USER MOD reduce.3.24.130724 H: found=0, std=0, add=1098, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1101 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 65 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 74 SER OG : rot 170:sc= -0.508 USER MOD Set 2.1: A 46 GLN : amide:sc=-0.00597 X(o=-0.1,f=-0.48) USER MOD Set 2.2: A 50 GLN : amide:sc= -0.0948 X(o=-0.1,f=-0.1) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -155:sc= -0.0791 (180deg=-0.352) USER MOD Single : A 10 CYS SG : rot -130:sc= -0.924 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.263 USER MOD Single : A 15 ASN : amide:sc= -4.03! C(o=-4!,f=-5.1!) USER MOD Single : A 22 SER OG : rot 160:sc= -0.619 USER MOD Single : A 28 THR OG1 : rot -170:sc= -0.609 USER MOD Single : A 30 LYS NZ :NH3+ 156:sc= -0.068 (180deg=-0.386) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 40:sc= 0.585 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.379 X(o=-0.38,f=0) USER MOD Single : A 45 TYR OH : rot -74:sc= 1.16 USER MOD Single : A 47 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.27) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 CYS SG : rot 109:sc= 0.71 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.203 USER MOD Single : A 66 THR OG1 : rot 48:sc= 0.16 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 38:sc= 0.339 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.323) USER MOD Single : A 80 THR OG1 : rot -96:sc= 0.178 USER MOD Single : A 85 ASN :FLIP amide:sc= -0.344 F(o=-0.97,f=-0.34) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.043) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 39:sc= 0.573 USER MOD Single : A 96 THR OG1 : rot 36:sc= 0.703 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -0.347 K(o=-0.35,f=-1.4) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= -2.02! C(o=-2!,f=-8.1!) USER MOD Single : A 126 LYS NZ :NH3+ -162:sc= -0.0598 (180deg=-0.449) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 ASN : amide:sc= 0.0598 K(o=0.06,f=-5.1!) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 140 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -3.745 -21.535 -9.624 1.00 0.00 N ATOM 2 CA ALA A 2 -3.512 -20.215 -10.271 1.00 0.00 C ATOM 3 C ALA A 2 -3.770 -19.068 -9.294 1.00 0.00 C ATOM 4 O ALA A 2 -4.277 -19.285 -8.193 1.00 0.00 O ATOM 5 CB ALA A 2 -4.402 -20.070 -11.498 1.00 0.00 C ATOM 0 HA ALA A 2 -2.467 -20.168 -10.579 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.224 -19.101 -11.964 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -4.172 -20.863 -12.210 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.448 -20.142 -11.199 1.00 0.00 H new ATOM 13 N THR A 3 -3.421 -17.848 -9.703 1.00 0.00 N ATOM 14 CA THR A 3 -3.622 -16.671 -8.860 1.00 0.00 C ATOM 15 C THR A 3 -4.711 -15.773 -9.442 1.00 0.00 C ATOM 16 O THR A 3 -4.477 -15.037 -10.401 1.00 0.00 O ATOM 17 CB THR A 3 -2.316 -15.880 -8.706 1.00 0.00 C ATOM 18 OG1 THR A 3 -1.197 -16.666 -9.083 1.00 0.00 O ATOM 19 CG2 THR A 3 -2.076 -15.394 -7.294 1.00 0.00 C ATOM 0 H THR A 3 -2.999 -17.650 -10.610 1.00 0.00 H new ATOM 0 HA THR A 3 -3.938 -17.014 -7.875 1.00 0.00 H new ATOM 0 HB THR A 3 -2.427 -15.016 -9.361 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.377 -16.140 -8.978 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.137 -14.842 -7.254 1.00 0.00 H new ATOM 0 HG22 THR A 3 -2.894 -14.741 -6.990 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.024 -16.248 -6.619 1.00 0.00 H new ATOM 27 N LYS A 4 -5.907 -15.843 -8.856 1.00 0.00 N ATOM 28 CA LYS A 4 -7.036 -15.038 -9.316 1.00 0.00 C ATOM 29 C LYS A 4 -7.306 -13.876 -8.364 1.00 0.00 C ATOM 30 O LYS A 4 -6.852 -13.884 -7.221 1.00 0.00 O ATOM 31 CB LYS A 4 -8.289 -15.909 -9.449 1.00 0.00 C ATOM 32 CG LYS A 4 -8.485 -16.487 -10.842 1.00 0.00 C ATOM 33 CD LYS A 4 -9.565 -15.743 -11.613 1.00 0.00 C ATOM 34 CE LYS A 4 -9.209 -15.606 -13.087 1.00 0.00 C ATOM 35 NZ LYS A 4 -10.420 -15.616 -13.955 1.00 0.00 N ATOM 0 H LYS A 4 -6.117 -16.449 -8.063 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.781 -14.627 -10.293 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.231 -16.727 -8.731 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.164 -15.315 -9.185 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.545 -16.437 -11.392 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.754 -17.541 -10.764 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.513 -16.272 -11.515 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.706 -14.753 -11.179 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.659 -14.678 -13.243 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.547 -16.422 -13.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.134 -15.521 -14.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.932 -16.512 -13.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.040 -14.822 -13.695 1.00 0.00 H new ATOM 49 N ILE A 5 -8.047 -12.881 -8.845 1.00 0.00 N ATOM 50 CA ILE A 5 -8.381 -11.712 -8.037 1.00 0.00 C ATOM 51 C ILE A 5 -9.891 -11.584 -7.855 1.00 0.00 C ATOM 52 O ILE A 5 -10.656 -11.741 -8.809 1.00 0.00 O ATOM 53 CB ILE A 5 -7.825 -10.409 -8.659 1.00 0.00 C ATOM 54 CG1 ILE A 5 -8.078 -9.223 -7.725 1.00 0.00 C ATOM 55 CG2 ILE A 5 -8.444 -10.155 -10.029 1.00 0.00 C ATOM 56 CD1 ILE A 5 -7.070 -8.105 -7.877 1.00 0.00 C ATOM 0 H ILE A 5 -8.428 -12.861 -9.791 1.00 0.00 H new ATOM 0 HA ILE A 5 -7.914 -11.858 -7.063 1.00 0.00 H new ATOM 0 HB ILE A 5 -6.749 -10.524 -8.790 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -9.076 -8.829 -7.915 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.065 -9.575 -6.693 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.038 -9.234 -10.447 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.212 -10.988 -10.693 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.525 -10.062 -9.928 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.313 -7.300 -7.184 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.071 -8.483 -7.658 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.099 -7.726 -8.898 1.00 0.00 H new ATOM 68 N ASP A 6 -10.312 -11.299 -6.625 1.00 0.00 N ATOM 69 CA ASP A 6 -11.730 -11.149 -6.317 1.00 0.00 C ATOM 70 C ASP A 6 -12.203 -9.728 -6.606 1.00 0.00 C ATOM 71 O ASP A 6 -11.764 -8.773 -5.960 1.00 0.00 O ATOM 72 CB ASP A 6 -11.997 -11.504 -4.854 1.00 0.00 C ATOM 73 CG ASP A 6 -12.284 -12.978 -4.659 1.00 0.00 C ATOM 74 OD1 ASP A 6 -13.457 -13.379 -4.808 1.00 0.00 O ATOM 75 OD2 ASP A 6 -11.335 -13.733 -4.360 1.00 0.00 O ATOM 0 H ASP A 6 -9.691 -11.168 -5.827 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.289 -11.833 -6.955 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.133 -11.222 -4.252 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.843 -10.921 -4.490 1.00 0.00 H new ATOM 80 N LYS A 7 -13.103 -9.597 -7.581 1.00 0.00 N ATOM 81 CA LYS A 7 -13.647 -8.296 -7.964 1.00 0.00 C ATOM 82 C LYS A 7 -14.473 -7.691 -6.831 1.00 0.00 C ATOM 83 O LYS A 7 -14.390 -6.492 -6.562 1.00 0.00 O ATOM 84 CB LYS A 7 -14.518 -8.433 -9.215 1.00 0.00 C ATOM 85 CG LYS A 7 -13.735 -8.422 -10.520 1.00 0.00 C ATOM 86 CD LYS A 7 -13.969 -9.694 -11.322 1.00 0.00 C ATOM 87 CE LYS A 7 -14.239 -9.394 -12.790 1.00 0.00 C ATOM 88 NZ LYS A 7 -15.494 -8.610 -12.984 1.00 0.00 N ATOM 0 H LYS A 7 -13.471 -10.380 -8.121 1.00 0.00 H new ATOM 0 HA LYS A 7 -12.809 -7.633 -8.176 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -15.084 -9.362 -9.151 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -15.243 -7.619 -9.231 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -14.029 -7.557 -11.114 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.671 -8.316 -10.306 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.097 -10.343 -11.238 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.814 -10.239 -10.901 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.398 -8.839 -13.206 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -14.308 -10.330 -13.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.866 -8.782 -13.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.200 -8.905 -12.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.292 -7.596 -12.868 1.00 0.00 H new ATOM 102 N GLU A 8 -15.270 -8.532 -6.175 1.00 0.00 N ATOM 103 CA GLU A 8 -16.121 -8.092 -5.072 1.00 0.00 C ATOM 104 C GLU A 8 -15.285 -7.669 -3.866 1.00 0.00 C ATOM 105 O GLU A 8 -15.551 -6.634 -3.255 1.00 0.00 O ATOM 106 CB GLU A 8 -17.090 -9.209 -4.675 1.00 0.00 C ATOM 107 CG GLU A 8 -18.544 -8.869 -4.946 1.00 0.00 C ATOM 108 CD GLU A 8 -19.081 -7.812 -4.000 1.00 0.00 C ATOM 109 OE1 GLU A 8 -19.141 -8.082 -2.783 1.00 0.00 O ATOM 110 OE2 GLU A 8 -19.435 -6.713 -4.478 1.00 0.00 O ATOM 0 H GLU A 8 -15.344 -9.526 -6.390 1.00 0.00 H new ATOM 0 HA GLU A 8 -16.692 -7.227 -5.410 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -16.829 -10.117 -5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -16.967 -9.427 -3.614 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -18.646 -8.518 -5.973 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -19.148 -9.772 -4.856 1.00 0.00 H new ATOM 117 N ALA A 9 -14.277 -8.476 -3.531 1.00 0.00 N ATOM 118 CA ALA A 9 -13.402 -8.186 -2.397 1.00 0.00 C ATOM 119 C ALA A 9 -12.682 -6.853 -2.581 1.00 0.00 C ATOM 120 O ALA A 9 -12.828 -5.943 -1.762 1.00 0.00 O ATOM 121 CB ALA A 9 -12.392 -9.311 -2.204 1.00 0.00 C ATOM 0 H ALA A 9 -14.047 -9.336 -4.030 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.023 -8.113 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.748 -9.080 -1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.920 -10.246 -2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.785 -9.413 -3.103 1.00 0.00 H new ATOM 127 N CYS A 10 -11.906 -6.746 -3.659 1.00 0.00 N ATOM 128 CA CYS A 10 -11.156 -5.526 -3.956 1.00 0.00 C ATOM 129 C CYS A 10 -12.077 -4.308 -4.023 1.00 0.00 C ATOM 130 O CYS A 10 -11.755 -3.246 -3.486 1.00 0.00 O ATOM 131 CB CYS A 10 -10.399 -5.684 -5.276 1.00 0.00 C ATOM 132 SG CYS A 10 -8.752 -6.412 -5.103 1.00 0.00 S ATOM 0 H CYS A 10 -11.780 -7.492 -4.343 1.00 0.00 H new ATOM 0 HA CYS A 10 -10.443 -5.364 -3.148 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -10.990 -6.306 -5.949 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.304 -4.706 -5.747 1.00 0.00 H new ATOM 0 HG CYS A 10 -7.884 -5.678 -5.734 1.00 0.00 H new ATOM 138 N ARG A 11 -13.224 -4.470 -4.683 1.00 0.00 N ATOM 139 CA ARG A 11 -14.196 -3.385 -4.821 1.00 0.00 C ATOM 140 C ARG A 11 -14.776 -2.991 -3.462 1.00 0.00 C ATOM 141 O ARG A 11 -14.941 -1.803 -3.173 1.00 0.00 O ATOM 142 CB ARG A 11 -15.319 -3.798 -5.775 1.00 0.00 C ATOM 143 CG ARG A 11 -16.229 -2.651 -6.187 1.00 0.00 C ATOM 144 CD ARG A 11 -17.272 -3.104 -7.195 1.00 0.00 C ATOM 145 NE ARG A 11 -16.751 -3.111 -8.563 1.00 0.00 N ATOM 146 CZ ARG A 11 -17.311 -3.780 -9.575 1.00 0.00 C ATOM 147 NH1 ARG A 11 -18.410 -4.504 -9.379 1.00 0.00 N ATOM 148 NH2 ARG A 11 -16.770 -3.723 -10.786 1.00 0.00 N ATOM 0 H ARG A 11 -13.503 -5.343 -5.131 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.680 -2.518 -5.234 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -14.879 -4.239 -6.669 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -15.920 -4.573 -5.300 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -16.725 -2.244 -5.306 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -15.631 -1.847 -6.616 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -17.617 -4.105 -6.934 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -18.138 -2.444 -7.141 1.00 0.00 H new ATOM 0 HE ARG A 11 -15.907 -2.571 -8.756 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -18.831 -4.551 -8.451 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -18.832 -5.012 -10.157 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.928 -3.169 -10.943 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -17.196 -4.233 -11.560 1.00 0.00 H new ATOM 162 N ALA A 12 -15.079 -3.991 -2.629 1.00 0.00 N ATOM 163 CA ALA A 12 -15.634 -3.744 -1.301 1.00 0.00 C ATOM 164 C ALA A 12 -14.730 -2.807 -0.503 1.00 0.00 C ATOM 165 O ALA A 12 -15.170 -1.758 -0.026 1.00 0.00 O ATOM 166 CB ALA A 12 -15.837 -5.055 -0.555 1.00 0.00 C ATOM 0 H ALA A 12 -14.948 -4.977 -2.853 1.00 0.00 H new ATOM 0 HA ALA A 12 -16.604 -3.262 -1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -16.251 -4.851 0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.526 -5.689 -1.114 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -14.880 -5.565 -0.449 1.00 0.00 H new ATOM 172 N ALA A 13 -13.462 -3.188 -0.369 1.00 0.00 N ATOM 173 CA ALA A 13 -12.498 -2.377 0.362 1.00 0.00 C ATOM 174 C ALA A 13 -12.360 -0.989 -0.264 1.00 0.00 C ATOM 175 O ALA A 13 -12.231 0.005 0.449 1.00 0.00 O ATOM 176 CB ALA A 13 -11.148 -3.078 0.417 1.00 0.00 C ATOM 0 H ALA A 13 -13.081 -4.051 -0.757 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.865 -2.250 1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.439 -2.459 0.967 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.257 -4.039 0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.780 -3.239 -0.596 1.00 0.00 H new ATOM 182 N TYR A 14 -12.392 -0.929 -1.600 1.00 0.00 N ATOM 183 CA TYR A 14 -12.271 0.339 -2.328 1.00 0.00 C ATOM 184 C TYR A 14 -13.356 1.336 -1.916 1.00 0.00 C ATOM 185 O TYR A 14 -13.055 2.490 -1.606 1.00 0.00 O ATOM 186 CB TYR A 14 -12.345 0.100 -3.842 1.00 0.00 C ATOM 187 CG TYR A 14 -11.528 1.081 -4.657 1.00 0.00 C ATOM 188 CD1 TYR A 14 -11.776 2.448 -4.592 1.00 0.00 C ATOM 189 CD2 TYR A 14 -10.509 0.640 -5.493 1.00 0.00 C ATOM 190 CE1 TYR A 14 -11.030 3.344 -5.333 1.00 0.00 C ATOM 191 CE2 TYR A 14 -9.759 1.532 -6.236 1.00 0.00 C ATOM 192 CZ TYR A 14 -10.023 2.881 -6.153 1.00 0.00 C ATOM 193 OH TYR A 14 -9.275 3.771 -6.888 1.00 0.00 O ATOM 0 H TYR A 14 -12.501 -1.746 -2.200 1.00 0.00 H new ATOM 0 HA TYR A 14 -11.301 0.765 -2.072 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.002 -0.912 -4.058 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -13.386 0.158 -4.159 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -12.565 2.815 -3.952 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.300 -0.417 -5.563 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.235 4.403 -5.270 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.969 1.173 -6.879 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.607 3.282 -7.412 1.00 0.00 H new ATOM 203 N ASN A 15 -14.617 0.900 -1.926 1.00 0.00 N ATOM 204 CA ASN A 15 -15.724 1.777 -1.561 1.00 0.00 C ATOM 205 C ASN A 15 -15.609 2.257 -0.111 1.00 0.00 C ATOM 206 O ASN A 15 -16.070 3.352 0.221 1.00 0.00 O ATOM 207 CB ASN A 15 -17.067 1.074 -1.797 1.00 0.00 C ATOM 208 CG ASN A 15 -17.360 -0.034 -0.800 1.00 0.00 C ATOM 209 OD1 ASN A 15 -17.426 0.198 0.408 1.00 0.00 O ATOM 210 ND2 ASN A 15 -17.553 -1.246 -1.308 1.00 0.00 N ATOM 0 H ASN A 15 -14.893 -0.048 -2.181 1.00 0.00 H new ATOM 0 HA ASN A 15 -15.675 2.658 -2.201 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.867 1.813 -1.751 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.076 0.657 -2.804 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -17.765 -2.030 -0.691 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -17.489 -1.393 -2.315 1.00 0.00 H new ATOM 217 N LEU A 16 -14.996 1.438 0.746 1.00 0.00 N ATOM 218 CA LEU A 16 -14.826 1.785 2.157 1.00 0.00 C ATOM 219 C LEU A 16 -13.620 2.705 2.363 1.00 0.00 C ATOM 220 O LEU A 16 -13.703 3.698 3.088 1.00 0.00 O ATOM 221 CB LEU A 16 -14.662 0.510 2.988 1.00 0.00 C ATOM 222 CG LEU A 16 -15.179 0.592 4.426 1.00 0.00 C ATOM 223 CD1 LEU A 16 -15.355 -0.802 5.006 1.00 0.00 C ATOM 224 CD2 LEU A 16 -14.229 1.410 5.287 1.00 0.00 C ATOM 0 H LEU A 16 -14.609 0.530 0.487 1.00 0.00 H new ATOM 0 HA LEU A 16 -15.716 2.321 2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -15.180 -0.304 2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.604 0.248 3.015 1.00 0.00 H new ATOM 0 HG LEU A 16 -16.150 1.088 4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.723 -0.727 6.029 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.072 -1.359 4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -14.397 -1.321 5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -14.612 1.458 6.306 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -13.245 0.940 5.291 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -14.148 2.419 4.882 1.00 0.00 H new ATOM 236 N VAL A 17 -12.501 2.364 1.724 1.00 0.00 N ATOM 237 CA VAL A 17 -11.273 3.152 1.836 1.00 0.00 C ATOM 238 C VAL A 17 -11.442 4.552 1.238 1.00 0.00 C ATOM 239 O VAL A 17 -10.794 5.502 1.683 1.00 0.00 O ATOM 240 CB VAL A 17 -10.083 2.444 1.152 1.00 0.00 C ATOM 241 CG1 VAL A 17 -9.767 1.130 1.851 1.00 0.00 C ATOM 242 CG2 VAL A 17 -10.359 2.212 -0.327 1.00 0.00 C ATOM 0 H VAL A 17 -12.419 1.545 1.122 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.063 3.249 2.901 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.213 