USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 908 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 61 THR OG1 : rot 44:sc= -1.09 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -5.84! C(o=-6.9!,f=-6.4!) USER MOD Set 2.1: A 42 MET CE :methyl -108:sc= -4.49! (180deg=-3.07!) USER MOD Set 2.2: A 54 ASN : amide:sc= -1.3! C(o=-5.8!,f=-17!) USER MOD Single : A 1 GLY N :NH3+ 150:sc= 0.0616 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 23:sc= 0.531 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.053 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 52:sc= 0.312 USER MOD Single : A 15 SER OG : rot 53:sc= 0.523 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.0298 K(o=-0.03,f=-0.95) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -137:sc= -0.0654 (180deg=-1.87!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 47:sc= 0.92 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -1.61 K(o=-1.6,f=-2.9!) USER MOD Single : A 68 ASN : amide:sc= -10.8! C(o=-11!,f=-20!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.338 K(o=-0.34,f=-2.8!) USER MOD Single : A 80 GLN : amide:sc= -5.2! C(o=-5.2!,f=-5.2!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot -85:sc= 0.0181 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot 162:sc= -7.92! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS : no HE2:sc= -1.47! C(o=-1.5!,f=-5.7!) USER MOD Single : A 113 GLN : amide:sc= -0.485 K(o=-0.49,f=-2.1!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.940 -16.594 4.575 1.00 0.00 N ATOM 2 CA GLY A 1 -10.610 -16.616 3.286 1.00 0.00 C ATOM 3 C GLY A 1 -11.550 -15.418 3.136 1.00 0.00 C ATOM 4 O GLY A 1 -11.956 -14.816 4.129 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.737 -17.568 4.877 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.049 -16.064 4.494 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.554 -16.134 5.277 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.869 -16.604 2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.176 -17.542 3.182 1.00 0.00 H new ATOM 8 N SER A 2 -11.868 -15.109 1.888 1.00 0.00 N ATOM 9 CA SER A 2 -12.753 -13.994 1.596 1.00 0.00 C ATOM 10 C SER A 2 -13.102 -13.979 0.106 1.00 0.00 C ATOM 11 O SER A 2 -12.445 -14.641 -0.695 1.00 0.00 O ATOM 12 CB SER A 2 -12.116 -12.664 2.005 1.00 0.00 C ATOM 13 OG SER A 2 -12.903 -11.970 2.970 1.00 0.00 O ATOM 0 H SER A 2 -11.529 -15.611 1.067 1.00 0.00 H new ATOM 0 HA SER A 2 -13.667 -14.122 2.176 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.122 -12.848 2.412 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.988 -12.037 1.123 1.00 0.00 H new ATOM 0 HG SER A 2 -12.462 -11.127 3.207 1.00 0.00 H new ATOM 19 N SER A 3 -14.136 -13.217 -0.219 1.00 0.00 N ATOM 20 CA SER A 3 -14.581 -13.107 -1.598 1.00 0.00 C ATOM 21 C SER A 3 -15.311 -11.779 -1.808 1.00 0.00 C ATOM 22 O SER A 3 -15.592 -11.063 -0.849 1.00 0.00 O ATOM 23 CB SER A 3 -15.489 -14.279 -1.978 1.00 0.00 C ATOM 24 OG SER A 3 -14.745 -15.460 -2.264 1.00 0.00 O ATOM 0 H SER A 3 -14.679 -12.670 0.449 1.00 0.00 H new ATOM 0 HA SER A 3 -13.704 -13.137 -2.245 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.185 -14.477 -1.163 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.086 -14.007 -2.848 1.00 0.00 H new ATOM 0 HG SER A 3 -13.868 -15.407 -1.830 1.00 0.00 H new ATOM 30 N GLY A 4 -15.597 -11.492 -3.070 1.00 0.00 N ATOM 31 CA GLY A 4 -16.288 -10.262 -3.419 1.00 0.00 C ATOM 32 C GLY A 4 -16.809 -10.315 -4.856 1.00 0.00 C ATOM 33 O GLY A 4 -16.520 -11.259 -5.591 1.00 0.00 O ATOM 0 H GLY A 4 -15.363 -12.090 -3.863 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.119 -10.100 -2.733 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.611 -9.415 -3.305 1.00 0.00 H new ATOM 37 N SER A 5 -17.567 -9.289 -5.215 1.00 0.00 N ATOM 38 CA SER A 5 -18.131 -9.207 -6.552 1.00 0.00 C ATOM 39 C SER A 5 -18.218 -7.745 -6.994 1.00 0.00 C ATOM 40 O SER A 5 -18.073 -6.836 -6.177 1.00 0.00 O ATOM 41 CB SER A 5 -19.512 -9.863 -6.609 1.00 0.00 C ATOM 42 OG SER A 5 -19.771 -10.452 -7.880 1.00 0.00 O ATOM 0 H SER A 5 -17.804 -8.508 -4.603 1.00 0.00 H new ATOM 0 HA SER A 5 -17.475 -9.747 -7.234 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.583 -10.627 -5.834 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.277 -9.117 -6.392 1.00 0.00 H new ATOM 0 HG SER A 5 -20.661 -10.862 -7.875 1.00 0.00 H new ATOM 48 N SER A 6 -18.456 -7.563 -8.284 1.00 0.00 N ATOM 49 CA SER A 6 -18.565 -6.227 -8.844 1.00 0.00 C ATOM 50 C SER A 6 -18.883 -6.310 -10.339 1.00 0.00 C ATOM 51 O SER A 6 -18.773 -7.376 -10.942 1.00 0.00 O ATOM 52 CB SER A 6 -17.279 -5.429 -8.619 1.00 0.00 C ATOM 53 OG SER A 6 -16.115 -6.209 -8.873 1.00 0.00 O ATOM 0 H SER A 6 -18.577 -8.319 -8.958 1.00 0.00 H new ATOM 0 HA SER A 6 -19.377 -5.708 -8.334 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.277 -4.554 -9.268 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.254 -5.064 -7.592 1.00 0.00 H new ATOM 0 HG SER A 6 -15.316 -5.663 -8.720 1.00 0.00 H new ATOM 59 N GLY A 7 -19.271 -5.171 -10.893 1.00 0.00 N ATOM 60 CA GLY A 7 -19.605 -5.101 -12.305 1.00 0.00 C ATOM 61 C GLY A 7 -19.265 -3.725 -12.882 1.00 0.00 C ATOM 62 O GLY A 7 -19.802 -2.712 -12.438 1.00 0.00 O ATOM 0 H GLY A 7 -19.362 -4.289 -10.389 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.060 -5.872 -12.850 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.667 -5.304 -12.442 1.00 0.00 H new ATOM 66 N THR A 8 -18.374 -3.734 -13.863 1.00 0.00 N ATOM 67 CA THR A 8 -17.956 -2.500 -14.505 1.00 0.00 C ATOM 68 C THR A 8 -19.173 -1.728 -15.020 1.00 0.00 C ATOM 69 O THR A 8 -20.311 -2.089 -14.726 1.00 0.00 O ATOM 70 CB THR A 8 -16.953 -2.855 -15.604 1.00 0.00 C ATOM 71 OG1 THR A 8 -17.512 -4.009 -16.225 1.00 0.00 O ATOM 72 CG2 THR A 8 -15.617 -3.345 -15.041 1.00 0.00 C ATOM 0 H THR A 8 -17.930 -4.577 -14.229 1.00 0.00 H new ATOM 0 HA THR A 8 -17.463 -1.834 -13.797 1.00 0.00 H new ATOM 0 HB THR A 8 -16.783 -1.983 -16.236 1.00 0.00 H new ATOM 0 HG1 THR A 8 -16.925 -4.306 -16.952 1.00 0.00 H new ATOM 0 HG21 THR A 8 -14.941 -3.583 -15.863 1.00 0.00 H new ATOM 0 HG22 THR A 8 -15.175 -2.564 -14.422 1.00 0.00 H new ATOM 0 HG23 THR A 8 -15.782 -4.237 -14.437 1.00 0.00 H new ATOM 80 N GLY A 9 -18.890 -0.679 -15.779 1.00 0.00 N ATOM 81 CA GLY A 9 -19.947 0.147 -16.337 1.00 0.00 C ATOM 82 C GLY A 9 -19.378 1.433 -16.939 1.00 0.00 C ATOM 83 O GLY A 9 -18.271 1.847 -16.595 1.00 0.00 O ATOM 0 H GLY A 9 -17.944 -0.383 -16.020 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -20.483 -0.412 -17.104 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -20.669 0.394 -15.559 1.00 0.00 H new ATOM 87 N ALA A 10 -20.160 2.031 -17.826 1.00 0.00 N ATOM 88 CA ALA A 10 -19.747 3.261 -18.479 1.00 0.00 C ATOM 89 C ALA A 10 -20.967 4.164 -18.673 1.00 0.00 C ATOM 90 O ALA A 10 -22.093 3.763 -18.383 1.00 0.00 O ATOM 91 CB ALA A 10 -19.051 2.930 -19.800 1.00 0.00 C ATOM 0 H ALA A 10 -21.078 1.686 -18.108 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.031 3.802 -17.861 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.741 3.853 -20.289 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.175 2.311 -19.605 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.740 2.389 -20.449 1.00 0.00 H new ATOM 97 N LEU A 11 -20.701 5.367 -19.161 1.00 0.00 N ATOM 98 CA LEU A 11 -21.763 6.330 -19.396 1.00 0.00 C ATOM 99 C LEU A 11 -21.156 7.635 -19.918 1.00 0.00 C ATOM 100 O LEU A 11 -19.944 7.730 -20.100 1.00 0.00 O ATOM 101 CB LEU A 11 -22.614 6.508 -18.137 1.00 0.00 C ATOM 102 CG LEU A 11 -24.010 5.883 -18.178 1.00 0.00 C ATOM 103 CD1 LEU A 11 -24.304 5.114 -16.888 1.00 0.00 C ATOM 104 CD2 LEU A 11 -25.077 6.941 -18.470 1.00 0.00 C ATOM 0 H LEU A 11 -19.766 5.696 -19.400 1.00 0.00 H new ATOM 0 HA LEU A 11 -22.445 5.965 -20.164 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -22.072 6.083 -17.293 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -22.721 7.575 -17.942 1.00 0.00 H new ATOM 0 HG LEU A 11 -24.038 5.163 -18.996 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -25.302 4.680 -16.943 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -23.569 4.319 -16.763 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -24.251 5.795 -16.038 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -26.060 6.470 -18.494 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -25.058 7.702 -17.690 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -24.874 7.406 -19.435 1.00 0.00 H new ATOM 116 N MET A 12 -22.028 8.607 -20.143 1.00 0.00 N ATOM 117 CA MET A 12 -21.593 9.901 -20.640 1.00 0.00 C ATOM 118 C MET A 12 -20.994 9.777 -22.042 1.00 0.00 C ATOM 119 O MET A 12 -20.398 8.754 -22.378 1.00 0.00 O ATOM 120 CB MET A 12 -20.549 10.489 -19.688 1.00 0.00 C ATOM 121 CG MET A 12 -21.166 11.570 -18.798 1.00 0.00 C ATOM 122 SD MET A 12 -20.571 13.179 -19.291 1.00 0.00 S ATOM 123 CE MET A 12 -19.168 13.338 -18.200 1.00 0.00 C ATOM 0 H MET A 12 -23.033 8.524 -19.990 1.00 0.00 H new ATOM 0 HA MET A 12 -22.460 10.559 -20.693 1.00 0.00 H new ATOM 0 HB2 MET A 12 -20.131 9.697 -19.067 1.00 0.00 H new ATOM 0 HB3 MET A 12 -19.725 10.912 -20.263 1.00 0.00 H new ATOM 0 HG2 MET A 12 -22.253 11.537 -18.872 1.00 0.00 H new ATOM 0 HG3 MET A 12 -20.911 11.383 -17.755 1.00 0.00 H new ATOM 0 HE1 MET A 12 -18.677 14.295 -18.376 1.00 0.00 H new ATOM 0 HE2 MET A 12 -19.505 13.289 -17.165 1.00 0.00 H new ATOM 0 HE3 MET A 12 -18.464 12.528 -18.392 1.00 0.00 H new ATOM 133 N ALA A 13 -21.171 10.833 -22.823 1.00 0.00 N ATOM 134 CA ALA A 13 -20.655 10.855 -24.181 1.00 0.00 C ATOM 135 C ALA A 13 -19.244 11.444 -24.176 1.00 0.00 C ATOM 136 O ALA A 13 -18.964 12.402 -24.896 1.00 0.00 O ATOM 137 CB ALA A 13 -21.613 11.642 -25.078 1.00 0.00 C ATOM 0 H ALA A 13 -21.665 11.680 -22.541 1.00 0.00 H new ATOM 0 HA ALA A 13 -20.588 9.844 -24.583 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -21.226 11.659 -26.097 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -22.593 11.166 -25.070 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -21.703 12.663 -24.707 1.00 0.00 H new ATOM 143 N SER A 14 -18.390 10.848 -23.356 1.00 0.00 N ATOM 144 CA SER A 14 -17.015 11.302 -23.248 1.00 0.00 C ATOM 145 C SER A 14 -16.209 10.331 -22.383 1.00 0.00 C ATOM 146 O SER A 14 -16.766 9.392 -21.814 1.00 0.00 O ATOM 147 CB SER A 14 -16.945 12.715 -22.665 1.00 0.00 C ATOM 148 OG SER A 14 -16.673 13.692 -23.666 1.00 0.00 O ATOM 0 H SER A 14 -18.625 10.054 -22.760 1.00 0.00 H new ATOM 0 HA SER A 14 -16.585 11.329 -24.249 1.00 0.00 H new ATOM 0 HB2 SER A 14 -17.889 12.952 -22.174 1.00 0.00 H new ATOM 0 HB3 SER A 14 -16.169 12.754 -21.900 1.00 0.00 H new ATOM 0 HG SER A 14 -17.310 13.590 -24.404 1.00 0.00 H new ATOM 154 N SER A 15 -14.912 10.589 -22.309 1.00 0.00 N ATOM 155 CA SER A 15 -14.025 9.750 -21.523 1.00 0.00 C ATOM 156 C SER A 15 -12.954 10.608 -20.847 1.00 0.00 C ATOM 157 O SER A 15 -11.796 10.604 -21.261 1.00 0.00 O ATOM 158 CB SER A 15 -13.371 8.673 -22.392 1.00 0.00 C ATOM 159 OG SER A 15 -12.617 9.236 -23.461 1.00 0.00 O ATOM 0 H SER A 15 -14.454 11.368 -22.781 1.00 0.00 H new ATOM 0 HA SER A 15 -14.618 9.250 -20.757 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.719 8.055 -21.774 1.00 0.00 H new ATOM 0 HB3 SER A 15 -14.141 8.017 -22.798 1.00 0.00 H new ATOM 0 HG SER A 15 -11.986 9.895 -23.104 1.00 0.00 H new ATOM 165 N PRO A 16 -13.391 11.344 -19.789 1.00 0.00 N ATOM 166 CA PRO A 16 -12.483 12.206 -19.052 1.00 0.00 C ATOM 167 C PRO A 16 -11.563 11.386 -18.145 1.00 0.00 C ATOM 168 O PRO A 16 -11.586 11.543 -16.926 1.00 0.00 O ATOM 169 CB PRO A 16 -13.383 13.157 -18.280 1.00 0.00 C ATOM 170 CG PRO A 16 -14.754 12.500 -18.248 1.00 0.00 C ATOM 171 CD PRO A 16 -14.755 11.374 -19.270 1.00 0.00 C ATOM 0 HA PRO A 16 -11.807 12.759 -19.704 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -13.005 13.320 -17.271 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -13.428 14.132 -18.765 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -14.968 12.112 -17.252 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -15.532 13.228 -18.481 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.025 10.423 -18.811 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.477 11.561 -20.065 1.00 0.00 H new ATOM 179 N GLN A 17 -10.774 10.529 -18.777 1.00 0.00 N ATOM 180 CA GLN A 17 -9.848 9.684 -18.043 1.00 0.00 C ATOM 181 C GLN A 17 -8.405 10.024 -18.422 1.00 0.00 C ATOM 182 O GLN A 17 -7.772 9.295 -19.184 1.00 0.00 O ATOM 183 CB GLN A 17 -10.145 8.203 -18.288 1.00 0.00 C ATOM 184 CG GLN A 17 -10.450 7.942 -19.764 1.00 0.00 C ATOM 185 CD GLN A 17 -10.114 6.498 -20.146 1.00 0.00 C ATOM 186 OE1 GLN A 17 -10.153 5.589 -19.334 1.00 0.00 O ATOM 187 NE2 GLN A 17 -9.783 6.340 -21.424 1.00 0.00 N ATOM 0 H GLN A 17 -10.757 10.402 -19.789 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.978 9.875 -16.978 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.291 7.601 -17.977 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.993 7.893 -17.677 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.504 8.139 -19.962 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.876 8.629 -20.385 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.770 7.145 -22.051 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.542 5.414 -21.778 1.00 0.00 H new ATOM 196 N ASP A 18 -7.927 11.130 -17.872 1.00 0.00 N ATOM 197 CA ASP A 18 -6.571 11.575 -18.142 1.00 0.00 C ATOM 198 C ASP A 18 -5.809 11.707 -16.822 1.00 0.00 C ATOM 199 O ASP A 18 -5.853 12.753 -16.177 1.00 0.00 O ATOM 200 CB ASP A 18 -6.567 12.943 -18.829 1.00 0.00 C ATOM 201 CG ASP A 18 -6.736 12.904 -20.349 1.00 0.00 C ATOM 202 OD1 ASP A 18 -6.251 11.920 -20.949 1.00 0.00 O ATOM 203 OD2 ASP A 18 -7.347 13.859 -20.876 1.00 0.00 O ATOM 0 H ASP A 18 -8.455 11.732 -17.240 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.099 10.841 -18.796 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.368 