USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 934 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 52 TYR OH : rot 125:sc= 0.468 USER MOD Set 1.2: A 65 GLN : amide:sc= -4.47! C(o=-4!,f=-5.2!) USER MOD Set 2.1: A 55 THR OG1 : rot -78:sc= 0.447 USER MOD Set 2.2: A 56 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 54 GLN : amide:sc= -3.52 K(o=-3.8,f=-4.8!) USER MOD Set 3.2: A 59 GLN : amide:sc= -0.262 K(o=-3.8,f=-7.2!) USER MOD Set 3.3: A 88 TYR OH : rot 30:sc= 0 USER MOD Set 4.1: A 51 MET CE :methyl -123:sc= -0.109 (180deg=-0.534) USER MOD Set 4.2: A 91 LYS NZ :NH3+ -178:sc= -2.3 (180deg=-2.39) USER MOD Set 5.1: A 22 HIS : no HE2:sc= -0.789 K(o=-1.4,f=-3.9) USER MOD Set 5.2: A 37 THR OG1 : rot -109:sc= -0.564 USER MOD Set 6.1: A 33 GLN : amide:sc= -2.34 X(o=-2.4,f=-2.4!) USER MOD Set 6.2: A 35 THR OG1 : rot -46:sc= -0.0527 USER MOD Set 7.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 7.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0416 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0989 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 9 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.4!) USER MOD Single : A 11 GLN : amide:sc= -0.163 K(o=-0.16,f=-1.7!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -4.7! C(o=-4.7!,f=-4.3!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.893 K(o=-0.89,f=-7.6!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.685 USER MOD Single : A 61 THR OG1 : rot -55:sc= 0.0853 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 5:sc= 0.429 USER MOD Single : A 66 ASN : amide:sc= -0.773 K(o=-0.77,f=-0.24) USER MOD Single : A 70 LYS NZ :NH3+ -135:sc= 0.593 (180deg=-1.49) USER MOD Single : A 73 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 76 SER OG : rot 26:sc= 0.501 USER MOD Single : A 81 ASN : amide:sc= -1.13 X(o=-1.1,f=-1.2) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.8!) USER MOD Single : A 100 GLN : amide:sc= -1.45 K(o=-1.4,f=-2.3!) USER MOD Single : A 102 MET CE :methyl 157:sc= -0.19 (180deg=-0.92) USER MOD Single : A 104 SER OG : rot -160:sc= -0.268 USER MOD Single : A 106 SER OG : rot 37:sc= 0.299 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : A 111 THR OG1 : rot 177:sc= 1.2 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.177 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 -26.916 24.474 17.066 1.00 0.00 N ATOM 2 CA GLY A 1 -25.743 24.950 17.776 1.00 0.00 C ATOM 3 C GLY A 1 -24.652 25.429 16.840 1.00 0.00 C ATOM 4 O GLY A 1 -24.929 25.841 15.713 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.768 24.910 17.472 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.841 24.731 16.061 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.980 23.440 17.155 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.030 25.765 18.441 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.353 24.149 18.404 1.00 0.00 H new ATOM 8 N SER A 2 -23.409 25.378 17.306 1.00 0.00 N ATOM 9 CA SER A 2 -22.272 25.816 16.504 1.00 0.00 C ATOM 10 C SER A 2 -21.276 24.677 16.306 1.00 0.00 C ATOM 11 O SER A 2 -21.000 24.269 15.178 1.00 0.00 O ATOM 12 CB SER A 2 -21.579 27.005 17.171 1.00 0.00 C ATOM 13 OG SER A 2 -21.208 26.698 18.504 1.00 0.00 O ATOM 0 H SER A 2 -23.163 25.038 18.235 1.00 0.00 H new ATOM 0 HA SER A 2 -22.645 26.123 15.527 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.694 27.282 16.599 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.245 27.868 17.165 1.00 0.00 H new ATOM 0 HG SER A 2 -20.765 27.474 18.907 1.00 0.00 H new ATOM 19 N SER A 3 -20.741 24.169 17.411 1.00 0.00 N ATOM 20 CA SER A 3 -19.772 23.080 17.360 1.00 0.00 C ATOM 21 C SER A 3 -20.466 21.729 17.504 1.00 0.00 C ATOM 22 O SER A 3 -21.496 21.614 18.166 1.00 0.00 O ATOM 23 CB SER A 3 -18.726 23.248 18.463 1.00 0.00 C ATOM 24 OG SER A 3 -17.800 24.271 18.136 1.00 0.00 O ATOM 0 H SER A 3 -20.962 24.494 18.352 1.00 0.00 H new ATOM 0 HA SER A 3 -19.276 23.113 16.390 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.221 23.488 19.404 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.196 22.307 18.612 1.00 0.00 H new ATOM 0 HG SER A 3 -17.143 24.360 18.857 1.00 0.00 H new ATOM 30 N GLY A 4 -19.893 20.706 16.876 1.00 0.00 N ATOM 31 CA GLY A 4 -20.469 19.376 16.945 1.00 0.00 C ATOM 32 C GLY A 4 -20.104 18.523 15.746 1.00 0.00 C ATOM 33 O GLY A 4 -20.122 18.997 14.610 1.00 0.00 O ATOM 0 H GLY A 4 -19.040 20.775 16.321 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.128 18.883 17.855 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.554 19.456 17.013 1.00 0.00 H new ATOM 37 N SER A 5 -19.769 17.262 15.999 1.00 0.00 N ATOM 38 CA SER A 5 -19.393 16.342 14.932 1.00 0.00 C ATOM 39 C SER A 5 -20.515 15.348 14.650 1.00 0.00 C ATOM 40 O SER A 5 -20.268 14.163 14.425 1.00 0.00 O ATOM 41 CB SER A 5 -18.113 15.592 15.305 1.00 0.00 C ATOM 42 OG SER A 5 -17.018 16.482 15.429 1.00 0.00 O ATOM 0 H SER A 5 -19.750 16.854 16.934 1.00 0.00 H new ATOM 0 HA SER A 5 -19.214 16.926 14.029 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.261 15.059 16.244 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.892 14.843 14.545 1.00 0.00 H new ATOM 0 HG SER A 5 -16.213 15.978 15.670 1.00 0.00 H new ATOM 48 N SER A 6 -21.750 15.839 14.665 1.00 0.00 N ATOM 49 CA SER A 6 -22.912 14.994 14.416 1.00 0.00 C ATOM 50 C SER A 6 -22.591 13.921 13.380 1.00 0.00 C ATOM 51 O SER A 6 -22.796 12.732 13.617 1.00 0.00 O ATOM 52 CB SER A 6 -24.093 15.842 13.940 1.00 0.00 C ATOM 53 OG SER A 6 -25.327 15.257 14.319 1.00 0.00 O ATOM 0 H SER A 6 -21.972 16.818 14.847 1.00 0.00 H new ATOM 0 HA SER A 6 -23.181 14.503 15.351 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.018 16.845 14.361 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.055 15.948 12.856 1.00 0.00 H new ATOM 0 HG SER A 6 -26.066 15.819 14.005 1.00 0.00 H new ATOM 59 N GLY A 7 -22.086 14.352 12.228 1.00 0.00 N ATOM 60 CA GLY A 7 -21.745 13.417 11.171 1.00 0.00 C ATOM 61 C GLY A 7 -22.743 13.441 10.031 1.00 0.00 C ATOM 62 O GLY A 7 -23.533 12.511 9.870 1.00 0.00 O ATOM 0 H GLY A 7 -21.907 15.332 12.008 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.753 13.654 10.786 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.694 12.410 11.584 1.00 0.00 H new ATOM 66 N ARG A 8 -22.710 14.508 9.239 1.00 0.00 N ATOM 67 CA ARG A 8 -23.621 14.650 8.110 1.00 0.00 C ATOM 68 C ARG A 8 -22.898 14.387 6.792 1.00 0.00 C ATOM 69 O ARG A 8 -23.466 13.808 5.867 1.00 0.00 O ATOM 70 CB ARG A 8 -24.235 16.051 8.096 1.00 0.00 C ATOM 71 CG ARG A 8 -23.219 17.164 8.295 1.00 0.00 C ATOM 72 CD ARG A 8 -23.642 18.438 7.580 1.00 0.00 C ATOM 73 NE ARG A 8 -24.441 19.308 8.439 1.00 0.00 N ATOM 74 CZ ARG A 8 -24.631 20.601 8.203 1.00 0.00 C ATOM 75 NH1 ARG A 8 -24.082 21.171 7.139 1.00 0.00 N ATOM 76 NH2 ARG A 8 -25.371 21.327 9.031 1.00 0.00 N ATOM 0 H ARG A 8 -22.062 15.287 9.359 1.00 0.00 H new ATOM 0 HA ARG A 8 -24.416 13.913 8.222 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -24.748 16.204 7.146 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -24.990 16.115 8.880 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -23.101 17.365 9.360 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -22.247 16.842 7.922 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -22.756 18.976 7.243 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -24.216 18.181 6.690 1.00 0.00 H new ATOM 0 HE ARG A 8 -24.877 18.900 9.266 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -23.513 20.616 6.500 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -24.229 22.164 6.960 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -25.795 20.892 9.850 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -25.516 22.320 8.848 1.00 0.00 H new ATOM 90 N GLN A 9 -21.643 14.818 6.715 1.00 0.00 N ATOM 91 CA GLN A 9 -20.844 14.630 5.510 1.00 0.00 C ATOM 92 C GLN A 9 -20.295 13.209 5.437 1.00 0.00 C ATOM 93 O GLN A 9 -19.621 12.841 4.475 1.00 0.00 O ATOM 94 CB GLN A 9 -19.692 15.636 5.474 1.00 0.00 C ATOM 95 CG GLN A 9 -18.532 15.266 6.384 1.00 0.00 C ATOM 96 CD GLN A 9 -17.287 16.085 6.106 1.00 0.00 C ATOM 97 OE1 GLN A 9 -17.094 16.585 4.997 1.00 0.00 O ATOM 98 NE2 GLN A 9 -16.435 16.229 7.114 1.00 0.00 N ATOM 0 H GLN A 9 -21.158 15.299 7.472 1.00 0.00 H new ATOM 0 HA GLN A 9 -21.489 14.796 4.647 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -19.327 15.721 4.450 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -20.069 16.618 5.761 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -18.831 15.408 7.423 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -18.301 14.208 6.260 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -16.635 15.797 8.016 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -15.581 16.771 6.986 1.00 0.00 H new ATOM 107 N VAL A 10 -20.589 12.413 6.460 1.00 0.00 N ATOM 108 CA VAL A 10 -20.126 11.031 6.511 1.00 0.00 C ATOM 109 C VAL A 10 -20.583 10.252 5.283 1.00 0.00 C ATOM 110 O VAL A 10 -19.767 9.841 4.458 1.00 0.00 O ATOM 111 CB VAL A 10 -20.634 10.316 7.777 1.00 0.00 C ATOM 112 CG1 VAL A 10 -19.976 8.951 7.920 1.00 0.00 C ATOM 113 CG2 VAL A 10 -20.380 11.170 9.010 1.00 0.00 C ATOM 0 H VAL A 10 -21.146 12.701 7.265 1.00 0.00 H new ATOM 0 HA VAL A 10 -19.037 11.063 6.532 1.00 0.00 H new ATOM 0 HB VAL A 10 -21.710 10.167 7.682 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -20.347 8.461 8.820 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -20.214 8.340 7.049 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -18.895 9.074 7.993 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -20.745 10.649 9.895 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.310 11.352 9.112 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -20.902 12.121 8.908 1.00 0.00 H new ATOM 123 N GLN A 11 -21.893 10.055 5.167 1.00 0.00 N ATOM 124 CA GLN A 11 -22.458 9.325 4.039 1.00 0.00 C ATOM 125 C GLN A 11 -22.638 10.241 2.833 1.00 0.00 C ATOM 126 O GLN A 11 -23.477 9.989 1.968 1.00 0.00 O ATOM 127 CB GLN A 11 -23.801 8.704 4.427 1.00 0.00 C ATOM 128 CG GLN A 11 -23.745 7.885 5.707 1.00 0.00 C ATOM 129 CD GLN A 11 -24.861 6.863 5.795 1.00 0.00 C ATOM 130 OE1 GLN A 11 -25.392 6.417 4.777 1.00 0.00 O ATOM 131 NE2 GLN A 11 -25.223 6.486 7.016 1.00 0.00 N ATOM 0 H GLN A 11 -22.582 10.391 5.840 1.00 0.00 H new ATOM 0 HA GLN A 11 -21.763 8.530 3.768 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -24.538 9.498 4.545 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -24.146 8.067 3.613 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -22.784 7.374 5.765 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -23.802 8.555 6.565 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -24.755 6.882 7.832 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -25.969 5.801 7.138 1.00 0.00 H new ATOM 140 N LYS A 12 -21.846 11.307 2.783 1.00 0.00 N ATOM 141 CA LYS A 12 -21.917 12.262 1.683 1.00 0.00 C ATOM 142 C LYS A 12 -20.596 12.314 0.922 1.00 0.00 C ATOM 143 O LYS A 12 -20.579 12.387 -0.306 1.00 0.00 O ATOM 144 CB LYS A 12 -22.268 13.655 2.211 1.00 0.00 C ATOM 145 CG LYS A 12 -22.477 14.686 1.116 1.00 0.00 C ATOM 146 CD LYS A 12 -23.762 14.429 0.346 1.00 0.00 C ATOM 147 CE LYS A 12 -23.771 15.164 -0.986 1.00 0.00 C ATOM 148 NZ LYS A 12 -24.917 14.748 -1.841 1.00 0.00 N ATOM 0 H LYS A 12 -21.147 11.531 3.492 1.00 0.00 H new ATOM 0 HA LYS A 12 -22.698 11.932 0.998 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -23.174 13.588 2.813 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -21.471 13.995 2.872 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -22.508 15.683 1.555 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -21.630 14.666 0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -23.876 13.359 0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -24.616 14.748 0.944 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -23.822 16.238 -0.808 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -22.836 14.972 -1.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -24.888 15.271 -2.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -24.855 13.728 -2.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -25.810 14.954 -1.349 1.00 0.00 H new ATOM 162 N GLU A 13 -19.491 12.274 1.660 1.00 0.00 N ATOM 163 CA GLU A 13 -18.166 12.316 1.053 1.00 0.00 C ATOM 164 C GLU A 13 -17.567 10.915 0.957 1.00 0.00 C ATOM 165 O GLU A 13 -16.925 10.569 -0.036 1.00 0.00 O ATOM 166 CB GLU A 13 -17.238 13.225 1.863 1.00 0.00 C ATOM 167 CG GLU A 13 -15.765 12.892 1.698 1.00 0.00 C ATOM 168 CD GLU A 13 -15.259 13.162 0.294 1.00 0.00 C ATOM 169 OE1 GLU A 13 -15.942 12.760 -0.671 1.00 0.00 O ATOM 170 OE2 GLU A 13 -14.180 13.776 0.161 1.00 0.00 O ATOM 0 H GLU A 13 -19.487 12.213 2.678 1.00 0.00 H new ATOM 0 HA GLU A 13 -18.269 12.719 0.045 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.404 14.260 1.563 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.502 13.153 2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.182 13.478 2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.604 11.842 1.942 1.00 0.00 H new ATOM 177 N LEU A 14 -17.780 10.115 1.995 1.00 0.00 N ATOM 178 CA LEU A 14 -17.261 8.752 2.030 1.00 0.00 C ATOM 179 C LEU A 14 -17.291 8.123 0.640 1.00 0.00 C ATOM 180 O LEU A 14 -16.249 7.805 0.069 1.00 0.00 O ATOM 181 CB LEU A 14 -18.075 7.900 3.005 1.00 0.00 C ATOM 182 CG LEU A 14 -17.730 6.411 3.045 1.00 0.00 C ATOM 183 CD1 LEU A 14 -16.577 6.155 4.003 1.00 0.00 C ATOM 184 CD2 LEU A 14 -18.949 5.591 3.444 1.00 0.00 C ATOM 0 H LEU A 14 -18.309 10.386 2.824 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.226 8.792 2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.948 8.309 4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -19.130 8.001 2.751 1.00 0.00 H new ATOM 0 HG LEU A 14 -17.421 6.103 2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -16.346 5.090 4.018 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.700 6.712 3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.858 6.479 5.005 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -18.685 4.534 3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -19.289 5.902 4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -19.747 5.750 2.719 1.00 0.00 H new ATOM 196 N GLY A 15 -18.494 7.947 0.101 1.00 0.00 N ATOM 197 CA GLY A 15 -18.638 7.359 -1.218 1.00 0.00 C ATOM 198 C GLY A 15 -17.933 8.165 -2.291 1.00 0.00 C ATOM 199 O GLY A 15 -17.229 7.607 -3.134 1.00 0.00 O ATOM 0 H GLY A 15 -19.371 8.201 0.555 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -18.237 