USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 629 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 2 HIS : no HD1:sc= -3.13! C(o=-12!,f=-22!) USER MOD Set 1.2: A 3 HIS : no HD1:sc= -6.81! C(o=-12!,f=-15!) USER MOD Set 1.3: A 4 HIS : no HD1:sc= -2.2 K(o=-12,f=-21!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -136:sc= 0.432 (180deg=-1.52!) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS :FLIP no HD1:sc= -1.64 F(o=-2.5!,f=-1.6) USER MOD Single : A 7 HIS : no HD1:sc= -2.04! C(o=-2!,f=-8.2!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 44:sc= 0.262 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0706 USER MOD Single : A 17 GLN : amide:sc= -0.657 K(o=-0.66,f=-2.2!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.036 USER MOD Single : A 35 GLN :FLIP amide:sc= -2.34! C(o=-2.9!,f=-2.3!) USER MOD Single : A 36 TYR OH : rot 30:sc= 0 USER MOD Single : A 38 GLN :FLIP amide:sc= -0.0116 F(o=-1.7!,f=-0.012) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -2.67 K(o=-2.7,f=-4.7!) USER MOD Single : A 53 LYS NZ :NH3+ 144:sc= -2.38 (180deg=-4.14) USER MOD Single : A 54 ASN :FLIP amide:sc= -1.31 F(o=-2.7!,f=-1.3) USER MOD Single : A 56 HIS : no HE2:sc= -2.1! C(o=-2.1!,f=-3.9!) USER MOD Single : A 61 LYS NZ :NH3+ 157:sc= -5.08! (180deg=-5.65!) USER MOD Single : A 68 CYS SG : rot -76:sc= -0.323 USER MOD Single : A 72 ASN : amide:sc=-0.00493 X(o=-0.0049,f=-0.016) USER MOD Single : A 73 THR OG1 : rot 91:sc= 0.868 USER MOD Single : A 75 ASN : amide:sc= -5.34! C(o=-5.3!,f=-6.9!) USER MOD Single : A 76 LYS NZ :NH3+ -156:sc= 0.0575 (180deg=-0.24) USER MOD Single : A 77 CYS SG : rot -44:sc= 0.00293 USER MOD Single : A 79 SER OG : rot 94:sc= 0.218 USER MOD Single : A 80 MET CE :methyl 168:sc= 0 (180deg=-0.173) USER MOD Single : A 81 LYS NZ :NH3+ 169:sc= -0.565 (180deg=-0.867) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.366 -7.165 35.123 1.00 1.00 N ATOM 2 CA MET A 1 4.271 -6.111 34.074 1.00 1.00 C ATOM 3 C MET A 1 3.950 -4.773 34.729 1.00 1.00 C ATOM 4 O MET A 1 2.802 -4.504 35.086 1.00 1.00 O ATOM 5 CB MET A 1 3.170 -6.483 33.080 1.00 1.00 C ATOM 6 CG MET A 1 3.257 -7.976 32.755 1.00 1.00 C ATOM 7 SD MET A 1 1.998 -8.873 33.697 1.00 1.00 S ATOM 8 CE MET A 1 1.359 -9.870 32.330 1.00 1.00 C ATOM 0 H1 MET A 1 5.196 -7.765 34.939 1.00 1.00 H new ATOM 0 H2 MET A 1 4.463 -6.718 36.057 1.00 1.00 H new ATOM 0 H3 MET A 1 3.506 -7.750 35.107 1.00 1.00 H new ATOM 0 HA MET A 1 5.220 -6.032 33.544 1.00 1.00 H new ATOM 0 HB2 MET A 1 2.192 -6.248 33.500 1.00 1.00 H new ATOM 0 HB3 MET A 1 3.275 -5.895 32.168 1.00 1.00 H new ATOM 0 HG2 MET A 1 3.110 -8.136 31.687 1.00 1.00 H new ATOM 0 HG3 MET A 1 4.249 -8.355 33.000 1.00 1.00 H new ATOM 0 HE1 MET A 1 0.556 -10.512 32.692 1.00 1.00 H new ATOM 0 HE2 MET A 1 0.974 -9.213 31.550 1.00 1.00 H new ATOM 0 HE3 MET A 1 2.161 -10.486 31.923 1.00 1.00 H new ATOM 20 N HIS A 2 4.970 -3.935 34.886 1.00 1.00 N ATOM 21 CA HIS A 2 4.784 -2.626 35.500 1.00 1.00 C ATOM 22 C HIS A 2 3.930 -1.731 34.608 1.00 1.00 C ATOM 23 O HIS A 2 3.730 -2.024 33.430 1.00 1.00 O ATOM 24 CB HIS A 2 6.143 -1.964 35.740 1.00 1.00 C ATOM 25 CG HIS A 2 6.366 -1.796 37.217 1.00 1.00 C ATOM 26 ND1 HIS A 2 6.097 -0.605 37.876 1.00 1.00 N ATOM 27 CD2 HIS A 2 6.833 -2.658 38.179 1.00 1.00 C ATOM 28 CE1 HIS A 2 6.400 -0.782 39.174 1.00 1.00 C ATOM 29 NE2 HIS A 2 6.853 -2.014 39.413 1.00 1.00 N ATOM 0 H HIS A 2 5.927 -4.137 34.599 1.00 1.00 H new ATOM 0 HA HIS A 2 4.273 -2.762 36.453 1.00 1.00 H new ATOM 0 HB2 HIS A 2 6.937 -2.573 35.309 1.00 1.00 H new ATOM 0 HB3 HIS A 2 6.180 -0.994 35.243 1.00 1.00 H new ATOM 0 HD2 HIS A 2 7.138 -3.679 38.005 1.00 1.00 H new ATOM 0 HE1 HIS A 2 6.290 -0.020 39.931 1.00 1.00 H new ATOM 0 HE2 HIS A 2 7.150 -2.401 40.309 1.00 1.00 H new ATOM 37 N HIS A 3 3.428 -0.642 35.179 1.00 1.00 N ATOM 38 CA HIS A 3 2.595 0.289 34.425 1.00 1.00 C ATOM 39 C HIS A 3 3.394 0.926 33.292 1.00 1.00 C ATOM 40 O HIS A 3 2.823 1.464 32.344 1.00 1.00 O ATOM 41 CB HIS A 3 2.063 1.382 35.353 1.00 1.00 C ATOM 42 CG HIS A 3 3.109 1.724 36.378 1.00 1.00 C ATOM 43 ND1 HIS A 3 4.451 1.434 36.189 1.00 1.00 N ATOM 44 CD2 HIS A 3 3.027 2.334 37.606 1.00 1.00 C ATOM 45 CE1 HIS A 3 5.116 1.863 37.277 1.00 1.00 C ATOM 46 NE2 HIS A 3 4.296 2.420 38.172 1.00 1.00 N ATOM 0 H HIS A 3 3.581 -0.383 36.154 1.00 1.00 H new ATOM 0 HA HIS A 3 1.759 -0.265 33.998 1.00 1.00 H new ATOM 0 HB2 HIS A 3 1.801 2.269 34.775 1.00 1.00 H new ATOM 0 HB3 HIS A 3 1.152 1.043 35.847 1.00 1.00 H new ATOM 0 HD2 HIS A 3 2.116 2.692 38.063 1.00 1.00 H new ATOM 0 HE1 HIS A 3 6.184 1.768 37.410 1.00 1.00 H new ATOM 0 HE2 HIS A 3 4.546 2.822 39.076 1.00 1.00 H new ATOM 54 N HIS A 4 4.717 0.859 33.398 1.00 1.00 N ATOM 55 CA HIS A 4 5.584 1.432 32.374 1.00 1.00 C ATOM 56 C HIS A 4 5.734 0.471 31.200 1.00 1.00 C ATOM 57 O HIS A 4 6.837 0.019 30.891 1.00 1.00 O ATOM 58 CB HIS A 4 6.962 1.734 32.968 1.00 1.00 C ATOM 59 CG HIS A 4 6.908 3.030 33.729 1.00 1.00 C ATOM 60 ND1 HIS A 4 6.361 3.118 35.001 1.00 1.00 N ATOM 61 CD2 HIS A 4 7.324 4.299 33.412 1.00 1.00 C ATOM 62 CE1 HIS A 4 6.465 4.400 35.398 1.00 1.00 C ATOM 63 NE2 HIS A 4 7.043 5.162 34.467 1.00 1.00 N ATOM 0 H HIS A 4 5.209 0.418 34.175 1.00 1.00 H new ATOM 0 HA HIS A 4 5.131 2.357 32.016 1.00 1.00 H new ATOM 0 HB2 HIS A 4 7.270 0.924 33.630 1.00 1.00 H new ATOM 0 HB3 HIS A 4 7.706 1.797 32.174 1.00 1.00 H new ATOM 0 HD2 HIS A 4 7.798 4.585 32.484 1.00 1.00 H new ATOM 0 HE1 HIS A 4 6.122 4.767 36.354 1.00 1.00 H new ATOM 0 HE2 HIS A 4 7.237 6.162 34.518 1.00 1.00 H new ATOM 71 N HIS A 5 4.618 0.162 30.547 1.00 1.00 N ATOM 72 CA HIS A 5 4.636 -0.747 29.407 1.00 1.00 C ATOM 73 C HIS A 5 3.624 -0.306 28.355 1.00 1.00 C ATOM 74 O HIS A 5 2.420 -0.306 28.601 1.00 1.00 O ATOM 75 CB HIS A 5 4.312 -2.169 29.868 1.00 1.00 C ATOM 76 CG HIS A 5 5.369 -3.114 29.365 1.00 1.00 C ATOM 77 ND1 HIS A 5 5.256 -3.769 28.149 1.00 1.00 N ATOM 78 CD2 HIS A 5 6.565 -3.521 29.900 1.00 1.00 C ATOM 79 CE1 HIS A 5 6.354 -4.531 27.994 1.00 1.00 C ATOM 80 NE2 HIS A 5 7.185 -4.417 29.034 1.00 1.00 N ATOM 0 H HIS A 5 3.695 0.525 30.786 1.00 1.00 H new ATOM 0 HA HIS A 5 5.632 -0.728 28.966 1.00 1.00 H new ATOM 0 HB2 HIS A 5 4.263 -2.207 30.956 1.00 1.00 H new ATOM 0 HB3 HIS A 5 3.333 -2.469 29.494 1.00 1.00 H new ATOM 0 HD2 HIS A 5 6.965 -3.196 30.849 1.00 1.00 H new ATOM 0 HE1 HIS A 5 6.541 -5.158 27.135 1.00 1.00 H new ATOM 0 HE2 HIS A 5 8.081 -4.886 29.165 1.00 1.00 H new ATOM 88 N HIS A 6 4.124 0.068 27.181 1.00 1.00 N ATOM 89 CA HIS A 6 3.254 0.508 26.098 1.00 1.00 C ATOM 90 C HIS A 6 4.037 0.622 24.793 1.00 1.00 C ATOM 91 O HIS A 6 5.259 0.477 24.778 1.00 1.00 O ATOM 92 CB HIS A 6 2.635 1.864 26.443 1.00 1.00 C ATOM 93 CG HIS A 6 3.426 2.509 27.547 1.00 1.00 C ATOM 94 ND1 HIS A 6 4.777 2.653 27.746 1.00 1.00 N flip ATOM 95 CD2 HIS A 6 2.817 3.114 28.636 1.00 1.00 C flip ATOM 96 CE1 HIS A 6 5.005 3.334 28.939 1.00 1.00 C flip ATOM 97 NE2 HIS A 6 3.791 3.589 29.434 1.00 1.00 N flip ATOM 0 H HIS A 6 5.119 0.075 26.957 1.00 1.00 H new ATOM 0 HA HIS A 6 2.463 -0.231 25.971 1.00 1.00 H new ATOM 0 HB2 HIS A 6 2.627 2.507 25.563 1.00 1.00 H new ATOM 0 HB3 HIS A 6 1.598 1.734 26.752 1.00 1.00 H new ATOM 0 HD2 HIS A 6 1.754 3.190 28.812 1.00 1.00 H new ATOM 0 HE1 HIS A 6 5.959 3.599 29.371 1.00 1.00 H new ATOM 0 HE2 HIS A 6 3.623 4.083 30.310 1.00 1.00 H new ATOM 105 N HIS A 7 3.324 0.881 23.702 1.00 1.00 N ATOM 106 CA HIS A 7 3.962 1.011 22.397 1.00 1.00 C ATOM 107 C HIS A 7 3.362 2.178 21.621 1.00 1.00 C ATOM 108 O HIS A 7 2.298 2.050 21.013 1.00 1.00 O ATOM 109 CB HIS A 7 3.787 -0.281 21.598 1.00 1.00 C ATOM 110 CG HIS A 7 2.321 -0.547 21.390 1.00 1.00 C ATOM 111 ND1 HIS A 7 1.347 -0.001 22.211 1.00 1.00 N ATOM 112 CD2 HIS A 7 1.648 -1.300 20.460 1.00 1.00 C ATOM 113 CE1 HIS A 7 0.152 -0.427 21.763 1.00 1.00 C ATOM 114 NE2 HIS A 7 0.279 -1.222 20.697 1.00 1.00 N ATOM 0 H HIS A 7 2.312 1.004 23.695 1.00 1.00 H new ATOM 0 HA HIS A 7 5.024 1.200 22.551 1.00 1.00 H new ATOM 0 HB2 HIS A 7 4.293 -0.198 20.636 1.00 1.00 H new ATOM 0 HB3 HIS A 7 4.247 -1.115 22.129 1.00 1.00 H new ATOM 0 HD2 HIS A 7 2.111 -1.867 19.665 1.00 1.00 H new ATOM 0 HE1 HIS A 7 -0.794 -0.159 22.210 1.00 1.00 H new ATOM 0 HE2 HIS A 7 -0.468 -1.675 20.170 1.00 1.00 H new ATOM 122 N SER A 8 4.051 3.314 21.643 1.00 1.00 N ATOM 123 CA SER A 8 3.575 4.499 20.937 1.00 1.00 C ATOM 124 C SER A 8 4.127 4.532 19.515 1.00 1.00 C ATOM 125 O SER A 8 5.073 3.816 19.190 1.00 1.00 O ATOM 126 CB SER A 8 4.007 5.761 21.684 1.00 1.00 C ATOM 127 OG SER A 8 3.456 5.741 22.994 1.00 1.00 O ATOM 0 H SER A 8 4.934 3.440 22.138 1.00 1.00 H new ATOM 0 HA SER A 8 2.487 4.460 20.892 1.00 1.00 H new ATOM 0 HB2 SER A 8 5.095 5.813 21.735 1.00 1.00 H new ATOM 0 HB3 SER A 8 3.670 6.648 21.148 1.00 1.00 H new ATOM 0 HG SER A 8 3.732 6.548 23.477 1.00 1.00 H new ATOM 133 N SER A 9 3.529 5.370 18.673 1.00 1.00 N ATOM 134 CA SER A 9 3.970 5.489 17.288 1.00 1.00 C ATOM 135 C SER A 9 3.602 6.858 16.726 1.00 1.00 C ATOM 136 O SER A 9 2.424 7.182 16.575 1.00 1.00 O ATOM 137 CB SER A 9 3.322 4.396 16.440 1.00 1.00 C ATOM 138 OG SER A 9 1.932 4.338 16.728 1.00 1.00 O ATOM 0 H SER A 9 2.744 5.972 18.923 1.00 1.00 H new ATOM 0 HA SER A 9 5.054 5.376 17.259 1.00 1.00 H new ATOM 0 HB2 SER A 9 3.477 4.602 15.381 1.00 1.00 H new ATOM 0 HB3 SER A 9 3.789 3.433 16.649 1.00 1.00 H new ATOM 0 HG SER A 9 1.569 5.247 16.772 1.00 1.00 H new ATOM 144 N GLY A 10 4.619 7.658 16.416 1.00 1.00 N ATOM 145 CA GLY A 10 4.390 8.991 15.870 