USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 985 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: B 58 ASN : amide:sc= -0.151 X(o=-0.15,f=0.19) USER MOD Set 1.2: B 59 SER OG : rot 180:sc= 0 USER MOD Set 2.1: B 30 SER OG : rot -5:sc= 0.459 USER MOD Set 2.2: B 56 TYR OH : rot 180:sc= -0.579 USER MOD Set 3.1: B 31 ASN : amide:sc= -2.47! X(o=-2.2!,f=-1.8) USER MOD Set 3.2: B 33 THR OG1 : rot 95:sc= 0.226 USER MOD Set 4.1: B 1 GLN : amide:sc= -1.44 K(o=-1.3,f=0.0069) USER MOD Set 4.2: B -1 HIS : no HD1:sc= -0.468 K(o=-1.3,f=-0.51) USER MOD Set 4.3: B 19 THR OG1 : rot -14:sc= 0.584 USER MOD Single : B 0 MET CE :methyl -112:sc= -1.28 (180deg=-2.17) USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B -2 SER OG : rot 180:sc= 0 USER MOD Single : B -9 SER OG : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 GLN : amide:sc= -0.748 K(o=-0.75,f=-2.8) USER MOD Single : B 22 GLN : amide:sc= -3.11! C(o=-3.1!,f=-3.2!) USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.093 USER MOD Single : B 34 THR OG1 : rot -58:sc= 0.802 USER MOD Single : B 42 ASN : amide:sc= -0.527 K(o=-0.53,f=-8!) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 SER OG : rot -28:sc= 0.567 USER MOD Single : B 63 SER OG : rot 170:sc= -0.242 USER MOD Single : B 68 SER OG : rot 180:sc= 0 USER MOD Single : B 72 SER OG : rot -140:sc= 1.53 USER MOD Single : B 73 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 SER OG : rot 180:sc= 0 USER MOD Single : B 90 TYR OH : rot 136:sc= 0.217 USER MOD Single : B 96 LYS NZ :NH3+ -164:sc= -0.0797 (180deg=-0.355) USER MOD Single : B -10 SER OG : rot 180:sc= 0 USER MOD Single : B -11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B -12 HIS : no HD1:sc= 0 X(o=0,f=-0.0058) USER MOD Single : B -13 HIS : no HD1:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : B -14 HIS : no HD1:sc= 0 X(o=0,f=-0.0058) USER MOD Single : B -15 HIS : no HD1:sc= 0 X(o=0,f=-0.00059) USER MOD Single : B -16 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : B -17 SER OG : rot 180:sc= 0 USER MOD Single : B -18 SER OG : rot 38:sc= 0.687 USER MOD Single : B -20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B -20 MET N :NH3+ -169:sc= -0.236 (180deg=-0.416) USER MOD Single : B 103 SER OG : rot 180:sc= -0.126 USER MOD Single : B 105 SER OG : rot 180:sc= 0 USER MOD Single : B 109 GLN : amide:sc= -1.13 K(o=-1.1,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET B -20 2.773 49.414 12.144 1.00 0.00 N ATOM 2 CA MET B -20 1.949 48.211 12.429 1.00 0.00 C ATOM 3 C MET B -20 1.978 47.871 13.915 1.00 0.00 C ATOM 4 O MET B -20 1.276 46.965 14.368 1.00 0.00 O ATOM 5 CB MET B -20 2.459 47.021 11.616 1.00 0.00 C ATOM 6 CG MET B -20 2.414 47.246 10.112 1.00 0.00 C ATOM 7 SD MET B -20 3.024 45.830 9.179 1.00 0.00 S ATOM 8 CE MET B -20 2.830 46.422 7.501 1.00 0.00 C ATOM 0 H1 MET B -20 2.592 49.736 11.172 1.00 0.00 H new ATOM 0 H2 MET B -20 2.524 50.172 12.812 1.00 0.00 H new ATOM 0 H3 MET B -20 3.780 49.178 12.249 1.00 0.00 H new ATOM 0 HA MET B -20 0.920 48.429 12.144 1.00 0.00 H new ATOM 0 HB2 MET B -20 3.485 46.803 11.912 1.00 0.00 H new ATOM 0 HB3 MET B -20 1.863 46.142 11.861 1.00 0.00 H new ATOM 0 HG2 MET B -20 1.388 47.460 9.811 1.00 0.00 H new ATOM 0 HG3 MET B -20 3.009 48.124 9.862 1.00 0.00 H new ATOM 0 HE1 MET B -20 3.166 45.655 6.803 1.00 0.00 H new ATOM 0 HE2 MET B -20 1.780 46.648 7.314 1.00 0.00 H new ATOM 0 HE3 MET B -20 3.425 47.324 7.362 1.00 0.00 H new ATOM 20 N GLY B -19 2.793 48.602 14.671 1.00 0.00 N ATOM 21 CA GLY B -19 2.897 48.364 16.097 1.00 0.00 C ATOM 22 C GLY B -19 3.961 47.340 16.438 1.00 0.00 C ATOM 23 O GLY B -19 4.615 46.795 15.547 1.00 0.00 O ATOM 0 H GLY B -19 3.383 49.356 14.319 1.00 0.00 H new ATOM 0 HA2 GLY B -19 3.125 49.302 16.603 1.00 0.00 H new ATOM 0 HA3 GLY B -19 1.934 48.023 16.476 1.00 0.00 H new ATOM 27 N SER B -18 4.137 47.077 17.728 1.00 0.00 N ATOM 28 CA SER B -18 5.131 46.112 18.185 1.00 0.00 C ATOM 29 C SER B -18 4.522 44.719 18.298 1.00 0.00 C ATOM 30 O SER B -18 3.701 44.457 19.177 1.00 0.00 O ATOM 31 CB SER B -18 5.707 46.542 19.535 1.00 0.00 C ATOM 32 OG SER B -18 4.690 46.643 20.516 1.00 0.00 O ATOM 0 H SER B -18 3.604 47.519 18.477 1.00 0.00 H new ATOM 0 HA SER B -18 5.935 46.079 17.450 1.00 0.00 H new ATOM 0 HB2 SER B -18 6.458 45.822 19.859 1.00 0.00 H new ATOM 0 HB3 SER B -18 6.211 47.503 19.429 1.00 0.00 H new ATOM 0 HG SER B -18 4.036 45.925 20.385 1.00 0.00 H new ATOM 38 N SER B -17 4.931 43.824 17.401 1.00 0.00 N ATOM 39 CA SER B -17 4.428 42.456 17.400 1.00 0.00 C ATOM 40 C SER B -17 5.335 41.544 16.582 1.00 0.00 C ATOM 41 O SER B -17 5.930 41.968 15.591 1.00 0.00 O ATOM 42 CB SER B -17 3.004 42.414 16.838 1.00 0.00 C ATOM 43 OG SER B -17 2.965 42.910 15.510 1.00 0.00 O ATOM 0 H SER B -17 5.610 44.024 16.666 1.00 0.00 H new ATOM 0 HA SER B -17 4.416 42.099 18.430 1.00 0.00 H new ATOM 0 HB2 SER B -17 2.632 41.390 16.858 1.00 0.00 H new ATOM 0 HB3 SER B -17 2.342 43.006 17.470 1.00 0.00 H new ATOM 0 HG SER B -17 2.046 42.871 15.173 1.00 0.00 H new ATOM 49 N HIS B -16 5.437 40.287 17.006 1.00 0.00 N ATOM 50 CA HIS B -16 6.274 39.312 16.313 1.00 0.00 C ATOM 51 C HIS B -16 5.455 38.520 15.299 1.00 0.00 C ATOM 52 O HIS B -16 4.397 37.979 15.625 1.00 0.00 O ATOM 53 CB HIS B -16 6.924 38.360 17.320 1.00 0.00 C ATOM 54 CG HIS B -16 7.850 37.366 16.693 1.00 0.00 C ATOM 55 ND1 HIS B -16 7.490 36.060 16.432 1.00 0.00 N ATOM 56 CD2 HIS B -16 9.132 37.490 16.274 1.00 0.00 C ATOM 57 CE1 HIS B -16 8.510 35.424 15.883 1.00 0.00 C ATOM 58 NE2 HIS B -16 9.517 36.270 15.775 1.00 0.00 N ATOM 0 H HIS B -16 4.951 39.920 17.825 1.00 0.00 H new ATOM 0 HA HIS B -16 7.056 39.852 15.779 1.00 0.00 H new ATOM 0 HB2 HIS B -16 7.476 38.945 18.056 1.00 0.00 H new ATOM 0 HB3 HIS B -16 6.142 37.826 17.859 1.00 0.00 H new ATOM 0 HD2 HIS B -16 9.739 38.382 16.323 1.00 0.00 H new ATOM 0 HE1 HIS B -16 8.518 34.389 15.575 1.00 0.00 H new ATOM 0 HE2 HIS B -16 10.434 36.053 15.384 1.00 0.00 H new ATOM 67 N HIS B -15 5.952 38.452 14.067 1.00 0.00 N ATOM 68 CA HIS B -15 5.267 37.725 13.005 1.00 0.00 C ATOM 69 C HIS B -15 6.158 36.624 12.437 1.00 0.00 C ATOM 70 O HIS B -15 7.320 36.863 12.106 1.00 0.00 O ATOM 71 CB HIS B -15 4.850 38.686 11.890 1.00 0.00 C ATOM 72 CG HIS B -15 4.097 38.024 10.777 1.00 0.00 C ATOM 73 ND1 HIS B -15 4.675 37.692 9.569 1.00 0.00 N ATOM 74 CD2 HIS B -15 2.803 37.633 10.692 1.00 0.00 C ATOM 75 CE1 HIS B -15 3.770 37.126 8.790 1.00 0.00 C ATOM 76 NE2 HIS B -15 2.625 37.078 9.449 1.00 0.00 N ATOM 0 H HIS B -15 6.827 38.892 13.781 1.00 0.00 H new ATOM 0 HA HIS B -15 4.376 37.263 13.430 1.00 0.00 H new ATOM 0 HB2 HIS B -15 4.232 39.476 12.316 1.00 0.00 H new ATOM 0 HB3 HIS B -15 5.741 39.163 11.481 1.00 0.00 H new ATOM 0 HD2 HIS B -15 2.051 37.738 11.460 1.00 0.00 H new ATOM 0 HE1 HIS B -15 3.937 36.764 7.786 1.00 0.00 H new ATOM 0 HE2 HIS B -15 1.751 36.691 9.092 1.00 0.00 H new ATOM 85 N HIS B -14 5.607 35.420 12.329 1.00 0.00 N ATOM 86 CA HIS B -14 6.348 34.282 11.802 1.00 0.00 C ATOM 87 C HIS B -14 6.278 34.245 10.280 1.00 0.00 C ATOM 88 O HIS B -14 5.202 34.348 9.695 1.00 0.00 O ATOM 89 CB HIS B -14 5.801 32.977 12.382 1.00 0.00 C ATOM 90 CG HIS B -14 5.903 32.892 13.874 1.00 0.00 C ATOM 91 ND1 HIS B -14 6.886 32.173 14.520 1.00 0.00 N ATOM 92 CD2 HIS B -14 5.138 33.441 14.848 1.00 0.00 C ATOM 93 CE1 HIS B -14 6.721 32.283 15.827 1.00 0.00 C ATOM 94 NE2 HIS B -14 5.668 33.046 16.051 1.00 0.00 N ATOM 0 H HIS B -14 4.647 35.208 12.600 1.00 0.00 H new ATOM 0 HA HIS B -14 7.392 34.392 12.097 1.00 0.00 H new ATOM 0 HB2 HIS B -14 4.756 32.870 12.091 1.00 0.00 H new ATOM 0 HB3 HIS B -14 6.341 32.139 11.941 1.00 0.00 H new ATOM 0 HD2 HIS B -14 4.273 34.072 14.705 1.00 0.00 H new ATOM 0 HE1 HIS B -14 7.342 31.826 16.583 1.00 0.00 H new ATOM 0 HE2 HIS B -14 5.306 33.301 16.970 1.00 0.00 H new ATOM 103 N HIS B -13 7.438 34.098 9.642 1.00 0.00 N ATOM 104 CA HIS B -13 7.509 34.048 8.187 1.00 0.00 C ATOM 105 C HIS B -13 8.570 33.050 7.730 1.00 0.00 C ATOM 106 O HIS B -13 8.377 32.329 6.751 1.00 0.00 O ATOM 107 CB HIS B -13 7.819 35.437 7.621 1.00 0.00 C ATOM 108 CG HIS B -13 7.833 35.487 6.126 1.00 0.00 C ATOM 109 ND1 HIS B -13 6.726 35.816 5.373 1.00 0.00 N ATOM 110 CD2 HIS B -13 8.830 35.250 5.240 1.00 0.00 C ATOM 111 CE1 HIS B -13 7.041 35.780 4.090 1.00 0.00 C ATOM 112 NE2 HIS B -13 8.312 35.439 3.984 1.00 0.00 N ATOM 0 H HIS B -13 8.339 34.012 10.111 1.00 0.00 H new ATOM 0 HA HIS B -13 6.540 33.720 7.811 1.00 0.00 H new ATOM 0 HB2 HIS B -13 7.078 36.145 7.993 1.00 0.00 H new ATOM 0 HB3 HIS B -13 8.789 35.764 7.996 1.00 0.00 H new ATOM 0 HD2 HIS B -13 9.844 34.965 5.478 1.00 0.00 H new ATOM 0 HE1 HIS B -13 6.373 35.993 3.269 1.00 0.00 H new ATOM 0 HE2 HIS B -13 8.826 35.333 3.109 1.00 0.00 H new ATOM 121 N HIS B -12 9.689 33.015 8.446 1.00 0.00 N ATOM 122 CA HIS B -12 10.780 32.106 8.114 1.00 0.00 C ATOM 123 C HIS B -12 10.637 30.787 8.868 1.00 0.00 C ATOM 124 O HIS B -12 10.158 30.758 10.002 1.00 0.00 O ATOM 125 CB HIS B -12 12.128 32.751 8.447 1.00 0.00 C ATOM 126 CG HIS B -12 12.384 34.022 7.698 1.00 0.00 C ATOM 127 ND1 HIS B -12 13.174 34.085 6.568 1.00 0.00 N ATOM 128 CD2 HIS B -12 11.951 35.286 7.921 1.00 0.00 C ATOM 129 CE1 HIS B -12 13.218 35.330 6.132 1.00 0.00 C ATOM 130 NE2 HIS B -12 12.483 36.078 6.934 1.00 0.00 N ATOM 0 H HIS B -12 9.864 33.605 9.259 1.00 0.00 H new ATOM 0 HA HIS B -12 10.736 31.901 7.044 1.00 0.00 H new ATOM 0 HB2 HIS B -12 12.170 32.955 9.517 1.00 0.00 H new ATOM 0 HB3 HIS B -12 12.926 32.042 8.226 1.00 0.00 H new ATOM 0 HD2 HIS B -12 11.307 35.610 8.725 1.00 0.00 H new ATOM 0 HE1 HIS B -12 13.763 35.678 5.267 1.00 0.00 H new ATOM 0 HE2 HIS B -12 12.334 37.082 6.836 1.00 0.00 H new ATOM 139 N HIS B -11 11.055 29.699 8.228 1.00 0.00 N ATOM 140 CA HIS B -11 10.974 28.375 8.837 1.00 0.00 C ATOM 141 C HIS B -11 12.321 27.665 8.778 1.00 0.00 C ATOM 142 O HIS B -11 13.037 27.753 7.779 1.00 0.00 O ATOM 143 CB HIS B -11 9.908 27.534 8.133 1.00 0.00 C ATOM 144 CG HIS B -11 8.534 28.122 8.203 1.00 0.00 C ATOM 145 ND1 HIS B -11 7.583 27.710 9.114 1.00 0.00 N ATOM 146 CD2 HIS B -11 7.949 29.097 7.468 1.00 0.00 C ATOM 147 CE1 HIS B -11 6.474 28.405 8.936 1.00 0.00 C ATOM 148 NE2 HIS B -11 6.670 29.254 7.943 1.00 0.00 N ATOM 0 H HIS B -11 11.453 29.708 7.289 1.00 0.00 H new ATOM 0 HA HIS B -11 10.697 28.499 9.884 1.00 0.00 H new ATOM 0 HB2 HIS B -11 10.188 27.411 7.087 1.00 0.00 H new ATOM 0 HB3 HIS B -11 9.891 26.539 8.578 1.00 0.00 H new ATOM 0 HD2 HIS B -11 8.404 29.649 6.659 1.00 0.00 H new ATOM 0 HE1 HIS B -11 5.562 28.298 9.505 1.00 0.00 H new ATOM 0 HE2 HIS B -11 5.983 29.918 7.587 1.00 0.00 H new ATOM 157 N SER B -10 12.661 26.963 9.854 1.00 0.00 N ATOM 158 CA SER B -10 13.923 26.235 9.924 1.00 0.00 C ATOM 159 C SER B -10 13.788 24.850 9.299 1.00 0.00 C ATOM 160 O SER B -10 14.785 24.203 8.981 1.00 0.00 O ATOM 161 CB SER B -10 14.383 26.108 11.379 1.00 0.00 C ATOM 162 OG SER B -10 13.428 25.407 12.157 1.00 0.00 O ATOM 0 H SER B -10 12.081 26.883 10.689 1.00 0.00 H new ATOM 0 HA SER B -10 14.669 26.797 9.362 1.00 0.00 H new ATOM 0 HB2 SER B -10 15.340 25.588 11.417 1.00 0.00 H new ATOM 0 HB3 SER B -10 14.543 27.100 11.801 1.00 0.00 H new ATOM 0 HG SER B -10 13.746 25.338 13.081 1.00 0.00 H new ATOM 168 N SER B -9 12.548 24.404 9.128 1.00 0.00 N ATOM 169 CA SER B -9 12.280 23.097 8.540 1.00 0.00 C ATOM 170 C SER B -9 12.250 23.182 7.017 1.00 0.00 C ATOM 171 O SER B -9 12.063 24.258 6.448 1.00 0.00 O ATOM 172 CB SER B -9 10.949 22.546 9.055 1.00 0.00 C ATOM 173 OG SER B -9 10.968 22.401 10.464 1.00 0.00 O ATOM 0 H SER B -9 11.713 24.929 9.388 1.00 0.00 H new ATOM 0 HA SER B -9 13.084 22.423 8.834 1.00 0.00 H new ATOM 0 HB2 SER B -9 10.139 23.215 8.766 1.00 0.00 H new ATOM 0 HB3 SER B -9 10.747 21.581 8.590 1.00 0.00 H new ATOM 0 HG SER B -9 10.106 22.049 10.768 1.00 0.00 H new ATOM 179 N GLY B -8 12.437 22.040 6.363 1.00 0.00 N ATOM 180 CA GLY B -8 12.430 22.005 4.910 1.00 0.00 C ATOM 181 C GLY B -8 13.740 21.504 4.335 1.00 0.00 C ATOM 182 O GLY B -8 13.859 20.331 3.983 1.00 0.00 O ATOM 0 H GLY B -8 12.593 21.138 6.812 1.00 0.00 H new ATOM 0 HA2 GLY B -8 11.618 21.363 4.569 1.00 0.00 H new ATOM 0 HA3 GLY B -8 12.228 23.005 4.527 1.00 0.00 H new ATOM 186 N LEU B -7 14.721 22.398 4.238 1.00 0.00 N ATOM 187 CA LEU B -7 16.033 22.046 3.702 1.00 0.00 C ATOM 188 C LEU B -7 15.918 21.499 2.282 1.00 0.00 C ATOM 189 O LEU B -7 14.844 21.532 1.679 1.00 0.00 O ATOM 190 CB LEU B -7 16.720 21.016 4.604 1.00 0.00 C ATOM 191 CG LEU B -7 16.941 21.467 6.050 1.00 0.00 C ATOM 192 CD1 LEU B -7 17.432 20.303 6.899 1.00 0.00 C ATOM 193 CD2 LEU B -7 17.927 22.624 6.105 1.00 0.00 C ATOM 0 H LEU B -7 14.632 23.373 4.524 1.00 0.00 H new ATOM 0 HA LEU B -7 16.636 22.953 3.673 1.00 0.00 H new ATOM 0 HB2 LEU B -7 16.122 20.105 4.611 1.00 0.00 H new ATOM 0 HB3 LEU B -7 17.685 20.760 4.168 1.00 0.00 H new ATOM 0 HG LEU B -7 15.989 21.811 6.454 1.00 0.00 H new ATOM 0 HD11 LEU B -7 17.585 20.640 7.924 1.00 0.00 H new ATOM 0 HD12 LEU B -7 16.690 19.505 6.886 1.00 0.00 H new ATOM 0 HD13 LEU B -7 18.374 19.930 6.496 1.00 0.00 H new ATOM 0 HD21 LEU B -7 18.071 22.930 7.141 1.00 0.00 H new ATOM 0 HD22 LEU B -7 18.882 22.309 5.684 1.00 0.00 H new ATOM 0 HD23 LEU B -7 17.536 23.463 5.530 1.00 0.00 H new ATOM 205 N VAL B -6 17.030 20.999 1.755 1.00 0.00 N ATOM 206 CA VAL B -6 17.054 20.444 0.406 1.00 0.00 C ATOM 207 C VAL B -6 17.808 19.112 0.371 1.00 0.00 C ATOM 208 O VAL B -6 19.027 19.079 0.202 1.00 0.00 O ATOM 209 CB VAL B -6 17.689 21.435 -0.596 1.00 0.00 C ATOM 210 CG1 VAL B -6 19.030 21.939 -0.085 1.00 0.00 C ATOM 211 CG2 VAL B -6 17.839 20.792 -1.969 1.00 0.00 C ATOM 0 H VAL B -6 17.926 20.966 2.241 1.00 0.00 H new ATOM 0 HA VAL B -6 16.020 20.267 0.110 1.00 0.00 H new ATOM 0 HB VAL B -6 17.022 22.292 -0.693 1.00 0.00 H new ATOM 0 HG11 VAL B -6 19.457 22.635 -0.808 1.00 0.00 H new ATOM 0 HG12 VAL B -6 18.888 22.448 0.868 1.00 0.00 H new ATOM 0 HG13 VAL B -6 19.708 21.096 0.051 1.00 0.00 H new ATOM 0 HG21 VAL B -6 18.288 21.507 -2.659 1.00 0.00 H new ATOM 0 HG22 VAL B -6 18.478 19.913 -1.891 1.00 0.00 H new ATOM 0 HG23 VAL B -6 16.858 20.496 -2.341 1.00 0.00 H new ATOM 221 N PRO B -5 17.088 17.986 0.544 1.00 0.00 N ATOM 222 CA PRO B -5 17.692 16.651 0.527 1.00 0.00 C ATOM 223 C PRO B -5 18.298 16.305 -0.830 1.00 0.00 C ATOM 224 O PRO B -5 18.317 17.134 -1.742 1.00 