13.548 -18.405 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.629 13.447 -18.596 1.00 0.00 H new ATOM 208 N ILE A 19 -5.127 10.630 -16.460 1.00 0.00 N ATOM 209 CA ILE A 19 -4.357 10.611 -15.228 1.00 0.00 C ATOM 210 C ILE A 19 -3.038 11.356 -15.446 1.00 0.00 C ATOM 211 O ILE A 19 -2.617 11.562 -16.583 1.00 0.00 O ATOM 212 CB ILE A 19 -4.177 9.176 -14.729 1.00 0.00 C ATOM 213 CG1 ILE A 19 -5.528 8.472 -14.586 1.00 0.00 C ATOM 214 CG2 ILE A 19 -3.374 9.144 -13.428 1.00 0.00 C ATOM 215 CD1 ILE A 19 -6.372 9.123 -13.488 1.00 0.00 C ATOM 0 H ILE A 19 -5.092 9.764 -16.998 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.893 11.134 -14.436 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.604 8.625 -15.474 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.065 8.511 -15.534 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.371 7.419 -14.352 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.261 8.112 -13.096 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.390 9.581 -13.597 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.898 9.716 -12.663 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.327 8.604 -13.407 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.843 9.060 -12.537 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.548 10.170 -13.737 1.00 0.00 H new ATOM 227 N LYS A 20 -2.422 11.740 -14.337 1.00 0.00 N ATOM 228 CA LYS A 20 -1.160 12.457 -14.392 1.00 0.00 C ATOM 229 C LYS A 20 -0.032 11.473 -14.709 1.00 0.00 C ATOM 230 O LYS A 20 0.765 11.708 -15.616 1.00 0.00 O ATOM 231 CB LYS A 20 -0.938 13.252 -13.104 1.00 0.00 C ATOM 232 CG LYS A 20 -1.055 14.756 -13.360 1.00 0.00 C ATOM 233 CD LYS A 20 -0.255 15.552 -12.327 1.00 0.00 C ATOM 234 CE LYS A 20 -1.117 15.895 -11.111 1.00 0.00 C ATOM 235 NZ LYS A 20 -0.913 17.306 -10.713 1.00 0.00 N ATOM 0 H LYS A 20 -2.774 11.568 -13.395 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.176 13.194 -15.195 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.670 12.949 -12.355 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.047 13.024 -12.697 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.693 14.987 -14.362 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.103 15.054 -13.322 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.613 14.974 -12.010 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.121 16.469 -12.781 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.168 15.725 -11.343 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.863 15.236 -10.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.505 17.523 -9.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.087 17.457 -10.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.177 17.931 -11.501 1.00 0.00 H new ATOM 249 N PHE A 21 -0.001 10.392 -13.944 1.00 0.00 N ATOM 250 CA PHE A 21 1.016 9.371 -14.132 1.00 0.00 C ATOM 251 C PHE A 21 0.545 8.304 -15.123 1.00 0.00 C ATOM 252 O PHE A 21 1.335 7.472 -15.567 1.00 0.00 O ATOM 253 CB PHE A 21 1.250 8.716 -12.769 1.00 0.00 C ATOM 254 CG PHE A 21 1.395 9.713 -11.618 1.00 0.00 C ATOM 255 CD1 PHE A 21 2.594 10.311 -11.383 1.00 0.00 C ATOM 256 CD2 PHE A 21 0.326 10.000 -10.828 1.00 0.00 C ATOM 257 CE1 PHE A 21 2.729 11.236 -10.314 1.00 0.00 C ATOM 258 CE2 PHE A 21 0.461 10.925 -9.759 1.00 0.00 C ATOM 259 CZ PHE A 21 1.660 11.523 -9.525 1.00 0.00 C ATOM 0 H PHE A 21 -0.664 10.201 -13.193 1.00 0.00 H new ATOM 0 HA PHE A 21 1.926 9.821 -14.529 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.419 8.044 -12.552 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.150 8.103 -12.821 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.443 10.082 -12.010 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.626 9.524 -11.014 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.681 11.711 -10.128 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.388 11.154 -9.132 1.00 0.00 H new ATOM 0 HZ PHE A 21 1.763 12.226 -8.712 1.00 0.00 H new ATOM 269 N GLN A 22 -0.740 8.363 -15.440 1.00 0.00 N ATOM 270 CA GLN A 22 -1.326 7.412 -16.370 1.00 0.00 C ATOM 271 C GLN A 22 -0.655 6.045 -16.224 1.00 0.00 C ATOM 272 O GLN A 22 -0.409 5.360 -17.216 1.00 0.00 O ATOM 273 CB GLN A 22 -1.226 7.920 -17.810 1.00 0.00 C ATOM 274 CG GLN A 22 -1.972 9.245 -17.976 1.00 0.00 C ATOM 275 CD GLN A 22 -2.477 9.414 -19.411 1.00 0.00 C ATOM 276 OE1 GLN A 22 -2.057 8.728 -20.329 1.00 0.00 O ATOM 277 NE2 GLN A 22 -3.398 10.363 -19.553 1.00 0.00 N ATOM 0 H GLN A 22 -1.392 9.054 -15.070 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.384 7.304 -16.130 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.179 8.052 -18.081 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.641 7.177 -18.491 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.813 9.282 -17.284 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.311 10.073 -17.719 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.705 10.901 -18.743 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.797 10.553 -20.472 1.00 0.00 H new ATOM 286 N ASP A 23 -0.378 5.687 -14.978 1.00 0.00 N ATOM 287 CA ASP A 23 0.259 4.414 -14.689 1.00 0.00 C ATOM 288 C ASP A 23 0.700 4.390 -13.224 1.00 0.00 C ATOM 289 O ASP A 23 1.832 4.019 -12.919 1.00 0.00 O ATOM 290 CB ASP A 23 1.501 4.209 -15.560 1.00 0.00 C ATOM 291 CG ASP A 23 1.264 3.421 -16.849 1.00 0.00 C ATOM 292 OD1 ASP A 23 0.202 2.765 -16.927 1.00 0.00 O ATOM 293 OD2 ASP A 23 2.149 3.491 -17.729 1.00 0.00 O ATOM 0 H ASP A 23 -0.583 6.257 -14.157 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.461 3.622 -14.895 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.910 5.186 -15.819 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.259 3.693 -14.970 1.00 0.00 H new ATOM 298 N LEU A 24 -0.218 4.790 -12.357 1.00 0.00 N ATOM 299 CA LEU A 24 0.061 4.819 -10.932 1.00 0.00 C ATOM 300 C LEU A 24 -1.228 4.540 -10.157 1.00 0.00 C ATOM 301 O LEU A 24 -1.662 5.360 -9.350 1.00 0.00 O ATOM 302 CB LEU A 24 0.738 6.136 -10.545 1.00 0.00 C ATOM 303 CG LEU A 24 1.854 6.037 -9.503 1.00 0.00 C ATOM 304 CD1 LEU A 24 1.289 5.679 -8.127 1.00 0.00 C ATOM 305 CD2 LEU A 24 2.936 5.053 -9.952 1.00 0.00 C ATOM 0 H LEU A 24 -1.156 5.097 -12.614 1.00 0.00 H new ATOM 0 HA LEU A 24 0.768 4.033 -10.667 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.150 6.588 -11.447 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.025 6.816 -10.167 1.00 0.00 H new ATOM 0 HG LEU A 24 2.325 7.016 -9.412 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.103 5.615 -7.405 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.584 6.448 -7.812 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.777 4.718 -8.183 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.718 5.001 -9.194 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.496 4.065 -10.088 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.367 5.391 -10.895 1.00 0.00 H new ATOM 317 N VAL A 25 -1.805 3.379 -10.431 1.00 0.00 N ATOM 318 CA VAL A 25 -3.037 2.981 -9.770 1.00 0.00 C ATOM 319 C VAL A 25 -2.724 2.546 -8.337 1.00 0.00 C ATOM 320 O VAL A 25 -2.031 1.553 -8.124 1.00 0.00 O ATOM 321 CB VAL A 25 -3.740 1.894 -10.585 1.00 0.00 C ATOM 322 CG1 VAL A 25 -5.214 1.781 -10.192 1.00 0.00 C ATOM 323 CG2 VAL A 25 -3.591 2.151 -12.086 1.00 0.00 C ATOM 0 H VAL A 25 -1.442 2.701 -11.101 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.728 3.822 -9.711 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.259 0.942 -10.359 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.690 1.001 -10.786 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.290 1.529 -9.134 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.713 2.732 -10.375 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.100 1.364 -12.642 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.033 3.116 -12.336 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.534 2.157 -12.351 1.00 0.00 H new ATOM 333 N VAL A 26 -3.251 3.311 -7.392 1.00 0.00 N ATOM 334 CA VAL A 26 -3.036 3.017 -5.986 1.00 0.00 C ATOM 335 C VAL A 26 -4.366 2.615 -5.345 1.00 0.00 C ATOM 336 O VAL A 26 -5.282 3.429 -5.244 1.00 0.00 O ATOM 337 CB VAL A 26 -2.377 4.213 -5.295 1.00 0.00 C ATOM 338 CG1 VAL A 26 -2.316 4.006 -3.781 1.00 0.00 C ATOM 339 CG2 VAL A 26 -0.985 4.478 -5.870 1.00 0.00 C ATOM 0 H VAL A 26 -3.826 4.134 -7.573 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.352 2.176 -5.872 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.992 5.092 -5.487 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.843 4.870 -3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.326 3.889 -3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.735 3.111 -3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.538 5.333 -5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.357 3.599 -5.722 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.066 4.691 -6.936 1.00 0.00 H new ATOM 349 N PHE A 27 -4.430 1.359 -4.928 1.00 0.00 N ATOM 350 CA PHE A 27 -5.632 0.839 -4.299 1.00 0.00 C ATOM 351 C PHE A 27 -5.438 0.683 -2.790 1.00 0.00 C ATOM 352 O PHE A 27 -4.664 -0.163 -2.344 1.00 0.00 O ATOM 353 CB PHE A 27 -5.898 -0.537 -4.912 1.00 0.00 C ATOM 354 CG PHE A 27 -7.043 -1.304 -4.248 1.00 0.00 C ATOM 355 CD1 PHE A 27 -8.333 -0.984 -4.537 1.00 0.00 C ATOM 356 CD2 PHE A 27 -6.772 -2.305 -3.369 1.00 0.00 C ATOM 357 CE1 PHE A 27 -9.396 -1.695 -3.920 1.00 0.00 C ATOM 358 CE2 PHE A 27 -7.835 -3.016 -2.752 1.00 0.00 C ATOM 359 CZ PHE A 27 -9.125 -2.696 -3.041 1.00 0.00 C ATOM 0 H PHE A 27 -3.668 0.686 -5.014 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.463 1.525 -4.462 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.123 -0.414 -5.971 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.989 -1.134 -4.847 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.549 -0.189 -5.236 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.748 -2.560 -3.140 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -10.420 -1.440 -4.149 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.619 -3.811 -2.053 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.934 -3.237 -2.572 1.00 0.00 H new ATOM 369 N ILE A 28 -6.155 1.511 -2.044 1.00 0.00 N ATOM 370 CA ILE A 28 -6.071 1.476 -0.594 1.00 0.00 C ATOM 371 C ILE A 28 -6.882 0.289 -0.070 1.00 0.00 C ATOM 372 O ILE A 28 -7.892 -0.088 -0.662 1.00 0.00 O ATOM 373 CB ILE A 28 -6.495 2.820 0.000 1.00 0.00 C ATOM 374 CG1 ILE A 28 -5.368 3.849 -0.112 1.00 0.00 C ATOM 375 CG2 ILE A 28 -6.978 2.655 1.442 1.00 0.00 C ATOM 376 CD1 ILE A 28 -5.929 5.253 -0.352 1.00 0.00 C ATOM 0 H ILE A 28 -6.797 2.210 -2.417 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.040 1.324 -0.275 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.337 3.199 -0.580 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.773 3.843 0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.701 3.575 -0.929 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.273 3.626 1.840 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.832 1.978 1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.173 2.243 2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.107 5.965 -0.428 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.503 5.262 -1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.576 5.533 0.479 1.00 0.00 H new ATOM 388 N LEU A 29 -6.409 -0.268 1.036 1.00 0.00 N ATOM 389 CA LEU A 29 -7.077 -1.404 1.646 1.00 0.00 C ATOM 390 C LEU A 29 -7.801 -0.945 2.914 1.00 0.00 C ATOM 391 O LEU A 29 -7.163 -0.540 3.884 1.00 0.00 O ATOM 392 CB LEU A 29 -6.086 -2.545 1.884 1.00 0.00 C ATOM 393 CG LEU A 29 -6.671 -3.832 2.467 1.00 0.00 C ATOM 394 CD1 LEU A 29 -7.361 -4.662 1.383 1.00 0.00 C ATOM 395 CD2 LEU A 29 -5.600 -4.635 3.209 1.00 0.00 C ATOM 0 H LEU A 29 -5.571 0.047 1.525 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.835 -1.805 0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.605 -2.785 0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.306 -2.187 2.556 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.433 -3.560 3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.768 -5.571 1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.169 -4.081 0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.638 -4.926 0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.043 -5.545 3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.798 -4.897 2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.195 -4.035 4.024 1.00 0.00 H new ATOM 407 N GLU A 30 -9.122 -1.023 2.864 1.00 0.00 N ATOM 408 CA GLU A 30 -9.939 -0.619 3.996 1.00 0.00 C ATOM 409 C GLU A 30 -9.466 -1.324 5.269 1.00 0.00 C ATOM 410 O GLU A 30 -9.235 -0.678 6.291 1.00 0.00 O ATOM 411 CB GLU A 30 -11.420 -0.901 3.732 1.00 0.00 C ATOM 412 CG GLU A 30 -12.293 -0.344 4.858 1.00 0.00 C ATOM 413 CD GLU A 30 -12.805 -1.468 5.761 1.00 0.00 C ATOM 414 OE1 GLU A 30 -13.870 -2.027 5.422 1.00 0.00 O ATOM 415 OE2 GLU A 30 -12.120 -1.742 6.770 1.00 0.00 O ATOM 0 H GLU A 30 -9.648 -1.360 2.057 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.827 0.456 4.135 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.715 -0.454 2.783 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.579 -1.976 3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.719 0.369 5.449 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.137 0.200 4.434 1.00 0.00 H new ATOM 422 N LYS A 31 -9.335 -2.638 5.167 1.00 0.00 N ATOM 423 CA LYS A 31 -8.894 -3.437 6.297 1.00 0.00 C ATOM 424 C LYS A 31 -7.856 -2.648 7.099 1.00 0.00 C ATOM 425 O LYS A 31 -6.872 -2.164 6.541 1.00 0.00 O ATOM 426 CB LYS A 31 -8.397 -4.805 5.826 1.00 0.00 C ATOM 427 CG LYS A 31 -9.515 -5.584 5.131 1.00 0.00 C ATOM 428 CD LYS A 31 -9.316 -7.092 5.294 1.00 0.00 C ATOM 429 CE LYS A 31 -10.659 -7.825 5.298 1.00 0.00 C ATOM 430 NZ LYS A 31 -11.124 -8.048 6.686 1.00 0.00 N ATOM 0 H LYS A 31 -9.527 -3.170 4.318 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.729 -3.641 6.968 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.559 -4.676 5.141 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.027 -5.375 6.678 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.479 -5.294 5.548 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.537 -5.329 4.071 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.694 -7.470 4.483 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.785 -7.294 6.224 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.399 -7.243 4.749 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.560 -8.781 4.