1.00 1.00 C ATOM 146 C GLY A 10 3.687 8.912 14.520 1.00 1.00 C ATOM 147 O GLY A 10 3.174 7.862 14.136 1.00 1.00 O ATOM 0 H GLY A 10 5.601 7.409 16.533 1.00 1.00 H new ATOM 0 HA2 GLY A 10 3.786 9.574 16.565 1.00 1.00 H new ATOM 0 HA3 GLY A 10 5.341 9.511 15.759 1.00 1.00 H new ATOM 151 N LEU A 11 3.667 10.031 13.802 1.00 1.00 N ATOM 152 CA LEU A 11 3.024 10.077 12.494 1.00 1.00 C ATOM 153 C LEU A 11 3.661 11.153 11.621 1.00 1.00 C ATOM 154 O LEU A 11 3.734 12.320 12.012 1.00 1.00 O ATOM 155 CB LEU A 11 1.530 10.368 12.658 1.00 1.00 C ATOM 156 CG LEU A 11 0.722 9.117 12.302 1.00 1.00 C ATOM 157 CD1 LEU A 11 -0.742 9.326 12.691 1.00 1.00 C ATOM 158 CD2 LEU A 11 0.815 8.861 10.796 1.00 1.00 C ATOM 0 H LEU A 11 4.085 10.912 14.101 1.00 1.00 H new ATOM 0 HA LEU A 11 3.155 9.109 12.010 1.00 1.00 H new ATOM 0 HB2 LEU A 11 1.318 10.670 13.684 1.00 1.00 H new ATOM 0 HB3 LEU A 11 1.238 11.198 12.014 1.00 1.00 H new ATOM 0 HG LEU A 11 1.124 8.261 12.843 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -1.317 8.435 12.437 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -0.811 9.509 13.763 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -1.143 10.183 12.150 1.00 1.00 H new ATOM 0 HD21 LEU A 11 0.240 7.971 10.542 1.00 1.00 H new ATOM 0 HD22 LEU A 11 0.414 9.718 10.256 1.00 1.00 H new ATOM 0 HD23 LEU A 11 1.858 8.712 10.516 1.00 1.00 H new ATOM 170 N VAL A 12 4.121 10.753 10.440 1.00 1.00 N ATOM 171 CA VAL A 12 4.753 11.690 9.516 1.00 1.00 C ATOM 172 C VAL A 12 4.211 11.494 8.102 1.00 1.00 C ATOM 173 O VAL A 12 4.921 11.020 7.216 1.00 1.00 O ATOM 174 CB VAL A 12 6.268 11.480 9.516 1.00 1.00 C ATOM 175 CG1 VAL A 12 6.585 10.051 9.072 1.00 1.00 C ATOM 176 CG2 VAL A 12 6.919 12.470 8.547 1.00 1.00 C ATOM 0 H VAL A 12 4.069 9.792 10.101 1.00 1.00 H new ATOM 0 HA VAL A 12 4.526 12.705 9.844 1.00 1.00 H new ATOM 0 HB VAL A 12 6.658 11.643 10.521 1.00 1.00 H new ATOM 0 HG11 VAL A 12 7.665 9.901 9.072 1.00 1.00 H new ATOM 0 HG12 VAL A 12 6.121 9.345 9.760 1.00 1.00 H new ATOM 0 HG13 VAL A 12 6.196 9.887 8.067 1.00 1.00 H new ATOM 0 HG21 VAL A 12 7.999 12.321 8.546 1.00 1.00 H new ATOM 0 HG22 VAL A 12 6.529 12.306 7.542 1.00 1.00 H new ATOM 0 HG23 VAL A 12 6.693 13.489 8.862 1.00 1.00 H new ATOM 186 N PRO A 13 2.974 11.849 7.883 1.00 1.00 N ATOM 187 CA PRO A 13 2.319 11.710 6.553 1.00 1.00 C ATOM 188 C PRO A 13 2.701 12.842 5.601 1.00 1.00 C ATOM 189 O PRO A 13 3.318 12.609 4.562 1.00 1.00 O ATOM 190 CB PRO A 13 0.829 11.753 6.886 1.00 1.00 C ATOM 191 CG PRO A 13 0.722 12.553 8.144 1.00 1.00 C ATOM 192 CD PRO A 13 2.058 12.422 8.882 1.00 1.00 C ATOM 0 HA PRO A 13 2.621 10.798 6.037 1.00 1.00 H new ATOM 0 HB2 PRO A 13 0.260 12.214 6.079 1.00 1.00 H new ATOM 0 HB3 PRO A 13 0.429 10.749 7.025 1.00 1.00 H new ATOM 0 HG2 PRO A 13 0.509 13.598 7.918 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -0.097 12.187 8.764 1.00 1.00 H new ATOM 0 HD2 PRO A 13 2.412 13.390 9.237 1.00 1.00 H new ATOM 0 HD3 PRO A 13 1.968 11.776 9.755 1.00 1.00 H new ATOM 200 N ARG A 14 2.331 14.065 5.964 1.00 1.00 N ATOM 201 CA ARG A 14 2.640 15.222 5.133 1.00 1.00 C ATOM 202 C ARG A 14 4.131 15.270 4.813 1.00 1.00 C ATOM 203 O ARG A 14 4.931 15.762 5.609 1.00 1.00 O ATOM 204 CB ARG A 14 2.230 16.508 5.853 1.00 1.00 C ATOM 205 CG ARG A 14 2.606 17.717 4.994 1.00 1.00 C ATOM 206 CD ARG A 14 1.712 18.903 5.360 1.00 1.00 C ATOM 207 NE ARG A 14 2.428 20.157 5.155 1.00 1.00 N ATOM 208 CZ ARG A 14 3.468 20.486 5.914 1.00 1.00 C ATOM 209 NH1 ARG A 14 3.864 19.682 6.863 1.00 1.00 N ATOM 210 NH2 ARG A 14 4.094 21.615 5.711 1.00 1.00 N ATOM 0 H ARG A 14 1.821 14.280 6.821 1.00 1.00 H new ATOM 0 HA ARG A 14 2.082 15.134 4.201 1.00 1.00 H new ATOM 0 HB2 ARG A 14 1.157 16.504 6.044 1.00 1.00 H new ATOM 0 HB3 ARG A 14 2.726 16.569 6.822 1.00 1.00 H new ATOM 0 HG2 ARG A 14 3.653 17.976 5.151 1.00 1.00 H new ATOM 0 HG3 ARG A 14 2.492 17.475 3.937 1.00 1.00 H new ATOM 0 HD2 ARG A 14 0.808 18.888 4.751 1.00 1.00 H new ATOM 0 HD3 ARG A 14 1.396 18.822 6.400 1.00 1.00 H new ATOM 0 HE ARG A 14 2.125 20.792 4.417 1.00 1.00 H new ATOM 0 HH11 ARG A 14 3.375 18.801 7.022 1.00 1.00 H new ATOM 0 HH12 ARG A 14 4.662 19.935 7.445 1.00 1.00 H new ATOM 0 HH21 ARG A 14 3.784 22.244 4.970 1.00 1.00 H new ATOM 0 HH22 ARG A 14 4.892 21.867 6.294 1.00 1.00 H new ATOM 224 N GLY A 15 4.497 14.755 3.645 1.00 1.00 N ATOM 225 CA GLY A 15 5.895 14.744 3.229 1.00 1.00 C ATOM 226 C GLY A 15 6.097 13.828 2.027 1.00 1.00 C ATOM 227 O GLY A 15 6.170 14.288 0.888 1.00 1.00 O ATOM 0 H GLY A 15 3.850 14.342 2.973 1.00 1.00 H new ATOM 0 HA2 GLY A 15 6.212 15.756 2.977 1.00 1.00 H new ATOM 0 HA3 GLY A 15 6.522 14.410 4.056 1.00 1.00 H new ATOM 231 N SER A 16 6.189 12.528 2.290 1.00 1.00 N ATOM 232 CA SER A 16 6.383 11.556 1.221 1.00 1.00 C ATOM 233 C SER A 16 5.078 11.326 0.464 1.00 1.00 C ATOM 234 O SER A 16 5.050 10.615 -0.540 1.00 1.00 O ATOM 235 CB SER A 16 6.878 10.232 1.802 1.00 1.00 C ATOM 236 OG SER A 16 6.329 10.056 3.103 1.00 1.00 O ATOM 0 H SER A 16 6.133 12.126 3.226 1.00 1.00 H new ATOM 0 HA SER A 16 7.128 11.949 0.529 1.00 1.00 H new ATOM 0 HB2 SER A 16 6.584 9.405 1.156 1.00 1.00 H new ATOM 0 HB3 SER A 16 7.967 10.227 1.850 1.00 1.00 H new ATOM 0 HG SER A 16 6.643 9.207 3.478 1.00 1.00 H new ATOM 242 N GLN A 17 4.000 11.931 0.955 1.00 1.00 N ATOM 243 CA GLN A 17 2.697 11.784 0.316 1.00 1.00 C ATOM 244 C GLN A 17 2.834 11.852 -1.201 1.00 1.00 C ATOM 245 O GLN A 17 2.047 11.252 -1.933 1.00 1.00 O ATOM 246 CB GLN A 17 1.753 12.889 0.793 1.00 1.00 C ATOM 247 CG GLN A 17 0.325 12.347 0.873 1.00 1.00 C ATOM 248 CD GLN A 17 0.112 11.623 2.200 1.00 1.00 C ATOM 249 OE1 GLN A 17 1.040 11.507 3.000 1.00 1.00 O ATOM 250 NE2 GLN A 17 -1.063 11.134 2.484 1.00 1.00 N ATOM 0 H GLN A 17 4.002 12.523 1.786 1.00 1.00 H new ATOM 0 HA GLN A 17 2.287 10.812 0.590 1.00 1.00 H new ATOM 0 HB2 GLN A 17 2.069 13.254 1.770 1.00 1.00 H new ATOM 0 HB3 GLN A 17 1.793 13.736 0.108 1.00 1.00 H new ATOM 0 HG2 GLN A 17 -0.389 13.165 0.778 1.00 1.00 H new ATOM 0 HG3 GLN A 17 0.140 11.664 0.044 1.00 1.00 H new ATOM 0 HE21 GLN A 17 -1.830 11.232 1.819 1.00 1.00 H new ATOM 0 HE22 GLN A 17 -1.215 10.654 3.371 1.00 1.00 H new ATOM 259 N GLU A 18 3.841 12.586 -1.667 1.00 1.00 N ATOM 260 CA GLU A 18 4.072 12.723 -3.100 1.00 1.00 C ATOM 261 C GLU A 18 4.467 11.383 -3.707 1.00 1.00 C ATOM 262 O GLU A 18 3.739 10.823 -4.527 1.00 1.00 O ATOM 263 CB GLU A 18 5.177 13.749 -3.355 1.00 1.00 C ATOM 264 CG GLU A 18 4.831 15.059 -2.643 1.00 1.00 C ATOM 265 CD GLU A 18 3.558 15.653 -3.236 1.00 1.00 C ATOM 266 OE1 GLU A 18 3.650 16.279 -4.279 1.00 1.00 O ATOM 267 OE2 GLU A 18 2.510 15.476 -2.637 1.00 1.00 O ATOM 0 H GLU A 18 4.504 13.090 -1.078 1.00 1.00 H new ATOM 0 HA GLU A 18 3.148 13.063 -3.568 1.00 1.00 H new ATOM 0 HB2 GLU A 18 6.132 13.368 -2.994 1.00 1.00 H new ATOM 0 HB3 GLU A 18 5.287 13.922 -4.425 1.00 1.00 H new ATOM 0 HG2 GLU A 18 4.696 14.878 -1.577 1.00 1.00 H new ATOM 0 HG3 GLU A 18 5.654 15.766 -2.745 1.00 1.00 H new ATOM 274 N ILE A 19 5.621 10.869 -3.299 1.00 1.00 N ATOM 275 CA ILE A 19 6.093 9.589 -3.810 1.00 1.00 C ATOM 276 C ILE A 19 5.112 8.484 -3.443 1.00 1.00 C ATOM 277 O ILE A 19 4.948 7.513 -4.183 1.00 1.00 O ATOM 278 CB ILE A 19 7.470 9.266 -3.229 1.00 1.00 C ATOM 279 CG1 ILE A 19 8.543 10.033 -4.006 1.00 1.00 C ATOM 280 CG2 ILE A 19 7.734 7.764 -3.347 1.00 1.00 C ATOM 281 CD1 ILE A 19 8.226 11.529 -3.972 1.00 1.00 C ATOM 0 H ILE A 19 6.242 11.314 -2.623 1.00 1.00 H new ATOM 0 HA ILE A 19 6.169 9.654 -4.895 1.00 1.00 H new ATOM 0 HB ILE A 19 7.499 9.559 -2.180 1.00 1.00 H new ATOM 0 HG12 ILE A 19 9.525 9.848 -3.570 1.00 1.00 H new ATOM 0 HG13 ILE A 19 8.581 9.682 -5.037 1.00 1.00 H new ATOM 0 HG21 ILE A 19 8.716 7.533 -2.933 1.00 1.00 H new ATOM 0 HG22 ILE A 19 6.970 7.216 -2.796 1.00 1.00 H new ATOM 0 HG23 ILE A 19 7.705 7.471 -4.396 1.00 1.00 H new ATOM 0 HD11 ILE A 19 8.990 12.075 -4.525 1.00 1.00 H new ATOM 0 HD12 ILE A 19 7.252 11.705 -4.428 1.00 1.00 H new ATOM 0 HD13 ILE A 19 8.210 11.874 -2.938 1.00 1.00 H new ATOM 293 N GLU A 20 4.455 8.644 -2.300 1.00 1.00 N ATOM 294 CA GLU A 20 3.484 7.657 -1.848 1.00 1.00 C ATOM 295 C GLU A 20 2.270 7.657 -2.766 1.00 1.00 C ATOM 296 O GLU A 20 1.699 6.609 -3.055 1.00 1.00 O ATOM 297 CB GLU A 20 3.049 7.972 -0.416 1.00 1.00 C ATOM 298 CG GLU A 20 3.560 6.881 0.526 1.00 1.00 C ATOM 299 CD GLU A 20 2.828 5.572 0.252 1.00 1.00 C ATOM 300 OE1 GLU A 20 1.652 5.497 0.569 1.00 1.00 O ATOM 301 OE2 GLU A 20 3.451 4.667 -0.280 1.00 1.00 O ATOM 0 H GLU A 20 4.576 9.441 -1.675 1.00 1.00 H new ATOM 0 HA GLU A 20 3.948 6.671 -1.873 1.00 1.00 H new ATOM 0 HB2 GLU A 20 3.440 8.943 -0.111 1.00 1.00 H new ATOM 0 HB3 GLU A 20 1.962 8.035 -0.361 1.00 1.00 H new ATOM 0 HG2 GLU A 20 4.633 6.743 0.389 1.00 1.00 H new ATOM 0 HG3 GLU A 20 3.407 7.183 1.562 1.00 1.00 H new ATOM 308 N ALA A 21 1.878 8.844 -3.217 1.00 1.00 N ATOM 309 CA ALA A 21 0.727 8.970 -4.103 1.00 1.00 C ATOM 310 C ALA A 21 0.969 8.216 -5.406 1.00 1.00 C ATOM 311 O ALA A 21 0.240 7.280 -5.736 1.00 1.00 O ATOM 312 CB ALA A 21 0.453 10.441 -4.412 1.00 1.00 C ATOM 0 H ALA A 21 2.336 9.726 -2.986 1.00 1.00 H new ATOM 0 HA ALA A 21 -0.138 8.540 -3.598 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -0.409 10.519 -5.074 1.00 1.00 H new ATOM 0 HB2 ALA A 21 0.248 10.975 -3.485 1.00 1.00 H new ATOM 0 HB3 ALA A 21 1.325 10.879 -4.898 1.00 1.00 H new ATOM 318 N LYS A 22 1.991 8.636 -6.147 1.00 1.00 N ATOM 319 CA LYS A 22 2.313 7.994 -7.417 1.00 1.00 C ATOM 