6.346 -1.207 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.697 7.280 -1.464 1.00 0.00 H new ATOM 203 N ASP A 16 -18.124 9.479 -2.263 1.00 0.00 N ATOM 204 CA ASP A 16 -17.502 10.363 -3.242 1.00 0.00 C ATOM 205 C ASP A 16 -16.011 10.067 -3.372 1.00 0.00 C ATOM 206 O ASP A 16 -15.485 9.948 -4.479 1.00 0.00 O ATOM 207 CB ASP A 16 -17.711 11.825 -2.846 1.00 0.00 C ATOM 208 CG ASP A 16 -19.059 12.359 -3.292 1.00 0.00 C ATOM 209 OD1 ASP A 16 -19.508 11.987 -4.396 1.00 0.00 O ATOM 210 OD2 ASP A 16 -19.664 13.148 -2.536 1.00 0.00 O ATOM 0 H ASP A 16 -18.705 9.956 -1.573 1.00 0.00 H new ATOM 0 HA ASP A 16 -17.975 10.185 -4.208 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -17.626 11.921 -1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -16.920 12.434 -3.283 1.00 0.00 H new ATOM 215 N VAL A 17 -15.335 9.949 -2.233 1.00 0.00 N ATOM 216 CA VAL A 17 -13.904 9.667 -2.219 1.00 0.00 C ATOM 217 C VAL A 17 -13.580 8.430 -3.050 1.00 0.00 C ATOM 218 O VAL A 17 -14.190 7.374 -2.875 1.00 0.00 O ATOM 219 CB VAL A 17 -13.388 9.457 -0.783 1.00 0.00 C ATOM 220 CG1 VAL A 17 -11.904 9.125 -0.793 1.00 0.00 C ATOM 221 CG2 VAL A 17 -13.661 10.690 0.066 1.00 0.00 C ATOM 0 H VAL A 17 -15.755 10.044 -1.308 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.406 10.534 -2.653 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.922 8.615 -0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -11.557 8.980 0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.739 8.212 -1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.351 9.945 -1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -13.290 10.525 1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -13.155 11.551 -0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -14.734 10.879 0.099 1.00 0.00 H new ATOM 231 N LEU A 18 -12.617 8.567 -3.954 1.00 0.00 N ATOM 232 CA LEU A 18 -12.210 7.460 -4.813 1.00 0.00 C ATOM 233 C LEU A 18 -10.734 7.130 -4.613 1.00 0.00 C ATOM 234 O LEU A 18 -9.872 7.627 -5.338 1.00 0.00 O ATOM 235 CB LEU A 18 -12.473 7.804 -6.280 1.00 0.00 C ATOM 236 CG LEU A 18 -12.694 6.617 -7.218 1.00 0.00 C ATOM 237 CD1 LEU A 18 -13.326 7.078 -8.522 1.00 0.00 C ATOM 238 CD2 LEU A 18 -11.380 5.896 -7.485 1.00 0.00 C ATOM 0 H LEU A 18 -12.103 9.434 -4.112 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.799 6.585 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.350 8.449 -6.330 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.629 8.384 -6.653 1.00 0.00 H new ATOM 0 HG LEU A 18 -13.377 5.918 -6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.476 6.220 -9.177 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -14.287 7.548 -8.314 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.669 7.797 -9.011 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.556 5.054 -8.154 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.674 6.586 -7.948 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.967 5.531 -6.544 1.00 0.00 H new ATOM 250 N VAL A 19 -10.450 6.287 -3.625 1.00 0.00 N ATOM 251 CA VAL A 19 -9.079 5.887 -3.331 1.00 0.00 C ATOM 252 C VAL A 19 -8.405 5.291 -4.562 1.00 0.00 C ATOM 253 O VAL A 19 -8.973 4.435 -5.240 1.00 0.00 O ATOM 254 CB VAL A 19 -9.027 4.861 -2.184 1.00 0.00 C ATOM 255 CG1 VAL A 19 -7.587 4.493 -1.861 1.00 0.00 C ATOM 256 CG2 VAL A 19 -9.737 5.404 -0.952 1.00 0.00 C ATOM 0 H VAL A 19 -11.151 5.868 -3.015 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.545 6.787 -3.027 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.544 3.957 -2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.571 3.767 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.115 4.061 -2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.042 5.387 -1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.691 4.666 -0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.250 6.323 -0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.779 5.612 -1.195 1.00 0.00 H new ATOM 266 N ARG A 20 -7.190 5.750 -4.845 1.00 0.00 N ATOM 267 CA ARG A 20 -6.438 5.262 -5.995 1.00 0.00 C ATOM 268 C ARG A 20 -5.248 4.418 -5.548 1.00 0.00 C ATOM 269 O ARG A 20 -4.241 4.946 -5.076 1.00 0.00 O ATOM 270 CB ARG A 20 -5.953 6.436 -6.848 1.00 0.00 C ATOM 271 CG ARG A 20 -7.069 7.149 -7.593 1.00 0.00 C ATOM 272 CD ARG A 20 -6.549 7.843 -8.843 1.00 0.00 C ATOM 273 NE ARG A 20 -6.558 6.958 -10.004 1.00 0.00 N ATOM 274 CZ ARG A 20 -7.634 6.738 -10.753 1.00 0.00 C ATOM 275 NH1 ARG A 20 -8.781 7.337 -10.463 1.00 0.00 N ATOM 276 NH2 ARG A 20 -7.563 5.918 -11.794 1.00 0.00 N ATOM 0 H ARG A 20 -6.706 6.459 -4.294 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.101 4.636 -6.593 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.440 7.153 -6.207 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.221 6.072 -7.569 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.841 6.431 -7.869 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.536 7.882 -6.936 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.161 8.721 -9.051 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.534 8.197 -8.665 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.691 6.482 -10.254 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.839 7.968 -9.664 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.605 7.167 -11.039 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.682 5.456 -12.020 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.389 5.750 -12.368 1.00 0.00 H new ATOM 290 N LEU A 21 -5.372 3.104 -5.700 1.00 0.00 N ATOM 291 CA LEU A 21 -4.307 2.185 -5.312 1.00 0.00 C ATOM 292 C LEU A 21 -3.335 1.960 -6.466 1.00 0.00 C ATOM 293 O LEU A 21 -3.632 1.224 -7.407 1.00 0.00 O ATOM 294 CB LEU A 21 -4.899 0.849 -4.861 1.00 0.00 C ATOM 295 CG LEU A 21 -4.021 0.004 -3.937 1.00 0.00 C ATOM 296 CD1 LEU A 21 -3.636 0.795 -2.696 1.00 0.00 C ATOM 297 CD2 LEU A 21 -4.737 -1.282 -3.551 1.00 0.00 C ATOM 0 H LEU A 21 -6.199 2.651 -6.089 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.760 2.632 -4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.843 1.046 -4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.131 0.259 -5.748 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.109 -0.258 -4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.011 0.178 -2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.083 1.687 -2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.537 1.088 -2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.098 -1.871 -2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.665 -1.040 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.961 -1.857 -4.449 1.00 0.00 H new ATOM 309 N HIS A 22 -2.171 2.598 -6.385 1.00 0.00 N ATOM 310 CA HIS A 22 -1.153 2.465 -7.421 1.00 0.00 C ATOM 311 C HIS A 22 -0.702 1.014 -7.556 1.00 0.00 C ATOM 312 O HIS A 22 -1.073 0.324 -8.505 1.00 0.00 O ATOM 313 CB HIS A 22 0.047 3.357 -7.104 1.00 0.00 C ATOM 314 CG HIS A 22 -0.284 4.818 -7.073 1.00 0.00 C ATOM 315 ND1 HIS A 22 0.429 5.766 -7.776 1.00 0.00 N ATOM 316 CD2 HIS A 22 -1.261 5.491 -6.421 1.00 0.00 C ATOM 317 CE1 HIS A 22 -0.093 6.959 -7.555 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.120 6.820 -6.736 1.00 0.00 N ATOM 0 H HIS A 22 -1.910 3.212 -5.613 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.590 2.781 -8.368 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.461 3.066 -6.138 1.00 0.00 H new ATOM 0 HB3 HIS A 22 0.824 3.185 -7.849 1.00 0.00 H new ATOM 0 HD1 HIS A 22 1.234 5.576 -8.373 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.012 5.062 -5.774 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.260 7.890 -7.973 1.00 0.00 H new ATOM 327 N ASN A 23 0.102 0.558 -6.601 1.00 0.00 N ATOM 328 CA ASN A 23 0.606 -0.811 -6.614 1.00 0.00 C ATOM 329 C ASN A 23 1.406 -1.108 -5.350 1.00 0.00 C ATOM 330 O ASN A 23 2.315 -0.369 -4.973 1.00 0.00 O ATOM 331 CB ASN A 23 1.478 -1.043 -7.850 1.00 0.00 C ATOM 332 CG ASN A 23 0.676 -1.535 -9.039 1.00 0.00 C ATOM 333 OD1 ASN A 23 0.507 -0.820 -10.027 1.00 0.00 O ATOM 334 ND2 ASN A 23 0.177 -2.763 -8.949 1.00 0.00 N ATOM 0 H ASN A 23 0.419 1.116 -5.808 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.249 -1.487 -6.648 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.983 -0.114 -8.115 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.254 -1.771 -7.612 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.371 -3.148 -9.718 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.342 -3.320 -8.111 1.00 0.00 H new ATOM 341 N PRO A 24 1.061 -2.217 -4.679 1.00 0.00 N ATOM 342 CA PRO A 24 1.735 -2.639 -3.447 1.00 0.00 C ATOM 343 C PRO A 24 3.160 -3.118 -3.701 1.00 0.00 C ATOM 344 O PRO A 24 3.419 -4.320 -3.767 1.00 0.00 O ATOM 345 CB PRO A 24 0.864 -3.793 -2.944 1.00 0.00 C ATOM 346 CG PRO A 24 0.199 -4.326 -4.165 1.00 0.00 C ATOM 347 CD PRO A 24 -0.014 -3.145 -5.071 1.00 0.00 C ATOM 0 HA PRO A 24 1.834 -1.820 -2.735 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.466 -4.559 -2.455 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.132 -3.448 -2.214 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.819 -5.082 -4.648 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.749 -4.803 -3.916 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.061 -3.426 -6.122 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.000 -2.702 -4.929 1.00 0.00 H new ATOM 355 N VAL A 25 4.081 -2.171 -3.844 1.00 0.00 N ATOM 356 CA VAL A 25 5.481 -2.497 -4.090 1.00 0.00 C ATOM 357 C VAL A 25 5.968 -3.582 -3.136 1.00 0.00 C ATOM 358 O VAL A 25 5.817 -3.468 -1.919 1.00 0.00 O ATOM 359 CB VAL A 25 6.381 -1.256 -3.940 1.00 0.00 C ATOM 360 CG1 VAL A 25 7.843 -1.631 -4.126 1.00 0.00 C ATOM 361 CG2 VAL A 25 5.969 -0.177 -4.931 1.00 0.00 C ATOM 0 H VAL A 25 3.883 -1.172 -3.794 1.00 0.00 H new ATOM 0 HA VAL A 25 5.546 -2.862 -5.115 1.00 0.00 H new ATOM 0 HB VAL A 25 6.258 -0.859 -2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.464 -0.742 -4.017 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.128 -2.367 -3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.987 -2.053 -5.121 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.615 0.693 -4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.062 -0.561 -5.947 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.934 0.111 -4.746 1.00 0.00 H new ATOM 371 N VAL A 26 6.554 -4.636 -3.696 1.00 0.00 N ATOM 372 CA VAL A 26 7.065 -5.742 -2.896 1.00 0.00 C ATOM 373 C VAL A 26 8.536 -5.536 -2.549 1.00 0.00 C ATOM 374 O VAL A 26 9.418 -5.771 -3.376 1.00 0.00 O ATOM 375 CB VAL A 26 6.906 -7.086 -3.630 1.00 0.00 C ATOM 376 CG1 VAL A 26 7.323 -6.953 -5.086 1.00 0.00 C ATOM 377 CG2 VAL A 26 7.712 -8.172 -2.933 1.00 0.00 C ATOM 0 H VAL A 26 6.686 -4.747 -4.701 1.00 0.00 H new ATOM 0 HA VAL A 26 6.478 -5.766 -1.978 1.00 0.00 H new ATOM 0 HB VAL A 26 5.854 -7.372 -3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.204 -7.913 -5.588 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.698 -6.207 -5.577 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.367 -6.643 -5.139 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.588 -9.115 -3.465 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.766 -7.895 -2.926 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.360 -8.285 -1.908 1.00 0.00 H new ATOM 387 N LEU A 27 8.793 -5.095 -1.323 1.00 0.00 N ATOM 388 CA LEU A 27 10.157 -4.858 -0.865 1.00 0.00 C ATOM 389 C LEU A 27 10.840 -6.167 -0.483 1.00 0.00 C ATOM 390 O LEU A 27 11.998 -6.401 -0.829 1.00 0.00 O ATOM 391 CB LEU A 27 10.156 -3.903 0.330 1.00 0.00 C ATOM 392 CG LEU A 27 9.316 -2.634 0.175 1.00 0.00 C ATOM 393 CD1 LEU A 27 9.076 -1.985 1.529 1.00 0.00 C ATOM 394 CD2 LEU A 27 9.995 -1.658 -0.775 1.00 0.00 C ATOM 0 H LEU A 27 8.074 -4.894 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 27 10.715 -4.405 -1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.798 -4.447 1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.185 -3.610 0.536 1.00 0.00 H new ATOM 0 HG LEU A 27 8.350 -2.909 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.477 -1.084 1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.547 -2.682 2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.032 -1.723 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.384 -0.761 -0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.974 -1.388 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.114 -2.125 -1.753 1.00 0.00 H new ATOM 406 N THR A 28 10.112 -7.022 0.230 1.00 0.00 N ATOM 407 CA THR A 28 10.646 -8.308 0.658 1.00 0.00 C ATOM 408 C THR A 28 9.564 -9.382 0.652 1.00 0.00 C ATOM 409 O THR A 28 8.368 -9.093 0.699 1.00 0.00 O ATOM 410 CB THR A 28 11.259 -8.221 2.068 1.00 0.00 C ATOM 411 OG1 THR A 28 10.512 -7.302 2.871 1.00 0.00 O ATOM 412 CG2 THR A 28 12.713 -7.777 2.000 1.00 0.00 C ATOM 0 H THR A 28 9.151 -6.846 0.523 1.00 0.00 H new ATOM 0 HA THR A 28 11.427 -8.578 -0.053 1.00 0.00 H new ATOM 0 HB THR A 28 11.219 -9.213 2.519 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.907 -7.254 3.766 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.124 -7.723 3.008 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.285 -8.495 1.412 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.772 -6.795 1.531 1.00 0.00 H new ATOM 420 N PRO A 29 9.990 -10.653 0.593 1.00 0.00 N ATOM 421 CA PRO A 29 9.073 -11.796 0.581 1.00 0.00 C ATOM 422 C PRO A 29 8.371 -11.990 1.921 1.00 0.00 C ATOM 423 O PRO A 29 7.595 -12.930 2.097 1.00 0.00 O ATOM 424 CB PRO A 29 9.990 -12.984 0.280 1.00 0.00 C ATOM 425 CG PRO A 29 11.334 -12.556 0.761 1.00 0.00 C ATOM 426 CD PRO A 29 11.401 -11.071 0.535 1.00 0.00 C ATOM 0 HA PRO A 29 8.270 -11.666 -0.144 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.654 -13.884 0.794 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.005 -13.213 -0.786 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.466 -12.797 1.816 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.126 -13.070 0.216 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.999 -10.575 1.300 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.852 -10.831 -0.428 1.00 0.00 H new ATOM 434 N THR A 30 8.648 -11.095 2.864 1.00 0.00 N ATOM 435 CA THR A 30 8.044 -11.168 4.188 1.00 0.00 C ATOM 436 C THR A 30 7.265 -9.898 4.508 1.00 0.00 C ATOM 437 O THR A 30 6.415 -9.885 5.400 1.00 0.00 O ATOM 438 CB THR A 30 9.107 -11.393 5.279 1.00 0.00 C ATOM 439 OG1 THR A 30 10.186 -10.466 5.111 1.00 0.00 O ATOM 440 CG2 THR A 30 9.642 -12.816 5.228 1.00 0.00 C ATOM 0 H THR A 30 9.287 -10.311 2.735 1.00 