3.096 1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.926 0.647 1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.510 1.324 2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.638 0.476 1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.504 1.712 -0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.246 1.588 -0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.525 3.170 -0.821 1.00 0.00 H new ATOM 252 N ARG A 18 -12.311 4.672 0.231 1.00 0.00 N ATOM 253 CA ARG A 18 -12.565 5.956 -0.425 1.00 0.00 C ATOM 254 C ARG A 18 -13.016 7.013 0.585 1.00 0.00 C ATOM 255 O ARG A 18 -12.602 8.171 0.508 1.00 0.00 O ATOM 256 CB ARG A 18 -13.622 5.791 -1.522 1.00 0.00 C ATOM 257 CG ARG A 18 -13.034 5.510 -2.896 1.00 0.00 C ATOM 258 CD ARG A 18 -13.993 5.908 -4.009 1.00 0.00 C ATOM 259 NE ARG A 18 -14.915 4.826 -4.360 1.00 0.00 N ATOM 260 CZ ARG A 18 -15.806 4.897 -5.354 1.00 0.00 C ATOM 261 NH1 ARG A 18 -15.897 5.993 -6.102 1.00 0.00 N ATOM 262 NH2 ARG A 18 -16.608 3.866 -5.600 1.00 0.00 N ATOM 0 H ARG A 18 -12.851 3.894 -0.148 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.632 6.294 -0.876 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.293 4.976 -1.249 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.226 6.697 -1.573 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.097 6.056 -3.010 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.797 4.449 -2.981 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.564 6.783 -3.698 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.422 6.197 -4.892 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.875 3.966 -3.813 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.284 6.788 -5.919 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.580 6.039 -6.859 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.543 3.022 -5.031 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -17.288 3.919 -6.358 1.00 0.00 H new ATOM 276 N ASP A 19 -13.858 6.603 1.535 1.00 0.00 N ATOM 277 CA ASP A 19 -14.360 7.505 2.565 1.00 0.00 C ATOM 278 C ASP A 19 -13.216 8.009 3.442 1.00 0.00 C ATOM 279 O ASP A 19 -12.471 7.216 4.021 1.00 0.00 O ATOM 280 CB ASP A 19 -15.409 6.796 3.428 1.00 0.00 C ATOM 281 CG ASP A 19 -16.326 7.768 4.147 1.00 0.00 C ATOM 282 OD1 ASP A 19 -15.838 8.503 5.032 1.00 0.00 O ATOM 283 OD2 ASP A 19 -17.531 7.796 3.822 1.00 0.00 O ATOM 0 H ASP A 19 -14.206 5.647 1.610 1.00 0.00 H new ATOM 0 HA ASP A 19 -14.825 8.360 2.074 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -16.006 6.136 2.799 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -14.905 6.167 4.162 1.00 0.00 H new ATOM 288 N ASP A 20 -13.083 9.332 3.530 1.00 0.00 N ATOM 289 CA ASP A 20 -12.027 9.948 4.331 1.00 0.00 C ATOM 290 C ASP A 20 -12.550 10.368 5.711 1.00 0.00 C ATOM 291 O ASP A 20 -12.187 11.426 6.229 1.00 0.00 O ATOM 292 CB ASP A 20 -11.440 11.156 3.587 1.00 0.00 C ATOM 293 CG ASP A 20 -9.935 11.293 3.767 1.00 0.00 C ATOM 294 OD1 ASP A 20 -9.415 10.885 4.830 1.00 0.00 O ATOM 295 OD2 ASP A 20 -9.276 11.815 2.843 1.00 0.00 O ATOM 0 H ASP A 20 -13.694 9.998 3.056 1.00 0.00 H new ATOM 0 HA ASP A 20 -11.240 9.210 4.485 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.666 11.066 2.525 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.927 12.065 3.941 1.00 0.00 H new ATOM 300 N GLY A 21 -13.403 9.528 6.302 1.00 0.00 N ATOM 301 CA GLY A 21 -13.959 9.826 7.614 1.00 0.00 C ATOM 302 C GLY A 21 -14.621 8.619 8.263 1.00 0.00 C ATOM 303 O GLY A 21 -15.650 8.759 8.925 1.00 0.00 O ATOM 0 H GLY A 21 -13.718 8.647 5.895 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.165 10.193 8.265 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -14.690 10.629 7.520 1.00 0.00 H new ATOM 307 N SER A 22 -14.036 7.433 8.072 1.00 0.00 N ATOM 308 CA SER A 22 -14.583 6.202 8.641 1.00 0.00 C ATOM 309 C SER A 22 -13.553 5.483 9.517 1.00 0.00 C ATOM 310 O SER A 22 -13.617 4.264 9.689 1.00 0.00 O ATOM 311 CB SER A 22 -15.058 5.271 7.520 1.00 0.00 C ATOM 312 OG SER A 22 -14.370 5.533 6.310 1.00 0.00 O ATOM 0 H SER A 22 -13.184 7.301 7.527 1.00 0.00 H new ATOM 0 HA SER A 22 -15.430 6.472 9.272 1.00 0.00 H new ATOM 0 HB2 SER A 22 -14.900 4.233 7.814 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.130 5.399 7.367 1.00 0.00 H new ATOM 0 HG SER A 22 -14.440 4.755 5.719 1.00 0.00 H new ATOM 318 N ALA A 23 -12.604 6.244 10.069 1.00 0.00 N ATOM 319 CA ALA A 23 -11.558 5.684 10.925 1.00 0.00 C ATOM 320 C ALA A 23 -10.714 4.645 10.182 1.00 0.00 C ATOM 321 O ALA A 23 -10.162 3.730 10.797 1.00 0.00 O ATOM 322 CB ALA A 23 -12.171 5.080 12.186 1.00 0.00 C ATOM 0 H ALA A 23 -12.540 7.253 9.937 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.893 6.498 11.213 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.381 4.667 12.813 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.705 5.854 12.738 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.866 4.287 11.909 1.00 0.00 H new ATOM 328 N VAL A 24 -10.614 4.795 8.859 1.00 0.00 N ATOM 329 CA VAL A 24 -9.834 3.873 8.036 1.00 0.00 C ATOM 330 C VAL A 24 -9.049 4.634 6.965 1.00 0.00 C ATOM 331 O VAL A 24 -9.638 5.244 6.071 1.00 0.00 O ATOM 332 CB VAL A 24 -10.737 2.816 7.361 1.00 0.00 C ATOM 333 CG1 VAL A 24 -9.912 1.845 6.529 1.00 0.00 C ATOM 334 CG2 VAL A 24 -11.559 2.066 8.401 1.00 0.00 C ATOM 0 H VAL A 24 -11.064 5.547 8.337 1.00 0.00 H new ATOM 0 HA VAL A 24 -9.136 3.360 8.698 1.00 0.00 H new ATOM 0 HB VAL A 24 -11.422 3.337 6.692 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.572 1.112 6.065 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.377 2.394 5.754 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.195 1.333 7.171 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -12.187 1.327 7.904 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.890 1.563 9.100 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -12.188 2.771 8.945 1.00 0.00 H new ATOM 344 N ILE A 25 -7.719 4.600 7.066 1.00 0.00 N ATOM 345 CA ILE A 25 -6.858 5.292 6.105 1.00 0.00 C ATOM 346 C ILE A 25 -6.081 4.313 5.223 1.00 0.00 C ATOM 347 O ILE A 25 -5.726 4.644 4.091 1.00 0.00 O ATOM 348 CB ILE A 25 -5.860 6.238 6.809 1.00 0.00 C ATOM 349 CG1 ILE A 25 -4.995 5.471 7.814 1.00 0.00 C ATOM 350 CG2 ILE A 25 -6.600 7.375 7.501 1.00 0.00 C ATOM 351 CD1 ILE A 25 -3.514 5.750 7.676 1.00 0.00 C ATOM 0 H ILE A 25 -7.216 4.103 7.801 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.524 5.881 5.475 1.00 0.00 H new ATOM 0 HB ILE A 25 -5.203 6.663 6.050 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.312 5.729 8.825 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.168 4.402 7.688 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.881 8.031 7.992 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.166 7.943 6.763 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.283 6.965 8.245 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.964 5.173 8.419 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.182 5.466 6.678 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.328 6.813 7.831 1.00 0.00 H new ATOM 363 N TRP A 26 -5.815 3.112 5.741 1.00 0.00 N ATOM 364 CA TRP A 26 -5.081 2.099 4.988 1.00 0.00 C ATOM 365 C TRP A 26 -5.835 0.770 4.972 1.00 0.00 C ATOM 366 O TRP A 26 -6.714 0.531 5.803 1.00 0.00 O ATOM 367 CB TRP A 26 -3.678 1.900 5.580 1.00 0.00 C ATOM 368 CG TRP A 26 -3.683 1.300 6.959 1.00 0.00 C ATOM 369 CD1 TRP A 26 -3.505 1.960 8.138 1.00 0.00 C ATOM 370 CD2 TRP A 26 -3.872 -0.082 7.298 1.00 0.00 C ATOM 371 NE1 TRP A 26 -3.582 1.079 9.190 1.00 0.00 N ATOM 372 CE2 TRP A 26 -3.805 -0.178 8.699 1.00 0.00 C ATOM 373 CE3 TRP A 26 -4.095 -1.245 6.555 1.00 0.00 C ATOM 374 CZ2 TRP A 26 -3.952 -1.387 9.372 1.00 0.00 C ATOM 375 CZ3 TRP A 26 -4.241 -2.445 7.225 1.00 0.00 C ATOM 376 CH2 TRP A 26 -4.172 -2.506 8.618 1.00 0.00 C ATOM 0 H TRP A 26 -6.097 2.820 6.677 1.00 0.00 H new ATOM 0 HA TRP A 26 -4.986 2.451 3.961 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.101 1.257 4.916 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -3.168 2.863 5.614 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -3.329 3.021 8.232 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -3.488 1.323 10.176 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -4.152 -1.206 5.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -3.894 -1.439 10.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -4.411 -3.351 6.662 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -4.295 -3.459 9.111 1.00 0.00 H new ATOM 387 N VAL A 27 -5.469 -0.095 4.030 1.00 0.00 N ATOM 388 CA VAL A 27 -6.089 -1.411 3.905 1.00 0.00 C ATOM 389 C VAL A 27 -5.060 -2.447 3.474 1.00 0.00 C ATOM 390 O VAL A 27 -4.078 -2.122 2.801 1.00 0.00 O ATOM 391 CB VAL A 27 -7.274 -1.406 2.913 1.00 0.00 C ATOM 392 CG1 VAL A 27 -6.982 -0.511 1.716 1.00 0.00 C ATOM 393 CG2 VAL A 27 -7.630 -2.816 2.454 1.00 0.00 C ATOM 0 H VAL A 27 -4.743 0.093 3.339 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.480 -1.673 4.888 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.137 -1.001 3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -7.832 -0.526 1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.809 0.509 2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.095 -0.875 1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.467 -2.771 1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.769 -3.265 1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.908 -3.420 3.317 1.00 0.00 H new ATOM 403 N THR A 28 -5.292 -3.693 3.864 1.00 0.00 N ATOM 404 CA THR A 28 -4.378 -4.780 3.516 1.00 0.00 C ATOM 405 C THR A 28 -4.826 -5.471 2.228 1.00 0.00 C ATOM 406 O THR A 28 -5.980 -5.351 1.820 1.00 0.00 O ATOM 407 CB THR A 28 -4.289 -5.795 4.664 1.00 0.00 C ATOM 408 OG1 THR A 28 -3.735 -5.196 5.822 1.00 0.00 O ATOM 409 CG2 THR A 28 -3.447 -7.010 4.337 1.00 0.00 C ATOM 0 H THR A 28 -6.099 -3.978 4.418 1.00 0.00 H new ATOM 0 HA THR A 28 -3.388 -4.354 3.351 1.00 0.00 H new ATOM 0 HB THR A 28 -5.316 -6.120 4.833 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.540 -5.889 6.487 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.430 -7.682 5.195 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.874 -7.528 3.478 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.430 -6.695 4.102 1.00 0.00 H new ATOM 417 N PHE A 29 -3.908 -6.195 1.595 1.00 0.00 N ATOM 418 CA PHE A 29 -4.208 -6.915 0.361 1.00 0.00 C ATOM 419 C PHE A 29 -3.408 -8.216 0.299 1.00 0.00 C ATOM 420 O PHE A 29 -2.226 -8.218 -0.048 1.00 0.00 O ATOM 421 CB PHE A 29 -3.911 -6.039 -0.859 1.00 0.00 C ATOM 422 CG PHE A 29 -5.024 -5.082 -1.192 1.00 0.00 C ATOM 423 CD1 PHE A 29 -5.115 -3.854 -0.554 1.00 0.00 C ATOM 424 CD2 PHE A 29 -5.980 -5.413 -2.139 1.00 0.00 C ATOM 425 CE1 PHE A 29 -6.139 -2.976 -0.857 1.00 0.00 C ATOM 426 CE2 PHE A 29 -7.004 -4.539 -2.446 1.00 0.00 C ATOM 427 CZ PHE A 29 -7.084 -3.318 -1.804 1.00 0.00 C ATOM 0 H PHE A 29 -2.946 -6.299 1.918 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.270 -7.161 0.352 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.997 -5.473 -0.677 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.723 -6.680 -1.720 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.378 -3.581 0.187 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.923 -6.366 -2.643 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.200 -2.023 -0.353 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -7.742 -4.809 -3.187 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.884 -2.633 -2.042 1.00 0.00 H new ATOM 437 N LYS A 30 -4.066 -9.318 0.651 1.00 0.00 N ATOM 438 CA LYS A 30 -3.432 -10.634 0.651 1.00 0.00 C ATOM 439 C LYS A 30 -4.270 -11.637 -0.139 1.00 0.00 C ATOM 440 O LYS A 30 -5.320 -11.286 -0.678 1.00 0.00 O ATOM 441 CB LYS A 30 -3.232 -11.122 2.091 1.00 0.00 C ATOM 442 CG LYS A 30 -4.528 -11.279 2.874 1.00 0.00 C ATOM 443 CD LYS A 30 -4.585 -10.327 4.061 1.00 0.00 C ATOM 444 CE LYS A 30 -5.358 -10.931 5.224 1.00 0.00 C ATOM 445 NZ LYS A 30 -4.644 -12.087 5.835 1.00 0.00 N ATOM 0 H LYS A 30 -5.044 -9.325 0.941 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.458 -10.549 0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.713 -12.080 2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.585 -10.420 2.616 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.376 -11.092 2.216 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.619 -12.306 3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.572 -10.084 4.383 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.055 -9.392 3.757 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.525 -10.167 5.983 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.339 -11.255 4.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.959 -12.209 6.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.854 -12.950 5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.619 -11.910 5.819 1.00 0.00 H new ATOM 459 N TYR A 31 -3.808 -12.883 -0.211 1.00 0.00 N ATOM 460 CA TYR A 31 -4.536 -13.914 -0.942 1.00 0.00 C ATOM 461 C TYR A 31 -4.686 -15.187 -0.115 1.00 0.00 C ATOM 462 O TYR A 31 -3.725 -15.679 0.480 1.00 0.00 O ATOM 463 CB TYR A 31 -3.850 -14.224 -2.277 1.00 0.00 C ATOM 464 CG TYR A 31 -2.476 -14.848 -2.141 1.00 0.00 C ATOM 465 CD1 TYR A 31 -1.340 -14.056 -2.058 1.00 0.00 C ATOM 466 CD2 TYR A 31 -2.319 -16.229 -2.097 1.00 0.00 C ATOM 467 CE1 TYR A 31 -0.084 -14.620 -1.934 1.00 0.00 C ATOM 468 CE2 TYR A 31 -1.067 -16.800 -1.972 1.00 0.00 C ATOM 469 CZ TYR A 31 0.047 -15.992 -1.891 1.00 0.00 C ATOM 470 OH TYR A 31 1.295 -16.556 -1.765 1.00 0.00 O ATOM 0 H TYR A 31 -2.941 -13.200 0.224 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.534 -13.526 -1.145 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.487 -14.897 -2.852 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.762 -13.301 -2.850 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -1.439 -12.981 -2.091 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.189 -16.865 -2.162 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.790 -13.989 -1.871 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.962 -17.874 -1.938 1.00 0.00 H new ATOM 0 HH TYR A 31 1.213 -17.532 -1.749 1.00 0.00 H new ATOM 480 N ASP A 32 -5.907 -15.714 -0.093 1.00 0.00 N ATOM 481 CA ASP A 32 -6.215 -16.936 0.642 1.00 0.00 C ATOM 482 C ASP A 32 -6.352 -18.113 -0.323 1.00 0.00 C ATOM 483 O ASP A 32 -7.262 -18.143 -1.154 1.00 0.00 O ATOM 484 CB ASP A 32 -7.502 -16.759 1.457 1.00 0.00 C ATOM 485 CG ASP A 32 -8.709 -16.432 0.593 1.00 0.00 C ATOM 486 OD1 ASP A 32 -8.752 -15.318 0.027 1.00 0.00 O ATOM 487 OD2 ASP A 32 -9.610 -17.290 0.485 1.00 0.00 O ATOM 0 H ASP A 32 -6.706 -15.309 -0.581 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.396 -17.145 1.331 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.700 -17.673 2.018 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.357 -15.962 2.187 1.00 0.00 H new ATOM 492 N GLY A 33 -5.433 -19.071 -0.221 1.00 0.00 N ATOM 493 CA GLY A 33 -5.462 -20.226 -1.101 1.00 0.00 C ATOM 494 C GLY A 33 -4.946 -19.896 -2.489 1.00 0.00 C ATOM 495 O GLY A 33 -3.829 -20.274 -2.846 1.00 0.00 O ATOM 0 H GLY A 33 -4.669 -19.067 0.455 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.859 -21.025 -0.670 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.483 -20.601 -1.173 1.00 0.00 H new ATOM 499 N SER A 34 -5.760 -19.184 -3.269 1.00 0.00 N ATOM 500 CA SER A 34 -5.377 -18.799 -4.625 1.00 0.00 C ATOM 501 C SER A 34 -6.246 -17.648 -5.150 1.00 0.00 C ATOM 502 O SER A 34 -6.528 -17.572 -6.347 1.00 0.00 O ATOM 503 CB SER A 34 -5.475 -20.007 -5.565 1.00 0.00 C ATOM 504 OG SER A 34 -4.232 -20.682 -5.660 1.00 0.00 O ATOM 0 H SER A 34 -6.686 -18.864 -2.985 1.00 0.00 H new ATOM 0 HA SER A 34 -4.345 -18.450 -4.594 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.239 -20.694 -5.201 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.790 -19.677 -6.555 1.00 0.00 H new ATOM 0 HG SER A 34 -3.807 -20.710 -4.778 1.00 0.00 H new ATOM 510 N THR A 35 -6.656 -16.749 -4.251 1.00 0.00 N ATOM 511 CA THR A 35 -7.481 -15.606 -4.637 1.00 0.00 C ATOM 512 C THR A 35 -7.061 -14.346 -3.881 1.00 0.00 C ATOM 513 O THR A 35 -6.846 -14.379 -2.670 1.00 0.00 O ATOM 514 CB THR A 35 -8.965 -15.899 -4.393 1.00 0.00 C ATOM 515 OG1 THR A 35 -9.247 -16.001 -3.007 1.00 0.00 O ATOM 516 CG2 THR A 35 -9.439 -17.177 -5.053 1.00 0.00 C ATOM 0 H THR A 35 -6.431 -16.792 -3.257 1.00 0.00 H new ATOM 0 HA THR A 35 -7.331 -15.433 -5.703 1.00 0.00 H new ATOM 0 HB THR A 35 -9.496 -15.057 -4.837 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.201 -16.187 -2.880 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.498 -17.325 -4.841 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.291 -17.106 -6.131 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.869 -18.021 -4.663 1.00 0.00 H new ATOM 524 N ILE A 36 -6.945 -13.238 -4.611 1.00 0.00 N ATOM 525 CA ILE A 36 -6.552 -11.963 -4.024 1.00 0.00 C ATOM 526 C ILE A 36 -7.746 -11.275 -3.375 1.00 0.00 C ATOM 527 O ILE A 36 -8.810 -11.156 -3.986 1.00 0.00 O ATOM 528 CB ILE A 36 -5.935 -11.023 -5.082 1.00 0.00 C ATOM 529 CG1 ILE A 36 -4.778 -11.722 -5.803 1.00 0.00 C ATOM 530 CG2 ILE A 36 -5.463 -9.728 -4.434 1.00 0.00 C ATOM 531 CD1 ILE A 36 -3.620 -12.071 -4.895 1.00 0.00 C ATOM 0 H ILE A 36 -7.119 -13.200 -5.615 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.801 -12.176 -3.264 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.700 -10.776 -5.818 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.150 -12.634 -6.270 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.418 -11.077 -6.605 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.031 -9.077 -5.194 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.309 -9.226 -3.965 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.710 -9.953 -3.678 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.839 -12.563 -5.474 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.221 -11.161 -4.448 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.964 -12.741 -4.108 1.00 0.00 H new ATOM 543 N VAL A 37 -7.563 -10.828 -2.134 1.00 0.00 N ATOM 544 CA VAL A 37 -8.626 -10.157 -1.392 1.00 0.00 C ATOM 545 C VAL A 37 -8.052 -9.186 -0.359 1.00 0.00 C ATOM 546 O VAL A 37 -7.027 -9.465 0.267 1.00 0.00 O ATOM 547 CB VAL A 37 -9.542 -11.177 -0.678 1.00 0.00 C ATOM 548 CG1 VAL A 37 -10.362 -11.964 -1.692 1.00 0.00 C ATOM 549 CG2 VAL A 37 -8.725 -12.120 0.197 1.00 0.00 C ATOM 0 H VAL A 37 -6.686 -10.919 -1.621 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.216 -9.597 -2.118 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.228 -10.625 -0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.000 -12.677 -1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.981 -11.278 -2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.692 -12.501 -2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.391 -12.829 0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -8.011 -12.663 -0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.188 -11.544 0.950 1.00 0.00 H new ATOM 559 N PRO A 38 -8.707 -8.024 -0.163 1.00 0.00 N ATOM 560 CA PRO A 38 -8.252 -7.015 0.801 1.00 0.00 C ATOM 561 C PRO A 38 -8.208 -7.557 2.230 1.00 0.00 C ATOM 562 O PRO A 38 -8.766 -8.618 2.518 1.00 0.00 O ATOM 563 CB PRO A 38 -9.295 -5.895 0.680 1.00 0.00 C ATOM 564 CG PRO A 38 -9.950 -6.118 -0.638 1.00 0.00 C ATOM 565 CD PRO A 38 -9.934 -7.603 -0.858 1.00 0.00 C ATOM 0 HA PRO A 38 -7.235 -6.684 0.590 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.019 -5.941 1.493 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.826 -4.912 0.726 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.970 -5.734 -0.637 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.415 -5.599 -1.433 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -10.819 -8.083 -0.441 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.904 -7.854 -1.918 1.00 0.00 H new ATOM 573 N GLY A 39 -7.538 -6.824 3.117 1.00 0.00 N ATOM 574 CA GLY A 39 -7.421 -7.237 4.495 1.00 0.00 C ATOM 575 C GLY A 39 -7.671 -6.098 5.464 1.00 0.00 C ATOM 576 O GLY A 39 -8.447 -5.190 5.174 1.00 0.00 O ATOM 0 H GLY A 39 -7.072 -5.944 2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.131 -8.040 4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.424 -7.644 4.666 1.00 0.00 H new ATOM 580 N GLU A 40 -7.004 -6.164 6.615 1.00 0.00 N ATOM 581 CA GLU A 40 -7.132 -5.167 7.678 1.00 0.00 C ATOM 582 C GLU A 40 -7.340 -3.756 7.134 1.00 0.00 C ATOM 583 O GLU A 40 -6.677 -3.337 6.186 1.00 0.00 O ATOM 584 CB GLU A 40 -5.900 -5.202 8.587 1.00 0.00 C ATOM 585 CG GLU A 40 -5.904 -6.351 9.585 1.00 0.00 C ATOM 586 CD GLU A 40 -5.499 -7.673 8.959 1.00 0.00 C ATOM 587 OE1 GLU A 40 -4.287 -7.879 8.737 1.00 0.00 O ATOM 588 OE2 GLU A 40 -6.395 -8.500 8.687 1.00 0.00 O ATOM 0 H GLU A 40 -6.354 -6.917 6.839 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.021 -5.426 8.254 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.006 -5.274 7.968 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.836 -4.260 9.132 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.223 -6.118 10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.900 -6.448 10.017 1.00 0.00 H new ATOM 595 N GLN A 41 -8.270 -3.032 7.753 1.00 0.00 N ATOM 596 CA GLN A 41 -8.586 -1.660 7.355 1.00 0.00 C ATOM 597 C GLN A 41 -8.756 -0.776 8.590 1.00 0.00 C ATOM 598 O GLN A 41 -9.814 -0.779 9.223 1.00 0.00 O ATOM 599 CB GLN A 41 -9.862 -1.622 6.504 1.00 0.00 C ATOM 600 CG GLN A 41 -9.990 -2.781 5.527 1.00 0.00 C ATOM 601 CD GLN A 41 -11.304 -2.766 4.769 1.00 0.00 C ATOM 602 OE1 GLN A 41 -12.236 -3.496 5.106 1.00 0.00 O ATOM 603 NE2 GLN A 41 -11.386 -1.933 3.736 1.00 0.00 N ATOM 0 H GLN A 41 -8.823 -3.375 8.539 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.758 -1.279 6.757 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.728 -1.621 7.166 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.886 -0.686 5.946 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.165 -2.744 4.816 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.900 -3.721 6.071 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.590 -1.345 3.491 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.245 -1.882 3.189 1.00 0.00 H new ATOM 612 N GLY A 42 -7.706 -0.030 8.936 1.00 0.00 N ATOM 613 CA GLY A 42 -7.764 0.833 10.106 1.00 0.00 C ATOM 614 C GLY A 42 -7.020 2.141 9.927 1.00 0.00 C ATOM 615 O GLY A 42 -6.225 2.295 9.000 1.00 0.00 O ATOM 0 H GLY A 42 -6.821 -0.008 8.429 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.807 1.046 10.340 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.348 0.301 10.962 1.00 0.00 H new ATOM 619 N ALA A 43 -7.279 3.081 10.834 1.00 0.00 N ATOM 620 CA ALA A 43 -6.631 4.390 10.802 1.00 0.00 C ATOM 621 C ALA A 43 -5.257 4.332 11.471 1.00 0.00 C ATOM 622 O ALA A 43 -4.396 5.172 11.208 1.00 0.00 O ATOM 623 CB ALA A 43 -7.509 5.433 11.480 1.00 0.00 C ATOM 0 H ALA A 43 -7.937 2.959 11.604 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.491 4.677 9.760 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.013 6.403 11.448 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.465 5.497 10.960 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.679 5.146 12.518 1.00 0.00 H new ATOM 629 N GLU A 44 -5.063 3.333 12.334 1.00 0.00 N ATOM 630 CA GLU A 44 -3.796 3.156 13.040 1.00 0.00 C ATOM 631 C GLU A 44 -2.841 2.297 12.218 1.00 0.00 C ATOM 632 O GLU A 44 -3.058 1.093 12.060 1.00 0.00 O ATOM 633 CB GLU A 44 -4.033 2.508 14.407 1.00 0.00 C ATOM 634 CG GLU A 44 -4.875 3.354 15.348 1.00 0.00 C ATOM 635 CD GLU A 44 -4.056 3.977 16.462 1.00 0.00 C ATOM 636 OE1 GLU A 44 -3.244 4.880 16.167 1.00 0.00 O ATOM 637 OE2 GLU A 44 -4.226 3.561 17.627 1.00 0.00 O ATOM 0 H GLU A 44 -5.770 2.633 12.560 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.347 4.138 13.187 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.523 1.545 14.262 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.070 2.308 14.876 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.367 4.143 14.779 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.661 2.736 15.782 1.00 0.00 H new ATOM 644 N TYR A 45 -1.789 2.919 11.687 1.00 0.00 N ATOM 645 CA TYR A 45 -0.809 2.202 10.872 1.00 0.00 C ATOM 646 C TYR A 45 -0.017 1.185 11.695 1.00 0.00 C ATOM 647 O TYR A 45 0.549 0.244 11.137 1.00 0.00 O ATOM 648 CB TYR A 45 0.150 3.179 10.194 1.00 0.00 C ATOM 649 CG TYR A 45 0.912 2.569 9.039 1.00 0.00 C ATOM 650 CD1 TYR A 45 0.306 2.375 7.806 1.00 0.00 C ATOM 651 CD2 TYR A 45 2.243 2.199 9.180 1.00 0.00 C ATOM 652 CE1 TYR A 45 1.001 1.827 6.746 1.00 0.00 C ATOM 653 CE2 TYR A 45 2.949 1.654 8.125 1.00 0.00 C ATOM 654 CZ TYR A 45 2.324 1.471 6.909 1.00 0.00 C ATOM 655 OH TYR A 45 3.026 0.934 5.851 1.00 0.00 O ATOM 0 H TYR A 45 -1.594 3.913 11.806 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.366 1.658 10.109 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.414 4.039 9.833 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.860 3.551 10.932 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.728 2.658 7.673 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.735 2.340 10.131 1.00 0.00 H new ATOM 0 HE1 TYR A 45 0.512 1.678 5.795 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.984 1.373 8.252 1.00 0.00 H new ATOM 0 HH TYR A 45 2.734 0.011 5.699 1.00 0.00 H new ATOM 665 N GLN A 46 0.021 1.370 13.019 1.00 0.00 N ATOM 666 CA GLN A 46 0.743 0.455 13.902 1.00 0.00 C ATOM 667 C GLN A 46 0.385 -0.998 13.587 1.00 0.00 C ATOM 668 O GLN A 46 1.249 -1.876 13.598 1.00 0.00 O ATOM 669 CB GLN A 46 0.425 0.765 15.370 1.00 0.00 C ATOM 670 CG GLN A 46 1.658 1.051 16.217 1.00 0.00 C ATOM 671 CD GLN A 46 2.445 -0.205 16.547 1.00 0.00 C ATOM 672 OE1 GLN A 46 1.872 -1.269 16.782 1.00 0.00 O ATOM 673 NE2 GLN A 46 3.769 -0.087 16.568 1.00 0.00 N ATOM 0 H GLN A 46 -0.439 2.143 13.499 1.00 0.00 H new ATOM 0 HA GLN A 46 1.811 0.595 13.734 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.243 1.626 15.414 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.114 -0.079 15.802 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.304 1.751 15.687 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.353 1.538 17.143 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.204 0.813 16.367 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.350 -0.897 16.785 1.00 0.00 H new ATOM 682 N HIS A 47 -0.896 -1.232 13.293 1.00 0.00 N ATOM 683 CA HIS A 47 -1.382 -2.569 12.963 1.00 0.00 C ATOM 684 C HIS A 47 -0.719 -3.103 11.695 1.00 0.00 C ATOM 685 O HIS A 47 -0.428 -4.297 11.602 1.00 0.00 O ATOM 686 CB HIS A 47 -2.901 -2.553 12.776 1.00 0.00 C ATOM 687 CG HIS A 47 -3.675 -2.842 14.027 1.00 0.00 C ATOM 688 ND1 HIS A 47 -3.108 -2.864 15.286 1.00 0.00 N ATOM 689 CD2 HIS A 47 -4.987 -3.124 14.203 1.00 0.00 C ATOM 690 CE1 HIS A 47 -4.039 -3.147 16.180 1.00 0.00 C ATOM 691 NE2 HIS A 47 -5.187 -3.308 15.548 1.00 0.00 N ATOM 0 H HIS A 47 -1.615 -0.509 13.277 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.124 -3.227 13.793 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.199 -1.576 12.395 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -3.171 -3.287 12.017 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.737 -3.192 13.429 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.887 -3.232 17.246 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -6.079 -3.533 15.989 1.00 0.00 H new ATOM 700 N PHE A 48 -0.479 -2.221 10.720 1.00 0.00 N ATOM 701 CA PHE A 48 0.149 -2.630 9.471 1.00 0.00 C ATOM 702 C PHE A 48 1.617 -2.988 9.691 1.00 0.00 C ATOM 703 O PHE A 48 2.104 -3.981 9.149 1.00 0.00 O ATOM 704 CB PHE A 48 0.030 -1.532 8.414 1.00 0.00 C ATOM 705 CG PHE A 48 0.388 -2.016 7.040 1.00 0.00 C ATOM 706 CD1 PHE A 48 -0.507 -2.777 6.308 1.00 0.00 C ATOM 707 CD2 PHE A 48 1.626 -1.728 6.492 1.00 0.00 C ATOM 708 CE1 PHE A 48 -0.175 -3.240 5.051 1.00 0.00 C ATOM 709 CE2 PHE A 48 1.965 -2.190 5.238 1.00 0.00 C ATOM 710 CZ PHE A 48 1.064 -2.948 4.516 1.00 0.00 C ATOM 0 H PHE A 48 -0.710 -1.229 10.775 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.375 -3.516 9.112 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.990 -1.149 8.406 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.681 -0.700 8.684 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.475 -3.011 6.725 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.334 -1.135 7.053 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.883 -3.829 4.487 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.934 -1.959 4.821 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.328 -3.312 3.534 1.00 0.00 H new ATOM 720 N ILE A 49 2.311 -2.181 10.494 1.00 0.00 N ATOM 721 CA ILE A 49 3.722 -2.422 10.794 1.00 0.00 C ATOM 722 C ILE A 49 3.907 -3.778 11.476 1.00 0.00 C ATOM 723 O ILE A 49 4.857 -4.505 11.182 1.00 0.00 O ATOM 724 CB ILE A 49 4.309 -1.317 11.704 1.00 0.00 C ATOM 725 CG1 ILE A 49 4.103 0.064 11.073 1.00 0.00 C ATOM 726 CG2 ILE A 49 5.790 -1.573 11.965 1.00 0.00 C ATOM 727 CD1 ILE A 49 4.561 1.208 11.952 1.00 0.00 C ATOM 0 H ILE A 49 1.919 -1.356 10.948 1.00 0.00 H new ATOM 0 HA ILE A 49 4.255 -2.413 9.843 1.00 0.00 H new ATOM 0 HB ILE A 49 3.783 -1.339 12.658 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.643 0.106 10.127 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.046 0.195 10.843 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.188 -0.787 12.607 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.911 -2.538 12.456 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.331 -1.577 11.019 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.384 2.154 11.440 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.004 1.193 12.889 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.625 1.102 12.161 1.00 0.00 H new ATOM 739 N GLN A 50 2.988 -4.107 12.386 1.00 0.00 N ATOM 740 CA GLN A 50 3.036 -5.372 13.118 1.00 0.00 C ATOM 741 C GLN A 50 2.704 -6.557 12.209 1.00 0.00 C ATOM 742 O GLN A 50 3.274 -7.639 12.359 1.00 0.00 O ATOM 743 CB GLN A 50 2.059 -5.334 14.297 1.00 0.00 C ATOM 744 CG GLN A 50 2.606 -5.972 15.564 1.00 0.00 C ATOM 745 CD GLN A 50 3.737 -5.172 16.183 1.00 0.00 C ATOM 746 OE1 GLN A 50 4.892 -5.601 16.175 1.00 0.00 O ATOM 747 NE2 GLN A 50 3.415 -4.001 16.723 1.00 0.00 N ATOM 0 H GLN A 50 2.198 -3.511 12.634 1.00 0.00 H new ATOM 0 HA GLN A 50 4.052 -5.504 13.490 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.797 -4.297 14.507 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.139 -5.844 14.012 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.800 -6.076 16.291 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.960 -6.977 15.336 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.446 -3.682 16.709 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.137 -3.421 17.152 1.00 0.00 H new ATOM 756 N GLN A 51 1.776 -6.347 11.273 1.00 0.00 N ATOM 757 CA GLN A 51 1.364 -7.401 10.345 1.00 0.00 C ATOM 758 C GLN A 51 2.403 -7.622 9.242 1.00 0.00 C ATOM 759 O GLN A 51 2.590 -8.747 8.777 1.00 0.00 O ATOM 760 CB GLN A 51 0.010 -7.057 9.718 1.00 0.00 C ATOM 761 CG GLN A 51 -1.113 -7.989 10.145 1.00 0.00 C ATOM 762 CD GLN A 51 -1.644 -7.672 11.530 1.00 0.00 C ATOM 763 OE1 GLN A 51 -1.345 -8.374 12.495 1.00 0.00 O ATOM 764 NE2 GLN A 51 -2.433 -6.608 11.638 1.00 0.00 N ATOM 0 H GLN A 51 1.296 -5.457 11.138 1.00 0.00 H new ATOM 0 HA GLN A 51 1.277 -8.325 10.917 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.256 -6.035 9.986 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.103 -7.088 8.632 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.928 -7.923 9.424 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.753 -9.018 10.125 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.656 -6.053 10.812 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.815 -6.347 12.547 1.00 0.00 H new ATOM 773 N CYS A 52 3.064 -6.541 8.818 1.00 0.00 N ATOM 774 CA CYS A 52 4.070 -6.614 7.760 1.00 0.00 C ATOM 775 C CYS A 52 5.361 -7.269 8.253 1.00 0.00 C ATOM 776 O CYS A 52 6.321 -6.582 8.613 1.00 0.00 O ATOM 777 CB CYS A 52 4.372 -5.216 7.208 1.00 0.00 C ATOM 778 SG CYS A 52 3.700 -4.914 5.557 1.00 0.00 S ATOM 0 H CYS A 52 2.918 -5.604 9.194 1.00 0.00 H new ATOM 0 HA CYS A 52 3.660 -7.234 6.963 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.969 -4.471 7.894 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.452 -5.073 7.181 1.00 0.00 H new ATOM 0 HG CYS A 52 2.707 -4.080 5.639 1.00 0.00 H new ATOM 784 N THR A 53 5.382 -8.600 8.253 1.00 0.00 N ATOM 785 CA THR A 53 6.562 -9.348 8.681 1.00 0.00 C ATOM 786 C THR A 53 7.583 -9.422 7.545 1.00 0.00 C ATOM 787 O THR A 53 7.227 -9.302 6.372 1.00 0.00 O ATOM 788 CB THR A 53 6.183 -10.761 9.140 1.00 0.00 C ATOM 789 OG1 THR A 53 5.026 -11.224 8.462 1.00 0.00 O ATOM 790 CG2 THR A 53 5.911 -10.858 10.626 1.00 0.00 C ATOM 0 H THR A 53 4.597 -9.182 7.962 1.00 0.00 H new ATOM 0 HA THR A 53 7.006 -8.822 9.526 1.00 0.00 H new ATOM 0 HB THR A 53 7.050 -11.377 8.903 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.806 -12.128 8.771 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.649 -11.885 10.882 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.803 -10.563 11.179 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.085 -10.197 10.889 1.00 0.00 H new ATOM 798 N ASP A 54 8.850 -9.612 7.901 1.00 0.00 N ATOM 799 CA ASP A 54 9.929 -9.692 6.919 1.00 0.00 C ATOM 800 C ASP A 54 10.056 -11.093 6.308 1.00 0.00 C ATOM 801 O ASP A 54 11.042 -11.388 5.628 1.00 0.00 O ATOM 802 CB ASP A 54 11.252 -9.295 7.577 1.00 0.00 C ATOM 803 CG ASP A 54 11.502 -10.036 8.878 1.00 0.00 C ATOM 804 OD1 ASP A 54 11.072 -9.533 9.938 1.00 0.00 O ATOM 805 OD2 ASP A 54 12.121 -11.120 8.838 1.00 0.00 O ATOM 0 H ASP A 54 9.157 -9.714 8.868 1.00 0.00 H new ATOM 0 HA ASP A 54 9.689 -9.003 6.110 