H new ATOM 0 HA TYR A 69 9.081 -3.697 2.853 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.251 -5.498 4.088 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.025 -4.631 5.594 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.527 -4.099 6.251 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.646 -7.077 3.416 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.363 -5.213 6.568 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.481 -8.190 3.731 1.00 0.00 H new ATOM 0 HH TYR A 69 4.534 -8.186 4.770 1.00 0.00 H new ATOM 640 N ASN A 70 8.905 -2.210 5.811 1.00 0.00 N ATOM 641 CA ASN A 70 8.101 -1.296 6.613 1.00 0.00 C ATOM 642 C ASN A 70 8.156 0.122 6.051 1.00 0.00 C ATOM 643 O ASN A 70 7.242 0.919 6.261 1.00 0.00 O ATOM 644 CB ASN A 70 8.583 -1.302 8.066 1.00 0.00 C ATOM 645 CG ASN A 70 7.436 -1.339 9.056 1.00 0.00 C ATOM 646 OD1 ASN A 70 6.336 -0.867 8.767 1.00 0.00 O ATOM 647 ND2 ASN A 70 7.687 -1.901 10.232 1.00 0.00 N ATOM 0 H ASN A 70 9.737 -2.565 6.283 1.00 0.00 H new ATOM 0 HA ASN A 70 7.067 -1.638 6.578 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.227 -2.166 8.228 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.188 -0.414 8.249 1.00 0.00 H new ATOM 0 HD21 ASN A 70 6.953 -1.954 10.939 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.613 -2.280 10.429 1.00 0.00 H new ATOM 654 N ASN A 71 9.234 0.432 5.336 1.00 0.00 N ATOM 655 CA ASN A 71 9.405 1.755 4.747 1.00 0.00 C ATOM 656 C ASN A 71 8.307 2.046 3.728 1.00 0.00 C ATOM 657 O ASN A 71 7.527 2.984 3.894 1.00 0.00 O ATOM 658 CB ASN A 71 10.780 1.864 4.082 1.00 0.00 C ATOM 659 CG ASN A 71 11.670 2.889 4.757 1.00 0.00 C ATOM 660 OD1 ASN A 71 11.774 4.030 4.307 1.00 0.00 O ATOM 661 ND2 ASN A 71 12.317 2.486 5.844 1.00 0.00 N ATOM 0 H ASN A 71 10.001 -0.215 5.151 1.00 0.00 H new ATOM 0 HA ASN A 71 9.335 2.493 5.546 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.270 0.890 4.105 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.653 2.132 3.033 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.930 3.132 6.341 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.201 1.531 6.182 1.00 0.00 H new ATOM 668 N LEU A 72 8.254 1.239 2.673 1.00 0.00 N ATOM 669 CA LEU A 72 7.252 1.416 1.627 1.00 0.00 C ATOM 670 C LEU A 72 5.841 1.321 2.198 1.00 0.00 C ATOM 671 O LEU A 72 4.919 1.973 1.707 1.00 0.00 O ATOM 672 CB LEU A 72 7.441 0.372 0.524 1.00 0.00 C ATOM 673 CG LEU A 72 7.202 -1.078 0.950 1.00 0.00 C ATOM 674 CD1 LEU A 72 5.715 -1.403 0.931 1.00 0.00 C ATOM 675 CD2 LEU A 72 7.970 -2.030 0.045 1.00 0.00 C ATOM 0 H LEU A 72 8.891 0.458 2.520 1.00 0.00 H new ATOM 0 HA LEU A 72 7.384 2.411 1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.765 0.608 -0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.456 0.457 0.136 1.00 0.00 H new ATOM 0 HG LEU A 72 7.566 -1.203 1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.565 -2.438 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.189 -0.741 1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.325 -1.262 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.790 -3.057 0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.635 -1.903 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.036 -1.813 0.109 1.00 0.00 H new ATOM 687 N TYR A 73 5.677 0.508 3.236 1.00 0.00 N ATOM 688 CA TYR A 73 4.374 0.337 3.866 1.00 0.00 C ATOM 689 C TYR A 73 4.059 1.505 4.793 1.00 0.00 C ATOM 690 O TYR A 73 2.899 1.883 4.958 1.00 0.00 O ATOM 691 CB TYR A 73 4.321 -0.979 4.645 1.00 0.00 C ATOM 692 CG TYR A 73 2.915 -1.424 4.983 1.00 0.00 C ATOM 693 CD1 TYR A 73 1.883 -1.295 4.060 1.00 0.00 C ATOM 694 CD2 TYR A 73 2.618 -1.972 6.224 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.598 -1.699 4.364 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.335 -2.379 6.536 1.00 0.00 C ATOM 697 CZ TYR A 73 0.329 -2.241 5.603 1.00 0.00 C ATOM 698 OH TYR A 73 -0.951 -2.644 5.911 1.00 0.00 O ATOM 0 H TYR A 73 6.427 -0.041 3.657 1.00 0.00 H new ATOM 0 HA TYR A 73 3.622 0.310 3.077 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.809 -1.758 4.060 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.891 -0.869 5.568 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.090 -0.871 3.088 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.403 -2.082 6.958 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.192 -1.591 3.635 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.121 -2.803 7.506 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.970 -3.004 6.822 1.00 0.00 H new ATOM 708 N SER A 74 5.099 2.079 5.392 1.00 0.00 N ATOM 709 CA SER A 74 4.927 3.211 6.297 1.00 0.00 C ATOM 710 C SER A 74 4.169 4.338 5.604 1.00 0.00 C ATOM 711 O SER A 74 3.291 4.967 6.195 1.00 0.00 O ATOM 712 CB SER A 74 6.287 3.717 6.783 1.00 0.00 C ATOM 713 OG SER A 74 6.135 4.747 7.744 1.00 0.00 O ATOM 0 H SER A 74 6.066 1.780 5.268 1.00 0.00 H new ATOM 0 HA SER A 74 4.348 2.877 7.158 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.852 2.892 7.216 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.864 4.088 5.936 1.00 0.00 H new ATOM 0 HG SER A 74 7.018 5.052 8.039 1.00 0.00 H new ATOM 719 N HIS A 75 4.511 4.577 4.343 1.00 0.00 N ATOM 720 CA HIS A 75 3.861 5.618 3.558 1.00 0.00 C ATOM 721 C HIS A 75 2.530 5.122 3.000 1.00 0.00 C ATOM 722 O HIS A 75 1.644 5.914 2.687 1.00 0.00 O ATOM 723 CB HIS A 75 4.772 6.069 2.415 1.00 0.00 C ATOM 724 CG HIS A 75 6.117 6.542 2.872 1.00 0.00 C ATOM 725 ND1 HIS A 75 6.286 7.561 3.786 1.00 0.00 N ATOM 726 CD2 HIS A 75 7.364 6.131 2.536 1.00 0.00 C