0.00 O ATOM 225 CB PRO B -5 16.521 15.709 0.839 1.00 0.00 C ATOM 226 CG PRO B -5 15.460 16.581 1.419 1.00 0.00 C ATOM 227 CD PRO B -5 15.637 17.925 0.778 1.00 0.00 C ATOM 0 HA PRO B -5 18.514 16.576 1.239 1.00 0.00 H new ATOM 0 HB2 PRO B -5 16.169 15.207 -0.062 1.00 0.00 H new ATOM 0 HB3 PRO B -5 16.818 14.931 1.542 1.00 0.00 H new ATOM 0 HG2 PRO B -5 14.468 16.178 1.214 1.00 0.00 H new ATOM 0 HG3 PRO B -5 15.559 16.649 2.502 1.00 0.00 H new ATOM 0 HD2 PRO B -5 15.074 18.007 -0.151 1.00 0.00 H new ATOM 0 HD3 PRO B -5 15.298 18.731 1.429 1.00 0.00 H new ATOM 235 N ARG B -4 18.789 15.078 -0.958 1.00 0.00 N ATOM 236 CA ARG B -4 19.394 14.618 -2.203 1.00 0.00 C ATOM 237 C ARG B -4 18.956 13.194 -2.527 1.00 0.00 C ATOM 238 O ARG B -4 18.772 12.372 -1.628 1.00 0.00 O ATOM 239 CB ARG B -4 20.922 14.690 -2.119 1.00 0.00 C ATOM 240 CG ARG B -4 21.530 13.759 -1.080 1.00 0.00 C ATOM 241 CD ARG B -4 21.352 14.296 0.332 1.00 0.00 C ATOM 242 NE ARG B -4 21.983 13.433 1.330 1.00 0.00 N ATOM 243 CZ ARG B -4 22.126 13.767 2.607 1.00 0.00 C ATOM 244 NH1 ARG B -4 21.687 14.941 3.044 1.00 0.00 N ATOM 245 NH2 ARG B -4 22.708 12.926 3.452 1.00 0.00 N ATOM 0 H ARG B -4 18.780 14.382 -0.213 1.00 0.00 H new ATOM 0 HA ARG B -4 19.054 15.275 -3.003 1.00 0.00 H new ATOM 0 HB2 ARG B -4 21.341 14.450 -3.096 1.00 0.00 H new ATOM 0 HB3 ARG B -4 21.215 15.714 -1.890 1.00 0.00 H new ATOM 0 HG2 ARG B -4 21.065 12.776 -1.156 1.00 0.00 H new ATOM 0 HG3 ARG B -4 22.592 13.627 -1.287 1.00 0.00 H new ATOM 0 HD2 ARG B -4 21.779 15.297 0.396 1.00 0.00 H new ATOM 0 HD3 ARG B -4 20.289 14.389 0.553 1.00 0.00 H new ATOM 0 HE ARG B -4 22.333 12.524 1.028 1.00 0.00 H new ATOM 0 HH11 ARG B -4 21.238 15.590 2.398 1.00 0.00 H new ATOM 0 HH12 ARG B -4 21.799 15.194 4.026 1.00 0.00 H new ATOM 0 HH21 ARG B -4 23.046 12.022 3.121 1.00 0.00 H new ATOM 0 HH22 ARG B -4 22.818 13.183 4.433 1.00 0.00 H new ATOM 259 N GLY B -3 18.790 12.909 -3.815 1.00 0.00 N ATOM 260 CA GLY B -3 18.374 11.583 -4.235 1.00 0.00 C ATOM 261 C GLY B -3 19.367 10.931 -5.176 1.00 0.00 C ATOM 262 O GLY B -3 19.650 11.458 -6.252 1.00 0.00 O ATOM 0 H GLY B -3 18.936 13.573 -4.575 1.00 0.00 H new ATOM 0 HA2 GLY B -3 18.244 10.952 -3.356 1.00 0.00 H new ATOM 0 HA3 GLY B -3 17.403 11.649 -4.726 1.00 0.00 H new ATOM 266 N SER B -2 19.898 9.782 -4.769 1.00 0.00 N ATOM 267 CA SER B -2 20.864 9.055 -5.584 1.00 0.00 C ATOM 268 C SER B -2 20.254 7.769 -6.132 1.00 0.00 C ATOM 269 O SER B -2 20.185 7.570 -7.345 1.00 0.00 O ATOM 270 CB SER B -2 22.114 8.730 -4.763 1.00 0.00 C ATOM 271 OG SER B -2 23.065 8.022 -5.538 1.00 0.00 O ATOM 0 H SER B -2 19.675 9.335 -3.880 1.00 0.00 H new ATOM 0 HA SER B -2 21.144 9.691 -6.424 1.00 0.00 H new ATOM 0 HB2 SER B -2 22.558 9.653 -4.391 1.00 0.00 H new ATOM 0 HB3 SER B -2 21.836 8.137 -3.892 1.00 0.00 H new ATOM 0 HG SER B -2 23.854 7.828 -4.990 1.00 0.00 H new ATOM 277 N HIS B -1 19.813 6.899 -5.229 1.00 0.00 N ATOM 278 CA HIS B -1 19.206 5.631 -5.619 1.00 0.00 C ATOM 279 C HIS B -1 18.257 5.129 -4.535 1.00 0.00 C ATOM 280 O HIS B -1 17.264 4.462 -4.827 1.00 0.00 O ATOM 281 CB HIS B -1 20.288 4.586 -5.893 1.00 0.00 C ATOM 282 CG HIS B -1 19.750 3.277 -6.382 1.00 0.00 C ATOM 283 ND1 HIS B -1 19.594 2.175 -5.567 1.00 0.00 N ATOM 284 CD2 HIS B -1 19.329 2.897 -7.611 1.00 0.00 C ATOM 285 CE1 HIS B -1 19.103 1.174 -6.276 1.00 0.00 C ATOM 286 NE2 HIS B -1 18.933 1.586 -7.518 1.00 0.00 N ATOM 0 H HIS B -1 19.865 7.049 -4.221 1.00 0.00 H new ATOM 0 HA HIS B -1 18.633 5.795 -6.532 1.00 0.00 H new ATOM 0 HB2 HIS B -1 20.984 4.982 -6.633 1.00 0.00 H new ATOM 0 HB3 HIS B -1 20.857 4.416 -4.979 1.00 0.00 H new ATOM 0 HD2 HIS B -1 19.308 3.511 -8.499 1.00 0.00 H new ATOM 0 HE1 HIS B -1 18.879 0.186 -5.902 1.00 0.00 H new ATOM 0 HE2 HIS B -1 18.567 1.022 -8.285 1.00 0.00 H new ATOM 295 N MET B 0 18.572 5.458 -3.284 1.00 0.00 N ATOM 296 CA MET B 0 17.754 5.046 -2.146 1.00 0.00 C ATOM 297 C MET B 0 17.642 3.527 -2.068 1.00 0.00 C ATOM 298 O MET B 0 16.847 2.914 -2.778 1.00 0.00 O ATOM 299 CB MET B 0 16.358 5.671 -2.232 1.00 0.00 C ATOM 300 CG MET B 0 16.345 7.174 -2.002 1.00 0.00 C ATOM 301 SD MET B 0 17.186 8.091 -3.306 1.00 0.00 S ATOM 302 CE MET B 0 16.144 7.715 -4.714 1.00 0.00 C ATOM 0 H MET B 0 19.391 6.011 -3.032 1.00 0.00 H new ATOM 0 HA MET B 0 18.245 5.400 -1.239 1.00 0.00 H new ATOM 0 HB2 MET B 0 15.935 5.459 -3.214 1.00 0.00 H new ATOM 0 HB3 MET B 0 15.710 5.194 -1.496 1.00 0.00 H new ATOM 0 HG2 MET B 0 15.313 7.517 -1.932 1.00 0.00 H new ATOM 0 HG3 MET B 0 16.820 7.394 -1.046 1.00 0.00 H new ATOM 0 HE1 MET B 0 16.694 7.089 -5.417 1.00 0.00 H new ATOM 0 HE2 MET B 0 15.254 7.185 -4.376 1.00 0.00 H new ATOM 0 HE3 MET B 0 15.850 8.642 -5.206 1.00 0.00 H new ATOM 312 N GLN B 1 18.449 2.927 -1.198 1.00 0.00 N ATOM 313 CA GLN B 1 18.444 1.480 -1.018 1.00 0.00 C ATOM 314 C GLN B 1 18.792 1.110 0.421 1.00 0.00 C ATOM 315 O GLN B 1 19.921 1.311 0.868 1.00 0.00 O ATOM 316 CB GLN B 1 19.426 0.821 -1.983 1.00 0.00 C ATOM 317 CG GLN B 1 20.775 1.500 -2.013 1.00 0.00 C ATOM 318 CD GLN B 1 21.751 0.837 -2.967 1.00 0.00 C ATOM 319 OE1 GLN B 1 22.962 0.850 -2.744 1.00 0.00 O ATOM 320 NE2 GLN B 1 21.230 0.257 -4.043 1.00 0.00 N ATOM 0 H GLN B 1 19.116 3.422 -0.606 1.00 0.00 H new ATOM 0 HA GLN B 1 17.440 1.115 -1.233 1.00 0.00 H new ATOM 0 HB2 GLN B 1 19.558 -0.223 -1.700 1.00 0.00 H new ATOM 0 HB3 GLN B 1 19.000 0.828 -2.986 1.00 0.00 H new ATOM 0 HG2 GLN B 1 20.644 2.543 -2.302 1.00 0.00 H new ATOM 0 HG3 GLN B 1 21.199 1.498 -1.009 1.00 0.00 H new ATOM 0 HE21 GLN B 1 20.221 0.269 -4.190 1.00 0.00 H new ATOM 0 HE22 GLN B 1 21.839 -0.200 -4.722 1.00 0.00 H new ATOM 329 N LYS B 2 17.815 0.570 1.144 1.00 0.00 N ATOM 330 CA LYS B 2 18.021 0.178 2.534 1.00 0.00 C ATOM 331 C LYS B 2 17.459 -1.204 2.813 1.00 0.00 C ATOM 332 O LYS B 2 16.490 -1.626 2.183 1.00 0.00 O ATOM 333 CB LYS B 2 17.382 1.199 3.478 1.00 0.00 C ATOM 334 CG LYS B 2 17.844 2.625 3.234 1.00 0.00 C ATOM 335 CD LYS B 2 19.321 2.796 3.543 1.00 0.00 C ATOM 336 CE LYS B 2 19.854 4.103 2.988 1.00 0.00 C ATOM 337 NZ LYS B 2 21.295 4.300 3.310 1.00 0.00 N ATOM 0 H LYS B 2 16.874 0.394 0.791 1.00 0.00 H new ATOM 0 HA LYS B 2 19.096 0.149 2.710 1.00 0.00 H new ATOM 0 HB2 LYS B 2 16.298 1.153 3.369 1.00 0.00 H new ATOM 0 HB3 LYS B 2 17.611 0.923 4.507 1.00 0.00 H new ATOM 0 HG2 LYS B 2 17.655 2.896 2.195 1.00 0.00 H new ATOM 0 HG3 LYS B 2 17.261 3.308 3.852 1.00 0.00 H new ATOM 0 HD2 LYS B 2 19.474 2.767 4.622 1.00 0.00 H new ATOM 0 HD3 LYS B 2 19.882 1.963 3.119 1.00 0.00 H new ATOM 0 HE2 LYS B 2 19.719 4.120 1.907 1.00 0.00 H new ATOM 0 HE3 LYS B 2 19.275 4.932 3.394 1.00 0.00 H new ATOM 0 HZ1 LYS B 2 21.619 5.205 2.912 1.00 0.00 H new ATOM 0 HZ2 LYS B 2 21.422 4.310 4.342 1.00 0.00 H new ATOM 0 HZ3 LYS B 2 21.852 3.523 2.900 1.00 0.00 H new ATOM 351 N PRO B 3 18.065 -1.929 3.768 1.00 0.00 N ATOM 352 CA PRO B 3 17.611 -3.259 4.147 1.00 0.00 C ATOM 353 C PRO B 3 16.146 -3.221 4.495 1.00 0.00 C ATOM 354 O PRO B 3 15.419 -4.194 4.323 1.00 0.00 O ATOM 355 CB PRO B 3 18.470 -3.584 5.370 1.00 0.00 C ATOM 356 CG PRO B 3 19.698 -2.781 5.173 1.00 0.00 C ATOM 357 CD PRO B 3 19.215 -1.500 4.579 1.00 0.00 C ATOM 0 HA PRO B 3 17.713 -4.004 3.357 1.00 0.00 H new ATOM 0 HB2 PRO B 3 17.962 -3.315 6.296 1.00 0.00 H new ATOM 0 HB3 PRO B 3 18.695 -4.649 5.427 1.00 0.00 H new ATOM 0 HG2 PRO B 3 20.216 -2.610 6.117 1.00 0.00 H new ATOM 0 HG3 PRO B 3 20.401 -3.286 4.510 1.00 0.00 H new ATOM 0 HD2 PRO B 3 18.924 -0.783 5.346 1.00 0.00 H new ATOM 0 HD3 PRO B 3 19.983 -1.022 3.971 1.00 0.00 H new ATOM 365 N VAL B 4 15.742 -2.059 4.982 1.00 0.00 N ATOM 366 CA VAL B 4 14.356 -1.795 5.356 1.00 0.00 C ATOM 367 C VAL B 4 14.067 -0.296 5.313 1.00 0.00 C ATOM 368 O VAL B 4 14.021 0.362 6.353 1.00 0.00 O ATOM 369 CB VAL B 4 13.997 -2.308 6.768 1.00 0.00 C ATOM 370 CG1 VAL B 4 12.486 -2.311 6.946 1.00 0.00 C ATOM 371 CG2 VAL B 4 14.568 -3.695 7.025 1.00 0.00 C ATOM 0 H VAL B 4 16.367 -1.267 5.131 1.00 0.00 H new ATOM 0 HA VAL B 4 13.748 -2.335 4.630 1.00 0.00 H new ATOM 0 HB VAL B 4 14.445 -1.633 7.498 1.00 0.00 H new ATOM 0 HG11 VAL B 4 12.238 -2.674 7.943 1.00 0.00 H new ATOM 0 HG12 VAL B 4 12.103 -1.298 6.823 1.00 0.00 H new ATOM 0 HG13 VAL B 4 12.033 -2.964 6.200 1.00 0.00 H new ATOM 0 HG21 VAL B 4 14.294 -4.021 8.028 1.00 0.00 H new ATOM 0 HG22 VAL B 4 14.166 -4.395 6.293 1.00 0.00 H new ATOM 0 HG23 VAL B 4 15.654 -3.663 6.938 1.00 0.00 H new ATOM 381 N VAL B 5 13.888 0.244 4.110 1.00 0.00 N ATOM 382 CA VAL B 5 13.597 1.663 3.953 1.00 0.00 C ATOM 383 C VAL B 5 12.372 2.050 4.774 1.00 0.00 C ATOM 384 O VAL B 5 11.241 1.763 4.387 1.00 0.00 O ATOM 385 CB VAL B 5 13.351 2.033 2.479 1.00 0.00 C ATOM 386 CG1 VAL B 5 13.016 3.510 2.358 1.00 0.00 C ATOM 387 CG2 VAL B 5 14.559 1.683 1.624 1.00 0.00 C ATOM 0 H VAL B 5 13.939 -0.278 3.235 1.00 0.00 H new ATOM 0 HA VAL B 5 14.469 2.211 4.309 1.00 0.00 H new ATOM 0 HB VAL B 5 12.503 1.453 2.114 1.00 0.00 H new ATOM 0 HG11 VAL B 5 12.844 3.760 1.311 1.00 0.00 H new ATOM 0 HG12 VAL B 5 12.117 3.728 2.935 1.00 0.00 H new ATOM 0 HG13 VAL B 5 13.846 4.104 2.741 1.00 0.00 H new ATOM 0 HG21 VAL B 5 14.361 1.954 0.587 1.00 0.00 H new ATOM 0 HG22 VAL B 5 15.430 2.232 1.983 1.00 0.00 H new ATOM 0 HG23 VAL B 5 14.753 0.612 1.689 1.00 0.00 H new ATOM 397 N THR B 6 12.604 2.706 5.904 1.00 0.00 N ATOM 398 CA THR B 6 11.519 3.119 6.781 1.00 0.00 C ATOM 399 C THR B 6 10.805 4.351 6.235 1.00 0.00 C ATOM 400 O THR B 6 11.343 5.071 5.394 1.00 0.00 O ATOM 401 CB THR B 6 12.036 3.422 8.198 1.00 0.00 C ATOM 402 OG1 THR B 6 13.116 2.540 8.526 1.00 0.00 O ATOM 403 CG2 THR B 6 10.922 3.257 9.218 1.00 0.00 C ATOM 0 H THR B 6 13.534 2.963 6.234 1.00 0.00 H new ATOM 0 HA THR B 6 10.813 2.290 6.827 1.00 0.00 H new ATOM 0 HB THR B 6 12.389 4.453 8.221 1.00 0.00 H new ATOM 0 HG1 THR B 6 13.440 2.741 9.429 1.00 0.00 H new ATOM 0 HG21 THR B 6 11.306 3.475 10.215 1.00 0.00 H new ATOM 0 HG22 THR B 6 10.109 3.944 8.984 1.00 0.00 H new ATOM 0 HG23 THR B 6 10.551 2.233 9.189 1.00 0.00 H new ATOM 411 N LEU B 7 9.590 4.586 6.721 1.00 0.00 N ATOM 412 CA LEU B 7 8.798 5.728 6.284 1.00 0.00 C ATOM 413 C LEU B 7 7.848 6.187 7.388 1.00 0.00 C ATOM 414 O LEU B 7 7.364 5.377 8.177 1.00 0.00 O ATOM 415 CB LEU B 7 8.002 5.371 5.025 1.00 0.00 C ATOM 416 CG LEU B 7 7.145 6.503 4.453 1.00 0.00 C ATOM 417 CD1 LEU B 7 8.020 7.668 4.013 1.00 0.00 C ATOM 418 CD2 LEU B 7 6.305 5.997 3.291 1.00 0.00 C ATOM 0 H LEU B 7 9.133 3.999 7.419 1.00 0.00 H new ATOM 0 HA LEU B 7 9.481 6.546 6.055 1.00 0.00 H new ATOM 0 HB2 LEU B 7 8.699 5.040 4.255 1.00 0.00 H new ATOM 0 HB3 LEU B 7 7.353 4.525 5.252 1.00 0.00 H new ATOM 0 HG LEU B 7 6.474 6.857 5.236 1.00 0.00 H new ATOM 0 HD11 LEU B 7 7.392 8.462 3.609 1.00 0.00 H new ATOM 0 HD12 LEU B 7 8.579 8.047 4.869 1.00 0.00 H new ATOM 0 HD13 LEU B 7 8.716 7.330 3.245 1.00 0.00 H new ATOM 0 HD21 LEU B 7 5.701 6.814 2.895 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.960 5.617 2.507 1.00 0.00 H new ATOM 0 HD23 LEU B 7 5.651 5.197 3.636 1.00 0.00 H new ATOM 430 N ASP B 8 7.589 7.488 7.435 1.00 0.00 N ATOM 431 CA ASP B 8 6.696 8.055 8.440 1.00 0.00 C ATOM 432 C ASP B 8 5.904 9.225 7.864 1.00 0.00 C ATOM 433 O ASP B 8 4.779 9.496 8.290 1.00 0.00 O ATOM 434 CB ASP B 8 7.496 8.518 9.660 1.00 0.00 C ATOM 435 CG ASP B 8 8.530 9.570 9.310 1.00 0.00 C ATOM 436 OD1 ASP B 8 9.674 9.192 8.982 1.00 0.00 O ATOM 437 OD2 ASP B 8 8.194 10.771 9.365 1.00 0.00 O ATOM 0 H ASP B 8 7.984 8.171 6.789 1.00 0.00 H new ATOM 0 HA ASP B 8 5.994 7.279 8.747 1.00 0.00 H new ATOM 0 HB2 ASP B 8 6.812 8.920 10.408 1.00 0.00 H new ATOM 0 HB3 ASP B 8 7.994 7.660 10.111 1.00 0.00 H new ATOM 442 N ASP B 9 6.496 9.913 6.895 1.00 0.00 N ATOM 443 CA ASP B 9 5.847 11.053 6.258 1.00 0.00 C ATOM 444 C ASP B 9 5.867 10.910 4.739 1.00 0.00 C ATOM 445 O ASP B 9 6.917 10.665 4.142 1.00 0.00 O ATOM 446 CB ASP B 9 6.538 12.355 6.668 1.00 0.00 C ATOM 447 CG ASP B 9 5.915 13.573 6.013 1.00 0.00 C ATOM 448 OD1 ASP B 9 6.377 13.963 4.920 1.00 0.00 O ATOM 449 OD2 ASP B 9 4.963 14.136 6.594 1.00 0.00 O ATOM 0 H ASP B 9 7.426 9.701 6.533 1.00 0.00 H new ATOM 0 HA ASP B 9 4.809 11.081 6.590 1.00 0.00 H new ATOM 0 HB2 ASP B 9 6.488 12.464 7.751 1.00 0.00 H new ATOM 0 HB3 ASP B 9 7.593 12.302 6.401 1.00 0.00 H new ATOM 454 N ALA B 10 4.700 11.063 4.119 1.00 0.00 N ATOM 455 CA ALA B 10 4.583 10.948 2.671 1.00 0.00 C ATOM 456 C ALA B 10 5.335 12.073 1.968 1.00 0.00 C ATOM 457 O ALA B 10 4.815 13.178 1.811 1.00 0.00 O ATOM 458 CB ALA B 10 3.120 10.949 2.258 1.00 0.00 C ATOM 0 H ALA B 10 3.823 11.267 4.598 1.00 0.00 H new ATOM 0 HA ALA B 10 5.033 10.002 2.369 1.00 0.00 H new ATOM 0 HB1 ALA B 10 3.048 10.863 1.174 1.00 0.00 H new ATOM 0 HB2 ALA B 10 2.610 10.106 2.724 1.00 0.00 H new ATOM 0 HB3 ALA B 10 2.652 11.879 2.580 1.00 0.00 H new ATOM 464 N ASP B 11 6.565 11.787 1.551 1.00 0.00 N ATOM 465 CA ASP B 11 7.391 12.770 0.864 1.00 0.00 C ATOM 466 C ASP B 11 8.064 12.158 -0.359 1.00 0.00 C ATOM 467 O ASP B 11 7.916 12.655 -1.476 1.00 0.00 O ATOM 468 CB ASP B 11 8.449 13.327 1.818 1.00 0.00 C ATOM 469 CG ASP B 11 9.246 14.460 1.203 1.00 0.00 C ATOM 470 OD1 ASP B 11 10.289 14.179 0.575 1.00 0.00 O ATOM 471 OD2 ASP B 11 8.828 15.628 1.347 1.00 0.00 O ATOM 0 H ASP B 11 7.011 10.879 1.678 1.00 0.00 H new ATOM 0 HA ASP B 11 6.746 13.582 0.530 1.00 0.00 H new ATOM 0 HB2 ASP B 11 7.963 13.681 2.728 1.00 0.00 H new ATOM 0 HB3 ASP B 11 9.128 12.526 2.110 1.00 0.00 H new ATOM 476 N ASP B 12 8.803 11.075 -0.140 1.00 0.00 N ATOM 477 CA ASP B 12 9.499 10.391 -1.224 1.00 0.00 C ATOM 478 C ASP B 12 8.530 9.550 -2.047 1.00 0.00 C ATOM 479 O ASP B 12 8.886 9.027 -3.103 1.00 0.00 O ATOM 480 CB ASP B 12 10.614 9.507 -0.662 1.00 0.00 C ATOM 481 CG ASP B 12 11.417 8.820 -1.749 1.00 0.00 C ATOM 482 OD1 ASP B 12 11.074 7.675 -2.107 1.00 0.00 O ATOM 483 OD2 ASP B 12 12.389 9.431 -2.243 1.00 0.00 O ATOM 0 H ASP B 12 8.935 10.652 0.779 1.00 0.00 H new ATOM 0 HA ASP B 12 9.938 11.146 -1.876 1.00 0.00 H new ATOM 0 HB2 ASP B 12 11.282 10.115 -0.051 1.00 0.00 H new ATOM 0 HB3 ASP B 12 10.179 8.753 -0.005 1.00 0.00 H new ATOM 488 N CYS B 13 7.301 9.425 -1.557 1.00 0.00 N ATOM 489 CA CYS B 13 6.275 8.648 -2.245 1.00 0.00 C ATOM 490 C CYS B 13 5.664 9.443 -3.393 1.00 0.00 C ATOM 491 O CYS B 13 4.844 10.334 -3.169 1.00 0.00 O ATOM 492 CB CYS B 13 5.174 8.239 -1.266 1.00 0.00 C ATOM 493 SG CYS B 13 5.723 7.131 0.069 1.00 