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.071 -9.494 6.886 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.251 -8.222 7.769 1.00 0.00 H new ATOM 810 N ASP A 55 9.070 -11.954 6.553 1.00 0.00 N ATOM 811 CA ASP A 55 9.094 -13.313 6.031 1.00 0.00 C ATOM 812 C ASP A 55 7.796 -13.638 5.299 1.00 0.00 C ATOM 813 O ASP A 55 7.138 -14.636 5.594 1.00 0.00 O ATOM 814 CB ASP A 55 9.318 -14.304 7.170 1.00 0.00 C ATOM 815 CG ASP A 55 8.870 -13.765 8.518 1.00 0.00 C ATOM 816 OD1 ASP A 55 7.645 -13.711 8.759 1.00 0.00 O ATOM 817 OD2 ASP A 55 9.745 -13.392 9.326 1.00 0.00 O ATOM 0 H ASP A 55 8.245 -11.731 7.110 1.00 0.00 H new ATOM 0 HA ASP A 55 9.915 -13.394 5.319 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.777 -15.226 6.955 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.376 -14.560 7.220 1.00 0.00 H new ATOM 822 N VAL A 56 7.443 -12.782 4.346 1.00 0.00 N ATOM 823 CA VAL A 56 6.216 -12.950 3.555 1.00 0.00 C ATOM 824 C VAL A 56 5.976 -11.745 2.648 1.00 0.00 C ATOM 825 O VAL A 56 6.400 -10.632 2.957 1.00 0.00 O ATOM 826 CB VAL A 56 4.959 -13.138 4.445 1.00 0.00 C ATOM 827 CG1 VAL A 56 4.626 -14.614 4.620 1.00 0.00 C ATOM 828 CG2 VAL A 56 5.140 -12.457 5.796 1.00 0.00 C ATOM 0 H VAL A 56 7.989 -11.958 4.097 1.00 0.00 H new ATOM 0 HA VAL A 56 6.368 -13.850 2.959 1.00 0.00 H new ATOM 0 HB VAL A 56 4.118 -12.664 3.939 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.741 -14.715 5.248 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.432 -15.061 3.645 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.466 -15.123 5.092 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.245 -12.604 6.400 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.999 -12.889 6.309 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.306 -11.390 5.646 1.00 0.00 H new ATOM 838 N ARG A 57 5.278 -11.975 1.538 1.00 0.00 N ATOM 839 CA ARG A 57 4.961 -10.908 0.586 1.00 0.00 C ATOM 840 C ARG A 57 3.464 -10.602 0.595 1.00 0.00 C ATOM 841 O ARG A 57 2.640 -11.510 0.726 1.00 0.00 O ATOM 842 CB ARG A 57 5.402 -11.306 -0.827 1.00 0.00 C ATOM 843 CG ARG A 57 4.828 -12.637 -1.298 1.00 0.00 C ATOM 844 CD ARG A 57 3.814 -12.452 -2.415 1.00 0.00 C ATOM 845 NE ARG A 57 2.495 -12.070 -1.908 1.00 0.00 N ATOM 846 CZ ARG A 57 1.501 -11.626 -2.677 1.00 0.00 C ATOM 847 NH1 ARG A 57 1.661 -11.532 -3.992 1.00 0.00 N ATOM 848 NH2 ARG A 57 0.340 -11.286 -2.129 1.00 0.00 N ATOM 0 H ARG A 57 4.919 -12.893 1.274 1.00 0.00 H new ATOM 0 HA ARG A 57 5.502 -10.012 0.889 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.102 -10.524 -1.525 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.490 -11.359 -0.856 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.637 -13.279 -1.645 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.355 -13.146 -0.458 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.171 -11.687 -3.105 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.729 -13.379 -2.983 1.00 0.00 H new ATOM 0 HE ARG A 57 2.326 -12.148 -0.905 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.548 -11.800 -4.418 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.897 -11.192 -4.576 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.210 -11.365 -1.120 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.421 -10.946 -2.717 1.00 0.00 H new ATOM 862 N LEU A 58 3.115 -9.325 0.447 1.00 0.00 N ATOM 863 CA LEU A 58 1.707 -8.915 0.433 1.00 0.00 C ATOM 864 C LEU A 58 1.528 -7.538 -0.209 1.00 0.00 C ATOM 865 O LEU A 58 2.502 -6.890 -0.592 1.00 0.00 O ATOM 866 CB LEU A 58 1.133 -8.917 1.855 1.00 0.00 C ATOM 867 CG LEU A 58 1.941 -8.134 2.892 1.00 0.00 C ATOM 868 CD1 LEU A 58 1.581 -6.657 2.845 1.00 0.00 C ATOM 869 CD2 LEU A 58 1.703 -8.698 4.285 1.00 0.00 C ATOM 0 H LEU A 58 3.780 -8.560 0.336 1.00 0.00 H new ATOM 0 HA LEU A 58 1.159 -9.638 -0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.124 -8.507 1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.046 -9.950 2.192 1.00 0.00 H new ATOM 0 HG LEU A 58 3.000 -8.236 2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.165 -6.116 3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.800 -6.261 1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.519 -6.534 3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.285 -8.131 5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.644 -8.625 4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.010 -9.744 4.312 1.00 0.00 H new ATOM 881 N PHE A 59 0.274 -7.099 -0.322 1.00 0.00 N ATOM 882 CA PHE A 59 -0.039 -5.801 -0.917 1.00 0.00 C ATOM 883 C PHE A 59 -0.688 -4.872 0.109 1.00 0.00 C ATOM 884 O PHE A 59 -1.234 -5.329 1.114 1.00 0.00 O ATOM 885 CB PHE A 59 -0.958 -5.983 -2.126 1.00 0.00 C ATOM 886 CG PHE A 59 -0.224 -6.366 -3.378 1.00 0.00 C ATOM 887 CD1 PHE A 59 0.336 -7.628 -3.513 1.00 0.00 C ATOM 888 CD2 PHE A 59 -0.091 -5.464 -4.419 1.00 0.00 C ATOM 889 CE1 PHE A 59 1.015 -7.980 -4.663 1.00 0.00 C ATOM 890 CE2 PHE A 59 0.587 -5.810 -5.572 1.00 0.00 C ATOM 891 CZ PHE A 59 1.140 -7.070 -5.695 1.00 0.00 C ATOM 0 H PHE A 59 -0.542 -7.625 -0.009 1.00 0.00 H new ATOM 0 HA PHE A 59 0.893 -5.342 -1.248 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.699 -6.750 -1.898 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.503 -5.056 -2.302 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.240 -8.343 -2.710 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.522 -4.478 -4.329 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.448 -8.965 -4.755 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.685 -5.096 -6.376 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.669 -7.343 -6.596 1.00 0.00 H new ATOM 901 N ALA A 60 -0.622 -3.565 -0.151 1.00 0.00 N ATOM 902 CA ALA A 60 -1.197 -2.573 0.752 1.00 0.00 C ATOM 903 C ALA A 60 -1.708 -1.353 -0.006 1.00 0.00 C ATOM 904 O ALA A 60 -1.365 -1.140 -1.172 1.00 0.00 O ATOM 905 CB ALA A 60 -0.168 -2.149 1.793 1.00 0.00 C ATOM 0 H ALA A 60 -0.176 -3.171 -0.980 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.047 -3.035 1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.609 -1.409 2.460 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.144 -3.019 2.371 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.698 -1.716 1.293 1.00 0.00 H new ATOM 911 N PHE A 61 -2.528 -0.555 0.672 1.00 0.00 N ATOM 912 CA PHE A 61 -3.099 0.654 0.087 1.00 0.00 C ATOM 913 C PHE A 61 -3.361 1.694 1.174 1.00 0.00 C ATOM 914 O PHE A 61 -4.096 1.431 2.126 1.00 0.00 O ATOM 915 CB PHE A 61 -4.399 0.314 -0.644 1.00 0.00 C ATOM 916 CG PHE A 61 -4.638 1.140 -1.874 1.00 0.00 C ATOM 917 CD1 PHE A 61 -5.320 2.344 -1.794 1.00 0.00 C ATOM 918 CD2 PHE A 61 -4.190 0.707 -3.111 1.00 0.00 C ATOM 919 CE1 PHE A 61 -5.549 3.102 -2.925 1.00 0.00 C ATOM 920 CE2 PHE A 61 -4.419 1.461 -4.247 1.00 0.00 C ATOM 921 CZ PHE A 61 -5.099 2.660 -4.153 1.00 0.00 C ATOM 0 H PHE A 61 -2.814 -0.726 1.636 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.389 1.070 -0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.383 -0.740 -0.923 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.236 0.449 0.041 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.676 2.693 -0.836 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.657 -0.229 -3.189 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.080 4.040 -2.849 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.067 1.113 -5.207 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.278 3.251 -5.039 1.00 0.00 H new ATOM 931 N VAL A 62 -2.749 2.870 1.035 1.00 0.00 N ATOM 932 CA VAL A 62 -2.914 3.939 2.020 1.00 0.00 C ATOM 933 C VAL A 62 -3.398 5.234 1.369 1.00 0.00 C ATOM 934 O VAL A 62 -2.875 5.657 0.335 1.00 0.00 O ATOM 935 CB VAL A 62 -1.595 4.216 2.779 1.00 0.00 C ATOM 936 CG1 VAL A 62 -1.811 5.242 3.884 1.00 0.00 C ATOM 937 CG2 VAL A 62 -1.019 2.927 3.350 1.00 0.00 C ATOM 0 H VAL A 62 -2.137 3.106 0.254 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.668 3.595 2.728 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.877 4.626 2.069 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.870 5.421 4.404 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.168 6.175 3.449 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.550 4.865 4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.092 3.146 3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.735 2.483 4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.817 2.228 2.538 1.00 0.00 H new ATOM 947 N ARG A 63 -4.393 5.864 1.995 1.00 0.00 N ATOM 948 CA ARG A 63 -4.946 7.122 1.498 1.00 0.00 C ATOM 949 C ARG A 63 -4.243 8.305 2.159 1.00 0.00 C ATOM 950 O ARG A 63 -4.360 8.507 3.370 1.00 0.00 O ATOM 951 CB ARG A 63 -6.453 7.190 1.764 1.00 0.00 C ATOM 952 CG ARG A 63 -7.149 8.337 1.046 1.00 0.00 C ATOM 953 CD ARG A 63 -8.321 8.876 1.854 1.00 0.00 C ATOM 954 NE ARG A 63 -9.531 9.007 1.042 1.00 0.00 N ATOM 955 CZ ARG A 63 -9.709 9.944 0.107 1.00 0.00 C ATOM 956 NH1 ARG A 63 -8.758 10.839 -0.144 1.00 0.00 N ATOM 957 NH2 ARG A 63 -10.842 9.981 -0.583 1.00 0.00 N ATOM 0 H ARG A 63 -4.833 5.522 2.849 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.781 7.169 0.422 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.910 6.250 1.456 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.620 7.290 2.837 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.434 9.139 0.862 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.503 7.996 0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.519 8.211 2.695 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.057 9.848 2.272 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.287 8.340 1.200 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.883 10.814 0.380 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.904 11.551 -0.860 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.574 9.295 -0.399 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.981 10.695 -1.298 1.00 0.00 H new ATOM 971 N PHE A 64 -3.507 9.075 1.362 1.00 0.00 N ATOM 972 CA PHE A 64 -2.776 10.230 1.874 1.00 0.00 C ATOM 973 C PHE A 64 -3.566 11.519 1.678 1.00 0.00 C ATOM 974 O PHE A 64 -4.246 11.694 0.667 1.00 0.00 O ATOM 975 CB PHE A 64 -1.413 10.343 1.189 1.00 0.00 C ATOM 976 CG PHE A 64 -0.522 9.160 1.439 1.00 0.00 C ATOM 977 CD1 PHE A 64 -0.657 8.006 0.687 1.00 0.00 C ATOM 978 CD2 PHE A 64 0.445 9.204 2.429 1.00 0.00 C ATOM 979 CE1 PHE A 64 0.156 6.914 0.917 1.00 0.00 C ATOM 980 CE2 PHE A 64 1.262 8.115 2.665 1.00 0.00 C ATOM 981 CZ PHE A 64 1.117 6.968 1.908 1.00 0.00 C ATOM 0 H PHE A 64 -3.401 8.920 0.359 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.628 10.082 2.944 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.562 10.456 0.115 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.913 11.246 1.538 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.407 7.959 -0.089 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.562 10.099 3.023 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.041 6.019 0.323 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.013 8.160 3.440 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.754 6.115 2.091 1.00 0.00 H new ATOM 991 N THR A 65 -3.463 12.417 2.655 1.00 0.00 N ATOM 992 CA THR A 65 -4.160 13.698 2.603 1.00 0.00 C ATOM 993 C THR A 65 -3.398 14.755 3.403 1.00 0.00 C ATOM 994 O THR A 65 -3.427 14.754 4.635 1.00 0.00 O ATOM 995 CB THR A 65 -5.593 13.556 3.133 1.00 0.00 C ATOM 996 OG1 THR A 65 -6.252 14.810 3.152 1.00 0.00 O ATOM 997 CG2 THR A 65 -5.671 12.976 4.531 1.00 0.00 C ATOM 0 H THR A 65 -2.901 12.279 3.495 1.00 0.00 H new ATOM 0 HA THR A 65 -4.208 14.019 1.563 1.00 0.00 H new ATOM 0 HB THR A 65 -6.079 12.863 2.446 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.164 14.695 3.492 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.714 12.906 4.838 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.223 11.982 4.538 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.132 13.622 5.224 1.00 0.00 H new ATOM 1005 N THR A 66 -2.712 15.648 2.693 1.00 0.00 N ATOM 1006 CA THR A 66 -1.938 16.707 3.335 1.00 0.00 C ATOM 1007 C THR A 66 -2.598 18.069 3.122 1.00 0.00 C ATOM 1008 O THR A 66 -2.378 18.725 2.101 1.00 0.00 O ATOM 1009 CB THR A 66 -0.500 16.722 2.802 1.00 0.00 C ATOM 1010 OG1 THR A 66 -0.482 16.658 1.384 1.00 0.00 O ATOM 1011 CG2 THR A 66 0.346 15.580 3.327 1.00 0.00 C ATOM 0 H THR A 66 -2.677 15.659 1.674 1.00 0.00 H new ATOM 0 HA THR A 66 -1.910 16.504 4.406 1.00 0.00 H new ATOM 0 HB THR A 66 -0.074 17.661 3.156 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.119 17.307 1.019 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.351 15.650 2.911 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.399 15.636 4.414 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.102 14.631 3.034 1.00 0.00 H new ATOM 1019 N GLY A 67 -3.412 18.484 4.091 1.00 0.00 N ATOM 1020 CA GLY A 67 -4.095 19.762 3.995 1.00 0.00 C ATOM 1021 C GLY A 67 -4.573 20.276 5.339 1.00 0.00 C ATOM 1022 O GLY A 67 -4.949 19.492 6.213 1.00 0.00 O ATOM 0 H GLY A 67 -3.610 17.956 4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.423 20.495 3.549 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.949 19.663 3.325 1.00 0.00 H new ATOM 1026 N ASP A 68 -4.566 21.600 5.500 1.00 0.00 N ATOM 1027 CA ASP A 68 -5.009 22.225 6.746 1.00 0.00 C ATOM 1028 C ASP A 68 -5.551 23.633 6.490 1.00 0.00 C ATOM 1029 O ASP A 68 -4.856 24.626 6.712 1.00 0.00 O ATOM 1030 CB ASP A 68 -3.856 22.280 7.753 1.00 0.00 C ATOM 1031 CG ASP A 68 -4.334 22.158 9.187 1.00 0.00 C ATOM 1032 OD1 ASP A 68 -4.812 21.067 9.563 1.00 0.00 O ATOM 1033 OD2 ASP A 68 -4.233 23.155 9.934 1.00 0.00 O ATOM 0 H ASP A 68 -4.259 22.259 4.784 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.814 21.618 7.161 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.151 21.477 7.538 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.316 23.219 7.632 1.00 0.00 H new ATOM 1038 N ALA A 69 -6.801 23.706 6.024 1.00 0.00 N ATOM 1039 CA ALA A 69 -7.460 24.984 5.734 1.00 0.00 C ATOM 1040 C ALA A 69 -6.520 25.972 5.048 1.00 0.00 C ATOM 1041 O ALA A 69 -6.218 27.043 5.579 1.00 0.00 O ATOM 1042 CB ALA A 69 -8.019 25.590 7.002 1.00 0.00 C ATOM 0 H ALA A 69 -7.381 22.888 5.838 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.278 24.776 5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.505 26.538 6.769 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.747 24.908 7.441 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.209 25.762 7.711 1.00 0.00 H new ATOM 1048 N MET A 70 -6.070 25.593 3.866 1.00 0.00 N ATOM 1049 CA MET A 70 -5.160 26.421 3.073 1.00 0.00 C ATOM 1050 C MET A 70 -4.830 25.738 1.748 1.00 0.00 C ATOM 1051 O MET A 70 -4.884 26.359 0.686 1.00 0.00 O ATOM 1052 CB MET A 70 -3.871 26.695 3.858 1.00 0.00 C ATOM 1053 CG MET A 70 -2.873 27.570 3.115 1.00 0.00 C ATOM 1054 SD MET A 70 -2.554 29.131 3.961 1.00 0.00 S ATOM 1055 CE MET A 70 -0.763 29.141 4.001 1.00 0.00 C ATOM 0 H MET A 70 -6.319 24.708 3.424 1.00 0.00 H new ATOM 0 HA MET A 70 -5.654 27.369 2.862 1.00 0.00 H new ATOM 0 HB2 MET A 70 -4.127 27.174 4.803 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.396 25.745 4.101 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.936 27.026 2.998 1.00 0.00 H new ATOM 0 HG3 MET A 70 -3.250 27.775 2.113 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.415 30.048 4.496 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.406 28.269 4.549 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.376 29.112 2.982 1.00 0.00 H new ATOM 1065 N SER A 71 -4.496 24.450 1.827 1.00 0.00 N ATOM 1066 CA SER A 71 -4.160 23.660 0.646 1.00 0.00 C ATOM 1067 C SER A 71 -4.336 22.172 0.936 1.00 0.00 C ATOM 1068 O SER A 71 -3.476 21.546 1.559 1.00 0.00 O ATOM 1069 CB SER A 71 -2.721 23.946 0.202 1.00 0.00 C ATOM 1070 OG SER A 71 -2.679 24.986 -0.759 1.00 0.00 O ATOM 0 H SER A 71 -4.451 23.930 2.703 1.00 0.00 H new ATOM 0 HA SER A 71 -4.836 23.942 -0.162 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.119 24.222 1.067 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.280 23.042 -0.217 1.00 0.00 H new ATOM 0 HG SER A 71 -3.345 25.668 -0.532 1.00 0.00 H new ATOM 1076 N LYS A 72 -5.459 21.614 0.492 1.00 0.00 N ATOM 1077 CA LYS A 72 -5.753 20.202 0.711 1.00 0.00 C ATOM 1078 C LYS A 72 -5.288 19.354 -0.471 1.00 0.00 C ATOM 1079 O LYS A 72 -5.620 19.646 -1.621 1.00 0.00 O ATOM 1080 CB LYS A 72 -7.253 20.001 0.941 1.00 0.00 C ATOM 1081 CG LYS A 72 -7.608 19.610 2.366 1.00 0.00 C ATOM 1082 CD LYS A 72 -8.770 18.630 2.397 1.00 0.00 C ATOM 1083 CE LYS A 72 -8.938 18.003 3.773 1.00 0.00 C ATOM 1084 NZ LYS A 72 -9.630 16.685 3.702 1.00 0.00 N ATOM 0 H LYS A 72 -6.181 22.119 -0.022 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.209 19.879 1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.777 20.922 0.686 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.615 19.229 0.262 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.740 19.163 2.850 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.867 20.502 2.936 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.689 19.145 2.117 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.606 17.847 1.657 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.959 17.875 4.236 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.507 18.678 4.