320 C LYS A 22 2.447 6.488 -7.244 1.00 1.00 C ATOM 321 O LYS A 22 2.044 5.720 -8.115 1.00 1.00 O ATOM 322 CB LYS A 22 3.614 8.567 -7.978 1.00 1.00 C ATOM 323 CG LYS A 22 3.459 10.073 -8.198 1.00 1.00 C ATOM 324 CD LYS A 22 3.885 10.429 -9.624 1.00 1.00 C ATOM 325 CE LYS A 22 2.876 9.857 -10.623 1.00 1.00 C ATOM 326 NZ LYS A 22 3.588 9.002 -11.614 1.00 1.00 N ATOM 0 H LYS A 22 2.605 9.410 -5.893 1.00 1.00 H new ATOM 0 HA LYS A 22 1.500 8.192 -8.115 1.00 1.00 H new ATOM 0 HB2 LYS A 22 4.436 8.373 -7.289 1.00 1.00 H new ATOM 0 HB3 LYS A 22 3.864 8.076 -8.918 1.00 1.00 H new ATOM 0 HG2 LYS A 22 2.424 10.371 -8.032 1.00 1.00 H new ATOM 0 HG3 LYS A 22 4.067 10.621 -7.478 1.00 1.00 H new ATOM 0 HD2 LYS A 22 3.948 11.511 -9.735 1.00 1.00 H new ATOM 0 HD3 LYS A 22 4.879 10.030 -9.827 1.00 1.00 H new ATOM 0 HE2 LYS A 22 2.120 9.272 -10.098 1.00 1.00 H new ATOM 0 HE3 LYS A 22 2.355 10.667 -11.133 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 2.903 8.613 -12.293 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 4.293 9.573 -12.122 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 4.066 8.222 -11.119 1.00 1.00 H new ATOM 340 N GLU A 23 3.002 6.064 -6.114 1.00 1.00 N ATOM 341 CA GLU A 23 3.166 4.643 -5.851 1.00 1.00 C ATOM 342 C GLU A 23 1.814 4.028 -5.527 1.00 1.00 C ATOM 343 O GLU A 23 1.406 3.045 -6.139 1.00 1.00 O ATOM 344 CB GLU A 23 4.124 4.433 -4.676 1.00 1.00 C ATOM 345 CG GLU A 23 5.552 4.282 -5.204 1.00 1.00 C ATOM 346 CD GLU A 23 5.737 2.900 -5.821 1.00 1.00 C ATOM 347 OE1 GLU A 23 4.780 2.144 -5.829 1.00 1.00 O ATOM 348 OE2 GLU A 23 6.834 2.618 -6.274 1.00 1.00 O ATOM 0 H GLU A 23 3.342 6.678 -5.374 1.00 1.00 H new ATOM 0 HA GLU A 23 3.582 4.162 -6.736 1.00 1.00 H new ATOM 0 HB2 GLU A 23 4.066 5.278 -3.990 1.00 1.00 H new ATOM 0 HB3 GLU A 23 3.837 3.545 -4.113 1.00 1.00 H new ATOM 0 HG2 GLU A 23 5.757 5.052 -5.948 1.00 1.00 H new ATOM 0 HG3 GLU A 23 6.266 4.425 -4.393 1.00 1.00 H new ATOM 355 N ALA A 24 1.131 4.621 -4.559 1.00 1.00 N ATOM 356 CA ALA A 24 -0.179 4.143 -4.143 1.00 1.00 C ATOM 357 C ALA A 24 -1.000 3.684 -5.343 1.00 1.00 C ATOM 358 O ALA A 24 -1.570 2.593 -5.334 1.00 1.00 O ATOM 359 CB ALA A 24 -0.923 5.257 -3.407 1.00 1.00 C ATOM 0 H ALA A 24 1.464 5.437 -4.045 1.00 1.00 H new ATOM 0 HA ALA A 24 -0.038 3.292 -3.477 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -1.904 4.896 -3.097 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -0.352 5.557 -2.528 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -1.045 6.113 -4.070 1.00 1.00 H new ATOM 365 N CYS A 25 -1.067 4.523 -6.371 1.00 1.00 N ATOM 366 CA CYS A 25 -1.830 4.185 -7.568 1.00 1.00 C ATOM 367 C CYS A 25 -1.091 3.156 -8.418 1.00 1.00 C ATOM 368 O CYS A 25 -1.712 2.289 -9.033 1.00 1.00 O ATOM 369 CB CYS A 25 -2.079 5.446 -8.398 1.00 1.00 C ATOM 370 SG CYS A 25 -1.524 5.170 -10.099 1.00 1.00 S ATOM 0 H CYS A 25 -0.607 5.433 -6.401 1.00 1.00 H new ATOM 0 HA CYS A 25 -2.781 3.756 -7.253 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -3.139 5.698 -8.387 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -1.546 6.291 -7.963 1.00 1.00 H new ATOM 0 HG CYS A 25 -1.738 6.241 -10.804 1.00 1.00 H new ATOM 376 N ASP A 26 0.234 3.253 -8.450 1.00 1.00 N ATOM 377 CA ASP A 26 1.038 2.317 -9.233 1.00 1.00 C ATOM 378 C ASP A 26 1.206 0.997 -8.486 1.00 1.00 C ATOM 379 O ASP A 26 1.679 0.010 -9.050 1.00 1.00 O ATOM 380 CB ASP A 26 2.414 2.921 -9.520 1.00 1.00 C ATOM 381 CG ASP A 26 3.011 2.297 -10.777 1.00 1.00 C ATOM 382 OD1 ASP A 26 2.732 2.801 -11.852 1.00 1.00 O ATOM 383 OD2 ASP A 26 3.749 1.334 -10.644 1.00 1.00 O ATOM 0 H ASP A 26 0.771 3.961 -7.949 1.00 1.00 H new ATOM 0 HA ASP A 26 0.522 2.126 -10.174 1.00 1.00 H new ATOM 0 HB2 ASP A 26 2.326 4.000 -9.647 1.00 1.00 H new ATOM 0 HB3 ASP A 26 3.077 2.753 -8.671 1.00 1.00 H new ATOM 388 N TRP A 27 0.818 0.989 -7.216 1.00 1.00 N ATOM 389 CA TRP A 27 0.931 -0.211 -6.396 1.00 1.00 C ATOM 390 C TRP A 27 -0.332 -1.057 -6.515 1.00 1.00 C ATOM 391 O TRP A 27 -0.262 -2.281 -6.622 1.00 1.00 O ATOM 392 CB TRP A 27 1.158 0.178 -4.934 1.00 1.00 C ATOM 393 CG TRP A 27 1.247 -1.056 -4.098 1.00 1.00 C ATOM 394 CD1 TRP A 27 2.371 -1.783 -3.900 1.00 1.00 C ATOM 395 CD2 TRP A 27 0.193 -1.721 -3.342 1.00 1.00 C ATOM 396 NE1 TRP A 27 2.074 -2.852 -3.073 1.00 1.00 N ATOM 397 CE2 TRP A 27 0.744 -2.856 -2.702 1.00 1.00 C ATOM 398 CE3 TRP A 27 -1.175 -1.452 -3.153 1.00 1.00 C ATOM 399 CZ2 TRP A 27 -0.033 -3.695 -1.901 1.00 1.00 C ATOM 400 CZ3 TRP A 27 -1.959 -2.294 -2.347 1.00 1.00 C ATOM 401 CH2 TRP A 27 -1.391 -3.412 -1.724 1.00 1.00 C ATOM 0 H TRP A 27 0.424 1.797 -6.733 1.00 1.00 H new ATOM 0 HA TRP A 27 1.780 -0.797 -6.749 1.00 1.00 H new ATOM 0 HB2 TRP A 27 2.074 0.761 -4.840 1.00 1.00 H new ATOM 0 HB3 TRP A 27 0.341 0.809 -4.584 1.00 1.00 H new ATOM 0 HD1 TRP A 27 3.342 -1.564 -4.319 1.00 1.00 H new ATOM 0 HE1 TRP A 27 2.754 -3.551 -2.774 1.00 1.00 H new ATOM 0 HE3 TRP A 27 -1.625 -0.594 -3.630 1.00 1.00 H new ATOM 0 HZ2 TRP A 27 0.411 -4.555 -1.422 1.00 1.00 H new ATOM 0 HZ3 TRP A 27 -3.008 -2.077 -2.207 1.00 1.00 H new ATOM 0 HH2 TRP A 27 -2.001 -4.055 -1.107 1.00 1.00 H new ATOM 412 N LEU A 28 -1.485 -0.397 -6.496 1.00 1.00 N ATOM 413 CA LEU A 28 -2.756 -1.102 -6.604 1.00 1.00 C ATOM 414 C LEU A 28 -2.751 -2.013 -7.828 1.00 1.00 C ATOM 415 O LEU A 28 -3.341 -3.093 -7.813 1.00 1.00 O ATOM 416 CB LEU A 28 -3.907 -0.099 -6.714 1.00 1.00 C ATOM 417 CG LEU A 28 -4.165 0.538 -5.346 1.00 1.00 C ATOM 418 CD1 LEU A 28 -4.770 1.929 -5.536 1.00 1.00 C ATOM 419 CD2 LEU A 28 -5.138 -0.332 -4.544 1.00 1.00 C ATOM 0 H LEU A 28 -1.566 0.616 -6.408 1.00 1.00 H new ATOM 0 HA LEU A 28 -2.894 -1.708 -5.709 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -3.663 0.672 -7.445 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -4.807 -0.601 -7.069 1.00 1.00 H new ATOM 0 HG LEU A 28 -3.222 0.619 -4.805 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -4.954 2.382 -4.562 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -4.078 2.553 -6.102 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -5.711 1.845 -6.080 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -5.318 0.126 -3.571 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -6.080 -0.418 -5.085 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -4.709 -1.324 -4.404 1.00 1.00 H new ATOM 431 N ARG A 29 -2.077 -1.569 -8.884 1.00 1.00 N ATOM 432 CA ARG A 29 -1.997 -2.353 -10.111 1.00 1.00 C ATOM 433 C ARG A 29 -1.028 -3.517 -9.930 1.00 1.00 C ATOM 434 O ARG A 29 -1.222 -4.593 -10.494 1.00 1.00 O ATOM 435 CB ARG A 29 -1.527 -1.471 -11.269 1.00 1.00 C ATOM 436 CG ARG A 29 -1.860 -0.008 -10.969 1.00 1.00 C ATOM 437 CD ARG A 29 -1.871 0.792 -12.271 1.00 1.00 C ATOM 438 NE ARG A 29 -3.228 0.871 -12.802 1.00 1.00 N ATOM 439 CZ ARG A 29 -3.573 1.818 -13.669 1.00 1.00 C ATOM 440 NH1 ARG A 29 -2.693 2.703 -14.053 1.00 1.00 N ATOM 441 NH2 ARG A 29 -4.790 1.865 -14.134 1.00 1.00 N ATOM 0 H ARG A 29 -1.582 -0.678 -8.915 1.00 1.00 H new ATOM 0 HA ARG A 29 -2.988 -2.745 -10.338 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -0.453 -1.587 -11.415 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -2.010 -1.782 -12.195 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -2.831 0.061 -10.479 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -1.125 0.409 -10.280 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -1.483 1.795 -12.093 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -1.214 0.321 -13.002 1.00 1.00 H new ATOM 0 HE ARG A 29 -3.924 0.188 -12.503 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -1.741 2.668 -13.688 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -2.957 3.430 -14.718 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -5.478 1.175 -13.833 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -5.054 2.592 -14.799 1.00 1.00 H new ATOM 455 N ALA A 30 0.014 -3.291 -9.135 1.00 1.00 N ATOM 456 CA ALA A 30 1.006 -4.327 -8.881 1.00 1.00 C ATOM 457 C ALA A 30 0.512 -5.281 -7.799 1.00 1.00 C ATOM 458 O ALA A 30 0.936 -6.435 -7.733 1.00 1.00 O ATOM 459 CB ALA A 30 2.327 -3.691 -8.440 1.00 1.00 C ATOM 0 H ALA A 30 0.191 -2.406 -8.660 1.00 1.00 H new ATOM 0 HA ALA A 30 1.165 -4.888 -9.802 1.00 1.00 H new ATOM 0 HB1 ALA A 30 3.063 -4.473 -8.252 1.00 1.00 H new ATOM 0 HB2 ALA A 30 2.693 -3.030 -9.226 1.00 1.00 H new ATOM 0 HB3 ALA A 30 2.167 -3.117 -7.528 1.00 1.00 H new ATOM 465 N ALA A 31 -0.387 -4.790 -6.953 1.00 1.00 N ATOM 466 CA ALA A 31 -0.936 -5.607 -5.878 1.00 1.00 C ATOM 467 C ALA A 31 -1.886 -6.658 -6.441 1.00 1.00 C ATOM 468 O ALA A 31 -1.947 -7.782 -5.943 1.00 1.00 O ATOM 469 CB ALA A 31 -1.685 -4.722 -4.879 1.00 1.00 C ATOM 0 H ALA A 31 -0.749 -3.837 -6.990 1.00 1.00 H new ATOM 0 HA ALA A 31 -0.113 -6.110 -5.370 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -2.092 -5.340 -4.079 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -0.998 -3.988 -4.457 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -2.499 -4.206 -5.389 1.00 1.00 H new ATOM 475 N GLY A 32 -2.622 -6.281 -7.484 1.00 1.00 N ATOM 476 CA GLY A 32 -3.568 -7.195 -8.116 1.00 1.00 C ATOM 477 C GLY A 32 -4.951 -6.564 -8.224 1.00 1.00 C ATOM 478 O GLY A 32 -5.946 -7.262 -8.425 1.00 1.00 O ATOM 0 H GLY A 32 -2.582 -5.354 -7.907 1.00 1.00 H new ATOM 0 HA2 GLY A 32 -3.209 -7.465 -9.109 1.00 1.00 H new ATOM 0 HA3 GLY A 32 -3.630 -8.117 -7.538 1.00 1.00 H new ATOM 482 N PHE A 33 -5.013 -5.243 -8.091 1.00 1.00 N ATOM 483 CA PHE A 33 -6.288 -4.540 -8.178 1.00 1.00 C ATOM 484 