0.00 S ATOM 0 H CYS B 13 6.990 9.852 -0.685 1.00 0.00 H new ATOM 0 HA CYS B 13 6.749 7.755 -2.652 1.00 0.00 H new ATOM 0 HB2 CYS B 13 4.748 9.139 -0.822 1.00 0.00 H new ATOM 0 HB3 CYS B 13 4.375 7.749 -1.822 1.00 0.00 H new ATOM 498 N SER B 14 6.061 9.114 -4.622 1.00 0.00 N ATOM 499 CA SER B 14 5.543 9.806 -5.799 1.00 0.00 C ATOM 500 C SER B 14 6.123 9.246 -7.101 1.00 0.00 C ATOM 501 O SER B 14 5.376 8.959 -8.036 1.00 0.00 O ATOM 502 CB SER B 14 5.832 11.305 -5.710 1.00 0.00 C ATOM 503 OG SER B 14 5.370 11.985 -6.862 1.00 0.00 O ATOM 0 H SER B 14 6.736 8.377 -4.827 1.00 0.00 H new ATOM 0 HA SER B 14 4.466 9.642 -5.815 1.00 0.00 H new ATOM 0 HB2 SER B 14 5.352 11.719 -4.823 1.00 0.00 H new ATOM 0 HB3 SER B 14 6.904 11.465 -5.596 1.00 0.00 H new ATOM 0 HG SER B 14 5.566 12.941 -6.778 1.00 0.00 H new ATOM 509 N PRO B 15 7.461 9.086 -7.193 1.00 0.00 N ATOM 510 CA PRO B 15 8.108 8.582 -8.406 1.00 0.00 C ATOM 511 C PRO B 15 8.125 7.057 -8.513 1.00 0.00 C ATOM 512 O PRO B 15 8.688 6.512 -9.463 1.00 0.00 O ATOM 513 CB PRO B 15 9.525 9.123 -8.274 1.00 0.00 C ATOM 514 CG PRO B 15 9.780 9.143 -6.804 1.00 0.00 C ATOM 515 CD PRO B 15 8.450 9.392 -6.138 1.00 0.00 C ATOM 0 HA PRO B 15 7.577 8.898 -9.304 1.00 0.00 H new ATOM 0 HB2 PRO B 15 10.243 8.488 -8.793 1.00 0.00 H new ATOM 0 HB3 PRO B 15 9.611 10.120 -8.706 1.00 0.00 H new ATOM 0 HG2 PRO B 15 10.208 8.197 -6.472 1.00 0.00 H new ATOM 0 HG3 PRO B 15 10.495 9.924 -6.546 1.00 0.00 H new ATOM 0 HD2 PRO B 15 8.314 8.753 -5.266 1.00 0.00 H new ATOM 0 HD3 PRO B 15 8.362 10.423 -5.795 1.00 0.00 H new ATOM 523 N LEU B 16 7.486 6.380 -7.554 1.00 0.00 N ATOM 524 CA LEU B 16 7.417 4.915 -7.529 1.00 0.00 C ATOM 525 C LEU B 16 8.728 4.266 -7.950 1.00 0.00 C ATOM 526 O LEU B 16 8.764 3.098 -8.329 1.00 0.00 O ATOM 527 CB LEU B 16 6.261 4.386 -8.397 1.00 0.00 C ATOM 528 CG LEU B 16 6.114 5.015 -9.781 1.00 0.00 C ATOM 529 CD1 LEU B 16 5.260 4.136 -10.682 1.00 0.00 C ATOM 530 CD2 LEU B 16 5.506 6.395 -9.658 1.00 0.00 C ATOM 0 H LEU B 16 7.004 6.830 -6.776 1.00 0.00 H new ATOM 0 HA LEU B 16 7.227 4.638 -6.492 1.00 0.00 H new ATOM 0 HB2 LEU B 16 6.390 3.311 -8.521 1.00 0.00 H new ATOM 0 HB3 LEU B 16 5.328 4.534 -7.853 1.00 0.00 H new ATOM 0 HG LEU B 16 7.103 5.103 -10.232 1.00 0.00 H new ATOM 0 HD11 LEU B 16 5.168 4.602 -11.663 1.00 0.00 H new ATOM 0 HD12 LEU B 16 5.730 3.158 -10.787 1.00 0.00 H new ATOM 0 HD13 LEU B 16 4.270 4.017 -10.242 1.00 0.00 H new ATOM 0 HD21 LEU B 16 5.404 6.837 -10.649 1.00 0.00 H new ATOM 0 HD22 LEU B 16 4.524 6.320 -9.192 1.00 0.00 H new ATOM 0 HD23 LEU B 16 6.151 7.024 -9.045 1.00 0.00 H new ATOM 542 N LYS B 17 9.800 5.029 -7.875 1.00 0.00 N ATOM 543 CA LYS B 17 11.120 4.524 -8.230 1.00 0.00 C ATOM 544 C LYS B 17 11.694 3.681 -7.093 1.00 0.00 C ATOM 545 O LYS B 17 12.128 4.207 -6.068 1.00 0.00 O ATOM 546 CB LYS B 17 12.061 5.681 -8.566 1.00 0.00 C ATOM 547 CG LYS B 17 12.254 6.665 -7.425 1.00 0.00 C ATOM 548 CD LYS B 17 12.825 7.979 -7.918 1.00 0.00 C ATOM 549 CE LYS B 17 13.229 8.882 -6.765 1.00 0.00 C ATOM 550 NZ LYS B 17 13.795 10.175 -7.242 1.00 0.00 N ATOM 0 H LYS B 17 9.787 6.003 -7.572 1.00 0.00 H new ATOM 0 HA LYS B 17 11.022 3.891 -9.112 1.00 0.00 H new ATOM 0 HB2 LYS B 17 13.032 5.276 -8.852 1.00 0.00 H new ATOM 0 HB3 LYS B 17 11.670 6.215 -9.432 1.00 0.00 H new ATOM 0 HG2 LYS B 17 11.299 6.844 -6.932 1.00 0.00 H new ATOM 0 HG3 LYS B 17 12.922 6.233 -6.679 1.00 0.00 H new ATOM 0 HD2 LYS B 17 13.692 7.785 -8.550 1.00 0.00 H new ATOM 0 HD3 LYS B 17 12.086 8.488 -8.537 1.00 0.00 H new ATOM 0 HE2 LYS B 17 12.361 9.076 -6.135 1.00 0.00 H new ATOM 0 HE3 LYS B 17 13.965 8.371 -6.144 1.00 0.00 H new ATOM 0 HZ1 LYS B 17 14.058 10.762 -6.424 1.00 0.00 H new ATOM 0 HZ2 LYS B 17 14.638 9.992 -7.822 1.00 0.00 H new ATOM 0 HZ3 LYS B 17 13.084 10.676 -7.813 1.00 0.00 H new ATOM 564 N LEU B 18 11.689 2.363 -7.277 1.00 0.00 N ATOM 565 CA LEU B 18 12.206 1.453 -6.259 1.00 0.00 C ATOM 566 C LEU B 18 13.248 0.501 -6.827 1.00 0.00 C ATOM 567 O LEU B 18 13.724 0.677 -7.950 1.00 0.00 O ATOM 568 CB LEU B 18 11.070 0.646 -5.639 1.00 0.00 C ATOM 569 CG LEU B 18 10.636 1.106 -4.255 1.00 0.00 C ATOM 570 CD1 LEU B 18 11.808 1.088 -3.283 1.00 0.00 C ATOM 571 CD2 LEU B 18 10.007 2.492 -4.319 1.00 0.00 C ATOM 0 H LEU B 18 11.335 1.904 -8.116 1.00 0.00 H new ATOM 0 HA LEU B 18 12.683 2.065 -5.494 1.00 0.00 H new ATOM 0 HB2 LEU B 18 10.209 0.687 -6.306 1.00 0.00 H new ATOM 0 HB3 LEU B 18 11.377 -0.398 -5.579 1.00 0.00 H new ATOM 0 HG LEU B 18 9.884 0.408 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU B 18 11.472 1.421 -2.301 1.00 0.00 H new ATOM 0 HD12 LEU B 18 12.202 0.075 -3.207 1.00 0.00 H new ATOM 0 HD13 LEU B 18 12.590 1.756 -3.644 1.00 0.00 H new ATOM 0 HD21 LEU B 18 9.704 2.801 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU B 18 10.733 3.203 -4.714 1.00 0.00 H new ATOM 0 HD23 LEU B 18 9.133 2.465 -4.970 1.00 0.00 H new ATOM 583 N THR B 19 13.586 -0.515 -6.037 1.00 0.00 N ATOM 584 CA THR B 19 14.576 -1.509 -6.435 1.00 0.00 C ATOM 585 C THR B 19 14.517 -2.730 -5.521 1.00 0.00 C ATOM 586 O THR B 19 14.296 -2.603 -4.316 1.00 0.00 O ATOM 587 CB THR B 19 16.009 -0.930 -6.400 1.00 0.00 C ATOM 588 OG1 THR B 19 16.099 0.222 -7.243 1.00 0.00 O ATOM 589 CG2 THR B 19 17.025 -1.970 -6.849 1.00 0.00 C ATOM 0 H THR B 19 13.185 -0.671 -5.112 1.00 0.00 H new ATOM 0 HA THR B 19 14.337 -1.802 -7.457 1.00 0.00 H new ATOM 0 HB THR B 19 16.231 -0.644 -5.372 1.00 0.00 H new ATOM 0 HG1 THR B 19 15.315 0.260 -7.830 1.00 0.00 H new ATOM 0 HG21 THR B 19 18.026 -1.539 -6.816 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.980 -2.833 -6.185 1.00 0.00 H new ATOM 0 HG23 THR B 19 16.799 -2.284 -7.868 1.00 0.00 H new ATOM 597 N GLN B 20 14.717 -3.910 -6.099 1.00 0.00 N ATOM 598 CA GLN B 20 14.691 -5.152 -5.333 1.00 0.00 C ATOM 599 C GLN B 20 15.854 -5.207 -4.351 1.00 0.00 C ATOM 600 O GLN B 20 17.003 -4.959 -4.718 1.00 0.00 O ATOM 601 CB GLN B 20 14.743 -6.362 -6.270 1.00 0.00 C ATOM 602 CG GLN B 20 13.517 -6.506 -7.155 1.00 0.00 C ATOM 603 CD GLN B 20 13.563 -7.753 -8.016 1.00 0.00 C ATOM 604 OE1 GLN B 20 14.639 -8.231 -8.378 1.00 0.00 O ATOM 605 NE2 GLN B 20 12.394 -8.287 -8.348 1.00 0.00 N ATOM 0 H GLN B 20 14.899 -4.033 -7.095 1.00 0.00 H new ATOM 0 HA GLN B 20 13.758 -5.180 -4.770 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.628 -6.283 -6.901 1.00 0.00 H new ATOM 0 HB3 GLN B 20 14.857 -7.267 -5.673 1.00 0.00 H new ATOM 0 HG2 GLN B 20 12.624 -6.533 -6.531 1.00 0.00 H new ATOM 0 HG3 GLN B 20 13.431 -5.629 -7.796 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.527 -7.857 -8.026 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.363 -9.127 -8.926 1.00 0.00 H new ATOM 614 N GLY B 21 15.549 -5.534 -3.099 1.00 0.00 N ATOM 615 CA GLY B 21 16.578 -5.617 -2.079 1.00 0.00 C ATOM 616 C GLY B 21 16.365 -4.620 -0.959 1.00 0.00 C ATOM 617 O GLY B 21 17.290 -4.316 -0.203 1.00 0.00 O ATOM 0 H GLY B 21 14.606 -5.743 -2.772 1.00 0.00 H new ATOM 0 HA2 GLY B 21 16.595 -6.625 -1.665 1.00 0.00 H new ATOM 0 HA3 GLY B 21 17.553 -5.443 -2.535 1.00 0.00 H new ATOM 621 N GLN B 22 15.143 -4.110 -0.852 1.00 0.00 N ATOM 622 CA GLN B 22 14.803 -3.143 0.181 1.00 0.00 C ATOM 623 C GLN B 22 13.519 -3.549 0.893 1.00 0.00 C ATOM 624 O GLN B 22 12.613 -4.117 0.281 1.00 0.00 O ATOM 625 CB GLN B 22 14.636 -1.757 -0.438 1.00 0.00 C ATOM 626 CG GLN B 22 15.865 -1.270 -1.188 1.00 0.00 C ATOM 627 CD GLN B 22 15.562 -0.105 -2.109 1.00 0.00 C ATOM 628 OE1 GLN B 22 16.235 0.093 -3.121 1.00 0.00 O ATOM 629 NE2 GLN B 22 14.538 0.667 -1.768 1.00 0.00 N ATOM 0 H GLN B 22 14.370 -4.352 -1.471 1.00 0.00 H new ATOM 0 HA GLN B 22 15.612 -3.117 0.911 1.00 0.00 H new ATOM 0 HB2 GLN B 22 13.787 -1.774 -1.122 1.00 0.00 H new ATOM 0 HB3 GLN B 22 14.396 -1.043 0.350 1.00 0.00 H new ATOM 0 HG2 GLN B 22 16.629 -0.972 -0.471 1.00 0.00 H new ATOM 0 HG3 GLN B 22 16.279 -2.092 -1.772 1.00 0.00 H new ATOM 0 HE21 GLN B 22 14.008 0.466 -0.920 1.00 0.00 H new ATOM 0 HE22 GLN B 22 14.281 1.462 -2.354 1.00 0.00 H new ATOM 638 N GLU B 23 13.442 -3.256 2.185 1.00 0.00 N ATOM 639 CA GLU B 23 12.250 -3.597 2.968 1.00 0.00 C ATOM 640 C GLU B 23 11.580 -2.348 3.519 1.00 0.00 C ATOM 641 O GLU B 23 11.990 -1.229 3.217 1.00 0.00 O ATOM 642 CB GLU B 23 12.594 -4.536 4.126 1.00 0.00 C ATOM 643 CG GLU B 23 13.085 -5.902 3.686 1.00 0.00 C ATOM 644 CD GLU B 23 13.513 -6.774 4.850 1.00 0.00 C ATOM 645 OE1 GLU B 23 12.657 -7.510 5.384 1.00 0.00 O ATOM 646 OE2 GLU B 23 14.701 -6.719 5.228 1.00 0.00 O ATOM 0 H GLU B 23 14.179 -2.788 2.713 1.00 0.00 H new ATOM 0 HA GLU B 23 11.561 -4.105 2.293 1.00 0.00 H new ATOM 0 HB2 GLU B 23 13.359 -4.068 4.745 1.00 0.00 H new ATOM 0 HB3 GLU B 23 11.711 -4.663 4.752 1.00 0.00 H new ATOM 0 HG2 GLU B 23 12.294 -6.406 3.131 1.00 0.00 H new ATOM 0 HG3 GLU B 23 13.925 -5.779 3.002 1.00 0.00 H new ATOM 653 N LEU B 24 10.538 -2.546 4.321 1.00 0.00 N ATOM 654 CA LEU B 24 9.828 -1.426 4.925 1.00 0.00 C ATOM 655 C LEU B 24 8.936 -1.885 6.073 1.00 0.00 C ATOM 656 O LEU B 24 8.302 -2.937 6.003 1.00 0.00 O ATOM 657 CB LEU B 24 8.990 -0.695 3.875 1.00 0.00 C ATOM 658 CG LEU B 24 8.488 0.683 4.307 1.00 0.00 C ATOM 659 CD1 LEU B 24 8.360 1.606 3.106 1.00 0.00 C ATOM 660 CD2 LEU B 24 7.160 0.568 5.041 1.00 0.00 C ATOM 0 H LEU B 24 10.169 -3.465 4.566 1.00 0.00 H new ATOM 0 HA LEU B 24 10.575 -0.742 5.328 1.00 0.00 H new ATOM 0 HB2 LEU B 24 9.585 -0.583 2.969 1.00 0.00 H new ATOM 0 HB3 LEU B 24 8.132 -1.316 3.618 1.00 0.00 H new ATOM 0 HG LEU B 24 9.218 1.113 4.993 1.00 0.00 H new ATOM 0 HD11 LEU B 24 8.001 2.582 3.434 1.00 0.00 H new ATOM 0 HD12 LEU B 24 9.333 1.719 2.628 1.00 0.00 H new ATOM 0 HD13 LEU B 24 7.653 1.180 2.394 1.00 0.00 H new ATOM 0 HD21 LEU B 24 6.822 1.560 5.339 1.00 0.00 H new ATOM 0 HD22 LEU B 24 6.419 0.114 4.383 1.00 0.00 H new ATOM 0 HD23 LEU B 24 7.287 -0.053 5.927 1.00 0.00 H new ATOM 672 N VAL B 25 8.897 -1.080 7.132 1.00 0.00 N ATOM 673 CA VAL B 25 8.081 -1.381 8.301 1.00 0.00 C ATOM 674 C VAL B 25 7.313 -0.141 8.752 1.00 0.00 C ATOM 675 O VAL B 25 7.834 0.684 9.504 1.00 0.00 O ATOM 676 CB VAL B 25 8.938 -1.900 9.473 1.00 0.00 C ATOM 677 CG1 VAL B 25 8.065 -2.217 10.680 1.00 0.00 C ATOM 678 CG2 VAL B 25 9.736 -3.122 9.050 1.00 0.00 C ATOM 0 H VAL B 25 9.425 -0.210 7.203 1.00 0.00 H new ATOM 0 HA VAL B 25 7.379 -2.163 8.011 1.00 0.00 H new ATOM 0 HB VAL B 25 9.639 -1.116 9.759 1.00 0.00 H new ATOM 0 HG11 VAL B 25 8.690 -2.582 11.495 1.00 0.00 H new ATOM 0 HG12 VAL B 25 7.543 -1.315 10.998 1.00 0.00 H new ATOM 0 HG13 VAL B 25 7.336 -2.982 10.411 1.00 0.00 H new ATOM 0 HG21 VAL B 25 10.335 -3.474 9.890 1.00 0.00 H new ATOM 0 HG22 VAL B 25 9.053 -3.911 8.735 1.00 0.00 H new ATOM 0 HG23 VAL B 25 10.393 -2.858 8.221 1.00 0.00 H new ATOM 688 N LEU B 26 6.076 -0.013 8.282 1.00 0.00 N ATOM 689 CA LEU B 26 5.240 1.131 8.630 1.00 0.00 C ATOM 690 C LEU B 26 4.588 0.942 9.996 1.00 0.00 C ATOM 691 O LEU B 26 4.252 -0.176 10.386 1.00 0.00 O ATOM 692 CB LEU B 26 4.164 1.345 7.563 1.00 0.00 C ATOM 693 CG LEU B 26 3.246 2.547 7.795 1.00 0.00 C ATOM 694 CD1 LEU B 26 4.040 3.844 7.755 1.00 0.00 C ATOM 695 CD2 LEU B 26 2.130 2.573 6.762 1.00 0.00 C ATOM 0 H LEU B 26 5.630 -0.687 7.659 1.00 0.00 H new ATOM 0 HA LEU B 26 5.880 2.012 8.676 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.653 1.463 6.596 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.551 0.446 7.503 1.00 0.00 H new ATOM 0 HG LEU B 26 2.798 2.450 8.784 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.369 4.687 7.922 1.00 0.00 H new ATOM 0 HD12 LEU B 26 4.803 3.828 8.533 1.00 0.00 H new ATOM 0 HD13 LEU B 26 4.518 3.948 6.781 1.00 0.00 H new ATOM 0 HD21 LEU B 26 1.487 3.434 6.943 1.00 0.00 H new ATOM 0 HD22 LEU B 26 2.560 2.644 5.763 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.542 1.659 6.839 1.00 0.00 H new ATOM 707 N THR B 27 4.414 2.045 10.716 1.00 0.00 N ATOM 708 CA THR B 27 3.800 2.010 12.040 1.00 0.00 C ATOM 709 C THR B 27 3.159 3.353 12.378 1.00 0.00 C ATOM 710 O THR B 27 3.850 4.310 12.728 1.00 0.00 O ATOM 711 CB THR B 27 4.831 1.654 13.128 1.00 0.00 C ATOM 712 OG1 THR B 27 5.453 0.401 12.825 1.00 0.00 O ATOM 713 CG2 THR B 27 4.170 1.580 14.498 1.00 0.00 C ATOM 0 H THR B 27 4.690 2.976 10.405 1.00 0.00 H new ATOM 0 HA THR B 27 3.031 1.238 12.016 1.00 0.00 H new ATOM 0 HB THR B 27 5.588 2.438 13.149 1.00 0.00 H new ATOM 0 HG1 THR B 27 6.108 0.184 13.521 1.00 0.00 H new ATOM 0 HG21 THR B 27 4.918 1.327 15.250 1.00 0.00 H new ATOM 0 HG22 THR B 27 3.724 2.545 14.740 1.00 0.00 H new ATOM 0 HG23 THR B 27 3.394 0.815 14.487 1.00 0.00 H new ATOM 721 N LEU B 28 1.836 3.415 12.269 1.00 0.00 N ATOM 722 CA LEU B 28 1.102 4.642 12.562 1.00 0.00 C ATOM 723 C LEU B 28 0.356 4.527 13.891 1.00 0.00 C ATOM 724 O LEU B 28 -0.070 3.438 14.278 1.00 0.00 O ATOM 725 CB LEU B 28 0.116 4.952 11.435 1.00 0.00 C ATOM 726 CG LEU B 28 0.745 5.151 10.052 1.00 0.00 C ATOM 727 CD1 LEU B 28 -0.333 5.351 8.999 1.00 0.00 C ATOM 728 CD2 LEU B 28 1.706 6.331 10.066 1.00 0.00 C ATOM 0 H LEU B 28 1.250 2.631 11.980 1.00 0.00 H new ATOM 0 HA LEU B 28 1.822 5.457 12.640 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -0.608 4.139 11.373 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -0.438 5.853 11.697 1.00 0.00 H new ATOM 0 HG LEU B 28 1.309 4.253 9.799 1.00 0.00 H new ATOM 0 HD11 LEU B 28 0.133 5.491 8.023 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -0.980 4.474 8.970 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -0.926 6.231 9.248 1.00 0.00 H new ATOM 0 HD21 LEU B 28 2.143 6.456 9.075 1.00 0.00 H new ATOM 0 HD22 LEU B 28 1.166 7.237 10.342 1.00 0.00 H new ATOM 0 HD23 LEU B 28 2.499 6.146 10.791 1.00 0.00 H new ATOM 740 N PRO B 29 0.186 5.654 14.609 1.00 0.00 N ATOM 741 CA PRO B 29 -0.510 5.671 15.897 1.00 0.00 C ATOM 742 C PRO B 29 -2.028 5.659 15.737 1.00 0.00 C ATOM 743 O PRO B 29 -2.585 6.417 14.943 1.00 0.00 O ATOM 744 CB PRO B 29 -0.049 6.990 16.511 1.00 0.00 C ATOM 745 CG PRO B 29 0.181 7.883 15.345 1.00 0.00 C ATOM 746 CD PRO B 29 0.663 6.999 14.225 1.00 0.00 C ATOM 0 HA PRO B 29 -0.284 4.793 16.502 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -0.803 7.400 17.182 1.00 0.00 H new ATOM 0 HB3 PRO B 29 0.861 6.859 17.096 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -0.736 8.401 15.065 1.00 0.00 H new ATOM 0 HG3 PRO B 29 0.920 8.649 15.581 1.00 0.00 H new ATOM 0 HD2 PRO B 29 0.252 7.310 13.264 1.00 0.00 H new