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.725 16.291 4.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.574 16.811 3.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.075 16.033 3.113 1.00 0.00 H new ATOM 1098 N ARG A 73 -4.519 18.304 -0.180 1.00 0.00 N ATOM 1099 CA ARG A 73 -4.012 17.416 -1.222 1.00 0.00 C ATOM 1100 C ARG A 73 -4.212 15.949 -0.844 1.00 0.00 C ATOM 1101 O ARG A 73 -3.463 15.399 -0.034 1.00 0.00 O ATOM 1102 CB ARG A 73 -2.528 17.690 -1.482 1.00 0.00 C ATOM 1103 CG ARG A 73 -2.174 17.742 -2.960 1.00 0.00 C ATOM 1104 CD ARG A 73 -0.706 18.076 -3.172 1.00 0.00 C ATOM 1105 NE ARG A 73 -0.486 19.512 -3.346 1.00 0.00 N ATOM 1106 CZ ARG A 73 0.635 20.042 -3.840 1.00 0.00 C ATOM 1107 NH1 ARG A 73 1.645 19.259 -4.211 1.00 0.00 N ATOM 1108 NH2 ARG A 73 0.747 21.359 -3.964 1.00 0.00 N ATOM 0 H ARG A 73 -4.235 18.050 0.766 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.577 17.615 -2.133 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.254 18.637 -1.017 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.933 16.914 -1.000 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.400 16.781 -3.423 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.793 18.489 -3.457 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.128 17.722 -2.319 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.337 17.545 -4.049 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.236 20.147 -3.073 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.566 18.246 -4.119 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.498 19.672 -4.588 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.023 21.965 -3.682 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.603 21.765 -4.341 1.00 0.00 H new ATOM 1122 N SER A 74 -5.222 15.319 -1.444 1.00 0.00 N ATOM 1123 CA SER A 74 -5.519 13.913 -1.181 1.00 0.00 C ATOM 1124 C SER A 74 -5.117 13.046 -2.370 1.00 0.00 C ATOM 1125 O SER A 74 -5.510 13.318 -3.506 1.00 0.00 O ATOM 1126 CB SER A 74 -7.009 13.725 -0.878 1.00 0.00 C ATOM 1127 OG SER A 74 -7.208 13.291 0.456 1.00 0.00 O ATOM 0 H SER A 74 -5.848 15.762 -2.116 1.00 0.00 H new ATOM 0 HA SER A 74 -4.941 13.603 -0.310 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.538 14.664 -1.041 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.434 12.996 -1.568 1.00 0.00 H new ATOM 0 HG SER A 74 -8.162 13.333 0.675 1.00 0.00 H new ATOM 1133 N LYS A 75 -4.329 12.005 -2.105 1.00 0.00 N ATOM 1134 CA LYS A 75 -3.869 11.100 -3.158 1.00 0.00 C ATOM 1135 C LYS A 75 -3.773 9.662 -2.653 1.00 0.00 C ATOM 1136 O LYS A 75 -3.641 9.421 -1.451 1.00 0.00 O ATOM 1137 CB LYS A 75 -2.505 11.553 -3.687 1.00 0.00 C ATOM 1138 CG LYS A 75 -2.540 12.891 -4.410 1.00 0.00 C ATOM 1139 CD LYS A 75 -1.785 12.837 -5.728 1.00 0.00 C ATOM 1140 CE LYS A 75 -0.319 13.205 -5.549 1.00 0.00 C ATOM 1141 NZ LYS A 75 0.505 12.036 -5.132 1.00 0.00 N ATOM 0 H LYS A 75 -3.996 11.767 -1.171 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.601 11.131 -3.965 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.806 11.619 -2.853 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.119 10.793 -4.367 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.575 13.178 -4.595 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.105 13.661 -3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.860 11.835 -6.150 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.248 13.519 -6.441 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.070 13.607 -6.484 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.232 13.994 -4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.950 12.235 -4.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.102 11.196 -5.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.243 11.860 -5.843 1.00 0.00 H new ATOM 1155 N PHE A 76 -3.833 8.711 -3.584 1.00 0.00 N ATOM 1156 CA PHE A 76 -3.747 7.293 -3.244 1.00 0.00 C ATOM 1157 C PHE A 76 -2.433 6.700 -3.744 1.00 0.00 C ATOM 1158 O PHE A 76 -1.998 6.990 -4.860 1.00 0.00 O ATOM 1159 CB PHE A 76 -4.926 6.520 -3.844 1.00 0.00 C ATOM 1160 CG PHE A 76 -6.251 7.205 -3.664 1.00 0.00 C ATOM 1161 CD1 PHE A 76 -7.003 6.999 -2.520 1.00 0.00 C ATOM 1162 CD2 PHE A 76 -6.741 8.057 -4.642 1.00 0.00 C ATOM 1163 CE1 PHE A 76 -8.220 7.631 -2.353 1.00 0.00 C ATOM 1164 CE2 PHE A 76 -7.957 8.691 -4.480 1.00 0.00 C ATOM 1165 CZ PHE A 76 -8.697 8.478 -3.334 1.00 0.00 C ATOM 0 H PHE A 76 -3.941 8.898 -4.581 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.784 7.204 -2.158 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.746 6.369 -4.909 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.972 5.532 -3.386 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.634 6.337 -1.750 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.166 8.227 -5.540 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.798 7.463 -1.456 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.329 9.352 -5.249 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.648 8.973 -3.205 1.00 0.00 H new ATOM 1175 N ALA A 77 -1.806 5.872 -2.914 1.00 0.00 N ATOM 1176 CA ALA A 77 -0.542 5.242 -3.274 1.00 0.00 C ATOM 1177 C ALA A 77 -0.562 3.747 -2.969 1.00 0.00 C ATOM 1178 O ALA A 77 -0.891 3.335 -1.854 1.00 0.00 O ATOM 1179 CB ALA A 77 0.611 5.918 -2.549 1.00 0.00 C ATOM 0 H ALA A 77 -2.153 5.622 -1.988 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.400 5.362 -4.348 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.548 5.437 -2.828 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.648 6.972 -2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.465 5.831 -1.472 1.00 0.00 H new ATOM 1185 N LEU A 78 -0.202 2.941 -3.966 1.00 0.00 N ATOM 1186 CA LEU A 78 -0.169 1.492 -3.809 1.00 0.00 C ATOM 1187 C LEU A 78 1.201 1.041 -3.318 1.00 0.00 C ATOM 1188 O LEU A 78 2.230 1.462 -3.850 1.00 0.00 O ATOM 1189 CB LEU A 78 -0.506 0.798 -5.133 1.00 0.00 C ATOM 1190 CG LEU A 78 -1.292 -0.507 -4.997 1.00 0.00 C ATOM 1191 CD1 LEU A 78 -1.856 -0.933 -6.344 1.00 0.00 C ATOM 1192 CD2 LEU A 78 -0.409 -1.603 -4.415 1.00 0.00 C ATOM 0 H LEU A 78 0.071 3.270 -4.892 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.918 1.212 -3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.080 1.488 -5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.423 0.591 -5.664 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.125 -0.338 -4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.412 -1.863 -6.228 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.522 -0.157 -6.722 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.039 -1.084 -7.049 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.984 -2.524 -4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.444 -1.771 -5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.054 -1.300 -3.430 1.00 0.00 H new ATOM 1204 N ILE A 79 1.211 0.190 -2.296 1.00 0.00 N ATOM 1205 CA ILE A 79 2.460 -0.306 -1.731 1.00 0.00 C ATOM 1206 C ILE A 79 2.512 -1.831 -1.742 1.00 0.00 C ATOM 1207 O ILE A 79 1.627 -2.497 -1.207 1.00 0.00 O ATOM 1208 CB ILE A 79 2.663 0.196 -0.285 1.00 0.00 C ATOM 1209 CG1 ILE A 79 2.458 1.712 -0.206 1.00 0.00 C ATOM 1210 CG2 ILE A 79 4.051 -0.178 0.216 1.00 0.00 C ATOM 1211 CD1 ILE A 79 2.064 2.197 1.172 1.00 0.00 C ATOM 0 H ILE A 79 0.370 -0.169 -1.844 1.00 0.00 H new ATOM 0 HA ILE A 79 3.262 0.082 -2.359 1.00 0.00 H new ATOM 0 HB ILE A 79 1.921 -0.285 0.353 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.378 2.211 -0.509 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.687 2.004 -0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.179 0.183 1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.165 -1.262 0.197 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.805 0.277 -0.427 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.936 3.279 1.154 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.127 1.726 1.470 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.845 1.936 1.887 1.00 0.00 H new ATOM 1223 N THR A 80 3.566 -2.375 -2.348 1.00 0.00 N ATOM 1224 CA THR A 80 3.751 -3.820 -2.423 1.00 0.00 C ATOM 1225 C THR A 80 4.862 -4.257 -1.470 1.00 0.00 C ATOM 1226 O THR A 80 6.004 -3.815 -1.594 1.00 0.00 O ATOM 1227 CB THR A 80 4.090 -4.247 -3.853 1.00 0.00 C ATOM 1228 OG1 THR A 80 3.224 -3.624 -4.786 1.00 0.00 O ATOM 1229 CG2 THR A 80 3.995 -5.742 -4.069 1.00 0.00 C ATOM 0 H THR A 80 4.306 -1.834 -2.795 1.00 0.00 H new ATOM 0 HA THR A 80 2.819 -4.303 -2.129 1.00 0.00 H new ATOM 0 HB THR A 80 5.123 -3.936 -4.007 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.489 -4.233 -5.007 1.00 0.00 H new ATOM 0 HG21 THR A 80 4.248 -5.977 -5.103 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.690 -6.251 -3.401 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.979 -6.076 -3.859 1.00 0.00 H new ATOM 1237 N TRP A 81 4.518 -5.118 -0.515 1.00 0.00 N ATOM 1238 CA TRP A 81 5.489 -5.602 0.461 1.00 0.00 C ATOM 1239 C TRP A 81 6.032 -6.975 0.076 1.00 0.00 C ATOM 1240 O TRP A 81 5.281 -7.860 -0.334 1.00 0.00 O ATOM 1241 CB TRP A 81 4.855 -5.662 1.856 1.00 0.00 C ATOM 1242 CG TRP A 81 5.772 -6.218 2.904 1.00 0.00 C ATOM 1243 CD1 TRP A 81 5.513 -7.255 3.753 1.00 0.00 C ATOM 1244 CD2 TRP A 81 7.098 -5.768 3.212 1.00 0.00 C ATOM 1245 NE1 TRP A 81 6.594 -7.476 4.570 1.00 0.00 N ATOM 1246 CE2 TRP A 81 7.580 -6.577 4.258 1.00 0.00 C ATOM 1247 CE3 TRP A 81 7.923 -4.761 2.703 1.00 0.00 C ATOM 1248 CZ2 TRP A 81 8.851 -6.410 4.803 1.00 0.00 C ATOM 1249 CZ3 TRP A 81 9.183 -4.597 3.246 1.00 0.00 C ATOM 1250 CH2 TRP A 81 9.636 -5.416 4.287 1.00 0.00 C ATOM 0 H TRP A 81 3.577 -5.493 -0.397 1.00 0.00 H new ATOM 0 HA TRP A 81 6.324 -4.901 0.474 1.00 0.00 H new ATOM 0 HB2 TRP A 81 4.546 -4.659 2.150 1.00 0.00 H new ATOM 0 HB3 TRP A 81 3.954 -6.273 1.811 1.00 0.00 H new ATOM 0 HD1 TRP A 81 4.592 -7.819 3.778 1.00 0.00 H new ATOM 0 HE1 TRP A 81 6.654 -8.193 5.293 1.00 0.00 H new ATOM 0 HE3 TRP A 81 7.582 -4.123 1.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 9.204 -7.043 5.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 9.830 -3.823 2.860 1.00 0.00 H new ATOM 0 HH2 TRP A 81 10.625 -5.260 4.691 1.00 0.00 H new ATOM 1261 N ILE A 82 7.343 -7.146 0.232 1.00 0.00 N ATOM 1262 CA ILE A 82 8.004 -8.409 -0.075 1.00 0.00 C ATOM 1263 C ILE A 82 9.021 -8.743 1.015 1.00 0.00 C ATOM 1264 O ILE A 82 10.195 -8.380 0.921 1.00 0.00 O ATOM 1265 CB ILE A 82 8.706 -8.370 -1.451 1.00 0.00 C ATOM 1266 CG1 ILE A 82 7.732 -7.908 -2.540 1.00 0.00 C ATOM 1267 CG2 ILE A 82 9.276 -9.739 -1.798 1.00 0.00 C ATOM 1268 CD1 ILE A 82 8.391 -7.673 -3.884 1.00 0.00 C ATOM 0 H ILE A 82 7.971 -6.418 0.572 1.00 0.00 H new ATOM 0 HA ILE A 82 7.237 -9.183 -0.114 1.00 0.00 H new ATOM 0 HB ILE A 82 9.527 -7.655 -1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.948 -8.656 -2.655 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.248 -6.987 -2.216 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.767 -9.693 -2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.001 -10.034 -1.039 1.00 0.00 H new ATOM 0 HG23 ILE A 82 8.469 -10.471 -1.833 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.641 -7.348 -4.605 1.00 0.00 H new ATOM 0 HD12 ILE A 82 9.156 -6.903 -3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.851 -8.599 -4.231 1.00 0.00 H new ATOM 1280 N GLY A 83 8.547 -9.412 2.064 1.00 0.00 N ATOM 1281 CA GLY A 83 9.402 -9.768 3.184 1.00 0.00 C ATOM 1282 C GLY A 83 10.530 -10.715 2.814 1.00 0.00 C ATOM 1283 O GLY A 83 10.294 -11.902 2.603 1.00 0.00 O ATOM 0 H GLY A 83 7.578 -9.716 2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.827 -8.859 3.608 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.793 -10.228 3.962 1.00 0.00 H new ATOM 1287 N GLU A 84 11.748 -10.156 2.767 1.00 0.00 N ATOM 1288 CA GLU A 84 13.006 -10.867 2.452 1.00 0.00 C ATOM 1289 C GLU A 84 12.860 -12.357 2.138 1.00 0.00 C ATOM 1290 O GLU A 84 13.154 -12.789 1.023 1.00 0.00 O ATOM 1291 CB GLU A 84 13.966 -10.722 3.623 1.00 0.00 C ATOM 1292 CG GLU A 84 14.550 -9.326 3.773 1.00 0.00 C ATOM 1293 CD GLU A 84 15.961 -9.220 3.227 1.00 0.00 C ATOM 1294 OE1 GLU A 84 16.912 -9.472 3.995 1.00 0.00 O ATOM 1295 OE2 GLU A 84 16.113 -8.884 2.034 1.00 0.00 O ATOM 0 H GLU A 84 11.895 -9.164 2.953 1.00 0.00 H new ATOM 0 HA GLU A 84 13.376 -10.400 1.539 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.444 -10.988 4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.781 -11.435 3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.910 -8.611 3.256 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.551 -9.048 4.827 1.00 0.00 H new ATOM 1302 N ASN A 85 12.438 -13.137 3.140 1.00 0.00 N ATOM 1303 CA ASN A 85 12.281 -14.587 3.003 1.00 0.00 C ATOM 1304 C ASN A 85 11.560 -14.971 1.715 1.00 0.00 C ATOM 1305 O ASN A 85 11.694 -16.097 1.235 1.00 0.00 O ATOM 1306 CB ASN A 85 11.530 -15.144 4.211 1.00 0.00 C ATOM 1307 CG ASN A 85 12.426 -15.292 5.426 1.00 0.00 C ATOM 1308 OD1 ASN A 85 12.517 -14.240 6.232 1.00 0.00 O flip ATOM 1309 ND2 ASN A 85 13.031 -16.342 5.637 1.00 0.00 N flip ATOM 0 H ASN A 85 12.197 -12.781 4.065 1.00 0.00 H new ATOM 0 HA ASN A 85 13.279 -15.022 2.957 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.697 -14.484 4.454 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.104 -16.114 3.956 1.00 0.00 H new ATOM 0 HD21 ASN A 85 12.933 -17.126 4.992 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.631 -16.429 6.457 1.00 0.00 H new ATOM 1316 N VAL A 86 10.808 -14.027 1.154 1.00 0.00 N ATOM 1317 CA VAL A 86 10.080 -14.258 -0.087 1.00 0.00 C ATOM 1318 C VAL A 86 11.029 -14.749 -1.186 1.00 0.00 C ATOM 1319 O VAL A 86 11.843 -13.981 -1.704 1.00 0.00 O ATOM 1320 CB VAL A 86 9.366 -12.974 -0.561 1.00 0.00 C ATOM 1321 CG1 VAL A 86 8.807 -13.143 -1.965 1.00 0.00 C ATOM 1322 CG2 VAL A 86 8.262 -12.584 0.413 1.00 0.00 C ATOM 0 H VAL A 86 10.688 -13.092 1.543 1.00 0.00 H new ATOM 0 HA VAL A 86 9.330 -15.024 0.110 1.00 0.00 H new ATOM 0 HB VAL A 86 10.103 -12.171 -0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 86 8.310 -12.223 -2.272 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.620 -13.364 -2.656 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.090 -13.964 -1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.771 -11.677 0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.532 -13.391 0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.693 -12.405 1.398 1.00 0.00 H new ATOM 1332 N SER A 87 10.923 -16.032 -1.526 1.00 0.00 N ATOM 1333 CA SER A 87 11.775 -16.629 -2.552 1.00 0.00 C ATOM 1334 C SER A 87 11.352 -16.187 -3.953 1.00 0.00 C ATOM 1335 O SER A 87 10.325 -15.526 -4.124 1.00 0.00 O ATOM 1336 CB SER A 87 11.734 -18.155 -2.449 1.00 0.00 C ATOM 1337 OG SER A 87 12.721 -18.632 -1.552 1.00 0.00 O ATOM 0 H SER A 87 10.255 -16.678 -1.106 1.00 0.00 H new ATOM 0 HA SER A 87 12.795 -16.284 -2.383 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.748 -18.474 -2.112 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.891 -18.594 -3.434 1.00 0.00 H new ATOM 0 HG SER A 87 12.673 -19.610 -1.502 1.00 0.00 H new ATOM 1343 N GLY A 88 12.155 -16.562 -4.953 1.00 0.00 N ATOM 1344 CA GLY A 88 11.863 -16.205 -6.334 1.00 0.00 C ATOM 1345 C GLY A 88 10.454 -16.584 -6.762 1.00 0.00 C ATOM 1346 O GLY A 88 9.773 -15.797 -7.419 1.00 0.00 O ATOM 0 H GLY A 88 13.006 -17.110 -4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.999 -15.131 -6.462 1.00 0.00 H new ATOM 0 HA3 GLY A 88 12.581 -16.698 -6.990 1.00 0.00 H new ATOM 1350 N LEU A 89 10.015 -17.787 -6.384 1.00 0.00 N ATOM 1351 CA LEU A 89 8.674 -18.258 -6.728 1.00 0.00 C ATOM 1352 C LEU A 89 7.613 -17.260 -6.266 1.00 0.00 C ATOM 1353 O LEU A 89 6.713 -16.901 -7.027 1.00 0.00 O ATOM 1354 CB LEU A 89 8.408 -19.629 -6.097 1.00 0.00 C ATOM 1355 CG LEU A 89 7.260 -20.416 -6.729 1.00 0.00 C ATOM 1356 CD1 LEU A 89 7.755 -21.230 -7.913 1.00 0.00 C ATOM 1357 CD2 LEU A 89 6.602 -21.317 -5.697 1.00 0.00 C ATOM 0 H LEU A 89 10.568 -18.450 -5.841 1.00 0.00 H new ATOM 0 HA LEU A 89 8.618 -18.350 -7.813 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.318 -20.226 -6.163 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.194 -19.490 -5.037 1.00 0.00 H new ATOM 0 HG LEU A 89 6.516 -19.707 -7.091 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.922 -21.783 -8.348 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.178 -20.561 -8.663 1.00 0.00 H new ATOM 0 HD13 LEU A 89 8.520 -21.931 -7.578 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.787 -21.870 -6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.338 -22.018 -5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.208 -20.710 -4.882 1.00 0.00 H new ATOM 1369 N GLN A 90 7.738 -16.805 -5.019 1.00 0.00 N ATOM 1370 CA GLN A 90 6.805 -15.833 -4.456 1.00 0.00 C ATOM 1371 C GLN A 90 6.965 -14.480 -5.148 1.00 0.00 C ATOM 1372 O GLN A 90 5.980 -13.782 -5.400 1.00 0.00 O ATOM 1373 CB GLN A 90 7.037 -15.690 -2.951 1.00 0.00 C ATOM 1374 CG GLN A 90 6.243 -16.681 -2.115 1.00 0.00 C ATOM 1375 CD GLN A 90 6.711 -18.115 -2.301 1.00 0.00 C ATOM 1376 OE1 GLN A 90 7.837 -18.461 -1.943 1.00 0.00 O ATOM 1377 NE2 GLN A 90 5.850 -18.958 -2.863 1.00 0.00 N ATOM 0 H GLN A 90 8.478 -17.096 -4.380 1.00 0.00 H new ATOM 0 HA GLN A 90 5.788 -16.189 -4.621 1.00 0.00 H new ATOM 0 HB2 GLN A 90 8.099 -15.820 -2.742 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.774 -14.677 -2.646 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.326 -16.410 -1.062 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.188 -16.610 -2.380 1.00 0.00 H new ATOM 0 HE21 GLN A 90 4.926 -18.631 -3.145 1.00 0.00 H new ATOM 0 HE22 GLN A 90 6.113 -19.932 -3.012 1.00 0.00 H new ATOM 1386 N ARG A 91 8.214 -14.130 -5.466 1.00 0.00 N ATOM 1387 CA ARG A 91 8.520 -12.874 -6.148 1.00 0.00 C ATOM 1388 C ARG A 91 7.779 -12.788 -7.482 1.00 0.00 C ATOM 1389 O ARG A 91 7.338 -11.712 -7.889 1.00 0.00 O ATOM 1390 CB ARG A 91 10.027 -12.753 -6.387 1.00 0.00 C ATOM 1391 CG ARG A 91 10.752 -11.951 -5.319 1.00 0.00 C ATOM 1392 CD ARG A 91 10.757 -10.467 -5.647 1.00 0.00 C ATOM 1393 NE ARG A 91 11.800 -9.743 -4.920 1.00 0.00 N ATOM 1394 CZ ARG A 91 12.236 -8.529 -5.261 1.00 0.00 C ATOM 1395 NH1 ARG A 91 11.720 -7.900 -6.314 1.00 0.00 N ATOM 1396 NH2 ARG A 91 13.189 -7.940 -4.546 1.00 0.00 N ATOM 0 H ARG A 91 9.032 -14.703 -5.260 1.00 0.00 H new ATOM 0 HA ARG A 91 8.191 -12.053 -5.511 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.460 -13.752 -6.435 1.00 0.00 H new ATOM 0 HB3 ARG A 91 10.196 -12.286 -7.357 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.271 -12.110 -4.354 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.778 -12.308 -5.227 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.905 -10.334 -6.719 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.784 -10.040 -5.404 1.00 0.00 H new ATOM 0 HE ARG A 91 12.218 -10.192 -4.105 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.987 -8.346 -6.866 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.058 -6.972 -6.570 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.587 -8.416 -3.737 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.522 -7.012 -4.807 1.00 0.00 H new ATOM 1410 N ALA A 92 7.641 -13.932 -8.154 1.00 0.00 N ATOM 1411 CA ALA A 92 6.947 -13.995 -9.435 1.00 0.00 C ATOM 1412 C ALA A 92 5.441 -13.808 -9.250 1.00 0.00 C ATOM 1413 O ALA A 92 4.783 -13.147 -10.058 1.00 0.00 O ATOM 1414 CB ALA A 92 7.235 -15.321 -10.124 1.00 0.00 C ATOM 0 H ALA A 92 8.003 -14.828 -7.829 1.00 0.00 H new ATOM 0 HA ALA A 92 7.315 -13.184 -10.063 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.711 -15.356 -11.079 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.307 -15.417 -10.294 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.893 -16.141 -9.493 1.00 0.00 H new ATOM 1420 N LYS A 93 4.906 -14.394 -8.177 1.00 0.00 N ATOM 1421 CA LYS A 93 3.482 -14.297 -7.871 1.00 0.00 C ATOM 1422 C LYS A 93 3.056 -12.841 -7.682 1.00 0.00 C ATOM 1423 O LYS A 93 2.066 -12.398 -8.269 1.00 0.00 O ATOM 1424 CB LYS A 93 3.159 -15.109 -6.615 1.00 0.00 C ATOM 1425 CG LYS A 93 2.909 -16.582 -6.901 1.00 0.00 C ATOM 1426 CD LYS A 93 2.725 -17.383 -5.620 1.00 0.00 C ATOM 1427 CE LYS A 93 3.268 -18.799 -5.764 1.00 0.00 C ATOM 1428 NZ LYS A 93 2.477 -19.790 -4.977 1.00 0.00 N ATOM 0 H LYS A 93 5.442 -14.942 -7.504 1.00 0.00 H new ATOM 0 HA LYS A 93 2.925 -14.705 -8.714 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.984 -15.018 -5.909 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.278 -14.685 -6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.021 -16.686 -7.525 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.746 -16.990 -7.467 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.234 -16.879 -4.798 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.666 -17.423 -5.363 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.260 -19.084 -6.816 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.307 -18.823 -5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.883 -20.739 -5.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.505 -19.535 -3.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.491 -19.788 -5.307 1.00 0.00 H new ATOM 1442 N THR A 94 3.810 -12.102 -6.866 1.00 0.00 N ATOM 1443 CA THR A 94 3.512 -10.693 -6.606 1.00 0.00 C ATOM 1444 C THR A 94 3.573 -9.867 -7.893 1.00 0.00 C ATOM 1445 O THR A 94 2.817 -8.909 -8.056 1.00 0.00 O ATOM 1446 CB THR A 94 4.473 -10.123 -5.554 1.00 0.00 C ATOM 1447 OG1 THR A 94 4.156 -8.773 -5.262 1.00 0.00 O ATOM 1448 CG2 THR A 94 5.929 -10.172 -5.966 1.00 0.00 C ATOM 0 H THR A 94 4.631 -12.456 -6.374 1.00 0.00 H new ATOM 0 HA THR A 94 2.496 -10.633 -6.217 1.00 0.00 H new ATOM 0 HB THR A 94 4.343 -10.761 -4.680 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.183 -8.661 -5.251 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.546 -9.752 -5.172 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.222 -11.207 -6.145 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.069 -9.593 -6.879 1.00 0.00 H new ATOM 1456 N GLY A 95 4.468 -10.247 -8.810 1.00 0.00 N ATOM 1457 CA GLY A 95 4.589 -9.532 -10.069 1.00 0.00 C ATOM 1458 C GLY A 95 3.294 -9.555 -10.862 1.00 0.00 C ATOM 1459 O GLY A 95 2.843 -8.520 -11.357 1.00 0.00 O ATOM 0 H GLY A 95 5.107 -11.034 -8.701 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.876 -8.499 -9.873 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.387 -9.977 -10.664 1.00 0.00 H new ATOM 1463 N THR A 96 2.686 -10.739 -10.971 1.00 0.00 N ATOM 1464 CA THR A 96 1.426 -10.890 -11.694 1.00 0.00 C ATOM 1465 C THR A 96 0.271 -10.290 -10.889 1.00 0.00 C ATOM 1466 O THR A 96 -0.629 -9.667 -11.454 1.00 0.00 O ATOM 1467 CB THR A 96 1.143 -12.367 -11.996 1.00 0.00 C ATOM 1468 OG1 THR A 96 1.675 -13.205 -10.985 1.00 0.00 O ATOM 1469 CG2 THR A 96 1.714 -12.828 -13.320 1.00 0.00 C ATOM 0 H THR A 96 3.047 -11.604 -10.568 1.00 0.00 H new ATOM 0 HA THR A 96 1.514 -10.354 -12.639 1.00 0.00 H new ATOM 0 HB THR A 96 0.057 -12.445 -12.038 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.584 -12.765 -10.114 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.478 -13.881 -13.471 1.00 0.00 H new ATOM 0 HG22 THR A 96 1.280 -12.239 -14.128 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.796 -12.696 -13.315 1.00 0.00 H new ATOM 1477 N ASP A 97 0.310 -10.480 -9.567 1.00 0.00 N ATOM 1478 CA ASP A 97 -0.728 -9.957 -8.679 1.00 0.00 C ATOM 1479 C ASP A 97 -0.853 -8.440 -8.803 1.00 0.00 C ATOM 1480 O ASP A 97 -1.964 -7.906 -8.828 1.00 0.00 O ATOM 1481 CB ASP A 97 -0.433 -10.344 -7.226 1.00 0.00 C ATOM 1482 CG ASP A 97 -0.750 -11.801 -6.930 1.00 0.00 C ATOM 1483 OD1 ASP A 97 -1.707 -12.340 -7.527 1.00 0.00 O ATOM 1484 OD2 ASP A 97 -0.039 -12.403 -6.100 1.00 0.00 O ATOM 0 H ASP A 97 1.051 -10.993 -9.089 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.677 -10.400 -8.980 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.618 -10.154 -7.010 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -1.015 -9.707 -6.560 1.00 0.00 H new ATOM 1489 N LYS A 98 0.288 -7.752 -8.891 1.00 0.00 N ATOM 1490 CA LYS A 98 0.299 -6.293 -9.025 1.00 0.00 C ATOM 1491 C LYS A 98 -0.526 -5.857 -10.234 1.00 0.00 C ATOM 1492 O LYS A 98 -1.169 -4.806 -10.212 1.00 0.00 O ATOM 1493 CB LYS A 98 1.735 -5.776 -9.158 1.00 0.00 C ATOM 1494 CG LYS A 98 1.898 -4.309 -8.781 1.00 0.00 C ATOM 1495 CD LYS A 98 2.863 -3.592 -9.713 1.00 0.00 C ATOM 1496 CE LYS A 98 4.291 -4.088 -9.534 1.00 0.00 C ATOM 1497 NZ LYS A 98 5.235 -3.425 -10.478 1.00 0.00 N ATOM 0 H LYS A 98 1.214 -8.180 -8.872 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.146 -5.867 -8.126 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.388 -6.378 -8.527 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.068 -5.916 -10.186 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.927 -3.815 -8.813 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.260 -4.235 -7.755 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.552 -3.744 -10.746 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.824 -2.519 -9.523 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.613 -3.903 -8.509 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.322 -5.167 -9.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.196 -3.791 -10.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.943 -3.622 -11.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.225 -2.398 -10.314 1.00 0.00 H new ATOM 1511 N THR A 99 -0.513 -6.683 -11.283 1.00 0.00 N ATOM 1512 CA THR A 99 -1.266 -6.398 -12.502 1.00 0.00 C ATOM 1513 C THR A 99 -2.766 -6.545 -12.249 1.00 0.00 C ATOM 1514 O THR A 99 -3.559 -5.698 -12.667 1.00 0.00 O ATOM 1515 CB THR A 99 -0.824 -7.344 -13.623 1.00 0.00 C ATOM 1516 OG1 THR A 99 0.581 -7.288 -13.801 1.00 0.00 O ATOM 1517 CG2 THR A 99 -1.466 -7.044 -14.961 1.00 0.00 C ATOM 0 H THR A 99 0.013 -7.556 -11.310 1.00 0.00 H new ATOM 0 HA THR A 99 -1.065 -5.370 -12.805 1.00 0.00 H new ATOM 0 HB THR A 99 -1.147 -8.334 -13.302 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.844 -7.900 -14.520 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.105 -7.754 -15.705 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.549 -7.130 -14.872 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.207 -6.031 -15.270 1.00 0.00 H new ATOM 1525 N LEU A 100 -3.142 -7.621 -11.552 1.00 0.00 N ATOM 1526 CA LEU A 100 -4.539 -7.885 -11.226 1.00 0.00 C ATOM 1527 C LEU A 100 -5.134 -6.728 -10.427 1.00 0.00 C ATOM 1528 O LEU A 100 -6.208 -6.219 -10.755 1.00 0.00 O ATOM 1529 CB LEU A 100 -4.652 -9.185 -10.421 1.00 0.00 C ATOM 1530 CG LEU A 100 -4.019 -10.418 -11.073 1.00 0.00 C ATOM 1531 CD1 LEU A 100 -4.082 -11.611 -10.132 1.00 0.00 C ATOM 1532 CD2 LEU A 100 -4.711 -10.745 -12.387 1.00 0.00 C ATOM 0 H LEU A 100 -2.491 -8.325 -11.203 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.097 -7.988 -12.157 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.187 -9.031 -9.447 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.707 -9.391 -10.242 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.973 -10.194 -11.280 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.628 -12.478 -10.612 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.541 -11.380 -9.214 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.122 -11.832 -9.894 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.246 -11.624 -12.834 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.766 -10.947 -12.202 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.617 -9.899 -13.068 1.00 0.00 H new ATOM 1544 N VAL A 101 -4.419 -6.314 -9.379 1.00 0.00 N ATOM 1545 CA VAL A 101 -4.860 -5.213 -8.529 1.00 0.00 C ATOM 1546 C VAL A 101 -4.893 -3.898 -9.308 1.00 0.00 C ATOM 1547 O VAL A 101 -5.801 -3.088 -9.127 1.00 0.00 O ATOM 1548 CB VAL A 101 -3.946 -5.052 -7.293 1.00 0.00 C ATOM 1549 CG1 VAL A 101 -4.517 -4.027 -6.321 1.00 0.00 C ATOM 1550 CG2 VAL A 101 -3.743 -6.391 -6.595 1.00 0.00 C ATOM 0 H VAL A 101 -3.529 -6.728 -9.100 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.868 -5.455 -8.191 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.977 -4.691 -7.638 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.855 -3.933 -5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.603 -3.062 -6.820 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.502 -4.352 -5.987 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.097 -6.255 -5.728 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.707 -6.782 -6.271 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.279 -7.095 -7.286 1.00 0.00 H new ATOM 1560 N LYS A 102 -3.902 -3.695 -10.179 1.00 0.00 N ATOM 1561 CA LYS A 102 -3.821 -2.481 -10.992 1.00 0.00 C ATOM 1562 C LYS A 102 -5.043 -2.342 -11.898 1.00 0.00 C ATOM 1563 O LYS A 102 -5.617 -1.258 -12.014 1.00 0.00 O ATOM 1564 CB LYS A 102 -2.546 -2.492 -11.837 1.00 0.00 C ATOM 1565 CG LYS A 102 -2.260 -1.168 -12.531 1.00 0.00 C ATOM 1566 CD LYS A 102 -1.126 -1.300 -13.535 1.00 0.00 C ATOM 1567 CE LYS A 102 0.228 -1.358 -12.845 1.00 0.00 C ATOM 1568 NZ LYS A 102 1.295 -0.685 -13.640 1.00 0.00 N ATOM 0 H LYS A 102 -3.143 -4.358 -10.339 1.00 0.00 H new ATOM 0 HA LYS A 102 -3.796 -1.626 -10.316 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.700 -2.748 -11.199 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -2.626 -3.277 -12.589 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -3.159 -0.821 -13.040 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -2.003 -0.414 -11.787 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -1.270 -2.201 -14.131 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -1.148 -0.455 -14.223 1.00 0.00 H new ATOM 0 HE2 LYS A 102 0.155 -0.886 -11.865 1.00 0.00 H new ATOM 0 HE3 LYS A 102 0.504 -2.399 -12.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 2.200 -0.749 -13.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 1.384 -1.151 -14.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.046 0.315 -13.778 1.00 0.00 H new ATOM 1582 N GLU A 103 -5.436 -3.447 -12.535 1.00 0.00 N ATOM 1583 CA GLU A 103 -6.594 -3.451 -13.428 1.00 0.00 C ATOM 1584 C GLU A 103 -7.853 -3.008 -12.682 1.00 0.00 C ATOM 1585 O GLU A 103 -8.623 -2.187 -13.183 1.00 0.00 O ATOM 1586 CB GLU A 103 -6.801 -4.843 -14.032 1.00 0.00 C ATOM 1587 CG GLU A 103 -7.144 -4.817 -15.513 1.00 0.00 C ATOM 1588 CD GLU A 103 -5.920 -4.655 -16.395 1.00 0.00 C ATOM 1589 OE1 GLU A 103 -5.323 -5.684 -16.779 1.00 0.00 O ATOM 1590 OE2 GLU A 103 -5.557 -3.500 -16.700 1.00 0.00 O ATOM 0 H GLU A 103 -4.969 -4.350 -12.448 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.403 -2.744 -14.235 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.895 -5.431 -13.887 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.600 -5.350 -13.491 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -7.659 -5.740 -15.779 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.837 -3.999 -15.707 1.00 0.00 H new ATOM 1597 N VAL A 104 -8.048 -3.552 -11.479 1.00 0.00 N ATOM 1598 CA VAL A 104 -9.206 -3.208 -10.658 1.00 0.00 C ATOM 1599 C VAL A 104 -9.041 -1.821 -10.037 1.00 0.00 C ATOM 1600 O VAL A 104 -9.991 -1.038 -9.984 1.00 0.00 O ATOM 1601 CB VAL A 104 -9.434 -4.246 -9.537 1.00 0.00 C ATOM 1602 CG1 VAL A 104 -10.722 -3.951 -8.779 1.00 0.00 C ATOM 1603 CG2 VAL A 104 -9.462 -5.658 -10.107 1.00 0.00 C ATOM 0 H VAL A 104 -7.418 -4.232 -11.054 1.00 0.00 H new ATOM 0 HA VAL A 104 -10.075 -3.208 -11.316 1.00 0.00 H new ATOM 0 HB VAL A 104 -8.602 -4.175 -8.837 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.861 -4.695 -7.995 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.662 -2.959 -8.331 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.566 -3.988 -9.468 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -9.624 -6.373 -9.300 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.271 -5.741 -10.833 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.512 -5.872 -10.596 1.00 0.00 H new ATOM 1613 N VAL A 105 -7.826 -1.523 -9.574 1.00 0.00 N ATOM 1614 CA VAL A 105 -7.527 -0.233 -8.959 1.00 0.00 C ATOM 1615 C VAL A 105 -6.730 0.652 -9.917 1.00 0.00 C ATOM 1616 O VAL A 105 -5.524 0.844 -9.751 1.00 0.00 O ATOM 1617 CB VAL A 105 -6.744 -0.403 -7.637 1.00 0.00 C ATOM 1618 CG1 VAL A 105 -6.554 0.939 -6.943 1.00 0.00 C ATOM 1619 CG2 VAL A 105 -7.454 -1.386 -6.716 1.00 0.00 C ATOM 0 H VAL A 105 -7.032 -2.162 -9.615 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.480 0.247 -8.736 1.00 0.00 H new ATOM 0 HB VAL A 105 -5.759 -0.805 -7.876 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -6.001 0.794 -6.015 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.997 1.611 -7.596 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -7.528 1.374 -6.720 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.887 -1.492 -5.791 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.453 -1.015 -6.489 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.530 -2.356 -7.208 1.00 0.00 H new ATOM 1629 N GLN A 106 -7.420 1.185 -10.924 1.00 0.00 N ATOM 1630 CA GLN A 106 -6.792 2.051 -11.920 1.00 0.00 C ATOM 1631 C GLN A 106 -6.571 3.463 -11.373 1.00 0.00 C ATOM 1632 O GLN A 106 -5.667 4.173 -11.818 1.00 0.00 O ATOM 1633 CB GLN A 106 -7.649 2.104 -13.190 1.00 0.00 C ATOM 1634 CG GLN A 106 -7.612 0.818 -14.001 1.00 0.00 C ATOM 1635 CD GLN A 106 -6.299 0.623 -14.742 1.00 0.00 C ATOM 1636 OE1 GLN A 106 -5.410 1.474 -14.692 1.00 0.00 O ATOM 1637 NE2 GLN A 106 -6.171 -0.501 -15.436 1.00 0.00 N ATOM 0 H GLN A 106 -8.417 1.031 -11.072 