ATOM 727 CE1 HIS A 75 7.576 7.756 3.993 1.00 0.00 C ATOM 728 NE2 HIS A 75 8.251 6.901 3.247 1.00 0.00 N ATOM 0 H HIS A 75 5.236 4.063 3.842 1.00 0.00 H new ATOM 0 HA HIS A 75 3.668 6.468 4.213 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.905 5.241 1.719 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.281 6.872 1.865 1.00 0.00 H new ATOM 0 HD2 HIS A 75 7.613 5.345 1.839 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.005 8.490 4.659 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.267 6.825 3.206 1.00 0.00 H new ATOM 737 N THR A 76 2.397 3.803 2.878 1.00 0.00 N ATOM 738 CA THR A 76 1.173 3.204 2.358 1.00 0.00 C ATOM 739 C THR A 76 0.078 3.189 3.421 1.00 0.00 C ATOM 740 O THR A 76 -1.088 3.453 3.129 1.00 0.00 O ATOM 741 CB THR A 76 1.447 1.779 1.872 1.00 0.00 C ATOM 742 OG1 THR A 76 2.441 1.776 0.863 1.00 0.00 O ATOM 743 CG2 THR A 76 0.220 1.092 1.311 1.00 0.00 C ATOM 0 H THR A 76 3.121 3.131 3.132 1.00 0.00 H new ATOM 0 HA THR A 76 0.830 3.809 1.519 1.00 0.00 H new ATOM 0 HB THR A 76 1.779 1.231 2.754 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.286 2.105 1.235 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.484 0.086 0.985 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.549 1.034 2.082 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.159 1.661 0.462 1.00 0.00 H new ATOM 751 N GLN A 77 0.460 2.873 4.654 1.00 0.00 N ATOM 752 CA GLN A 77 -0.491 2.817 5.760 1.00 0.00 C ATOM 753 C GLN A 77 -1.000 4.209 6.123 1.00 0.00 C ATOM 754 O GLN A 77 -2.143 4.368 6.550 1.00 0.00 O ATOM 755 CB GLN A 77 0.154 2.162 6.983 1.00 0.00 C ATOM 756 CG GLN A 77 1.420 2.860 7.453 1.00 0.00 C ATOM 757 CD GLN A 77 1.496 2.976 8.963 1.00 0.00 C ATOM 758 OE1 GLN A 77 1.158 2.039 9.687 1.00 0.00 O ATOM 759 NE2 GLN A 77 1.941 4.129 9.447 1.00 0.00 N ATOM 0 H GLN A 77 1.421 2.652 4.913 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.342 2.216 5.438 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.568 2.148 7.800 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.388 1.124 6.747 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.289 2.311 7.090 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.466 3.856 7.013 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.210 4.879 8.811 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.014 4.265 10.455 1.00 0.00 H new ATOM 768 N ARG A 78 -0.147 5.214 5.953 1.00 0.00 N ATOM 769 CA ARG A 78 -0.519 6.589 6.267 1.00 0.00 C ATOM 770 C ARG A 78 -1.289 7.229 5.114 1.00 0.00 C ATOM 771 O ARG A 78 -2.076 8.153 5.320 1.00 0.00 O ATOM 772 CB ARG A 78 0.726 7.419 6.589 1.00 0.00 C ATOM 773 CG ARG A 78 1.761 7.423 5.476 1.00 0.00 C ATOM 774 CD ARG A 78 1.805 8.761 4.755 1.00 0.00 C ATOM 775 NE ARG A 78 2.985 9.541 5.120 1.00 0.00 N ATOM 776 CZ ARG A 78 3.472 10.539 4.385 1.00 0.00 C ATOM 777 NH1 ARG A 78 2.881 10.883 3.247 1.00 0.00 N ATOM 778 NH2 ARG A 78 4.551 11.195 4.789 1.00 0.00 N ATOM 0 H ARG A 78 0.804 5.103 5.601 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.169 6.567 7.142 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.424 8.446 6.796 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.185 7.032 7.499 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.744 7.201 5.892 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.531 6.632 4.762 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.801 8.593 3.678 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.906 9.330 4.992 1.00 0.00 H new ATOM 0 HE ARG A 78 3.464 9.307 5.989 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.050 10.382 2.932 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.258 11.648 2.688 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.008 10.935 5.663 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.924 11.959 4.226 1.00 0.00 H new ATOM 792 N THR A 79 -1.061 6.733 3.902 1.00 0.00 N ATOM 793 CA THR A 79 -1.738 7.261 2.722 1.00 0.00 C ATOM 794 C THR A 79 -3.168 6.741 2.636 1.00 0.00 C ATOM 795 O THR A 79 -4.095 7.491 2.331 1.00 0.00 O ATOM 796 CB THR A 79 -0.972 6.883 1.455 1.00 0.00 C ATOM 797 OG1 THR A 79 -0.556 5.531 1.504 1.00 0.00 O ATOM 798 CG2 THR A 79 0.256 7.734 1.224 1.00 0.00 C ATOM 0 H THR A 79 -0.414 5.968 3.711 1.00 0.00 H new ATOM 0 HA THR A 79 -1.769 8.347 2.810 1.00 0.00 H new ATOM 0 HB THR A 79 -1.670 7.050 0.635 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.293 5.467 1.988 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.754 7.414 0.309 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.038 8.779 1.130 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.939 7.623 2.066 1.00 0.00 H new ATOM 806 N LEU A 80 -3.342 5.451 2.907 1.00 0.00 N ATOM 807 CA LEU A 80 -4.662 4.832 2.860 1.00 0.00 C ATOM 808 C LEU A 80 -5.639 5.571 3.768 1.00 0.00 C ATOM 809 O LEU A 80 -6.820 5.705 3.448 1.00 0.00 O ATOM 810 CB LEU A 80 -4.576 3.363 3.273 1.00 0.00 C ATOM 811 CG LEU A 80 -3.939 2.435 2.237 1.00 0.00 C ATOM 812 CD1 LEU A 80 -3.382 1.188 2.906 1.00 0.00 C ATOM 813 CD2 LEU A 80 -4.952 2.063 1.171 1.00 0.00 C ATOM 0 H LEU A 80 -2.586 4.815 3.161 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.028 4.892 1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.005 3.295 4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.582 3.003 3.491 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.113 2.963 1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.933 0.541 2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.625 1.474 3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.188 