0.00 H new ATOM 0 HA THR A 30 7.360 -12.017 4.177 1.00 0.00 H new ATOM 0 HB THR A 30 8.639 -11.232 6.250 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.857 -10.615 5.810 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.391 -12.951 6.008 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.823 -13.518 5.386 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.095 -13.000 4.254 1.00 0.00 H new ATOM 448 N THR A 31 7.559 -8.828 3.775 1.00 0.00 N ATOM 449 CA THR A 31 6.886 -7.552 3.982 1.00 0.00 C ATOM 450 C THR A 31 6.572 -6.874 2.653 1.00 0.00 C ATOM 451 O THR A 31 7.382 -6.898 1.726 1.00 0.00 O ATOM 452 CB THR A 31 7.739 -6.599 4.841 1.00 0.00 C ATOM 453 OG1 THR A 31 8.388 -7.332 5.886 1.00 0.00 O ATOM 454 CG2 THR A 31 6.880 -5.498 5.444 1.00 0.00 C ATOM 0 H THR A 31 8.259 -8.820 3.033 1.00 0.00 H new ATOM 0 HA THR A 31 5.955 -7.768 4.507 1.00 0.00 H new ATOM 0 HB THR A 31 8.490 -6.140 4.199 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.930 -6.720 6.427 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.504 -4.838 6.046 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.410 -4.924 4.645 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.109 -5.942 6.074 1.00 0.00 H new ATOM 462 N VAL A 32 5.391 -6.271 2.566 1.00 0.00 N ATOM 463 CA VAL A 32 4.970 -5.585 1.350 1.00 0.00 C ATOM 464 C VAL A 32 4.465 -4.180 1.658 1.00 0.00 C ATOM 465 O VAL A 32 3.677 -3.983 2.583 1.00 0.00 O ATOM 466 CB VAL A 32 3.864 -6.367 0.618 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.348 -5.575 -0.573 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.377 -7.731 0.180 1.00 0.00 C ATOM 0 H VAL A 32 4.708 -6.243 3.323 1.00 0.00 H new ATOM 0 HA VAL A 32 5.846 -5.520 0.705 1.00 0.00 H new ATOM 0 HB VAL A 32 3.034 -6.520 1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.567 -6.144 -1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.940 -4.625 -0.229 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.167 -5.388 -1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.582 -8.270 -0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.224 -7.602 -0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.692 -8.299 1.055 1.00 0.00 H new ATOM 478 N GLN A 33 4.924 -3.207 0.878 1.00 0.00 N ATOM 479 CA GLN A 33 4.518 -1.820 1.068 1.00 0.00 C ATOM 480 C GLN A 33 3.235 -1.518 0.300 1.00 0.00 C ATOM 481 O GLN A 33 2.937 -2.158 -0.708 1.00 0.00 O ATOM 482 CB GLN A 33 5.631 -0.874 0.616 1.00 0.00 C ATOM 483 CG GLN A 33 5.620 0.467 1.333 1.00 0.00 C ATOM 484 CD GLN A 33 4.742 1.491 0.640 1.00 0.00 C ATOM 485 OE1 GLN A 33 4.210 1.240 -0.442 1.00 0.00 O ATOM 486 NE2 GLN A 33 4.586 2.654 1.262 1.00 0.00 N ATOM 0 H GLN A 33 5.577 -3.354 0.109 1.00 0.00 H new ATOM 0 HA GLN A 33 4.329 -1.666 2.130 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.595 -1.356 0.780 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.538 -0.704 -0.457 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.269 0.325 2.355 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.639 0.850 1.396 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.046 2.819 2.157 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.007 3.382 0.844 1.00 0.00 H new ATOM 495 N VAL A 34 2.478 -0.538 0.785 1.00 0.00 N ATOM 496 CA VAL A 34 1.227 -0.151 0.144 1.00 0.00 C ATOM 497 C VAL A 34 1.112 1.366 0.035 1.00 0.00 C ATOM 498 O VAL A 34 1.374 2.090 0.996 1.00 0.00 O ATOM 499 CB VAL A 34 0.009 -0.693 0.915 1.00 0.00 C ATOM 500 CG1 VAL A 34 -1.285 -0.251 0.250 1.00 0.00 C ATOM 501 CG2 VAL A 34 0.076 -2.209 1.016 1.00 0.00 C ATOM 0 H VAL A 34 2.709 0.002 1.619 1.00 0.00 H new ATOM 0 HA VAL A 34 1.236 -0.585 -0.856 1.00 0.00 H new ATOM 0 HB VAL A 34 0.028 -0.283 1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.134 -0.644 0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.333 0.838 0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.317 -0.630 -0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.792 -2.576 1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.082 -2.640 0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.986 -2.499 1.542 1.00 0.00 H new ATOM 511 N THR A 35 0.717 1.841 -1.142 1.00 0.00 N ATOM 512 CA THR A 35 0.567 3.272 -1.377 1.00 0.00 C ATOM 513 C THR A 35 -0.730 3.574 -2.118 1.00 0.00 C ATOM 514 O THR A 35 -1.092 2.876 -3.065 1.00 0.00 O ATOM 515 CB THR A 35 1.751 3.835 -2.186 1.00 0.00 C ATOM 516 OG1 THR A 35 2.957 3.149 -1.831 1.00 0.00 O ATOM 517 CG2 THR A 35 1.917 5.326 -1.935 1.00 0.00 C ATOM 0 H THR A 35 0.495 1.256 -1.947 1.00 0.00 H new ATOM 0 HA THR A 35 0.544 3.753 -0.399 1.00 0.00 H new ATOM 0 HB THR A 35 1.545 3.682 -3.245 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.020 3.082 -0.855 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.759 5.701 -2.517 1.00 0.00 H new ATOM 0 HG22 THR A 35 1.008 5.849 -2.233 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.103 5.498 -0.875 1.00 0.00 H new ATOM 525 N TRP A 36 -1.425 4.619 -1.683 1.00 0.00 N ATOM 526 CA TRP A 36 -2.682 5.014 -2.307 1.00 0.00 C ATOM 527 C TRP A 36 -2.858 6.528 -2.267 1.00 0.00 C ATOM 528 O TRP A 36 -2.334 7.201 -1.379 1.00 0.00 O ATOM 529 CB TRP A 36 -3.859 4.333 -1.606 1.00 0.00 C ATOM 530 CG TRP A 36 -4.072 4.812 -0.202 1.00 0.00 C ATOM 531 CD1 TRP A 36 -4.767 5.920 0.190 1.00 0.00 C ATOM 532 CD2 TRP A 36 -3.583 4.198 0.996 1.00 0.00 C ATOM 533 NE1 TRP A 36 -4.741 6.032 1.559 1.00 0.00 N ATOM 534 CE2 TRP A 36 -4.021 4.988 2.077 1.00 0.00 C ATOM 535 CE3 TRP A 36 -2.820 3.058 1.261 1.00 0.00 C ATOM 536 CZ2 TRP A 36 -3.719 4.672 3.399 1.00 0.00 C ATOM 537 CZ3 TRP A 36 -2.521 2.746 2.573 1.00 0.00 C ATOM 538 CH2 TRP A 36 -2.970 3.550 3.629 1.00 0.00 C ATOM 0 H TRP A 36 -1.139 5.208 -0.901 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.656 4.698 -3.350 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.767 4.508 -2.183 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.691 3.256 -1.593 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.264 6.608 -0.478 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.186 6.772 2.102 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.470 2.431 0.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -4.064 5.291 4.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.931 1.867 2.788 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.720 3.279 4.644 1.00 0.00 H new ATOM 549 N THR A 37 -3.599 7.060 -3.235 1.00 0.00 N ATOM 550 CA THR A 37 -3.842 8.495 -3.310 1.00 0.00 C ATOM 551 C THR A 37 -5.336 8.798 -3.335 1.00 0.00 C ATOM 552 O THR A 37 -6.114 8.083 -3.966 1.00 0.00 O ATOM 553 CB THR A 37 -3.183 9.111 -4.558 1.00 0.00 C ATOM 554 OG1 THR A 37 -3.683 8.476 -5.740 1.00 0.00 O ATOM 555 CG2 THR A 37 -1.670 8.966 -4.499 1.00 0.00 C ATOM 0 H THR A 37 -4.041 6.518 -3.978 1.00 0.00 H new ATOM 0 HA THR A 37 -3.399 8.939 -2.418 1.00 0.00 H new ATOM 0 HB THR A 37 -3.429 10.173 -4.585 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.980 7.919 -6.134 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.227 9.408 -5.391 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.290 9.476 -3.614 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.407 7.909 -4.449 1.00 0.00 H new ATOM 563 N VAL A 38 -5.730 9.865 -2.647 1.00 0.00 N ATOM 564 CA VAL A 38 -7.131 10.264 -2.592 1.00 0.00 C ATOM 565 C VAL A 38 -7.344 11.615 -3.266 1.00 0.00 C ATOM 566 O VAL A 38 -6.516 12.518 -3.144 1.00 0.00 O ATOM 567 CB VAL A 38 -7.636 10.342 -1.139 1.00 0.00 C ATOM 568 CG1 VAL A 38 -7.445 9.007 -0.435 1.00 0.00 C ATOM 569 CG2 VAL A 38 -6.926 11.457 -0.387 1.00 0.00 C ATOM 0 H VAL A 38 -5.099 10.468 -2.120 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.699 9.501 -3.125 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.702 10.568 -1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.807 9.081 0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.004 8.234 -0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.386 8.748 -0.428 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.295 11.497 0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.853 11.264 -0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.120 12.409 -0.880 1.00 0.00 H new ATOM 579 N ASP A 39 -8.459 11.747 -3.975 1.00 0.00 N ATOM 580 CA ASP A 39 -8.783 12.990 -4.667 1.00 0.00 C ATOM 581 C ASP A 39 -9.288 14.043 -3.686 1.00 0.00 C ATOM 582 O ASP A 39 -8.851 15.194 -3.716 1.00 0.00 O ATOM 583 CB ASP A 39 -9.834 12.737 -5.749 1.00 0.00 C ATOM 584 CG ASP A 39 -9.814 13.795 -6.834 1.00 0.00 C ATOM 585 OD1 ASP A 39 -10.514 14.818 -6.679 1.00 0.00 O ATOM 586 OD2 ASP A 39 -9.098 13.602 -7.839 1.00 0.00 O ATOM 0 H ASP A 39 -9.154 11.009 -4.086 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.873 13.364 -5.136 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.662 11.758 -6.197 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.823 12.709 -5.291 1.00 0.00 H new ATOM 591 N ARG A 40 -10.211 13.641 -2.818 1.00 0.00 N ATOM 592 CA ARG A 40 -10.777 14.551 -1.829 1.00 0.00 C ATOM 593 C ARG A 40 -10.587 14.005 -0.417 1.00 0.00 C ATOM 594 O ARG A 40 -11.476 13.355 0.132 1.00 0.00 O ATOM 595 CB ARG A 40 -12.265 14.775 -2.105 1.00 0.00 C ATOM 596 CG ARG A 40 -12.540 15.491 -3.417 1.00 0.00 C ATOM 597 CD ARG A 40 -13.919 15.150 -3.960 1.00 0.00 C ATOM 598 NE ARG A 40 -14.151 15.740 -5.275 1.00 0.00 N ATOM 599 CZ ARG A 40 -14.496 17.010 -5.460 1.00 0.00 C ATOM 600 NH1 ARG A 40 -14.646 17.818 -4.420 1.00 0.00 N ATOM 601 NH2 ARG A 40 -14.689 17.474 -6.688 1.00 0.00 N ATOM 0 H ARG A 40 -10.583 12.692 -2.780 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.253 15.504 -1.905 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.773 13.811 -2.114 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.694 15.355 -1.288 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.463 16.568 -3.268 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.781 15.215 -4.149 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.025 14.067 -4.025 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.680 15.504 -3.265 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.042 15.145 -6.096 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.497 17.466 -3.475 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.911 18.792 -4.565 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.573 16.856 -7.491 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.954 18.449 -6.829 1.00 0.00 H new ATOM 615 N GLN A 41 -9.423 14.275 0.164 1.00 0.00 N ATOM 616 CA GLN A 41 -9.116 13.810 1.512 1.00 0.00 C ATOM 617 C GLN A 41 -10.243 14.160 2.478 1.00 0.00 C ATOM 618 O GLN A 41 -10.456 15.321 2.827 1.00 0.00 O ATOM 619 CB GLN A 41 -7.802 14.422 1.999 1.00 0.00 C ATOM 620 CG GLN A 41 -7.294 13.818 3.298 1.00 0.00 C ATOM 621 CD GLN A 41 -6.286 14.707 4.000 1.00 0.00 C ATOM 622 OE1 GLN A 41 -5.112 14.356 4.124 1.00 0.00 O ATOM 623 NE2 GLN A 41 -6.739 15.866 4.464 1.00 0.00 N ATOM 0 H GLN A 41 -8.677 14.813 -0.277 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.013 12.725 1.480 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.043 14.294 1.227 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.939 15.495 2.136 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.138 13.636 3.964 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.837 12.851 3.090 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.720 16.117 4.339 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.106 16.505 4.945 1.00 0.00 H new ATOM 632 N PRO A 42 -10.984 13.133 2.921 1.00 0.00 N ATOM 633 CA PRO A 42 -12.102 13.308 3.853 1.00 0.00 C ATOM 634 C PRO A 42 -11.635 13.702 5.250 1.00 0.00 C ATOM 635 O PRO A 42 -10.660 13.156 5.765 1.00 0.00 O ATOM 636 CB PRO A 42 -12.761 11.927 3.879 1.00 0.00 C ATOM 637 CG PRO A 42 -11.671 10.980 3.510 1.00 0.00 C ATOM 638 CD PRO A 42 -10.787 11.723 2.547 1.00 0.00 C ATOM 0 HA PRO A 42 -12.772 14.109 3.541 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -13.166 11.700 4.865 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.590 11.871 3.174 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.111 10.666 4.391 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.076 10.078 3.052 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.744 11.423 2.646 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.075 11.538 1.512 1.00 0.00 H new ATOM 646 N GLN A 43 -12.338 14.653 5.858 1.00 0.00 N ATOM 647 CA GLN A 43 -11.995 15.119 7.196 1.00 0.00 C ATOM 648 C GLN A 43 -12.634 14.235 8.261 1.00 0.00 C ATOM 649 O GLN A 43 -11.979 13.830 9.222 1.00 0.00 O ATOM 650 CB GLN A 43 -12.443 16.570 7.384 1.00 0.00 C ATOM 651 CG GLN A 43 -11.596 17.572 6.617 1.00 0.00 C ATOM 652 CD GLN A 43 -11.892 19.007 7.009 1.00 0.00 C ATOM 653 OE1 GLN A 43 -13.004 19.332 7.426 1.00 0.00 O ATOM 654 NE2 GLN A 43 -10.895 19.874 6.876 1.00 0.00 N ATOM 0 H GLN A 43 -13.148 15.115 5.445 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.912 15.063 7.306 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.481 16.665 7.066 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.411 16.817 8.445 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.541 17.361 6.794 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.771 17.448 5.548 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -9.990 19.560 6.526 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.035 20.854 7.124 1.00 0.00 H new ATOM 663 N PHE A 44 -13.917 13.939 8.086 1.00 0.00 N ATOM 664 CA PHE A 44 -14.646 13.103 9.033 1.00 0.00 C ATOM 665 C PHE A 44 -13.923 11.779 9.258 1.00 0.00 C ATOM 666 O PHE A 44 -13.953 11.222 10.356 1.00 0.00 O ATOM 667 CB PHE A 44 -16.067 12.843 8.528 1.00 0.00 C ATOM 668 CG PHE A 44 -16.125 11.889 7.370 1.00 0.00 C ATOM 669 CD1 PHE A 44 -15.682 12.275 6.115 1.00 0.00 C ATOM 670 CD2 PHE A 44 -16.623 10.607 7.535 1.00 0.00 C ATOM 671 CE1 PHE A 44 -15.736 11.399 5.047 1.00 0.00 C ATOM 672 CE2 PHE A 44 -16.679 9.727 6.471 1.00 0.00 C ATOM 673 CZ PHE A 44 -16.234 10.123 5.225 1.00 0.00 C ATOM 0 H PHE A 44 -14.474 14.266 7.297 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.698 13.634 9.983 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -16.668 12.446 9.346 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -16.518 13.790 8.231 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -15.290 13.271 5.970 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -16.972 10.291 8.507 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -15.389 11.712 4.073 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -17.070 8.731 