ATOM 0 HD3 PRO B 29 1.749 7.027 14.132 1.00 0.00 H new ATOM 754 N SER B 30 -2.689 4.790 16.495 1.00 0.00 N ATOM 755 CA SER B 30 -4.143 4.680 16.441 1.00 0.00 C ATOM 756 C SER B 30 -4.726 4.485 17.836 1.00 0.00 C ATOM 757 O SER B 30 -3.992 4.439 18.825 1.00 0.00 O ATOM 758 CB SER B 30 -4.552 3.516 15.536 1.00 0.00 C ATOM 759 OG SER B 30 -4.014 2.291 16.002 1.00 0.00 O ATOM 0 H SER B 30 -2.242 4.152 17.153 1.00 0.00 H new ATOM 0 HA SER B 30 -4.539 5.608 16.029 1.00 0.00 H new ATOM 0 HB2 SER B 30 -5.639 3.447 15.497 1.00 0.00 H new ATOM 0 HB3 SER B 30 -4.207 3.704 14.519 1.00 0.00 H new ATOM 0 HG SER B 30 -3.420 2.463 16.762 1.00 0.00 H new ATOM 765 N ASN B 31 -6.048 4.369 17.910 1.00 0.00 N ATOM 766 CA ASN B 31 -6.728 4.180 19.186 1.00 0.00 C ATOM 767 C ASN B 31 -7.891 3.198 19.041 1.00 0.00 C ATOM 768 O ASN B 31 -8.988 3.582 18.635 1.00 0.00 O ATOM 769 CB ASN B 31 -7.242 5.520 19.718 1.00 0.00 C ATOM 770 CG ASN B 31 -7.896 5.391 21.080 1.00 0.00 C ATOM 771 OD1 ASN B 31 -7.534 4.522 21.875 1.00 0.00 O ATOM 772 ND2 ASN B 31 -8.861 6.259 21.359 1.00 0.00 N ATOM 0 H ASN B 31 -6.669 4.403 17.102 1.00 0.00 H new ATOM 0 HA ASN B 31 -6.010 3.767 19.895 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -6.413 6.224 19.782 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -7.960 5.937 19.012 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -9.335 6.222 22.262 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -9.129 6.962 20.671 1.00 0.00 H new ATOM 779 N PRO B 32 -7.666 1.910 19.367 1.00 0.00 N ATOM 780 CA PRO B 32 -8.706 0.879 19.271 1.00 0.00 C ATOM 781 C PRO B 32 -9.928 1.210 20.121 1.00 0.00 C ATOM 782 O PRO B 32 -11.013 0.671 19.902 1.00 0.00 O ATOM 783 CB PRO B 32 -8.017 -0.385 19.799 1.00 0.00 C ATOM 784 CG PRO B 32 -6.559 -0.121 19.645 1.00 0.00 C ATOM 785 CD PRO B 32 -6.386 1.357 19.847 1.00 0.00 C ATOM 0 HA PRO B 32 -9.082 0.779 18.253 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -8.277 -0.570 20.841 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -8.321 -1.266 19.233 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -5.980 -0.686 20.376 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -6.209 -0.424 18.658 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -6.207 1.603 20.894 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -5.540 1.746 19.279 1.00 0.00 H new ATOM 793 N THR B 33 -9.744 2.100 21.092 1.00 0.00 N ATOM 794 CA THR B 33 -10.829 2.505 21.976 1.00 0.00 C ATOM 795 C THR B 33 -11.978 3.125 21.186 1.00 0.00 C ATOM 796 O THR B 33 -13.145 2.973 21.547 1.00 0.00 O ATOM 797 CB THR B 33 -10.343 3.511 23.037 1.00 0.00 C ATOM 798 OG1 THR B 33 -9.242 2.960 23.767 1.00 0.00 O ATOM 799 CG2 THR B 33 -11.465 3.872 24.000 1.00 0.00 C ATOM 0 H THR B 33 -8.852 2.554 21.286 1.00 0.00 H new ATOM 0 HA THR B 33 -11.183 1.605 22.478 1.00 0.00 H new ATOM 0 HB THR B 33 -10.022 4.417 22.523 1.00 0.00 H new ATOM 0 HG1 THR B 33 -8.400 3.262 23.366 1.00 0.00 H new ATOM 0 HG21 THR B 33 -11.096 4.583 24.739 1.00 0.00 H new ATOM 0 HG22 THR B 33 -12.290 4.320 23.446 1.00 0.00 H new ATOM 0 HG23 THR B 33 -11.814 2.972 24.506 1.00 0.00 H new ATOM 807 N THR B 34 -11.638 3.823 20.108 1.00 0.00 N ATOM 808 CA THR B 34 -12.641 4.466 19.269 1.00 0.00 C ATOM 809 C THR B 34 -13.270 3.470 18.298 1.00 0.00 C ATOM 810 O THR B 34 -14.468 3.194 18.371 1.00 0.00 O ATOM 811 CB THR B 34 -12.040 5.637 18.467 1.00 0.00 C ATOM 812 OG1 THR B 34 -10.972 5.168 17.635 1.00 0.00 O ATOM 813 CG2 THR B 34 -11.522 6.721 19.399 1.00 0.00 C ATOM 0 H THR B 34 -10.676 3.958 19.795 1.00 0.00 H new ATOM 0 HA THR B 34 -13.410 4.851 19.939 1.00 0.00 H new ATOM 0 HB THR B 34 -12.827 6.060 17.842 1.00 0.00 H new ATOM 0 HG1 THR B 34 -10.287 4.741 18.191 1.00 0.00 H new ATOM 0 HG21 THR B 34 -11.103 7.537 18.810 1.00 0.00 H new ATOM 0 HG22 THR B 34 -12.342 7.098 20.010 1.00 0.00 H new ATOM 0 HG23 THR B 34 -10.749 6.306 20.046 1.00 0.00 H new ATOM 821 N GLY B 35 -12.456 2.932 17.398 1.00 0.00 N ATOM 822 CA GLY B 35 -12.950 1.974 16.428 1.00 0.00 C ATOM 823 C GLY B 35 -12.416 2.246 15.038 1.00 0.00 C ATOM 824 O GLY B 35 -12.339 1.342 14.205 1.00 0.00 O ATOM 0 H GLY B 35 -11.461 3.143 17.323 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -12.665 0.968 16.735 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -14.039 2.005 16.410 1.00 0.00 H new ATOM 828 N PHE B 36 -12.045 3.498 14.791 1.00 0.00 N ATOM 829 CA PHE B 36 -11.512 3.896 13.499 1.00 0.00 C ATOM 830 C PHE B 36 -10.062 3.452 13.348 1.00 0.00 C ATOM 831 O PHE B 36 -9.148 4.098 13.855 1.00 0.00 O ATOM 832 CB PHE B 36 -11.609 5.409 13.338 1.00 0.00 C ATOM 833 CG PHE B 36 -13.018 5.926 13.301 1.00 0.00 C ATOM 834 CD1 PHE B 36 -13.717 6.159 14.475 1.00 0.00 C ATOM 835 CD2 PHE B 36 -13.645 6.181 12.091 1.00 0.00 C ATOM 836 CE1 PHE B 36 -15.013 6.635 14.445 1.00 0.00 C ATOM 837 CE2 PHE B 36 -14.943 6.657 12.054 1.00 0.00 C ATOM 838 CZ PHE B 36 -15.627 6.885 13.233 1.00 0.00 C ATOM 0 H PHE B 36 -12.105 4.254 15.473 1.00 0.00 H new ATOM 0 HA PHE B 36 -12.103 3.411 12.722 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -11.078 5.887 14.161 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -11.101 5.700 12.419 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -13.242 5.966 15.425 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -13.114 6.006 11.167 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -15.546 6.812 15.368 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -15.421 6.850 11.105 1.00 0.00 H new ATOM 0 HZ PHE B 36 -16.640 7.258 13.207 1.00 0.00 H new ATOM 848 N ARG B 37 -9.868 2.335 12.665 1.00 0.00 N ATOM 849 CA ARG B 37 -8.533 1.799 12.428 1.00 0.00 C ATOM 850 C ARG B 37 -8.046 2.144 11.026 1.00 0.00 C ATOM 851 O ARG B 37 -8.558 3.066 10.390 1.00 0.00 O ATOM 852 CB ARG B 37 -8.517 0.281 12.612 1.00 0.00 C ATOM 853 CG ARG B 37 -8.294 -0.161 14.048 1.00 0.00 C ATOM 854 CD ARG B 37 -9.550 0.003 14.890 1.00 0.00 C ATOM 855 NE ARG B 37 -10.602 -0.924 14.483 1.00 0.00 N ATOM 856 CZ ARG B 37 -11.415 -1.539 15.338 1.00 0.00 C ATOM 857 NH1 ARG B 37 -11.304 -1.316 16.641 1.00 0.00 N ATOM 858 NH2 ARG B 37 -12.340 -2.376 14.891 1.00 0.00 N ATOM 0 H ARG B 37 -10.621 1.778 12.262 1.00 0.00 H new ATOM 0 HA ARG B 37 -7.863 2.255 13.157 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -9.463 -0.128 12.259 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -7.733 -0.143 11.985 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -7.980 -1.205 14.063 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -7.484 0.422 14.486 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -9.307 -0.161 15.940 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -9.914 1.027 14.803 1.00 0.00 H new ATOM 0 HE ARG B 37 -10.720 -1.111 13.487 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -10.594 -0.672 16.989 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -11.929 -1.789 17.294 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -12.430 -2.550 13.890 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -12.962 -2.847 15.548 1.00 0.00 H new ATOM 872 N TRP B 38 -7.057 1.394 10.550 1.00 0.00 N ATOM 873 CA TRP B 38 -6.501 1.618 9.223 1.00 0.00 C ATOM 874 C TRP B 38 -6.775 0.425 8.312 1.00 0.00 C ATOM 875 O TRP B 38 -6.528 -0.723 8.686 1.00 0.00 O ATOM 876 CB TRP B 38 -4.996 1.881 9.307 1.00 0.00 C ATOM 877 CG TRP B 38 -4.645 3.111 10.087 1.00 0.00 C ATOM 878 CD1 TRP B 38 -4.395 3.184 11.425 1.00 0.00 C ATOM 879 CD2 TRP B 38 -4.506 4.442 9.577 1.00 0.00 C ATOM 880 NE1 TRP B 38 -4.111 4.480 11.781 1.00 0.00 N ATOM 881 CE2 TRP B 38 -4.172 5.272 10.664 1.00 0.00 C ATOM 882 CE3 TRP B 38 -4.631 5.015 8.307 1.00 0.00 C ATOM 883 CZ2 TRP B 38 -3.964 6.642 10.520 1.00 0.00 C ATOM 884 CZ3 TRP B 38 -4.425 6.375 8.166 1.00 0.00 C ATOM 885 CH2 TRP B 38 -4.093 7.176 9.266 1.00 0.00 C ATOM 0 H TRP B 38 -6.625 0.626 11.064 1.00 0.00 H new ATOM 0 HA TRP B 38 -6.987 2.497 8.798 1.00 0.00 H new ATOM 0 HB2 TRP B 38 -4.510 1.019 9.765 1.00 0.00 H new ATOM 0 HB3 TRP B 38 -4.595 1.974 8.298 1.00 0.00 H new ATOM 0 HD1 TRP B 38 -4.417 2.346 12.106 1.00 0.00 H new ATOM 0 HE1 TRP B 38 -3.890 4.801 12.724 1.00 0.00 H new ATOM 0 HE3 TRP B 38 -4.884 4.406 7.452 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 -3.710 7.261 11.368 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 -4.522 6.828 7.190 1.00 0.00 H new ATOM 0 HH2 TRP B 38 -3.936 8.235 9.122 1.00 0.00 H new ATOM 896 N GLU B 39 -7.286 0.703 7.117 1.00 0.00 N ATOM 897 CA GLU B 39 -7.596 -0.348 6.153 1.00 0.00 C ATOM 898 C GLU B 39 -6.664 -0.275 4.949 1.00 0.00 C ATOM 899 O GLU B 39 -6.312 0.812 4.487 1.00 0.00 O ATOM 900 CB GLU B 39 -9.052 -0.232 5.693 1.00 0.00 C ATOM 901 CG GLU B 39 -9.482 -1.336 4.743 1.00 0.00 C ATOM 902 CD GLU B 39 -9.400 -2.714 5.371 1.00 0.00 C ATOM 903 OE1 GLU B 39 -8.336 -3.356 5.258 1.00 0.00 O ATOM 904 OE2 GLU B 39 -10.400 -3.150 5.978 1.00 0.00 O ATOM 0 H GLU B 39 -7.494 1.647 6.792 1.00 0.00 H new ATOM 0 HA GLU B 39 -7.451 -1.311 6.643 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -9.702 -0.244 6.568 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.194 0.732 5.204 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -10.505 -1.150 4.416 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -8.853 -1.309 3.853 1.00 0.00 H new ATOM 911 N LEU B 40 -6.264 -1.439 4.445 1.00 0.00 N ATOM 912 CA LEU B 40 -5.372 -1.508 3.291 1.00 0.00 C ATOM 913 C LEU B 40 -6.166 -1.595 1.991 1.00 0.00 C ATOM 914 O LEU B 40 -6.719 -2.643 1.658 1.00 0.00 O ATOM 915 CB LEU B 40 -4.438 -2.715 3.411 1.00 0.00 C ATOM 916 CG LEU B 40 -3.468 -2.672 4.593 1.00 0.00 C ATOM 917 CD1 LEU B 40 -2.686 -3.974 4.689 1.00 0.00 C ATOM 918 CD2 LEU B 40 -2.520 -1.490 4.465 1.00 0.00 C ATOM 0 H LEU B 40 -6.543 -2.347 4.817 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.776 -0.595 3.272 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -5.045 -3.617 3.492 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -3.861 -2.801 2.490 1.00 0.00 H new ATOM 0 HG LEU B 40 -4.048 -2.549 5.508 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -2.001 -3.925 5.535 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.378 -4.804 4.829 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -2.118 -4.126 3.771 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.838 -1.477 5.315 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -1.947 -1.581 3.542 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.094 -0.564 4.446 1.00 0.00 H new ATOM 930 N ARG B 41 -6.217 -0.486 1.264 1.00 0.00 N ATOM 931 CA ARG B 41 -6.935 -0.435 -0.003 1.00 0.00 C ATOM 932 C ARG B 41 -6.056 -0.936 -1.143 1.00 0.00 C ATOM 933 O ARG B 41 -6.541 -1.226 -2.236 1.00 0.00 O ATOM 934 CB ARG B 41 -7.400 0.994 -0.293 1.00 0.00 C ATOM 935 CG ARG B 41 -8.379 1.539 0.738 1.00 0.00 C ATOM 936 CD ARG B 41 -9.689 0.766 0.728 1.00 0.00 C ATOM 937 NE ARG B 41 -10.358 0.838 -0.568 1.00 0.00 N ATOM 938 CZ ARG B 41 -11.440 0.130 -0.881 1.00 0.00 C ATOM 939 NH1 ARG B 41 -11.972 -0.701 0.005 1.00 0.00 N ATOM 940 NH2 ARG B 41 -11.989 0.254 -2.081 1.00 0.00 N ATOM 0 H ARG B 41 -5.769 0.391 1.530 1.00 0.00 H new ATOM 0 HA ARG B 41 -7.807 -1.084 0.074 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -6.529 1.648 -0.336 1.00 0.00 H new ATOM 0 HB3 ARG B 41 -7.869 1.022 -1.277 1.00 0.00 H new ATOM 0 HG2 ARG B 41 -7.931 1.485 1.730 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -8.575 2.592 0.534 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -9.496 -0.277 0.979 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -10.349 1.162 1.499 1.00 0.00 H new ATOM 0 HE ARG B 41 -9.974 1.467 -1.273 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -11.552 -0.799 0.929 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -12.802 -1.243 -0.238 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -11.582 0.892 -2.765 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -12.819 -0.289 -2.321 1.00 0.00 H new ATOM 954 N ASN B 42 -4.757 -1.035 -0.876 1.00 0.00 N ATOM 955 CA ASN B 42 -3.801 -1.501 -1.875 1.00 0.00 C ATOM 956 C ASN B 42 -2.440 -1.768 -1.237 1.00 0.00 C ATOM 957 O ASN B 42 -1.571 -0.899 -1.232 1.00 0.00 O ATOM 958 CB ASN B 42 -3.656 -0.462 -2.993 1.00 0.00 C ATOM 959 CG ASN B 42 -2.831 -0.970 -4.161 1.00 0.00 C ATOM 960 OD1 ASN B 42 -1.989 -1.856 -4.006 1.00 0.00 O ATOM 961 ND2 ASN B 42 -3.066 -0.405 -5.340 1.00 0.00 N ATOM 0 H ASN B 42 -4.342 -0.798 0.025 1.00 0.00 H new ATOM 0 HA ASN B 42 -4.176 -2.433 -2.298 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -4.646 -0.177 -3.349 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -3.191 0.438 -2.589 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -2.540 -0.702 -6.162 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -3.773 0.326 -5.424 1.00 0.00 H new ATOM 968 N PRO B 43 -2.235 -2.977 -0.683 1.00 0.00 N ATOM 969 CA PRO B 43 -0.972 -3.346 -0.040 1.00 0.00 C ATOM 970 C PRO B 43 0.118 -3.702 -1.046 1.00 0.00 C ATOM 971 O PRO B 43 1.166 -4.232 -0.677 1.00 0.00 O ATOM 972 CB PRO B 43 -1.354 -4.574 0.785 1.00 0.00 C ATOM 973 CG PRO B 43 -2.464 -5.206 0.019 1.00 0.00 C ATOM 974 CD PRO B 43 -3.219 -4.077 -0.635 1.00 0.00 C ATOM 0 HA PRO B 43 -0.556 -2.525 0.544 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -0.511 -5.255 0.897 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -1.673 -4.294 1.789 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -2.077 -5.899 -0.728 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -3.115 -5.779 0.679 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -3.562 -4.350 -1.633 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -4.102 -3.799 -0.059 1.00 0.00 H new ATOM 982 N ALA B 44 -0.134 -3.403 -2.319 1.00 0.00 N ATOM 983 CA ALA B 44 0.828 -3.695 -3.377 1.00 0.00 C ATOM 984 C ALA B 44 1.210 -5.172 -3.371 1.00 0.00 C ATOM 985 O ALA B 44 2.353 -5.531 -3.652 1.00 0.00 O ATOM 986 CB ALA B 44 2.067 -2.826 -3.217 1.00 0.00 C ATOM 0 H ALA B 44 -0.994 -2.960 -2.641 1.00 0.00 H new ATOM 0 HA ALA B 44 0.362 -3.468 -4.336 1.00 0.00 H new ATOM 0 HB1 ALA B 44 2.776 -3.054 -4.013 1.00 0.00 H new ATOM 0 HB2 ALA B 44 1.784 -1.775 -3.273 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.529 -3.026 -2.250 1.00 0.00 H new ATOM 992 N ALA B 45 0.239 -6.023 -3.057 1.00 0.00 N ATOM 993 CA ALA B 45 0.463 -7.465 -3.005 1.00 0.00 C ATOM 994 C ALA B 45 0.651 -8.054 -4.400 1.00 0.00 C ATOM 995 O ALA