0.654 3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.485 1.402 0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.797 1.553 1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.303 2.966 0.672 1.00 0.00 H new ATOM 825 N ASP A 81 -5.136 6.053 4.899 1.00 0.00 N ATOM 826 CA ASP A 81 -5.961 6.784 5.851 1.00 0.00 C ATOM 827 C ASP A 81 -6.527 8.046 5.211 1.00 0.00 C ATOM 828 O ASP A 81 -7.691 8.388 5.412 1.00 0.00 O ATOM 829 CB ASP A 81 -5.145 7.146 7.094 1.00 0.00 C ATOM 830 CG ASP A 81 -5.271 6.106 8.190 1.00 0.00 C ATOM 831 OD1 ASP A 81 -6.410 5.842 8.630 1.00 0.00 O ATOM 832 OD2 ASP A 81 -4.231 5.556 8.609 1.00 0.00 O ATOM 0 H ASP A 81 -4.160 5.950 5.178 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.791 6.143 6.149 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.096 7.254 6.818 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.476 8.113 7.474 1.00 0.00 H new ATOM 837 N MET A 82 -5.692 8.731 4.434 1.00 0.00 N ATOM 838 CA MET A 82 -6.104 9.955 3.755 1.00 0.00 C ATOM 839 C MET A 82 -7.302 9.693 2.851 1.00 0.00 C ATOM 840 O MET A 82 -8.207 10.522 2.746 1.00 0.00 O ATOM 841 CB MET A 82 -4.941 10.521 2.937 1.00 0.00 C ATOM 842 CG MET A 82 -4.012 11.417 3.741 1.00 0.00 C ATOM 843 SD MET A 82 -2.740 12.190 2.724 1.00 0.00 S ATOM 844 CE MET A 82 -1.568 10.845 2.564 1.00 0.00 C ATOM 0 H MET A 82 -4.725 8.458 4.259 1.00 0.00 H new ATOM 0 HA MET A 82 -6.396 10.685 4.510 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.365 9.695 2.520 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.341 11.087 2.096 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.598 12.192 4.234 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.536 10.829 4.526 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.578 11.249 2.353 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.538 10.276 3.493 1.00 0.00 H new ATOM 0 HE3 MET A 82 -1.874 10.191 1.748 1.00 0.00 H new ATOM 854 N ALA A 83 -7.307 8.532 2.206 1.00 0.00 N ATOM 855 CA ALA A 83 -8.400 8.160 1.319 1.00 0.00 C ATOM 856 C ALA A 83 -9.711 8.078 2.089 1.00 0.00 C ATOM 857 O ALA A 83 -10.643 8.839 1.830 1.00 0.00 O ATOM 858 CB ALA A 83 -8.101 6.834 0.637 1.00 0.00 C ATOM 0 H ALA A 83 -6.567 7.834 2.281 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.499 8.930 0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.927 6.570 -0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.185 6.924 0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.976 6.057 1.391 1.00 0.00 H new ATOM 864 N ASP A 84 -9.773 7.153 3.041 1.00 0.00 N ATOM 865 CA ASP A 84 -10.967 6.971 3.857 1.00 0.00 C ATOM 866 C ASP A 84 -10.977 7.941 5.035 1.00 0.00 C ATOM 867 O ASP A 84 -11.118 7.534 6.189 1.00 0.00 O ATOM 868 CB ASP A 84 -11.049 5.529 4.363 1.00 0.00 C ATOM 869 CG ASP A 84 -12.464 4.987 4.338 1.00 0.00 C ATOM 870 OD1 ASP A 84 -12.871 4.436 3.293 1.00 0.00 O ATOM 871 OD2 ASP A 84 -13.166 5.113 5.363 1.00 0.00 O ATOM 0 H ASP A 84 -9.008 6.517 3.266 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.837 7.179 3.235 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.409 4.895 3.750 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.663 5.482 5.381 1.00 0.00 H new ATOM 876 N MET A 85 -10.831 9.228 4.736 1.00 0.00 N ATOM 877 CA MET A 85 -10.827 10.259 5.766 1.00 0.00 C ATOM 878 C MET A 85 -11.977 11.234 5.548 1.00 0.00 C ATOM 879 O MET A 85 -12.720 11.553 6.477 1.00 0.00 O ATOM 880 CB MET A 85 -9.497 11.015 5.762 1.00 0.00 C ATOM 881 CG MET A 85 -9.132 11.610 7.113 1.00 0.00 C ATOM 882 SD MET A 85 -7.788 10.724 7.925 1.00 0.00 S ATOM 883 CE MET A 85 -7.520 11.760 9.362 1.00 0.00 C ATOM 0 H MET A 85 -10.714 9.582 3.786 1.00 0.00 H new ATOM 0 HA MET A 85 -10.954 9.774 6.734 1.00 0.00 H new ATOM 0 HB2 MET A 85 -8.704 10.337 5.447 1.00 0.00 H new ATOM 0 HB3 MET A 85 -9.545 11.815 5.023 1.00 0.00 H new ATOM 0 HG2 MET A 85 -8.846 12.653 6.980 1.00 0.00 H new ATOM 0 HG3 MET A 85 -10.010 11.600 7.759 1.00 0.00 H new ATOM 0 HE1 MET A 85 -6.715 11.342 9.967 1.00 0.00 H new ATOM 0 HE2 MET A 85 -7.248 12.765 9.040 1.00 0.00 H new ATOM 0 HE3 MET A 85 -8.434 11.804 9.955 1.00 0.00 H new ATOM 893 N GLN A 86 -12.117 11.703 4.314 1.00 0.00 N ATOM 894 CA GLN A 86 -13.178 12.642 3.971 1.00 0.00 C ATOM 895 C GLN A 86 -14.557 12.000 4.150 1.00 0.00 C ATOM 896 O GLN A 86 -15.122 12.047 5.242 1.00 0.00 O ATOM 897 CB GLN A 86 -13.000 13.146 2.536 1.00 0.00 C ATOM 898 CG GLN A 86 -12.216 14.445 2.441 1.00 0.00 C ATOM 899 CD GLN A 86 -11.301 14.486 1.233 1.00 0.00 C ATOM 900 OE1 GLN A 86 -11.377 13.629 0.352 1.00 0.00 O ATOM 901 NE2 GLN A 86 -10.428 15.486 1.185 1.00 0.00 N ATOM 0 H GLN A 86 -11.510 11.449 3.535 1.00 0.00 H new ATOM 0 HA GLN A 86 -13.113 13.493 4.649 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -12.491 12.380 1.951 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -13.982 13.290 2.086 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.912 15.283 2.394 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -11.623 14.574 3.346 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -10.399 16.174 1.937 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -9.786 15.565 0.396 1.00 0.00 H new ATOM 910 N HIS A 87 -15.091 11.404 3.072 1.00 0.00 N ATOM 911 CA HIS A 87 -16.408 10.749 3.094 1.00 0.00 C ATOM 912 C HIS A 87 -17.264 11.212 4.274 1.00 0.00 C ATOM 913 O HIS A 87 -17.492 10.461 5.223 1.00 0.00 O ATOM 914 CB HIS A 87 -16.252 9.227 3.138 1.00 0.00 C ATOM 915 CG HIS A 87 -15.272 8.686 2.144 1.00 0.00 C ATOM 916 ND1 HIS A 87 -13.974 8.357 2.471 