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.037 -8.547 6.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.424 -8.622 7.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.238 -7.132 7.165 1.00 0.00 H new ATOM 444 N LYS A 32 -8.110 -2.544 8.395 1.00 0.00 N ATOM 445 CA LYS A 32 -7.210 -1.823 9.278 1.00 0.00 C ATOM 446 C LYS A 32 -7.182 -0.347 8.876 1.00 0.00 C ATOM 447 O LYS A 32 -6.114 0.213 8.630 1.00 0.00 O ATOM 448 CB LYS A 32 -5.830 -2.483 9.293 1.00 0.00 C ATOM 449 CG LYS A 32 -5.936 -3.967 9.648 1.00 0.00 C ATOM 450 CD LYS A 32 -5.104 -4.295 10.889 1.00 0.00 C ATOM 451 CE LYS A 32 -5.771 -3.754 12.155 1.00 0.00 C ATOM 452 NZ LYS A 32 -5.146 -4.340 13.362 1.00 0.00 N ATOM 0 H LYS A 32 -8.926 -2.947 8.855 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.569 -1.867 10.306 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.359 -2.372 8.316 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.189 -1.977 10.015 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.979 -4.228 9.826 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.595 -4.571 8.807 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.979 -5.375 10.972 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.107 -3.866 10.787 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.683 -2.668 12.184 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.836 -3.987 12.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.611 -3.962 14.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.252 -5.374 13.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.135 -4.096 13.383 1.00 0.00 H new ATOM 466 N MET A 33 -8.367 0.242 8.822 1.00 0.00 N ATOM 467 CA MET A 33 -8.492 1.642 8.454 1.00 0.00 C ATOM 468 C MET A 33 -9.953 2.093 8.497 1.00 0.00 C ATOM 469 O MET A 33 -10.337 2.885 9.356 1.00 0.00 O ATOM 470 CB MET A 33 -7.934 1.851 7.045 1.00 0.00 C ATOM 471 CG MET A 33 -7.622 3.327 6.792 1.00 0.00 C ATOM 472 SD MET A 33 -7.355 3.605 5.049 1.00 0.00 S ATOM 473 CE MET A 33 -5.849 2.677 4.814 1.00 0.00 C ATOM 0 H MET A 33 -9.250 -0.225 9.027 1.00 0.00 H new ATOM 0 HA MET A 33 -7.927 2.238 9.171 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.029 1.257 6.917 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.655 1.497 6.308 1.00 0.00 H new ATOM 0 HG2 MET A 33 -8.446 3.947 7.145 1.00 0.00 H new ATOM 0 HG3 MET A 33 -6.737 3.622 7.355 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.164 3.248 4.187 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.384 2.487 5.781 1.00 0.00 H new ATOM 0 HE3 MET A 33 -6.078 1.728 4.329 1.00 0.00 H new ATOM 483 N GLY A 34 -10.729 1.568 7.560 1.00 0.00 N ATOM 484 CA GLY A 34 -12.139 1.906 7.480 1.00 0.00 C ATOM 485 C GLY A 34 -12.469 2.571 6.142 1.00 0.00 C ATOM 486 O GLY A 34 -11.592 2.740 5.296 1.00 0.00 O ATOM 0 H GLY A 34 -10.407 0.911 6.850 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.740 1.005 7.600 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.403 2.576 8.298 1.00 0.00 H new ATOM 490 N THR A 35 -13.735 2.931 5.992 1.00 0.00 N ATOM 491 CA THR A 35 -14.191 3.574 4.771 1.00 0.00 C ATOM 492 C THR A 35 -13.748 5.038 4.742 1.00 0.00 C ATOM 493 O THR A 35 -13.076 5.468 3.805 1.00 0.00 O ATOM 494 CB THR A 35 -15.708 3.396 4.682 1.00 0.00 C ATOM 495 OG1 THR A 35 -15.879 2.013 4.385 1.00 0.00 O ATOM 496 CG2 THR A 35 -16.311 4.113 3.472 1.00 0.00 C ATOM 0 H THR A 35 -14.460 2.790 6.696 1.00 0.00 H new ATOM 0 HA THR A 35 -13.743 3.114 3.890 1.00 0.00 H new ATOM 0 HB THR A 35 -16.171 3.770 5.595 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.835 1.810 4.312 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.389 3.955 3.456 1.00 0.00 H new ATOM 0 HG22 THR A 35 -16.102 5.181 3.540 1.00 0.00 H new ATOM 0 HG23 THR A 35 -15.872 3.715 2.557 1.00 0.00 H new ATOM 504 N THR A 36 -14.142 5.763 5.778 1.00 0.00 N ATOM 505 CA THR A 36 -13.794 7.170 5.882 1.00 0.00 C ATOM 506 C THR A 36 -12.357 7.400 5.412 1.00 0.00 C ATOM 507 O THR A 36 -12.132 7.994 4.358 1.00 0.00 O ATOM 508 CB THR A 36 -14.039 7.611 7.327 1.00 0.00 C ATOM 509 OG1 THR A 36 -15.458 7.688 7.431 1.00 0.00 O ATOM 510 CG2 THR A 36 -13.567 9.043 7.589 1.00 0.00 C ATOM 0 H THR A 36 -14.699 5.403 6.553 1.00 0.00 H new ATOM 0 HA THR A 36 -14.417 7.781 5.230 1.00 0.00 H new ATOM 0 HB THR A 36 -13.527 6.930 8.007 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.705 7.966 8.338 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.764 9.307 8.628 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.497 9.115 7.393 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.103 9.729 6.933 1.00 0.00 H new ATOM 518 N ARG A 37 -11.421 6.917 6.215 1.00 0.00 N ATOM 519 CA ARG A 37 -10.011 7.063 5.894 1.00 0.00 C ATOM 520 C ARG A 37 -9.731 6.539 4.484 1.00 0.00 C ATOM 521 O ARG A 37 -9.297 7.291 3.613 1.00 0.00 O ATOM 522 CB ARG A 37 -9.137 6.305 6.895 1.00 0.00 C ATOM 523 CG ARG A 37 -8.533 7.259 7.928 1.00 0.00 C ATOM 524 CD ARG A 37 -7.108 6.841 8.294 1.00 0.00 C ATOM 525 NE ARG A 37 -6.569 7.739 9.340 1.00 0.00 N ATOM 526 CZ ARG A 37 -6.019 8.936 9.092 1.00 0.00 C ATOM 527 NH1 ARG A 37 -5.932 9.385 7.833 1.00 0.00 N ATOM 528 NH2 ARG A 37 -5.557 9.683 10.104 1.00 0.00 N ATOM 0 H ARG A 37 -11.611 6.424 7.088 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.767 8.124 5.946 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.733 5.545 7.401 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.339 5.784 6.365 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.527 8.274 7.531 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.154 7.271 8.824 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.103 5.811 8.650 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.472 6.876 7.410 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.619 7.428 10.310 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.284 8.816 7.063 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.514 10.296 7.644 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.624 9.341 11.063 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.138 10.594 9.916 1.00 0.00 H new ATOM 542 N ARG A 38 -9.990 5.252 4.303 1.00 0.00 N ATOM 543 CA ARG A 38 -9.772 4.618 3.014 1.00 0.00 C ATOM 544 C ARG A 38 -10.177 5.565 1.882 1.00 0.00 C ATOM 545 O ARG A 38 -9.355 5.916 1.037 1.00 0.00 O ATOM 546 CB ARG A 38 -10.572 3.320 2.896 1.00 0.00 C ATOM 547 CG ARG A 38 -10.583 2.812 1.453 1.00 0.00 C ATOM 548 CD ARG A 38 -11.199 1.414 1.368 1.00 0.00 C ATOM 549 NE ARG A 38 -11.615 1.128 -0.023 1.00 0.00 N ATOM 550 CZ ARG A 38 -12.806 1.466 -0.536 1.00 0.00 C ATOM 551 NH1 ARG A 38 -13.706 2.105 0.225 1.00 0.00 N ATOM 552 NH2 ARG A 38 -13.098 1.167 -1.809 1.00 0.00 N ATOM 0 H ARG A 38 -10.349 4.631 5.028 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.710 4.384 2.934 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.140 2.562 3.549 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.595 3.487 3.234 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.148 3.501 0.826 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.565 2.789 1.064 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.477 0.669 1.701 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.058 1.345 2.035 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.954 0.643 -0.630 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.484 2.334 1.194 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.613 2.363 -0.165 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.413 0.682 -2.389 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.005 1.425 -2.198 1.00 0.00 H new ATOM 566 N ALA A 39 -11.445 5.950 1.902 1.00 0.00 N ATOM 567 CA ALA A 39 -11.969 6.849 0.888 1.00 0.00 C ATOM 568 C ALA A 39 -11.195 8.168 0.931 1.00 0.00 C ATOM 569 O ALA A 39 -10.780 8.682 -0.106 1.00 0.00 O ATOM 570 CB ALA A 39 -13.470 7.046 1.107 1.00 0.00 C ATOM 0 H ALA A 39 -12.124 5.656 2.604 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.838 6.423 -0.107 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.863 7.720 0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.977 6.084 1.036 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.640 7.474 2.095 1.00 0.00 H new ATOM 576 N LEU A 40 -11.024 8.677 2.142 1.00 0.00 N ATOM 577 CA LEU A 40 -10.307 9.926 2.334 1.00 0.00 C ATOM 578 C LEU A 40 -8.951 9.844 1.631 1.00 0.00 C ATOM 579 O LEU A 40 -8.730 10.512 0.622 1.00 0.00 O ATOM 580 CB LEU A 40 -10.208 10.263 3.823 1.00 0.00 C ATOM 581 CG LEU A 40 -9.763 11.687 4.161 1.00 0.00 C ATOM 582 CD1 LEU A 40 -10.098 12.651 3.021 1.00 0.00 C ATOM 583 CD2 LEU A 40 -10.357 12.147 5.493 1.00 0.00 C ATOM 0 H LEU A 40 -11.370 8.247 3.000 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.853 10.752 1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.183 10.090 4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.510 9.566 4.287 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.679 11.687 4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.771 13.656 3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.587 12.332 2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.175 12.653 2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.024 13.162 5.708 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.445 12.127 5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.026 11.480 6.289 1.00 0.00 H new ATOM 595 N LEU A 41 -8.078 9.019 2.191 1.00 0.00 N ATOM 596 CA LEU A 41 -6.750 8.841 1.629 1.00 0.00 C ATOM 597 C LEU A 41 -6.863 8.642 0.117 1.00 0.00 C ATOM 598 O LEU A 41 -6.117 9.249 -0.651 1.00 0.00 O ATOM 599 CB LEU A 41 -6.013 7.708 2.346 1.00 0.00 C ATOM 600 CG LEU A 41 -5.638 7.970 3.806 1.00 0.00 C ATOM 601 CD1 LEU A 41 -5.128 6.694 4.478 1.00 0.00 C ATOM 602 CD2 LEU A 41 -4.632 9.117 3.917 1.00 0.00 C ATOM 0 H LEU A 41 -8.265 8.467 3.028 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.146 9.734 1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.635 6.814 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.101 7.486 1.792 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.537 8.278 4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.868 6.908 5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.906 5.931 4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.246 6.333 3.950 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.383 9.282 4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.727 8.862 3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.068 10.025 3.500 1.00 0.00 H new ATOM 614 N MET A 42 -7.801 7.789 -0.267 1.00 0.00 N ATOM 615 CA MET A 42 -8.021 7.502 -1.674 1.00 0.00 C ATOM 616 C MET A 42 -8.339 8.781 -2.452 1.00 0.00 C ATOM 617 O MET A 42 -7.850 8.972 -3.565 1.00 0.00 O ATOM 618 CB MET A 42 -9.182 6.515 -1.819 1.00 0.00 C ATOM 619 CG MET A 42 -8.684 5.070 -1.747 1.00 0.00 C ATOM 620 SD MET A 42 -9.627 4.043 -2.862 1.00 0.00 S ATOM 621 CE MET A 42 -11.226 4.827 -2.728 1.00 0.00 C ATOM 0 H MET A 42 -8.418 7.287 0.372 1.00 0.00 H new ATOM 0 HA MET A 42 -7.109 7.067 -2.083 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.914 6.691 -1.031 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.690 6.682 -2.769 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.626 5.028 -2.007 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.777 4.695 -0.728 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.901 4.183 -2.165 1.00 0.00 H new ATOM 0 HE2 MET A 42 -11.121 5.781 -2.212 1.00 0.00 H new ATOM 0 HE3 MET A 42 -11.633 4.996 -3.725 1.00 0.00 H new ATOM 631 N GLU A 43 -9.155 9.623 -1.835 1.00 0.00 N ATOM 632 CA GLU A 43 -9.543 10.878 -2.456 1.00 0.00 C ATOM 633 C GLU A 43 -8.395 11.886 -2.377 1.00 0.00 C ATOM 634 O GLU A 43 -8.184 12.666 -3.305 1.00 0.00 O ATOM 635 CB GLU A 43 -10.811 11.440 -1.810 1.00 0.00 C ATOM 636 CG GLU A 43 -10.831 12.968 -1.879 1.00 0.00 C ATOM 637 CD GLU A 43 -12.220 13.514 -1.541 1.00 0.00 C ATOM 638 OE1 GLU A 43 -12.463 13.741 -0.336 1.00 0.00 O ATOM 639 OE2 GLU A 43 -13.007 13.692 -2.496 1.00 0.00 O ATOM 0 H GLU A 43 -9.558 9.461 -0.912 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.763 10.689 -3.507 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.689 11.038 -2.315 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.867 11.119 -0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.097 13.377 -1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.541 13.294 -2.878 1.00 0.00 H new ATOM 646 N LEU A 44 -7.683 11.839 -1.261 1.00 0.00 N ATOM 647 CA LEU A 44 -6.562 12.738 -1.049 1.00 0.00 C ATOM 648 C LEU A 44 -5.506 12.492 -2.128 1.00 0.00 C ATOM 649 O LEU A 44 -5.004 13.436 -2.738 1.00 0.00 O ATOM 650 CB LEU A 44 -6.027 12.601 0.378 1.00 0.00 C ATOM 651 CG LEU A 44 -6.981 13.029 1.495 1.00 0.00 C ATOM 652 CD1 LEU A 44 -6.221 13.722 2.629 1.00 0.00 C ATOM 653 CD2 LEU A 44 -8.112 13.900 0.947 1.00 0.00 C ATOM 0 H LEU A 44 -7.861 11.192 -0.493 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.882 13.775 -1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.750 11.560 0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.114 13.191 0.461 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.440 12.133 1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.922 14.016 3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.482 13.036 3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.717 14.607 