B 45 0.650 -9.273 -4.572 1.00 0.00 O ATOM 996 CB ALA B 45 -0.698 -8.147 -2.297 1.00 0.00 C ATOM 0 H ALA B 45 -0.715 -5.738 -2.834 1.00 0.00 H new ATOM 0 HA ALA B 45 1.381 -7.642 -2.445 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -0.522 -9.222 -2.263 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -0.782 -7.761 -1.281 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -1.622 -7.947 -2.839 1.00 0.00 H new ATOM 1002 N SER B 46 0.818 -7.187 -5.392 1.00 0.00 N ATOM 1003 CA SER B 46 1.005 -7.628 -6.768 1.00 0.00 C ATOM 1004 C SER B 46 2.488 -7.764 -7.108 1.00 0.00 C ATOM 1005 O SER B 46 2.857 -8.519 -8.009 1.00 0.00 O ATOM 1006 CB SER B 46 0.338 -6.649 -7.734 1.00 0.00 C ATOM 1007 OG SER B 46 0.488 -7.073 -9.078 1.00 0.00 O ATOM 0 H SER B 46 0.828 -6.175 -5.268 1.00 0.00 H new ATOM 0 HA SER B 46 0.539 -8.608 -6.871 1.00 0.00 H new ATOM 0 HB2 SER B 46 -0.722 -6.562 -7.494 1.00 0.00 H new ATOM 0 HB3 SER B 46 0.775 -5.658 -7.611 1.00 0.00 H new ATOM 0 HG SER B 46 0.051 -6.430 -9.675 1.00 0.00 H new ATOM 1013 N VAL B 47 3.334 -7.033 -6.387 1.00 0.00 N ATOM 1014 CA VAL B 47 4.773 -7.079 -6.629 1.00 0.00 C ATOM 1015 C VAL B 47 5.563 -7.151 -5.325 1.00 0.00 C ATOM 1016 O VAL B 47 6.603 -7.806 -5.259 1.00 0.00 O ATOM 1017 CB VAL B 47 5.247 -5.853 -7.435 1.00 0.00 C ATOM 1018 CG1 VAL B 47 4.541 -5.796 -8.782 1.00 0.00 C ATOM 1019 CG2 VAL B 47 5.020 -4.570 -6.652 1.00 0.00 C ATOM 0 H VAL B 47 3.050 -6.405 -5.635 1.00 0.00 H new ATOM 0 HA VAL B 47 4.960 -7.984 -7.207 1.00 0.00 H new ATOM 0 HB VAL B 47 6.318 -5.953 -7.613 1.00 0.00 H new ATOM 0 HG11 VAL B 47 4.887 -4.925 -9.338 1.00 0.00 H new ATOM 0 HG12 VAL B 47 4.764 -6.700 -9.348 1.00 0.00 H new ATOM 0 HG13 VAL B 47 3.465 -5.722 -8.626 1.00 0.00 H new ATOM 0 HG21 VAL B 47 5.362 -3.719 -7.241 1.00 0.00 H new ATOM 0 HG22 VAL B 47 3.957 -4.458 -6.437 1.00 0.00 H new ATOM 0 HG23 VAL B 47 5.578 -4.611 -5.716 1.00 0.00 H new ATOM 1029 N LEU B 48 5.068 -6.477 -4.293 1.00 0.00 N ATOM 1030 CA LEU B 48 5.743 -6.465 -2.999 1.00 0.00 C ATOM 1031 C LEU B 48 5.315 -7.653 -2.143 1.00 0.00 C ATOM 1032 O LEU B 48 4.178 -8.117 -2.226 1.00 0.00 O ATOM 1033 CB LEU B 48 5.451 -5.156 -2.259 1.00 0.00 C ATOM 1034 CG LEU B 48 5.861 -3.883 -3.004 1.00 0.00 C ATOM 1035 CD1 LEU B 48 5.493 -2.652 -2.190 1.00 0.00 C ATOM 1036 CD2 LEU B 48 7.351 -3.894 -3.310 1.00 0.00 C ATOM 0 H LEU B 48 4.205 -5.934 -4.326 1.00 0.00 H new ATOM 0 HA LEU B 48 6.815 -6.543 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU B 48 4.383 -5.107 -2.048 1.00 0.00 H new ATOM 0 HB3 LEU B 48 5.965 -5.178 -1.298 1.00 0.00 H new ATOM 0 HG LEU B 48 5.320 -3.849 -3.950 1.00 0.00 H new ATOM 0 HD11 LEU B 48 5.791 -1.755 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU B 48 4.416 -2.635 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU B 48 6.008 -2.683 -1.230 1.00 0.00 H new ATOM 0 HD21 LEU B 48 7.620 -2.980 -3.840 1.00 0.00 H new ATOM 0 HD22 LEU B 48 7.913 -3.953 -2.378 1.00 0.00 H new ATOM 0 HD23 LEU B 48 7.588 -4.757 -3.932 1.00 0.00 H new ATOM 1048 N LYS B 49 6.240 -8.138 -1.320 1.00 0.00 N ATOM 1049 CA LYS B 49 5.973 -9.271 -0.442 1.00 0.00 C ATOM 1050 C LYS B 49 6.264 -8.899 1.010 1.00 0.00 C ATOM 1051 O LYS B 49 6.338 -7.720 1.344 1.00 0.00 O ATOM 1052 CB LYS B 49 6.815 -10.476 -0.868 1.00 0.00 C ATOM 1053 CG LYS B 49 6.185 -11.811 -0.526 1.00 0.00 C ATOM 1054 CD LYS B 49 5.843 -12.575 -1.784 1.00 0.00 C ATOM 1055 CE LYS B 49 4.673 -11.940 -2.519 1.00 0.00 C ATOM 1056 NZ LYS B 49 4.342 -12.670 -3.774 1.00 0.00 N ATOM 0 H LYS B 49 7.185 -7.762 -1.243 1.00 0.00 H new ATOM 0 HA LYS B 49 4.919 -9.537 -0.522 1.00 0.00 H new ATOM 0 HB2 LYS B 49 6.983 -10.429 -1.944 1.00 0.00 H new ATOM 0 HB3 LYS B 49 7.792 -10.412 -0.390 1.00 0.00 H new ATOM 0 HG2 LYS B 49 6.871 -12.397 0.087 1.00 0.00 H new ATOM 0 HG3 LYS B 49 5.284 -11.653 0.066 1.00 0.00 H new ATOM 0 HD2 LYS B 49 6.713 -12.606 -2.440 1.00 0.00 H new ATOM 0 HD3 LYS B 49 5.598 -13.606 -1.530 1.00 0.00 H new ATOM 0 HE2 LYS B 49 3.800 -11.925 -1.867 1.00 0.00 H new ATOM 0 HE3 LYS B 49 4.912 -10.903 -2.755 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 3.539 -12.205 -4.245 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 5.167 -12.663 -4.408 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 4.088 -13.653 -3.547 1.00 0.00 H new ATOM 1070 N ARG B 50 6.422 -9.905 1.870 1.00 0.00 N ATOM 1071 CA ARG B 50 6.697 -9.674 3.287 1.00 0.00 C ATOM 1072 C ARG B 50 5.505 -9.027 3.980 1.00 0.00 C ATOM 1073 O ARG B 50 5.595 -8.622 5.139 1.00 0.00 O ATOM 1074 CB ARG B 50 7.947 -8.811 3.473 1.00 0.00 C ATOM 1075 CG ARG B 50 9.173 -9.598 3.910 1.00 0.00 C ATOM 1076 CD ARG B 50 8.995 -10.179 5.305 1.00 0.00 C ATOM 1077 NE ARG B 50 10.175 -10.917 5.747 1.00 0.00 N ATOM 1078 CZ ARG B 50 10.293 -11.463 6.953 1.00 0.00 C ATOM 1079 NH1 ARG B 50 9.307 -11.358 7.833 1.00 0.00 N ATOM 1080 NH2 ARG B 50 11.400 -12.118 7.281 1.00 0.00 N ATOM 0 H ARG B 50 6.364 -10.889 1.609 1.00 0.00 H new ATOM 0 HA ARG B 50 6.877 -10.646 3.747 1.00 0.00 H new ATOM 0 HB2 ARG B 50 8.169 -8.301 2.535 1.00 0.00 H new ATOM 0 HB3 ARG B 50 7.738 -8.039 4.214 1.00 0.00 H new ATOM 0 HG2 ARG B 50 9.361 -10.404 3.201 1.00 0.00 H new ATOM 0 HG3 ARG B 50 10.048 -8.948 3.894 1.00 0.00 H new ATOM 0 HD2 ARG B 50 8.787 -9.373 6.009 1.00 0.00 H new ATOM 0 HD3 ARG B 50 8.129 -10.841 5.314 1.00 0.00 H new ATOM 0 HE ARG B 50 10.952 -11.019 5.094 1.00 0.00 H new ATOM 0 HH11 ARG B 50 8.454 -10.857 7.586 1.00 0.00 H new ATOM 0 HH12 ARG B 50 9.402 -11.779 8.757 1.00 0.00 H new ATOM 0 HH21 ARG B 50 12.161 -12.203 6.607 1.00 0.00 H new ATOM 0 HH22 ARG B 50 11.490 -12.537 8.207 1.00 0.00 H new ATOM 1094 N LEU B 51 4.388 -8.952 3.267 1.00 0.00 N ATOM 1095 CA LEU B 51 3.172 -8.358 3.808 1.00 0.00 C ATOM 1096 C LEU B 51 2.655 -9.168 4.992 1.00 0.00 C ATOM 1097 O LEU B 51 2.841 -10.384 5.050 1.00 0.00 O ATOM 1098 CB LEU B 51 2.094 -8.277 2.724 1.00 0.00 C ATOM 1099 CG LEU B 51 2.603 -8.393 1.284 1.00 0.00 C ATOM 1100 CD1 LEU B 51 1.440 -8.488 0.319 1.00 0.00 C ATOM 1101 CD2 LEU B 51 3.490 -7.214 0.923 1.00 0.00 C ATOM 0 H LEU B 51 4.299 -9.296 2.311 1.00 0.00 H new ATOM 0 HA LEU B 51 3.409 -7.351 4.152 1.00 0.00 H new ATOM 0 HB2 LEU B 51 1.366 -9.069 2.899 1.00 0.00 H new ATOM 0 HB3 LEU B 51 1.566 -7.329 2.830 1.00 0.00 H new ATOM 0 HG LEU B 51 3.198 -9.303 1.209 1.00 0.00 H new ATOM 0 HD11 LEU B 51 1.818 -8.570 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU B 51 0.842 -9.368 0.556 1.00 0.00 H new ATOM 0 HD13 LEU B 51 0.821 -7.595 0.406 1.00 0.00 H new ATOM 0 HD21 LEU B 51 3.838 -7.321 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU B 51 2.922 -6.289 1.019 1.00 0.00 H new ATOM 0 HD23 LEU B 51 4.348 -7.185 1.595 1.00 0.00 H new ATOM 1113 N GLY B 52 2.008 -8.491 5.935 1.00 0.00 N ATOM 1114 CA GLY B 52 1.476 -9.172 7.101 1.00 0.00 C ATOM 1115 C GLY B 52 0.221 -8.513 7.645 1.00 0.00 C ATOM 1116 O GLY B 52 -0.014 -7.330 7.399 1.00 0.00 O ATOM 0 H GLY B 52 1.843 -7.485 5.913 1.00 0.00 H new ATOM 0 HA2 GLY B 52 1.254 -10.207 6.842 1.00 0.00 H new ATOM 0 HA3 GLY B 52 2.237 -9.195 7.881 1.00 0.00 H new ATOM 1120 N PRO B 53 -0.609 -9.263 8.392 1.00 0.00 N ATOM 1121 CA PRO B 53 -1.850 -8.737 8.972 1.00 0.00 C ATOM 1122 C PRO B 53 -1.586 -7.683 10.044 1.00 0.00 C ATOM 1123 O PRO B 53 -0.475 -7.168 10.161 1.00 0.00 O ATOM 1124 CB PRO B 53 -2.517 -9.973 9.597 1.00 0.00 C ATOM 1125 CG PRO B 53 -1.798 -11.147 9.019 1.00 0.00 C ATOM 1126 CD PRO B 53 -0.409 -10.679 8.727 1.00 0.00 C ATOM 0 HA PRO B 53 -2.465 -8.241 8.221 1.00 0.00 H new ATOM 0 HB2 PRO B 53 -2.433 -9.957 10.684 1.00 0.00 H new ATOM 0 HB3 PRO B 53 -3.580 -10.008 9.360 1.00 0.00 H new ATOM 0 HG2 PRO B 53 -1.789 -11.982 9.720 1.00 0.00 H new ATOM 0 HG3 PRO B 53 -2.290 -11.497 8.112 1.00 0.00 H new ATOM 0 HD2 PRO B 53 0.249 -10.803 9.587 1.00 0.00 H new ATOM 0 HD3 PRO B 53 0.039 -11.231 7.901 1.00 0.00 H new ATOM 1134 N GLU B 54 -2.618 -7.369 10.822 1.00 0.00 N ATOM 1135 CA GLU B 54 -2.499 -6.379 11.885 1.00 0.00 C ATOM 1136 C GLU B 54 -1.751 -6.956 13.084 1.00 0.00 C ATOM 1137 O GLU B 54 -1.675 -8.173 13.252 1.00 0.00 O ATOM 1138 CB GLU B 54 -3.886 -5.897 12.319 1.00 0.00 C ATOM 1139 CG GLU B 54 -4.791 -7.013 12.816 1.00 0.00 C ATOM 1140 CD GLU B 54 -6.160 -6.512 13.233 1.00 0.00 C ATOM 1141 OE1 GLU B 54 -7.060 -6.458 12.369 1.00 0.00 O ATOM 1142 OE2 GLU B 54 -6.332 -6.177 14.423 1.00 0.00 O ATOM 0 H GLU B 54 -3.545 -7.786 10.736 1.00 0.00 H new ATOM 0 HA GLU B 54 -1.932 -5.533 11.498 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -3.773 -5.154 13.108 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -4.367 -5.398 11.478 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -4.905 -7.760 12.030 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -4.317 -7.510 13.662 1.00 0.00 H new ATOM 1149 N VAL B 55 -1.198 -6.075 13.913 1.00 0.00 N ATOM 1150 CA VAL B 55 -0.455 -6.499 15.093 1.00 0.00 C ATOM 1151 C VAL B 55 -0.921 -5.749 16.336 1.00 0.00 C ATOM 1152 O VAL B 55 -0.686 -4.549 16.476 1.00 0.00 O ATOM 1153 CB VAL B 55 1.060 -6.276 14.911 1.00 0.00 C ATOM 1154 CG1 VAL B 55 1.828 -6.789 16.121 1.00 0.00 C ATOM 1155 CG2 VAL B 55 1.550 -6.946 13.637 1.00 0.00 C ATOM 0 H VAL B 55 -1.251 -5.064 13.788 1.00 0.00 H new ATOM 0 HA VAL B 55 -0.647 -7.564 15.222 1.00 0.00 H new ATOM 0 HB VAL B 55 1.241 -5.205 14.824 1.00 0.00 H new ATOM 0 HG11 VAL B 55 2.895 -6.622 15.972 1.00 0.00 H new ATOM 0 HG12 VAL B 55 1.498 -6.257 17.013 1.00 0.00 H new ATOM 0 HG13 VAL B 55 1.641 -7.856 16.245 1.00 0.00 H new ATOM 0 HG21 VAL B 55 2.621 -6.777 13.526 1.00 0.00 H new ATOM 0 HG22 VAL B 55 1.355 -8.017 13.691 1.00 0.00 H new ATOM 0 HG23 VAL B 55 1.026 -6.524 12.779 1.00 0.00 H new ATOM 1165 N TYR B 56 -1.586 -6.467 17.237 1.00 0.00 N ATOM 1166 CA TYR B 56 -2.085 -5.872 18.473 1.00 0.00 C ATOM 1167 C TYR B 56 -1.923 -6.837 19.644 1.00 0.00 C ATOM 1168 O TYR B 56 -1.118 -6.602 20.546 1.00 0.00 O ATOM 1169 CB TYR B 56 -3.558 -5.481 18.322 1.00 0.00 C ATOM 1170 CG TYR B 56 -3.786 -4.337 17.361 1.00 0.00 C ATOM 1171 CD1 TYR B 56 -3.681 -3.018 17.784 1.00 0.00 C ATOM 1172 CD2 TYR B 56 -4.108 -4.575 16.031 1.00 0.00 C ATOM 1173 CE1 TYR B 56 -3.892 -1.969 16.908 1.00 0.00 C ATOM 1174 CE2 TYR B 56 -4.319 -3.532 15.149 1.00 0.00 C ATOM 1175 CZ TYR B 56 -4.210 -2.230 15.592 1.00 0.00 C ATOM 1176 OH TYR B 56 -4.418 -1.190 14.719 1.00 0.00 O ATOM 0 H TYR B 56 -1.792 -7.461 17.134 1.00 0.00 H new ATOM 0 HA TYR B 56 -1.498 -4.976 18.676 1.00 0.00 H new ATOM 0 HB2 TYR B 56 -4.122 -6.349 17.981 1.00 0.00 H new ATOM 0 HB3 TYR B 56 -3.955 -5.207 19.300 1.00 0.00 H new ATOM 0 HD1 TYR B 56 -3.431 -2.808 18.813 1.00 0.00 H new ATOM 0 HD2 TYR B 56 -4.195 -5.593 15.680 1.00 0.00 H new ATOM 0 HE1 TYR B 56 -3.808 -0.949 17.253 1.00 0.00 H new ATOM 0 HE2 TYR B 56 -4.568 -3.735 14.118 1.00 0.00 H new ATOM 0 HH TYR B 56 -4.632 -1.546 13.831 1.00 0.00 H new ATOM 1186 N SER B 57 -2.690 -7.922 19.623 1.00 0.00 N ATOM 1187 CA SER B 57 -2.630 -8.921 20.685 1.00 0.00 C ATOM 1188 C SER B 57 -3.277 -10.230 20.239 1.00 0.00 C ATOM 1189 O SER B 57 -3.243 -11.227 20.962 1.00 0.00 O ATOM 1190 CB SER B 57 -3.323 -8.400 21.945 1.00 0.00 C ATOM 1191 OG SER B 57 -3.265 -9.353 22.993 1.00 0.00 O ATOM 0 H SER B 57 -3.360 -8.132 18.883 1.00 0.00 H new ATOM 0 HA SER B 57 -1.581 -9.113 20.909 1.00 0.00 H new ATOM 0 HB2 SER B 57 -2.849 -7.472 22.267 1.00 0.00 H new ATOM 0 HB3 SER B 57 -4.363 -8.165 21.720 1.00 0.00 H new ATOM 0 HG SER B 57 -3.226 -10.255 22.613 1.00 0.00 H new ATOM 1197 N ASN B 58 -3.864 -10.219 19.047 1.00 0.00 N ATOM 1198 CA ASN B 58 -4.519 -11.405 18.506 1.00 0.00 C ATOM 1199 C ASN B 58 -3.507 -12.331 17.839 1.00 0.00 C ATOM 1200 O ASN B 58 -3.716 -13.542 17.762 1.00 0.00 O ATOM 1201 CB ASN B 58 -5.601 -11.001 17.502 1.00 0.00 C ATOM 1202 CG ASN B 58 -5.043 -10.201 16.341 1.00 0.00 C ATOM 1203 OD1 ASN B 58 -4.976 -8.973 16.395 1.00 0.00 O ATOM 1204 ND2 ASN B 58 -4.635 -10.894 15.285 1.00 0.00 N ATOM 0 H ASN B 58 -3.900 -9.402 18.437 1.00 0.00 H new ATOM 0 HA ASN B 58 -4.983 -11.943 19.333 1.00 0.00 H new ATOM 0 HB2 ASN B 58 -6.091 -11.897 17.120 1.00 0.00 H new ATOM 0 HB3 ASN B 58 -6.364 -10.413 18.012 1.00 0.00 H new ATOM 0 HD21 ASN B 58 -4.247 -10.409 14.476 1.00 0.00 H new ATOM 0 HD22 ASN B 58 -4.709 -11.911 15.283 1.00 0.00 H new ATOM 1211 N SER B 59 -2.411 -11.753 17.356 1.00 0.00 N ATOM 1212 CA SER B 59 -1.366 -12.526 16.695 1.00 0.00 C ATOM 1213 C SER B 59 -0.286 -12.943 17.688 1.00 0.00 C ATOM 1214 O SER B 59 -0.157 -14.122 18.018 1.00 0.00 O ATOM 1215 CB SER B 59 -0.743 -11.714 15.558 1.00 0.00 C ATOM 1216 OG SER B 59 -1.715 -11.366 14.587 1.00 0.00 O ATOM 0 H SER B 59 -2.224 -10.752 17.410 1.00 0.00 H new ATOM 0 HA SER B 59 -1.822 -13.426 16.282 1.00 0.00 H new ATOM 0 HB2 SER B 59 -0.287 -10.810 15.961 1.00 0.00 H new ATOM 0 HB3 SER B 59 0.054 -12.291 15.089 1.00 0.00 H new ATOM 0 HG SER B 59 -1.292 -10.846 13.872 1.00 0.00 H new ATOM 1222 N GLU B 60 0.484 -11.965 18.161 1.00 0.00 N ATOM 1223 CA GLU B 60 1.557 -12.223 19.118 1.00 0.00 C ATOM 1224 C GLU B 60 2.576 -13.206 18.550 1.00 0.00 C ATOM 1225 O GLU B 60 2.366 -14.419 18.576 1.00 0.00 O ATOM 1226 CB GLU B 60 0.986 -12.760 20.429 1.00 0.00 C ATOM 1227 CG GLU B 60 0.030 -11.798 21.118 1.00 0.00 C ATOM 1228 CD GLU B 60 -0.522 -12.357 22.413 1.00 0.00 C ATOM 1229 OE1 GLU B 60 -1.577 -13.023 22.370 1.00 0.00 O ATOM 1230 OE2 GLU B 60 0.101 -12.126 23.472 1.00 0.00 O ATOM 0 H GLU B 60 0.384 -10.985 17.896 1.00 0.00 H new ATOM 0 HA GLU B 60 2.065 -11.278 19.313 1.00 0.00 H new ATOM 0 HB2 GLU B 60 0.465 -13.697 20.232 1.00 0.00 H new ATOM 0 HB3 GLU B 60 1.808 -12.989 21.107 1.00 0.00 H new ATOM 0 HG2 GLU B 60 0.547 -10.861 21.322 1.00 0.00 H new ATOM 0 HG3 GLU B 60 -0.795 -11.567 20.445 1.00 0.00 H new ATOM 1237 N GLU B 61 3.681 -12.674 18.037 1.00 0.00 N ATOM 1238 CA GLU B 61 4.734 -13.504 17.463 1.00 0.00 C ATOM 1239 C GLU B 61 5.750 -13.906 18.528 1.00 0.00 C ATOM 1240 O GLU B 61 5.872 -15.082 18.869 1.00 0.00 O ATOM 1241 CB GLU B 61 5.436 -12.757 16.326 1.00 0.00 C ATOM 1242 CG GLU B 61 4.509 -12.385 15.181 1.00 0.00 C ATOM 1243 CD GLU B 61 5.226 -11.646 14.068 1.00 0.00 C ATOM 1244 OE1 GLU B 61 5.726 -12.312 13.137 1.00 0.00 O ATOM 1245 OE2 GLU B 61 5.285 -10.399 14.125 1.00 0.00 O ATOM 0 H GLU B 61 3.870 -11.672 18.007 1.00 0.00 H new ATOM 0 HA GLU B 61 4.275 -14.409 17.065 1.00 0.00 H new ATOM 0 HB2 GLU B 61 5.890 -11.850 