1.00 0.00 N ATOM 917 CD2 HIS A 87 -15.409 8.402 0.827 1.00 0.00 C ATOM 918 CE1 HIS A 87 -13.356 7.895 1.400 1.00 0.00 C ATOM 919 NE2 HIS A 87 -14.204 7.912 0.389 1.00 0.00 N ATOM 0 H HIS A 87 -14.625 11.363 2.166 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.920 11.037 2.176 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -15.938 8.933 4.139 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -17.224 8.767 2.961 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -13.556 8.455 3.396 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -16.300 8.536 0.232 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -12.330 7.560 1.358 1.00 0.00 H new ATOM 1110 N LEU A 101 -5.323 17.196 -0.242 1.00 0.00 N ATOM 1111 CA LEU A 101 -6.139 17.087 -1.447 1.00 0.00 C ATOM 1112 C LEU A 101 -6.783 15.704 -1.536 1.00 0.00 C ATOM 1113 O LEU A 101 -6.127 14.691 -1.297 1.00 0.00 O ATOM 1114 CB LEU A 101 -5.291 17.349 -2.695 1.00 0.00 C ATOM 1115 CG LEU A 101 -4.263 18.475 -2.559 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -3.026 18.170 -3.390 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -4.873 19.805 -2.975 1.00 0.00 C ATOM 0 HA LEU A 101 -6.927 17.838 -1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.767 16.430 -2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.957 17.585 -3.525 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.964 18.546 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.306 18.981 -3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.577 17.238 -3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.307 18.072 -4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.129 20.595 -2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.199 19.747 -4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.729 20.028 -2.338 1.00 0.00 H new ATOM 1129 N PRO A 102 -8.082 15.640 -1.881 1.00 0.00 N ATOM 1130 CA PRO A 102 -8.809 14.370 -1.993 1.00 0.00 C ATOM 1131 C PRO A 102 -8.099 13.351 -2.882 1.00 0.00 C ATOM 1132 O PRO A 102 -8.360 12.152 -2.792 1.00 0.00 O ATOM 1133 CB PRO A 102 -10.146 14.779 -2.616 1.00 0.00 C ATOM 1134 CG PRO A 102 -10.326 16.203 -2.222 1.00 0.00 C ATOM 1135 CD PRO A 102 -8.946 16.798 -2.182 1.00 0.00 C ATOM 0 HA PRO A 102 -8.901 13.877 -1.025 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -10.128 14.667 -3.700 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.962 14.159 -2.245 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.957 16.729 -2.938 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.813 16.281 -1.250 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.680 17.261 -3.132 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.864 17.570 -1.417 1.00 0.00 H new ATOM 1143 N HIS A 103 -7.209 13.829 -3.746 1.00 0.00 N ATOM 1144 CA HIS A 103 -6.479 12.946 -4.650 1.00 0.00 C ATOM 1145 C HIS A 103 -5.080 12.621 -4.122 1.00 0.00 C ATOM 1146 O HIS A 103 -4.388 11.764 -4.670 1.00 0.00 O ATOM 1147 CB HIS A 103 -6.379 13.576 -6.040 1.00 0.00 C ATOM 1148 CG HIS A 103 -5.697 14.909 -6.047 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -6.143 16.130 -6.427 1.00 0.00 N flip ATOM 1150 CD2 HIS A 103 -4.397 15.094 -5.622 1.00 0.00 C flip ATOM 1151 CE1 HIS A 103 -5.116 17.019 -6.227 1.00 0.00 C flip ATOM 1152 NE2 HIS A 103 -4.075 16.370 -5.740 1.00 0.00 N flip ATOM 0 H HIS A 103 -6.976 14.818 -3.839 1.00 0.00 H new ATOM 0 HA HIS A 103 -7.036 12.011 -4.715 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.838 12.897 -6.699 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.382 13.688 -6.452 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -7.069 16.348 -6.794 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -3.745 14.317 -5.251 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -5.154 18.078 -6.435 1.00 0.00 H new ATOM 1161 N GLU A 104 -4.663 13.302 -3.058 1.00 0.00 N ATOM 1162 CA GLU A 104 -3.346 13.062 -2.476 1.00 0.00 C ATOM 1163 C GLU A 104 -3.215 11.615 -2.013 1.00 0.00 C ATOM 1164 O GLU A 104 -2.117 11.059 -1.977 1.00 0.00 O ATOM 1165 CB GLU A 104 -3.098 14.004 -1.298 1.00 0.00 C ATOM 1166 CG GLU A 104 -2.529 15.353 -1.707 1.00 0.00 C ATOM 1167 CD GLU A 104 -1.402 15.810 -0.802 1.00 0.00 C ATOM 1168 OE1 GLU A 104 -0.359 15.123 -0.760 1.00 0.00 O ATOM 1169 OE2 GLU A 104 -1.561 16.853 -0.135 1.00 0.00 O ATOM 0 H GLU A 104 -5.213 14.019 -2.584 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.600 13.254 -3.247 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.036 14.161 -0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.411 13.526 -0.600 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.165 15.293 -2.733 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.325 16.098 -1.694 1.00 0.00 H new ATOM 1176 N ASN A 105 -4.344 11.014 -1.655 1.00 0.00 N ATOM 1177 CA ASN A 105 -4.364 9.634 -1.186 1.00 0.00 C ATOM 1178 C ASN A 105 -4.281 8.650 -2.350 1.00 0.00 C ATOM 1179 O ASN A 105 -3.443 7.749 -2.351 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.632 9.369 -0.370 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.880 9.894 -1.052 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -7.478 9.218 -1.888 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -7.276 11.109 -0.694 1.00 0.00 N ATOM 0 H ASN A 105 -5.260 11.463 -1.681 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.490 9.486 -0.552 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.736 8.297 -0.204 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.534 9.835 0.610 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -8.109 