C PHE A 33 -6.131 -3.209 -8.913 1.00 1.00 C ATOM 485 O PHE A 33 -6.211 -2.140 -8.309 1.00 1.00 O ATOM 486 CB PHE A 33 -6.843 -4.295 -6.773 1.00 1.00 C ATOM 487 CG PHE A 33 -6.515 -5.476 -5.891 1.00 1.00 C ATOM 488 CD1 PHE A 33 -7.133 -6.711 -6.122 1.00 1.00 C ATOM 489 CD2 PHE A 33 -5.596 -5.337 -4.845 1.00 1.00 C ATOM 490 CE1 PHE A 33 -6.831 -7.807 -5.305 1.00 1.00 C ATOM 491 CE2 PHE A 33 -5.294 -6.434 -4.029 1.00 1.00 C ATOM 492 CZ PHE A 33 -5.911 -7.669 -4.259 1.00 1.00 C ATOM 0 H PHE A 33 -4.205 -4.643 -7.924 1.00 1.00 H new ATOM 0 HA PHE A 33 -6.984 -5.162 -8.741 1.00 1.00 H new ATOM 0 HB2 PHE A 33 -6.414 -3.384 -6.354 1.00 1.00 H new ATOM 0 HB3 PHE A 33 -7.922 -4.148 -6.817 1.00 1.00 H new ATOM 0 HD1 PHE A 33 -7.842 -6.818 -6.930 1.00 1.00 H new ATOM 0 HD2 PHE A 33 -5.120 -4.384 -4.667 1.00 1.00 H new ATOM 0 HE1 PHE A 33 -7.308 -8.760 -5.482 1.00 1.00 H new ATOM 0 HE2 PHE A 33 -4.585 -6.327 -3.222 1.00 1.00 H new ATOM 0 HZ PHE A 33 -5.677 -8.515 -3.630 1.00 1.00 H new ATOM 502 N PRO A 34 -5.916 -3.255 -10.203 1.00 1.00 N ATOM 503 CA PRO A 34 -5.753 -2.031 -11.036 1.00 1.00 C ATOM 504 C PRO A 34 -7.069 -1.274 -11.188 1.00 1.00 C ATOM 505 O PRO A 34 -7.100 -0.158 -11.709 1.00 1.00 O ATOM 506 CB PRO A 34 -5.269 -2.553 -12.398 1.00 1.00 C ATOM 507 CG PRO A 34 -5.012 -4.017 -12.230 1.00 1.00 C ATOM 508 CD PRO A 34 -5.804 -4.475 -11.009 1.00 1.00 C ATOM 0 HA PRO A 34 -5.056 -1.325 -10.584 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -6.020 -2.378 -13.169 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -4.363 -2.034 -12.712 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -5.322 -4.567 -13.119 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -3.948 -4.208 -12.092 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -6.783 -4.864 -11.288 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -5.287 -5.268 -10.469 1.00 1.00 H new ATOM 516 N GLN A 35 -8.152 -1.893 -10.732 1.00 1.00 N ATOM 517 CA GLN A 35 -9.473 -1.282 -10.821 1.00 1.00 C ATOM 518 C GLN A 35 -9.575 -0.071 -9.901 1.00 1.00 C ATOM 519 O GLN A 35 -10.233 0.915 -10.228 1.00 1.00 O ATOM 520 CB GLN A 35 -10.535 -2.310 -10.434 1.00 1.00 C ATOM 521 CG GLN A 35 -11.878 -1.613 -10.229 1.00 1.00 C ATOM 522 CD GLN A 35 -12.061 -1.250 -8.760 1.00 1.00 C ATOM 523 OE1 GLN A 35 -11.924 -0.008 -8.382 1.00 1.00 O flip ATOM 524 NE2 GLN A 35 -12.342 -2.119 -7.936 1.00 1.00 N flip ATOM 0 H GLN A 35 -8.142 -2.816 -10.298 1.00 1.00 H new ATOM 0 HA GLN A 35 -9.634 -0.950 -11.847 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -10.623 -3.067 -11.213 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -10.239 -2.826 -9.520 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -11.927 -0.714 -10.843 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -12.688 -2.265 -10.554 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -12.449 -3.089 -8.234 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -12.468 -1.870 -6.955 1.00 1.00 H new ATOM 533 N TYR A 36 -8.931 -0.153 -8.745 1.00 1.00 N ATOM 534 CA TYR A 36 -8.967 0.945 -7.786 1.00 1.00 C ATOM 535 C TYR A 36 -8.209 2.157 -8.318 1.00 1.00 C ATOM 536 O TYR A 36 -8.781 3.236 -8.467 1.00 1.00 O ATOM 537 CB TYR A 36 -8.357 0.502 -6.454 1.00 1.00 C ATOM 538 CG TYR A 36 -9.383 -0.278 -5.664 1.00 1.00 C ATOM 539 CD1 TYR A 36 -10.543 0.359 -5.208 1.00 1.00 C ATOM 540 CD2 TYR A 36 -9.176 -1.635 -5.394 1.00 1.00 C ATOM 541 CE1 TYR A 36 -11.497 -0.361 -4.481 1.00 1.00 C ATOM 542 CE2 TYR A 36 -10.131 -2.357 -4.666 1.00 1.00 C ATOM 543 CZ TYR A 36 -11.291 -1.720 -4.210 1.00 1.00 C ATOM 544 OH TYR A 36 -12.232 -2.432 -3.494 1.00 1.00 O ATOM 0 H TYR A 36 -8.382 -0.960 -8.449 1.00 1.00 H new ATOM 0 HA TYR A 36 -10.009 1.226 -7.632 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -7.475 -0.113 -6.632 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -8.029 1.372 -5.885 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -10.702 1.407 -5.417 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -8.281 -2.126 -5.746 1.00 1.00 H new ATOM 0 HE1 TYR A 36 -12.392 0.131 -4.129 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -9.972 -3.405 -4.457 1.00 1.00 H new ATOM 0 HH TYR A 36 -13.121 -2.053 -3.656 1.00 1.00 H new ATOM 554 N ALA A 37 -6.922 1.977 -8.602 1.00 1.00 N ATOM 555 CA ALA A 37 -6.099 3.068 -9.114 1.00 1.00 C ATOM 556 C ALA A 37 -6.829 3.831 -10.211 1.00 1.00 C ATOM 557 O ALA A 37 -6.855 5.061 -10.213 1.00 1.00 O ATOM 558 CB ALA A 37 -4.785 2.512 -9.670 1.00 1.00 C ATOM 0 H ALA A 37 -6.429 1.091 -8.487 1.00 1.00 H new ATOM 0 HA ALA A 37 -5.891 3.752 -8.291 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -4.175 3.331 -10.051 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -4.244 1.995 -8.877 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -4.999 1.813 -10.479 1.00 1.00 H new ATOM 564 N GLN A 38 -7.422 3.094 -11.139 1.00 1.00 N ATOM 565 CA GLN A 38 -8.152 3.711 -12.237 1.00 1.00 C ATOM 566 C GLN A 38 -8.990 4.882 -11.731 1.00 1.00 C ATOM 567 O GLN A 38 -9.268 5.825 -12.471 1.00 1.00 O ATOM 568 CB GLN A 38 -9.060 2.671 -12.894 1.00 1.00 C ATOM 569 CG GLN A 38 -8.268 1.895 -13.949 1.00 1.00 C ATOM 570 CD GLN A 38 -8.251 2.667 -15.264 1.00 1.00 C ATOM 571 OE1 GLN A 38 -7.174 3.317 -15.615 1.00 1.00 O flip ATOM 572 NE2 GLN A 38 -9.240 2.671 -15.996 1.00 1.00 N flip ATOM 0 H GLN A 38 -7.413 2.074 -11.154 1.00 1.00 H new ATOM 0 HA GLN A 38 -7.437 4.087 -12.969 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -9.451 1.987 -12.141 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -9.918 3.161 -13.355 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -7.248 1.731 -13.601 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -8.715 0.913 -14.101 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -10.080 2.163 -15.721 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -9.219 3.182 -16.878 1.00 1.00 H new ATOM 581 N LEU A 39 -9.391 4.812 -10.464 1.00 1.00 N ATOM 582 CA LEU A 39 -10.200 5.869 -9.866 1.00 1.00 C ATOM 583 C LEU A 39 -9.354 7.110 -9.587 1.00 1.00 C ATOM 584 O LEU A 39 -9.838 8.236 -9.702 1.00 1.00 O ATOM 585 CB LEU A 39 -10.824 5.371 -8.559 1.00 1.00 C ATOM 586 CG LEU A 39 -11.663 4.118 -8.825 1.00 1.00 C ATOM 587 CD1 LEU A 39 -12.239 3.604 -7.506 1.00 1.00 C ATOM 588 CD2 LEU A 39 -12.812 4.453 -9.781 1.00 1.00 C ATOM 0 H LEU A 39 -9.170 4.039 -9.836 1.00 1.00 H new ATOM 0 HA LEU A 39 -10.988 6.136 -10.570 1.00 1.00 H new ATOM 0 HB2 LEU A 39 -10.041 5.148 -7.834 1.00 1.00 H new ATOM 0 HB3 LEU A 39 -11.448 6.151 -8.124 1.00 1.00 H new ATOM 0 HG LEU A 39 -11.031 3.353 -9.276 1.00 1.00 H new ATOM 0 HD11 LEU A 39 -12.837 2.712 -7.693 1.00 1.00 H new ATOM 0 HD12 LEU A 39 -11.425 3.359 -6.824 1.00 1.00 H new ATOM 0 HD13 LEU A 39 -12.867 4.374 -7.059 1.00 1.00 H new ATOM 0 HD21 LEU A 39 -13.405 3.557 -9.966 1.00 1.00 H new ATOM 0 HD22 LEU A 39 -13.444 5.221 -9.335 1.00 1.00 H new ATOM 0 HD23 LEU A 39 -12.406 4.820 -10.724 1.00 1.00 H new ATOM 600 N TYR A 40 -8.093 6.900 -9.224 1.00 1.00 N ATOM 601 CA TYR A 40 -7.202 8.019 -8.938 1.00 1.00 C ATOM 602 C TYR A 40 -7.268 9.042 -10.063 1.00 1.00 C ATOM 603 O TYR A 40 -7.560 10.216 -9.834 1.00 1.00 O ATOM 604 CB TYR A 40 -5.763 7.522 -8.777 1.00 1.00 C ATOM 605 CG TYR A 40 -4.826 8.706 -8.700 1.00 1.00 C ATOM 606 CD1 TYR A 40 -4.930 9.611 -7.637 1.00 1.00 C ATOM 607 CD2 TYR A 40 -3.854 8.899 -9.690 1.00 1.00 C ATOM 608 CE1 TYR A 40 -4.063 10.708 -7.563 1.00 1.00 C ATOM 609 CE2 TYR A 40 -2.988 9.995 -9.616 1.00 1.00 C ATOM 610 CZ TYR A 40 -3.092 10.900 -8.553 1.00 1.00 C ATOM 611 OH TYR A 40 -2.237 11.981 -8.480 1.00 1.00 O ATOM 0 H TYR A 40 -7.669 5.978 -9.122 1.00 1.00 H new ATOM 0 HA TYR A 40 -7.522 8.489 -8.008 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -5.675 6.916 -7.875 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -5.491 6.884 -9.618 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -5.679 9.463 -6.874 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -3.773 8.201 -10.511 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -4.143 11.406 -6.743 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -2.239 10.143 -10.379 1.00 1.00 H new ATOM 0 HH TYR A 40 -1.624 11.965 -9.244 1.00 1.00 H new ATOM 621 N GLU A 41 -7.001 8.587 -11.283 1.00 1.00 N ATOM 622 CA GLU A 41 -7.038 9.469 -12.440 1.00 1.00 C ATOM 623 C GLU A 41 -8.394 10.162 -12.536 1.00 1.00 C ATOM 624 O GLU A 41 -8.506 11.248 -13.106 1.00 1.00 O ATOM 625 CB GLU A 41 -6.779 8.667 -13.716 1.00 1.00 C ATOM 626 CG GLU A 41 -5.472 7.883 -13.571 1.00 1.00 C ATOM 627 CD GLU A 41 -5.773 6.421 -13.266 1.00 1.00 C ATOM 628 OE1 GLU A 41 -6.253 5.736 -14.153 1.00 1.00 O ATOM 629 OE2 GLU A 41 -5.515 6.005 -12.148 1.00 1.00 O ATOM 0 H GLU A 41 -6.758 7.619 -11.494 1.00 1.00 H new ATOM 0 HA GLU A 41 -6.262 10.226 -12.326 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -7.607 7.983 -13.902 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -6.720 9.337 -14.574 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -4.889 7.959 -14.489 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -4.867 8.313 -12.772 1.00 1.00 H new ATOM 636 N ASP A 42 -9.420 9.528 -11.974 1.00 1.00 N ATOM 637 CA ASP A 42 -10.763 10.097 -12.003 1.00 1.00 C ATOM 638 C ASP A 42 -10.977 11.024 -10.811 1.00 1.00 C ATOM 639 O ASP A 42 -11.860 11.883 -10.832 1.00 1.00 O ATOM 640 CB ASP A 42 -11.803 8.974 -11.970 1.00 1.00 C ATOM 641 CG ASP A 42 -11.494 7.941 -13.047 1.00 1.00 C ATOM 642 OD1 ASP A 42 -10.435 8.033 -13.647 1.00 