6.614 1.00 0.00 H new ATOM 0 HZ PHE A 44 -16.275 9.437 4.392 1.00 0.00 H new ATOM 683 N ILE A 45 -13.275 11.280 8.211 1.00 0.00 N ATOM 684 CA ILE A 45 -12.544 10.022 8.294 1.00 0.00 C ATOM 685 C ILE A 45 -11.688 9.965 9.555 1.00 0.00 C ATOM 686 O ILE A 45 -11.441 10.987 10.195 1.00 0.00 O ATOM 687 CB ILE A 45 -11.640 9.813 7.064 1.00 0.00 C ATOM 688 CG1 ILE A 45 -11.397 8.321 6.830 1.00 0.00 C ATOM 689 CG2 ILE A 45 -10.321 10.549 7.245 1.00 0.00 C ATOM 690 CD1 ILE A 45 -10.783 8.013 5.482 1.00 0.00 C ATOM 0 H ILE A 45 -13.241 11.728 7.295 1.00 0.00 H new ATOM 0 HA ILE A 45 -13.289 9.227 8.327 1.00 0.00 H new ATOM 0 HB ILE A 45 -12.144 10.221 6.188 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.742 7.940 7.614 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.344 7.789 6.919 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.693 10.392 6.368 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.513 11.615 7.367 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.810 10.168 8.130 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.639 6.937 5.385 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.447 8.363 4.691 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.820 8.517 5.397 1.00 0.00 H new ATOM 702 N GLN A 46 -11.237 8.765 9.904 1.00 0.00 N ATOM 703 CA GLN A 46 -10.408 8.575 11.088 1.00 0.00 C ATOM 704 C GLN A 46 -9.031 8.040 10.708 1.00 0.00 C ATOM 705 O GLN A 46 -8.022 8.412 11.306 1.00 0.00 O ATOM 706 CB GLN A 46 -11.089 7.617 12.066 1.00 0.00 C ATOM 707 CG GLN A 46 -12.051 8.304 13.021 1.00 0.00 C ATOM 708 CD GLN A 46 -11.344 8.962 14.189 1.00 0.00 C ATOM 709 OE1 GLN A 46 -10.139 9.213 14.139 1.00 0.00 O ATOM 710 NE2 GLN A 46 -12.090 9.244 15.251 1.00 0.00 N ATOM 0 H GLN A 46 -11.432 7.910 9.384 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.281 9.544 11.570 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.631 6.859 11.501 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.325 7.098 12.644 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.622 9.056 12.477 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.766 7.573 13.399 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -13.085 9.019 15.250 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.668 9.686 16.068 1.00 0.00 H new ATOM 719 N GLY A 47 -8.997 7.162 9.710 1.00 0.00 N ATOM 720 CA GLY A 47 -7.740 6.589 9.268 1.00 0.00 C ATOM 721 C GLY A 47 -7.891 5.761 8.007 1.00 0.00 C ATOM 722 O GLY A 47 -8.438 6.231 7.009 1.00 0.00 O ATOM 0 H GLY A 47 -9.818 6.838 9.200 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.022 7.390 9.089 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.330 5.965 10.062 1.00 0.00 H new ATOM 726 N TYR A 48 -7.404 4.526 8.051 1.00 0.00 N ATOM 727 CA TYR A 48 -7.484 3.632 6.902 1.00 0.00 C ATOM 728 C TYR A 48 -7.274 2.181 7.325 1.00 0.00 C ATOM 729 O TYR A 48 -6.238 1.831 7.889 1.00 0.00 O ATOM 730 CB TYR A 48 -6.443 4.023 5.851 1.00 0.00 C ATOM 731 CG TYR A 48 -6.826 5.245 5.046 1.00 0.00 C ATOM 732 CD1 TYR A 48 -7.795 5.172 4.054 1.00 0.00 C ATOM 733 CD2 TYR A 48 -6.217 6.472 5.278 1.00 0.00 C ATOM 734 CE1 TYR A 48 -8.147 6.285 3.316 1.00 0.00 C ATOM 735 CE2 TYR A 48 -6.564 7.591 4.545 1.00 0.00 C ATOM 736 CZ TYR A 48 -7.529 7.492 3.565 1.00 0.00 C ATOM 737 OH TYR A 48 -7.876 8.604 2.833 1.00 0.00 O ATOM 0 H TYR A 48 -6.950 4.121 8.870 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.480 3.726 6.470 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.490 4.209 6.347 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.291 3.184 5.172 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.282 4.228 3.856 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.460 6.553 6.044 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.902 6.210 2.548 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.082 8.538 4.739 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.348 9.372 3.135 1.00 0.00 H new ATOM 747 N ARG A 49 -8.267 1.342 7.047 1.00 0.00 N ATOM 748 CA ARG A 49 -8.193 -0.071 7.399 1.00 0.00 C ATOM 749 C ARG A 49 -7.633 -0.891 6.240 1.00 0.00 C ATOM 750 O ARG A 49 -8.384 -1.436 5.431 1.00 0.00 O ATOM 751 CB ARG A 49 -9.577 -0.595 7.786 1.00 0.00 C ATOM 752 CG ARG A 49 -9.536 -1.819 8.686 1.00 0.00 C ATOM 753 CD ARG A 49 -9.515 -1.428 10.156 1.00 0.00 C ATOM 754 NE ARG A 49 -9.963 -2.519 11.018 1.00 0.00 N ATOM 755 CZ ARG A 49 -10.175 -2.384 12.323 1.00 0.00 C ATOM 756 NH1 ARG A 49 -9.981 -1.213 12.912 1.00 0.00 N ATOM 757 NH2 ARG A 49 -10.583 -3.423 13.040 1.00 0.00 N ATOM 0 H ARG A 49 -9.131 1.616 6.580 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.522 -0.173 8.252 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.128 0.198 8.291 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.130 -0.840 6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.404 -2.447 8.488 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.653 -2.414 8.454 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.504 -1.134 10.439 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.154 -0.559 10.309 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.122 -3.434 10.595 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.668 -0.412 12.364 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.145 -1.113 13.914 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.734 -4.326 12.590 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.746 -3.319 14.042 1.00 0.00 H new ATOM 771 N VAL A 50 -6.308 -0.974 6.167 1.00 0.00 N ATOM 772 CA VAL A 50 -5.647 -1.727 5.108 1.00 0.00 C ATOM 773 C VAL A 50 -5.853 -3.227 5.290 1.00 0.00 C ATOM 774 O VAL A 50 -5.103 -3.884 6.011 1.00 0.00 O ATOM 775 CB VAL A 50 -4.136 -1.429 5.067 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.466 -2.219 3.952 1.00 0.00 C ATOM 777 CG2 VAL A 50 -3.892 0.062 4.896 1.00 0.00 C ATOM 0 H VAL A 50 -5.672 -0.529 6.829 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.098 -1.412 4.167 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.696 -1.739 6.015 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.399 -1.996 3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.611 -3.286 4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.907 -1.942 2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.819 0.254 4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.345 0.400 3.964 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.337 0.602 5.732 1.00 0.00 H new ATOM 787 N MET A 51 -6.875 -3.762 4.629 1.00 0.00 N ATOM 788 CA MET A 51 -7.179 -5.186 4.717 1.00 0.00 C ATOM 789 C MET A 51 -6.322 -5.985 3.741 1.00 0.00 C ATOM 790 O MET A 51 -6.077 -5.551 2.615 1.00 0.00 O ATOM 791 CB MET A 51 -8.662 -5.430 4.430 1.00 0.00 C ATOM 792 CG MET A 51 -9.541 -5.352 5.668 1.00 0.00 C ATOM 793 SD MET A 51 -11.294 -5.535 5.288 1.00 0.00 S ATOM 794 CE MET A 51 -11.373 -7.279 4.886 1.00 0.00 C ATOM 0 H MET A 51 -7.506 -3.232 4.028 1.00 0.00 H new ATOM 0 HA MET A 51 -6.952 -5.520 5.730 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.008 -4.697 3.702 1.00 0.00 H new ATOM 0 HB3 MET A 51 -8.778 -6.413 3.973 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.242 -6.130 6.370 1.00 0.00 H new ATOM 0 HG3 MET A 51 -9.379 -4.395 6.164 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.778 -7.403 3.882 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.372 -7.708 4.929 1.00 0.00 H new ATOM 0 HE3 MET A 51 -12.017 -7.789 5.603 1.00 0.00 H new ATOM 804 N TYR A 52 -5.869 -7.155 4.180 1.00 0.00 N ATOM 805 CA TYR A 52 -5.037 -8.014 3.345 1.00 0.00 C ATOM 806 C TYR A 52 -5.192 -9.478 3.746 1.00 0.00 C ATOM 807 O TYR A 52 -5.609 -9.786 4.862 1.00 0.00 O ATOM 808 CB TYR A 52 -3.569 -7.597 3.452 1.00 0.00 C ATOM 809 CG TYR A 52 -3.001 -7.734 4.847 1.00 0.00 C ATOM 810 CD1 TYR A 52 -3.494 -6.970 5.897 1.00 0.00 C ATOM 811 CD2 TYR A 52 -1.971 -8.627 5.113 1.00 0.00 C ATOM 812 CE1 TYR A 52 -2.977 -7.092 7.173 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.449 -8.756 6.386 1.00 0.00 C ATOM 814 CZ TYR A 52 -1.955 -7.986 7.412 1.00 0.00 C ATOM 815 OH TYR A 52 -1.438 -8.111 8.681 1.00 0.00 O ATOM 0 H TYR A 52 -6.064 -7.530 5.108 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.365 -7.902 2.312 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.977 -8.203 2.766 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.470 -6.561 3.128 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.295 -6.269 5.713 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.571 -9.231 4.312 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.371 -6.490 7.978 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.649 -9.456 6.576 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.481 -9.049 8.961 1.00 0.00 H new ATOM 825 N ARG A 53 -4.852 -10.375 2.827 1.00 0.00 N ATOM 826 CA ARG A 53 -4.953 -11.807 3.083 1.00 0.00 C ATOM 827 C ARG A 53 -4.327 -12.608 1.945 1.00 0.00 C ATOM 828 O ARG A 53 -4.023 -12.063 0.884 1.00 0.00 O ATOM 829 CB ARG A 53 -6.417 -12.212 3.262 1.00 0.00 C ATOM 830 CG ARG A 53 -7.206 -12.234 1.963 1.00 0.00 C ATOM 831 CD ARG A 53 -8.324 -13.264 2.007 1.00 0.00 C ATOM 832 NE ARG A 53 -8.814 -13.598 0.672 1.00 0.00 N ATOM 833 CZ ARG A 53 -10.012 -14.122 0.439 1.00 0.00 C ATOM 834 NH1 ARG A 53 -10.838 -14.371 1.446 1.00 0.00 N ATOM 835 NH2 ARG A 53 -10.386 -14.399 -0.803 1.00 0.00 N ATOM 0 H ARG A 53 -4.504 -10.136 1.898 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.408 -12.027 4.001 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.458 -13.201 3.719 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.894 -11.520 3.956 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.627 -11.246 1.775 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.536 -12.458 1.133 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.964 -14.168 2.498 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.147 -12.880 2.610 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.203 -13.419 -0.125 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.554 -14.160 2.403 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.757 -14.773 1.264 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.753 -14.210 -1.580 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.306 -14.801 -0.981 1.00 0.00 H new ATOM 849 N GLN A 54 -4.139 -13.904 2.173 1.00 0.00 N ATOM 850 CA GLN A 54 -3.549 -14.779 1.168 1.00 0.00 C ATOM 851 C GLN A 54 -4.591 -15.207 0.139 1.00 0.00 C ATOM 852 O GLN A 54 -5.783 -15.276 0.439 1.00 0.00 O ATOM 853 CB GLN A 54 -2.934 -16.012 1.832 1.00 0.00 C ATOM 854 CG GLN A 54 -2.026 -16.810 0.910 1.00 0.00 C ATOM 855 CD GLN A 54 -1.557 -18.109 1.534 1.00 0.00 C ATOM 856 OE1 GLN A 54 -2.248 -19.126 1.471 1.00 0.00 O ATOM 857 NE2 GLN A 54 -0.377 -18.083 2.142 1.00 0.00 N ATOM 0 H GLN A 54 -4.387 -14.371 3.045 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.765 -14.223 0.654 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.364 -15.697 2.706 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.735 -16.659 2.189 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.557 -17.027 -0.017 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.159 -16.204 0.647 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.163 -17.218 2.171 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.010 -18.928 2.580 1.00 0.00 H new ATOM 866 N THR A 55 -4.134 -15.492 -1.076 1.00 0.00 N ATOM 867 CA THR A 55 -5.026 -15.912 -2.149 1.00 0.00 C ATOM 868 C THR A 55 -4.924 -17.413 -2.393 1.00 0.00 C ATOM 869 O THR A 55 -5.929 -18.080 -2.640 1.00 0.00 O ATOM 870 CB THR A 55 -4.715 -15.167 -3.462 1.00 0.00 C ATOM 871 OG1 THR A 55 -3.334 -15.332 -3.802 1.00 0.00 O ATOM 872 CG2 THR A 55 -5.038 -13.686 -3.334 1.00 0.00 C ATOM 0 H THR A 55 -3.151 -15.440 -1.342 1.00 0.00 H new ATOM 0 HA THR A 55 -6.040 -15.667 -1.832 1.00 0.00 H new ATOM 0 HB THR A 55 -5.337 -15.590 -4.251 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.788 -14.732 -3.252 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.810 -13.181 -4.273 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.096 -13.563 -3.103 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.439 -13.251 -2.534 1.00 0.00 H new ATOM 880 N SER A 56 -3.706 -17.938 -2.322 1.00 0.00 N ATOM 881 CA SER A 56 -3.473 -19.362 -2.538 1.00 0.00 C ATOM 882 C SER A 56 -2.544 -19.929 -1.469 1.00 0.00 C ATOM 883 O SER A 56 -1.697 -19.220 -0.928 1.00 0.00 O ATOM 884 CB SER A 56 -2.875 -19.597 -3.927 1.00 0.00 C ATOM 885 OG SER A 56 -3.676 -19.003 -4.934 1.00 0.00 O ATOM 0 H SER A 56 -2.864 -17.399 -2.117 1.00 0.00 H new ATOM 0 HA SER A 56 -4.432 -19.876 -2.471 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.868 -19.183 -3.968 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.787 -20.668 -4.112 1.00 0.00 H new ATOM 0 HG SER A 56 -3.272 -19.166 -5.812 1.00 0.00 H new ATOM 891 N GLY A 57 -2.710 -21.214 -1.171 1.00 0.00 N ATOM 892 CA GLY A 57 -1.881 -21.856 -0.168 1.00 0.00 C ATOM 893 C GLY A 57 -2.692 -22.415 0.984 1.00 0.00 C ATOM 894 O GLY A 57 -3.771 -22.972 0.780 1.00 0.00 O ATOM 0 H GLY A 57 -3.404 -21.822 -1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.313 -22.662 -0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.158 -21.136 0.216 1.00 0.00 H new ATOM 898 N LEU A 58 -2.171 -22.269 2.197 1.00 0.00 N ATOM 899 CA LEU A 58 -2.854 -22.766 3.387 1.00 0.00 C ATOM 900 C LEU A 58 -3.745 -21.687 3.994 1.00 0.00 C ATOM 901 O LEU A 58 -4.916 -21.928 4.284 1.00 0.00 O ATOM 902 CB LEU A 58 -1.834 -23.242 4.423 1.00 0.00 C ATOM 903 CG LEU A 58 -2.311 -24.333 5.382 1.00 0.00 C ATOM 904 CD1 LEU A 58 -3.333 -23.774 6.360 1.00 0.00 C ATOM 905 CD2 LEU A 58 -2.895 -25.506 4.608 1.00 0.00 C ATOM 0 H LEU A 58 -1.279 -21.811 2.383 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.482 -23.606 3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.954 -23.610 3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.516 -22.382 5.012 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.453 -24.691 5.951 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.661 -24.565 7.035 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.881 -22.968 6.938 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.191 -23.388 5.809 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.229 -26.273 5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.741 -25.164 4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.133 -25.923 3.949 1.00 0.00 H new ATOM 917 N GLN A 59 -3.182 -20.497 4.180 1.00 0.00 N ATOM 918 CA GLN A 59 -3.927 -19.381 4.751 1.00 0.00 C