11.519 -1.117 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.748 11.633 0.004 1.00 0.00 H new ATOM 1190 N VAL A 106 -5.158 8.819 -3.335 1.00 0.00 N ATOM 1191 CA VAL A 106 -5.179 7.934 -4.495 1.00 0.00 C ATOM 1192 C VAL A 106 -3.834 7.926 -5.216 1.00 0.00 C ATOM 1193 O VAL A 106 -3.324 6.868 -5.584 1.00 0.00 O ATOM 1194 CB VAL A 106 -6.287 8.329 -5.494 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -7.653 8.270 -4.828 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -6.034 9.713 -6.072 1.00 0.00 C ATOM 0 H VAL A 106 -5.861 9.558 -3.353 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.387 6.933 -4.116 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.271 7.613 -6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.421 8.552 -5.548 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.842 7.257 -4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.676 8.959 -3.984 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -6.830 9.966 -6.773 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.014 10.446 -5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.076 9.720 -6.593 1.00 0.00 H new ATOM 1206 N ASP A 107 -3.265 9.110 -5.417 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.981 9.232 -6.096 1.00 0.00 C ATOM 1208 C ASP A 107 -0.882 8.529 -5.305 1.00 0.00 C ATOM 1209 O ASP A 107 -0.055 7.812 -5.870 1.00 0.00 O ATOM 1210 CB ASP A 107 -1.624 10.707 -6.296 1.00 0.00 C ATOM 1211 CG ASP A 107 -1.387 11.052 -7.754 1.00 0.00 C ATOM 1212 OD1 ASP A 107 -0.375 10.585 -8.318 1.00 0.00 O ATOM 1213 OD2 ASP A 107 -2.214 11.789 -8.331 1.00 0.00 O ATOM 0 H ASP A 107 -3.672 9.997 -5.120 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.064 8.753 -7.072 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.429 11.329 -5.904 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.729 10.943 -5.720 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.881 8.739 -3.994 1.00 0.00 N ATOM 1219 CA ASP A 108 0.114 8.127 -3.124 1.00 0.00 C ATOM 1220 C ASP A 108 -0.172 6.642 -2.925 1.00 0.00 C ATOM 1221 O ASP A 108 0.742 5.850 -2.694 1.00 0.00 O ATOM 1222 CB ASP A 108 0.144 8.838 -1.771 1.00 0.00 C ATOM 1223 CG ASP A 108 1.543 8.925 -1.194 1.00 0.00 C ATOM 1224 OD1 ASP A 108 2.244 7.891 -1.178 1.00 0.00 O ATOM 1225 OD2 ASP A 108 1.939 10.027 -0.760 1.00 0.00 O ATOM 0 H ASP A 108 -1.559 9.329 -3.511 1.00 0.00 H new ATOM 0 HA ASP A 108 1.088 8.228 -3.603 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.263 9.843 -1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -0.502 8.308 -1.071 1.00 0.00 H new ATOM 1230 N MET A 109 -1.445 6.267 -3.017 1.00 0.00 N ATOM 1231 CA MET A 109 -1.841 4.874 -2.848 1.00 0.00 C ATOM 1232 C MET A 109 -1.302 4.021 -3.989 1.00 0.00 C ATOM 1233 O MET A 109 -0.529 3.088 -3.770 1.00 0.00 O ATOM 1234 CB MET A 109 -3.365 4.755 -2.775 1.00 0.00 C ATOM 1235 CG MET A 109 -3.883 4.468 -1.374 1.00 0.00 C ATOM 1236 SD MET A 109 -4.924 5.791 -0.729 1.00 0.00 S ATOM 1237 CE MET A 109 -6.393 5.580 -1.731 1.00 0.00 C ATOM 0 H MET A 109 -2.217 6.906 -3.207 1.00 0.00 H new ATOM 0 HA MET A 109 -1.417 4.510 -1.912 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.812 5.681 -3.137 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.692 3.960 -3.445 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.451 3.538 -1.385 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.037 4.317 -0.703 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.630 6.519 -2.231 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.216 4.806 -2.477 1.00 0.00 H new ATOM 0 HE3 MET A 109 -7.228 5.287 -1.095 1.00 0.00 H new ATOM 1247 N ARG A 110 -1.709 4.351 -5.212 1.00 0.00 N ATOM 1248 CA ARG A 110 -1.261 3.618 -6.392 1.00 0.00 C ATOM 1249 C ARG A 110 0.257 3.468 -6.389 1.00 0.00 C ATOM 1250 O ARG A 110 0.792 2.449 -6.827 1.00 0.00 O ATOM 1251 CB ARG A 110 -1.715 4.331 -7.668 1.00 0.00 C ATOM 1252 CG ARG A 110 -1.371 5.812 -7.694 1.00 0.00 C ATOM 1253 CD ARG A 110 -0.029 6.062 -8.364 1.00 0.00 C ATOM 1254 NE ARG A 110 -0.067 7.225 -9.248 1.00 0.00 N ATOM 1255 CZ ARG A 110 -0.761 7.272 -10.383 1.00 0.00 C ATOM 1256 NH1 ARG A 110 -1.472 6.223 -10.777 1.00 0.00 N ATOM 1257 NH2 ARG A 110 -0.742 8.370 -11.126 1.00 0.00 N ATOM 0 H ARG A 110 -2.348 5.121 -5.411 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.708 2.624 -6.365 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.256 3.845 -8.529 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.794 4.215 -7.775 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.151 6.358 -8.225 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -1.348 6.199 -6.675 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.735 6.211 -7.601 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.260 5.181 -8.936 1.00 0.00 H new ATOM 0 HE ARG A 110 0.470 8.050 -8.979 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.488 5.376 -10.209 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.002 6.264 -11.647 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -0.196 9.178 -10.828 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.274 8.406 -11.996 1.00 0.00 H new ATOM 1271 N SER A 111 0.944 4.488 -5.883 1.00 0.00 N ATOM 1272 CA SER A 111 2.399 4.466 -5.813 1.00 0.00 C ATOM 1273 C SER A 111 2.873 3.311 -4.937 1.00 0.00 C ATOM 1274 O SER A 111 3.909 2.701 -5.201 1.00 0.00 O ATOM 1275 CB SER A 111 2.927 5.791 -5.261 1.00 0.00 C ATOM 1276 OG SER A 111 2.411 6.890 -5.992 1.00 0.00 O ATOM 0 H SER A 111 0.516 5.338 -5.516 1.00 0.00 H new ATOM 0 HA SER A 111 