1.00 O ATOM 643 OD2 ASP A 42 -12.325 7.073 -13.262 1.00 1.00 O ATOM 0 H ASP A 42 -9.348 8.629 -11.498 1.00 1.00 H new ATOM 0 HA ASP A 42 -10.876 10.673 -12.922 1.00 1.00 H new ATOM 0 HB2 ASP A 42 -11.805 8.499 -10.989 1.00 1.00 H new ATOM 0 HB3 ASP A 42 -12.800 9.386 -12.126 1.00 1.00 H new ATOM 648 N SER A 43 -10.161 10.845 -9.773 1.00 1.00 N ATOM 649 CA SER A 43 -10.259 11.670 -8.572 1.00 1.00 C ATOM 650 C SER A 43 -11.359 11.160 -7.644 1.00 1.00 C ATOM 651 O SER A 43 -11.678 11.798 -6.639 1.00 1.00 O ATOM 652 CB SER A 43 -10.541 13.125 -8.950 1.00 1.00 C ATOM 653 OG SER A 43 -9.926 13.984 -7.998 1.00 1.00 O ATOM 0 H SER A 43 -9.427 10.138 -9.740 1.00 1.00 H new ATOM 0 HA SER A 43 -9.306 11.610 -8.047 1.00 1.00 H new ATOM 0 HB2 SER A 43 -10.157 13.335 -9.948 1.00 1.00 H new ATOM 0 HB3 SER A 43 -11.616 13.304 -8.978 1.00 1.00 H new ATOM 0 HG SER A 43 -10.103 14.918 -8.237 1.00 1.00 H new ATOM 659 N GLN A 44 -11.934 10.010 -7.980 1.00 1.00 N ATOM 660 CA GLN A 44 -12.994 9.431 -7.159 1.00 1.00 C ATOM 661 C GLN A 44 -12.394 8.561 -6.060 1.00 1.00 C ATOM 662 O GLN A 44 -13.052 7.662 -5.535 1.00 1.00 O ATOM 663 CB GLN A 44 -13.928 8.586 -8.026 1.00 1.00 C ATOM 664 CG GLN A 44 -14.452 9.433 -9.187 1.00 1.00 C ATOM 665 CD GLN A 44 -15.872 9.007 -9.545 1.00 1.00 C ATOM 666 OE1 GLN A 44 -16.809 9.794 -9.408 1.00 1.00 O ATOM 667 NE2 GLN A 44 -16.089 7.804 -10.000 1.00 1.00 N ATOM 0 H GLN A 44 -11.688 9.464 -8.806 1.00 1.00 H new ATOM 0 HA GLN A 44 -13.562 10.242 -6.703 1.00 1.00 H new ATOM 0 HB2 GLN A 44 -13.397 7.714 -8.409 1.00 1.00 H new ATOM 0 HB3 GLN A 44 -14.760 8.215 -7.428 1.00 1.00 H new ATOM 0 HG2 GLN A 44 -14.438 10.488 -8.913 1.00 1.00 H new ATOM 0 HG3 GLN A 44 -13.800 9.320 -10.053 1.00 1.00 H new ATOM 0 HE21 GLN A 44 -15.312 7.153 -10.113 1.00 1.00 H new ATOM 0 HE22 GLN A 44 -17.036 7.514 -10.243 1.00 1.00 H new ATOM 676 N PHE A 45 -11.137 8.829 -5.725 1.00 1.00 N ATOM 677 CA PHE A 45 -10.446 8.064 -4.695 1.00 1.00 C ATOM 678 C PHE A 45 -11.072 8.250 -3.322 1.00 1.00 C ATOM 679 O PHE A 45 -11.397 7.265 -2.661 1.00 1.00 O ATOM 680 CB PHE A 45 -8.971 8.456 -4.644 1.00 1.00 C ATOM 681 CG PHE A 45 -8.127 7.262 -5.025 1.00 1.00 C ATOM 682 CD1 PHE A 45 -8.300 6.663 -6.279 1.00 1.00 C ATOM 683 CD2 PHE A 45 -7.176 6.754 -4.132 1.00 1.00 C ATOM 684 CE1 PHE A 45 -7.523 5.556 -6.638 1.00 1.00 C ATOM 685 CE2 PHE A 45 -6.398 5.647 -4.493 1.00 1.00 C ATOM 686 CZ PHE A 45 -6.571 5.048 -5.746 1.00 1.00 C ATOM 0 H PHE A 45 -10.577 9.568 -6.150 1.00 1.00 H new ATOM 0 HA PHE A 45 -10.539 7.011 -4.962 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -8.779 9.285 -5.325 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -8.708 8.798 -3.643 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -9.033 7.055 -6.969 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -7.042 7.216 -3.165 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -7.658 5.093 -7.604 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -5.664 5.255 -3.804 1.00 1.00 H new ATOM 0 HZ PHE A 45 -5.971 4.195 -6.025 1.00 1.00 H new ATOM 696 N PRO A 46 -11.242 9.460 -2.852 1.00 1.00 N ATOM 697 CA PRO A 46 -11.835 9.660 -1.509 1.00 1.00 C ATOM 698 C PRO A 46 -13.285 9.199 -1.470 1.00 1.00 C ATOM 699 O PRO A 46 -14.154 9.779 -2.114 1.00 1.00 O ATOM 700 CB PRO A 46 -11.723 11.168 -1.262 1.00 1.00 C ATOM 701 CG PRO A 46 -11.493 11.799 -2.598 1.00 1.00 C ATOM 702 CD PRO A 46 -10.902 10.727 -3.515 1.00 1.00 C ATOM 0 HA PRO A 46 -11.324 9.078 -0.742 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -12.632 11.555 -0.801 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -10.901 11.390 -0.581 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -12.428 12.182 -3.008 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -10.813 12.646 -2.510 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -11.329 10.780 -4.517 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -9.824 10.844 -3.622 1.00 1.00 H new ATOM 710 N ILE A 47 -13.516 8.155 -0.683 1.00 1.00 N ATOM 711 CA ILE A 47 -14.847 7.572 -0.509 1.00 1.00 C ATOM 712 C ILE A 47 -14.806 6.575 0.642 1.00 1.00 C ATOM 713 O ILE A 47 -13.757 6.361 1.251 1.00 1.00 O ATOM 714 CB ILE A 47 -15.305 6.832 -1.782 1.00 1.00 C ATOM 715 CG1 ILE A 47 -14.152 5.988 -2.322 1.00 1.00 C ATOM 716 CG2 ILE A 47 -15.758 7.811 -2.873 1.00 1.00 C ATOM 717 CD1 ILE A 47 -14.713 4.735 -2.995 1.00 1.00 C ATOM 0 H ILE A 47 -12.787 7.686 -0.146 1.00 1.00 H new ATOM 0 HA ILE A 47 -15.549 8.380 -0.302 1.00 1.00 H new ATOM 0 HB ILE A 47 -16.151 6.199 -1.515 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -13.566 6.567 -3.036 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -13.480 5.709 -1.511 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -16.073 7.253 -3.755 1.00 1.00 H new ATOM 0 HG22 ILE A 47 -16.592 8.407 -2.503 1.00 1.00 H new ATOM 0 HG23 ILE A 47 -14.931 8.469 -3.137 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -13.892 4.131 -3.381 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -15.280 4.154 -2.267 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -15.368 5.025 -3.817 1.00 1.00 H new ATOM 729 N ASN A 48 -15.943 5.962 0.932 1.00 1.00 N ATOM 730 CA ASN A 48 -16.012 4.983 2.009 1.00 1.00 C ATOM 731 C ASN A 48 -14.961 3.893 1.808 1.00 1.00 C ATOM 732 O ASN A 48 -15.247 2.839 1.241 1.00 1.00 O ATOM 733 CB ASN A 48 -17.406 4.358 2.045 1.00 1.00 C ATOM 734 CG ASN A 48 -17.821 3.934 0.641 1.00 1.00 C ATOM 735 OD1 ASN A 48 -16.969 3.689 -0.212 1.00 1.00 O ATOM 736 ND2 ASN A 48 -19.089 3.841 0.346 1.00 1.00 N ATOM 0 H ASN A 48 -16.824 6.122 0.443 1.00 1.00 H new ATOM 0 HA ASN A 48 -15.814 5.486 2.955 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -17.410 3.495 2.711 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -18.124 5.073 2.446 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -19.375 3.565 -0.593 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -19.794 4.045 1.055 1.00 1.00 H new ATOM 743 N ILE A 49 -13.743 4.161 2.272 1.00 1.00 N ATOM 744 CA ILE A 49 -12.651 3.201 2.134 1.00 1.00 C ATOM 745 C ILE A 49 -13.041 1.841 2.705 1.00 1.00 C ATOM 746 O ILE A 49 -13.060 0.836 1.996 1.00 1.00 O ATOM 747 CB ILE A 49 -11.408 3.711 2.869 1.00 1.00 C ATOM 748 CG1 ILE A 49 -10.837 4.925 2.130 1.00 1.00 C ATOM 749 CG2 ILE A 49 -10.354 2.602 2.917 1.00 1.00 C ATOM 750 CD1 ILE A 49 -9.773 5.602 3.000 1.00 1.00 C ATOM 0 H ILE A 49 -13.488 5.029 2.744 1.00 1.00 H new ATOM 0 HA ILE A 49 -12.436 3.090 1.071 1.00 1.00 H new ATOM 0 HB ILE A 49 -11.680 4.000 3.884 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -10.401 4.614 1.181 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -11.635 5.631 1.898 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -9.469 2.964 3.440 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -10.759 1.738 3.444 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -10.083 2.313 1.901 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -9.368 6.466 2.473 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -10.223 5.928 3.938 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -8.970 4.895 3.209 1.00 1.00 H new ATOM 762 N VAL A 50 -13.336 1.818 3.996 1.00 1.00 N ATOM 763 CA VAL A 50 -13.709 0.578 4.670 1.00 1.00 C ATOM 764 C VAL A 50 -14.708 -0.234 3.848 1.00 1.00 C ATOM 765 O VAL A 50 -14.582 -1.453 3.737 1.00 1.00 O ATOM 766 CB VAL A 50 -14.318 0.897 6.035 1.00 1.00 C ATOM 767 CG1 VAL A 50 -14.775 -0.398 6.705 1.00 1.00 C ATOM 768 CG2 VAL A 50 -13.268 1.583 6.913 1.00 1.00 C ATOM 0 H VAL A 50 -13.325 2.641 4.599 1.00 1.00 H new ATOM 0 HA VAL A 50 -12.805 -0.019 4.791 1.00 1.00 H new ATOM 0 HB VAL A 50 -15.174 1.560 5.905 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -15.209 -0.170 7.678 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -15.522 -0.887 6.080 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -13.920 -1.062 6.835 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -13.701 1.811 7.887 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -12.413 0.920 7.042 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -12.942 2.507 6.436 1.00 1.00 H new ATOM 778 N ALA A 51 -15.716 0.437 3.298 1.00 1.00 N ATOM 779 CA ALA A 51 -16.741 -0.250 2.522 1.00 1.00 C ATOM 780 C ALA A 51 -16.170 -0.716 1.202 1.00 1.00 C ATOM 781 O ALA A 51 -16.712 -1.608 0.550 1.00 1.00 O ATOM 782 CB ALA A 51 -17.922 0.688 2.264 1.00 1.00 C ATOM 0 H ALA A 51 -15.844 1.446 3.374 1.00 1.00 H new ATOM 0 HA ALA A 51 -17.085 -1.115 3.089 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -18.682 0.165 1.684 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -18.348 1.007 3.215 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -17.579 1.561 1.709 1.00 1.00 H new ATOM 788 N VAL A 52 -15.072 -0.097 0.816 1.00 1.00 N ATOM 789 CA VAL A 52 -14.421 -0.437 -0.426 1.00 1.00 C ATOM 790 C VAL A 52 -13.546 -1.677 -0.231 1.00 1.00 C ATOM 791 O VAL A 52 -13.681 -2.657 -0.964 1.00 1.00 O ATOM 792 CB VAL A 52 -13.630 0.790 -0.904 1.00 1.00 C ATOM 793 CG1 VAL A 52 -12.169 0.453 -1.191 1.00 1.00 C ATOM 794 CG2 VAL A 52 -14.289 1.349 -2.159 1.00 1.00 C ATOM 0 H VAL A 52 -14.614 0.644 1.347 1.00 1.00 H new ATOM 0 HA VAL A 52 -15.146 -0.693 -1.199 1.00 1.00 H new ATOM 0 HB VAL A 52 -13.641 1.533 -0.107 1.00 1.00 H new ATOM 0 HG11 VAL A 52 -11.648 1.350 -1.526 1.00 1.00 H new ATOM 0 HG12 VAL A 52 -11.697 0.077 -0.283 1.00 1.00 H new ATOM 0 HG13 VAL A 52 -12.117 -0.309 -1.969 1.00 1.00 H new ATOM 0 HG21 VAL A 52 -13.733 2.221 -2.504 1.00 