2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.775 14.190 1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.692 14.794 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.676 13.338 0.203 1.00 0.00 H new ATOM 665 N ALA A 45 -5.199 11.220 -2.331 1.00 0.00 N ATOM 666 CA ALA A 45 -4.211 10.838 -3.326 1.00 0.00 C ATOM 667 C ALA A 45 -4.664 11.329 -4.703 1.00 0.00 C ATOM 668 O ALA A 45 -3.920 12.024 -5.393 1.00 0.00 O ATOM 669 CB ALA A 45 -4.005 9.322 -3.286 1.00 0.00 C ATOM 0 H ALA A 45 -5.617 10.440 -1.824 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.249 11.303 -3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.264 9.036 -4.032 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.655 9.028 -2.296 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.949 8.821 -3.501 1.00 0.00 H new ATOM 675 N ARG A 46 -5.881 10.947 -5.061 1.00 0.00 N ATOM 676 CA ARG A 46 -6.442 11.339 -6.343 1.00 0.00 C ATOM 677 C ARG A 46 -6.230 12.836 -6.578 1.00 0.00 C ATOM 678 O ARG A 46 -5.848 13.248 -7.672 1.00 0.00 O ATOM 679 CB ARG A 46 -7.938 11.026 -6.409 1.00 0.00 C ATOM 680 CG ARG A 46 -8.176 9.529 -6.617 1.00 0.00 C ATOM 681 CD ARG A 46 -9.665 9.231 -6.804 1.00 0.00 C ATOM 682 NE ARG A 46 -9.861 8.347 -7.975 1.00 0.00 N ATOM 683 CZ ARG A 46 -9.907 8.779 -9.243 1.00 0.00 C ATOM 684 NH1 ARG A 46 -9.772 10.085 -9.511 1.00 0.00 N ATOM 685 NH2 ARG A 46 -10.089 7.905 -10.242 1.00 0.00 N ATOM 0 H ARG A 46 -6.494 10.370 -4.486 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.929 10.769 -7.118 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.422 11.350 -5.488 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.395 11.587 -7.224 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.621 9.187 -7.490 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.795 8.974 -5.760 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.065 8.756 -5.908 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.216 10.161 -6.944 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.968 7.347 -7.806 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.634 10.750 -8.750 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.807 10.414 -10.476 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.193 6.911 -10.038 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.124 8.234 -11.207 1.00 0.00 H new ATOM 699 N ARG A 47 -6.489 13.609 -5.534 1.00 0.00 N ATOM 700 CA ARG A 47 -6.332 15.052 -5.614 1.00 0.00 C ATOM 701 C ARG A 47 -4.901 15.408 -6.023 1.00 0.00 C ATOM 702 O ARG A 47 -4.657 16.484 -6.566 1.00 0.00 O ATOM 703 CB ARG A 47 -6.652 15.716 -4.273 1.00 0.00 C ATOM 704 CG ARG A 47 -8.159 15.722 -4.010 1.00 0.00 C ATOM 705 CD ARG A 47 -8.469 16.250 -2.608 1.00 0.00 C ATOM 706 NE ARG A 47 -9.079 17.595 -2.697 1.00 0.00 N ATOM 707 CZ ARG A 47 -9.105 18.476 -1.688 1.00 0.00 C ATOM 708 NH1 ARG A 47 -8.556 18.160 -0.507 1.00 0.00 N ATOM 709 NH2 ARG A 47 -9.681 19.674 -1.859 1.00 0.00 N ATOM 0 H ARG A 47 -6.806 13.264 -4.628 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.031 15.421 -6.365 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.141 15.186 -3.469 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.275 16.739 -4.270 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.659 16.341 -4.755 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.555 14.712 -4.118 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.147 15.568 -2.095 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.554 16.295 -2.017 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.506 17.869 -3.582 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.118 17.248 -0.376 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.576 18.831 0.261 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.100 19.915 -2.757 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.701 20.345 -1.091 1.00 0.00 H new ATOM 723 N LYS A 48 -3.993 14.484 -5.746 1.00 0.00 N ATOM 724 CA LYS A 48 -2.593 14.687 -6.078 1.00 0.00 C ATOM 725 C LYS A 48 -2.349 14.254 -7.525 1.00 0.00 C ATOM 726 O LYS A 48 -1.203 14.114 -7.950 1.00 0.00 O ATOM 727 CB LYS A 48 -1.693 13.979 -5.064 1.00 0.00 C ATOM 728 CG LYS A 48 -1.803 14.631 -3.684 1.00 0.00 C ATOM 729 CD LYS A 48 -1.209 16.041 -3.695 1.00 0.00 C ATOM 730 CE LYS A 48 -0.897 16.516 -2.275 1.00 0.00 C ATOM 731 NZ LYS A 48 -1.373 17.903 -2.076 1.00 0.00 N ATOM 0 H LYS A 48 -4.199 13.593 -5.295 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.336 15.744 -6.013 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.972 12.927 -4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.658 14.013 -5.405 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.849 14.676 -3.381 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.283 14.019 -2.946 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.298 16.051 -4.294 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.909 16.730 -4.167 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.373 15.855 -1.551 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.177 16.465 -2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.153 18.210 -1.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.900 18.533 -2.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.401 17.942 -2.227 1.00 0.00 H new ATOM 745 N GLY A 49 -3.445 14.054 -8.242 1.00 0.00 N ATOM 746 CA GLY A 49 -3.364 13.640 -9.633 1.00 0.00 C ATOM 747 C GLY A 49 -3.157 12.128 -9.743 1.00 0.00 C ATOM 748 O GLY A 49 -3.207 11.569 -10.838 1.00 0.00 O ATOM 0 H GLY A 49 -4.394 14.171 -7.886 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.278 13.925 -10.155 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.541 14.160 -10.124 1.00 0.00 H new ATOM 752 N PHE A 50 -2.928 11.509 -8.594 1.00 0.00 N ATOM 753 CA PHE A 50 -2.713 10.073 -8.548 1.00 0.00 C ATOM 754 C PHE A 50 -3.967 9.316 -8.991 1.00 0.00 C ATOM 755 O PHE A 50 -5.043 9.902 -9.104 1.00 0.00 O ATOM 756 CB PHE A 50 -2.403 9.713 -7.093 1.00 0.00 C ATOM 757 CG PHE A 50 -0.909 9.664 -6.769 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.062 8.965 -7.573 1.00 0.00 C ATOM 759 CD2 PHE A 50 -0.427 10.318 -5.679 1.00 0.00 C ATOM 760 CE1 PHE A 50 1.325 8.919 -7.272 1.00 0.00 C ATOM 761 CE2 PHE A 50 0.960 10.272 -5.378 1.00 0.00 C ATOM 762 CZ PHE A 50 1.807 9.573 -6.181 1.00 0.00 C ATOM 0 H PHE A 50 -2.887 11.976 -7.688 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.899 9.798 -9.218 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.882 10.442 -6.439 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.845 8.743 -6.867 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.444 8.446 -8.439 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.099 10.873 -5.042 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.998 8.364 -7.910 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.342 10.792 -4.512 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.862 9.537 -5.952 1.00 0.00 H new ATOM 772 N ARG A 51 -3.786 8.025 -9.231 1.00 0.00 N ATOM 773 CA ARG A 51 -4.890 7.182 -9.660 1.00 0.00 C ATOM 774 C ARG A 51 -5.198 6.129 -8.595 1.00 0.00 C ATOM 775 O ARG A 51 -4.360 5.279 -8.296 1.00 0.00 O ATOM 776 CB ARG A 51 -4.566 6.482 -10.982 1.00 0.00 C ATOM 777 CG ARG A 51 -5.722 5.582 -11.422 1.00 0.00 C ATOM 778 CD ARG A 51 -5.405 4.893 -12.751 1.00 0.00 C ATOM 779 NE ARG A 51 -6.469 5.183 -13.738 1.00 0.00 N ATOM 780 CZ ARG A 51 -7.750 4.822 -13.589 1.00 0.00 C ATOM 781 NH1 ARG A 51 -8.135 4.155 -12.493 1.00 0.00 N ATOM 782 NH2 ARG A 51 -8.647 5.128 -14.537 1.00 0.00 N ATOM 0 H ARG A 51 -2.892 7.543 -9.137 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.760 7.822 -9.805 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.366 7.226 -11.753 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.659 5.887 -10.870 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.915 4.831 -10.656 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.631 6.175 -11.523 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.443 5.239 -13.129 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.320 3.817 -12.601 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.210 5.690 -14.585 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.452 3.922 -11.772 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.111 3.880 -12.380 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.354 5.636 -15.372 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.623 4.853 -14.424 1.00 0.00 H new ATOM 796 N VAL A 52 -6.403 6.218 -8.051 1.00 0.00 N ATOM 797 CA VAL A 52 -6.832 5.283 -7.025 1.00 0.00 C ATOM 798 C VAL A 52 -8.184 4.686 -7.418 1.00 0.00 C ATOM 799 O VAL A 52 -8.927 5.282 -8.198 1.00 0.00 O ATOM 800 CB VAL A 52 -6.859 5.977 -5.662 1.00 0.00 C ATOM 801 CG1 VAL A 52 -6.129 7.321 -5.717 1.00 0.00 C ATOM 802 CG2 VAL A 52 -8.295 6.153 -5.164 1.00 0.00 C ATOM 0 H VAL A 52 -7.096 6.923 -8.302 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.124 4.458 -6.941 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.334 5.339 -4.951 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.163 7.794 -4.735 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.091 7.159 -6.006 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.613 7.968 -6.448 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.285 6.649 -4.193 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.855 6.760 -5.876 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.769 5.176 -5.068 1.00 0.00 H new ATOM 812 N GLU A 53 -8.464 3.517 -6.862 1.00 0.00 N ATOM 813 CA GLU A 53 -9.714 2.833 -7.145 1.00 0.00 C ATOM 814 C GLU A 53 -10.350 2.330 -5.847 1.00 0.00 C ATOM 815 O GLU A 53 -9.653 2.095 -4.861 1.00 0.00 O ATOM 816 CB GLU A 53 -9.499 1.683 -8.131 1.00 0.00 C ATOM 817 CG GLU A 53 -8.717 2.154 -9.359 1.00 0.00 C ATOM 818 CD GLU A 53 -9.662 2.653 -10.454 1.00 0.00 C ATOM 819 OE1 GLU A 53 -10.290 3.709 -10.223 1.00 0.00 O ATOM 820 OE2 GLU A 53 -9.735 1.968 -11.497 1.00 0.00 O ATOM 0 H GLU A 53 -7.846 3.026 -6.216 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.397 3.544 -7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.959 0.874 -7.640 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -10.463 1.280 -8.442 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.032 2.952 -9.074 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.110 1.335 -9.744 1.00 0.00 H new ATOM 827 N ASN A 54 -11.666 2.180 -5.890 1.00 0.00 N ATOM 828 CA ASN A 54 -12.403 1.709 -4.729 1.00 0.00 C ATOM 829 C ASN A 54 -12.308 0.184 -4.654 1.00 0.00 C ATOM 830 O ASN A 54 -12.258 -0.385 -3.565 1.00 0.00 O ATOM 831 CB ASN A 54 -13.883 2.086 -4.827 1.00 0.00 C ATOM 832 CG ASN A 54 -14.198 3.299 -3.950 1.00 0.00 C ATOM 833 OD1 ASN A 54 -14.090 3.265 -2.736 1.00 0.00 O ATOM 834 ND2 ASN A 54 -14.594 4.371 -4.631 1.00 0.00 N ATOM 0 H ASN A 54 -12.241 2.376 -6.710 1.00 0.00 H new ATOM 0 HA ASN A 54 -11.970 2.173 -3.843 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.138 2.306 -5.864 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.499 1.241 -4.520 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.829 5.232 -4.136 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.663 4.332 -5.648 1.00 0.00 H new ATOM 841 N GLU A 55 -12.285 -0.434 -5.826 1.00 0.00 N ATOM 842 CA GLU A 55 -12.197 -1.882 -5.907 1.00 0.00 C ATOM 843 C GLU A 55 -10.951 -2.295 -6.694 1.00 0.00 C ATOM 844 O GLU A 55 -10.525 -1.585 -7.604 1.00 0.00 O ATOM 845 CB GLU A 55 -13.462 -2.475 -6.531 1.00 0.00 C ATOM 846 CG GLU A 55 -13.695 -1.913 -7.935 1.00 0.00 C ATOM 847 CD GLU A 55 -15.052 -2.357 -8.484 1.00 0.00 C ATOM 848 OE1 GLU A 55 -16.034 -2.261 -7.716 1.00 0.00 O ATOM 849 OE2 GLU A 55 -15.077 -2.783 -9.659 1.00 0.00 O ATOM 0 H GLU A 55 -12.326 0.042 -6.727 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.112 -2.278 -4.895 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.374 -3.560 -6.580 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.322 -2.253 -5.899 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.648 -0.824 -7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.901 -2.249 -8.602 1.00 0.00 H new ATOM 856 N LEU A 56 -10.404 -3.440 -6.316 1.00 0.00 N ATOM 857 CA LEU A 56 -9.216 -3.956 -6.975 1.00 0.00 C ATOM 858 C LEU A 56 -9.484 -4.077 -8.477 1.00 0.00 C ATOM 859 O LEU A 56 -10.635 -4.048 -8.910 1.00 0.00 O ATOM 860 CB LEU A 56 -8.766 -5.265 -6.323 1.00 0.00 C ATOM 861 CG LEU A 56 -7.699 -6.059 -7.079 1.00 0.00 C ATOM 862 CD1 LEU A 56 -6.370 -5.302 -7.106 1.00 0.00 C ATOM 863 CD2 LEU A 56 -7.546 -7.465 -6.496 1.00 0.00 C ATOM 0 H LEU A 56 -10.761 -4.026 -5.561 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.382 -3.264 -6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.385 -5.039 -5.327 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.641 -5.902 -6.193 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.026 -6.173 -8.113 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.629 -5.888 -7.649 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.508 -4.342 -7.603 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.025 -5.136 -6.085 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.781 -8.008 -7.052 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.252 -7.395 -5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.495 -7.996 -6.572 1.00 0.00 H new ATOM 875 N SER A 57 -8.402 -4.211 -9.230 1.00 0.00 N ATOM 876 CA SER A 57 -8.505 -4.337 -10.673 1.00 0.00 C ATOM 877 C SER A 57 -7.139 -4.685 -11.268 1.00 0.00 C ATOM 878 O SER A 57 -6.159 -4.829 -10.538 1.00 0.00 O ATOM 879 CB SER A 57 -9.046 -3.051 -11.301 1.00 0.00 C ATOM 880 OG SER A 57 -10.459 -3.094 -11.475 1.00 0.00 O ATOM 0 H SER A 57 -7.449 -4.235 -8.867 1.00 0.00 H new ATOM 0 HA SER A 57 -9.206 -5.141 -10.896 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.784 -2.202 -10.670 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.567 -2.890 -12.267 1.00 0.00 H new ATOM 0 HG SER A 57 -10.881 -3.413 -10.650 1.00 0.00 H new ATOM 886 N ASP A 58 -7.117 -4.809 -12.587 1.00 0.00 N ATOM 887 CA ASP A 58 -5.888 -5.137 -13.287 1.00 0.00 C ATOM 888 C ASP A 58 -5.014 -3.885 -13.389 1.00 0.00 C ATOM 889 O ASP A 58 -3.802 -3.983 -13.576 1.00 0.00 O ATOM 890 CB ASP A 58 -6.177 -5.629 -14.707 1.00 0.00 C ATOM 891 CG ASP A 58 -6.224 -4.533 -15.774 1.00 0.00 C ATOM 892 OD1 ASP A 58 -7.234 -3.796 -15.786 1.00 0.00 O ATOM 893 OD2 ASP A 58 -5.249 -4.456 -16.552 1.00 0.00 O ATOM 0 H ASP A 58 -7.931 -4.688 -13.189 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.382 -5.925 -12.729 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.413 -6.355 -14.986 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.132 -6.155 -14.706 1.00 0.00 H new ATOM 898 N SER A 59 -5.664 -2.738 -13.261 1.00 0.00 N ATOM 899 CA SER A 59 -4.962 -1.468 -13.336 1.00 0.00 C ATOM 900 C SER A 59 -4.203 -1.211 -12.032 1.00 0.00 C ATOM 901 O SER A 59 -3.221 -0.470 -12.017 1.00 0.00 O ATOM 902 CB SER A 59 -5.930 -0.318 -13.621 1.00 0.00 C ATOM 903 OG SER A 59 -5.632 0.339 -14.850 1.00 0.00 O ATOM 0 H SER A 59 -6.669 -2.661 -13.106 1.00 0.00 H new ATOM 0 HA SER A 59 -4.250 -1.520 -14.160 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.950 -0.702 -13.653 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.887 0.403 -12.805 1.00 0.00 H new ATOM 0 HG SER A 59 -6.273 1.065 -14.996 1.00 0.00 H new ATOM 909 N VAL A 60 -4.687 -1.839 -10.970 1.00 0.00 N ATOM 910 CA VAL A 60 -4.067 -1.688 -9.665 1.00 0.00 C ATOM 911 C VAL A 60 -2.609 -2.145 -9.742 1.00 0.00 C ATOM 912 O VAL A 60 -2.335 -3.336 -9.887 1.00 0.00 O ATOM 913 CB VAL A 60 -4.876 -2.445 -8.610 1.00 0.00 C ATOM 914 CG1 VAL A 60 -4.136 -2.479 -7.272 1.00 0.00 C ATOM 915 CG2 VAL A 60 -6.271 -1.838 -8.450 1.00 0.00 C ATOM 0 H VAL A 60 -5.501 -2.453 -10.987 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.064 -0.641 -9.363 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.995 -3.473 -8.953 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.733 -3.023 -6.540 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.175 -2.978 -7.400 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.972 -1.460 -6.921 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.825 -2.394 -7.694 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.181 -0.797 -8.141 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.802 -1.890 -9.401 1.00 0.00 H new ATOM 925 N THR A 61 -1.711 -1.176 -9.641 1.00 0.00 N ATOM 926 CA THR A 61 -0.289 -1.464 -9.697 1.00 0.00 C ATOM 927 C THR A 61 0.339 -1.327 -8.308 1.00 0.00 C ATOM 928 O THR A 61 1.442 -1.817 -8.070 1.00 0.00 O ATOM 929 CB THR A 61 0.340 -0.540 -10.741 1.00 0.00 C ATOM 930 OG1 THR A 61 0.079 0.771 -10.247 1.00 0.00 O ATOM 931 CG2 THR A 61 -0.394 -0.586 -12.082 1.00 0.00 C ATOM 0 H THR A 61 -1.942 -0.190 -9.521 1.00 0.00 H new ATOM 0 HA THR A 61 -0.107 -2.495 -10.001 1.00 0.00 H new ATOM 0 HB THR A 61 1.384 -0.818 -10.889 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.257 0.799 -9.284 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.093 0.088 -12.787 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.370 -1.602 -12.475 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.430 -0.276 -11.941 1.00 0.00 H new ATOM 939 N HIS A 62 -0.392 -0.659 -7.427 1.00 0.00 N ATOM 940 CA HIS A 62 0.079 -0.452 -6.068 1.00 0.00 C ATOM 941 C HIS A 62 -1.100 -0.540 -5.097 1.00 0.00 C ATOM 942 O HIS A 62 -2.122 0.115 -5.296 1.00 0.00 O ATOM 943 CB HIS A 62 0.844 0.869 -5.954 1.00 0.00 C ATOM 944 CG HIS A 62 1.676 1.204 -7.169 1.00 0.00 C ATOM 945 ND1 HIS A 62 1.200 1.978 -8.213 1.00 0.00 N ATOM 946 CD2 HIS A 62 2.956 0.863 -7.494 1.00 0.00 C ATOM 947 CE1 HIS A 62 2.159 2.090 -9.120 1.00 0.00 C ATOM 948 NE2 HIS A 62 3.246 1.399 -8.673 1.00 0.00 N ATOM 0 H HIS A 62 -1.307 -0.254 -7.628 1.00 0.00 H new ATOM 0 HA HIS A 62 0.785 -1.238 -5.800 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.132 1.676 -5.781 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.495 0.826 -5.081 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.621 0.259 -6.894 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.092 2.634 -10.051 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.136 1.309 -9.164 1.00 0.00 H new ATOM 956 N ILE A 63 -0.919 -1.355 -4.069 1.00 0.00 N ATOM 957 CA ILE A 63 -1.955 -1.538 -3.067 1.00 0.00 C ATOM 958 C ILE A 63 -1.466 -0.983 -1.727 1.00 0.00 C ATOM 959 O ILE A 63 -0.426 -1.401 -1.220 1.00 0.00 O ATOM 960 CB ILE A 63 -2.387 -3.004 -3.004 1.00 0.00 C ATOM 961 CG1 ILE A 63 -3.172 -3.398 -4.257 1.00 0.00 C ATOM 962 CG2 ILE A 63 -3.173 -3.290 -1.722 1.00 0.00 C ATOM 963 CD1 ILE A 63 -3.430 -4.906 -4.291 1.00 0.00 C ATOM 0 H ILE A 63 -0.070 -1.897 -3.908 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.850 -0.978 -3.338 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.491 -3.623 -2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.121 -2.863 -4.279 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.617 -3.100 -5.147 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.468 -4.339 -1.703 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.548 -3.073 -0.856 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.064 -2.662 -1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.989 -5.159 -5.192 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.479 -5.438 -4.293 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.006 -5.196 -3.412 1.00 0.00 H new ATOM 975 N VAL A 64 -2.239 -0.050 -1.192 1.00 0.00 N ATOM 976 CA VAL A 64 -1.898 0.567 0.079 1.00 0.00 C ATOM 977 C VAL A 64 -2.614 -0.176 1.209 1.00 0.00 C ATOM 978 O VAL A 64 -3.768 -0.574 1.062 1.00 0.00 O ATOM 979 CB VAL A 64 -2.229 2.060 0.042 1.00 0.00 C ATOM 980 CG1 VAL A 64 -1.646 2.781 1.259 1.00 0.00 C ATOM 981 CG2 VAL A 64 -1.738 2.698 -1.260 1.00 0.00 C ATOM 0 H VAL A 64 -3.101 0.294 -1.615 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.827 0.490 0.266 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.313 2.164 0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.896 3.841 1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.064 2.353 2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.562 2.664 1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.986 3.759 -1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.658 2.577 -1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.221 2.212 -2.108 1.00 0.00 H new ATOM 991 N ALA A 65 -1.898 -0.340 2.312 1.00 0.00 N ATOM 992 CA ALA A 65 -2.450 -1.028 3.467 1.00 0.00 C ATOM 993 C ALA A 65 -1.730 -0.553 4.730 1.00 0.00 C ATOM 994 O ALA A 65 -0.502 -0.486 4.762 1.00 0.00 O ATOM 995 CB ALA A 65 -2.334 -2.540 3.264 1.00 0.00 C ATOM 0 H ALA A 65 -0.941 -0.008 2.430 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.508 -0.795 3.583 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.748 -3.056 4.130 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.886 -2.831 2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.285 -2.812 3.147 1.00 0.00 H new ATOM 1001 N GLU A 66 -2.525 -0.234 5.741 1.00 0.00 N ATOM 1002 CA GLU A 66 -1.979 0.233 7.004 1.00 0.00 C ATOM 1003 C GLU A 66 -2.136 -0.843 8.081 1.00 0.00 C ATOM 1004 O GLU A 66 -3.204 -1.438 8.217 1.00 0.00 O ATOM 1005 CB GLU A 66 -2.641 1.543 7.436 1.00 0.00 C ATOM 1006 CG GLU A 66 -1.977 2.103 8.696 1.00 0.00 C ATOM 1007 CD GLU A 66 -2.902 3.090 9.410 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -3.756 2.609 10.186 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -2.735 4.304 9.165 1.00 0.00 O ATOM 0 H GLU A 66 -3.543 -0.290 5.711 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.916 0.429 6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.572 2.273 6.629 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.701 1.374 7.624 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.721 1.286 9.370 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.044 2.600 8.430 1.00 0.00 H new ATOM 1016 N ASN A 67 -1.057 -1.058 8.819 1.00 0.00 N ATOM 1017 CA ASN A 67 -1.062 -2.052 9.879 1.00 0.00 C ATOM 1018 C ASN A 67 -1.118 -3.450 9.262 1.00 0.00 C ATOM 1019 O ASN A 67 -1.299 -4.439 9.971 1.00 0.00 O ATOM 1020 CB ASN A 67 -2.284 -1.885 10.784 1.00 0.00 C ATOM 1021 CG ASN A 67 -2.435 -0.432 11.240 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -1.476 0.315 11.347 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -3.689 -0.075 11.502 1.00 0.00 N ATOM 0 H ASN A 67 -0.174 -0.561 8.704 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.155 -1.920 10.469 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.182 -2.197 10.250 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.188 -2.535 11.654 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.895 0.874 11.813 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.445 -0.751 11.392 1.00 0.00 H new ATOM 1030 N ASN A 68 -0.959 -3.489 7.947 1.00 0.00 N ATOM 1031 CA ASN A 68 -0.989 -4.750 7.226 1.00 0.00 C ATOM 1032 C ASN A 68 0.426 -5.103 6.765 1.00 0.00 C ATOM 1033 O ASN A 68 1.250 -4.217 6.543 1.00 0.00 O ATOM 1034 CB ASN A 68 -1.880 -4.654 5.986 1.00 0.00 C ATOM 1035 CG ASN A 68 -3.084 -3.746 6.244 1.00 0.00 C ATOM 1036 OD1 ASN A 68 -3.131 -2.600 5.827 1.00 0.00 O ATOM 1037 ND2 ASN A 68 -4.052 -4.319 6.953 1.00 0.00 N ATOM 0 H ASN A 68 -0.809 -2.667 7.362 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.385 -5.513 7.897 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -1.301 -4.267 5.147 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.224 -5.649 5.703 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.898 -3.795 7.178 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.949 -5.283 7.271 1.00 0.00 H new ATOM 1044 N SER A 69 0.665 -6.400 6.634 1.00 0.00 N ATOM 1045 CA SER A 69 1.967 -6.881 6.204 1.00 0.00 C ATOM 1046 C SER A 69 1.888 -7.385 4.762 1.00 0.00 C ATOM 1047 O SER A 69 0.872 -7.944 4.351 1.00 0.00 O ATOM 1048 CB SER A 69 2.477 -7.989 7.127 1.00 0.00 C ATOM 1049 OG SER A 69 2.263 -7.680 8.501 1.00 0.00 O ATOM 0 H SER A 69 -0.021 -7.132 6.818 1.00 0.00 H new ATOM 0 HA SER A 69 2.672 -6.051 6.254 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.973 -8.924 6.883 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.541 -8.145 6.952 1.00 0.00 H new ATOM 0 HG SER A 69 2.601 -8.413 9.057 1.00 0.00 H new ATOM 1055 N GLY A 70 2.973 -7.170 4.033 1.00 0.00 N ATOM 1056 CA GLY A 70 3.039 -7.596 2.645 1.00 0.00 C ATOM 1057 C GLY A 70 2.415 -8.982 2.467 1.00 0.00 C ATOM 1058 O GLY A 70 1.813 -9.267 1.433 1.00 0.00 O ATOM 0 H GLY A 70 3.814 -6.706 4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.519 -6.875 2.014 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.078 -7.616 2.316 1.00 0.00 H new ATOM 1062 N SER A 71 2.582 -9.807 3.490 1.00 0.00 N ATOM 1063 CA SER A 71 2.043 -11.155 3.459 1.00 0.00 C ATOM 1064 C SER A 71 0.516 -11.112 3.554 1.00 0.00 C ATOM 1065 O SER A 71 -0.175 -11.810 2.813 1.00 0.00 O ATOM 1066 CB SER A 71 2.620 -12.005 4.593 1.00 0.00 C ATOM 1067 OG SER A 71 2.355 -11.439 5.873 1.00 0.00 O ATOM 0 H SER A 71 3.083 -9.567 4.346 1.00 0.00 H new ATOM 0 HA SER A 71 2.329 -11.615 2.513 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.196 -13.008 4.546 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.697 -12.107 4.458 1.00 0.00 H new ATOM 0 HG SER A 71 2.738 -12.012 6.570 1.00 0.00 H new ATOM 1073 N ASP A 72 0.036 -10.284 4.470 1.00 0.00 N ATOM 1074 CA ASP A 72 -1.396 -10.140 4.671 1.00 0.00 C ATOM 1075 C ASP A 72 -2.051 -9.718 3.354 1.00 0.00 C ATOM 1076 O ASP A 72 -3.012 -10.343 2.906 1.00 0.00 O ATOM 1077 CB ASP A 72 -1.701 -9.066 5.716 1.00 0.00 C ATOM 1078 CG ASP A 72 -1.636 -9.540 7.169 1.00 0.00 C ATOM 1079 OD1 ASP A 72 -1.496 -10.768 7.359 1.00 0.00 O ATOM 1080 OD2 ASP A 72 -1.727 -8.665 8.057 1.00 0.00 O ATOM 0 H ASP A 72 0.613 -9.706 5.081 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.786 -11.098 5.015 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.997 -8.244 5.586 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.697 -8.666 5.524 1.00 0.00 H new ATOM 1085 N VAL A 73 -1.506 -8.661 2.771 1.00 0.00 N ATOM 1086 CA VAL A 73 -2.025 -8.148 1.515 1.00 0.00 C ATOM 1087 C VAL A 73 -1.951 -9.245 0.451 1.00 0.00 C ATOM 1088 O VAL A 73 -2.896 -9.440 -0.312 1.00 0.00 O ATOM 1089 CB VAL A 73 -1.271 -6.878 1.116 1.00 0.00 C ATOM 1090 CG1 VAL A 73 -1.862 -6.264 -0.154 1.00 0.00 C ATOM 1091 CG2 VAL A 73 -1.261 -5.864 2.262 1.00 0.00 C ATOM 0 H VAL A 73 -0.710 -8.145 3.146 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.073 -7.868 1.622 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.238 -7.155 0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.307 -5.363 -0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.793 -6.982 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.908 -6.009 0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.719 -4.970 1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.286 -5.596 2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.771 -6.302 3.132 1.00 0.00 H new ATOM 1101 N LEU A 74 -0.819 -9.934 0.435 1.00 0.00 N ATOM 1102 CA LEU A 74 -0.610 -11.007 -0.523 1.00 0.00 C ATOM 1103 C LEU A 74 -1.747 -12.024 -0.399 1.00 0.00 C ATOM 1104 O LEU A 74 -2.518 -12.214 -1.338 1.00 0.00 O ATOM 1105 CB LEU A 74 0.782 -11.617 -0.348 1.00 0.00 C ATOM 1106 CG LEU A 74 1.887 -11.030 -1.229 1.00 0.00 C ATOM 1107 CD1 LEU A 74 3.262 -11.544 -0.799 1.00 0.00 C ATOM 1108 CD2 LEU A 74 1.610 -11.302 -2.709 1.00 0.00 C ATOM 0 H LEU A 74 -0.037 -9.770 1.070 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.638 -10.620 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.078 -11.504 0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.716 -12.687 -0.547 1.00 0.00 H new ATOM 0 HG LEU A 74 1.892 -9.948 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.029 -11.112 -1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.451 -11.257 