2.788 4.325 -6.821 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.651 5.887 -4.211 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.016 5.799 -5.306 1.00 0.00 H new ATOM 0 HG SER A 111 1.467 7.021 -5.763 1.00 0.00 H new ATOM 1282 N ALA A 112 2.101 3.011 -3.897 1.00 0.00 N ATOM 1283 CA ALA A 112 2.437 1.925 -2.986 1.00 0.00 C ATOM 1284 C ALA A 112 2.493 0.596 -3.729 1.00 0.00 C ATOM 1285 O ALA A 112 3.372 -0.229 -3.482 1.00 0.00 O ATOM 1286 CB ALA A 112 1.430 1.854 -1.847 1.00 0.00 C ATOM 0 H ALA A 112 1.239 3.505 -3.665 1.00 0.00 H new ATOM 0 HA ALA A 112 3.423 2.125 -2.566 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.696 1.037 -1.176 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.438 2.794 -1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.433 1.680 -2.253 1.00 0.00 H new ATOM 1292 N ILE A 113 1.551 0.397 -4.647 1.00 0.00 N ATOM 1293 CA ILE A 113 1.500 -0.831 -5.429 1.00 0.00 C ATOM 1294 C ILE A 113 2.751 -0.971 -6.293 1.00 0.00 C ATOM 1295 O ILE A 113 3.192 -2.080 -6.588 1.00 0.00 O ATOM 1296 CB ILE A 113 0.231 -0.886 -6.316 1.00 0.00 C ATOM 1297 CG1 ILE A 113 -0.351 -2.301 -6.319 1.00 0.00 C ATOM 1298 CG2 ILE A 113 0.526 -0.428 -7.740 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -1.466 -2.497 -5.314 1.00 0.00 C ATOM 0 H ILE A 113 0.816 1.069 -4.866 1.00 0.00 H new ATOM 0 HA ILE A 113 1.459 -1.665 -4.728 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.504 -0.201 -5.893 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.727 -2.529 -7.316 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.446 -3.014 -6.109 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.386 -0.479 -8.335 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.891 0.599 -7.724 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.284 -1.076 -8.181 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.831 -3.522 -5.371 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -1.089 -2.301 -4.310 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -2.281 -1.809 -5.536 1.00 0.00 H new ATOM 1311 N THR A 114 3.322 0.164 -6.688 1.00 0.00 N ATOM 1312 CA THR A 114 4.527 0.162 -7.507 1.00 0.00 C ATOM 1313 C THR A 114 5.666 -0.524 -6.763 1.00 0.00 C ATOM 1314 O THR A 114 6.463 -1.252 -7.355 1.00 0.00 O ATOM 1315 CB THR A 114 4.927 1.591 -7.874 1.00 0.00 C ATOM 1316 OG1 THR A 114 3.873 2.248 -8.556 1.00 0.00 O ATOM 1317 CG2 THR A 114 6.157 1.661 -8.753 1.00 0.00 C ATOM 0 H THR A 114 2.970 1.092 -6.454 1.00 0.00 H new ATOM 0 HA THR A 114 4.321 -0.388 -8.425 1.00 0.00 H new ATOM 0 HB THR A 114 5.149 2.081 -6.926 1.00 0.00 H new ATOM 0 HG1 THR A 114 4.148 3.161 -8.781 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.386 2.703 -8.976 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.001 1.207 -8.234 1.00 0.00 H new ATOM 0 HG23 THR A 114 5.971 1.123 -9.683 1.00 0.00 H new ATOM 1325 N ASP A 115 5.726 -0.292 -5.455 1.00 0.00 N ATOM 1326 CA ASP A 115 6.755 -0.893 -4.618 1.00 0.00 C ATOM 1327 C ASP A 115 6.334 -2.292 -4.183 1.00 0.00 C ATOM 1328 O ASP A 115 7.133 -3.228 -4.204 1.00 0.00 O ATOM 1329 CB ASP A 115 7.020 -0.019 -3.390 1.00 0.00 C ATOM 1330 CG ASP A 115 8.489 0.018 -3.011 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.293 -0.668 -3.675 1.00 0.00 O ATOM 1332 OD2 ASP A 115 8.834 0.735 -2.048 1.00 0.00 O ATOM 0 H ASP A 115 5.072 0.309 -4.953 1.00 0.00 H new ATOM 0 HA ASP A 115 7.674 -0.968 -5.200 1.00 0.00 H new ATOM 0 HB2 ASP A 115 6.673 0.995 -3.588 1.00 0.00 H new ATOM 0 HB3 ASP A 115 6.440 -0.396 -2.548 1.00 0.00 H new ATOM 1337 N TRP A 116 5.068 -2.429 -3.797 1.00 0.00 N ATOM 1338 CA TRP A 116 4.535 -3.715 -3.367 1.00 0.00 C ATOM 1339 C TRP A 116 4.561 -4.713 -4.518 1.00 0.00 C ATOM 1340 O TRP A 116 5.080 -5.821 -4.381 1.00 0.00 O ATOM 1341 CB TRP A 116 3.106 -3.554 -2.846 1.00 0.00 C ATOM 1342 CG TRP A 116 3.042 -3.199 -1.393 1.00 0.00 C ATOM 1343 CD1 TRP A 116 2.955 -1.945 -0.859 1.00 0.00 C ATOM 1344 CD2 TRP A 116 3.063 -4.107 -0.286 1.00 0.00 C ATOM 1345 NE1 TRP A 116 2.921 -2.019 0.512 1.00 0.00 N ATOM 1346 CE2 TRP A 116 2.985 -3.335 0.888 1.00 0.00 C ATOM 1347 CE3 TRP A 116 3.139 -5.499 -0.174 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 2.982 -3.909 2.157 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 3.135 -6.067 1.086 1.00 0.00 C ATOM 1350 CH2 TRP A 116 3.057 -5.273 2.237 1.00 0.00 C ATOM 0 H TRP A 116 4.394 -1.664 -3.774 1.00 0.00 H new ATOM 0 HA TRP A 116 5.162 -4.094 -2.560 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.601 -2.781 -3.424 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.560 -4.483 -3.010 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.918 -1.030 -1.431 1.00 0.00 H new ATOM 0 HE1 TRP A 116 2.858 -1.223 1.147 1.00 0.00 H new ATOM 0 HE3 TRP A 116 3.200 -6.119 -1.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 2.923 -3.299 3.