1.00 H new ATOM 0 HG22 VAL A 52 -14.291 0.587 -2.939 1.00 1.00 H new ATOM 0 HG23 VAL A 52 -15.315 1.639 -1.933 1.00 1.00 H new ATOM 804 N LYS A 53 -12.663 -1.640 0.761 1.00 1.00 N ATOM 805 CA LYS A 53 -11.798 -2.783 1.033 1.00 1.00 C ATOM 806 C LYS A 53 -12.634 -4.053 1.114 1.00 1.00 C ATOM 807 O LYS A 53 -12.135 -5.159 0.912 1.00 1.00 O ATOM 808 CB LYS A 53 -11.051 -2.577 2.353 1.00 1.00 C ATOM 809 CG LYS A 53 -10.666 -1.104 2.501 1.00 1.00 C ATOM 810 CD LYS A 53 -9.398 -0.987 3.347 1.00 1.00 C ATOM 811 CE LYS A 53 -9.644 -1.598 4.728 1.00 1.00 C ATOM 812 NZ LYS A 53 -9.072 -2.975 4.771 1.00 1.00 N ATOM 0 H LYS A 53 -12.528 -0.843 1.383 1.00 1.00 H new ATOM 0 HA LYS A 53 -11.073 -2.876 0.224 1.00 1.00 H new ATOM 0 HB2 LYS A 53 -11.678 -2.885 3.189 1.00 1.00 H new ATOM 0 HB3 LYS A 53 -10.158 -3.201 2.378 1.00 1.00 H new ATOM 0 HG2 LYS A 53 -10.502 -0.660 1.519 1.00 1.00 H new ATOM 0 HG3 LYS A 53 -11.480 -0.550 2.969 1.00 1.00 H new ATOM 0 HD2 LYS A 53 -8.571 -1.498 2.854 1.00 1.00 H new ATOM 0 HD3 LYS A 53 -9.111 0.060 3.447 1.00 1.00 H new ATOM 0 HE2 LYS A 53 -9.186 -0.978 5.499 1.00 1.00 H new ATOM 0 HE3 LYS A 53 -10.713 -1.630 4.938 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 -8.679 -3.158 5.716 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 -9.820 -3.668 4.566 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 -8.317 -3.060 4.060 1.00 1.00 H new ATOM 826 N ASN A 54 -13.916 -3.871 1.403 1.00 1.00 N ATOM 827 CA ASN A 54 -14.843 -4.994 1.501 1.00 1.00 C ATOM 828 C ASN A 54 -15.571 -5.196 0.178 1.00 1.00 C ATOM 829 O ASN A 54 -15.801 -6.325 -0.254 1.00 1.00 O ATOM 830 CB ASN A 54 -15.856 -4.737 2.619 1.00 1.00 C ATOM 831 CG ASN A 54 -15.141 -4.710 3.966 1.00 1.00 C ATOM 832 OD1 ASN A 54 -14.170 -3.861 4.162 1.00 1.00 O flip ATOM 833 ND2 ASN A 54 -15.469 -5.491 4.860 1.00 1.00 N flip ATOM 0 H ASN A 54 -14.338 -2.958 1.574 1.00 1.00 H new ATOM 0 HA ASN A 54 -14.277 -5.897 1.731 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -16.367 -3.789 2.449 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -16.619 -5.515 2.617 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -16.228 -6.154 4.705 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -14.981 -5.475 5.756 1.00 1.00 H new ATOM 840 N ASP A 55 -15.938 -4.087 -0.454 1.00 1.00 N ATOM 841 CA ASP A 55 -16.651 -4.133 -1.726 1.00 1.00 C ATOM 842 C ASP A 55 -16.065 -5.199 -2.648 1.00 1.00 C ATOM 843 O ASP A 55 -16.716 -6.203 -2.937 1.00 1.00 O ATOM 844 CB ASP A 55 -16.574 -2.767 -2.410 1.00 1.00 C ATOM 845 CG ASP A 55 -17.356 -2.791 -3.720 1.00 1.00 C ATOM 846 OD1 ASP A 55 -16.950 -3.509 -4.619 1.00 1.00 O ATOM 847 OD2 ASP A 55 -18.345 -2.080 -3.807 1.00 1.00 O ATOM 0 H ASP A 55 -15.754 -3.146 -0.107 1.00 1.00 H new ATOM 0 HA ASP A 55 -17.691 -4.388 -1.524 1.00 1.00 H new ATOM 0 HB2 ASP A 55 -16.977 -1.998 -1.751 1.00 1.00 H new ATOM 0 HB3 ASP A 55 -15.533 -2.507 -2.604 1.00 1.00 H new ATOM 852 N HIS A 56 -14.839 -4.968 -3.115 1.00 1.00 N ATOM 853 CA HIS A 56 -14.180 -5.911 -4.017 1.00 1.00 C ATOM 854 C HIS A 56 -12.997 -6.591 -3.335 1.00 1.00 C ATOM 855 O HIS A 56 -12.990 -7.807 -3.155 1.00 1.00 O ATOM 856 CB HIS A 56 -13.695 -5.177 -5.268 1.00 1.00 C ATOM 857 CG HIS A 56 -12.473 -5.867 -5.812 1.00 1.00 C ATOM 858 ND1 HIS A 56 -12.356 -7.248 -5.847 1.00 1.00 N ATOM 859 CD2 HIS A 56 -11.305 -5.379 -6.345 1.00 1.00 C ATOM 860 CE1 HIS A 56 -11.158 -7.540 -6.383 1.00 1.00 C ATOM 861 NE2 HIS A 56 -10.476 -6.439 -6.704 1.00 1.00 N ATOM 0 H HIS A 56 -14.285 -4.142 -2.886 1.00 1.00 H new ATOM 0 HA HIS A 56 -14.904 -6.677 -4.295 1.00 1.00 H new ATOM 0 HB2 HIS A 56 -14.482 -5.161 -6.022 1.00 1.00 H new ATOM 0 HB3 HIS A 56 -13.463 -4.140 -5.027 1.00 1.00 H new ATOM 0 HD1 HIS A 56 -13.052 -7.920 -5.525 1.00 1.00 H new ATOM 0 HD2 HIS A 56 -11.066 -4.333 -6.467 1.00 1.00 H new ATOM 0 HE1 HIS A 56 -10.792 -8.545 -6.535 1.00 1.00 H new ATOM 869 N ASP A 57 -11.994 -5.798 -2.970 1.00 1.00 N ATOM 870 CA ASP A 57 -10.800 -6.331 -2.319 1.00 1.00 C ATOM 871 C ASP A 57 -11.160 -7.436 -1.329 1.00 1.00 C ATOM 872 O ASP A 57 -11.625 -7.169 -0.222 1.00 1.00 O ATOM 873 CB ASP A 57 -10.060 -5.210 -1.588 1.00 1.00 C ATOM 874 CG ASP A 57 -8.559 -5.331 -1.829 1.00 1.00 C ATOM 875 OD1 ASP A 57 -8.169 -5.436 -2.979 1.00 1.00 O ATOM 876 OD2 ASP A 57 -7.822 -5.310 -0.857 1.00 1.00 O ATOM 0 H ASP A 57 -11.983 -4.788 -3.113 1.00 1.00 H new ATOM 0 HA ASP A 57 -10.156 -6.754 -3.089 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -10.416 -4.241 -1.937 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -10.270 -5.261 -0.520 1.00 1.00 H new ATOM 881 N PHE A 58 -10.933 -8.681 -1.739 1.00 1.00 N ATOM 882 CA PHE A 58 -11.228 -9.825 -0.882 1.00 1.00 C ATOM 883 C PHE A 58 -10.157 -10.900 -1.042 1.00 1.00 C ATOM 884 O PHE A 58 -10.259 -11.984 -0.466 1.00 1.00 O ATOM 885 CB PHE A 58 -12.593 -10.414 -1.240 1.00 1.00 C ATOM 886 CG PHE A 58 -13.531 -10.260 -0.066 1.00 1.00 C ATOM 887 CD1 PHE A 58 -14.158 -9.030 0.171 1.00 1.00 C ATOM 888 CD2 PHE A 58 -13.774 -11.345 0.783 1.00 1.00 C ATOM 889 CE1 PHE A 58 -15.028 -8.887 1.258 1.00 1.00 C ATOM 890 CE2 PHE A 58 -14.644 -11.201 1.870 1.00 1.00 C ATOM 891 CZ PHE A 58 -15.271 -9.973 2.109 1.00 1.00 C ATOM 0 H PHE A 58 -10.549 -8.922 -2.652 1.00 1.00 H new ATOM 0 HA PHE A 58 -11.241 -9.483 0.153 1.00 1.00 H new ATOM 0 HB2 PHE A 58 -13.002 -9.908 -2.115 1.00 1.00 H new ATOM 0 HB3 PHE A 58 -12.490 -11.467 -1.501 1.00 1.00 H new ATOM 0 HD1 PHE A 58 -13.970 -8.193 -0.485 1.00 1.00 H new ATOM 0 HD2 PHE A 58 -13.291 -12.293 0.600 1.00 1.00 H new ATOM 0 HE1 PHE A 58 -15.512 -7.939 1.441 1.00 1.00 H new ATOM 0 HE2 PHE A 58 -14.832 -12.039 2.525 1.00 1.00 H new ATOM 0 HZ PHE A 58 -15.941 -9.863 2.948 1.00 1.00 H new ATOM 901 N LEU A 59 -9.132 -10.592 -1.830 1.00 1.00 N ATOM 902 CA LEU A 59 -8.049 -11.539 -2.062 1.00 1.00 C ATOM 903 C LEU A 59 -6.909 -11.309 -1.075 1.00 1.00 C ATOM 904 O LEU A 59 -6.301 -10.239 -1.055 1.00 1.00 O ATOM 905 CB LEU A 59 -7.525 -11.390 -3.493 1.00 1.00 C ATOM 906 CG LEU A 59 -6.592 -12.556 -3.822 1.00 1.00 C ATOM 907 CD1 LEU A 59 -7.299 -13.520 -4.775 1.00 1.00 C ATOM 908 CD2 LEU A 59 -5.324 -12.019 -4.488 1.00 1.00 C ATOM 0 H LEU A 59 -9.029 -9.701 -2.315 1.00 1.00 H new ATOM 0 HA LEU A 59 -8.438 -12.547 -1.918 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -8.358 -11.368 -4.196 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -6.993 -10.444 -3.600 1.00 1.00 H new ATOM 0 HG LEU A 59 -6.327 -13.081 -2.904 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -6.635 -14.352 -5.010 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -8.204 -13.901 -4.302 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -7.563 -12.996 -5.693 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -4.657 -12.849 -4.723 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -5.589 -11.495 -5.406 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -4.820 -11.330 -3.810 1.00 1.00 H new ATOM 920 N GLU A 60 -6.622 -12.325 -0.264 1.00 1.00 N ATOM 921 CA GLU A 60 -5.552 -12.238 0.726 1.00 1.00 C ATOM 922 C GLU A 60 -5.784 -11.072 1.682 1.00 1.00 C ATOM 923 O GLU A 60 -5.994 -9.936 1.257 1.00 1.00 O ATOM 924 CB GLU A 60 -4.200 -12.066 0.029 1.00 1.00 C ATOM 925 CG GLU A 60 -3.578 -13.439 -0.229 1.00 1.00 C ATOM 926 CD GLU A 60 -2.266 -13.281 -0.992 1.00 1.00 C ATOM 927 OE1 GLU A 60 -1.269 -12.976 -0.358 1.00 1.00 O ATOM 928 OE2 GLU A 60 -2.279 -13.463 -2.198 1.00 1.00 O ATOM 0 H GLU A 60 -7.116 -13.218 -0.273 1.00 1.00 H new ATOM 0 HA GLU A 60 -5.550 -13.164 1.300 1.00 1.00 H new ATOM 0 HB2 GLU A 60 -4.330 -11.532 -0.912 1.00 1.00 H new ATOM 0 HB3 GLU A 60 -3.534 -11.464 0.648 1.00 1.00 H new ATOM 0 HG2 GLU A 60 -3.399 -13.950 0.717 1.00 1.00 H new ATOM 0 HG3 GLU A 60 -4.269 -14.059 -0.801 1.00 1.00 H new ATOM 935 N LYS A 61 -5.740 -11.361 2.978 1.00 1.00 N ATOM 936 CA LYS A 61 -5.942 -10.327 3.988 1.00 1.00 C ATOM 937 C LYS A 61 -4.730 -9.406 4.053 1.00 1.00 C ATOM 938 O LYS A 61 -4.850 -8.227 4.388 1.00 1.00 O ATOM 939 CB LYS A 61 -6.175 -10.969 5.358 1.00 1.00 C ATOM 940 CG LYS A 61 -6.727 -9.922 6.326 1.00 1.00 C ATOM 941 CD LYS A 61 -8.256 -9.913 6.253 1.00 1.00 C ATOM 942 CE LYS A 61 -8.781 -8.549 6.705 1.00 1.00 C ATOM 943 NZ LYS A 61 -8.544 -7.546 5.628 1.00 1.00 N ATOM 0 H LYS A 61 -5.568 -12.294 3.352 1.00 1.00 H new ATOM 0 HA LYS A 61 -6.818 -9.740 3.713 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -6.874 -11.800 5.267 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -5.241 -11.379 5.743 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -6.402 -10.144 7.342 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -6.335 -8.937 6.075 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -8.583 -10.121 5.234 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -8.665 -10.700 6.886 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -9.846 -8.613 6.930 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -8.280 -8.240 7.622 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -9.210 -6.755 5.738 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -7.569 -7.190 5.694 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -8.687 -7.993 4.700 1.00 1.00 H new ATOM 957 N ASP A 62 -3.561 -9.948 3.725 1.00 1.00 N ATOM 958 CA ASP A 62 -2.334 -9.162 3.744 1.00 1.00 C ATOM 959 C ASP A 62 -2.354 -8.128 2.625 1.00 1.00 C ATOM 960 O ASP A 62 -1.563 -7.184 2.623 1.00 1.00 O ATOM 961 CB ASP A 62 -1.121 -10.078 3.572 1.00 1.00 C ATOM 962 CG ASP A 62 -0.276 -9.606 2.393 