0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.287 -12.630 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.410 -10.875 -3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.562 -12.378 -2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.660 -10.848 -2.991 1.00 0.00 H new ATOM 1120 N GLU A 75 -1.814 -12.649 0.767 1.00 0.00 N ATOM 1121 CA GLU A 75 -2.844 -13.642 1.025 1.00 0.00 C ATOM 1122 C GLU A 75 -4.209 -13.120 0.573 1.00 0.00 C ATOM 1123 O GLU A 75 -5.007 -13.867 0.008 1.00 0.00 O ATOM 1124 CB GLU A 75 -2.869 -14.034 2.504 1.00 0.00 C ATOM 1125 CG GLU A 75 -1.529 -14.633 2.935 1.00 0.00 C ATOM 1126 CD GLU A 75 -1.727 -15.994 3.606 1.00 0.00 C ATOM 1127 OE1 GLU A 75 -1.715 -17.000 2.865 1.00 0.00 O ATOM 1128 OE2 GLU A 75 -1.887 -15.996 4.846 1.00 0.00 O ATOM 0 H GLU A 75 -1.173 -12.488 1.543 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.611 -14.538 0.449 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.092 -13.158 3.112 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.667 -14.755 2.679 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.880 -14.743 2.067 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.028 -13.953 3.624 1.00 0.00 H new ATOM 1135 N TRP A 76 -4.436 -11.842 0.838 1.00 0.00 N ATOM 1136 CA TRP A 76 -5.691 -11.212 0.465 1.00 0.00 C ATOM 1137 C TRP A 76 -5.745 -11.132 -1.062 1.00 0.00 C ATOM 1138 O TRP A 76 -6.789 -11.379 -1.663 1.00 0.00 O ATOM 1139 CB TRP A 76 -5.842 -9.848 1.141 1.00 0.00 C ATOM 1140 CG TRP A 76 -7.000 -9.009 0.598 1.00 0.00 C ATOM 1141 CD1 TRP A 76 -8.240 -8.896 1.093 1.00 0.00 C ATOM 1142 CD2 TRP A 76 -6.976 -8.164 -0.572 1.00 0.00 C ATOM 1143 NE1 TRP A 76 -9.014 -8.045 0.331 1.00 0.00 N ATOM 1144 CE2 TRP A 76 -8.221 -7.585 -0.714 1.00 0.00 C ATOM 1145 CE3 TRP A 76 -5.936 -7.898 -1.481 1.00 0.00 C ATOM 1146 CZ2 TRP A 76 -8.542 -6.704 -1.753 1.00 0.00 C ATOM 1147 CZ3 TRP A 76 -6.274 -7.015 -2.513 1.00 0.00 C ATOM 1148 CH2 TRP A 76 -7.522 -6.424 -2.670 1.00 0.00 C ATOM 0 H TRP A 76 -3.772 -11.226 1.307 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.538 -11.804 0.812 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -5.986 -9.998 2.211 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.914 -9.289 1.020 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -8.590 -9.407 1.978 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -9.989 -7.799 0.503 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.955 -8.340 -1.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -9.524 -6.264 -1.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.511 -6.776 -3.239 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.704 -5.752 -3.496 1.00 0.00 H new ATOM 1159 N LEU A 77 -4.607 -10.787 -1.645 1.00 0.00 N ATOM 1160 CA LEU A 77 -4.511 -10.672 -3.090 1.00 0.00 C ATOM 1161 C LEU A 77 -5.038 -11.955 -3.736 1.00 0.00 C ATOM 1162 O LEU A 77 -5.904 -11.905 -4.608 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.082 -10.315 -3.506 1.00 0.00 C ATOM 1164 CG LEU A 77 -2.947 -9.262 -4.608 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.090 -9.376 -5.618 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -2.846 -7.856 -4.013 1.00 0.00 C ATOM 0 H LEU A 77 -3.743 -10.583 -1.143 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.136 -9.854 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.546 -9.961 -2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.583 -11.226 -3.838 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.020 -9.450 -5.149 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.970 -8.616 -6.390 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.074 -10.365 -6.076 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.042 -9.228 -5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.751 -7.127 -4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.743 -7.641 -3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.972 -7.797 -3.365 1.00 0.00 H new ATOM 1178 N GLN A 78 -4.492 -13.074 -3.283 1.00 0.00 N ATOM 1179 CA GLN A 78 -4.896 -14.368 -3.805 1.00 0.00 C ATOM 1180 C GLN A 78 -6.376 -14.621 -3.512 1.00 0.00 C ATOM 1181 O GLN A 78 -7.055 -15.308 -4.274 1.00 0.00 O ATOM 1182 CB GLN A 78 -4.025 -15.488 -3.231 1.00 0.00 C ATOM 1183 CG GLN A 78 -2.577 -15.355 -3.709 1.00 0.00 C ATOM 1184 CD GLN A 78 -2.006 -16.716 -4.113 1.00 0.00 C ATOM 1185 OE1 GLN A 78 -2.654 -17.745 -4.010 1.00 0.00 O ATOM 1186 NE2 GLN A 78 -0.761 -16.664 -4.577 1.00 0.00 N ATOM 0 H GLN A 78 -3.773 -13.111 -2.560 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.756 -14.361 -4.886 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.057 -15.457 -2.142 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.424 -16.456 -3.534 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.531 -14.671 -4.557 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.967 -14.921 -2.917 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.276 -15.769 -4.637 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.291 -17.519 -4.873 1.00 0.00 H new ATOM 1195 N ALA A 79 -6.833 -14.051 -2.407 1.00 0.00 N ATOM 1196 CA ALA A 79 -8.221 -14.206 -2.004 1.00 0.00 C ATOM 1197 C ALA A 79 -9.124 -13.501 -3.018 1.00 0.00 C ATOM 1198 O ALA A 79 -10.231 -13.960 -3.293 1.00 0.00 O ATOM 1199 CB ALA A 79 -8.404 -13.664 -0.585 1.00 0.00 C ATOM 0 H ALA A 79 -6.267 -13.481 -1.778 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.501 -15.259 -1.990 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.445 -13.780 -0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.763 -14.217 0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.135 -12.608 -0.561 1.00 0.00 H new ATOM 1205 N GLN A 80 -8.617 -12.396 -3.546 1.00 0.00 N ATOM 1206 CA GLN A 80 -9.363 -11.623 -4.524 1.00 0.00 C ATOM 1207 C GLN A 80 -9.717 -12.494 -5.731 1.00 0.00 C ATOM 1208 O GLN A 80 -8.926 -13.341 -6.143 1.00 0.00 O ATOM 1209 CB GLN A 80 -8.581 -10.381 -4.954 1.00 0.00 C ATOM 1210 CG GLN A 80 -8.264 -9.489 -3.752 1.00 0.00 C ATOM 1211 CD GLN A 80 -9.500 -9.295 -2.872 1.00 0.00 C ATOM 1212 OE1 GLN A 80 -10.392 -8.519 -3.173 1.00 0.00 O ATOM 1213 NE2 GLN A 80 -9.503 -10.041 -1.771 1.00 0.00 N ATOM 0 H GLN A 80 -7.698 -12.018 -3.315 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.290 -11.285 -4.060 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.654 -10.682 -5.443 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.160 -9.818 -5.686 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.462 -9.936 -3.165 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.904 -8.520 -4.098 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.724 -10.671 -1.579 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.285 -9.984 -1.118 1.00 0.00 H new ATOM 1222 N LYS A 81 -10.906 -12.256 -6.265 1.00 0.00 N ATOM 1223 CA LYS A 81 -11.374 -13.008 -7.417 1.00 0.00 C ATOM 1224 C LYS A 81 -11.049 -12.231 -8.694 1.00 0.00 C ATOM 1225 O LYS A 81 -11.372 -12.675 -9.795 1.00 0.00 O ATOM 1226 CB LYS A 81 -12.857 -13.350 -7.266 1.00 0.00 C ATOM 1227 CG LYS A 81 -13.397 -14.020 -8.532 1.00 0.00 C ATOM 1228 CD LYS A 81 -14.435 -15.089 -8.187 1.00 0.00 C ATOM 1229 CE LYS A 81 -15.843 -14.632 -8.573 1.00 0.00 C ATOM 1230 NZ LYS A 81 -16.822 -15.718 -8.345 1.00 0.00 N ATOM 0 H LYS A 81 -11.560 -11.553 -5.921 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.855 -13.964 -7.485 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.996 -14.013 -6.412 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.424 -12.442 -7.060 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.846 -13.269 -9.182 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.575 -14.472 -9.087 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.194 -16.016 -8.708 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.399 -15.305 -7.119 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.120 -13.756 -7.987 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.860 -14.333 -9.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.772 -15.391 -8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.565 -16.544 -8.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.818 -15.984 -7.340 1.00 0.00 H new ATOM 1244 N VAL A 82 -10.413 -11.083 -8.505 1.00 0.00 N ATOM 1245 CA VAL A 82 -10.041 -10.241 -9.628 1.00 0.00 C ATOM 1246 C VAL A 82 -8.668 -10.670 -10.149 1.00 0.00 C ATOM 1247 O VAL A 82 -7.681 -10.630 -9.416 1.00 0.00 O ATOM 1248 CB VAL A 82 -10.090 -8.768 -9.217 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -9.610 -7.864 -10.354 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -11.496 -8.373 -8.759 1.00 0.00 C ATOM 0 H VAL A 82 -10.146 -10.717 -7.591 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.751 -10.360 -10.446 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.412 -8.633 -8.374 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.655 -6.823 -10.035 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.583 -8.120 -10.613 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.250 -8.004 -11.225 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.503 -7.321 -8.472 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.202 -8.532 -9.574 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.785 -8.984 -7.904 1.00 0.00 H new ATOM 1260 N GLN A 83 -8.648 -11.070 -11.412 1.00 0.00 N ATOM 1261 CA GLN A 83 -7.412 -11.506 -12.040 1.00 0.00 C ATOM 1262 C GLN A 83 -6.636 -10.302 -12.577 1.00 0.00 C ATOM 1263 O GLN A 83 -6.839 -9.886 -13.716 1.00 0.00 O ATOM 1264 CB GLN A 83 -7.690 -12.520 -13.152 1.00 0.00 C ATOM 1265 CG GLN A 83 -8.386 -13.765 -12.598 1.00 0.00 C ATOM 1266 CD GLN A 83 -9.062 -14.559 -13.718 1.00 0.00 C ATOM 1267 OE1 GLN A 83 -10.217 -14.348 -14.052 1.00 0.00 O ATOM 1268 NE2 GLN A 83 -8.282 -15.480 -14.276 1.00 0.00 N ATOM 0 H GLN A 83 -9.468 -11.101 -12.018 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.799 -12.001 -11.287 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.314 -12.062 -13.919 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -6.753 -12.805 -13.631 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.658 -14.396 -12.088 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -9.129 -13.471 -11.856 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -7.324 -15.604 -13.948 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -8.641 -16.062 -15.032 1.00 0.00 H new ATOM 1277 N VAL A 84 -5.763 -9.776 -11.730 1.00 0.00 N ATOM 1278 CA VAL A 84 -4.955 -8.628 -12.105 1.00 0.00 C ATOM 1279 C VAL A 84 -3.973 -9.038 -13.205 1.00 0.00 C ATOM 1280 O VAL A 84 -3.555 -10.193 -13.269 1.00 0.00 O ATOM 1281 CB VAL A 84 -4.262 -8.050 -10.870 1.00 0.00 C ATOM 1282 CG1 VAL A 84 -3.250 -9.043 -10.294 1.00 0.00 C ATOM 1283 CG2 VAL A 84 -3.594 -6.712 -11.192 1.00 0.00 C ATOM 0 H VAL A 84 -5.598 -10.124 -10.785 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.583 -7.835 -12.510 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.024 -7.870 -10.112 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.772 -8.607 -9.417 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.763 -9.961 -10.009 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.493 -9.269 -11.046 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.109 -6.323 -10.297 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.849 -6.856 -11.975 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.347 -6.002 -11.534 1.00 0.00 H new ATOM 1293 N SER A 85 -3.634 -8.070 -14.042 1.00 0.00 N ATOM 1294 CA SER A 85 -2.709 -8.315 -15.136 1.00 0.00 C ATOM 1295 C SER A 85 -1.320 -8.639 -14.583 1.00 0.00 C ATOM 1296 O SER A 85 -0.486 -9.209 -15.286 1.00 0.00 O ATOM 1297 CB SER A 85 -2.638 -7.112 -16.078 1.00 0.00 C ATOM 1298 OG SER A 85 -2.009 -5.990 -15.465 1.00 0.00 O ATOM 0 H SER A 85 -3.983 -7.113 -13.985 1.00 0.00 H new ATOM 0 HA SER A 85 -3.074 -9.168 -15.708 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.089 -7.388 -16.978 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.645 -6.837 -16.391 1.00 0.00 H new ATOM 0 HG SER A 85 -2.673 -5.483 -14.952 1.00 0.00 H new ATOM 1304 N SER A 86 -1.114 -8.262 -13.330 1.00 0.00 N ATOM 1305 CA SER A 86 0.161 -8.505 -12.675 1.00 0.00 C ATOM 1306 C SER A 86 0.069 -8.127 -11.195 1.00 0.00 C ATOM 1307 O SER A 86 -0.650 -7.198 -10.832 1.00 0.00 O ATOM 1308 CB SER A 86 1.287 -7.723 -13.354 1.00 0.00 C ATOM 1309 OG SER A 86 2.564 -8.308 -13.113 1.00 0.00 O ATOM 0 H SER A 86 -1.808 -7.790 -12.750 1.00 0.00 H new ATOM 0 HA SER A 86 0.392 -9.567 -12.759 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.104 -7.682 -14.428 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.285 -6.695 -12.991 1.00 0.00 H new ATOM 0 HG SER A 86 3.256 -7.781 -13.564 1.00 0.00 H new ATOM 1315 N GLN A 87 0.808 -8.867 -10.382 1.00 0.00 N ATOM 1316 CA GLN A 87 0.819 -8.621 -8.950 1.00 0.00 C ATOM 1317 C GLN A 87 1.187 -7.163 -8.664 1.00 0.00 C ATOM 1318 O GLN A 87 2.252 -6.698 -9.068 1.00 0.00 O ATOM 1319 CB GLN A 87 1.777 -9.578 -8.237 1.00 0.00 C ATOM 1320 CG GLN A 87 1.075 -10.296 -7.082 1.00 0.00 C ATOM 1321 CD GLN A 87 2.019 -11.287 -6.399 1.00 0.00 C ATOM 1322 OE1 GLN A 87 3.149 -10.976 -6.060 1.00 0.00 O ATOM 1323 NE2 GLN A 87 1.495 -12.495 -6.215 1.00 0.00 N ATOM 0 H GLN A 87 1.403 -9.637 -10.687 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.183 -8.805 -8.562 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.160 -10.311 -8.947 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.635 -9.024 -7.857 1.00 0.00 H new ATOM 0 HG2 GLN A 87 0.722 -9.565 -6.355 1.00 0.00 H new ATOM 0 HG3 GLN A 87 0.197 -10.823 -7.456 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.542 -12.690 -6.522 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.046 -13.227 -5.766 1.00 0.00 H new ATOM 1332 N PRO A 88 0.262 -6.466 -7.952 1.00 0.00 N ATOM 1333 CA PRO A 88 0.478 -5.071 -7.608 1.00 0.00 C ATOM 1334 C PRO A 88 1.500 -4.937 -6.477 1.00 0.00 C ATOM 1335 O PRO A 88 1.841 -5.922 -5.825 1.00 