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.193 -7.141 1.185 1.00 0.00 H new ATOM 0 HH2 TRP A 116 3.056 -5.747 3.207 1.00 0.00 H new ATOM 1361 N SER A 117 4.005 -4.308 -5.657 1.00 0.00 N ATOM 1362 CA SER A 117 3.973 -5.162 -6.839 1.00 0.00 C ATOM 1363 C SER A 117 5.379 -5.635 -7.190 1.00 0.00 C ATOM 1364 O SER A 117 5.600 -6.812 -7.476 1.00 0.00 O ATOM 1365 CB SER A 117 3.364 -4.409 -8.023 1.00 0.00 C ATOM 1366 OG SER A 117 2.004 -4.092 -7.781 1.00 0.00 O ATOM 0 H SER A 117 3.571 -3.394 -5.785 1.00 0.00 H new ATOM 0 HA SER A 117 3.354 -6.032 -6.619 1.00 0.00 H new ATOM 0 HB2 SER A 117 3.927 -3.494 -8.204 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.444 -5.017 -8.924 1.00 0.00 H new ATOM 0 HG SER A 117 1.931 -3.156 -7.501 1.00 0.00 H new ATOM 1372 N ASP A 118 6.330 -4.706 -7.154 1.00 0.00 N ATOM 1373 CA ASP A 118 7.719 -5.021 -7.456 1.00 0.00 C ATOM 1374 C ASP A 118 8.254 -6.056 -6.473 1.00 0.00 C ATOM 1375 O ASP A 118 9.088 -6.890 -6.825 1.00 0.00 O ATOM 1376 CB ASP A 118 8.575 -3.754 -7.399 1.00 0.00 C ATOM 1377 CG ASP A 118 9.998 -3.997 -7.863 1.00 0.00 C ATOM 1378 OD1 ASP A 118 10.603 -4.998 -7.426 1.00 0.00 O ATOM 1379 OD2 ASP A 118 10.507 -3.186 -8.665 1.00 0.00 O ATOM 0 H ASP A 118 6.162 -3.728 -6.918 1.00 0.00 H new ATOM 0 HA ASP A 118 7.768 -5.435 -8.463 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.120 -2.983 -8.020 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.589 -3.374 -6.378 1.00 0.00 H new ATOM 1384 N MET A 119 7.762 -5.997 -5.240 1.00 0.00 N ATOM 1385 CA MET A 119 8.183 -6.930 -4.204 1.00 0.00 C ATOM 1386 C MET A 119 7.684 -8.336 -4.515 1.00 0.00 C ATOM 1387 O MET A 119 8.378 -9.320 -4.269 1.00 0.00 O ATOM 1388 CB MET A 119 7.664 -6.482 -2.837 1.00 0.00 C ATOM 1389 CG MET A 119 8.413 -7.104 -1.669 1.00 0.00 C ATOM 1390 SD MET A 119 8.093 -6.258 -0.109 1.00 0.00 S ATOM 1391 CE MET A 119 9.763 -5.891 0.424 1.00 0.00 C ATOM 0 H MET A 119 7.071 -5.312 -4.935 1.00 0.00 H new ATOM 0 HA MET A 119 9.273 -6.943 -4.179 1.00 0.00 H new ATOM 0 HB2 MET A 119 7.736 -5.397 -2.768 1.00 0.00 H new ATOM 0 HB3 MET A 119 6.607 -6.737 -2.757 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.127 -8.151 -1.575 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.483 -7.083 -1.876 1.00 0.00 H new ATOM 0 HE1 MET A 119 9.791 -5.823 1.512 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.433 -6.684 0.092 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.082 -4.942 -0.007 1.00 0.00 H new ATOM 1401 N ARG A 120 6.477 -8.425 -5.064 1.00 0.00 N ATOM 1402 CA ARG A 120 5.893 -9.714 -5.413 1.00 0.00 C ATOM 1403 C ARG A 120 6.829 -10.497 -6.329 1.00 0.00 C ATOM 1404 O ARG A 120 7.008 -11.704 -6.168 1.00 0.00 O ATOM 1405 CB ARG A 120 4.535 -9.518 -6.091 1.00 0.00 C ATOM 1406 CG ARG A 120 3.358 -9.614 -5.134 1.00 0.00 C ATOM 1407 CD ARG A 120 2.065 -9.155 -5.790 1.00 0.00 C ATOM 1408 NE ARG A 120 1.639 -7.845 -5.302 1.00 0.00 N ATOM 1409 CZ ARG A 120 0.402 -7.370 -5.436 1.00 0.00 C ATOM 1410 NH1 ARG A 120 -0.532 -8.093 -6.041 1.00 0.00 N ATOM 1411 NH2 ARG A 120 0.099 -6.169 -4.963 1.00 0.00 N ATOM 0 H ARG A 120 5.886 -7.621 -5.276 1.00 0.00 H new ATOM 0 HA ARG A 120 5.748 -10.284 -4.495 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.518 -8.543 -6.577 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.418 -10.267 -6.874 1.00 0.00 H new ATOM 0 HG2 ARG A 120 3.248 -10.644 -4.793 1.00 0.00 H new ATOM 0 HG3 ARG A 120 3.555 -9.005 -4.252 1.00 0.00 H new ATOM 0 HD2 ARG A 120 2.202 -9.113 -6.871 1.00 0.00 H new ATOM 0 HD3 ARG A 120 1.281 -9.887 -5.597 1.00 0.00 H new ATOM 0 HE ARG A 120 2.329 -7.260 -4.831 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -0.304 -9.018 -6.406 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -1.478 -7.724 -6.141 1.00 0.00 H new ATOM 0 HH21 ARG A 120 0.813 -5.609 -4.497 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -0.848 -5.805 -5.065 1.00 0.00 H new ATOM 1425 N GLU A 121 7.427 -9.796 -7.287 1.00 0.00 N ATOM 1426 CA GLU A 121 8.350 -10.420 -8.228 1.00 0.00 C ATOM 1427 C GLU A 121 9.749 -10.531 -7.627 1.00 0.00 C ATOM 1428 O GLU A 121 10.417 -11.555 -7.770 1.00 0.00 O ATOM 1429 CB GLU A 121 8.406 -9.616 -9.529 1.00 0.00 C ATOM 1430 CG GLU A 121 7.390 -10.066 -10.567 1.00 0.00 C ATOM 1431 CD GLU A 121 8.025 -10.374 -11.910 1.00 0.00 C ATOM 1432 OE1 GLU A 121 8.892 -11.270 -11.965 1.00 0.00 O ATOM 1433 OE2 GLU A 121 7.654 -9.717 -12.906 1.00 0.00 O ATOM 0 H GLU A 121 7.289 -8.796 -7.432 1.00 0.00 H new ATOM 0 HA GLU A 121 7.985 -11.424 -8.443 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.240 -8.563 -9.303 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.407 -9.697 -9.953 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.872 -10.953 -10.202 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.638 -9.288 -10.695 1.00 0.00 H new ATOM 1440 N ALA A 122 10.185 -9.470 -6.956 1.00 0.00 N ATOM 1441 CA ALA A 122 11.505 -9.447 -6.334 1.00 0.00 C ATOM 1442 C ALA A 122 11.589 -10.442 -5.182 1.00 0.00 C ATOM 1443 O ALA A 122 12.412 -11.357 -5.198 1.00 0.00 O ATOM 1444 CB ALA A 122 11.832 -8.044 -5.845 1.00 0.00 C ATOM 0 H ALA A 122 9.644 -8.615 -6.829 1.00 0.00 H new ATOM 0 HA ALA A 122 12.238 -9.740 -7.086 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.819 -8.041 -5.383 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.824 -7.354 -6.688 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.088 -7.731 -5.113 1.00 0.00 H new ATOM 1450 N LEU A 123 10.733 -10.256 -4.183 1.00 0.00 N ATOM 1451 CA LEU A 123 10.707 -11.134 -3.018 1.00 0.00 C ATOM 1452 C LEU A 123 10.577 -12.596 -3.436 1.00 0.00 C ATOM 1453 O LEU A 123 11.248 -13.470 -2.887 1.00 0.00 O ATOM 1454 CB LEU A 123 9.551 -10.749 -2.090 1.00 0.00 C ATOM 1455 CG LEU A 123 9.860 -10.840 -0.595 1.00 0.00 C ATOM 1456 CD1 LEU A 123 11.026 -9.932 -0.234 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.629 -10.484 0.225 1.00 0.00 C ATOM 0 H LEU A 123 10.046 -9.503 -4.157 1.00 0.00 H new ATOM 0 HA LEU A 123 11.649 -11.014 -2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 123 9.245 -9.728 -2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.700 -11.394 -2.309 1.00 0.00 H new ATOM 0 HG LEU A 123 10.142 -11.867 -0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.231 -10.010 0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.910 -10.234 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.774 -8.901 -0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.866 -10.554 1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.316 -9.467 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.821 -11.176 -0.012 1.00 0.00 H new ATOM 1469 N GLN A 124 9.711 -12.857 -4.412 1.00 0.00 N ATOM 1470 CA GLN A 124 9.499 -14.215 -4.901 1.00 0.00 C ATOM 1471 C GLN A 124 10.800 -14.814 -5.424 1.00 0.00 C ATOM 1472 O GLN A 124 11.171 -15.930 -5.060 1.00 0.00 O ATOM 1473 CB GLN A 124 8.441 -14.223 -6.006 1.00 0.00 C ATOM 1474 CG GLN A 124 7.019 -14.363 -5.487 1.00 0.00 C ATOM 1475 CD GLN A 124 5.995 -14.426 -6.603 1.00 0.00 C ATOM 1476 OE1 GLN A 124 5.170 -15.467 -6.591 1.00 0.00 O flip ATOM 1477 NE2 GLN A 124 5.944 -13.549 -7.465 1.00 0.00 N flip ATOM 0 H GLN A 124 9.146 -12.147 -4.878 1.00 0.00 H new ATOM 0 HA GLN A 124 9.148 -14.823 -4.067 1.00 0.00 H new ATOM 0 HB2 GLN A 124 8.520 -13.300 -6.580 1.00 0.00 H new ATOM 0 HB3 GLN A 124 8.651 -15.044 -6.692 1.00 0.00 H new ATOM 0 HG2 GLN A 124 6.945 -15.265 -4.880 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.789 -13.520 -4.835 1.00 0.00 H new ATOM 0 HE21 GLN A 124 6.598 -12.767 -7.436 1.00 0.00 H new ATOM 0 HE22 GLN A 124 5.248 -13.605 -8.209 1.00 0.00 H new ATOM 1486 N HIS A 125 11.490 -14.065 -6.278 1.00 0.00 N ATOM 1487 CA HIS A 125 12.752 -14.523 -6.849 1.00 0.00 C ATOM 1488 C HIS A 125 13.781 -14.785 -5.755 1.00 0.00 C ATOM 1489 O HIS A 125 14.387 -15.855 -5.702 1.00 0.00 O ATOM 1490 CB HIS A 125 13.293 -13.489 -7.838 1.00 0.00 C ATOM 1491 CG HIS A 125 12.637 -13.547 -9.183 1.00 0.00 C ATOM 1492 ND1 HIS A 125 11.272 -13.461 -9.360 1.00 0.00 N ATOM 1493 CD2 HIS A 125 13.167 -13.682 -10.422 1.00 0.00 C ATOM 1494 CE1 HIS A 125 10.991 -13.543 -10.648 1.00 0.00 C ATOM 1495 NE2 HIS A 125 12.123 -13.676 -11.314 1.00 0.00 N ATOM 0 H HIS A 125 11.197 -13.139 -6.590 1.00 0.00 H new ATOM 0 HA HIS A 125 12.565 -15.458 -7.377 1.00 0.00 H new ATOM 0 HB2 HIS A 125 13.157 -12.492 -7.419 1.00 0.00 H new ATOM 0 HB3 HIS A 125 14.366 -13.640 -7.959 1.00 0.00 H new ATOM 0 HD1 HIS A 125 10.586 -13.351 -8.613 1.00 0.00 H new ATOM 0 HD2 HIS A 125 14.215 -13.777 -10.663 1.00 0.00 H new ATOM 0 HE1 HIS A 125 10.003 -13.507 -11.083 1.00 0.00 H new ATOM 1504 N ALA A 126 13.971 -13.801 -4.882 1.00 0.00 N ATOM 1505 CA ALA A 126 14.926 -13.926 -3.787 1.00 0.00 C ATOM 1506 C ALA A 126 14.548 -15.077 -2.861 1.00 0.00 C ATOM 1507 O ALA A 126 15.416 -15.774 -2.334 1.00 0.00 O ATOM 1508 CB ALA A 126 15.007 -12.622 -3.008 1.00 0.00 C ATOM 0 H ALA A 126 13.477 -12.909 -4.911 1.00 0.00 H new ATOM 0 HA ALA A 126 15.906 -14.143 -4.212 1.00 0.00 H new ATOM 0 HB1 ALA A 126 15.723 -12.729 -2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 126 15.330 -11.821 -3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 126 14.026 -12.381 -2.599 1.00 0.00 H new ATOM 1514 N MET A 127 13.247 -15.273 -2.669 1.00 0.00 N ATOM 1515 CA MET A 127 12.752 -16.342 -1.808 1.00 0.00 C ATOM 1516 C MET A 127 13.244 -17.703 -2.292 1.00 0.00 C ATOM 1517 O MET A 127 13.393 -18.637 -1.504 1.00 0.00 O ATOM 1518 CB MET A 127 11.223 -16.327 -1.771 1.00 0.00 C ATOM 1519 CG MET A 127 10.634 -17.125 -0.619 1.00 0.00 C ATOM 1520 SD MET A 127 8.903 -17.553 -0.885 1.00 0.00 S ATOM 1521 CE MET A 127 8.170 -15.925 -1.033 1.00 0.00 C ATOM 0 H MET A 127 12.516 -14.705 -3.098 1.00 0.00 H new ATOM 0 HA MET A 127 13.137 -16.172 -0.803 1.00 0.00 H new ATOM 0 HB2 MET A 127 10.880 -15.295 -1.700 1.00 0.00 H new ATOM 0 HB3 MET A 127 10.841 -16.726 -2.711 1.00 0.00 H new ATOM 0 HG2 MET A 127 11.213 -18.038 -0.481 1.00 0.00 H new ATOM 0 HG3 MET A 127 10.724 -16.548 0.301 1.00 0.00 H new ATOM 0 HE1 MET A 127 7.147 -15.951 -0.659 1.00 0.00 H new ATOM 0 HE2 MET A 127 8.751 -15.210 -0.451 1.00 0.00 H new ATOM 0 HE3 MET A 127 8.166 -15.622 -2.080 1.00 0.00 H new ATOM 1531 N GLY A 128 13.494 -17.806 -3.593 1.00 0.00 N ATOM 1532 CA GLY A 128 13.966 -19.055 -4.162 1.00 0.00 C ATOM 1533 C GLY A 128 13.198 -19.456 -5.407 1.00 0.00 C ATOM 1534 O GLY A 128 13.006 -20.643 -5.669 1.00 0.00 O ATOM 0 H GLY A 128 13.378 -17.047 -4.264 1.00 0.00 H new ATOM 0 HA2 GLY A 128 15.024 -18.962 -4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 128 13.880 -19.845 -3.416 1.00 0.00 H new ATOM 1538 N ILE A 129 12.758 -18.465 -6.178 1.00 0.00 N ATOM 1539 CA ILE A 129 12.009 -18.723 -7.402 1.00 0.00 C ATOM 1540 C ILE A 129 12.692 -18.084 -8.605 1.00 0.00 C ATOM 1541 O ILE A 129 13.499 -17.166 -8.458 1.00 0.00 O ATOM 1542 CB ILE A 129 10.566 -18.190 -7.302 1.00 0.00 C ATOM 1543 CG1 ILE A 129 9.930 -18.615 -5.978 1.00 0.00 C ATOM 1544 CG2 ILE A 129 9.736 -18.684 -8.477 1.00 0.00 C ATOM 1545 CD1 ILE A 129 8.571 -17.997 -5.734 1.00 0.00 C ATOM 0 H ILE A 129 12.908 -17.477 -5.976 1.00 0.00 H new ATOM 0 HA ILE A 129 11.979 -19.805 -7.534 1.00 0.00 H new ATOM 0 HB ILE A 129 10.595 -17.101 -7.335 1.00 0.00 H new ATOM 0 HG12 ILE A 129 9.834 -19.701 -5.962 1.00 0.00 H new ATOM 0 HG13 ILE A 129 10.596 -18.342 -5.160 1.00 0.00 H new ATOM 0 HG21 ILE A 129 8.720 -18.299 -8.392 1.00 0.00 H new ATOM 0 HG22 ILE A 129 10.180 -18.334 -9.409 1.00 0.00 H new ATOM 0 HG23 ILE A 129 9.713 -19.774 -8.473 1.00 0.00 H new ATOM 0 HD11 ILE A 129 8.180 -18.343 -4.777 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.663 -16.911 -5.717 1.00 0.00 H new ATOM 0 HD13 ILE A 129 7.889 -18.291 -6.532 1.00 0.00 H new