ATOM 919 C GLN A 59 -4.731 -18.657 3.676 1.00 0.00 C ATOM 920 O GLN A 59 -5.080 -17.487 3.831 1.00 0.00 O ATOM 921 CB GLN A 59 -2.973 -18.402 5.438 1.00 0.00 C ATOM 922 CG GLN A 59 -2.173 -19.025 6.570 1.00 0.00 C ATOM 923 CD GLN A 59 -0.870 -19.638 6.096 1.00 0.00 C ATOM 924 OE1 GLN A 59 -0.418 -19.378 4.981 1.00 0.00 O ATOM 925 NE2 GLN A 59 -0.259 -20.458 6.943 1.00 0.00 N ATOM 0 H GLN A 59 -2.213 -20.281 3.944 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.621 -19.780 5.491 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.284 -17.999 4.696 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.547 -17.562 5.829 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.960 -18.264 7.321 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.775 -19.792 7.056 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.670 -20.645 7.858 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.621 -20.901 6.679 1.00 0.00 H new ATOM 934 N ALA A 60 -5.021 -19.361 2.587 1.00 0.00 N ATOM 935 CA ALA A 60 -5.785 -18.785 1.487 1.00 0.00 C ATOM 936 C ALA A 60 -7.247 -18.592 1.876 1.00 0.00 C ATOM 937 O ALA A 60 -7.852 -19.458 2.509 1.00 0.00 O ATOM 938 CB ALA A 60 -5.678 -19.667 0.251 1.00 0.00 C ATOM 0 H ALA A 60 -4.739 -20.330 2.443 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.364 -17.806 1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.253 -19.225 -0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.633 -19.750 -0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.071 -20.658 0.476 1.00 0.00 H new ATOM 944 N THR A 61 -7.810 -17.450 1.494 1.00 0.00 N ATOM 945 CA THR A 61 -9.201 -17.143 1.804 1.00 0.00 C ATOM 946 C THR A 61 -9.626 -17.787 3.119 1.00 0.00 C ATOM 947 O THR A 61 -10.752 -18.266 3.251 1.00 0.00 O ATOM 948 CB THR A 61 -10.145 -17.618 0.684 1.00 0.00 C ATOM 949 OG1 THR A 61 -11.443 -17.039 0.859 1.00 0.00 O ATOM 950 CG2 THR A 61 -10.258 -19.135 0.678 1.00 0.00 C ATOM 0 H THR A 61 -7.324 -16.722 0.970 1.00 0.00 H new ATOM 0 HA THR A 61 -9.273 -16.059 1.893 1.00 0.00 H new ATOM 0 HB THR A 61 -9.730 -17.297 -0.271 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.775 -17.246 1.757 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.930 -19.447 -0.122 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.273 -19.573 0.515 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.652 -19.474 1.636 1.00 0.00 H new ATOM 958 N SER A 62 -8.718 -17.796 4.089 1.00 0.00 N ATOM 959 CA SER A 62 -8.998 -18.385 5.394 1.00 0.00 C ATOM 960 C SER A 62 -9.510 -17.328 6.368 1.00 0.00 C ATOM 961 O SER A 62 -10.562 -17.493 6.985 1.00 0.00 O ATOM 962 CB SER A 62 -7.741 -19.049 5.958 1.00 0.00 C ATOM 963 OG SER A 62 -8.050 -19.849 7.086 1.00 0.00 O ATOM 0 H SER A 62 -7.782 -17.402 3.996 1.00 0.00 H new ATOM 0 HA SER A 62 -9.772 -19.141 5.265 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.274 -19.664 5.189 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.016 -18.284 6.238 1.00 0.00 H new ATOM 0 HG SER A 62 -7.230 -20.264 7.427 1.00 0.00 H new ATOM 969 N SER A 63 -8.756 -16.241 6.501 1.00 0.00 N ATOM 970 CA SER A 63 -9.130 -15.158 7.403 1.00 0.00 C ATOM 971 C SER A 63 -8.520 -13.836 6.946 1.00 0.00 C ATOM 972 O SER A 63 -7.309 -13.733 6.750 1.00 0.00 O ATOM 973 CB SER A 63 -8.677 -15.475 8.830 1.00 0.00 C ATOM 974 OG SER A 63 -9.411 -16.561 9.369 1.00 0.00 O ATOM 0 H SER A 63 -7.883 -16.087 5.996 1.00 0.00 H new ATOM 0 HA SER A 63 -10.216 -15.063 7.387 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.614 -15.714 8.833 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.808 -14.595 9.460 1.00 0.00 H new ATOM 0 HG SER A 63 -10.005 -16.928 8.681 1.00 0.00 H new ATOM 980 N TRP A 64 -9.368 -12.828 6.779 1.00 0.00 N ATOM 981 CA TRP A 64 -8.914 -11.511 6.345 1.00 0.00 C ATOM 982 C TRP A 64 -8.267 -10.751 7.498 1.00 0.00 C ATOM 983 O TRP A 64 -8.696 -10.864 8.645 1.00 0.00 O ATOM 984 CB TRP A 64 -10.086 -10.706 5.781 1.00 0.00 C ATOM 985 CG TRP A 64 -10.280 -10.893 4.307 1.00 0.00 C ATOM 986 CD1 TRP A 64 -11.162 -11.740 3.698 1.00 0.00 C ATOM 987 CD2 TRP A 64 -9.576 -10.220 3.257 1.00 0.00 C ATOM 988 NE1 TRP A 64 -11.048 -11.634 2.332 1.00 0.00 N ATOM 989 CE2 TRP A 64 -10.083 -10.708 2.037 1.00 0.00 C ATOM 990 CE3 TRP A 64 -8.569 -9.252 3.230 1.00 0.00 C ATOM 991 CZ2 TRP A 64 -9.614 -10.260 0.805 1.00 0.00 C ATOM 992 CZ3 TRP A 64 -8.105 -8.809 2.006 1.00 0.00 C ATOM 993 CH2 TRP A 64 -8.627 -9.312 0.807 1.00 0.00 C ATOM 0 H TRP A 64 -10.373 -12.897 6.937 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.168 -11.650 5.563 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.000 -10.996 6.300 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -9.924 -9.648 5.988 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -11.848 -12.396 4.214 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -11.594 -12.160 1.649 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.161 -8.857 4.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -10.015 -10.647 -0.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -7.326 -8.062 1.973 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -8.243 -8.945 -0.133 1.00 0.00 H new ATOM 1004 N GLN A 65 -7.232 -9.978 7.184 1.00 0.00 N ATOM 1005 CA GLN A 65 -6.526 -9.200 8.195 1.00 0.00 C ATOM 1006 C GLN A 65 -6.940 -7.733 8.140 1.00 0.00 C ATOM 1007 O GLN A 65 -7.509 -7.276 7.151 1.00 0.00 O ATOM 1008 CB GLN A 65 -5.014 -9.324 8.001 1.00 0.00 C ATOM 1009 CG GLN A 65 -4.490 -10.738 8.191 1.00 0.00 C ATOM 1010 CD GLN A 65 -3.129 -10.947 7.556 1.00 0.00 C ATOM 1011 OE1 GLN A 65 -2.098 -10.828 8.219 1.00 0.00 O ATOM 1012 NE2 GLN A 65 -3.120 -11.260 6.266 1.00 0.00 N ATOM 0 H GLN A 65 -6.864 -9.874 6.238 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.792 -9.597 9.175 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.755 -8.981 6.999 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.510 -8.661 8.705 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.427 -10.958 9.257 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.200 -11.445 7.761 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.999 -11.348 5.756 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.234 -11.413 5.784 1.00 0.00 H new ATOM 1021 N ASN A 66 -6.648 -7.001 9.211 1.00 0.00 N ATOM 1022 CA ASN A 66 -6.990 -5.585 9.284 1.00 0.00 C ATOM 1023 C ASN A 66 -5.861 -4.785 9.927 1.00 0.00 C ATOM 1024 O ASN A 66 -5.482 -5.035 11.072 1.00 0.00 O ATOM 1025 CB ASN A 66 -8.284 -5.393 10.079 1.00 0.00 C ATOM 1026 CG ASN A 66 -9.223 -6.576 9.951 1.00 0.00 C ATOM 1027 OD1 ASN A 66 -9.269 -7.443 10.824 1.00 0.00 O ATOM 1028 ND2 ASN A 66 -9.977 -6.618 8.859 1.00 0.00 N ATOM 0 H ASN A 66 -6.176 -7.365 10.039 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.137 -5.219 8.268 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.041 -5.237 11.130 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.790 -4.492 9.732 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.627 -7.391 8.718 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.906 -5.877 8.161 1.00 0.00 H new ATOM 1035 N LEU A 67 -5.329 -3.822 9.183 1.00 0.00 N ATOM 1036 CA LEU A 67 -4.243 -2.984 9.680 1.00 0.00 C ATOM 1037 C LEU A 67 -4.698 -1.536 9.831 1.00 0.00 C ATOM 1038 O LEU A 67 -4.703 -0.773 8.865 1.00 0.00 O ATOM 1039 CB LEU A 67 -3.042 -3.057 8.735 1.00 0.00 C ATOM 1040 CG LEU A 67 -1.769 -2.358 9.212 1.00 0.00 C ATOM 1041 CD1 LEU A 67 -1.024 -3.229 10.212 1.00 0.00 C ATOM 1042 CD2 LEU A 67 -0.874 -2.015 8.030 1.00 0.00 C ATOM 0 H LEU A 67 -5.631 -3.602 8.234 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.949 -3.358 10.661 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.810 -4.107 8.555 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.332 -2.626 7.777 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.052 -1.430 9.709 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.121 -2.715 10.540 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.664 -3.424 11.073 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.753 -4.174 9.741 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.027 -1.518 8.388 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.600 -2.929 7.504 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.408 -1.352 7.350 1.00 0.00 H new ATOM 1054 N ASP A 68 -5.078 -1.165 11.049 1.00 0.00 N ATOM 1055 CA ASP A 68 -5.532 0.193 11.327 1.00 0.00 C ATOM 1056 C ASP A 68 -4.360 1.170 11.320 1.00 0.00 C ATOM 1057 O ASP A 68 -3.416 1.028 12.098 1.00 0.00 O ATOM 1058 CB ASP A 68 -6.249 0.247 12.677 1.00 0.00 C ATOM 1059 CG ASP A 68 -5.559 -0.594 13.733 1.00 0.00 C ATOM 1060 OD1 ASP A 68 -4.395 -0.290 14.067 1.00 0.00 O ATOM 1061 OD2 ASP A 68 -6.184 -1.556 14.226 1.00 0.00 O ATOM 0 H ASP A 68 -5.081 -1.785 11.859 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.229 0.485 10.542 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.300 1.281 13.017 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.275 -0.099 12.554 1.00 0.00 H new ATOM 1066 N ALA A 69 -4.427 2.160 10.437 1.00 0.00 N ATOM 1067 CA ALA A 69 -3.372 3.161 10.329 1.00 0.00 C ATOM 1068 C ALA A 69 -3.444 4.160 11.479 1.00 0.00 C ATOM 1069 O ALA A 69 -2.419 4.635 11.968 1.00 0.00 O ATOM 1070 CB ALA A 69 -3.465 3.884 8.994 1.00 0.00 C ATOM 0 H ALA A 69 -5.201 2.291 9.785 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.412 2.648 10.386 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.671 4.628 8.927 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.357 3.165 8.182 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.433 4.378 8.914 1.00 0.00 H new ATOM 1076 N LYS A 70 -4.662 4.475 11.908 1.00 0.00 N ATOM 1077 CA LYS A 70 -4.868 5.417 13.001 1.00 0.00 C ATOM 1078 C LYS A 70 -4.323 6.796 12.642 1.00 0.00 C ATOM 1079 O LYS A 70 -3.969 7.582 13.520 1.00 0.00 O ATOM 1080 CB LYS A 70 -4.194 4.906 14.276 1.00 0.00 C ATOM 1081 CG LYS A 70 -4.874 3.688 14.878 1.00 0.00 C ATOM 1082 CD LYS A 70 -4.224 3.277 16.188 1.00 0.00 C ATOM 1083 CE LYS A 70 -5.114 2.332 16.979 1.00 0.00 C ATOM 1084 NZ LYS A 70 -5.081 0.948 16.430 1.00 0.00 N ATOM 0 H LYS A 70 -5.521 4.091 11.515 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.941 5.504 13.174 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.156 4.659 14.054 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.180 5.707 15.016 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.929 3.905 15.047 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.828 2.859 14.172 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.268 2.794 15.985 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.013 4.164 16.785 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.793 2.317 18.020 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.139 2.703 16.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.049 0.573 16.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.662 0.962 15.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.508 0.342 17.051 1.00 0.00 H new ATOM 1098 N VAL A 71 -4.258 7.082 11.346 1.00 0.00 N ATOM 1099 CA VAL A 71 -3.758 8.367 10.871 1.00 0.00 C ATOM 1100 C VAL A 71 -4.344 8.714 9.507 1.00 0.00 C ATOM 1101 O VAL A 71 -4.012 8.106 8.488 1.00 0.00 O ATOM 1102 CB VAL A 71 -2.221 8.370 10.773 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.704 9.778 10.523 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -1.607 7.784 12.036 1.00 0.00 C ATOM 0 H VAL A 71 -4.545 6.441 10.606 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.069 9.116 11.599 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.926 7.746 9.929 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.616 9.760 10.457 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.118 10.157 9.589 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.007 10.428 11.344 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.520 7.793 11.950 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.908 8.380 12.897 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.952 6.758 12.166 1.00 0.00 H new ATOM 1114 N PRO A 72 -5.235 9.716 9.483 1.00 0.00 N ATOM 1115 CA PRO A 72 -5.885 10.168 8.249 1.00 0.00 C ATOM 1116 C PRO A 72 -4.916 10.878 7.310 1.00 0.00 C ATOM 1117 O PRO A 72 -5.282 11.265 6.199 1.00 0.00 O ATOM 1118 CB PRO A 72 -6.955 11.142 8.749 1.00 0.00 C ATOM 1119 CG PRO A 72 -6.440 11.633 10.057 1.00 0.00 C ATOM 1120 CD PRO A 72 -5.677 10.485 10.659 1.00 0.00 C ATOM 0 HA PRO A 72 -6.284 9.335 7.669 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.101 11.964 8.048 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.919 10.646 8.864 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.796 12.502 9.921 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.258 11.942 10.708 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.832 10.832 11.253 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.306 9.886 11.318 1.00 0.00 H new ATOM 1128 N THR A 73 -3.677 11.046 7.761 1.00 0.00 N ATOM 1129 CA THR A 73 -2.655 11.709 6.962 1.00 0.00 C ATOM 1130 C THR A 73 -1.671 10.701 6.380 1.00 0.00 C ATOM 1131 O THR A 73 -0.798 11.057 5.589 1.00 0.00 O ATOM 1132 CB THR A 73 -1.878 12.747 7.793 1.00 0.00 C ATOM 1133 OG1 THR A 73 -1.249 12.109 8.910 1.00 0.00 O ATOM 1134 CG2 THR A 73 -2.804 13.848 8.286 1.00 0.00 C ATOM 0 H THR A 73 -3.357 10.731 8.677 1.00 0.00 H new ATOM 0 HA THR A 73 -3.172 12.219 6.149 1.00 0.00 H new ATOM 0 HB THR A 73 -1.116 13.194 7.155 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.756 12.776 9.432 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.233 14.569 8.870 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.258 14.351 7.432 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.586 13.414 8.909 1.00 0.00 H new ATOM 1142 N GLU A 74 -1.819 9.440 6.776 1.00 0.00 N ATOM 1143 CA GLU A 74 -0.942 8.380 6.293 1.00 0.00 C ATOM 1144 C GLU A 74 -1.583 7.632 5.129 1.00 0.00 C ATOM 1145 O GLU A 74 -2.502 6.835 5.320 1.00 0.00 O ATOM 1146 CB GLU A 74 -0.615 7.403 7.424 1.00 0.00 C ATOM 1147 CG GLU A 74 0.530 7.860 8.312 1.00 0.00 C ATOM 1148 CD GLU A 74 1.297 6.701 8.918 1.00 0.00 C ATOM 1149 OE1 GLU A 74 1.862 5.897 8.148 1.00 0.00 O ATOM 1150 OE2 GLU A 74 1.333 6.599 10.162 1.00 0.00 O ATOM 0 H GLU A 74 -2.537 9.128 7.429 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.018 8.840 5.942 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.505 7.260 8.038 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.365 6.433 6.994 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.213 8.477 