16.724 1.00 0.00 H new ATOM 0 HB3 GLU B 61 6.246 -13.377 15.941 1.00 0.00 H new ATOM 0 HG2 GLU B 61 4.054 -13.290 14.778 1.00 0.00 H new ATOM 0 HG3 GLU B 61 3.698 -11.764 15.562 1.00 0.00 H new ATOM 1252 N ASP B 62 6.476 -12.920 19.047 1.00 0.00 N ATOM 1253 CA ASP B 62 7.480 -13.169 20.074 1.00 0.00 C ATOM 1254 C ASP B 62 6.957 -12.778 21.452 1.00 0.00 C ATOM 1255 O ASP B 62 7.352 -13.358 22.464 1.00 0.00 O ATOM 1256 CB ASP B 62 8.761 -12.392 19.763 1.00 0.00 C ATOM 1257 CG ASP B 62 9.363 -12.778 18.426 1.00 0.00 C ATOM 1258 OD1 ASP B 62 8.999 -12.154 17.408 1.00 0.00 O ATOM 1259 OD2 ASP B 62 10.200 -13.706 18.398 1.00 0.00 O ATOM 0 H ASP B 62 6.387 -11.942 18.773 1.00 0.00 H new ATOM 0 HA ASP B 62 7.702 -14.236 20.079 1.00 0.00 H new ATOM 0 HB2 ASP B 62 8.544 -11.324 19.765 1.00 0.00 H new ATOM 0 HB3 ASP B 62 9.491 -12.571 20.552 1.00 0.00 H new ATOM 1264 N SER B 63 6.067 -11.792 21.481 1.00 0.00 N ATOM 1265 CA SER B 63 5.485 -11.320 22.733 1.00 0.00 C ATOM 1266 C SER B 63 4.235 -10.490 22.469 1.00 0.00 C ATOM 1267 O SER B 63 3.385 -10.332 23.346 1.00 0.00 O ATOM 1268 CB SER B 63 6.507 -10.490 23.512 1.00 0.00 C ATOM 1269 OG SER B 63 5.968 -10.049 24.747 1.00 0.00 O ATOM 0 H SER B 63 5.732 -11.303 20.651 1.00 0.00 H new ATOM 0 HA SER B 63 5.204 -12.190 23.327 1.00 0.00 H new ATOM 0 HB2 SER B 63 7.402 -11.085 23.694 1.00 0.00 H new ATOM 0 HB3 SER B 63 6.812 -9.630 22.916 1.00 0.00 H new ATOM 0 HG SER B 63 6.682 -9.662 25.296 1.00 0.00 H new ATOM 1275 N GLY B 64 4.126 -9.962 21.252 1.00 0.00 N ATOM 1276 CA GLY B 64 2.979 -9.151 20.897 1.00 0.00 C ATOM 1277 C GLY B 64 2.870 -7.907 21.755 1.00 0.00 C ATOM 1278 O GLY B 64 1.775 -7.518 22.161 1.00 0.00 O ATOM 0 H GLY B 64 4.813 -10.083 20.507 1.00 0.00 H new ATOM 0 HA2 GLY B 64 3.051 -8.862 19.849 1.00 0.00 H new ATOM 0 HA3 GLY B 64 2.070 -9.744 21.002 1.00 0.00 H new ATOM 1282 N LEU B 65 4.012 -7.279 22.023 1.00 0.00 N ATOM 1283 CA LEU B 65 4.051 -6.074 22.840 1.00 0.00 C ATOM 1284 C LEU B 65 5.022 -5.061 22.252 1.00 0.00 C ATOM 1285 O LEU B 65 6.231 -5.136 22.471 1.00 0.00 O ATOM 1286 CB LEU B 65 4.463 -6.407 24.273 1.00 0.00 C ATOM 1287 CG LEU B 65 3.607 -7.464 24.973 1.00 0.00 C ATOM 1288 CD1 LEU B 65 4.223 -7.843 26.313 1.00 0.00 C ATOM 1289 CD2 LEU B 65 2.184 -6.962 25.165 1.00 0.00 C ATOM 0 H LEU B 65 4.923 -7.587 21.684 1.00 0.00 H new ATOM 0 HA LEU B 65 3.050 -5.643 22.851 1.00 0.00 H new ATOM 0 HB2 LEU B 65 5.498 -6.749 24.265 1.00 0.00 H new ATOM 0 HB3 LEU B 65 4.434 -5.491 24.863 1.00 0.00 H new ATOM 0 HG LEU B 65 3.574 -8.352 24.342 1.00 0.00 H new ATOM 0 HD11 LEU B 65 3.602 -8.596 26.799 1.00 0.00 H new ATOM 0 HD12 LEU B 65 5.223 -8.246 26.153 1.00 0.00 H new ATOM 0 HD13 LEU B 65 4.285 -6.959 26.948 1.00 0.00 H new ATOM 0 HD21 LEU B 65 1.592 -7.729 25.665 1.00 0.00 H new ATOM 0 HD22 LEU B 65 2.196 -6.058 25.775 1.00 0.00 H new ATOM 0 HD23 LEU B 65 1.743 -6.738 24.194 1.00 0.00 H new ATOM 1301 N VAL B 66 4.478 -4.118 21.503 1.00 0.00 N ATOM 1302 CA VAL B 66 5.281 -3.075 20.872 1.00 0.00 C ATOM 1303 C VAL B 66 5.018 -1.719 21.517 1.00 0.00 C ATOM 1304 O VAL B 66 5.891 -0.851 21.537 1.00 0.00 O ATOM 1305 CB VAL B 66 4.992 -2.984 19.360 1.00 0.00 C ATOM 1306 CG1 VAL B 66 5.845 -1.903 18.712 1.00 0.00 C ATOM 1307 CG2 VAL B 66 5.230 -4.329 18.690 1.00 0.00 C ATOM 0 H VAL B 66 3.478 -4.050 21.314 1.00 0.00 H new ATOM 0 HA VAL B 66 6.327 -3.344 21.016 1.00 0.00 H new ATOM 0 HB VAL B 66 3.944 -2.714 19.228 1.00 0.00 H new ATOM 0 HG11 VAL B 66 5.625 -1.856 17.645 1.00 0.00 H new ATOM 0 HG12 VAL B 66 5.622 -0.940 19.171 1.00 0.00 H new ATOM 0 HG13 VAL B 66 6.900 -2.138 18.855 1.00 0.00 H new ATOM 0 HG21 VAL B 66 5.021 -4.246 17.623 1.00 0.00 H new ATOM 0 HG22 VAL B 66 6.268 -4.629 18.834 1.00 0.00 H new ATOM 0 HG23 VAL B 66 4.572 -5.077 19.132 1.00 0.00 H new ATOM 1317 N GLY B 67 3.813 -1.551 22.045 1.00 0.00 N ATOM 1318 CA GLY B 67 3.450 -0.298 22.684 1.00 0.00 C ATOM 1319 C GLY B 67 2.511 -0.499 23.856 1.00 0.00 C ATOM 1320 O GLY B 67 2.659 -1.451 24.623 1.00 0.00 O ATOM 0 H GLY B 67 3.079 -2.259 22.043 1.00 0.00 H new ATOM 0 HA2 GLY B 67 4.353 0.207 23.028 1.00 0.00 H new ATOM 0 HA3 GLY B 67 2.978 0.357 21.952 1.00 0.00 H new ATOM 1324 N SER B 68 1.545 0.403 23.998 1.00 0.00 N ATOM 1325 CA SER B 68 0.576 0.321 25.085 1.00 0.00 C ATOM 1326 C SER B 68 -0.622 -0.531 24.686 1.00 0.00 C ATOM 1327 O SER B 68 -1.300 -1.105 25.539 1.00 0.00 O ATOM 1328 CB SER B 68 0.111 1.721 25.489 1.00 0.00 C ATOM 1329 OG SER B 68 -0.466 2.404 24.387 1.00 0.00 O ATOM 0 H SER B 68 1.412 1.199 23.374 1.00 0.00 H new ATOM 0 HA SER B 68 1.065 -0.152 25.937 1.00 0.00 H new ATOM 0 HB2 SER B 68 -0.617 1.647 26.297 1.00 0.00 H new ATOM 0 HB3 SER B 68 0.956 2.292 25.873 1.00 0.00 H new ATOM 0 HG SER B 68 -0.757 3.296 24.671 1.00 0.00 H new ATOM 1335 N GLY B 69 -0.879 -0.611 23.383 1.00 0.00 N ATOM 1336 CA GLY B 69 -1.996 -1.396 22.891 1.00 0.00 C ATOM 1337 C GLY B 69 -2.859 -0.628 21.910 1.00 0.00 C ATOM 1338 O GLY B 69 -4.084 -0.628 22.018 1.00 0.00 O ATOM 0 H GLY B 69 -0.332 -0.145 22.659 1.00 0.00 H new ATOM 0 HA2 GLY B 69 -1.618 -2.297 22.409 1.00 0.00 H new ATOM 0 HA3 GLY B 69 -2.608 -1.718 23.733 1.00 0.00 H new ATOM 1342 N GLY B 70 -2.217 0.029 20.949 1.00 0.00 N ATOM 1343 CA GLY B 70 -2.949 0.796 19.957 1.00 0.00 C ATOM 1344 C GLY B 70 -2.069 1.259 18.814 1.00 0.00 C ATOM 1345 O GLY B 70 -2.189 2.392 18.350 1.00 0.00 O ATOM 0 H GLY B 70 -1.203 0.044 20.839 1.00 0.00 H new ATOM 0 HA2 GLY B 70 -3.763 0.188 19.561 1.00 0.00 H new ATOM 0 HA3 GLY B 70 -3.403 1.664 20.436 1.00 0.00 H new ATOM 1349 N GLU B 71 -1.181 0.380 18.360 1.00 0.00 N ATOM 1350 CA GLU B 71 -0.274 0.704 17.265 1.00 0.00 C ATOM 1351 C GLU B 71 -0.094 -0.493 16.336 1.00 0.00 C ATOM 1352 O GLU B 71 0.503 -1.500 16.714 1.00 0.00 O ATOM 1353 CB GLU B 71 1.084 1.148 17.808 1.00 0.00 C ATOM 1354 CG GLU B 71 1.023 2.421 18.637 1.00 0.00 C ATOM 1355 CD GLU B 71 2.379 2.834 19.174 1.00 0.00 C ATOM 1356 OE1 GLU B 71 2.721 2.422 20.302 1.00 0.00 O ATOM 1357 OE2 GLU B 71 3.101 3.566 18.465 1.00 0.00 O ATOM 0 H GLU B 71 -1.070 -0.563 18.734 1.00 0.00 H new ATOM 0 HA GLU B 71 -0.714 1.523 16.696 1.00 0.00 H new ATOM 0 HB2 GLU B 71 1.501 0.347 18.418 1.00 0.00 H new ATOM 0 HB3 GLU B 71 1.767 1.301 16.973 1.00 0.00 H new ATOM 0 HG2 GLU B 71 0.617 3.228 18.027 1.00 0.00 H new ATOM 0 HG3 GLU B 71 0.336 2.275 19.470 1.00 0.00 H new ATOM 1364 N SER B 72 -0.617 -0.376 15.119 1.00 0.00 N ATOM 1365 CA SER B 72 -0.511 -1.448 14.136 1.00 0.00 C ATOM 1366 C SER B 72 0.906 -1.536 13.581 1.00 0.00 C ATOM 1367 O SER B 72 1.716 -0.629 13.778 1.00 0.00 O ATOM 1368 CB SER B 72 -1.506 -1.222 12.995 1.00 0.00 C ATOM 1369 OG SER B 72 -1.429 -2.264 12.037 1.00 0.00 O ATOM 0 H SER B 72 -1.118 0.450 14.791 1.00 0.00 H new ATOM 0 HA SER B 72 -0.747 -2.389 14.633 1.00 0.00 H new ATOM 0 HB2 SER B 72 -2.518 -1.167 13.396 1.00 0.00 H new ATOM 0 HB3 SER B 72 -1.301 -0.266 12.514 1.00 0.00 H new ATOM 0 HG SER B 72 -1.514 -1.887 11.136 1.00 0.00 H new ATOM 1375 N THR B 73 1.201 -2.630 12.887 1.00 0.00 N ATOM 1376 CA THR B 73 2.525 -2.831 12.308 1.00 0.00 C ATOM 1377 C THR B 73 2.436 -3.552 10.967 1.00 0.00 C ATOM 1378 O THR B 73 1.852 -4.631 10.866 1.00 0.00 O ATOM 1379 CB THR B 73 3.432 -3.640 13.253 1.00 0.00 C ATOM 1380 OG1 THR B 73 3.522 -2.986 14.524 1.00 0.00 O ATOM 1381 CG2 THR B 73 4.827 -3.798 12.663 1.00 0.00 C ATOM 0 H THR B 73 0.543 -3.390 12.712 1.00 0.00 H new ATOM 0 HA THR B 73 2.958 -1.842 12.157 1.00 0.00 H new ATOM 0 HB THR B 73 2.993 -4.629 13.381 1.00 0.00 H new ATOM 0 HG1 THR B 73 4.099 -3.507 15.120 1.00 0.00 H new ATOM 0 HG21 THR B 73 5.449 -4.373 13.349 1.00 0.00 H new ATOM 0 HG22 THR B 73 4.761 -4.320 11.708 1.00 0.00 H new ATOM 0 HG23 THR B 73 5.270 -2.814 12.509 1.00 0.00 H new ATOM 1389 N TRP B 74 3.021 -2.946 9.936 1.00 0.00 N ATOM 1390 CA TRP B 74 3.016 -3.527 8.599 1.00 0.00 C ATOM 1391 C TRP B 74 4.437 -3.649 8.059 1.00 0.00 C ATOM 1392 O TRP B 74 5.249 -2.737 8.217 1.00 0.00 O ATOM 1393 CB TRP B 74 2.171 -2.677 7.648 1.00 0.00 C ATOM 1394 CG TRP B 74 0.756 -2.497 8.105 1.00 0.00 C ATOM 1395 CD1 TRP B 74 -0.235 -3.436 8.092 1.00 0.00 C ATOM 1396 CD2 TRP B 74 0.170 -1.301 8.633 1.00 0.00 C ATOM 1397 NE1 TRP B 74 -1.400 -2.898 8.583 1.00 0.00 N ATOM 1398 CE2 TRP B 74 -1.176 -1.589 8.923 1.00 0.00 C ATOM 1399 CE3 TRP B 74 0.657 -0.017 8.894 1.00 0.00 C ATOM 1400 CZ2 TRP B 74 -2.042 -0.638 9.457 1.00 0.00 C ATOM 1401 CZ3 TRP B 74 -0.205 0.926 9.423 1.00 0.00 C ATOM 1402 CH2 TRP B 74 -1.539 0.612 9.701 1.00 0.00 C ATOM 0 H TRP B 74 3.505 -2.051 10.003 1.00 0.00 H new ATOM 0 HA TRP B 74 2.579 -4.524 8.666 1.00 0.00 H new ATOM 0 HB2 TRP B 74 2.636 -1.697 7.538 1.00 0.00 H new ATOM 0 HB3 TRP B 74 2.170 -3.142 6.662 1.00 0.00 H new ATOM 0 HD1 TRP B 74 -0.120 -4.453 7.746 1.00 0.00 H new ATOM 0 HE1 TRP B 74 -2.287 -3.392 8.679 1.00 0.00 H new ATOM 0 HE3 TRP B 74 1.687 0.234 8.686 1.00 0.00 H new ATOM 0 HZ2 TRP B 74 -3.073 -0.878 9.671 1.00 0.00 H new ATOM 0 HZ3 TRP B 74 0.158 1.923 9.625 1.00 0.00 H new ATOM 0 HH2 TRP B 74 -2.186 1.371 10.117 1.00 0.00 H new ATOM 1413 N ARG B 75 4.731 -4.778 7.423 1.00 0.00 N ATOM 1414 CA ARG B 75 6.057 -5.014 6.859 1.00 0.00 C ATOM 1415 C ARG B 75 5.957 -5.516 5.423 1.00 0.00 C ATOM 1416 O ARG B 75 5.011 -6.217 5.068 1.00 0.00 O ATOM 1417 CB ARG B 75 6.825 -6.021 7.713 1.00 0.00 C ATOM 1418 CG ARG B 75 7.002 -5.579 9.156 1.00 0.00 C ATOM 1419 CD ARG B 75 7.996 -6.462 9.890 1.00 0.00 C ATOM 1420 NE ARG B 75 8.179 -6.047 11.278 1.00 0.00 N ATOM 1421 CZ ARG B 75 9.025 -6.634 12.118 1.00 0.00 C ATOM 1422 NH1 ARG B 75 9.763 -7.660 11.715 1.00 0.00 N ATOM 1423 NH2 ARG B 75 9.134 -6.195 13.365 1.00 0.00 N ATOM 0 H ARG B 75 4.071 -5.543 7.285 1.00 0.00 H new ATOM 0 HA ARG B 75 6.596 -4.067 6.855 1.00 0.00 H new ATOM 0 HB2 ARG B 75 6.300 -6.976 7.695 1.00 0.00 H new ATOM 0 HB3 ARG B 75 7.806 -6.189 7.269 1.00 0.00 H new ATOM 0 HG2 ARG B 75 7.344 -4.545 9.181 1.00 0.00 H new ATOM 0 HG3 ARG B 75 6.040 -5.609 9.668 1.00 0.00 H new ATOM 0 HD2 ARG B 75 7.651 -7.495 9.864 1.00 0.00 H new ATOM 0 HD3 ARG B 75 8.956 -6.433 9.374 1.00 0.00 H new ATOM 0 HE ARG B 75 7.626 -5.262 11.622 1.00 0.00 H new ATOM 0 HH11 ARG B 75 9.682 -8.001 10.757 1.00 0.00 H new ATOM 0 HH12 ARG B 75 10.411 -8.108 12.363 1.00 0.00 H new ATOM 0 HH21 ARG B 75 8.568 -5.407 13.679 1.00 0.00 H new ATOM 0 HH22 ARG B 75 9.783 -6.646 14.009 1.00 0.00 H new ATOM 1437 N PHE B 76 6.933 -5.146 4.598 1.00 0.00 N ATOM 1438 CA PHE B 76 6.959 -5.561 3.197 1.00 0.00 C ATOM 1439 C PHE B 76 8.403 -5.704 2.707 1.00 0.00 C ATOM 1440 O PHE B 76 9.348 -5.347 3.415 1.00 0.00 O ATOM 1441 CB PHE B 76 6.225 -4.543 2.313 1.00 0.00 C ATOM 1442 CG PHE B 76 5.076 -3.846 2.987 1.00 0.00 C ATOM 1443 CD1 PHE B 76 3.813 -4.418 3.006 1.00 0.00 C ATOM 1444 CD2 PHE B 76 5.259 -2.617 3.598 1.00 0.00 C ATOM 1445 CE1 PHE B 76 2.757 -3.777 3.621 1.00 0.00 C ATOM 1446 CE2 PHE B 76 4.203 -1.969 4.216 1.00 0.00 C ATOM 1447 CZ PHE B 76 2.951 -2.552 4.227 1.00 0.00 C ATOM 0 H PHE B 76 7.719 -4.558 4.876 1.00 0.00 H new ATOM 0 HA PHE B 76 6.455 -6.525 3.126 1.00 0.00 H new ATOM 0 HB2 PHE B 76 6.940 -3.793 1.974 1.00 0.00 H new ATOM 0 HB3 PHE B 76 5.853 -5.054 1.425 1.00 0.00 H new ATOM 0 HD1 PHE B 76 3.654 -5.376 2.534 1.00 0.00 H new ATOM 0 HD2 PHE B 76 6.237 -2.159 3.592 1.00 0.00 H new ATOM 0 HE1 PHE B 76 1.778 -4.234 3.628 1.00 0.00 H new ATOM 0 HE2 PHE B 76 4.358 -1.010 4.688 1.00 0.00 H new ATOM 0 HZ PHE B 76 2.125 -2.050 4.709 1.00 0.00 H new ATOM 1457 N ARG B 77 8.558 -6.212 1.485 1.00 0.00 N ATOM 1458 CA ARG B 77 9.876 -6.411 0.885 1.00 0.00 C ATOM 1459 C ARG B 77 9.756 -6.621 -0.621 1.00 0.00 C ATOM 1460 O ARG B 77 8.969 -7.445 -1.080 1.00 0.00 O ATOM 1461 CB ARG B 77 10.570 -7.619 1.526 1.00 0.00 C ATOM 1462 CG ARG B 77 11.674 -8.230 0.674 1.00 0.00 C ATOM 1463 CD ARG B 77 12.833 -7.270 0.465 1.00 0.00 C ATOM 1464 NE ARG B 77 13.933 -7.899 -0.260 1.00 0.00 N ATOM 1465 CZ ARG B 77 15.197 -7.874 0.151 1.00 0.00 C ATOM 1466 NH1 ARG B 77 15.524 -7.240 1.271 1.00 0.00 N ATOM 1467 NH2 ARG B 77 16.139 -8.482 -0.559 1.00 0.00 N ATOM 0 H ARG B 77 7.781 -6.495 0.888 1.00 0.00 H new ATOM 0 HA ARG B 77 10.474 -5.517 1.065 1.00 0.00 H new ATOM 0 HB2 ARG B 77 10.992 -7.315 2.484 1.00 0.00 H new ATOM 0 HB3 ARG B 77 9.823 -8.384 1.735 1.00 0.00 H new ATOM 0 HG2 ARG B 77 12.039 -9.139 1.152 1.00 0.00 H new ATOM 0 HG3 ARG B 77 11.265 -8.520 -0.294 1.00 0.00 H new ATOM 0 HD2 ARG B 77 12.486 -6.396 -0.087 1.00 0.00 H new ATOM 0 HD3 ARG B 77 13.190 -6.915 1.432 1.00 0.00 H new ATOM 0 HE ARG B 77 13.720 -8.385 -1.131 1.00 0.00 H new ATOM 0 HH11 ARG B 77 14.804 -6.770 1.820 1.00 0.00 H new ATOM 0 HH12 ARG B 77 16.495 -7.223 1.583 1.00 0.00 H new ATOM 0 HH21 ARG B 77 15.893 -8.969 -1.421 1.00 0.00 H new ATOM 0 HH22 ARG B 77 17.109 -8.462 -0.243 1.00 0.00 H new ATOM 1481 N VAL B 78 10.546 -5.875 -1.387 1.00 0.00 N ATOM 1482 CA VAL B 78 10.522 -5.990 -2.839 1.00 0.00 C ATOM 1483 C VAL B 78 11.037 -7.357 -3.277 1.00 0.00 C ATOM 1484 O VAL B 78 12.166 -7.734 -2.960 1.00 0.00 O ATOM 1485 CB VAL B 78 11.369 -4.891 -3.507 1.00 0.00 C ATOM 1486 CG1 VAL B 78 11.187 -4.921 -5.017 1.00 0.00 C ATOM 1487 CG2 VAL B 78 11.007 -3.523 -2.948 1.00 0.00 C ATOM 0 H VAL B 78 11.208 -5.187 -1.027 1.00 0.00 H new ATOM 0 HA VAL B 78 9.486 -5.871 -3.155 1.00 0.00 H new ATOM 0 HB VAL B 78 12.419 -5.083 -3.286 1.00 0.00 H new ATOM 0 HG11 VAL B 78 11.793 -4.138 -5.472 1.00 0.00 H new ATOM 0 HG12 VAL B 78 11.500 -5.892 -5.402 1.00 0.00 H new ATOM 0 HG13 VAL B 78 10.137 -4.755 -5.260 1.00 0.00 H new ATOM 0 HG21 VAL B 78 11.616 -2.759 -3.432 1.00 0.00 H new ATOM 0 HG22 VAL B 78 9.953 -3.320 -3.137 1.00 0.00 H new ATOM 0 HG23 VAL B 78 11.193 -3.508 -1.874 1.00 0.00 H new ATOM 1497 N ALA B 79 10.208 -8.097 -4.008 1.00 0.00 N ATOM 1498 CA ALA B 79 10.588 -9.427 -4.473 1.00 0.00 C ATOM 1499 C ALA B 79 10.110 -9.688 -5.899 1.00 0.00 C ATOM 1500 O ALA B 79 10.334 -10.767 -6.447 1.00 0.00 O ATOM 1501 CB ALA B 79 10.031 -10.485 -3.533 1.00 0.00 C ATOM 0 H ALA B 79 9.274 -7.800 -4.290 1.00 0.00 H new ATOM 0 HA ALA B 79 11.677 -9.479 -4.476 1.00 0.00 H new ATOM 0 HB1 ALA B 79 10.319 -11.475 -3.887 1.00 0.00 H new ATOM 0 HB2 ALA B 79 10.430 -10.328 -2.531 1.00 0.00 H new ATOM 0 HB3 ALA B 79 8.944 -10.412 -3.506 1.00 0.00 H new ATOM 1507 N ALA B 80 9.453 -8.700 -6.498 1.00 0.00 N ATOM 1508 CA ALA B 80 8.950 -8.843 -7.861 1.00 0.00 C