0.00 O ATOM 1336 CB PRO A 88 -0.896 -4.541 -7.233 1.00 0.00 C ATOM 1337 CG PRO A 88 -1.747 -5.764 -6.932 1.00 0.00 C ATOM 1338 CD PRO A 88 -1.010 -6.985 -7.458 1.00 0.00 C ATOM 0 HA PRO A 88 0.901 -4.495 -8.431 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.837 -3.883 -6.366 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.325 -3.958 -8.048 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.919 -5.855 -5.860 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.725 -5.675 -7.406 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.857 -7.724 -6.672 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.573 -7.476 -8.252 1.00 0.00 H new ATOM 1346 N GLU A 89 1.959 -3.710 -6.280 1.00 0.00 N ATOM 1347 CA GLU A 89 2.935 -3.435 -5.239 1.00 0.00 C ATOM 1348 C GLU A 89 2.236 -3.261 -3.889 1.00 0.00 C ATOM 1349 O GLU A 89 1.182 -2.633 -3.809 1.00 0.00 O ATOM 1350 CB GLU A 89 3.774 -2.203 -5.586 1.00 0.00 C ATOM 1351 CG GLU A 89 5.175 -2.606 -6.048 1.00 0.00 C ATOM 1352 CD GLU A 89 5.838 -3.544 -5.037 1.00 0.00 C ATOM 1353 OE1 GLU A 89 5.458 -3.457 -3.849 1.00 0.00 O ATOM 1354 OE2 GLU A 89 6.708 -4.326 -5.475 1.00 0.00 O ATOM 0 H GLU A 89 1.673 -2.895 -6.823 1.00 0.00 H new ATOM 0 HA GLU A 89 3.612 -4.286 -5.168 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.279 -1.631 -6.371 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.848 -1.552 -4.715 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.114 -3.097 -7.019 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.789 -1.715 -6.179 1.00 0.00 H new ATOM 1361 N LEU A 90 2.853 -3.827 -2.863 1.00 0.00 N ATOM 1362 CA LEU A 90 2.303 -3.743 -1.520 1.00 0.00 C ATOM 1363 C LEU A 90 3.111 -2.730 -0.706 1.00 0.00 C ATOM 1364 O LEU A 90 4.247 -3.003 -0.322 1.00 0.00 O ATOM 1365 CB LEU A 90 2.234 -5.131 -0.881 1.00 0.00 C ATOM 1366 CG LEU A 90 1.293 -6.133 -1.554 1.00 0.00 C ATOM 1367 CD1 LEU A 90 0.910 -5.667 -2.959 1.00 0.00 C ATOM 1368 CD2 LEU A 90 1.902 -7.536 -1.562 1.00 0.00 C ATOM 0 H LEU A 90 3.728 -4.346 -2.934 1.00 0.00 H new ATOM 0 HA LEU A 90 1.275 -3.381 -1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.238 -5.555 -0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.927 -5.016 0.158 1.00 0.00 H new ATOM 0 HG LEU A 90 0.374 -6.184 -0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.241 -6.397 -3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.407 -4.702 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.809 -5.569 -3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.213 -8.229 -2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.845 -7.520 -2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.082 -7.860 -0.537 1.00 0.00 H new ATOM 1380 N LEU A 91 2.493 -1.583 -0.467 1.00 0.00 N ATOM 1381 CA LEU A 91 3.141 -0.529 0.295 1.00 0.00 C ATOM 1382 C LEU A 91 2.245 -0.129 1.468 1.00 0.00 C ATOM 1383 O LEU A 91 1.048 -0.415 1.466 1.00 0.00 O ATOM 1384 CB LEU A 91 3.515 0.640 -0.619 1.00 0.00 C ATOM 1385 CG LEU A 91 3.910 0.272 -2.051 1.00 0.00 C ATOM 1386 CD1 LEU A 91 3.477 1.360 -3.036 1.00 0.00 C ATOM 1387 CD2 LEU A 91 5.407 -0.026 -2.148 1.00 0.00 C ATOM 0 H LEU A 91 1.551 -1.360 -0.787 1.00 0.00 H new ATOM 0 HA LEU A 91 4.080 -0.887 0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.670 1.327 -0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.343 1.182 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 91 3.382 -0.641 -2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.770 1.074 -4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.395 1.481 -2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.958 2.302 -2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.661 -0.285 -3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.974 0.854 -1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.655 -0.861 -1.492 1.00 0.00 H new ATOM 1399 N ASP A 92 2.857 0.527 2.443 1.00 0.00 N ATOM 1400 CA ASP A 92 2.130 0.969 3.620 1.00 0.00 C ATOM 1401 C ASP A 92 1.476 2.322 3.332 1.00 0.00 C ATOM 1402 O ASP A 92 1.829 2.992 2.363 1.00 0.00 O ATOM 1403 CB ASP A 92 3.069 1.143 4.815 1.00 0.00 C ATOM 1404 CG ASP A 92 2.374 1.266 6.172 1.00 0.00 C ATOM 1405 OD1 ASP A 92 1.382 0.531 6.370 1.00 0.00 O ATOM 1406 OD2 ASP A 92 2.849 2.092 6.981 1.00 0.00 O ATOM 0 H ASP A 92 3.849 0.763 2.441 1.00 0.00 H new ATOM 0 HA ASP A 92 1.381 0.213 3.857 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.751 0.293 4.849 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.677 2.033 4.653 1.00 0.00 H new ATOM 1411 N VAL A 93 0.535 2.683 4.192 1.00 0.00 N ATOM 1412 CA VAL A 93 -0.171 3.944 4.042 1.00 0.00 C ATOM 1413 C VAL A 93 0.835 5.096 4.081 1.00 0.00 C ATOM 1414 O VAL A 93 0.521 6.213 3.675 1.00 0.00 O ATOM 1415 CB VAL A 93 -1.259 4.065 5.111 1.00 0.00 C ATOM 1416 CG1 VAL A 93 -0.655 4.018 6.516 1.00 0.00 C ATOM 1417 CG2 VAL A 93 -2.085 5.337 4.912 1.00 0.00 C ATOM 0 H VAL A 93 0.245 2.124 4.995 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.675 3.986 3.077 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.928 3.211 5.005 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.450 4.106 7.257 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.132 3.072 6.656 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.047 4.843 6.638 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.851 5.398 5.685 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.433 6.208 4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.560 5.312 3.931 1.00 0.00 H new ATOM 1427 N SER A 94 2.025 4.783 4.574 1.00 0.00 N ATOM 1428 CA SER A 94 3.080 5.778 4.671 1.00 0.00 C ATOM 1429 C SER A 94 3.472 6.262 3.274 1.00 0.00 C ATOM 1430 O SER A 94 3.469 7.463 3.006 1.00 0.00 O ATOM 1431 CB SER A 94 4.301 5.215 5.400 1.00 0.00 C ATOM 1432 OG SER A 94 5.523 5.652 4.810 1.00 0.00 O ATOM 0 H SER A 94 2.282 3.855 4.910 1.00 0.00 H new ATOM 0 HA SER A 94 2.703 6.622 5.248 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.273 5.522 6.445 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.261 4.126 5.387 1.00 0.00 H new ATOM 0 HG SER A 94 6.279 5.273 5.305 1.00 0.00 H new ATOM 1438 N TRP A 95 3.800 5.304 2.420 1.00 0.00 N ATOM 1439 CA TRP A 95 4.194 5.618 1.057 1.00 0.00 C ATOM 1440 C TRP A 95 3.222 6.667 0.514 1.00 0.00 C ATOM 1441 O TRP A 95 3.643 7.714 0.024 1.00 0.00 O ATOM 1442 CB TRP A 95 4.251 4.354 0.197 1.00 0.00 C ATOM 1443 CG TRP A 95 4.694 4.602 -1.246 1.00 0.00 C ATOM 1444 CD1 TRP A 95 5.901 4.985 -1.684 1.00 0.00 C ATOM 1445 CD2 TRP A 95 3.880 4.468 -2.430 1.00 0.00 C ATOM 1446 NE1 TRP A 95 5.924 5.108 -3.059 1.00 0.00 N ATOM 1447 CE2 TRP A 95 4.656 4.783 -3.527 1.00 0.00 C ATOM 1448 CE3 TRP A 95 2.532 4.093 -2.570 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 4.174 4.755 -4.841 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 2.066 4.070 -3.890 1.00 0.00 C ATOM 1451 CH2 TRP A 95 2.834 4.384 -5.005 1.00 0.00 C ATOM 0 H TRP A 95 3.801 4.309 2.646 1.00 0.00 H new ATOM 0 HA TRP A 95 5.202 6.032 1.033 1.00 0.00 H new ATOM 0 HB2 TRP A 95 4.936 3.643 0.659 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.266 3.888 0.189 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.749 5.174 -1.042 1.00 0.00 H new ATOM 0 HE1 TRP A 95 6.724 5.386 -3.627 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.906 3.843 -1.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.802 5.006 -5.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.036 3.788 -4.053 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.399 4.342 -5.993 1.00 0.00 H new ATOM 1462 N LEU A 96 1.940 6.350 0.619 1.00 0.00 N ATOM 1463 CA LEU A 96 0.904 7.252 0.144 1.00 0.00 C ATOM 1464 C LEU A 96 1.124 8.639 0.753 1.00 0.00 C ATOM 1465 O LEU A 96 1.318 9.614 0.029 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.483 6.670 0.424 1.00 0.00 C ATOM 1467 CG LEU A 96 -1.628 7.231 -0.421 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -1.217 7.356 -1.889 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -2.897 6.393 -0.250 1.00 0.00 C ATOM 0 H LEU A 96 1.595 5.481 1.026 1.00 0.00 H new ATOM 0 HA LEU A 96 0.964 7.365 -0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.440 5.591 0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.719 6.835 1.475 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.855 8.236 -0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.050 7.757 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.362 8.026 -1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.947 6.374 -2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.696 6.813 -0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.701 5.368 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.200 6.400 0.797 1.00 0.00 H new ATOM 1481 N ILE A 97 1.085 8.682 2.077 1.00 0.00 N ATOM 1482 CA ILE A 97 1.278 9.933 2.790 1.00 0.00 C ATOM 1483 C ILE A 97 2.381 10.742 2.105 1.00 0.00 C ATOM 1484 O ILE A 97 2.193 11.917 1.797 1.00 0.00 O ATOM 1485 CB ILE A 97 1.541 9.668 4.274 1.00 0.00 C ATOM 1486 CG1 ILE A 97 0.254 9.262 4.995 1.00 0.00 C ATOM 1487 CG2 ILE A 97 2.212 10.873 4.936 1.00 0.00 C ATOM 1488 CD1 ILE A 97 0.558 8.699 6.385 1.00 0.00 C ATOM 0 H ILE A 97 0.923 7.871 2.674 1.00 0.00 H new ATOM 0 HA ILE A 97 0.371 10.536 2.753 1.00 0.00 H new ATOM 0 HB ILE A 97 2.233 8.830 4.353 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.405 10.126 5.085 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.278 8.516 4.405 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.388 10.658 5.990 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.163 11.076 4.444 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.564 11.745 4.847 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.374 8.418 6.876 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.197 7.821 6.290 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.068 9.456 6.981 1.00 0.00 H new ATOM 1500 N GLU A 98 3.508 10.079 1.887 1.00 0.00 N ATOM 1501 CA GLU A 98 4.641 10.722 1.244 1.00 0.00 C ATOM 1502 C GLU A 98 4.307 11.054 -0.212 1.00 0.00 C ATOM 1503 O GLU A 98 4.549 12.171 -0.668 1.00 0.00 O ATOM 1504 CB GLU A 98 5.892 9.845 1.333 1.00 0.00 C ATOM 1505 CG GLU A 98 6.478 9.868 2.747 1.00 0.00 C ATOM 1506 CD GLU A 98 7.788 10.657 2.784 1.00 0.00 C ATOM 1507 OE1 GLU A 98 7.703 11.902 2.707 1.00 0.00 O ATOM 1508 OE2 GLU A 98 8.845 9.998 2.889 1.00 0.00 O ATOM 0 H GLU A 98 3.660 9.104 2.144 1.00 0.00 H new ATOM 0 HA GLU A 98 4.852 11.653 1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.643 8.821 1.055 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.638 10.196 0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.760 10.315 3.435 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.654 8.848 3.088 1.00 0.00 H new ATOM 1515 N CYS A 99 3.757 10.065 -0.900 1.00 0.00 N ATOM 1516 CA CYS A 99 3.388 10.238 -2.295 1.00 0.00 C ATOM 1517 C CYS A 99 2.513 11.488 -2.408 1.00 0.00 C ATOM 1518 O CYS A 99 2.594 12.219 -3.394 1.00 0.00 O ATOM 1519 CB CYS A 99 2.686 8.998 -2.852 1.00 0.00 C ATOM 1520 SG CYS A 99 3.807 7.554 -2.768 1.00 0.00 S ATOM 0 H CYS A 99 3.558 9.141 -0.518 1.00 0.00 H new ATOM 0 HA CYS A 99 4.286 10.368 -2.899 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.778 8.798 -2.283 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.383 9.174 -3.884 1.00 0.00 H new ATOM 0 HG CYS A 99 3.114 6.460 -2.875 1.00 0.00 H new ATOM 1526 N ILE A 100 1.698 11.696 -1.385 1.00 0.00 N ATOM 1527 CA ILE A 100 0.809 12.845 -1.357 1.00 0.00 C ATOM 1528 C ILE A 100 1.637 14.121 -1.194 1.00 0.00 C ATOM 1529 O ILE A 100 1.740 14.921 -2.123 1.00 0.00 O ATOM 1530 CB ILE A 100 -0.264 12.667 -0.281 1.00 0.00 C ATOM 1531 CG1 ILE A 100 -1.157 11.464 -0.591 1.00 0.00 C ATOM 1532 CG2 ILE A 100 -1.075 13.951 -0.098 1.00 0.00 C ATOM 1533 CD1 ILE A 100 -2.124 11.186 0.562 1.00 0.00 C ATOM 0 H ILE A 100 1.634 11.088 -0.569 1.00 0.00 H new ATOM 0 HA ILE A 100 0.270 12.932 -2.300 1.00 0.00 H new ATOM 0 HB ILE A 100 0.233 12.463 0.667 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.720 11.651 -1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.539 10.585 -0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.831 13.797 0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.411 14.761 0.202 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.562 14.211 -1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.747 10.326 0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.558 10.976 1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.757 12.058 0.724 1.00 0.00 H new ATOM 1545 N GLY A 101 2.207 14.271 -0.007 1.00 0.00 N ATOM 1546 CA GLY A 101 3.023 15.436 0.289 1.00 0.00 C ATOM 1547 C GLY A 101 4.124 15.615 -0.758 1.00 0.00 C ATOM 1548 O GLY A 101 4.689 16.700 -0.890 1.00 0.00 O ATOM 0 H GLY A 101 2.120 13.605 0.761 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.395 16.326 0.317 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.470 15.330 1.277 1.00 0.00 H new ATOM 1552 N ALA A 102 4.394 14.535 -1.476 1.00 0.00 N ATOM 1553 CA ALA A 102 5.417 14.560 -2.508 1.00 0.00 C ATOM 1554 C ALA A 102 4.765 14.851 -3.861 1.00 0.00 C ATOM 1555 O ALA A 102 5.404 15.400 -4.757 1.00 0.00 O ATOM 1556 CB ALA A 102 6.180 13.233 -2.502 1.00 0.00 C ATOM 0 H ALA A 102 3.923 13.637 -1.364 1.00 0.00 H new ATOM 0 HA ALA A 102 6.139 15.353 -2.313 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.947 13.251 -3.276 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.649 13.087 -1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.487 12.414 -2.697 1.00 0.00 H new ATOM 1562 N GLY A 103 3.500 14.471 -3.966 1.00 0.00 N ATOM 1563 CA GLY A 103 2.754 14.684 -5.194 1.00 0.00 C ATOM 1564 C GLY A 103 3.261 13.768 -6.310 1.00 0.00 C ATOM 1565 O GLY A 103 2.832 13.885 -7.457 1.00 0.00 O ATOM 0 H GLY A 103 2.973 14.017 -3.220 1.00 0.00 H new ATOM 0 HA2 GLY A 103 1.695 14.496 -5.017 1.00 0.00 H new ATOM 0 HA3 GLY A 103 2.846 15.725 -5.503 1.00 0.00 H new ATOM 1569 N LYS A 104 4.167 12.877 -5.935 1.00 0.00 N ATOM 1570 CA LYS A 104 4.737 11.942 -6.889 1.00 0.00 C ATOM 1571 C LYS A 104 4.962 10.593 -6.203 1.00 0.00 C ATOM 1572 O LYS A 104 4.962 10.509 -4.976 1.00 0.00 O ATOM 1573 CB LYS A 104 6.000 12.527 -7.524 1.00 0.00 C ATOM 1574 CG LYS A 104 7.239 12.191 -6.692 1.00 0.00 C ATOM 1575 CD LYS A 104 8.517 12.636 -7.406 1.00 0.00 C ATOM 1576 CE LYS A 104 9.671 12.796 -6.415 1.00 0.00 C ATOM 1577 NZ LYS A 104 10.777 11.872 -6.754 1.00 0.00 N ATOM 0 H LYS A 104 4.520 12.783 -4.983 1.00 0.00 H new ATOM 0 HA LYS A 104 4.044 11.770 -7.713 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.119 12.135 -8.534 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.899 13.609 -7.612 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.172 12.680 -5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.277 11.118 -6.507 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.786 11.904 -8.168 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.341 13.581 -7.920 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.031 13.825 -6.430 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.319 12.596 -5.