7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.137 8.488 9.111 1.00 0.00 H new ATOM 1157 N ARG A 75 -1.092 7.894 3.922 1.00 0.00 N ATOM 1158 CA ARG A 75 -1.618 7.247 2.726 1.00 0.00 C ATOM 1159 C ARG A 75 -0.698 6.118 2.269 1.00 0.00 C ATOM 1160 O ARG A 75 -0.576 5.849 1.074 1.00 0.00 O ATOM 1161 CB ARG A 75 -1.788 8.269 1.600 1.00 0.00 C ATOM 1162 CG ARG A 75 -3.154 8.934 1.582 1.00 0.00 C ATOM 1163 CD ARG A 75 -3.169 10.200 2.424 1.00 0.00 C ATOM 1164 NE ARG A 75 -2.260 11.216 1.901 1.00 0.00 N ATOM 1165 CZ ARG A 75 -2.442 12.521 2.066 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -3.496 12.966 2.737 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -1.570 13.383 1.561 1.00 0.00 N ATOM 0 H ARG A 75 -0.331 8.550 3.747 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.591 6.822 2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.021 9.037 1.699 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.622 7.774 0.643 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.429 9.176 0.555 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.904 8.237 1.957 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.182 10.602 2.456 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.890 9.957 3.449 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.440 10.906 1.380 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.168 12.305 3.127 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.634 13.969 2.863 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.758 13.044 1.045 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.711 14.385 1.689 1.00 0.00 H new ATOM 1181 N SER A 76 -0.054 5.462 3.228 1.00 0.00 N ATOM 1182 CA SER A 76 0.859 4.366 2.924 1.00 0.00 C ATOM 1183 C SER A 76 1.129 3.524 4.168 1.00 0.00 C ATOM 1184 O SER A 76 1.636 4.024 5.171 1.00 0.00 O ATOM 1185 CB SER A 76 2.175 4.910 2.367 1.00 0.00 C ATOM 1186 OG SER A 76 2.843 5.712 3.325 1.00 0.00 O ATOM 0 H SER A 76 -0.147 5.670 4.222 1.00 0.00 H new ATOM 0 HA SER A 76 0.389 3.732 2.172 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.818 4.081 2.071 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.978 5.498 1.470 1.00 0.00 H new ATOM 0 HG SER A 76 2.574 5.437 4.226 1.00 0.00 H new ATOM 1192 N ALA A 77 0.786 2.242 4.092 1.00 0.00 N ATOM 1193 CA ALA A 77 0.993 1.329 5.210 1.00 0.00 C ATOM 1194 C ALA A 77 1.910 0.177 4.814 1.00 0.00 C ATOM 1195 O ALA A 77 2.173 -0.043 3.632 1.00 0.00 O ATOM 1196 CB ALA A 77 -0.342 0.796 5.710 1.00 0.00 C ATOM 0 H ALA A 77 0.364 1.812 3.269 1.00 0.00 H new ATOM 0 HA ALA A 77 1.475 1.883 6.016 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.173 0.116 6.545 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.965 1.627 6.040 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.846 0.263 4.904 1.00 0.00 H new ATOM 1202 N VAL A 78 2.394 -0.557 5.811 1.00 0.00 N ATOM 1203 CA VAL A 78 3.282 -1.687 5.567 1.00 0.00 C ATOM 1204 C VAL A 78 2.725 -2.966 6.183 1.00 0.00 C ATOM 1205 O VAL A 78 2.247 -2.964 7.318 1.00 0.00 O ATOM 1206 CB VAL A 78 4.690 -1.428 6.135 1.00 0.00 C ATOM 1207 CG1 VAL A 78 5.611 -2.601 5.835 1.00 0.00 C ATOM 1208 CG2 VAL A 78 5.261 -0.134 5.573 1.00 0.00 C ATOM 0 H VAL A 78 2.186 -0.389 6.795 1.00 0.00 H new ATOM 0 HA VAL A 78 3.351 -1.807 4.486 1.00 0.00 H new ATOM 0 HB VAL A 78 4.613 -1.325 7.217 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.601 -2.400 6.244 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.208 -3.506 6.290 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.685 -2.739 4.756 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.256 0.034 5.985 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.325 -0.206 4.487 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.611 0.698 5.844 1.00 0.00 H new ATOM 1218 N LEU A 79 2.792 -4.057 5.428 1.00 0.00 N ATOM 1219 CA LEU A 79 2.295 -5.345 5.900 1.00 0.00 C ATOM 1220 C LEU A 79 3.449 -6.289 6.222 1.00 0.00 C ATOM 1221 O LEU A 79 4.175 -6.726 5.329 1.00 0.00 O ATOM 1222 CB LEU A 79 1.381 -5.977 4.848 1.00 0.00 C ATOM 1223 CG LEU A 79 0.222 -5.110 4.356 1.00 0.00 C ATOM 1224 CD1 LEU A 79 -0.399 -5.709 3.105 1.00 0.00 C ATOM 1225 CD2 LEU A 79 -0.824 -4.948 5.449 1.00 0.00 C ATOM 0 H LEU A 79 3.185 -4.076 4.487 1.00 0.00 H new ATOM 0 HA LEU A 79 1.724 -5.175 6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.990 -6.256 3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.969 -6.898 5.260 1.00 0.00 H new ATOM 0 HG LEU A 79 0.612 -4.123 4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.222 -5.078 2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.354 -5.771 2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.775 -6.708 3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.642 -4.328 5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.210 -5.928 5.731 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.371 -4.472 6.319 1.00 0.00 H new ATOM 1237 N VAL A 80 3.610 -6.603 7.504 1.00 0.00 N ATOM 1238 CA VAL A 80 4.673 -7.498 7.944 1.00 0.00 C ATOM 1239 C VAL A 80 4.120 -8.871 8.307 1.00 0.00 C ATOM 1240 O VAL A 80 2.913 -9.040 8.480 1.00 0.00 O ATOM 1241 CB VAL A 80 5.425 -6.922 9.158 1.00 0.00 C ATOM 1242 CG1 VAL A 80 6.043 -5.575 8.814 1.00 0.00 C ATOM 1243 CG2 VAL A 80 4.493 -6.800 10.354 1.00 0.00 C ATOM 0 H VAL A 80 3.017 -6.250 8.256 1.00 0.00 H new ATOM 0 HA VAL A 80 5.368 -7.598 7.110 1.00 0.00 H new ATOM 0 HB VAL A 80 6.230 -7.607 9.423 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.570 -5.184 9.684 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.745 -5.697 7.989 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.257 -4.878 8.522 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.042 -6.391 11.203 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.665 -6.137 10.104 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.104 -7.784 10.614 1.00 0.00 H new ATOM 1253 N ASN A 81 5.011 -9.851 8.423 1.00 0.00 N ATOM 1254 CA ASN A 81 4.611 -11.211 8.766 1.00 0.00 C ATOM 1255 C ASN A 81 3.811 -11.845 7.633 1.00 0.00 C ATOM 1256 O ASN A 81 2.745 -12.419 7.857 1.00 0.00 O ATOM 1257 CB ASN A 81 3.784 -11.212 10.053 1.00 0.00 C ATOM 1258 CG ASN A 81 4.400 -10.350 11.138 1.00 0.00 C ATOM 1259 OD1 ASN A 81 5.621 -10.222 11.226 1.00 0.00 O ATOM 1260 ND2 ASN A 81 3.555 -9.753 11.970 1.00 0.00 N ATOM 0 H ASN A 81 6.014 -9.729 8.285 1.00 0.00 H new ATOM 0 HA ASN A 81 5.514 -11.800 8.922 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.778 -10.853 9.835 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.686 -12.235 10.417 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.911 -9.160 12.720 1.00 0.00 H new ATOM 0 HD22 ASN A 81 2.550 -9.888 11.860 1.00 0.00 H new ATOM 1267 N LEU A 82 4.333 -11.739 6.416 1.00 0.00 N ATOM 1268 CA LEU A 82 3.668 -12.303 5.246 1.00 0.00 C ATOM 1269 C LEU A 82 4.382 -13.564 4.770 1.00 0.00 C ATOM 1270 O LEU A 82 5.505 -13.850 5.185 1.00 0.00 O ATOM 1271 CB LEU A 82 3.620 -11.273 4.116 1.00 0.00 C ATOM 1272 CG LEU A 82 2.868 -9.977 4.421 1.00 0.00 C ATOM 1273 CD1 LEU A 82 2.907 -9.042 3.222 1.00 0.00 C ATOM 1274 CD2 LEU A 82 1.430 -10.276 4.819 1.00 0.00 C ATOM 0 H LEU A 82 5.215 -11.268 6.213 1.00 0.00 H new ATOM 0 HA LEU A 82 2.650 -12.569 5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.643 -11.019 3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.160 -11.740 3.245 1.00 0.00 H new ATOM 0 HG LEU A 82 3.361 -9.482 5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.367 -8.125 3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.943 -8.801 2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.440 -9.528 2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.910 -9.342 5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.926 -10.793 4.002 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.422 -10.907 5.708 1.00 0.00 H new ATOM 1286 N LYS A 83 3.723 -14.315 3.894 1.00 0.00 N ATOM 1287 CA LYS A 83 4.294 -15.545 3.357 1.00 0.00 C ATOM 1288 C LYS A 83 5.127 -15.259 2.112 1.00 0.00 C ATOM 1289 O LYS A 83 4.859 -14.308 1.377 1.00 0.00 O ATOM 1290 CB LYS A 83 3.184 -16.544 3.024 1.00 0.00 C ATOM 1291 CG LYS A 83 3.677 -17.972 2.871 1.00 0.00 C ATOM 1292 CD LYS A 83 2.549 -18.913 2.483 1.00 0.00 C ATOM 1293 CE LYS A 83 3.040 -20.347 2.349 1.00 0.00 C ATOM 1294 NZ LYS A 83 1.958 -21.263 1.896 1.00 0.00 N ATOM 0 H LYS A 83 2.792 -14.093 3.541 1.00 0.00 H new ATOM 0 HA LYS A 83 4.945 -15.976 4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.429 -16.511 3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.695 -16.236 2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.459 -18.008 2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.125 -18.306 3.807 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.760 -18.866 3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.111 -18.588 1.539 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.867 -20.383 1.640 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.428 -20.689 3.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.332 -22.230 1.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.179 -21.248 2.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.605 -20.952 0.969 1.00 0.00 H new ATOM 1308 N LYS A 84 6.138 -16.089 1.878 1.00 0.00 N ATOM 1309 CA LYS A 84 7.008 -15.928 0.720 1.00 0.00 C ATOM 1310 C LYS A 84 6.644 -16.924 -0.377 1.00 0.00 C ATOM 1311 O LYS A 84 6.609 -18.132 -0.146 1.00 0.00 O ATOM 1312 CB LYS A 84 8.472 -16.115 1.126 1.00 0.00 C ATOM 1313 CG LYS A 84 8.758 -17.460 1.771 1.00 0.00 C ATOM 1314 CD LYS A 84 10.239 -17.635 2.062 1.00 0.00 C ATOM 1315 CE LYS A 84 10.658 -16.864 3.304 1.00 0.00 C ATOM 1316 NZ LYS A 84 11.935 -17.380 3.872 1.00 0.00 N ATOM 0 H LYS A 84 6.375 -16.881 2.476 1.00 0.00 H new ATOM 0 HA LYS A 84 6.870 -14.919 0.332 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.102 -16.004 0.243 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.752 -15.322 1.820 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.191 -17.548 2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.419 -18.260 1.113 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.462 -18.693 2.197 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.822 -17.293 1.207 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.771 -15.809 3.056 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.872 -16.932 4.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.187 -16.829 4.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.820 -18.380 4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.691 -17.292 3.163 1.00 0.00 H new ATOM 1330 N GLY A 85 6.375 -16.408 -1.573 1.00 0.00 N ATOM 1331 CA GLY A 85 6.018 -17.266 -2.688 1.00 0.00 C ATOM 1332 C GLY A 85 4.521 -17.470 -2.807 1.00 0.00 C ATOM 1333 O GLY A 85 4.045 -18.603 -2.870 1.00 0.00 O ATOM 0 H GLY A 85 6.398 -15.411 -1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.397 -16.831 -3.613 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.505 -18.234 -2.568 1.00 0.00 H new ATOM 1337 N VAL A 86 3.776 -16.370 -2.835 1.00 0.00 N ATOM 1338 CA VAL A 86 2.323 -16.433 -2.946 1.00 0.00 C ATOM 1339 C VAL A 86 1.731 -15.052 -3.207 1.00 0.00 C ATOM 1340 O VAL A 86 2.254 -14.041 -2.736 1.00 0.00 O ATOM 1341 CB VAL A 86 1.688 -17.019 -1.671 1.00 0.00 C ATOM 1342 CG1 VAL A 86 1.754 -16.015 -0.531 1.00 0.00 C ATOM 1343 CG2 VAL A 86 0.251 -17.440 -1.939 1.00 0.00 C ATOM 0 H VAL A 86 4.154 -15.424 -2.782 1.00 0.00 H new ATOM 0 HA VAL A 86 2.098 -17.087 -3.789 1.00 0.00 H new ATOM 0 HB VAL A 86 2.254 -17.903 -1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.301 -16.447 0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.795 -15.767 -0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.214 -15.111 -0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.183 -17.852 -1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.329 -16.574 -2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.234 -18.197 -2.724 1.00 0.00 H new ATOM 1353 N THR A 87 0.637 -15.016 -3.961 1.00 0.00 N ATOM 1354 CA THR A 87 -0.026 -13.759 -4.285 1.00 0.00 C ATOM 1355 C THR A 87 -0.893 -13.280 -3.126 1.00 0.00 C ATOM 1356 O THR A 87 -1.641 -14.058 -2.534 1.00 0.00 O ATOM 1357 CB THR A 87 -0.903 -13.896 -5.544 1.00 0.00 C ATOM 1358 OG1 THR A 87 -0.322 -14.845 -6.445 1.00 0.00 O ATOM 1359 CG2 THR A 87 -1.057 -12.554 -6.244 1.00 0.00 C ATOM 0 H THR A 87 0.191 -15.843 -4.359 1.00 0.00 H new ATOM 0 HA THR A 87 0.759 -13.027 -4.475 1.00 0.00 H new ATOM 0 HB THR A 87 -1.889 -14.244 -5.237 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.886 -14.928 -7.242 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.680 -12.675 -7.130 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.526 -11.841 -5.565 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.076 -12.183 -6.539 1.00 0.00 H new ATOM 1367 N TYR A 88 -0.788 -11.995 -2.808 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.561 -11.411 -1.718 1.00 0.00 C ATOM 1369 C TYR A 88 -2.429 -10.261 -2.220 1.00 0.00 C ATOM 1370 O TYR A 88 -1.941 -9.346 -2.882 1.00 0.00 O ATOM 1371 CB TYR A 88 -0.629 -10.917 -0.611 1.00 0.00 C ATOM 1372 CG TYR A 88 -0.336 -11.958 0.445 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -1.172 -12.116 1.544 1.00 0.00 C ATOM 1374 CD2 TYR A 88 0.776 -12.784 0.345 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -0.909 -13.066 2.512 1.00 0.00 C ATOM 1376 CE2 TYR A 88 1.047 -13.738 1.307 1.00 0.00 C ATOM 1377 CZ TYR A 88 0.202 -13.875 2.389 1.00 0.00 C ATOM 1378 OH TYR A 88 0.468 -14.822 3.350 1.00 0.00 O ATOM 0 H TYR A 88 -0.175 -11.337 -3.290 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.214 -12.185 -1.315 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.310 -10.591 -1.058 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.076 -10.044 -0.134 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.043 -11.485 1.643 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.441 -12.679 -0.500 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.569 -13.175 3.360 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.915 -14.373 1.213 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.373 -15.130 3.747 1.00 0.00 H new ATOM 1388 N GLU A 89 -3.717 -10.316 -1.898 1.00 0.00 N ATOM 1389 CA GLU A 89 -4.653 -9.279 -2.316 1.00 0.00 C ATOM 1390 C GLU A 89 -4.856 -8.250 -1.207 1.00 0.00 C ATOM 1391 O GLU A 89 -5.230 -8.596 -0.086 1.00 0.00 O ATOM 1392 CB GLU A 89 -5.997 -9.900 -2.703 1.00 0.00 C ATOM 1393 CG GLU A 89 -7.053 -8.876 -3.084 1.00 0.00 C ATOM 1394 CD GLU A 89 -8.407 -9.506 -3.352 