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.817 1.630 -12.163 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -8.681 2.320 -12.914 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.307 2.929 -13.815 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -7.777 -0.030 -13.336 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.431 0.824 -14.720 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.932 -1.180 -15.451 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -5.312 -0.685 -15.954 1.00 0.00 H new ATOM 1646 N ASN A 107 -7.395 3.866 -10.404 1.00 0.00 N ATOM 1647 CA ASN A 107 -7.281 5.191 -9.798 1.00 0.00 C ATOM 1648 C ASN A 107 -6.162 5.215 -8.755 1.00 0.00 C ATOM 1649 O ASN A 107 -6.410 5.054 -7.558 1.00 0.00 O ATOM 1650 CB ASN A 107 -8.614 5.603 -9.160 1.00 0.00 C ATOM 1651 CG ASN A 107 -9.177 6.879 -9.757 1.00 0.00 C ATOM 1652 OD1 ASN A 107 -8.759 7.981 -9.401 1.00 0.00 O ATOM 1653 ND2 ASN A 107 -10.135 6.737 -10.668 1.00 0.00 N ATOM 0 H ASN A 107 -8.148 3.293 -10.023 1.00 0.00 H new ATOM 0 HA ASN A 107 -7.033 5.906 -10.583 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -9.337 4.797 -9.286 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -8.473 5.739 -8.088 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -10.553 7.560 -11.101 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -10.452 5.805 -10.934 1.00 0.00 H new ATOM 1660 N PHE A 108 -4.927 5.413 -9.218 1.00 0.00 N ATOM 1661 CA PHE A 108 -3.768 5.456 -8.328 1.00 0.00 C ATOM 1662 C PHE A 108 -2.885 6.663 -8.641 1.00 0.00 C ATOM 1663 O PHE A 108 -2.935 7.211 -9.744 1.00 0.00 O ATOM 1664 CB PHE A 108 -2.956 4.160 -8.445 1.00 0.00 C ATOM 1665 CG PHE A 108 -2.433 3.888 -9.830 1.00 0.00 C ATOM 1666 CD1 PHE A 108 -1.313 4.550 -10.303 1.00 0.00 C ATOM 1667 CD2 PHE A 108 -3.061 2.967 -10.654 1.00 0.00 C ATOM 1668 CE1 PHE A 108 -0.828 4.303 -11.572 1.00 0.00 C ATOM 1669 CE2 PHE A 108 -2.581 2.715 -11.925 1.00 0.00 C ATOM 1670 CZ PHE A 108 -1.463 3.383 -12.384 1.00 0.00 C ATOM 0 H PHE A 108 -4.704 5.546 -10.204 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.130 5.553 -7.304 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.115 4.206 -7.753 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.580 3.323 -8.133 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -0.812 5.269 -9.671 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -3.935 2.441 -10.299 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.046 4.828 -11.929 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -3.080 1.996 -12.559 1.00 0.00 H new ATOM 0 HZ PHE A 108 -1.085 3.187 -13.377 1.00 0.00 H new ATOM 1680 N ALA A 109 -2.074 7.073 -7.666 1.00 0.00 N ATOM 1681 CA ALA A 109 -1.181 8.215 -7.842 1.00 0.00 C ATOM 1682 C ALA A 109 0.280 7.775 -7.894 1.00 0.00 C ATOM 1683 O ALA A 109 1.027 8.181 -8.786 1.00 0.00 O ATOM 1684 CB ALA A 109 -1.389 9.231 -6.728 1.00 0.00 C ATOM 0 H ALA A 109 -2.018 6.631 -6.748 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.424 8.684 -8.795 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -0.715 10.075 -6.875 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.421 9.583 -6.744 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.180 8.764 -5.766 1.00 0.00 H new ATOM 1690 N LYS A 110 0.685 6.948 -6.929 1.00 0.00 N ATOM 1691 CA LYS A 110 2.059 6.462 -6.862 1.00 0.00 C ATOM 1692 C LYS A 110 2.109 5.032 -6.328 1.00 0.00 C ATOM 1693 O LYS A 110 1.732 4.775 -5.183 1.00 0.00 O ATOM 1694 CB LYS A 110 2.898 7.387 -5.976 1.00 0.00 C ATOM 1695 CG LYS A 110 4.368 7.431 -6.357 1.00 0.00 C ATOM 1696 CD LYS A 110 5.076 8.617 -5.721 1.00 0.00 C ATOM 1697 CE LYS A 110 5.307 9.739 -6.724 1.00 0.00 C ATOM 1698 NZ LYS A 110 4.192 10.728 -6.723 1.00 0.00 N ATOM 0 H LYS A 110 0.079 6.602 -6.185 1.00 0.00 H new ATOM 0 HA LYS A 110 2.472 6.461 -7.871 1.00 0.00 H new ATOM 0 HB2 LYS A 110 2.488 8.396 -6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 110 2.810 7.061 -4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 110 4.853 6.506 -6.044 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.462 7.489 -7.441 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.482 8.991 -4.887 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.032 8.293 -5.311 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.242 10.247 -6.490 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.415 9.316 -7.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 4.389 11.474 -7.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 3.303 10.249 -6.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 4.105 11.152 -5.777 1.00 0.00 H new ATOM 1712 N GLU A 111 2.579 4.107 -7.163 1.00 0.00 N ATOM 1713 CA GLU A 111 2.681 2.701 -6.780 1.00 0.00 C ATOM 1714 C GLU A 111 4.118 2.202 -6.911 1.00 0.00 C ATOM 1715 O GLU A 111 4.764 2.412 -7.941 1.00 0.00 O ATOM 1716 CB GLU A 111 1.752 1.844 -7.648 1.00 0.00 C ATOM 1717 CG GLU A 111 1.939 2.057 -9.144 1.00 0.00 C ATOM 1718 CD GLU A 111 1.288 0.966 -9.974 1.00 0.00 C ATOM 1719 OE1 GLU A 111 1.656 -0.216 -9.798 1.00 0.00 O ATOM 1720 OE2 GLU A 111 0.414 1.291 -10.805 1.00 0.00 O ATOM 0 H GLU A 111 2.896 4.307 -8.112 1.00 0.00 H new ATOM 0 HA GLU A 111 2.378 2.613 -5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.921 0.792 -7.416 1.00 0.00 H new ATOM 0 HB3 GLU A 111 0.718 2.066 -7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 111 1.518 3.022 -9.425 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.004 2.095 -9.372 1.00 0.00 H new ATOM 1727 N PHE A 112 4.615 1.539 -5.867 1.00 0.00 N ATOM 1728 CA PHE A 112 5.977 1.010 -5.879 1.00 0.00 C ATOM 1729 C PHE A 112 6.145 -0.125 -4.874 1.00 0.00 C ATOM 1730 O PHE A 112 5.412 -0.213 -3.886 1.00 0.00 O ATOM 1731 CB PHE A 112 6.994 2.120 -5.595 1.00 0.00 C ATOM 1732 CG PHE A 112 6.710 2.906 -4.344 1.00 0.00 C ATOM 1733 CD1 PHE A 112 7.225 2.501 -3.121 1.00 0.00 C ATOM 1734 CD2 PHE A 112 5.939 4.056 -4.395 1.00 0.00 C ATOM 1735 CE1 PHE A 112 6.972 3.229 -1.974 1.00 0.00 C ATOM 1736 CE2 PHE A 112 5.684 4.787 -3.251 1.00 0.00 C ATOM 1737 CZ PHE A 112 6.201 4.374 -2.039 1.00 0.00 C ATOM 0 H PHE A 112 4.098 1.357 -5.007 1.00 0.00 H new ATOM 0 HA PHE A 112 6.162 0.610 -6.876 1.00 0.00 H new ATOM 0 HB2 PHE A 112 7.987 1.677 -5.516 1.00 0.00 H new ATOM 0 HB3 PHE A 112 7.017 2.804 -6.444 1.00 0.00 H new ATOM 0 HD1 PHE A 112 7.830 1.608 -3.065 1.00 0.00 H new ATOM 0 HD2 PHE A 112 5.533 4.385 -5.340 1.00 0.00 H new ATOM 0 HE1 PHE A 112 7.377 2.903 -1.027 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.081 5.681 -3.304 1.00 0.00 H new ATOM 0 HZ PHE A 112 6.003 4.945 -1.144 1.00 0.00 H new ATOM 1747 N VAL A 113 7.116 -0.996 -5.140 1.00 0.00 N ATOM 1748 CA VAL A 113 7.397 -2.134 -4.278 1.00 0.00 C ATOM 1749 C VAL A 113 8.413 -1.775 -3.197 1.00 0.00 C ATOM 1750 O VAL A 113 9.203 -0.841 -3.357 1.00 0.00 O ATOM 1751 CB VAL A 113 7.929 -3.326 -5.096 1.00 0.00 C ATOM 1752 CG1 VAL A 113 6.817 -3.952 -5.922 1.00 0.00 C ATOM 1753 CG2 VAL A 113 9.083 -2.896 -5.992 1.00 0.00 C ATOM 0 H VAL A 113 7.725 -0.931 -5.955 1.00 0.00 H new ATOM 0 HA VAL A 113 6.458 -2.414 -3.801 1.00 0.00 H new ATOM 0 HB VAL A 113 8.300 -4.076 -4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 113 7.215 -4.792 -6.492 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.027 -4.305 -5.260 1.00 0.00 H new ATOM 0 HG13 VAL A 113 6.411 -3.209 -6.608 1.00 0.00 H new ATOM 0 HG21 VAL A 113 9.442 -3.754 -6.560 1.00 0.00 H new ATOM 0 HG22 VAL A 113 8.741 -2.123 -6.680 1.00 0.00 H new ATOM 0 HG23 VAL A 113 9.893 -2.502 -5.378 1.00 0.00 H new ATOM 1763 N ILE A 114 8.387 -2.524 -2.097 1.00 0.00 N ATOM 1764 CA ILE A 114 9.302 -2.291 -0.984 1.00 0.00 C ATOM 1765 C ILE A 114 9.828 -3.612 -0.423 1.00 0.00 C ATOM 1766 O ILE A 114 9.087 -4.592 -0.320 1.00 0.00 O ATOM 1767 CB ILE A 114 8.619 -1.488 0.146 1.00 0.00 C ATOM 1768 CG1 ILE A 114 8.005 -0.202 -0.414 1.00 0.00 C ATOM 1769 CG2 ILE A 114 9.615 -1.168 1.251 1.00 0.00 C ATOM 1770 CD1 ILE A 114 7.162 0.558 0.586 1.00 0.00 C ATOM 0 H ILE A 114 7.740 -3.299 -1.953 1.00 0.00 H new ATOM 0 HA ILE A 114 10.138 -1.709 -1.371 1.00 0.00 H new ATOM 0 HB ILE A 114 7.821 -2.097 0.571 1.00 0.00 H new ATOM 0 HG12 ILE A 114 8.806 0.447 -0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.390 -0.451 -1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 114 9.116 -0.602 2.038 1.00 0.00 H new ATOM 0 HG22 ILE A 114 10.009 -2.096 1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 114 10.434 -0.576 0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.762 1.456 0.116 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.339 -0.073 0.922 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.777 0.839 1.441 1.00 0.00 H new ATOM 1782 N SER A 115 11.112 -3.629 -0.068 1.00 0.00 N ATOM 1783 CA SER A 115 11.746 -4.829 0.478 1.00 0.00 C ATOM 1784 C SER A 115 12.390 -4.561 1.844 1.00 0.00 C ATOM 1785 O SER A 115 13.167 -5.379 2.339 1.00 0.00 O ATOM 1786 CB SER A 115 12.801 -5.347 -0.503 1.00 0.00 C ATOM 1787 OG SER A 115 12.948 -6.754 -0.407 1.00 0.00 O ATOM 0 H SER A 115 11.734 -2.825 -0.149 1.00 0.00 H new ATOM 0 HA SER A 115 10.971 -5.582 0.620 1.00 0.00 H new ATOM 0 HB2 SER A 115 12.518 -5.078 -1.520 1.00 0.00 H new ATOM 0 HB3 SER A 115 13.757 -4.865 -0.300 1.00 0.00 H new ATOM 0 HG SER A 115 13.627 -7.056 -1.046 1.00 0.00 H new ATOM 1793 N ASP A 116 12.061 -3.419 2.452 1.00 0.00 N ATOM 1794 CA ASP A 116 12.608 -3.054 3.754 1.00 0.00 C ATOM 1795 C ASP A 116 11.603 -2.225 4.554 1.00 0.00 C ATOM 1796 O ASP A 116 10.854 -1.423 3.993 1.00 0.00 O ATOM 1797 CB ASP A 116 13.921 -2.284 3.577 1.00 0.00 C ATOM 1798 CG ASP A 116 13.734 -0.968 2.846 1.00 0.00 C ATOM 1799 OD1 ASP A 116 13.523 -0.996 1.615 1.00 0.00 O ATOM 1800 OD2 ASP A 116 13.799 0.088 3.505 1.00 0.00 O ATOM 0 H ASP A 116 11.417 -2.732 2.060 1.00 0.00 H new ATOM 0 HA ASP A 116 12.810 -3.968 4.312 1.00 0.00 H new ATOM 0 HB2 ASP A 116 14.360 -2.092 4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 116 14.629 -2.903 3.027 1.00 0.00 H new ATOM 1805 N ARG A 117 11.589 -2.435 5.870 1.00 0.00 N ATOM 1806 CA ARG A 117 10.673 -1.721 6.759 1.00 0.00 C ATOM 1807 C ARG A 117 10.887 -0.207 6.706 1.00 0.00 C ATOM 1808 O ARG A 117 9.945 0.559 6.911 1.00 0.00 O ATOM 1809 CB ARG A 117 10.837 -2.216 8.197 1.00 0.00 C ATOM 1810 CG ARG A 117 9.880 -3.339 8.564 1.00 0.00 C ATOM 1811 CD ARG A 117 9.976 -3.693 10.041 1.00 0.00 C ATOM 1812 NE ARG A 117 11.194 -4.441 10.352 1.00 0.00 N ATOM 1813 CZ ARG A 117 11.366 -5.167 11.458 1.00 0.00 C ATOM 1814 NH1 ARG A 117 10.400 -5.248 12.369 1.00 0.00 N ATOM 1815 NH2 ARG A 117 12.508 -5.813 11.657 1.00 0.00 N ATOM 0 H ARG A 117 12.204 -3.096 6.345 1.00 0.00 H new ATOM 0 HA ARG A 117 9.660 -1.927 6.414 1.00 0.00 H new ATOM 0 HB2 ARG A 117 11.861 -2.561 8.340 1.00 0.00 H new ATOM 0 HB3 ARG A 117 10.684 -1.381 8.880 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.859 -3.041 8.326 1.00 0.00 H new ATOM 0 HG3 ARG A 117 10.103 -4.220 7.962 1.00 0.00 H new ATOM 0 HD2 ARG A 117 9.952 -2.779 10.634 1.00 0.00 H new ATOM 0 HD3 ARG A 117 9.106 -4.283 10.329 1.00 0.00 H new ATOM 0 HE ARG A 117 11.961 -4.405 9.680 1.00 0.00 H new ATOM 0 HH11 ARG A 117 9.520 -4.753 12.225 1.00 0.00 H new ATOM 0 HH12 ARG A 117 10.539 -5.805 13.212 1.00 0.00 H new ATOM 0 HH21 ARG A 117 13.254 -5.754 10.964 1.00 0.00 H new ATOM 0 HH22 ARG A 117 12.639 -6.368 12.503 1.00 0.00 H new ATOM 1829 N LYS A 118 12.120 0.223 6.431 1.00 0.00 N ATOM 1830 CA LYS A 118 12.434 1.652 6.356 1.00 0.00 C ATOM 1831 C LYS A 118 11.632 2.328 5.243 1.00 0.00 C ATOM 1832 O LYS A 118 11.045 3.391 5.447 1.00 0.00 O ATOM 1833 CB LYS A 118 13.934 1.861 6.122 1.00 0.00 C ATOM 1834 CG LYS A 118 14.456 3.182 6.667 1.00 0.00 C ATOM 1835 CD LYS A 118 15.533 3.767 5.765 1.00 0.00 C ATOM 1836 CE LYS A 118 15.421 5.282 5.667 1.00 0.00 C ATOM 1837 NZ LYS A 118 16.292 5.971 6.660 1.00 0.00 N ATOM 0 H LYS A 118 12.914 -0.394 6.257 1.00 0.00 H new ATOM 0 HA LYS A 118 12.159 2.107 7.307 1.00 0.00 H new ATOM 0 HB2 LYS A 118 14.484 1.043 6.587 1.00 0.00 H new ATOM 0 HB3 LYS A 118 14.137 1.813 5.052 1.00 0.00 H new ATOM 0 HG2 LYS A 118 13.633 3.890 6.760 1.00 0.00 H new ATOM 0 HG3 LYS A 118 14.860 3.030 7.668 1.00 0.00 H new ATOM 0 HD2 LYS A 118 16.517 3.499 6.151 1.00 0.00 H new ATOM 0 HD3 LYS A 118 15.451 3.331 4.770 1.00 0.00 H new ATOM 0 HE2 LYS A 118 15.694 5.602 4.661 1.00 0.00 H new ATOM 0 HE3 LYS A 118 14.385 5.580 5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 16.186 7.001 6.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 16.015 5.687 7.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 17.284 5.707 6.493 1.00 0.00 H new ATOM 1851 N GLU A 119 11.615 1.698 4.071 1.00 0.00 N ATOM 1852 CA GLU A 119 10.892 2.222 2.915 1.00 0.00 C ATOM 1853 C GLU A 119 9.378 2.038 3.065 1.00 0.00 C ATOM 1854 O GLU A 119 8.597 2.793 2.484 1.00 0.00 O ATOM 1855 CB GLU A 119 11.379 1.530 1.638 1.00 0.00 C ATOM 1856 CG GLU A 119 12.565 2.222 0.983 1.00 0.00 C ATOM 1857 CD GLU A 119 12.367 2.442 -0.506 1.00 0.00 C ATOM 1858 OE1 GLU A 119 11.289 2.941 -0.895 1.00 0.00 O ATOM 1859 OE2 GLU A 119 13.290 2.118 -1.283 1.00 0.00 O ATOM 0 H GLU A 119 12.098 0.817 3.896 1.00 0.00 H new ATOM 0 HA GLU A 119 11.093 3.291 2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.654 0.502 1.874 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.557 1.484 0.924 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.733 3.183 1.469 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.462 1.624 1.141 1.00 0.00 H new ATOM 1866 N LEU A 120 8.966 1.036 3.849 1.00 0.00 N ATOM 1867 CA LEU A 120 7.546 0.762 4.075 1.00 0.00 C ATOM 1868 C LEU A 120 6.984 1.655 5.180 1.00 0.00 C ATOM 1869 O LEU A 120 5.776 1.890 5.245 1.00 0.00 O ATOM 1870 CB LEU A 120 7.334 -0.713 4.436 1.00 0.00 C ATOM 1871 CG LEU A 120 6.254 -1.436 3.625 1.00 0.00 C ATOM 1872 CD1 LEU A 120 5.960 -2.802 4.228 1.00 0.00 C ATOM 1873 CD2 LEU A 120 4.981 -0.600 3.552 1.00 0.00 C ATOM 0 H LEU A 120 9.598 0.402 4.337 1.00 0.00 H new ATOM 0 HA LEU A 120 7.012 0.981 3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 120 8.278 -1.241 4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.076 -0.778 5.493 1.00 0.00 H new ATOM 0 HG LEU A 120 6.627 -1.578 2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.191 -3.302 3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 120 6.868 -3.405 4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.610 -2.680 5.253 1.00 0.00 H new ATOM 0 HD21 LEU A 120 4.228 -1.133 2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 120 4.604 -0.423 4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 120 5.200 0.354 3.073 1.00 0.00 H new ATOM 1885 N GLU A 121 7.870 2.148 6.045 1.00 0.00 N ATOM 1886 CA GLU A 121 7.480 3.015 7.143 1.00 0.00 C ATOM 1887 C GLU A 121 6.690 4.218 6.629 1.00 0.00 C ATOM 1888 O GLU A 121 7.078 4.857 5.648 1.00 0.00 O ATOM 1889 CB GLU A 121 8.727 3.470 7.898 1.00 0.00 C ATOM 1890 CG GLU A 121 8.496 3.697 9.382 1.00 0.00 C ATOM 1891 CD GLU A 121 9.782 3.948 10.156 1.00 0.00 C ATOM 1892 OE1 GLU A 121 10.846 4.129 9.518 1.00 0.00 O ATOM 1893 OE2 GLU A 121 9.724 3.969 11.404 1.00 0.00 O ATOM 0 H GLU A 121 8.871 1.956 6.000 1.00 0.00 H new ATOM 0 HA GLU A 121 6.834 2.460 7.823 1.00 0.00 H new ATOM 0 HB2 GLU A 121 9.510 2.722 7.772 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.094 4.394 7.451 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.828 4.548 9.513 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.990 2.827 9.802 1.00 0.00 H new ATOM 1900 N GLU A 122 5.572 4.502 7.292 1.00 0.00 N ATOM 1901 CA GLU A 122 4.691 5.611 6.914 1.00 0.00 C ATOM 1902 C GLU A 122 5.461 6.916 6.710 1.00 0.00 C ATOM 1903 O GLU A 122 5.230 7.629 5.732 1.00 0.00 O ATOM 1904 CB GLU A 122 3.606 5.805 7.978 1.00 0.00 C ATOM 1905 CG GLU A 122 2.470 6.716 7.537 1.00 0.00 C ATOM 1906 CD GLU A 122 1.102 6.127 7.822 1.00 0.00 C ATOM 1907 OE1 GLU A 122 0.578 5.395 6.956 1.00 0.00 O ATOM 1908 OE2 GLU A 122 0.553 6.399 8.910 1.00 0.00 O ATOM 0 H GLU A 122 5.250 3.974 8.103 1.00 0.00 H new ATOM 0 HA GLU A 122 4.230 5.351 5.961 1.00 0.00 H new ATOM 0 HB2 GLU A 122 3.195 4.832 8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 122 4.062 6.218 8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 122 2.561 7.676 8.046 1.00 0.00 H new ATOM 0 HG3 GLU A 122 2.561 6.912 6.469 1.00 0.00 H new ATOM 1915 N ASN A 123 6.372 7.222 7.634 1.00 0.00 N ATOM 1916 CA ASN A 123 7.172 8.442 7.550 1.00 0.00 C ATOM 1917 C ASN A 123 7.972 8.490 6.253 1.00 0.00 C ATOM 1918 O ASN A 123 8.204 9.566 5.696 1.00 0.00 O ATOM 1919 CB ASN A 123 8.118 8.554 8.748 1.00 0.00 C ATOM 1920 CG ASN A 123 8.747 7.229 9.116 1.00 0.00 C ATOM 1921 OD1 ASN A 123 8.302 6.563 10.049 1.00 0.00 O ATOM 1922 ND2 ASN A 123 9.783 6.837 8.388 1.00 0.00 N ATOM 0 H ASN A 123 6.574 6.642 8.448 1.00 0.00 H new ATOM 0 HA ASN A 123 6.483 9.287 7.562 1.00 0.00 H new ATOM 0 HB2 ASN A 123 8.904 9.274 