1.00 1.00 C ATOM 963 OD1 ASP A 62 0.567 -8.749 2.599 1.00 1.00 O ATOM 964 OD2 ASP A 62 -0.490 -10.102 1.300 1.00 1.00 O ATOM 0 H ASP A 62 -3.439 -10.921 3.445 1.00 1.00 H new ATOM 0 HA ASP A 62 -2.265 -8.649 4.703 1.00 1.00 H new ATOM 0 HB2 ASP A 62 -0.522 -10.078 4.483 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -1.450 -11.104 3.407 1.00 1.00 H new ATOM 969 N LEU A 63 -3.264 -8.314 1.676 1.00 1.00 N ATOM 970 CA LEU A 63 -3.386 -7.394 0.553 1.00 1.00 C ATOM 971 C LEU A 63 -4.498 -6.382 0.813 1.00 1.00 C ATOM 972 O LEU A 63 -4.627 -5.388 0.099 1.00 1.00 O ATOM 973 CB LEU A 63 -3.685 -8.174 -0.729 1.00 1.00 C ATOM 974 CG LEU A 63 -2.409 -8.292 -1.568 1.00 1.00 C ATOM 975 CD1 LEU A 63 -2.598 -9.368 -2.639 1.00 1.00 C ATOM 976 CD2 LEU A 63 -2.111 -6.950 -2.245 1.00 1.00 C ATOM 0 H LEU A 63 -3.925 -9.090 1.662 1.00 1.00 H new ATOM 0 HA LEU A 63 -2.444 -6.858 0.437 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -4.064 -9.166 -0.483 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -4.463 -7.669 -1.301 1.00 1.00 H new ATOM 0 HG LEU A 63 -1.577 -8.564 -0.919 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.689 -9.451 -3.235 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -2.807 -10.325 -2.161 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -3.433 -9.096 -3.285 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -1.203 -7.037 -2.841 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -2.945 -6.676 -2.892 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.974 -6.181 -1.484 1.00 1.00 H new ATOM 988 N VAL A 64 -5.294 -6.644 1.844 1.00 1.00 N ATOM 989 CA VAL A 64 -6.389 -5.748 2.198 1.00 1.00 C ATOM 990 C VAL A 64 -5.886 -4.620 3.091 1.00 1.00 C ATOM 991 O VAL A 64 -6.320 -3.475 2.968 1.00 1.00 O ATOM 992 CB VAL A 64 -7.488 -6.526 2.925 1.00 1.00 C ATOM 993 CG1 VAL A 64 -8.366 -5.552 3.711 1.00 1.00 C ATOM 994 CG2 VAL A 64 -8.347 -7.271 1.901 1.00 1.00 C ATOM 0 H VAL A 64 -5.203 -7.463 2.445 1.00 1.00 H new ATOM 0 HA VAL A 64 -6.795 -5.320 1.282 1.00 1.00 H new ATOM 0 HB VAL A 64 -7.034 -7.242 3.610 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -9.149 -6.105 4.229 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -7.756 -5.019 4.440 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -8.820 -4.837 3.025 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -9.130 -7.826 2.418 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -8.801 -6.554 1.217 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -7.722 -7.965 1.338 1.00 1.00 H new ATOM 1004 N GLU A 65 -4.963 -4.954 3.988 1.00 1.00 N ATOM 1005 CA GLU A 65 -4.399 -3.960 4.895 1.00 1.00 C ATOM 1006 C GLU A 65 -3.703 -2.844 4.115 1.00 1.00 C ATOM 1007 O GLU A 65 -4.133 -1.692 4.165 1.00 1.00 O ATOM 1008 CB GLU A 65 -3.408 -4.623 5.856 1.00 1.00 C ATOM 1009 CG GLU A 65 -4.078 -4.836 7.215 1.00 1.00 C ATOM 1010 CD GLU A 65 -4.165 -3.509 7.960 1.00 1.00 C ATOM 1011 OE1 GLU A 65 -5.134 -2.797 7.754 1.00 1.00 O ATOM 1012 OE2 GLU A 65 -3.254 -3.217 8.718 1.00 1.00 O ATOM 0 H GLU A 65 -4.592 -5.897 4.106 1.00 1.00 H new ATOM 0 HA GLU A 65 -5.215 -3.522 5.470 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -3.075 -5.578 5.450 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -2.522 -3.998 5.970 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -5.076 -5.253 7.078 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -3.509 -5.557 7.802 1.00 1.00 H new ATOM 1019 N PRO A 66 -2.646 -3.151 3.397 1.00 1.00 N ATOM 1020 CA PRO A 66 -1.906 -2.128 2.604 1.00 1.00 C ATOM 1021 C PRO A 66 -2.835 -1.345 1.680 1.00 1.00 C ATOM 1022 O PRO A 66 -2.577 -0.183 1.367 1.00 1.00 O ATOM 1023 CB PRO A 66 -0.877 -2.932 1.795 1.00 1.00 C ATOM 1024 CG PRO A 66 -1.232 -4.373 1.970 1.00 1.00 C ATOM 1025 CD PRO A 66 -2.040 -4.483 3.259 1.00 1.00 C ATOM 0 HA PRO A 66 -1.440 -1.382 3.247 1.00 1.00 H new ATOM 0 HB2 PRO A 66 -0.906 -2.651 0.742 1.00 1.00 H new ATOM 0 HB3 PRO A 66 0.135 -2.736 2.150 1.00 1.00 H new ATOM 0 HG2 PRO A 66 -1.812 -4.733 1.120 1.00 1.00 H new ATOM 0 HG3 PRO A 66 -0.333 -4.987 2.025 1.00 1.00 H new ATOM 0 HD2 PRO A 66 -2.797 -5.264 3.193 1.00 1.00 H new ATOM 0 HD3 PRO A 66 -1.405 -4.726 4.111 1.00 1.00 H new ATOM 1033 N LEU A 67 -3.919 -1.985 1.255 1.00 1.00 N ATOM 1034 CA LEU A 67 -4.882 -1.333 0.374 1.00 1.00 C ATOM 1035 C LEU A 67 -5.499 -0.127 1.075 1.00 1.00 C ATOM 1036 O LEU A 67 -5.821 0.876 0.438 1.00 1.00 O ATOM 1037 CB LEU A 67 -5.984 -2.319 -0.020 1.00 1.00 C ATOM 1038 CG LEU A 67 -6.843 -1.715 -1.133 1.00 1.00 C ATOM 1039 CD1 LEU A 67 -6.487 -2.373 -2.467 1.00 1.00 C ATOM 1040 CD2 LEU A 67 -8.321 -1.961 -0.823 1.00 1.00 C ATOM 0 H LEU A 67 -4.152 -2.946 1.503 1.00 1.00 H new ATOM 0 HA LEU A 67 -4.364 -0.998 -0.525 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -5.543 -3.257 -0.357 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -6.604 -2.551 0.846 1.00 1.00 H new ATOM 0 HG LEU A 67 -6.656 -0.643 -1.196 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -7.099 -1.943 -3.260 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -5.434 -2.201 -2.688 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -6.674 -3.445 -2.405 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -8.935 -1.532 -1.615 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -8.506 -3.033 -0.761 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -8.576 -1.494 0.128 1.00 1.00 H new ATOM 1052 N CYS A 68 -5.658 -0.232 2.391 1.00 1.00 N ATOM 1053 CA CYS A 68 -6.233 0.857 3.168 1.00 1.00 C ATOM 1054 C CYS A 68 -5.216 1.979 3.345 1.00 1.00 C ATOM 1055 O CYS A 68 -5.577 3.118 3.638 1.00 1.00 O ATOM 1056 CB CYS A 68 -6.677 0.343 4.539 1.00 1.00 C ATOM 1057 SG CYS A 68 -5.270 0.369 5.678 1.00 1.00 S ATOM 0 H CYS A 68 -5.399 -1.054 2.937 1.00 1.00 H new ATOM 0 HA CYS A 68 -7.098 1.247 2.632 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -7.485 0.963 4.928 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -7.068 -0.671 4.450 1.00 1.00 H new ATOM 0 HG CYS A 68 -4.474 -0.622 5.407 1.00 1.00 H new ATOM 1063 N ARG A 69 -3.941 1.648 3.163 1.00 1.00 N ATOM 1064 CA ARG A 69 -2.879 2.639 3.303 1.00 1.00 C ATOM 1065 C ARG A 69 -2.813 3.520 2.061 1.00 1.00 C ATOM 1066 O ARG A 69 -2.879 4.745 2.153 1.00 1.00 O ATOM 1067 CB ARG A 69 -1.529 1.937 3.504 1.00 1.00 C ATOM 1068 CG ARG A 69 -1.036 2.113 4.943 1.00 1.00 C ATOM 1069 CD ARG A 69 -1.919 1.304 5.889 1.00 1.00 C ATOM 1070 NE ARG A 69 -1.920 -0.101 5.502 1.00 1.00 N ATOM 1071 CZ ARG A 69 -0.968 -0.930 5.919 1.00 1.00 C ATOM 1072 NH1 ARG A 69 -0.005 -0.487 6.681 1.00 1.00 N ATOM 1073 NH2 ARG A 69 -0.996 -2.187 5.567 1.00 1.00 N ATOM 0 H ARG A 69 -3.620 0.711 2.921 1.00 1.00 H new ATOM 0 HA ARG A 69 -3.096 3.261 4.171 1.00 1.00 H new ATOM 0 HB2 ARG A 69 -1.628 0.876 3.275 1.00 1.00 H new ATOM 0 HB3 ARG A 69 -0.794 2.345 2.810 1.00 1.00 H new ATOM 0 HG2 ARG A 69 -0.000 1.784 5.026 1.00 1.00 H new ATOM 0 HG3 ARG A 69 -1.059 3.167 5.220 1.00 1.00 H new ATOM 0 HD2 ARG A 69 -1.557 1.406 6.912 1.00 1.00 H new ATOM 0 HD3 ARG A 69 -2.937 1.694 5.870 1.00 1.00 H new ATOM 0 HE ARG A 69 -2.664 -0.455 4.901 1.00 1.00 H new ATOM 0 HH11 ARG A 69 0.017 0.495 6.956 1.00 1.00 H new ATOM 0 HH12 ARG A 69 0.726 -1.123 7.001 1.00 1.00 H new ATOM 0 HH21 ARG A 69 -1.748 -2.533 4.972 1.00 1.00 H new ATOM 0 HH22 ARG A 69 -0.265 -2.823 5.887 1.00 1.00 H new ATOM 1087 N ARG A 70 -2.691 2.889 0.897 1.00 1.00 N ATOM 1088 CA ARG A 70 -2.624 3.632 -0.355 1.00 1.00 C ATOM 1089 C ARG A 70 -3.894 4.453 -0.550 1.00 1.00 C ATOM 1090 O ARG A 70 -3.834 5.664 -0.763 1.00 1.00 O ATOM 1091 CB ARG A 70 -2.448 2.669 -1.536 1.00 1.00 C ATOM 1092 CG ARG A 70 -1.336 1.655 -1.238 1.00 1.00 C ATOM 1093 CD ARG A 70 -0.120 2.355 -0.624 1.00 1.00 C ATOM 1094 NE ARG A 70 1.039 1.472 -0.668 1.00 1.00 N ATOM 1095 CZ ARG A 70 2.118 1.714 0.071 1.00 1.00 C ATOM 1096 NH1 ARG A 70 2.151 2.759 0.852 1.00 1.00 N ATOM 1097 NH2 ARG A 70 3.141 0.906 0.016 1.00 1.00 N ATOM 0 H ARG A 70 -2.637 1.876 0.795 1.00 1.00 H new ATOM 0 HA ARG A 70 -1.767 4.304 -0.312 1.00 1.00 H new ATOM 0 HB2 ARG A 70 -3.384 2.145 -1.729 1.00 1.00 H new ATOM 0 HB3 ARG A 70 -2.205 3.230 -2.438 1.00 1.00 H new ATOM 0 HG2 ARG A 70 -1.706 0.891 -0.554 1.00 1.00 H new ATOM 0 HG3 ARG A 70 -1.044 1.146 -2.157 1.00 1.00 H new ATOM 0 HD2 ARG A 70 0.093 3.275 -1.168 1.00 1.00 H new ATOM 0 HD3 ARG A 70 -0.334 2.636 0.407 1.00 1.00 H new ATOM 0 HE ARG A 70 1.022 0.654 -1.277 1.00 1.00 H new ATOM 0 HH11 ARG A 70 1.350 3.389 0.895 1.00 1.00 H new ATOM 0 HH12 ARG A 70 2.978 2.946 1.419 1.00 1.00 H new ATOM 0 HH21 ARG A 70 3.113 0.089 -0.594 1.00 1.00 H new ATOM 0 HH22 ARG A 70 3.969 1.092 0.583 1.00 1.00 H new ATOM 1111 N LEU A 71 -5.042 3.791 -0.470 1.00 1.00 N ATOM 1112 CA LEU A 71 -6.313 4.483 -0.635 1.00 1.00 C ATOM 1113 C LEU A 71 -6.395 5.663 0.325 1.00 1.00 C ATOM 1114 O LEU A 71 -6.676 6.788 -0.084 1.00 1.00 O ATOM 1115 CB LEU A 71 -7.474 3.520 -0.377 1.00 1.00 C ATOM 1116 CG LEU A 71 -7.506 2.441 -1.467 1.00 1.00 C ATOM 1117 CD1 LEU A 71 -8.568 1.401 -1.118 1.00 1.00 C ATOM 1118 CD2 LEU A 71 -7.841 3.066 -2.829 1.00 1.00 C ATOM 0 H LEU A 71 -5.119 2.789 -0.294 1.00 1.00 H new ATOM 0 HA LEU A 71 -6.380 4.853 -1.658 1.00 1.00 H new ATOM 0 HB2 LEU A 71 -7.363 3.056 0.603 1.00 1.00 H new ATOM 0 HB3 LEU A 71 -8.417 4.067 -0.366 1.00 1.00 H new ATOM 0 HG LEU A 71 -6.525 1.969 -1.524 1.00 1.00 H new ATOM 0 HD11 LEU A 71 -8.593 0.633 -1.891 1.00 1.00 H new ATOM 0 HD12 LEU A 71 -8.327 0.943 -0.159 1.00 1.00 H new ATOM 0 HD13 