1.00 0.00 C ATOM 1395 OE1 GLU A 89 -8.515 -10.293 -4.315 1.00 0.00 O ATOM 1396 OE2 GLU A 89 -9.357 -9.212 -2.597 1.00 0.00 O ATOM 0 H GLU A 89 -4.136 -11.067 -1.349 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.231 -8.773 -3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.845 -10.582 -3.540 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.366 -10.497 -1.869 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.149 -8.144 -2.282 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.726 -8.335 -3.972 1.00 0.00 H new ATOM 1403 N ILE A 90 -4.607 -6.986 -1.529 1.00 0.00 N ATOM 1404 CA ILE A 90 -4.762 -5.906 -0.562 1.00 0.00 C ATOM 1405 C ILE A 90 -5.453 -4.700 -1.190 1.00 0.00 C ATOM 1406 O ILE A 90 -5.259 -4.404 -2.369 1.00 0.00 O ATOM 1407 CB ILE A 90 -3.403 -5.464 0.012 1.00 0.00 C ATOM 1408 CG1 ILE A 90 -2.609 -6.680 0.495 1.00 0.00 C ATOM 1409 CG2 ILE A 90 -3.605 -4.472 1.147 1.00 0.00 C ATOM 1410 CD1 ILE A 90 -1.731 -7.292 -0.575 1.00 0.00 C ATOM 0 H ILE A 90 -4.297 -6.684 -2.453 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.380 -6.294 0.248 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.834 -4.972 -0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.986 -6.385 1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.304 -7.436 0.860 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.635 -4.169 1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.135 -3.595 0.774 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.190 -4.940 1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.198 -8.149 -0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.350 -7.618 -1.411 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.012 -6.551 -0.923 1.00 0.00 H new ATOM 1422 N LYS A 91 -6.258 -4.006 -0.393 1.00 0.00 N ATOM 1423 CA LYS A 91 -6.976 -2.829 -0.868 1.00 0.00 C ATOM 1424 C LYS A 91 -6.972 -1.727 0.186 1.00 0.00 C ATOM 1425 O LYS A 91 -6.365 -1.871 1.247 1.00 0.00 O ATOM 1426 CB LYS A 91 -8.417 -3.197 -1.231 1.00 0.00 C ATOM 1427 CG LYS A 91 -9.177 -3.866 -0.099 1.00 0.00 C ATOM 1428 CD LYS A 91 -9.035 -5.378 -0.149 1.00 0.00 C ATOM 1429 CE LYS A 91 -9.651 -6.037 1.075 1.00 0.00 C ATOM 1430 NZ LYS A 91 -11.114 -5.775 1.169 1.00 0.00 N ATOM 0 H LYS A 91 -6.430 -4.238 0.585 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.467 -2.458 -1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.949 -2.294 -1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.407 -3.863 -2.094 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.807 -3.496 0.857 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.231 -3.597 -0.158 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.516 -5.760 -1.050 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -7.980 -5.643 -0.214 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.476 -7.112 1.035 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.157 -5.667 1.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.490 -6.212 2.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.282 -4.749 1.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.593 -6.180 0.340 1.00 0.00 H new ATOM 1444 N VAL A 92 -7.654 -0.626 -0.113 1.00 0.00 N ATOM 1445 CA VAL A 92 -7.731 0.500 0.810 1.00 0.00 C ATOM 1446 C VAL A 92 -9.126 1.114 0.813 1.00 0.00 C ATOM 1447 O VAL A 92 -9.597 1.617 -0.207 1.00 0.00 O ATOM 1448 CB VAL A 92 -6.703 1.590 0.452 1.00 0.00 C ATOM 1449 CG1 VAL A 92 -6.946 2.845 1.277 1.00 0.00 C ATOM 1450 CG2 VAL A 92 -5.287 1.074 0.657 1.00 0.00 C ATOM 0 H VAL A 92 -8.161 -0.490 -0.987 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.507 0.111 1.803 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.823 1.847 -0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.210 3.604 1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.948 3.224 1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.854 2.607 2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.574 1.857 0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.151 0.788 1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.120 0.206 0.019 1.00 0.00 H new ATOM 1460 N ARG A 93 -9.784 1.070 1.967 1.00 0.00 N ATOM 1461 CA ARG A 93 -11.126 1.621 2.104 1.00 0.00 C ATOM 1462 C ARG A 93 -11.175 2.667 3.213 1.00 0.00 C ATOM 1463 O ARG A 93 -10.791 2.415 4.356 1.00 0.00 O ATOM 1464 CB ARG A 93 -12.132 0.506 2.395 1.00 0.00 C ATOM 1465 CG ARG A 93 -11.840 -0.787 1.652 1.00 0.00 C ATOM 1466 CD ARG A 93 -13.028 -1.735 1.695 1.00 0.00 C ATOM 1467 NE ARG A 93 -12.795 -2.942 0.906 1.00 0.00 N ATOM 1468 CZ ARG A 93 -13.743 -3.826 0.618 1.00 0.00 C ATOM 1469 NH1 ARG A 93 -14.982 -3.640 1.051 1.00 0.00 N ATOM 1470 NH2 ARG A 93 -13.453 -4.900 -0.106 1.00 0.00 N ATOM 0 H ARG A 93 -9.409 0.658 2.821 1.00 0.00 H new ATOM 0 HA ARG A 93 -11.390 2.103 1.163 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.140 0.306 3.466 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -13.131 0.851 2.128 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -11.589 -0.563 0.615 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -10.970 -1.273 2.093 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -13.233 -2.012 2.729 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -13.914 -1.223 1.320 1.00 0.00 H new ATOM 0 HE ARG A 93 -11.852 -3.115 0.557 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -15.210 -2.816 1.607 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -15.708 -4.321 0.828 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -12.501 -5.047 -0.442 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -14.182 -5.578 -0.327 1.00 0.00 H new ATOM 1484 N PRO A 94 -11.657 3.872 2.871 1.00 0.00 N ATOM 1485 CA PRO A 94 -11.766 4.980 3.824 1.00 0.00 C ATOM 1486 C PRO A 94 -12.845 4.737 4.874 1.00 0.00 C ATOM 1487 O PRO A 94 -14.037 4.879 4.598 1.00 0.00 O ATOM 1488 CB PRO A 94 -12.139 6.172 2.940 1.00 0.00 C ATOM 1489 CG PRO A 94 -12.805 5.569 1.752 1.00 0.00 C ATOM 1490 CD PRO A 94 -12.132 4.243 1.528 1.00 0.00 C ATOM 0 HA PRO A 94 -10.846 5.123 4.390 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.806 6.858 3.462 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -11.256 6.743 2.652 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.873 5.440 1.927 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.701 6.212 0.878 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.825 3.503 1.128 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.308 4.325 0.819 1.00 0.00 H new ATOM 1498 N TYR A 95 -12.421 4.371 6.078 1.00 0.00 N ATOM 1499 CA TYR A 95 -13.352 4.107 7.169 1.00 0.00 C ATOM 1500 C TYR A 95 -13.322 5.235 8.196 1.00 0.00 C ATOM 1501 O TYR A 95 -12.274 5.824 8.459 1.00 0.00 O ATOM 1502 CB TYR A 95 -13.013 2.778 7.846 1.00 0.00 C ATOM 1503 CG TYR A 95 -12.040 2.914 8.996 1.00 0.00 C ATOM 1504 CD1 TYR A 95 -12.473 3.321 10.252 1.00 0.00 C ATOM 1505 CD2 TYR A 95 -10.690 2.638 8.826 1.00 0.00 C ATOM 1506 CE1 TYR A 95 -11.588 3.448 11.305 1.00 0.00 C ATOM 1507 CE2 TYR A 95 -9.798 2.760 9.874 1.00 0.00 C ATOM 1508 CZ TYR A 95 -10.252 3.166 11.111 1.00 0.00 C ATOM 1509 OH TYR A 95 -9.366 3.290 12.157 1.00 0.00 O ATOM 0 H TYR A 95 -11.438 4.250 6.324 1.00 0.00 H new ATOM 0 HA TYR A 95 -14.356 4.048 6.749 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -13.933 2.321 8.212 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -12.593 2.099 7.104 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.519 3.542 10.408 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.331 2.322 7.858 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -11.940 3.766 12.275 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.751 2.539 9.725 1.00 0.00 H new ATOM 0 HH TYR A 95 -8.465 3.053 11.853 1.00 0.00 H new ATOM 1519 N PHE A 96 -14.482 5.530 8.774 1.00 0.00 N ATOM 1520 CA PHE A 96 -14.591 6.588 9.772 1.00 0.00 C ATOM 1521 C PHE A 96 -14.758 6.001 11.171 1.00 0.00 C ATOM 1522 O PHE A 96 -13.995 6.317 12.083 1.00 0.00 O ATOM 1523 CB PHE A 96 -15.773 7.505 9.447 1.00 0.00 C ATOM 1524 CG PHE A 96 -16.125 8.446 10.563 1.00 0.00 C ATOM 1525 CD1 PHE A 96 -15.177 8.810 11.506 1.00 0.00 C ATOM 1526 CD2 PHE A 96 -17.405 8.966 10.670 1.00 0.00 C ATOM 1527 CE1 PHE A 96 -15.498 9.677 12.534 1.00 0.00 C ATOM 1528 CE2 PHE A 96 -17.732 9.833 11.696 1.00 0.00 C ATOM 1529 CZ PHE A 96 -16.777 10.188 12.629 1.00 0.00 C ATOM 0 H PHE A 96 -15.359 5.052 8.569 1.00 0.00 H new ATOM 0 HA PHE A 96 -13.670 7.171 9.749 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -15.538 8.084 8.554 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.643 6.893 9.210 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.176 8.412 11.437 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -18.156 8.691 9.944 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.749 9.954 13.262 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -18.733 10.232 11.768 1.00 0.00 H new ATOM 0 HZ PHE A 96 -17.031 10.864 13.432 1.00 0.00 H new ATOM 1539 N ASN A 97 -15.762 5.144 11.330 1.00 0.00 N ATOM 1540 CA ASN A 97 -16.030 4.513 12.617 1.00 0.00 C ATOM 1541 C ASN A 97 -16.079 2.995 12.479 1.00 0.00 C ATOM 1542 O ASN A 97 -15.215 2.287 12.994 1.00 0.00 O ATOM 1543 CB ASN A 97 -17.350 5.027 13.195 1.00 0.00 C ATOM 1544 CG ASN A 97 -17.168 6.282 14.028 1.00 0.00 C ATOM 1545 OD1 ASN A 97 -16.053 6.779 14.184 1.00 0.00 O ATOM 1546 ND2 ASN A 97 -18.266 6.799 14.567 1.00 0.00 N ATOM 0 H ASN A 97 -16.402 4.871 10.584 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.218 4.772 13.297 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.044 5.233 12.380 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.802 4.249 13.810 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.206 7.642 15.137 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -19.170 6.353 14.411 1.00 0.00 H new ATOM 1553 N GLU A 98 -17.097 2.502 11.779 1.00 0.00 N ATOM 1554 CA GLU A 98 -17.258 1.068 11.573 1.00 0.00 C ATOM 1555 C GLU A 98 -17.452 0.749 10.094 1.00 0.00 C ATOM 1556 O GLU A 98 -17.035 -0.306 9.615 1.00 0.00 O ATOM 1557 CB GLU A 98 -18.449 0.546 12.379 1.00 0.00 C ATOM 1558 CG GLU A 98 -19.778 1.159 11.970 1.00 0.00 C ATOM 1559 CD GLU A 98 -20.880 0.889 12.976 1.00 0.00 C ATOM 1560 OE1 GLU A 98 -20.978 1.643 13.966 1.00 0.00 O ATOM 1561 OE2 GLU A 98 -21.645 -0.077 12.771 1.00 0.00 O ATOM 0 H GLU A 98 -17.821 3.075 11.346 1.00 0.00 H new ATOM 0 HA GLU A 98 -16.350 0.573 11.917 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -18.508 -0.536 12.265 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -18.277 0.746 13.437 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -19.656 2.236 11.851 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -20.073 0.762 10.999 1.00 0.00 H new ATOM 1568 N PHE A 99 -18.089 1.668 9.375 1.00 0.00 N ATOM 1569 CA PHE A 99 -18.340 1.485 7.950 1.00 0.00 C ATOM 1570 C PHE A 99 -17.062 1.689 7.142 1.00 0.00 C ATOM 1571 O PHE A 99 -16.088 2.255 7.636 1.00 0.00 O ATOM 1572 CB PHE A 99 -19.421 2.458 7.472 1.00 0.00 C ATOM 1573 CG PHE A 99 -19.415 3.768 8.207 1.00 0.00 C ATOM 1574 CD1 PHE A 99 -20.093 3.908 9.406 1.00 0.00 C ATOM 1575 CD2 PHE A 99 -18.731 4.860 7.697 1.00 0.00 C ATOM 1576 CE1 PHE A 99 -20.090 5.112 10.085 1.00 0.00 C ATOM 1577 CE2 PHE A 99 -18.723 6.066 8.371 1.00 0.00 C ATOM 1578 CZ PHE A 99 -19.404 6.193 9.566 1.00 0.00 C ATOM 0 H PHE A 99 -18.441 2.547 9.756 1.00 0.00 H new ATOM 0 HA PHE A 99 -18.687 0.463 7.796 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -19.283 2.647 6.407 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -20.398 1.989 7.589 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -20.631 3.066 9.816 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -18.198 4.767 6.762 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -20.623 5.207 11.019 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -18.185 6.909 7.964 1.00 0.00 H new ATOM 0 HZ PHE A 99 -19.400 7.135 10.094 1.00 0.00 H new ATOM 1588 N GLN A 100 -17.076 1.224 5.897 1.00 0.00 N ATOM 1589 CA GLN A 100 -15.918 1.354 5.020 1.00 0.00 C ATOM 1590 C GLN A 100 -16.328 1.893 3.654 1.00 0.00 C ATOM 1591 O GLN A 100 -17.035 1.226 2.899 1.00 0.00 O ATOM 1592 CB GLN A 100 -15.218 0.004 4.861 1.00 0.00 C ATOM 1593 CG GLN A 100 -14.514 -0.470 6.122 1.00 0.00 C ATOM 1594 CD GLN A 100 -13.369 -1.419 5.830 1.00 0.00 C ATOM 1595 OE1 GLN A 100 -12.224 -1.162 6.204 1.00 0.00 O ATOM 1596 NE2 GLN A 100 -13.672 -2.524 5.159 1.00 0.00 N ATOM 0 H GLN A 100 -17.876 0.754 5.473 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.226 2.062 5.476 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.953 -0.744 4.563 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -14.489 0.075 4.053 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -14.135 0.394 6.668 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -15.235 -0.966 6.771 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -14.634 -2.697 4.869 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -12.942 -3.200 4.934 1.00 0.00 H new ATOM 1605 N GLY A 101 -15.879 3.105 3.341 1.00 0.00 N ATOM 1606 CA GLY A 101 -16.209 3.712 2.065 1.00 0.00 C ATOM 1607 C GLY A 101 -15.794 2.852 0.888 1.00 0.00 C ATOM 1608 O GLY A 101 -15.252 1.762 1.069 1.00 0.00 O ATOM 0 H GLY A 101 -15.293 3.677 3.949 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -17.283 3.891 2.019 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -15.720 4.683 1.991 1.00 0.00 H new ATOM 1612 N MET A 102 -16.051 3.342 -0.320 1.00 0.00 N ATOM 1613 CA MET A 102 -15.700 2.609 -1.531 1.00 0.00 C ATOM 1614 C MET A 102 -14.321 1.969 -1.400 1.00 0.00 C ATOM 1615 O MET A 102 -13.390 2.581 -0.877 1.00 0.00 O ATOM 1616 CB MET A 102 -15.728 3.542 -2.744 1.00 0.00 C ATOM 1617 CG MET A 102 -17.106 4.109 -3.042 1.00 0.00 C ATOM 1618 SD MET A 102 -17.186 4.932 -4.645 1.00 0.00 S ATOM 1619 CE MET A 102 -16.911 3.549 -5.750 1.00 0.00 C ATOM 0 H MET A 102 -16.500 4.242 -0.487 1.00 0.00 H new ATOM 0 HA MET A 102 -16.436 1.818 -1.672 1.00 0.00 H new ATOM 0 HB2 MET A 102 -15.034 4.365 -2.575 1.00 0.00 H new ATOM 0 HB3 MET A 102 -15.371 2.998 -3.619 1.00 0.00 H new ATOM 0 HG2 MET A 102 -17.840 3.304 -3.014 1.00 0.00 H new ATOM 0 HG3 MET A 102 -17.380 4.817 -2.260 1.00 0.00 H new ATOM 0 HE1 MET A 102 -17.321 3.781 -6.733 1.00 0.00 H new ATOM 0 HE2 MET A 102 -15.841 3.361 -5.839 1.00 0.00 H new ATOM 0 HE3 MET A 102 -17.403 2.662 -5.352 1.00 0.00 H new ATOM 1629 N ASP A 103 -14.199 0.735 -1.876 1.00 0.00 N ATOM 1630 CA ASP A 103 -12.934 0.013 -1.812 1.00 0.00 C ATOM 1631 C ASP A 103 -12.116 