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.552 11.993 -6.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.434 10.891 -6.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.123 12.082 -7.712 1.00 0.00 H new ATOM 1591 N PRO A 105 5.155 9.544 -7.046 1.00 0.00 N ATOM 1592 CA PRO A 105 5.381 8.203 -6.534 1.00 0.00 C ATOM 1593 C PRO A 105 6.799 8.061 -5.978 1.00 0.00 C ATOM 1594 O PRO A 105 7.691 7.563 -6.663 1.00 0.00 O ATOM 1595 CB PRO A 105 5.109 7.281 -7.711 1.00 0.00 C ATOM 1596 CG PRO A 105 5.195 8.154 -8.953 1.00 0.00 C ATOM 1597 CD PRO A 105 5.162 9.606 -8.505 1.00 0.00 C ATOM 0 HA PRO A 105 4.730 7.958 -5.695 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.839 6.472 -7.751 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.126 6.819 -7.626 1.00 0.00 H new ATOM 0 HG2 PRO A 105 6.112 7.945 -9.504 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.364 7.943 -9.626 1.00 0.00 H new ATOM 0 HD2 PRO A 105 6.029 10.154 -8.874 1.00 0.00 H new ATOM 0 HD3 PRO A 105 4.277 10.117 -8.884 1.00 0.00 H new ATOM 1605 N VAL A 106 6.963 8.507 -4.741 1.00 0.00 N ATOM 1606 CA VAL A 106 8.258 8.436 -4.085 1.00 0.00 C ATOM 1607 C VAL A 106 8.867 7.052 -4.318 1.00 0.00 C ATOM 1608 O VAL A 106 8.144 6.065 -4.451 1.00 0.00 O ATOM 1609 CB VAL A 106 8.113 8.783 -2.602 1.00 0.00 C ATOM 1610 CG1 VAL A 106 7.692 10.243 -2.419 1.00 0.00 C ATOM 1611 CG2 VAL A 106 7.127 7.838 -1.911 1.00 0.00 C ATOM 0 H VAL A 106 6.221 8.919 -4.176 1.00 0.00 H new ATOM 0 HA VAL A 106 8.943 9.169 -4.511 1.00 0.00 H new ATOM 0 HB VAL A 106 9.088 8.653 -2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.596 10.463 -1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 106 8.445 10.897 -2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 106 6.734 10.410 -2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 106 7.043 8.107 -0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.150 7.921 -2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.486 6.812 -1.996 1.00 0.00 H new ATOM 1621 N GLU A 107 10.191 7.023 -4.361 1.00 0.00 N ATOM 1622 CA GLU A 107 10.906 5.776 -4.576 1.00 0.00 C ATOM 1623 C GLU A 107 10.466 4.729 -3.551 1.00 0.00 C ATOM 1624 O GLU A 107 9.920 5.071 -2.503 1.00 0.00 O ATOM 1625 CB GLU A 107 12.419 5.995 -4.521 1.00 0.00 C ATOM 1626 CG GLU A 107 12.922 5.987 -3.076 1.00 0.00 C ATOM 1627 CD GLU A 107 14.257 6.726 -2.956 1.00 0.00 C ATOM 1628 OE1 GLU A 107 15.259 6.172 -3.457 1.00 0.00 O ATOM 1629 OE2 GLU A 107 14.244 7.828 -2.366 1.00 0.00 O ATOM 0 H GLU A 107 10.787 7.843 -4.251 1.00 0.00 H new ATOM 0 HA GLU A 107 10.662 5.407 -5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 107 12.924 5.214 -5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.670 6.945 -4.992 1.00 0.00 H new ATOM 0 HG2 GLU A 107 12.183 6.457 -2.427 1.00 0.00 H new ATOM 0 HG3 GLU A 107 13.039 4.959 -2.734 1.00 0.00 H new ATOM 1636 N MET A 108 10.720 3.473 -3.889 1.00 0.00 N ATOM 1637 CA MET A 108 10.357 2.374 -3.011 1.00 0.00 C ATOM 1638 C MET A 108 11.596 1.774 -2.343 1.00 0.00 C ATOM 1639 O MET A 108 11.884 0.590 -2.511 1.00 0.00 O ATOM 1640 CB MET A 108 9.638 1.291 -3.819 1.00 0.00 C ATOM 1641 CG MET A 108 8.136 1.571 -3.894 1.00 0.00 C ATOM 1642 SD MET A 108 7.347 0.385 -4.971 1.00 0.00 S ATOM 1643 CE MET A 108 7.357 1.302 -6.502 1.00 0.00 C ATOM 0 H MET A 108 11.173 3.192 -4.759 1.00 0.00 H new ATOM 0 HA MET A 108 9.697 2.758 -2.233 1.00 0.00 H new ATOM 0 HB2 MET A 108 10.054 1.246 -4.825 1.00 0.00 H new ATOM 0 HB3 MET A 108 9.808 0.317 -3.360 1.00 0.00 H new ATOM 0 HG2 MET A 108 7.698 1.518 -2.897 1.00 0.00 H new ATOM 0 HG3 MET A 108 7.964 2.582 -4.264 1.00 0.00 H new ATOM 0 HE1 MET A 108 6.897 0.703 -7.288 1.00 0.00 H new ATOM 0 HE2 MET A 108 6.795 2.228 -6.375 1.00 0.00 H new ATOM 0 HE3 MET A 108 8.385 1.536 -6.779 1.00 0.00 H new ATOM 1653 N THR A 109 12.295 2.618 -1.599 1.00 0.00 N ATOM 1654 CA THR A 109 13.496 2.186 -0.905 1.00 0.00 C ATOM 1655 C THR A 109 13.314 0.771 -0.354 1.00 0.00 C ATOM 1656 O THR A 109 14.104 -0.123 -0.656 1.00 0.00 O ATOM 1657 CB THR A 109 13.817 3.222 0.175 1.00 0.00 C ATOM 1658 OG1 THR A 109 12.646 3.249 0.988 1.00 0.00 O ATOM 1659 CG2 THR A 109 13.914 4.642 -0.386 1.00 0.00 C ATOM 0 H THR A 109 12.053 3.599 -1.462 1.00 0.00 H new ATOM 0 HA THR A 109 14.346 2.129 -1.585 1.00 0.00 H new ATOM 0 HB THR A 109 14.756 2.960 0.662 1.00 0.00 H new ATOM 0 HG1 THR A 109 12.768 3.894 1.716 1.00 0.00 H new ATOM 0 HG21 THR A 109 14.143 5.337 0.421 1.00 0.00 H new ATOM 0 HG22 THR A 109 14.704 4.684 -1.136 1.00 0.00 H new ATOM 0 HG23 THR A 109 12.964 4.918 -0.844 1.00 0.00 H new ATOM 1667 N GLY A 110 12.268 0.611 0.443 1.00 0.00 N ATOM 1668 CA GLY A 110 11.972 -0.681 1.039 1.00 0.00 C ATOM 1669 C GLY A 110 10.991 -0.536 2.204 1.00 0.00 C ATOM 1670 O GLY A 110 10.036 -1.303 2.315 1.00 0.00 O ATOM 0 H GLY A 110 11.615 1.354 0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 110 11.551 -1.345 0.285 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.894 -1.143 1.391 1.00 0.00 H new ATOM 1674 N LYS A 111 11.260 0.454 3.042 1.00 0.00 N ATOM 1675 CA LYS A 111 10.412 0.709 4.195 1.00 0.00 C ATOM 1676 C LYS A 111 8.967 0.894 3.728 1.00 0.00 C ATOM 1677 O LYS A 111 8.035 0.430 4.384 1.00 0.00 O ATOM 1678 CB LYS A 111 10.952 1.889 5.006 1.00 0.00 C ATOM 1679 CG LYS A 111 11.003 3.161 4.157 1.00 0.00 C ATOM 1680 CD LYS A 111 11.966 4.185 4.761 1.00 0.00 C ATOM 1681 CE LYS A 111 11.490 5.613 4.487 1.00 0.00 C ATOM 1682 NZ LYS A 111 11.916 6.519 5.576 1.00 0.00 N ATOM 0 H LYS A 111 12.052 1.089 2.946 1.00 0.00 H new ATOM 0 HA LYS A 111 10.422 -0.145 4.872 1.00 0.00 H new ATOM 0 HB2 LYS A 111 10.320 2.055 5.878 1.00 0.00 H new ATOM 0 HB3 LYS A 111 11.950 1.654 5.376 1.00 0.00 H new ATOM 0 HG2 LYS A 111 11.318 2.914 3.143 1.00 0.00 H new ATOM 0 HG3 LYS A 111 10.005 3.594 4.084 1.00 0.00 H new ATOM 0 HD2 LYS A 111 12.046 4.024 5.836 1.00 0.00 H new ATOM 0 HD3 LYS A 111 12.963 4.043 4.343 1.00 0.00 H new ATOM 0 HE2 LYS A 111 11.895 5.961 3.537 1.00 0.00 H new ATOM 0 HE3 LYS A 111 10.404 5.629 4.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 11.585 7.484 5.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 11.509 6.195 6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 12.954 6.516 5.644 1.00 0.00 H new ATOM 1696 N HIS A 112 8.825 1.573 2.599 1.00 0.00 N ATOM 1697 CA HIS A 112 7.509 1.825 2.037 1.00 0.00 C ATOM 1698 C HIS A 112 6.742 0.506 1.917 1.00 0.00 C ATOM 1699 O HIS A 112 5.547 0.451 2.205 1.00 0.00 O ATOM 1700 CB HIS A 112 7.620 2.570 0.706 1.00 0.00 C ATOM 1701 CG HIS A 112 8.259 3.934 0.817 1.00 0.00 C ATOM 1702 ND1 HIS A 112 8.834 4.583 -0.262 1.00 0.00 N ATOM 1703 CD2 HIS A 112 8.408 4.764 1.889 1.00 0.00 C ATOM 1704 CE1 HIS A 112 9.304 5.750 0.154 1.00 0.00 C ATOM 1705 NE2 HIS A 112 9.040 5.860 1.487 1.00 0.00 N ATOM 0 H HIS A 112 9.600 1.957 2.058 1.00 0.00 H new ATOM 0 HA HIS A 112 6.943 2.475 2.704 1.00 0.00 H new ATOM 0 HB2 HIS A 112 8.200 1.964 0.010 1.00 0.00 H new ATOM 0 HB3 HIS A 112 6.623 2.681 0.279 1.00 0.00 H new ATOM 0 HD1 HIS A 112 8.887 4.224 -1.215 1.00 0.00 H new ATOM 0 HD2 HIS A 112 8.069 4.563 2.895 1.00 0.00 H new ATOM 0 HE1 HIS A 112 9.808 6.485 -0.456 1.00 0.00 H new ATOM 1713 N GLN A 113 7.460 -0.522 1.490 1.00 0.00 N ATOM 1714 CA GLN A 113 6.862 -1.836 1.327 1.00 0.00 C ATOM 1715 C GLN A 113 6.593 -2.470 2.693 1.00 0.00 C ATOM 1716 O GLN A 113 7.474 -2.501 3.551 1.00 0.00 O ATOM 1717 CB GLN A 113 7.749 -2.740 0.468 1.00 0.00 C ATOM 1718 CG GLN A 113 8.249 -1.998 -0.773 1.00 0.00 C ATOM 1719 CD GLN A 113 8.076 -2.853 -2.030 1.00 0.00 C ATOM 1720 OE1 GLN A 113 7.796 -4.039 -1.971 1.00 0.00 O ATOM 1721 NE2 GLN A 113 8.259 -2.187 -3.166 1.00 0.00 N ATOM 0 H GLN A 113 8.451 -0.472 1.252 1.00 0.00 H new ATOM 0 HA GLN A 113 5.910 -1.718 0.809 1.00 0.00 H new ATOM 0 HB2 GLN A 113 8.599 -3.086 1.056 1.00 0.00 H new ATOM 0 HB3 GLN A 113 7.188 -3.625 0.166 1.00 0.00 H new ATOM 0 HG2 GLN A 113 7.701 -1.063 -0.887 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.300 -1.739 -0.647 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.492 -1.194 -3.143 1.00 0.00 H new ATOM 0 HE22 GLN A 113 8.167 -2.669 -4.060 1.00 0.00 H new ATOM 1730 N LEU A 114 5.372 -2.959 2.854 1.00 0.00 N ATOM 1731 CA LEU A 114 4.977 -3.590 4.101 1.00 0.00 C ATOM 1732 C LEU A 114 6.141 -4.425 4.637 1.00 0.00 C ATOM 1733 O LEU A 114 6.541 -4.271 5.791 1.00 0.00 O ATOM 1734 CB LEU A 114 3.685 -4.388 3.912 1.00 0.00 C ATOM 1735 CG LEU A 114 2.464 -3.588 3.452 1.00 0.00 C ATOM 1736 CD1 LEU A 114 2.415 -2.220 4.136 1.00 0.00 C ATOM 1737 CD2 LEU A 114 2.430 -3.468 1.927 1.00 0.00 C ATOM 0 H LEU A 114 4.643 -2.931 2.141 1.00 0.00 H new ATOM 0 HA LEU A 114 4.752 -2.835 4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.872 -5.178 3.185 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.441 -4.875 4.856 1.00 0.00 H new ATOM 0 HG LEU A 114 1.567 -4.130 3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.538 -1.672 3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 114 2.357 -2.355 5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.315 -1.657 3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.553 -2.895 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.331 -2.960 1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.382 -4.463 1.485 1.00 0.00 H new ATOM 1749 N SER A 115 6.654 -5.290 3.775 1.00 0.00 N ATOM 1750 CA SER A 115 7.765 -6.149 4.147 1.00 0.00 C ATOM 1751 C SER A 115 7.374 -7.023 5.341 1.00 0.00 C ATOM 1752 O SER A 115 7.179 -6.519 6.446 1.00 0.00 O ATOM 1753 CB SER A 115 9.011 -5.326 4.478 1.00 0.00 C ATOM 1754 OG SER A 115 10.099 -5.632 3.610 1.00 0.00 O ATOM 0 H SER A 115 6.320 -5.415 2.819 1.00 0.00 H new ATOM 0 HA SER A 115 8.001 -6.790 3.297 1.00 0.00 H new ATOM 0 HB2 SER A 115 8.775 -4.265 4.403 1.00 0.00 H new ATOM 0 HB3 SER A 115 9.306 -5.515 5.510 1.00 0.00 H new ATOM 0 HG SER A 115 10.875 -5.085 3.853 1.00 0.00 H new ATOM 1760 N GLY A 116 7.270 -8.317 5.078 1.00 0.00 N ATOM 1761 CA GLY A 116 6.906 -9.265 6.117 1.00 0.00 C ATOM 1762 C GLY A 116 8.089 -9.542 7.046 1.00 0.00 C ATOM 1763 O GLY A 116 8.857 -8.636 7.366 1.00 0.00 O ATOM 0 H GLY A 116 7.431 -8.731 4.160 1.00 0.00 H new ATOM 0 HA2 GLY A 116 6.069 -8.873 6.695 1.00 0.00 H new ATOM 0 HA3 GLY A 116 6.570 -10.197 5.662 1.00 0.00 H new ATOM 1767 N PRO A 117 8.203 -10.831 7.465 1.00 0.00 N ATOM 1768 CA PRO A 117 9.280 -11.238 8.351 1.00 0.00 C ATOM 1769 C PRO A 117 10.607 -11.330 7.595 1.00 0.00 C ATOM 1770 O PRO A 117 10.624 -11.362 6.366 1.00 0.00 O ATOM 1771 CB PRO A 117 8.831 -12.571 8.928 1.00 0.00 C ATOM 1772 CG PRO A 117 7.744 -13.083 7.998 1.00 0.00 C ATOM 1773 CD PRO A 117 7.312 -11.931 7.106 1.00 0.00 C ATOM 0 HA PRO A 117 9.466 -10.517 9.147 1.00 0.00 H new ATOM 0 HB2 PRO A 117 9.663 -13.274 8.981 1.00 0.00 H new ATOM 0 HB3 PRO A 117 8.452 -12.449 9.943 1.00 0.00 H new ATOM 0 HG2 PRO A 117 8.116 -13.913 7.397 1.00 0.00 H new ATOM 0 HG3 PRO A 117 6.897 -13.460 8.572 1.00 0.00 H new ATOM 0 HD2 PRO A 117 7.407 -12.190 6.051 1.00 0.00 H new ATOM 0 HD3 PRO A 117 6.268 -11.667 7.277 1.00 0.00 H new ATOM 1781 N SER A 118 11.686 -11.371 8.362 1.00 0.00 N ATOM 1782 CA SER A 118 13.015 -11.459 7.781 1.00 0.00 C ATOM 1783 C SER A 118 13.349 -12.917 7.457 1.00 0.00 C ATOM 1784 O SER A 118 13.496 -13.280 6.291 1.00 0.00 O ATOM 1785 CB SER A 118 14.068 -10.869 8.721 1.00 0.00 C ATOM 1786 OG SER A 118 13.989 -9.448 8.786 1.00 0.00 O ATOM 0 H SER A 118 11.667 -11.345 9.381 1.00 0.00 H new ATOM 0 HA SER A 118 13.024 -10.877 6.859 1.00 0.00 H new ATOM 0 HB2 SER A 118 13.937 -11.285 9.720 1.00 0.00 H new ATOM 0 HB3 SER A 118 15.062 -11.162 8.382 1.00 0.00 H new ATOM 0 HG SER A 118 14.676 -9.110 9.397 1.00 0.00 H new ATOM 1792 N SER A 119 13.459 -13.713 8.510 1.00 0.00 N ATOM 1793 CA SER A 119 13.773 -15.123 8.353 1.00 0.00 C ATOM 1794 C SER A 119 15.182 -15.284 7.779 1.00 0.00 C ATOM 1795 O SER A 119 15.387 -15.132 6.575 1.00 0.00 O ATOM 1796 CB SER A 119 12.750 -15.818 7.452 1.00 0.00 C ATOM 1797 OG SER A 119 12.251 -17.017 8.038 1.00 0.00 O ATOM 0 H SER A 119 13.336 -13.408 9.476 1.00 0.00 H new ATOM 0 HA SER A 119 13.731 -15.594 9.335 1.00 0.00 H new ATOM 0 HB2 SER A 119 11.921 -15.139 7.254 1.00 0.00 H new ATOM 0 HB3 SER A 119 13.210 -16.048 6.491 1.00 0.00 H new ATOM 0 HG SER A 119 11.600 -17.430 7.433 1.00 0.00 H new ATOM 1803 N GLY A 120 16.117 -15.590 8.666 1.00 0.00 N ATOM 1804 CA GLY A 120 17.501 -15.773 8.263 1.00 0.00 C ATOM 1805 C GLY A 120 18.213 -16.768 9.182 1.00 0.00 C ATOM 1806 O GLY A 120 17.718 -17.084 10.263 1.00 0.00 O ATOM 0 H GLY A 120 15.943 -15.716 9.663 1.00 0.00 H new ATOM 0 HA2 GLY A 120 17.540 -16.131 7.234 1.00 0.00 H new ATOM 0 HA3 GLY A 120 18.020 -14.815 8.287 1.00 0.00 H new TER 1810 GLY A 120