LEU A 71 -9.543 1.884 -1.055 1.00 1.00 H new ATOM 0 HD21 LEU A 71 -7.860 2.288 -3.592 1.00 1.00 H new ATOM 0 HD22 LEU A 71 -8.817 3.548 -2.778 1.00 1.00 H new ATOM 0 HD23 LEU A 71 -7.084 3.807 -3.085 1.00 1.00 H new ATOM 1130 N ASN A 72 -6.139 5.402 1.602 1.00 1.00 N ATOM 1131 CA ASN A 72 -6.182 6.456 2.607 1.00 1.00 C ATOM 1132 C ASN A 72 -5.154 7.540 2.295 1.00 1.00 C ATOM 1133 O ASN A 72 -5.353 8.709 2.623 1.00 1.00 O ATOM 1134 CB ASN A 72 -5.905 5.869 3.993 1.00 1.00 C ATOM 1135 CG ASN A 72 -5.942 6.975 5.042 1.00 1.00 C ATOM 1136 OD1 ASN A 72 -6.934 7.693 5.155 1.00 1.00 O ATOM 1137 ND2 ASN A 72 -4.910 7.158 5.821 1.00 1.00 N ATOM 0 H ASN A 72 -5.902 4.478 1.963 1.00 1.00 H new ATOM 0 HA ASN A 72 -7.176 6.902 2.594 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -6.647 5.107 4.230 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.931 5.380 4.002 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -4.926 7.897 6.524 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -4.088 6.562 5.727 1.00 1.00 H new ATOM 1144 N THR A 73 -4.054 7.144 1.660 1.00 1.00 N ATOM 1145 CA THR A 73 -3.005 8.097 1.311 1.00 1.00 C ATOM 1146 C THR A 73 -3.454 8.992 0.161 1.00 1.00 C ATOM 1147 O THR A 73 -3.497 10.215 0.296 1.00 1.00 O ATOM 1148 CB THR A 73 -1.728 7.354 0.911 1.00 1.00 C ATOM 1149 OG1 THR A 73 -1.320 6.507 1.975 1.00 1.00 O ATOM 1150 CG2 THR A 73 -0.619 8.367 0.615 1.00 1.00 C ATOM 0 H THR A 73 -3.867 6.181 1.379 1.00 1.00 H new ATOM 0 HA THR A 73 -2.804 8.717 2.184 1.00 1.00 H new ATOM 0 HB THR A 73 -1.921 6.755 0.021 1.00 1.00 H new ATOM 0 HG1 THR A 73 -1.729 5.623 1.865 1.00 1.00 H new ATOM 0 HG21 THR A 73 0.290 7.838 0.330 1.00 1.00 H new ATOM 0 HG22 THR A 73 -0.930 9.019 -0.201 1.00 1.00 H new ATOM 0 HG23 THR A 73 -0.427 8.966 1.505 1.00 1.00 H new ATOM 1158 N LEU A 74 -3.785 8.376 -0.969 1.00 1.00 N ATOM 1159 CA LEU A 74 -4.228 9.136 -2.133 1.00 1.00 C ATOM 1160 C LEU A 74 -5.512 9.895 -1.819 1.00 1.00 C ATOM 1161 O LEU A 74 -5.665 11.054 -2.197 1.00 1.00 O ATOM 1162 CB LEU A 74 -4.465 8.195 -3.321 1.00 1.00 C ATOM 1163 CG LEU A 74 -3.205 8.115 -4.194 1.00 1.00 C ATOM 1164 CD1 LEU A 74 -3.400 7.050 -5.275 1.00 1.00 C ATOM 1165 CD2 LEU A 74 -2.938 9.467 -4.868 1.00 1.00 C ATOM 0 H LEU A 74 -3.756 7.365 -1.104 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.448 9.852 -2.391 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -4.730 7.201 -2.960 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -5.306 8.553 -3.915 1.00 1.00 H new ATOM 0 HG LEU A 74 -2.356 7.855 -3.561 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -2.505 6.993 -5.895 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -3.578 6.083 -4.805 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -4.256 7.314 -5.896 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -2.042 9.396 -5.484 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -3.788 9.735 -5.495 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -2.794 10.232 -4.105 1.00 1.00 H new ATOM 1177 N ASN A 75 -6.431 9.235 -1.123 1.00 1.00 N ATOM 1178 CA ASN A 75 -7.695 9.866 -0.765 1.00 1.00 C ATOM 1179 C ASN A 75 -7.453 11.281 -0.250 1.00 1.00 C ATOM 1180 O ASN A 75 -8.338 12.136 -0.308 1.00 1.00 O ATOM 1181 CB ASN A 75 -8.404 9.043 0.313 1.00 1.00 C ATOM 1182 CG ASN A 75 -9.063 7.822 -0.313 1.00 1.00 C ATOM 1183 OD1 ASN A 75 -8.672 7.390 -1.399 1.00 1.00 O ATOM 1184 ND2 ASN A 75 -10.045 7.233 0.312 1.00 1.00 N ATOM 0 H ASN A 75 -6.326 8.274 -0.799 1.00 1.00 H new ATOM 0 HA ASN A 75 -8.323 9.914 -1.654 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -7.688 8.730 1.073 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -9.154 9.654 0.814 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -10.491 6.413 -0.098 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -10.366 7.593 1.211 1.00 1.00 H new ATOM 1191 N LYS A 76 -6.247 11.521 0.254 1.00 1.00 N ATOM 1192 CA LYS A 76 -5.894 12.835 0.778 1.00 1.00 C ATOM 1193 C LYS A 76 -5.224 13.684 -0.299 1.00 1.00 C ATOM 1194 O LYS A 76 -5.516 14.871 -0.437 1.00 1.00 O ATOM 1195 CB LYS A 76 -4.946 12.680 1.970 1.00 1.00 C ATOM 1196 CG LYS A 76 -5.577 13.310 3.214 1.00 1.00 C ATOM 1197 CD LYS A 76 -6.829 12.524 3.611 1.00 1.00 C ATOM 1198 CE LYS A 76 -6.598 11.841 4.959 1.00 1.00 C ATOM 1199 NZ LYS A 76 -5.421 10.930 4.858 1.00 1.00 N ATOM 0 H LYS A 76 -5.502 10.827 0.311 1.00 1.00 H new ATOM 0 HA LYS A 76 -6.808 13.335 1.099 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -4.740 11.625 2.149 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -3.991 13.158 1.753 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -4.861 13.312 4.036 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -5.836 14.350 3.015 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -7.687 13.194 3.673 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -7.060 11.779 2.849 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -6.427 12.589 5.733 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -7.484 11.277 5.250 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -5.493 10.188 5.583 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -5.401 10.492 3.915 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -4.547 11.474 5.005 1.00 1.00 H new ATOM 1213 N CYS A 77 -4.321 13.067 -1.055 1.00 1.00 N ATOM 1214 CA CYS A 77 -3.611 13.778 -2.115 1.00 1.00 C ATOM 1215 C CYS A 77 -4.495 13.938 -3.347 1.00 1.00 C ATOM 1216 O CYS A 77 -4.162 14.684 -4.269 1.00 1.00 O ATOM 1217 CB CYS A 77 -2.342 13.013 -2.490 1.00 1.00 C ATOM 1218 SG CYS A 77 -1.176 14.139 -3.297 1.00 1.00 S ATOM 0 H CYS A 77 -4.064 12.085 -0.956 1.00 1.00 H new ATOM 0 HA CYS A 77 -3.346 14.769 -1.747 1.00 1.00 H new ATOM 0 HB2 CYS A 77 -1.888 12.580 -1.598 1.00 1.00 H new ATOM 0 HB3 CYS A 77 -2.586 12.186 -3.157 1.00 1.00 H new ATOM 0 HG CYS A 77 -1.813 14.884 -4.151 1.00 1.00 H new ATOM 1224 N ALA A 78 -5.622 13.234 -3.358 1.00 1.00 N ATOM 1225 CA ALA A 78 -6.546 13.307 -4.484 1.00 1.00 C ATOM 1226 C ALA A 78 -7.513 14.472 -4.309 1.00 1.00 C ATOM 1227 O ALA A 78 -8.505 14.584 -5.029 1.00 1.00 O ATOM 1228 CB ALA A 78 -7.334 12.000 -4.597 1.00 1.00 C ATOM 0 H ALA A 78 -5.916 12.611 -2.606 1.00 1.00 H new ATOM 0 HA ALA A 78 -5.968 13.464 -5.395 1.00 1.00 H new ATOM 0 HB1 ALA A 78 -8.022 12.062 -5.440 1.00 1.00 H new ATOM 0 HB2 ALA A 78 -6.643 11.171 -4.752 1.00 1.00 H new ATOM 0 HB3 ALA A 78 -7.899 11.835 -3.679 1.00 1.00 H new ATOM 1234 N SER A 79 -7.216 15.340 -3.346 1.00 1.00 N ATOM 1235 CA SER A 79 -8.066 16.495 -3.084 1.00 1.00 C ATOM 1236 C SER A 79 -7.546 17.723 -3.824 1.00 1.00 C ATOM 1237 O SER A 79 -8.239 18.735 -3.932 1.00 1.00 O ATOM 1238 CB SER A 79 -8.106 16.782 -1.583 1.00 1.00 C ATOM 1239 OG SER A 79 -8.458 15.594 -0.887 1.00 1.00 O ATOM 0 H SER A 79 -6.400 15.266 -2.739 1.00 1.00 H new ATOM 0 HA SER A 79 -9.072 16.270 -3.439 1.00 1.00 H new ATOM 0 HB2 SER A 79 -7.135 17.142 -1.244 1.00 1.00 H new ATOM 0 HB3 SER A 79 -8.829 17.569 -1.371 1.00 1.00 H new ATOM 0 HG SER A 79 -7.644 15.126 -0.607 1.00 1.00 H new ATOM 1245 N MET A 80 -6.323 17.626 -4.334 1.00 1.00 N ATOM 1246 CA MET A 80 -5.720 18.736 -5.064 1.00 1.00 C ATOM 1247 C MET A 80 -5.802 20.020 -4.246 1.00 1.00 C ATOM 1248 O MET A 80 -5.658 21.120 -4.781 1.00 1.00 O ATOM 1249 CB MET A 80 -6.438 18.933 -6.401 1.00 1.00 C ATOM 1250 CG MET A 80 -6.341 17.649 -7.225 1.00 1.00 C ATOM 1251 SD MET A 80 -7.979 17.215 -7.862 1.00 1.00 S ATOM 1252 CE MET A 80 -8.144 18.593 -9.023 1.00 1.00 C ATOM 0 H MET A 80 -5.733 16.797 -4.257 1.00 1.00 H new ATOM 0 HA MET A 80 -4.672 18.501 -5.247 1.00 1.00 H new ATOM 0 HB2 MET A 80 -7.483 19.190 -6.230 1.00 1.00 H new ATOM 0 HB3 MET A 80 -5.991 19.763 -6.947 1.00 1.00 H new ATOM 0 HG2 MET A 80 -5.643 17.786 -8.051 1.00 1.00 H new ATOM 0 HG3 MET A 80 -5.952 16.838 -6.610 1.00 1.00 H new ATOM 0 HE1 MET A 80 -8.991 18.412 -9.684 1.00 1.00 H new ATOM 0 HE2 MET A 80 -8.307 19.518 -8.469 1.00 1.00 H new ATOM 0 HE3 MET A 80 -7.233 18.680 -9.616 1.00 1.00 H new ATOM 1262 N LYS A 81 -6.035 19.874 -2.945 1.00 1.00 N ATOM 1263 CA LYS A 81 -6.135 21.029 -2.062 1.00 1.00 C ATOM 1264 C LYS A 81 -7.111 22.056 -2.629 1.00 1.00 C ATOM 1265 O LYS A 81 -6.675 22.899 -3.395 1.00 1.00 O ATOM 1266 CB LYS A 81 -4.758 21.675 -1.888 1.00 1.00 C ATOM 1267 CG LYS A 81 -4.082 21.105 -0.639 1.00 1.00 C ATOM 1268 CD LYS A 81 -2.621 21.557 -0.599 1.00 1.00 C ATOM 1269 CE LYS A 81 -1.716 20.399 -1.027 1.00 1.00 C ATOM 1270 NZ LYS A 81 -2.190 19.857 -2.333 1.00 1.00 N ATOM 1271 OXT LYS A 81 -8.281 21.982 -2.290 1.00 1.00 O ATOM 0 H LYS A 81 -6.157 18.973 -2.482 1.00 1.00 H new ATOM 0 HA LYS A 81 -6.503 20.690 -1.094 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -4.142 21.485 -2.767 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -4.860 22.756 -1.798 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -4.603 21.444 0.256 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -4.137 20.016 -0.647 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -2.475 22.410 -1.261 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -2.358 21.885 0.407 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -0.685 20.742 -1.116 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -1.727 19.615 -0.270 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -1.478 19.202 -2.716 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -3.087 19.350 -2.193 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -2.335 20.640 -3.002 1.00 1.00 H new TER 1285 LYS A 81