ATOM 1509 C ALA B 80 8.841 -7.496 -8.562 1.00 0.00 C ATOM 1510 O ALA B 80 8.714 -6.454 -7.916 1.00 0.00 O ATOM 1511 CB ALA B 80 7.602 -9.545 -7.857 1.00 0.00 C ATOM 0 H ALA B 80 9.257 -7.797 -6.065 1.00 0.00 H new ATOM 0 HA ALA B 80 9.666 -9.450 -8.416 1.00 0.00 H new ATOM 0 HB1 ALA B 80 7.240 -9.644 -8.880 1.00 0.00 H new ATOM 0 HB2 ALA B 80 7.708 -10.534 -7.412 1.00 0.00 H new ATOM 0 HB3 ALA B 80 6.889 -8.961 -7.275 1.00 0.00 H new ATOM 1517 N SER B 81 8.889 -7.524 -9.891 1.00 0.00 N ATOM 1518 CA SER B 81 8.792 -6.320 -10.691 1.00 0.00 C ATOM 1519 C SER B 81 7.339 -5.986 -10.994 1.00 0.00 C ATOM 1520 O SER B 81 6.451 -6.824 -10.848 1.00 0.00 O ATOM 1521 CB SER B 81 9.567 -6.505 -11.991 1.00 0.00 C ATOM 1522 OG SER B 81 8.789 -7.191 -12.957 1.00 0.00 O ATOM 0 H SER B 81 8.996 -8.380 -10.435 1.00 0.00 H new ATOM 0 HA SER B 81 9.221 -5.492 -10.127 1.00 0.00 H new ATOM 0 HB2 SER B 81 9.863 -5.532 -12.383 1.00 0.00 H new ATOM 0 HB3 SER B 81 10.483 -7.062 -11.795 1.00 0.00 H new ATOM 0 HG SER B 81 9.308 -7.295 -13.781 1.00 0.00 H new ATOM 1528 N GLY B 82 7.112 -4.754 -11.427 1.00 0.00 N ATOM 1529 CA GLY B 82 5.767 -4.313 -11.749 1.00 0.00 C ATOM 1530 C GLY B 82 5.421 -2.979 -11.114 1.00 0.00 C ATOM 1531 O GLY B 82 6.081 -2.544 -10.169 1.00 0.00 O ATOM 0 H GLY B 82 7.837 -4.049 -11.562 1.00 0.00 H new ATOM 0 HA2 GLY B 82 5.664 -4.233 -12.831 1.00 0.00 H new ATOM 0 HA3 GLY B 82 5.053 -5.066 -11.416 1.00 0.00 H new ATOM 1535 N ASP B 83 4.385 -2.327 -11.636 1.00 0.00 N ATOM 1536 CA ASP B 83 3.949 -1.038 -11.123 1.00 0.00 C ATOM 1537 C ASP B 83 2.842 -1.207 -10.086 1.00 0.00 C ATOM 1538 O ASP B 83 1.905 -1.980 -10.284 1.00 0.00 O ATOM 1539 CB ASP B 83 3.454 -0.166 -12.275 1.00 0.00 C ATOM 1540 CG ASP B 83 2.385 -0.853 -13.102 1.00 0.00 C ATOM 1541 OD1 ASP B 83 1.190 -0.709 -12.769 1.00 0.00 O ATOM 1542 OD2 ASP B 83 2.744 -1.535 -14.086 1.00 0.00 O ATOM 0 H ASP B 83 3.831 -2.676 -12.418 1.00 0.00 H new ATOM 0 HA ASP B 83 4.798 -0.555 -10.639 1.00 0.00 H new ATOM 0 HB2 ASP B 83 3.057 0.767 -11.876 1.00 0.00 H new ATOM 0 HB3 ASP B 83 4.295 0.094 -12.917 1.00 0.00 H new ATOM 1547 N ASP B 84 2.952 -0.472 -8.981 1.00 0.00 N ATOM 1548 CA ASP B 84 1.962 -0.541 -7.911 1.00 0.00 C ATOM 1549 C ASP B 84 1.898 0.770 -7.132 1.00 0.00 C ATOM 1550 O ASP B 84 2.624 1.720 -7.425 1.00 0.00 O ATOM 1551 CB ASP B 84 2.281 -1.697 -6.963 1.00 0.00 C ATOM 1552 CG ASP B 84 1.814 -3.034 -7.504 1.00 0.00 C ATOM 1553 OD1 ASP B 84 0.710 -3.476 -7.123 1.00 0.00 O ATOM 1554 OD2 ASP B 84 2.550 -3.638 -8.313 1.00 0.00 O ATOM 0 H ASP B 84 3.718 0.178 -8.804 1.00 0.00 H new ATOM 0 HA ASP B 84 0.988 -0.714 -8.369 1.00 0.00 H new ATOM 0 HB2 ASP B 84 3.356 -1.734 -6.789 1.00 0.00 H new ATOM 0 HB3 ASP B 84 1.808 -1.513 -5.998 1.00 0.00 H new ATOM 1559 N ARG B 85 1.018 0.813 -6.136 1.00 0.00 N ATOM 1560 CA ARG B 85 0.852 2.004 -5.315 1.00 0.00 C ATOM 1561 C ARG B 85 0.165 1.661 -3.996 1.00 0.00 C ATOM 1562 O ARG B 85 -1.014 1.309 -3.974 1.00 0.00 O ATOM 1563 CB ARG B 85 0.035 3.051 -6.069 1.00 0.00 C ATOM 1564 CG ARG B 85 -0.177 4.338 -5.288 1.00 0.00 C ATOM 1565 CD ARG B 85 -0.971 5.354 -6.090 1.00 0.00 C ATOM 1566 NE ARG B 85 -0.294 5.726 -7.328 1.00 0.00 N ATOM 1567 CZ ARG B 85 -0.762 6.633 -8.182 1.00 0.00 C ATOM 1568 NH1 ARG B 85 -1.906 7.257 -7.932 1.00 0.00 N ATOM 1569 NH2 ARG B 85 -0.086 6.918 -9.287 1.00 0.00 N ATOM 0 H ARG B 85 0.410 0.036 -5.879 1.00 0.00 H new ATOM 0 HA ARG B 85 1.840 2.409 -5.096 1.00 0.00 H new ATOM 0 HB2 ARG B 85 0.537 3.284 -7.008 1.00 0.00 H new ATOM 0 HB3 ARG B 85 -0.936 2.627 -6.324 1.00 0.00 H new ATOM 0 HG2 ARG B 85 -0.701 4.118 -4.358 1.00 0.00 H new ATOM 0 HG3 ARG B 85 0.789 4.763 -5.016 1.00 0.00 H new ATOM 0 HD2 ARG B 85 -1.953 4.943 -6.324 1.00 0.00 H new ATOM 0 HD3 ARG B 85 -1.134 6.246 -5.485 1.00 0.00 H new ATOM 0 HE ARG B 85 0.588 5.265 -7.551 1.00 0.00 H new ATOM 0 HH11 ARG B 85 -2.429 7.042 -7.083 1.00 0.00 H new ATOM 0 HH12 ARG B 85 -2.262 7.952 -8.589 1.00 0.00 H new ATOM 0 HH21 ARG B 85 0.794 6.442 -9.483 1.00 0.00 H new ATOM 0 HH22 ARG B 85 -0.446 7.613 -9.940 1.00 0.00 H new ATOM 1583 N LEU B 86 0.908 1.769 -2.899 1.00 0.00 N ATOM 1584 CA LEU B 86 0.362 1.474 -1.581 1.00 0.00 C ATOM 1585 C LEU B 86 -0.785 2.420 -1.248 1.00 0.00 C ATOM 1586 O LEU B 86 -0.729 3.610 -1.556 1.00 0.00 O ATOM 1587 CB LEU B 86 1.453 1.569 -0.513 1.00 0.00 C ATOM 1588 CG LEU B 86 1.868 0.232 0.107 1.00 0.00 C ATOM 1589 CD1 LEU B 86 3.092 0.407 0.988 1.00 0.00 C ATOM 1590 CD2 LEU B 86 0.720 -0.368 0.904 1.00 0.00 C ATOM 0 H LEU B 86 1.886 2.058 -2.897 1.00 0.00 H new ATOM 0 HA LEU B 86 -0.024 0.455 -1.595 1.00 0.00 H new ATOM 0 HB2 LEU B 86 2.333 2.037 -0.954 1.00 0.00 H new ATOM 0 HB3 LEU B 86 1.106 2.229 0.282 1.00 0.00 H new ATOM 0 HG LEU B 86 2.122 -0.454 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU B 86 3.371 -0.555 1.419 1.00 0.00 H new ATOM 0 HD12 LEU B 86 3.919 0.790 0.390 1.00 0.00 H new ATOM 0 HD13 LEU B 86 2.866 1.112 1.788 1.00 0.00 H new ATOM 0 HD21 LEU B 86 1.035 -1.318 1.337 1.00 0.00 H new ATOM 0 HD22 LEU B 86 0.434 0.317 1.702 1.00 0.00 H new ATOM 0 HD23 LEU B 86 -0.132 -0.534 0.245 1.00 0.00 H new ATOM 1602 N GLU B 87 -1.829 1.885 -0.622 1.00 0.00 N ATOM 1603 CA GLU B 87 -2.991 2.685 -0.256 1.00 0.00 C ATOM 1604 C GLU B 87 -3.499 2.317 1.135 1.00 0.00 C ATOM 1605 O GLU B 87 -3.932 1.188 1.368 1.00 0.00 O ATOM 1606 CB GLU B 87 -4.110 2.499 -1.284 1.00 0.00 C ATOM 1607 CG GLU B 87 -3.702 2.855 -2.704 1.00 0.00 C ATOM 1608 CD GLU B 87 -4.890 3.020 -3.633 1.00 0.00 C ATOM 1609 OE1 GLU B 87 -5.307 2.014 -4.245 1.00 0.00 O ATOM 1610 OE2 GLU B 87 -5.405 4.153 -3.744 1.00 0.00 O ATOM 0 H GLU B 87 -1.893 0.902 -0.358 1.00 0.00 H new ATOM 0 HA GLU B 87 -2.685 3.731 -0.243 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -4.444 1.462 -1.261 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -4.962 3.114 -0.995 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -3.126 3.780 -2.691 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -3.046 2.077 -3.095 1.00 0.00 H new ATOM 1617 N LEU B 88 -3.435 3.275 2.054 1.00 0.00 N ATOM 1618 CA LEU B 88 -3.891 3.058 3.422 1.00 0.00 C ATOM 1619 C LEU B 88 -4.836 4.171 3.857 1.00 0.00 C ATOM 1620 O LEU B 88 -4.412 5.308 4.070 1.00 0.00 O ATOM 1621 CB LEU B 88 -2.701 2.987 4.383 1.00 0.00 C ATOM 1622 CG LEU B 88 -1.680 1.888 4.084 1.00 0.00 C ATOM 1623 CD1 LEU B 88 -0.702 2.339 3.013 1.00 0.00 C ATOM 1624 CD2 LEU B 88 -0.940 1.490 5.353 1.00 0.00 C ATOM 0 H LEU B 88 -3.071 4.211 1.875 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.426 2.109 3.450 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -2.188 3.949 4.371 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -3.081 2.841 5.394 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.215 1.016 3.709 1.00 0.00 H new ATOM 0 HD11 LEU B 88 0.015 1.542 2.816 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.246 2.571 2.098 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -0.172 3.228 3.355 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -0.217 0.707 5.122 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -0.418 2.358 5.757 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -1.653 1.120 6.089 1.00 0.00 H new ATOM 1636 N VAL B 89 -6.117 3.844 3.986 1.00 0.00 N ATOM 1637 CA VAL B 89 -7.114 4.827 4.397 1.00 0.00 C ATOM 1638 C VAL B 89 -7.422 4.713 5.886 1.00 0.00 C ATOM 1639 O VAL B 89 -6.987 3.772 6.550 1.00 0.00 O ATOM 1640 CB VAL B 89 -8.422 4.676 3.596 1.00 0.00 C ATOM 1641 CG1 VAL B 89 -8.161 4.871 2.110 1.00 0.00 C ATOM 1642 CG2 VAL B 89 -9.065 3.325 3.861 1.00 0.00 C ATOM 0 H VAL B 89 -6.489 2.910 3.813 1.00 0.00 H new ATOM 0 HA VAL B 89 -6.688 5.809 4.194 1.00 0.00 H new ATOM 0 HB VAL B 89 -9.117 5.448 3.925 1.00 0.00 H new ATOM 0 HG11 VAL B 89 -9.095 4.761 1.559 1.00 0.00 H new ATOM 0 HG12 VAL B 89 -7.754 5.868 1.940 1.00 0.00 H new ATOM 0 HG13 VAL B 89 -7.446 4.124 1.765 1.00 0.00 H new ATOM 0 HG21 VAL B 89 -9.987 3.241 3.285 1.00 0.00 H new ATOM 0 HG22 VAL B 89 -8.379 2.531 3.565 1.00 0.00 H new ATOM 0 HG23 VAL B 89 -9.291 3.232 4.923 1.00 0.00 H new ATOM 1652 N TYR B 90 -8.176 5.678 6.402 1.00 0.00 N ATOM 1653 CA TYR B 90 -8.538 5.697 7.814 1.00 0.00 C ATOM 1654 C TYR B 90 -10.053 5.699 7.988 1.00 0.00 C ATOM 1655 O TYR B 90 -10.705 6.731 7.825 1.00 0.00 O ATOM 1656 CB TYR B 90 -7.931 6.929 8.489 1.00 0.00 C ATOM 1657 CG TYR B 90 -8.072 6.944 9.994 1.00 0.00 C ATOM 1658 CD1 TYR B 90 -8.754 7.970 10.634 1.00 0.00 C ATOM 1659 CD2 TYR B 90 -7.519 5.937 10.773 1.00 0.00 C ATOM 1660 CE1 TYR B 90 -8.881 7.992 12.012 1.00 0.00 C ATOM 1661 CE2 TYR B 90 -7.642 5.952 12.150 1.00 0.00 C ATOM 1662 CZ TYR B 90 -8.323 6.981 12.764 1.00 0.00 C ATOM 1663 OH TYR B 90 -8.447 7.000 14.133 1.00 0.00 O ATOM 0 H TYR B 90 -8.549 6.459 5.862 1.00 0.00 H new ATOM 0 HA TYR B 90 -8.142 4.796 8.283 1.00 0.00 H new ATOM 0 HB2 TYR B 90 -6.873 6.985 8.234 1.00 0.00 H new ATOM 0 HB3 TYR B 90 -8.404 7.823 8.082 1.00 0.00 H new ATOM 0 HD1 TYR B 90 -9.192 8.764 10.047 1.00 0.00 H new ATOM 0 HD2 TYR B 90 -6.984 5.129 10.296 1.00 0.00 H new ATOM 0 HE1 TYR B 90 -9.415 8.797 12.495 1.00 0.00 H new ATOM 0 HE2 TYR B 90 -7.206 5.161 12.742 1.00 0.00 H new ATOM 0 HH TYR B 90 -8.686 6.105 14.452 1.00 0.00 H new ATOM 1673 N ARG B 91 -10.609 4.536 8.317 1.00 0.00 N ATOM 1674 CA ARG B 91 -12.047 4.404 8.509 1.00 0.00 C ATOM 1675 C ARG B 91 -12.382 3.108 9.237 1.00 0.00 C ATOM 1676 O ARG B 91 -11.497 2.304 9.536 1.00 0.00 O ATOM 1677 CB ARG B 91 -12.768 4.446 7.159 1.00 0.00 C ATOM 1678 CG ARG B 91 -12.313 3.364 6.194 1.00 0.00 C ATOM 1679 CD ARG B 91 -13.008 3.490 4.848 1.00 0.00 C ATOM 1680 NE ARG B 91 -12.607 2.433 3.922 1.00 0.00 N ATOM 1681 CZ ARG B 91 -13.064 2.330 2.678 1.00 0.00 C ATOM 1682 NH1 ARG B 91 -13.930 3.220 2.209 1.00 0.00 N ATOM 1683 NH2 ARG B 91 -12.653 1.339 1.900 1.00 0.00 N ATOM 0 H ARG B 91 -10.084 3.673 8.456 1.00 0.00 H new ATOM 0 HA ARG B 91 -12.385 5.240 9.121 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -13.840 4.345 7.326 1.00 0.00 H new ATOM 0 HB3 ARG B 91 -12.607 5.422 6.700 1.00 0.00 H new ATOM 0 HG2 ARG B 91 -11.234 3.429 6.055 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -12.521 2.383 6.621 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -14.088 3.454 4.993 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -12.777 4.461 4.411 1.00 0.00 H new ATOM 0 HE ARG B 91 -11.939 1.735 4.249 1.00 0.00 H new ATOM 0 HH11 ARG B 91 -14.247 3.986 2.804 1.00 0.00 H new ATOM 0 HH12 ARG B 91 -14.279 3.138 1.254 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -11.986 0.655 2.256 1.00 0.00 H new ATOM 0 HH22 ARG B 91 -13.004 1.261 0.946 1.00 0.00 H new ATOM 1697 N ARG B 92 -13.666 2.909 9.522 1.00 0.00 N ATOM 1698 CA ARG B 92 -14.118 1.708 10.214 1.00 0.00 C ATOM 1699 C ARG B 92 -13.879 0.467 9.352 1.00 0.00 C ATOM 1700 O ARG B 92 -14.365 0.387 8.224 1.00 0.00 O ATOM 1701 CB ARG B 92 -15.601 1.834 10.572 1.00 0.00 C ATOM 1702 CG ARG B 92 -15.904 3.017 11.479 1.00 0.00 C ATOM 1703 CD ARG B 92 -17.388 3.119 11.798 1.00 0.00 C ATOM 1704 NE ARG B 92 -17.681 4.234 12.693 1.00 0.00 N ATOM 1705 CZ ARG B 92 -18.893 4.494 13.178 1.00 0.00 C ATOM 1706 NH1 ARG B 92 -19.921 3.720 12.852 1.00 0.00 N ATOM 1707 NH2 ARG B 92 -19.078 5.526 13.988 1.00 0.00 N ATOM 0 H ARG B 92 -14.411 3.564 9.284 1.00 0.00 H new ATOM 0 HA ARG B 92 -13.543 1.600 11.134 1.00 0.00 H new ATOM 0 HB2 ARG B 92 -16.182 1.931 9.655 1.00 0.00 H new ATOM 0 HB3 ARG B 92 -15.928 0.917 11.062 1.00 0.00 H new ATOM 0 HG2 ARG B 92 -15.339 2.918 12.406 1.00 0.00 H new ATOM 0 HG3 ARG B 92 -15.571 3.937 10.999 1.00 0.00 H new ATOM 0 HD2 ARG B 92 -17.950 3.240 10.872 1.00 0.00 H new ATOM 0 HD3 ARG B 92 -17.725 2.189 12.256 1.00 0.00 H new ATOM 0 HE ARG B 92 -16.913 4.849 12.962 1.00 0.00 H new ATOM 0 HH11 ARG B 92 -19.783 2.924 12.229 1.00 0.00 H new ATOM 0 HH12 ARG B 92 -20.849 3.921 13.225 1.00 0.00 H new ATOM 0 HH21 ARG B 92 -18.291 6.123 14.241 1.00 0.00 H new ATOM 0 HH22 ARG B 92 -20.008 5.723 14.358 1.00 0.00 H new ATOM 1721 N PRO B 93 -13.128 -0.524 9.874 1.00 0.00 N ATOM 1722 CA PRO B 93 -12.816 -1.756 9.143 1.00 0.00 C ATOM 1723 C PRO B 93 -14.008 -2.703 9.028 1.00 0.00 C ATOM 1724 O PRO B 93 -13.967 -3.671 8.271 1.00 0.00 O ATOM 1725 CB PRO B 93 -11.705 -2.415 9.976 1.00 0.00 C ATOM 1726 CG PRO B 93 -11.344 -1.437 11.046 1.00 0.00 C ATOM 1727 CD PRO B 93 -12.524 -0.528 11.211 1.00 0.00 C ATOM 0 HA PRO B 93 -12.528 -1.534 8.116 1.00 0.00 H new ATOM 0 HB2 PRO B 93 -12.049 -3.354 10.409 1.00 0.00 H new ATOM 0 HB3 PRO B 93 -10.840 -2.648 9.355 1.00 0.00 H new ATOM 0 HG2 PRO B 93 -11.117 -1.951 11.980 1.00 0.00 H new ATOM 0 HG3 PRO B 93 -10.455 -0.871 10.769 1.00 0.00 H new ATOM 0 HD2 PRO B 93 -13.217 -0.900 11.966 1.00 0.00 H new ATOM 0 HD3 PRO B 93 -12.222 0.473 11.520 1.00 0.00 H new ATOM 1735 N TRP B 94 -15.070 -2.424 9.779 1.00 0.00 N ATOM 1736 CA TRP B 94 -16.258 -3.267 9.756 1.00 0.00 C ATOM 1737 C TRP B 94 -17.337 -2.668 8.861 1.00 0.00 C ATOM 1738 O TRP B 94 -18.498 -3.072 8.916 1.00 0.00 O ATOM 1739 CB TRP B 94 -16.797 -3.455 11.175 1.00 0.00 C ATOM 1740 CG TRP B 94 -17.232 -2.176 11.821 1.00 0.00 C ATOM 1741 CD1 TRP B 94 -18.425 -1.535 11.650 1.00 0.00 C ATOM 1742 CD2 TRP B 94 -16.478 -1.384 12.744 1.00 0.00 C ATOM 1743 NE1 TRP B 94 -18.456 -0.389 12.405 1.00 0.00 N ATOM 1744 CE2 TRP B 94 -17.272 -0.275 13.087 1.00 0.00 C ATOM 1745 CE3 TRP B 94 -15.207 -1.503 13.313 1.00 0.00 C ATOM 1746 CZ2 TRP B 94 -16.838 0.707 13.971 1.00 0.00 C ATOM 1747 CZ3 TRP B 94 -14.778 -0.529 14.193 1.00 0.00 C ATOM 1748 CH2 TRP B 94 -15.592 0.565 14.514 1.00 0.00 C ATOM 0 H TRP B 94 -15.131 -1.623 10.408 1.00 0.00 H new ATOM 0 HA TRP B 94 -15.978 -4.238 9.348 1.00 0.00 H new ATOM 0 HB2 TRP B 94 -17.641 -4.144 11.147 1.00 0.00 H new ATOM 0 HB3 TRP B 94 -16.026 -3.920 11.790 1.00 0.00 H new ATOM 0 HD1 TRP B 94 -19.227 -1.879 11.014 1.00 0.00 H new ATOM 0 HE1 TRP B 94 -19.233 0.270 12.451 1.00 0.00 H new ATOM 0 HE3 TRP B 94 -14.572 -2.342 13.069 1.00 0.00 H new ATOM 0 HZ2 TRP B 94 -17.463 1.552 14.220 1.00 0.00 H new ATOM 0 HZ3 TRP B 94 -13.799 -0.612 14.641 1.00 0.00 H new ATOM 0 HH2 TRP B 94 -15.228 1.311 15.204 1.00 0.00 H new ATOM 1759 N GLU B 95 -16.945 -1.706 8.032 1.00 0.00 N ATOM 1760 CA GLU B 95 -17.880 -1.046 7.129 1.00 0.00 C ATOM 1761 C GLU B 95 -17.494 -1.282 5.673 1.00 0.00 C ATOM 1762 O GLU B 95 -16.310 -1.354 5.337 1.00 0.00 O