0.236 -3.080 1.00 0.00 C ATOM 1632 O ASP A 103 -12.628 0.109 -4.192 1.00 0.00 O ATOM 1633 CB ASP A 103 -13.186 -1.482 -1.609 1.00 0.00 C ATOM 1634 CG ASP A 103 -14.010 -2.088 -2.729 1.00 0.00 C ATOM 1635 OD1 ASP A 103 -13.502 -2.159 -3.868 1.00 0.00 O ATOM 1636 OD2 ASP A 103 -15.162 -2.490 -2.466 1.00 0.00 O ATOM 0 H ASP A 103 -14.961 0.214 -2.310 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.367 0.397 -0.964 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.231 -2.003 -1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -13.700 -1.635 -0.660 1.00 0.00 H new ATOM 1641 N SER A 104 -10.841 0.571 -2.904 1.00 0.00 N ATOM 1642 CA SER A 104 -9.953 0.817 -4.034 1.00 0.00 C ATOM 1643 C SER A 104 -9.778 -0.445 -4.873 1.00 0.00 C ATOM 1644 O SER A 104 -10.224 -1.526 -4.487 1.00 0.00 O ATOM 1645 CB SER A 104 -8.591 1.308 -3.541 1.00 0.00 C ATOM 1646 OG SER A 104 -7.773 0.223 -3.139 1.00 0.00 O ATOM 0 H SER A 104 -10.401 0.678 -1.990 1.00 0.00 H new ATOM 0 HA SER A 104 -10.405 1.587 -4.659 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.094 1.868 -4.333 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.729 1.993 -2.705 1.00 0.00 H new ATOM 0 HG SER A 104 -7.062 0.550 -2.549 1.00 0.00 H new ATOM 1652 N GLU A 105 -9.127 -0.299 -6.022 1.00 0.00 N ATOM 1653 CA GLU A 105 -8.894 -1.427 -6.916 1.00 0.00 C ATOM 1654 C GLU A 105 -7.923 -2.425 -6.292 1.00 0.00 C ATOM 1655 O GLU A 105 -6.708 -2.226 -6.321 1.00 0.00 O ATOM 1656 CB GLU A 105 -8.347 -0.938 -8.259 1.00 0.00 C ATOM 1657 CG GLU A 105 -9.350 -0.136 -9.070 1.00 0.00 C ATOM 1658 CD GLU A 105 -8.724 0.531 -10.279 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -8.602 -0.135 -11.328 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -8.357 1.720 -10.176 1.00 0.00 O ATOM 0 H GLU A 105 -8.752 0.589 -6.356 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.847 -1.929 -7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.464 -0.325 -8.080 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.024 -1.798 -8.845 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.154 -0.794 -9.399 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.801 0.625 -8.433 1.00 0.00 H new ATOM 1667 N SER A 106 -8.467 -3.498 -5.728 1.00 0.00 N ATOM 1668 CA SER A 106 -7.650 -4.525 -5.092 1.00 0.00 C ATOM 1669 C SER A 106 -6.474 -4.912 -5.983 1.00 0.00 C ATOM 1670 O SER A 106 -6.657 -5.367 -7.112 1.00 0.00 O ATOM 1671 CB SER A 106 -8.497 -5.761 -4.782 1.00 0.00 C ATOM 1672 OG SER A 106 -9.125 -6.256 -5.952 1.00 0.00 O ATOM 0 H SER A 106 -9.470 -3.679 -5.698 1.00 0.00 H new ATOM 0 HA SER A 106 -7.259 -4.118 -4.160 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.867 -6.537 -4.347 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.253 -5.510 -4.038 1.00 0.00 H new ATOM 0 HG SER A 106 -8.518 -6.159 -6.715 1.00 0.00 H new ATOM 1678 N LYS A 107 -5.263 -4.727 -5.466 1.00 0.00 N ATOM 1679 CA LYS A 107 -4.054 -5.057 -6.212 1.00 0.00 C ATOM 1680 C LYS A 107 -3.383 -6.300 -5.638 1.00 0.00 C ATOM 1681 O LYS A 107 -3.214 -6.423 -4.424 1.00 0.00 O ATOM 1682 CB LYS A 107 -3.078 -3.879 -6.186 1.00 0.00 C ATOM 1683 CG LYS A 107 -3.526 -2.698 -7.031 1.00 0.00 C ATOM 1684 CD LYS A 107 -3.144 -2.880 -8.490 1.00 0.00 C ATOM 1685 CE LYS A 107 -3.551 -1.677 -9.327 1.00 0.00 C ATOM 1686 NZ LYS A 107 -3.289 -1.895 -10.777 1.00 0.00 N ATOM 0 H LYS A 107 -5.093 -4.350 -4.533 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.338 -5.263 -7.244 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.948 -3.549 -5.155 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.104 -4.218 -6.538 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.606 -2.580 -6.949 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -3.075 -1.783 -6.647 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.068 -3.032 -8.569 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -3.622 -3.777 -8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -4.611 -1.472 -9.176 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.005 -0.797 -8.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.580 -1.052 -11.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.274 -2.066 -10.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.830 -2.719 -11.107 1.00 0.00 H new ATOM 1700 N THR A 108 -3.001 -7.221 -6.517 1.00 0.00 N ATOM 1701 CA THR A 108 -2.348 -8.454 -6.098 1.00 0.00 C ATOM 1702 C THR A 108 -0.832 -8.294 -6.076 1.00 0.00 C ATOM 1703 O THR A 108 -0.238 -7.785 -7.027 1.00 0.00 O ATOM 1704 CB THR A 108 -2.715 -9.628 -7.025 1.00 0.00 C ATOM 1705 OG1 THR A 108 -2.643 -9.212 -8.394 1.00 0.00 O ATOM 1706 CG2 THR A 108 -4.114 -10.142 -6.720 1.00 0.00 C ATOM 0 H THR A 108 -3.133 -7.136 -7.525 1.00 0.00 H new ATOM 0 HA THR A 108 -2.702 -8.672 -5.090 1.00 0.00 H new ATOM 0 HB THR A 108 -2.003 -10.435 -6.852 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.876 -9.964 -8.977 1.00 0.00 H new ATOM 0 HG21 THR A 108 -4.351 -10.971 -7.387 1.00 0.00 H new ATOM 0 HG22 THR A 108 -4.158 -10.484 -5.686 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.837 -9.340 -6.868 1.00 0.00 H new ATOM 1714 N VAL A 109 -0.211 -8.731 -4.985 1.00 0.00 N ATOM 1715 CA VAL A 109 1.237 -8.638 -4.841 1.00 0.00 C ATOM 1716 C VAL A 109 1.864 -10.019 -4.690 1.00 0.00 C ATOM 1717 O VAL A 109 1.670 -10.693 -3.678 1.00 0.00 O ATOM 1718 CB VAL A 109 1.625 -7.774 -3.626 1.00 0.00 C ATOM 1719 CG1 VAL A 109 1.143 -8.419 -2.336 1.00 0.00 C ATOM 1720 CG2 VAL A 109 3.129 -7.550 -3.591 1.00 0.00 C ATOM 0 H VAL A 109 -0.688 -9.153 -4.188 1.00 0.00 H new ATOM 0 HA VAL A 109 1.616 -8.168 -5.748 1.00 0.00 H new ATOM 0 HB VAL A 109 1.138 -6.803 -3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.426 -7.794 -1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.058 -8.522 -2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.598 -9.403 -2.229 1.00 0.00 H new ATOM 0 HG21 VAL A 109 3.386 -6.938 -2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.638 -8.511 -3.519 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.442 -7.040 -4.502 1.00 0.00 H new ATOM 1730 N ARG A 110 2.618 -10.434 -5.702 1.00 0.00 N ATOM 1731 CA ARG A 110 3.274 -11.736 -5.682 1.00 0.00 C ATOM 1732 C ARG A 110 4.628 -11.652 -4.983 1.00 0.00 C ATOM 1733 O ARG A 110 5.604 -11.161 -5.552 1.00 0.00 O ATOM 1734 CB ARG A 110 3.456 -12.261 -7.107 1.00 0.00 C ATOM 1735 CG ARG A 110 3.432 -13.778 -7.205 1.00 0.00 C ATOM 1736 CD ARG A 110 3.653 -14.247 -8.635 1.00 0.00 C ATOM 1737 NE ARG A 110 2.530 -13.905 -9.503 1.00 0.00 N ATOM 1738 CZ ARG A 110 2.634 -13.772 -10.821 1.00 0.00 C ATOM 1739 NH1 ARG A 110 3.803 -13.951 -11.419 1.00 0.00 N ATOM 1740 NH2 ARG A 110 1.566 -13.458 -11.543 1.00 0.00 N ATOM 0 H ARG A 110 2.790 -9.888 -6.546 1.00 0.00 H new ATOM 0 HA ARG A 110 2.639 -12.426 -5.126 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.668 -11.852 -7.739 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.404 -11.895 -7.502 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.204 -14.198 -6.560 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.475 -14.152 -6.842 1.00 0.00 H new ATOM 0 HD2 ARG A 110 4.565 -13.796 -9.027 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.802 -15.327 -8.643 1.00 0.00 H new ATOM 0 HE ARG A 110 1.616 -13.760 -9.074 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.626 -14.192 -10.867 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.879 -13.848 -12.431 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.665 -13.319 -11.086 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.646 -13.356 -12.555 1.00 0.00 H new ATOM 1754 N THR A 111 4.680 -12.134 -3.745 1.00 0.00 N ATOM 1755 CA THR A 111 5.913 -12.112 -2.968 1.00 0.00 C ATOM 1756 C THR A 111 6.874 -13.201 -3.431 1.00 0.00 C ATOM 1757 O THR A 111 6.662 -14.385 -3.167 1.00 0.00 O ATOM 1758 CB THR A 111 5.632 -12.296 -1.465 1.00 0.00 C ATOM 1759 OG1 THR A 111 4.935 -13.528 -1.243 1.00 0.00 O ATOM 1760 CG2 THR A 111 4.809 -11.138 -0.922 1.00 0.00 C ATOM 0 H THR A 111 3.882 -12.544 -3.259 1.00 0.00 H new ATOM 0 HA THR A 111 6.371 -11.136 -3.128 1.00 0.00 H new ATOM 0 HB THR A 111 6.587 -12.320 -0.941 1.00 0.00 H new ATOM 0 HG1 THR A 111 4.810 -13.664 -0.281 1.00 0.00 H new ATOM 0 HG21 THR A 111 4.623 -11.291 0.141 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.355 -10.205 -1.065 1.00 0.00 H new ATOM 0 HG23 THR A 111 3.858 -11.087 -1.453 1.00 0.00 H new ATOM 1768 N THR A 112 7.934 -12.793 -4.122 1.00 0.00 N ATOM 1769 CA THR A 112 8.929 -13.734 -4.622 1.00 0.00 C ATOM 1770 C THR A 112 9.393 -14.681 -3.520 1.00 0.00 C ATOM 1771 O THR A 112 9.110 -14.462 -2.343 1.00 0.00 O ATOM 1772 CB THR A 112 10.153 -13.002 -5.203 1.00 0.00 C ATOM 1773 OG1 THR A 112 11.007 -13.933 -5.876 1.00 0.00 O ATOM 1774 CG2 THR A 112 10.931 -12.293 -4.105 1.00 0.00 C ATOM 0 H THR A 112 8.126 -11.817 -4.348 1.00 0.00 H new ATOM 0 HA THR A 112 8.450 -14.309 -5.414 1.00 0.00 H new ATOM 0 HB THR A 112 9.799 -12.256 -5.914 1.00 0.00 H new ATOM 0 HG1 THR A 112 11.782 -13.459 -6.244 1.00 0.00 H new ATOM 0 HG21 THR A 112 11.791 -11.783 -4.539 1.00 0.00 H new ATOM 0 HG22 THR A 112 10.286 -11.564 -3.615 1.00 0.00 H new ATOM 0 HG23 THR A 112 11.274 -13.024 -3.373 1.00 0.00 H new ATOM 1782 N GLU A 113 10.107 -15.732 -3.912 1.00 0.00 N ATOM 1783 CA GLU A 113 10.609 -16.711 -2.956 1.00 0.00 C ATOM 1784 C GLU A 113 12.091 -16.482 -2.670 1.00 0.00 C ATOM 1785 O GLU A 113 12.532 -16.567 -1.525 1.00 0.00 O ATOM 1786 CB GLU A 113 10.395 -18.130 -3.486 1.00 0.00 C ATOM 1787 CG GLU A 113 8.959 -18.614 -3.368 1.00 0.00 C ATOM 1788 CD GLU A 113 8.812 -20.089 -3.686 1.00 0.00 C ATOM 1789 OE1 GLU A 113 9.032 -20.469 -4.855 1.00 0.00 O ATOM 1790 OE2 GLU A 113 8.477 -20.863 -2.765 1.00 0.00 O ATOM 0 H GLU A 113 10.350 -15.927 -4.883 1.00 0.00 H new ATOM 0 HA GLU A 113 10.054 -16.590 -2.026 1.00 0.00 H new ATOM 0 HB2 GLU A 113 10.697 -18.167 -4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 113 11.046 -18.814 -2.942 1.00 0.00 H new ATOM 0 HG2 GLU A 113 8.598 -18.427 -2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 113 8.328 -18.036 -4.043 1.00 0.00 H new ATOM 1797 N GLU A 114 12.852 -16.191 -3.720 1.00 0.00 N ATOM 1798 CA GLU A 114 14.284 -15.950 -3.582 1.00 0.00 C ATOM 1799 C GLU A 114 14.549 -14.752 -2.676 1.00 0.00 C ATOM 1800 O GLU A 114 14.007 -13.667 -2.888 1.00 0.00 O ATOM 1801 CB GLU A 114 14.919 -15.717 -4.954 1.00 0.00 C ATOM 1802 CG GLU A 114 16.425 -15.917 -4.970 1.00 0.00 C ATOM 1803 CD GLU A 114 17.157 -14.900 -4.115 1.00 0.00 C ATOM 1804 OE1 GLU A 114 16.679 -13.751 -4.020 1.00 0.00 O ATOM 1805 OE2 GLU A 114 18.209 -15.255 -3.542 1.00 0.00 O ATOM 0 H GLU A 114 12.502 -16.116 -4.675 1.00 0.00 H new ATOM 0 HA GLU A 114 14.733 -16.833 -3.128 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.463 -16.395 -5.676 1.00 0.00 H new ATOM 0 HB3 GLU A 114 14.692 -14.703 -5.282 1.00 0.00 H new ATOM 0 HG2 GLU A 114 16.658 -16.921 -4.614 1.00 0.00 H new ATOM 0 HG3 GLU A 114 16.786 -15.851 -5.996 1.00 0.00 H new ATOM 1812 N SER A 115 15.387 -14.956 -1.664 1.00 0.00 N ATOM 1813 CA SER A 115 15.722 -13.895 -0.722 1.00 0.00 C ATOM 1814 C SER A 115 16.976 -13.149 -1.168 1.00 0.00 C ATOM 1815 O SER A 115 18.069 -13.713 -1.201 1.00 0.00 O ATOM 1816 CB SER A 115 15.929 -14.474 0.679 1.00 0.00 C ATOM 1817 OG SER A 115 16.451 -13.496 1.562 1.00 0.00 O ATOM 0 H SER A 115 15.846 -15.847 -1.476 1.00 0.00 H new ATOM 0 HA SER A 115 14.891 -13.190 -0.696 1.00 0.00 H new ATOM 0 HB2 SER A 115 14.981 -14.848 1.065 1.00 0.00 H new ATOM 0 HB3 SER A 115 16.610 -15.323 0.628 1.00 0.00 H new ATOM 0 HG SER A 115 16.573 -13.890 2.451 1.00 0.00 H new ATOM 1823 N GLY A 116 16.809 -11.875 -1.511 1.00 0.00 N ATOM 1824 CA GLY A 116 17.935 -11.072 -1.950 1.00 0.00 C ATOM 1825 C GLY A 116 17.674 -9.584 -1.815 1.00 0.00 C ATOM 1826 O GLY A 116 17.263 -8.916 -2.764 1.00 0.00 O ATOM 0 H GLY A 116 15.914 -11.385 -1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 116 18.816 -11.338 -1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 116 18.160 -11.305 -2.991 1.00 0.00 H new ATOM 1830 N PRO A 117 17.912 -9.044 -0.611 1.00 0.00 N ATOM 1831 CA PRO A 117 17.706 -7.621 -0.327 1.00 0.00 C ATOM 1832 C PRO A 117 18.725 -6.735 -1.035 1.00 0.00 C ATOM 1833 O PRO A 117 19.932 -6.949 -0.923 1.00 0.00 O ATOM 1834 CB PRO A 117 17.884 -7.533 1.191 1.00 0.00 C ATOM 1835 CG PRO A 117 18.757 -8.690 1.538 1.00 0.00 C ATOM 1836 CD PRO A 117 18.403 -9.781 0.566 1.00 0.00 C ATOM 0 HA PRO A 117 16.735 -7.272 -0.677 1.00 0.00 H new ATOM 0 HB2 PRO A 117 18.344 -6.589 1.482 1.00 0.00 H new ATOM 0 HB3 PRO A 117 16.925 -7.592 1.706 1.00 0.00 H new ATOM 0 HG2 PRO A 117 19.810 -8.422 1.457 1.00 0.00 H new ATOM 0 HG3 PRO A 117 18.588 -9.012 2.565 1.00 0.00 H new ATOM 0 HD2 PRO A 117 19.268 -10.398 0.322 1.00 0.00 H new ATOM 0 HD3 PRO A 117 17.640 -10.447 0.970 1.00 0.00 H new ATOM 1844 N SER A 118 18.231 -5.739 -1.763 1.00 0.00 N ATOM 1845 CA SER A 118 19.099 -4.822 -2.493 1.00 0.00 C ATOM 1846 C SER A 118 18.902 -3.388 -2.009 1.00 0.00 C ATOM 1847 O SER A 118 17.798 -2.993 -1.637 1.00 0.00 O ATOM 1848 CB SER A 118 18.820 -4.908 -3.995 1.00 0.00 C ATOM 1849 OG SER A 118 17.486 -4.532 -4.289 1.00 0.00 O ATOM 0 H SER A 118 17.234 -5.546 -1.863 1.00 0.00 H new ATOM 0 HA SER A 118 20.133 -5.112 -2.306 1.00 0.00 H new ATOM 0 HB2 SER A 118 19.511 -4.260 -4.534 1.00 0.00 H new ATOM 0 HB3 SER A 118 19.000 -5.925 -4.344 1.00 0.00 H new ATOM 0 HG SER A 118 17.334 -4.594 -5.255 1.00 0.00 H new ATOM 1855 N SER A 119 19.983 -2.614 -2.019 1.00 0.00 N ATOM 1856 CA SER A 119 19.932 -1.225 -1.578 1.00 0.00 C ATOM 1857 C SER A 119 20.545 -0.300 -2.625 1.00 0.00 C ATOM 1858 O SER A 119 21.257 -0.746 -3.524 1.00 0.00 O ATOM 1859 CB SER A 119 20.667 -1.063 -0.246 1.00 0.00 C ATOM 1860 OG SER A 119 19.798 -1.302 0.848 1.00 0.00 O ATOM 0 H SER A 119 20.904 -2.925 -2.327 1.00 0.00 H new ATOM 0 HA SER A 119 18.886 -0.951 -1.443 1.00 0.00 H new ATOM 0 HB2 SER A 119 21.508 -1.755 -0.205 1.00 0.00 H new ATOM 0 HB3 SER A 119 21.079 -0.056 -0.174 1.00 0.00 H new ATOM 0 HG SER A 119 20.292 -1.194 1.688 1.00 0.00 H new ATOM 1866 N GLY A 120 20.261 0.993 -2.502 1.00 0.00 N ATOM 1867 CA GLY A 120 20.792 1.962 -3.444 1.00 0.00 C ATOM 1868 C GLY A 120 22.306 1.941 -3.506 1.00 0.00 C ATOM 1869 O GLY A 120 22.958 1.286 -2.694 1.00 0.00 O ATOM 0 H GLY A 120 19.673 1.387 -1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 120 20.388 1.759 -4.436 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.457 2.960 -3.162 1.00 0.00 H new TER 1873 GLY A 120