8.520 1.00 0.00 H new ATOM 0 HB3 ASN A 123 7.568 8.942 9.606 1.00 0.00 H new ATOM 0 HD21 ASN A 123 10.244 5.951 8.593 1.00 0.00 H new ATOM 0 HD22 ASN A 123 10.119 7.422 7.623 1.00 0.00 H new ATOM 1929 N PHE A 124 8.388 7.321 5.773 1.00 0.00 N ATOM 1930 CA PHE A 124 9.155 7.232 4.542 1.00 0.00 C ATOM 1931 C PHE A 124 8.258 7.450 3.327 1.00 0.00 C ATOM 1932 O PHE A 124 8.564 8.271 2.461 1.00 0.00 O ATOM 1933 CB PHE A 124 9.845 5.872 4.445 1.00 0.00 C ATOM 1934 CG PHE A 124 10.815 5.786 3.302 1.00 0.00 C ATOM 1935 CD1 PHE A 124 10.358 5.655 2.002 1.00 0.00 C ATOM 1936 CD2 PHE A 124 12.181 5.854 3.527 1.00 0.00 C ATOM 1937 CE1 PHE A 124 11.243 5.592 0.945 1.00 0.00 C ATOM 1938 CE2 PHE A 124 13.072 5.794 2.472 1.00 0.00 C ATOM 1939 CZ PHE A 124 12.602 5.662 1.180 1.00 0.00 C ATOM 0 H PHE A 124 8.205 6.423 6.221 1.00 0.00 H new ATOM 0 HA PHE A 124 9.913 8.015 4.556 1.00 0.00 H new ATOM 0 HB2 PHE A 124 10.372 5.671 5.378 1.00 0.00 H new ATOM 0 HB3 PHE A 124 9.089 5.095 4.332 1.00 0.00 H new ATOM 0 HD1 PHE A 124 9.296 5.601 1.813 1.00 0.00 H new ATOM 0 HD2 PHE A 124 12.553 5.955 4.536 1.00 0.00 H new ATOM 0 HE1 PHE A 124 10.873 5.488 -0.064 1.00 0.00 H new ATOM 0 HE2 PHE A 124 14.134 5.850 2.658 1.00 0.00 H new ATOM 0 HZ PHE A 124 13.297 5.614 0.354 1.00 0.00 H new ATOM 1949 N ILE A 125 7.150 6.710 3.275 1.00 0.00 N ATOM 1950 CA ILE A 125 6.202 6.818 2.167 1.00 0.00 C ATOM 1951 C ILE A 125 5.660 8.240 2.045 1.00 0.00 C ATOM 1952 O ILE A 125 5.638 8.813 0.954 1.00 0.00 O ATOM 1953 CB ILE A 125 5.014 5.842 2.332 1.00 0.00 C ATOM 1954 CG1 ILE A 125 5.511 4.417 2.602 1.00 0.00 C ATOM 1955 CG2 ILE A 125 4.134 5.867 1.091 1.00 0.00 C ATOM 1956 CD1 ILE A 125 4.473 3.532 3.257 1.00 0.00 C ATOM 0 H ILE A 125 6.887 6.029 3.988 1.00 0.00 H new ATOM 0 HA ILE A 125 6.750 6.557 1.262 1.00 0.00 H new ATOM 0 HB ILE A 125 4.424 6.166 3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.822 3.964 1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.393 4.463 3.240 1.00 0.00 H new ATOM 0 HG21 ILE A 125 3.302 5.175 1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 125 3.748 6.875 0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 125 4.721 5.569 0.222 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.892 2.539 3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 125 4.180 3.963 4.214 1.00 0.00 H new ATOM 0 HD13 ILE A 125 3.599 3.456 2.610 1.00 0.00 H new ATOM 1968 N LYS A 126 5.226 8.806 3.176 1.00 0.00 N ATOM 1969 CA LYS A 126 4.687 10.165 3.205 1.00 0.00 C ATOM 1970 C LYS A 126 5.680 11.162 2.611 1.00 0.00 C ATOM 1971 O LYS A 126 5.289 12.095 1.909 1.00 0.00 O ATOM 1972 CB LYS A 126 4.335 10.568 4.641 1.00 0.00 C ATOM 1973 CG LYS A 126 2.850 10.815 4.861 1.00 0.00 C ATOM 1974 CD LYS A 126 2.223 9.734 5.729 1.00 0.00 C ATOM 1975 CE LYS A 126 0.747 10.007 5.983 1.00 0.00 C ATOM 1976 NZ LYS A 126 0.030 8.799 6.478 1.00 0.00 N ATOM 0 H LYS A 126 5.239 8.341 4.084 1.00 0.00 H new ATOM 0 HA LYS A 126 3.781 10.181 2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.668 9.784 5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 126 4.887 11.471 4.901 1.00 0.00 H new ATOM 0 HG2 LYS A 126 2.709 11.788 5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 126 2.340 10.850 3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 126 2.336 8.765 5.243 1.00 0.00 H new ATOM 0 HD3 LYS A 126 2.752 9.677 6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 126 0.648 10.811 6.712 1.00 0.00 H new ATOM 0 HE3 LYS A 126 0.279 10.353 5.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -0.994 8.926 6.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 0.345 7.965 5.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 0.238 8.661 7.488 1.00 0.00 H new ATOM 1990 N SER A 127 6.968 10.956 2.897 1.00 0.00 N ATOM 1991 CA SER A 127 8.022 11.833 2.391 1.00 0.00 C ATOM 1992 C SER A 127 8.136 11.733 0.869 1.00 0.00 C ATOM 1993 O SER A 127 8.162 12.750 0.174 1.00 0.00 O ATOM 1994 CB SER A 127 9.363 11.483 3.039 1.00 0.00 C ATOM 1995 OG SER A 127 10.232 12.604 3.051 1.00 0.00 O ATOM 0 H SER A 127 7.305 10.188 3.477 1.00 0.00 H new ATOM 0 HA SER A 127 7.758 12.859 2.649 1.00 0.00 H new ATOM 0 HB2 SER A 127 9.198 11.136 4.059 1.00 0.00 H new ATOM 0 HB3 SER A 127 9.830 10.662 2.495 1.00 0.00 H new ATOM 0 HG SER A 127 11.081 12.355 3.472 1.00 0.00 H new ATOM 2001 N GLU A 128 8.198 10.500 0.361 1.00 0.00 N ATOM 2002 CA GLU A 128 8.303 10.258 -1.078 1.00 0.00 C ATOM 2003 C GLU A 128 7.099 10.839 -1.818 1.00 0.00 C ATOM 2004 O GLU A 128 7.256 11.567 -2.799 1.00 0.00 O ATOM 2005 CB GLU A 128 8.414 8.756 -1.352 1.00 0.00 C ATOM 2006 CG GLU A 128 8.703 8.416 -2.805 1.00 0.00 C ATOM 2007 CD GLU A 128 10.184 8.249 -3.083 1.00 0.00 C ATOM 2008 OE1 GLU A 128 10.726 7.165 -2.784 1.00 0.00 O ATOM 2009 OE2 GLU A 128 10.802 9.205 -3.599 1.00 0.00 O ATOM 0 H GLU A 128 8.177 9.652 0.928 1.00 0.00 H new ATOM 0 HA GLU A 128 9.202 10.755 -1.444 1.00 0.00 H new ATOM 0 HB2 GLU A 128 9.204 8.340 -0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 128 7.484 8.272 -1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 128 8.182 7.496 -3.069 1.00 0.00 H new ATOM 0 HG3 GLU A 128 8.304 9.203 -3.445 1.00 0.00 H new ATOM 2016 N LEU A 129 5.898 10.511 -1.337 1.00 0.00 N ATOM 2017 CA LEU A 129 4.659 10.997 -1.944 1.00 0.00 C ATOM 2018 C LEU A 129 4.567 12.525 -1.879 1.00 0.00 C ATOM 2019 O LEU A 129 4.066 13.162 -2.808 1.00 0.00 O ATOM 2020 CB LEU A 129 3.448 10.378 -1.243 1.00 0.00 C ATOM 2021 CG LEU A 129 2.124 10.496 -2.004 1.00 0.00 C ATOM 2022 CD1 LEU A 129 1.366 9.180 -1.958 1.00 0.00 C ATOM 2023 CD2 LEU A 129 1.276 11.621 -1.427 1.00 0.00 C ATOM 0 H LEU A 129 5.758 9.909 -0.526 1.00 0.00 H new ATOM 0 HA LEU A 129 4.664 10.699 -2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 129 3.653 9.323 -1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 129 3.332 10.851 -0.268 1.00 0.00 H new ATOM 0 HG LEU A 129 2.344 10.731 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 129 0.428 9.281 -2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 129 1.969 8.396 -2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 129 1.156 8.917 -0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 129 0.339 11.691 -1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 129 1.064 11.415 -0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 129 1.817 12.564 -1.510 1.00 0.00 H new ATOM 2035 N LYS A 130 5.043 13.101 -0.774 1.00 0.00 N ATOM 2036 CA LYS A 130 5.009 14.551 -0.578 1.00 0.00 C ATOM 2037 C LYS A 130 5.977 15.269 -1.518 1.00 0.00 C ATOM 2038 O LYS A 130 5.623 16.281 -2.127 1.00 0.00 O ATOM 2039 CB LYS A 130 5.345 14.891 0.877 1.00 0.00 C ATOM 2040 CG LYS A 130 5.282 16.376 1.190 1.00 0.00 C ATOM 2041 CD LYS A 130 5.576 16.645 2.655 1.00 0.00 C ATOM 2042 CE LYS A 130 5.552 18.134 2.961 1.00 0.00 C ATOM 2043 NZ LYS A 130 4.185 18.612 3.313 1.00 0.00 N ATOM 0 H LYS A 130 5.458 12.584 0.001 1.00 0.00 H new ATOM 0 HA LYS A 130 4.001 14.895 -0.809 1.00 0.00 H new ATOM 0 HB2 LYS A 130 4.654 14.361 1.533 1.00 0.00 H new ATOM 0 HB3 LYS A 130 6.346 14.523 1.104 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.000 16.911 0.569 1.00 0.00 H new ATOM 0 HG3 LYS A 130 4.294 16.761 0.939 1.00 0.00 H new ATOM 0 HD2 LYS A 130 4.841 16.133 3.275 1.00 0.00 H new ATOM 0 HD3 LYS A 130 6.552 16.235 2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 130 6.233 18.345 3.786 1.00 0.00 H new ATOM 0 HE3 LYS A 130 5.918 18.687 2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 4.215 19.632 3.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 3.540 18.435 2.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 3.845 18.103 4.154 1.00 0.00 H new ATOM 2057 N LYS A 131 7.200 14.749 -1.625 1.00 0.00 N ATOM 2058 CA LYS A 131 8.216 15.348 -2.485 1.00 0.00 C ATOM 2059 C LYS A 131 7.926 15.063 -3.958 1.00 0.00 C ATOM 2060 O LYS A 131 7.594 15.976 -4.716 1.00 0.00 O ATOM 2061 CB LYS A 131 9.603 14.829 -2.104 1.00 0.00 C ATOM 2062 CG LYS A 131 10.200 15.526 -0.891 1.00 0.00 C ATOM 2063 CD LYS A 131 10.568 16.970 -1.202 1.00 0.00 C ATOM 2064 CE LYS A 131 11.080 17.694 0.034 1.00 0.00 C ATOM 2065 NZ LYS A 131 12.452 17.255 0.414 1.00 0.00 N ATOM 0 H LYS A 131 7.509 13.915 -1.126 1.00 0.00 H new ATOM 0 HA LYS A 131 8.192 16.428 -2.340 1.00 0.00 H new ATOM 0 HB2 LYS A 131 9.540 13.759 -1.904 1.00 0.00 H new ATOM 0 HB3 LYS A 131 10.275 14.955 -2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 131 9.486 15.501 -0.068 1.00 0.00 H new ATOM 0 HG3 LYS A 131 11.087 14.986 -0.560 1.00 0.00 H new ATOM 0 HD2 LYS A 131 11.331 16.993 -1.980 1.00 0.00 H new ATOM 0 HD3 LYS A 131 9.696 17.492 -1.595 1.00 0.00 H new ATOM 0 HE2 LYS A 131 11.082 18.768 -0.151 1.00 0.00 H new ATOM 0 HE3 LYS A 131 10.399 17.515 0.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 12.761 17.774 1.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 12.447 16.235 0.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 13.108 17.449 -0.369 1.00 0.00 H new ATOM 2079 N ALA A 132 8.048 13.794 -4.352 1.00 0.00 N ATOM 2080 CA ALA A 132 7.794 13.382 -5.732 1.00 0.00 C ATOM 2081 C ALA A 132 8.644 14.175 -6.730 1.00 0.00 C ATOM 2082 O ALA A 132 8.123 14.738 -7.695 1.00 0.00 O ATOM 2083 CB ALA A 132 6.312 13.528 -6.058 1.00 0.00 C ATOM 0 H ALA A 132 8.322 13.032 -3.732 1.00 0.00 H new ATOM 0 HA ALA A 132 8.079 12.334 -5.824 1.00 0.00 H new ATOM 0 HB1 ALA A 132 6.134 13.219 -7.088 1.00 0.00 H new ATOM 0 HB2 ALA A 132 5.728 12.901 -5.384 1.00 0.00 H new ATOM 0 HB3 ALA A 132 6.013 14.569 -5.935 1.00 0.00 H new ATOM 2089 N GLY A 133 9.956 14.216 -6.493 1.00 0.00 N ATOM 2090 CA GLY A 133 10.849 14.943 -7.383 1.00 0.00 C ATOM 2091 C GLY A 133 11.929 14.063 -7.994 1.00 0.00 C ATOM 2092 O GLY A 133 13.045 14.524 -8.230 1.00 0.00 O ATOM 0 H GLY A 133 10.414 13.761 -5.704 1.00 0.00 H new ATOM 0 HA2 GLY A 133 10.264 15.398 -8.182 1.00 0.00 H new ATOM 0 HA3 GLY A 133 11.320 15.756 -6.830 1.00 0.00 H new ATOM 2096 N GLY A 134 11.596 12.797 -8.252 1.00 0.00 N ATOM 2097 CA GLY A 134 12.556 11.873 -8.837 1.00 0.00 C ATOM 2098 C GLY A 134 12.011 11.183 -10.073 1.00 0.00 C ATOM 2099 O GLY A 134 11.409 10.112 -9.975 1.00 0.00 O ATOM 0 H GLY A 134 10.677 12.396 -8.066 1.00 0.00 H new ATOM 0 HA2 GLY A 134 13.466 12.414 -9.097 1.00 0.00 H new ATOM 0 HA3 GLY A 134 12.832 11.122 -8.097 1.00 0.00 H new ATOM 2103 N ALA A 135 12.214 11.810 -11.237 1.00 0.00 N ATOM 2104 CA ALA A 135 11.736 11.273 -12.516 1.00 0.00 C ATOM 2105 C ALA A 135 10.228 11.477 -12.675 1.00 0.00 C ATOM 2106 O ALA A 135 9.581 10.809 -13.484 1.00 0.00 O ATOM 2107 CB ALA A 135 12.102 9.800 -12.657 1.00 0.00 C ATOM 0 H ALA A 135 12.710 12.697 -11.319 1.00 0.00 H new ATOM 0 HA ALA A 135 12.232 11.825 -13.314 1.00 0.00 H new ATOM 0 HB1 ALA A 135 11.737 9.424 -13.613 1.00 0.00 H new ATOM 0 HB2 ALA A 135 13.185 9.688 -12.613 1.00 0.00 H new ATOM 0 HB3 ALA A 135 11.646 9.232 -11.846 1.00 0.00 H new ATOM 2113 N ASN A 136 9.683 12.412 -11.900 1.00 0.00 N ATOM 2114 CA ASN A 136 8.257 12.730 -11.941 1.00 0.00 C ATOM 2115 C ASN A 136 8.007 14.164 -11.464 1.00 0.00 C ATOM 2116 O ASN A 136 6.916 14.488 -10.991 1.00 0.00 O ATOM 2117 CB ASN A 136 7.466 11.743 -11.073 1.00 0.00 C ATOM 2118 CG ASN A 136 8.100 11.511 -9.709 1.00 0.00 C ATOM 2119 OD1 ASN A 136 8.909 12.312 -9.239 1.00 0.00 O ATOM 2120 ND2 ASN A 136 7.732 10.409 -9.063 1.00 0.00 N ATOM 0 H ASN A 136 10.214 12.968 -11.229 1.00 0.00 H new ATOM 0 HA ASN A 136 7.918 12.644 -12.974 1.00 0.00 H new ATOM 0 HB2 ASN A 136 6.452 12.119 -10.937 1.00 0.00 H new ATOM 0 HB3 ASN A 136 7.385 10.791 -11.597 1.00 0.00 H new ATOM 0 HD21 ASN A 136 8.123 10.202 -8.144 1.00 0.00 H new ATOM 0 HD22 ASN A 136 7.059 9.770 -9.486 1.00 0.00 H new ATOM 2127 N TYR A 137 9.028 15.016 -11.589 1.00 0.00 N ATOM 2128 CA TYR A 137 8.927 16.411 -11.169 1.00 0.00 C ATOM 2129 C TYR A 137 7.888 17.173 -11.993 1.00 0.00 C ATOM 2130 O TYR A 137 7.295 18.138 -11.511 1.00 0.00 O ATOM 2131 CB TYR A 137 10.292 17.098 -11.282 1.00 0.00 C ATOM 2132 CG TYR A 137 10.529 18.161 -10.233 1.00 0.00 C ATOM 2133 CD1 TYR A 137 10.028 19.446 -10.395 1.00 0.00 C ATOM 2134 CD2 TYR A 137 11.254 17.881 -9.081 1.00 0.00 C ATOM 2135 CE1 TYR A 137 10.241 20.422 -9.440 1.00 0.00 C ATOM 2136 CE2 TYR A 137 11.472 18.850 -8.120 1.00 0.00 C ATOM 2137 CZ TYR A 137 10.965 20.119 -8.303 1.00 0.00 C ATOM 2138 OH TYR A 137 11.179 21.088 -7.349 1.00 0.00 O ATOM 0 H TYR A 137 9.935 14.761 -11.979 1.00 0.00 H new ATOM 0 HA TYR A 137 8.603 16.421 -10.128 1.00 0.00 H new ATOM 0 HB2 TYR A 137 11.075 16.344 -11.205 1.00 0.00 H new ATOM 0 HB3 TYR A 137 10.380 17.550 -12.270 1.00 0.00 H new ATOM 0 HD1 TYR A 137 9.462 19.687 -11.283 1.00 0.00 H new ATOM 0 HD2 TYR A 137 11.654 16.889 -8.934 1.00 0.00 H new ATOM 0 HE1 TYR A 137 9.844 21.416 -9.582 1.00 0.00 H new ATOM 0 HE2 TYR A 137 12.037 18.614 -7.230 1.00 0.00 H new ATOM 0 HH TYR A 137 11.705 20.712 -6.612 1.00 0.00 H new ATOM 2148 N ASP A 138 7.668 16.737 -13.235 1.00 0.00 N ATOM 2149 CA ASP A 138 6.697 17.385 -14.111 1.00 0.00 C ATOM 2150 C ASP A 138 5.281 17.238 -13.562 1.00 0.00 C ATOM 2151 O ASP A 138 4.995 16.329 -12.780 1.00 0.00 O ATOM 2152 CB ASP A 138 6.767 16.797 -15.524 1.00 0.00 C ATOM 2153 CG ASP A 138 6.429 17.811 -16.606 1.00 0.00 C ATOM 2154 OD1 ASP A 138 5.807 18.851 -16.287 1.00 0.00 O ATOM 2155 OD2 ASP A 138 6.783 17.560 -17.777 1.00 0.00 O ATOM 0 H ASP A 138 8.149 15.940 -13.653 1.00 0.00 H new ATOM 0 HA ASP A 138 6.946 18.445 -14.154 1.00 0.00 H new ATOM 0 HB2 ASP A 138 7.769 16.406 -15.700 1.00 0.00 H new ATOM 0 HB3 ASP A 138 6.079 15.954 -15.596 1.00 0.00 H new ATOM 2160 N ALA A 139 4.401 18.142 -13.982 1.00 0.00 N ATOM 2161 CA ALA A 139 3.006 18.131 -13.547 1.00 0.00 C ATOM 2162 C ALA A 139 2.187 19.159 -14.318 1.00 0.00 C ATOM 2163 O ALA A 139 1.280 18.805 -15.073 1.00 0.00 O ATOM 2164 CB ALA A 139 2.908 18.398 -12.050 1.00 0.00 C ATOM 0 H ALA A 139 4.631 18.897 -14.628 1.00 0.00 H new ATOM 0 HA ALA A 139 2.599 17.141 -13.753 1.00 0.00 H new ATOM 0 HB1 ALA A 139 1.861 18.386 -11.746 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.453 17.626 -11.506 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.340 19.373 -11.825 1.00 0.00 H new ATOM 2170 N GLN A 140 2.517 20.435 -14.120 1.00 0.00 N ATOM 2171 CA GLN A 140 1.816 21.526 -14.794 1.00 0.00 C ATOM 2172 C GLN A 140 2.765 22.667 -15.171 1.00 0.00 C ATOM 2173 O GLN A 140 2.325 23.780 -15.458 1.00 0.00 O ATOM 2174 CB GLN A 140 0.704 22.065 -13.900 1.00 0.00 C ATOM 2175 CG GLN A 140 -0.596 21.275 -13.980 1.00 0.00 C ATOM 2176 CD GLN A 140 -1.214 21.029 -12.618 1.00 0.00 C ATOM 2177 OE1 GLN A 140 -1.785 21.936 -12.012 1.00 0.00 O ATOM 2178 NE2 GLN A 140 -1.102 19.801 -12.127 1.00 0.00 N ATOM 0 H GLN A 140 3.266 20.738 -13.498 1.00 0.00 H new ATOM 0 HA GLN A 140 1.391 21.122 -15.713 1.00 0.00 H new ATOM 0 HB2 GLN A 140 1.052 22.068 -12.867 1.00 0.00 H new ATOM 0 HB3 GLN A 140 0.504 23.101 -14.172 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -1.307 21.815 -14.605 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -0.406 20.318 -14.467 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -0.620 19.079 -12.663 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -1.498 19.579 -11.213 1.00 0.00 H new ATOM 2187 N THR A 141 4.061 22.381 -15.169 1.00 0.00 N ATOM 2188 CA THR A 141 5.070 23.384 -15.511 1.00 0.00 C ATOM 2189 C THR A 141 5.468 23.283 -16.983 1.00 0.00 C ATOM 2190 O THR A 141 5.436 24.278 -17.709 1.00 0.00 O ATOM 2191 CB THR A 141 6.311 23.233 -14.625 1.00 0.00 C ATOM 2192 OG1 THR A 141 5.953 22.836 -13.311 1.00 0.00 O ATOM 2193 CG2 THR A 141 7.125 24.507 -14.514 1.00 0.00 C ATOM 0 H THR A 141 4.441 21.464 -14.935 1.00 0.00 H new ATOM 0 HA THR A 141 4.630 24.366 -15.336 1.00 0.00 H new ATOM 0 HB THR A 141 6.919 22.471 -15.112 1.00 0.00 H new ATOM 0 HG1 THR A 141 6.762 22.745 -12.765 1.00 0.00 H new ATOM 0 HG21 THR A 141 7.989 24.332 -13.873 1.00 0.00 H new ATOM 0 HG22 THR A 141 7.463 24.810 -15.505 1.00 0.00 H new ATOM 0 HG23 THR A 141 6.508 25.296 -14.084 1.00 0.00 H new ATOM 2201 N GLU A 142 5.838 22.077 -17.420 1.00 0.00 N ATOM 2202 CA GLU A 142 6.237 21.854 -18.810 1.00 0.00 C ATOM 2203 C GLU A 142 5.037 21.990 -19.744 1.00 0.00 C ATOM 2204 O GLU A 142 3.970 21.419 -19.425 1.00 0.00 O ATOM 2205 CB GLU A 142 6.871 20.468 -18.971 1.00 0.00 C ATOM 2206 CG GLU A 142 8.303 20.496 -19.486 1.00 0.00 C ATOM 2207 CD GLU A 142 8.643 19.279 -20.327 1.00 0.00 C ATOM 2208 OE1 GLU A 142 8.170 19.206 -21.481 1.00 0.00 O ATOM 2209 OE2 GLU A 142 9.380 18.399 -19.833 1.00 0.00 O ATOM 0 H GLU A 142 5.869 21.243 -16.833 1.00 0.00 H new ATOM 0 HA GLU A 142 6.974 22.611 -19.076 1.00 0.00 H new ATOM 0 HB2 GLU A 142 6.852 19.958 -18.008 1.00 0.00 H new ATOM 0 HB3 GLU A 142 6.261 19.879 -19.656 1.00 0.00 H new ATOM 0 HG2 GLU A 142 8.454 21.398 -20.080 1.00 0.00 H new ATOM 0 HG3 GLU A 142 8.989 20.552 -18.640 1.00 0.00 H new TER 2216 GLU A 142