ATOM 1763 CB GLU B 95 -17.925 0.452 7.424 1.00 0.00 C ATOM 1764 CG GLU B 95 -18.372 0.774 8.837 1.00 0.00 C ATOM 1765 CD GLU B 95 -19.866 0.602 9.029 1.00 0.00 C ATOM 1766 OE1 GLU B 95 -20.604 1.599 8.878 1.00 0.00 O ATOM 1767 OE2 GLU B 95 -20.299 -0.529 9.331 1.00 0.00 O ATOM 0 H GLU B 95 -15.985 -1.366 7.967 1.00 0.00 H new ATOM 0 HA GLU B 95 -18.870 -1.473 7.292 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -16.935 0.877 7.258 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -18.602 0.934 6.718 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -17.843 0.128 9.538 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -18.094 1.800 9.077 1.00 0.00 H new ATOM 1774 N LYS B 96 -18.500 -1.399 4.811 1.00 0.00 N ATOM 1775 CA LYS B 96 -18.268 -1.626 3.390 1.00 0.00 C ATOM 1776 C LYS B 96 -18.204 -0.304 2.633 1.00 0.00 C ATOM 1777 O LYS B 96 -19.233 0.247 2.239 1.00 0.00 O ATOM 1778 CB LYS B 96 -19.372 -2.510 2.806 1.00 0.00 C ATOM 1779 CG LYS B 96 -19.495 -3.866 3.485 1.00 0.00 C ATOM 1780 CD LYS B 96 -18.256 -4.722 3.265 1.00 0.00 C ATOM 1781 CE LYS B 96 -18.093 -5.110 1.805 1.00 0.00 C ATOM 1782 NZ LYS B 96 -19.269 -5.870 1.298 1.00 0.00 N ATOM 0 H LYS B 96 -19.484 -1.340 5.073 1.00 0.00 H new ATOM 0 HA LYS B 96 -17.310 -2.134 3.280 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -20.325 -1.986 2.886 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -19.180 -2.662 1.744 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -19.654 -3.724 4.554 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -20.371 -4.388 3.099 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -17.373 -4.176 3.597 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -18.323 -5.622 3.876 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -17.955 -4.211 1.204 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -17.193 -5.713 1.688 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -19.018 -6.345 0.408 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -19.552 -6.581 2.002 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -20.059 -5.215 1.130 1.00 0.00 H new ATOM 1796 N ASP B 97 -16.988 0.201 2.436 1.00 0.00 N ATOM 1797 CA ASP B 97 -16.780 1.459 1.725 1.00 0.00 C ATOM 1798 C ASP B 97 -17.538 2.601 2.396 1.00 0.00 C ATOM 1799 O ASP B 97 -18.728 2.802 2.147 1.00 0.00 O ATOM 1800 CB ASP B 97 -17.219 1.327 0.264 1.00 0.00 C ATOM 1801 CG ASP B 97 -17.005 2.607 -0.521 1.00 0.00 C ATOM 1802 OD1 ASP B 97 -15.909 2.778 -1.092 1.00 0.00 O ATOM 1803 OD2 ASP B 97 -17.938 3.438 -0.565 1.00 0.00 O ATOM 0 H ASP B 97 -16.129 -0.244 2.760 1.00 0.00 H new ATOM 0 HA ASP B 97 -15.715 1.689 1.757 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -16.663 0.517 -0.208 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -18.273 1.053 0.227 1.00 0.00 H new ATOM 1808 N ALA B 98 -16.842 3.345 3.250 1.00 0.00 N ATOM 1809 CA ALA B 98 -17.446 4.468 3.957 1.00 0.00 C ATOM 1810 C ALA B 98 -16.536 5.692 3.916 1.00 0.00 C ATOM 1811 O ALA B 98 -15.386 5.606 3.483 1.00 0.00 O ATOM 1812 CB ALA B 98 -17.752 4.083 5.396 1.00 0.00 C ATOM 0 H ALA B 98 -15.858 3.190 3.469 1.00 0.00 H new ATOM 0 HA ALA B 98 -18.380 4.723 3.456 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -18.203 4.931 5.912 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -18.445 3.241 5.408 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -16.828 3.800 5.901 1.00 0.00 H new ATOM 1818 N GLU B 99 -17.056 6.827 4.370 1.00 0.00 N ATOM 1819 CA GLU B 99 -16.284 8.067 4.383 1.00 0.00 C ATOM 1820 C GLU B 99 -15.146 7.992 5.398 1.00 0.00 C ATOM 1821 O GLU B 99 -15.383 7.942 6.605 1.00 0.00 O ATOM 1822 CB GLU B 99 -17.192 9.255 4.697 1.00 0.00 C ATOM 1823 CG GLU B 99 -18.096 9.637 3.542 1.00 0.00 C ATOM 1824 CD GLU B 99 -18.848 10.931 3.789 1.00 0.00 C ATOM 1825 OE1 GLU B 99 -19.960 10.873 4.353 1.00 0.00 O ATOM 1826 OE2 GLU B 99 -18.322 12.003 3.417 1.00 0.00 O ATOM 0 H GLU B 99 -18.005 6.916 4.733 1.00 0.00 H new ATOM 0 HA GLU B 99 -15.850 8.205 3.393 1.00 0.00 H new ATOM 0 HB2 GLU B 99 -17.805 9.016 5.566 1.00 0.00 H new ATOM 0 HB3 GLU B 99 -16.577 10.113 4.967 1.00 0.00 H new ATOM 0 HG2 GLU B 99 -17.498 9.736 2.636 1.00 0.00 H new ATOM 0 HG3 GLU B 99 -18.812 8.834 3.365 1.00 0.00 H new ATOM 1833 N PRO B 100 -13.889 7.984 4.917 1.00 0.00 N ATOM 1834 CA PRO B 100 -12.710 7.912 5.770 1.00 0.00 C ATOM 1835 C PRO B 100 -12.225 9.290 6.207 1.00 0.00 C ATOM 1836 O PRO B 100 -12.215 10.234 5.417 1.00 0.00 O ATOM 1837 CB PRO B 100 -11.662 7.240 4.867 1.00 0.00 C ATOM 1838 CG PRO B 100 -12.249 7.204 3.483 1.00 0.00 C ATOM 1839 CD PRO B 100 -13.502 8.038 3.509 1.00 0.00 C ATOM 0 HA PRO B 100 -12.909 7.373 6.696 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -10.726 7.799 4.877 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -11.436 6.233 5.218 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -11.540 7.597 2.754 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -12.475 6.179 3.187 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -13.316 9.060 3.178 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -14.276 7.628 2.860 1.00 0.00 H new ATOM 1847 N ALA B 101 -11.823 9.399 7.470 1.00 0.00 N ATOM 1848 CA ALA B 101 -11.331 10.661 8.010 1.00 0.00 C ATOM 1849 C ALA B 101 -9.979 11.017 7.400 1.00 0.00 C ATOM 1850 O ALA B 101 -9.831 12.057 6.758 1.00 0.00 O ATOM 1851 CB ALA B 101 -11.234 10.586 9.525 1.00 0.00 C ATOM 0 H ALA B 101 -11.829 8.628 8.138 1.00 0.00 H new ATOM 0 HA ALA B 101 -12.039 11.448 7.748 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -10.865 11.535 9.913 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -12.220 10.381 9.943 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -10.547 9.788 9.807 1.00 0.00 H new ATOM 1857 N GLU B 102 -8.994 10.146 7.606 1.00 0.00 N ATOM 1858 CA GLU B 102 -7.655 10.362 7.072 1.00 0.00 C ATOM 1859 C GLU B 102 -7.434 9.524 5.819 1.00 0.00 C ATOM 1860 O GLU B 102 -8.346 8.853 5.336 1.00 0.00 O ATOM 1861 CB GLU B 102 -6.598 10.009 8.118 1.00 0.00 C ATOM 1862 CG GLU B 102 -6.227 11.165 9.027 1.00 0.00 C ATOM 1863 CD GLU B 102 -5.246 10.766 10.110 1.00 0.00 C ATOM 1864 OE1 GLU B 102 -5.699 10.358 11.200 1.00 0.00 O ATOM 1865 OE2 GLU B 102 -4.024 10.858 9.870 1.00 0.00 O ATOM 0 H GLU B 102 -9.100 9.283 8.140 1.00 0.00 H new ATOM 0 HA GLU B 102 -7.562 11.417 6.813 1.00 0.00 H new ATOM 0 HB2 GLU B 102 -6.965 9.183 8.727 1.00 0.00 H new ATOM 0 HB3 GLU B 102 -5.701 9.656 7.610 1.00 0.00 H new ATOM 0 HG2 GLU B 102 -5.795 11.968 8.429 1.00 0.00 H new ATOM 0 HG3 GLU B 102 -7.130 11.563 9.489 1.00 0.00 H new ATOM 1872 N SER B 103 -6.213 9.571 5.298 1.00 0.00 N ATOM 1873 CA SER B 103 -5.861 8.817 4.102 1.00 0.00 C ATOM 1874 C SER B 103 -4.349 8.768 3.914 1.00 0.00 C ATOM 1875 O SER B 103 -3.615 9.574 4.487 1.00 0.00 O ATOM 1876 CB SER B 103 -6.517 9.443 2.875 1.00 0.00 C ATOM 1877 OG SER B 103 -6.107 8.793 1.684 1.00 0.00 O ATOM 0 H SER B 103 -5.449 10.125 5.686 1.00 0.00 H new ATOM 0 HA SER B 103 -6.226 7.797 4.223 1.00 0.00 H new ATOM 0 HB2 SER B 103 -7.601 9.384 2.970 1.00 0.00 H new ATOM 0 HB3 SER B 103 -6.259 10.501 2.822 1.00 0.00 H new ATOM 0 HG SER B 103 -6.544 9.214 0.914 1.00 0.00 H new ATOM 1883 N PHE B 104 -3.891 7.818 3.107 1.00 0.00 N ATOM 1884 CA PHE B 104 -2.465 7.666 2.840 1.00 0.00 C ATOM 1885 C PHE B 104 -2.235 6.895 1.543 1.00 0.00 C ATOM 1886 O PHE B 104 -3.047 6.052 1.160 1.00 0.00 O ATOM 1887 CB PHE B 104 -1.783 6.948 4.006 1.00 0.00 C ATOM 1888 CG PHE B 104 -0.283 6.930 3.912 1.00 0.00 C ATOM 1889 CD1 PHE B 104 0.467 7.988 4.400 1.00 0.00 C ATOM 1890 CD2 PHE B 104 0.377 5.856 3.337 1.00 0.00 C ATOM 1891 CE1 PHE B 104 1.846 7.976 4.318 1.00 0.00 C ATOM 1892 CE2 PHE B 104 1.756 5.838 3.251 1.00 0.00 C ATOM 1893 CZ PHE B 104 2.492 6.899 3.742 1.00 0.00 C ATOM 0 H PHE B 104 -4.485 7.142 2.627 1.00 0.00 H new ATOM 0 HA PHE B 104 -2.030 8.659 2.731 1.00 0.00 H new ATOM 0 HB2 PHE B 104 -2.074 7.432 4.939 1.00 0.00 H new ATOM 0 HB3 PHE B 104 -2.147 5.922 4.052 1.00 0.00 H new ATOM 0 HD1 PHE B 104 -0.033 8.833 4.850 1.00 0.00 H new ATOM 0 HD2 PHE B 104 -0.193 5.023 2.952 1.00 0.00 H new ATOM 0 HE1 PHE B 104 2.418 8.807 4.703 1.00 0.00 H new ATOM 0 HE2 PHE B 104 2.258 4.995 2.800 1.00 0.00 H new ATOM 0 HZ PHE B 104 3.570 6.887 3.676 1.00 0.00 H new ATOM 1903 N SER B 105 -1.126 7.192 0.870 1.00 0.00 N ATOM 1904 CA SER B 105 -0.791 6.525 -0.383 1.00 0.00 C ATOM 1905 C SER B 105 0.677 6.742 -0.738 1.00 0.00 C ATOM 1906 O SER B 105 1.253 7.784 -0.424 1.00 0.00 O ATOM 1907 CB SER B 105 -1.680 7.040 -1.515 1.00 0.00 C ATOM 1908 OG SER B 105 -1.517 8.436 -1.700 1.00 0.00 O ATOM 0 H SER B 105 -0.446 7.889 1.172 1.00 0.00 H new ATOM 0 HA SER B 105 -0.963 5.457 -0.253 1.00 0.00 H new ATOM 0 HB2 SER B 105 -1.436 6.517 -2.440 1.00 0.00 H new ATOM 0 HB3 SER B 105 -2.724 6.820 -1.290 1.00 0.00 H new ATOM 0 HG SER B 105 -2.095 8.739 -2.431 1.00 0.00 H new ATOM 1914 N CYS B 106 1.276 5.751 -1.392 1.00 0.00 N ATOM 1915 CA CYS B 106 2.678 5.838 -1.788 1.00 0.00 C ATOM 1916 C CYS B 106 2.912 5.202 -3.153 1.00 0.00 C ATOM 1917 O CYS B 106 2.352 4.150 -3.466 1.00 0.00 O ATOM 1918 CB CYS B 106 3.570 5.160 -0.746 1.00 0.00 C ATOM 1919 SG CYS B 106 4.009 6.221 0.669 1.00 0.00 S ATOM 0 H CYS B 106 0.814 4.881 -1.658 1.00 0.00 H new ATOM 0 HA CYS B 106 2.936 6.895 -1.853 1.00 0.00 H new ATOM 0 HB2 CYS B 106 3.062 4.270 -0.374 1.00 0.00 H new ATOM 0 HB3 CYS B 106 4.486 4.825 -1.232 1.00 0.00 H new ATOM 1924 N ALA B 107 3.746 5.849 -3.962 1.00 0.00 N ATOM 1925 CA ALA B 107 4.072 5.347 -5.292 1.00 0.00 C ATOM 1926 C ALA B 107 5.199 4.327 -5.203 1.00 0.00 C ATOM 1927 O ALA B 107 6.244 4.598 -4.610 1.00 0.00 O ATOM 1928 CB ALA B 107 4.463 6.497 -6.213 1.00 0.00 C ATOM 0 H ALA B 107 4.209 6.724 -3.718 1.00 0.00 H new ATOM 0 HA ALA B 107 3.191 4.859 -5.709 1.00 0.00 H new ATOM 0 HB1 ALA B 107 4.703 6.106 -7.202 1.00 0.00 H new ATOM 0 HB2 ALA B 107 3.632 7.198 -6.292 1.00 0.00 H new ATOM 0 HB3 ALA B 107 5.333 7.010 -5.805 1.00 0.00 H new ATOM 1934 N ILE B 108 4.987 3.152 -5.789 1.00 0.00 N ATOM 1935 CA ILE B 108 5.996 2.097 -5.756 1.00 0.00 C ATOM 1936 C ILE B 108 6.025 1.311 -7.060 1.00 0.00 C ATOM 1937 O ILE B 108 4.985 0.919 -7.585 1.00 0.00 O ATOM 1938 CB ILE B 108 5.755 1.122 -4.588 1.00 0.00 C ATOM 1939 CG1 ILE B 108 5.507 1.895 -3.291 1.00 0.00 C ATOM 1940 CG2 ILE B 108 6.942 0.182 -4.436 1.00 0.00 C ATOM 1941 CD1 ILE B 108 5.195 1.014 -2.100 1.00 0.00 C ATOM 0 H ILE B 108 4.132 2.907 -6.289 1.00 0.00 H new ATOM 0 HA ILE B 108 6.957 2.592 -5.616 1.00 0.00 H new ATOM 0 HB ILE B 108 4.868 0.526 -4.805 1.00 0.00 H new ATOM 0 HG12 ILE B 108 6.387 2.497 -3.064 1.00 0.00 H new ATOM 0 HG13 ILE B 108 4.679 2.587 -3.445 1.00 0.00 H new ATOM 0 HG21 ILE B 108 6.760 -0.502 -3.607 1.00 0.00 H new ATOM 0 HG22 ILE B 108 7.075 -0.388 -5.355 1.00 0.00 H new ATOM 0 HG23 ILE B 108 7.843 0.763 -4.236 1.00 0.00 H new ATOM 0 HD11 ILE B 108 5.032 1.636 -1.220 1.00 0.00 H new ATOM 0 HD12 ILE B 108 4.297 0.431 -2.304 1.00 0.00 H new ATOM 0 HD13 ILE B 108 6.031 0.339 -1.917 1.00 0.00 H new ATOM 1953 N GLN B 109 7.225 1.081 -7.575 1.00 0.00 N ATOM 1954 CA GLN B 109 7.398 0.339 -8.817 1.00 0.00 C ATOM 1955 C GLN B 109 8.821 -0.193 -8.938 1.00 0.00 C ATOM 1956 O GLN B 109 9.777 0.457 -8.513 1.00 0.00 O ATOM 1957 CB GLN B 109 7.071 1.228 -10.018 1.00 0.00 C ATOM 1958 CG GLN B 109 7.239 0.529 -11.360 1.00 0.00 C ATOM 1959 CD GLN B 109 7.035 1.466 -12.534 1.00 0.00 C ATOM 1960 OE1 GLN B 109 5.918 1.624 -13.031 1.00 0.00 O ATOM 1961 NE2 GLN B 109 8.114 2.095 -12.986 1.00 0.00 N ATOM 0 H GLN B 109 8.096 1.399 -7.150 1.00 0.00 H new ATOM 0 HA GLN B 109 6.711 -0.508 -8.803 1.00 0.00 H new ATOM 0 HB2 GLN B 109 6.044 1.581 -9.928 1.00 0.00 H new ATOM 0 HB3 GLN B 109 7.714 2.108 -9.993 1.00 0.00 H new ATOM 0 HG2 GLN B 109 8.237 0.093 -11.416 1.00 0.00 H new ATOM 0 HG3 GLN B 109 6.528 -0.294 -11.429 1.00 0.00 H new ATOM 0 HE21 GLN B 109 9.020 1.935 -12.545 1.00 0.00 H new ATOM 0 HE22 GLN B 109 8.037 2.738 -13.774 1.00 0.00 H new ATOM 1970 N VAL B 110 8.952 -1.377 -9.523 1.00 0.00 N ATOM 1971 CA VAL B 110 10.256 -2.003 -9.704 1.00 0.00 C ATOM 1972 C VAL B 110 10.561 -2.193 -11.185 1.00 0.00 C ATOM 1973 O VAL B 110 9.666 -2.099 -12.026 1.00 0.00 O ATOM 1974 CB VAL B 110 10.318 -3.367 -8.988 1.00 0.00 C ATOM 1975 CG1 VAL B 110 11.754 -3.851 -8.866 1.00 0.00 C ATOM 1976 CG2 VAL B 110 9.671 -3.274 -7.618 1.00 0.00 C ATOM 0 H VAL B 110 8.169 -1.924 -9.881 1.00 0.00 H new ATOM 0 HA VAL B 110 11.003 -1.341 -9.266 1.00 0.00 H new ATOM 0 HB VAL B 110 9.766 -4.092 -9.587 1.00 0.00 H new ATOM 0 HG11 VAL B 110 11.771 -4.815 -8.357 1.00 0.00 H new ATOM 0 HG12 VAL B 110 12.188 -3.958 -9.860 1.00 0.00 H new ATOM 0 HG13 VAL B 110 12.334 -3.128 -8.293 1.00 0.00 H new ATOM 0 HG21 VAL B 110 9.722 -4.245 -7.125 1.00 0.00 H new ATOM 0 HG22 VAL B 110 10.197 -2.533 -7.017 1.00 0.00 H new ATOM 0 HG23 VAL B 110 8.628 -2.978 -7.728 1.00 0.00 H new ATOM 1986 N ARG B 111 11.825 -2.460 -11.500 1.00 0.00 N ATOM 1987 CA ARG B 111 12.247 -2.656 -12.880 1.00 0.00 C ATOM 1988 C ARG B 111 11.912 -1.439 -13.737 1.00 0.00 C ATOM 1989 O ARG B 111 10.816 -1.422 -14.338 1.00 0.00 O ATOM 1990 CB ARG B 111 11.589 -3.908 -13.462 1.00 0.00 C ATOM 1991 CG ARG B 111 12.445 -5.154 -13.369 1.00 0.00 C ATOM 1992 CD ARG B 111 12.986 -5.335 -11.972 1.00 0.00 C ATOM 1993 NE ARG B 111 13.685 -6.607 -11.811 1.00 0.00 N ATOM 1994 CZ ARG B 111 14.758 -6.768 -11.043 1.00 0.00 C ATOM 1995 NH1 ARG B 111 15.246 -5.743 -10.357 1.00 0.00 N ATOM 1996 NH2 ARG B 111 15.342 -7.955 -10.958 1.00 0.00 N ATOM 1997 OXT ARG B 111 12.746 -0.512 -13.800 1.00 0.00 O ATOM 0 H ARG B 111 12.576 -2.545 -10.815 1.00 0.00 H new ATOM 0 HA ARG B 111 13.329 -2.787 -12.886 1.00 0.00 H new ATOM 0 HB2 ARG B 111 10.648 -4.087 -12.942 1.00 0.00 H new ATOM 0 HB3 ARG B 111 11.345 -3.725 -14.508 1.00 0.00 H new ATOM 0 HG2 ARG B 111 11.855 -6.026 -13.650 1.00 0.00 H new ATOM 0 HG3 ARG B 111 13.271 -5.086 -14.077 1.00 0.00 H new ATOM 0 HD2 ARG B 111 13.667 -4.516 -11.739 1.00 0.00 H new ATOM 0 HD3 ARG B 111 12.165 -5.280 -11.257 1.00 0.00 H new ATOM 0 HE ARG B 111 13.330 -7.418 -12.317 1.00 0.00 H new ATOM 0 HH11 ARG B 111 14.798 -4.829 -10.418 1.00 0.00 H new ATOM 0 HH12 ARG B 111 16.069 -5.869 -9.768 1.00 0.00 H new ATOM 0 HH21 ARG B 111 14.968 -8.746 -11.482 1.00 0.00 H new ATOM 0 HH22 ARG B 111 16.165 -8.077 -10.368 1.00 0.00 H new TER 2011 ARG B 111