USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 982 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 HIS : no HE2:sc= 0.476 K(o=-1.3,f=-5.9!) USER MOD Set 1.2: A 98 ASN : amide:sc= -1.95! K(o=-1.3!,f=-2.3) USER MOD Set 1.3: A 100 THR OG1 : rot 89:sc= 0.205 USER MOD Set 2.1: A 62 TYR OH : rot 130:sc= -2.7! USER MOD Set 2.2: A 79 HIS : no HD1:sc= -0.963! C(o=-3.7!,f=-1.6!) USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 11 GLN : amide:sc= -0.354 K(o=-0.35,f=-4.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= -0.0532 (180deg=-0.0769) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0912 K(o=-0.091,f=-1.3!) USER MOD Single : A 18 THR OG1 : rot 94:sc= 1.25 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.271 K(o=-0.27,f=-0.97) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -24:sc= 1.25 USER MOD Single : A 40 HIS : no HD1:sc= -4.59! K(o=-4.6!,f=-1.8) USER MOD Single : A 44 THR OG1 : rot -140:sc= 0.752 USER MOD Single : A 47 SER OG : rot -46:sc= 0.134 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0713) USER MOD Single : A 54 GLN : amide:sc= -0.071 K(o=-0.071,f=-0.93) USER MOD Single : A 59 GLN : amide:sc= 0.788 K(o=0.79,f=0) USER MOD Single : A 64 SER OG : rot 78:sc= 0.997 USER MOD Single : A 65 LYS NZ :NH3+ 175:sc= -4.17! (180deg=-4.22!) USER MOD Single : A 68 SER OG : rot -34:sc= 0.18 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -54:sc= -1.84! USER MOD Single : A 86 MET CE :methyl -152:sc= -0.29 (180deg=-1.23) USER MOD Single : A 87 SER OG : rot 65:sc= 1.3 USER MOD Single : A 88 GLN : amide:sc= -0.0486 K(o=-0.049,f=-1.7) USER MOD Single : A 92 SER OG : rot 76:sc= 1.23 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.53) USER MOD Single : A 112 HIS : no HD1:sc= -0.601 K(o=-0.6,f=-0.098) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 114 HIS : no HD1:sc= -0.642 X(o=-0.64,f=-0.2) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.026) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.721 29.662 -6.051 1.00 0.00 N ATOM 2 CA MET A 1 1.785 29.966 -7.158 1.00 0.00 C ATOM 3 C MET A 1 1.988 29.003 -8.329 1.00 0.00 C ATOM 4 O MET A 1 1.028 28.616 -8.992 1.00 0.00 O ATOM 5 CB MET A 1 1.944 31.422 -7.626 1.00 0.00 C ATOM 6 CG MET A 1 3.286 31.735 -8.269 1.00 0.00 C ATOM 7 SD MET A 1 3.417 33.450 -8.810 1.00 0.00 S ATOM 8 CE MET A 1 5.036 33.438 -9.579 1.00 0.00 C ATOM 0 H1 MET A 1 2.529 30.296 -5.250 1.00 0.00 H new ATOM 0 H2 MET A 1 2.593 28.675 -5.750 1.00 0.00 H new ATOM 0 H3 MET A 1 3.699 29.801 -6.375 1.00 0.00 H new ATOM 0 HA MET A 1 0.771 29.835 -6.781 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.152 31.650 -8.339 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.802 32.083 -6.771 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.084 31.521 -7.557 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.437 31.076 -9.124 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.263 34.432 -9.965 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.787 33.155 -8.842 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.044 32.720 -10.399 1.00 0.00 H new ATOM 20 N ILE A 2 3.236 28.608 -8.582 1.00 0.00 N ATOM 21 CA ILE A 2 3.527 27.680 -9.667 1.00 0.00 C ATOM 22 C ILE A 2 3.683 26.264 -9.127 1.00 0.00 C ATOM 23 O ILE A 2 4.058 26.076 -7.968 1.00 0.00 O ATOM 24 CB ILE A 2 4.800 28.075 -10.453 1.00 0.00 C ATOM 25 CG1 ILE A 2 6.021 28.112 -9.527 1.00 0.00 C ATOM 26 CG2 ILE A 2 4.604 29.420 -11.144 1.00 0.00 C ATOM 27 CD1 ILE A 2 7.319 28.429 -10.242 1.00 0.00 C ATOM 0 H ILE A 2 4.053 28.915 -8.054 1.00 0.00 H new ATOM 0 HA ILE A 2 2.683 27.723 -10.355 1.00 0.00 H new ATOM 0 HB ILE A 2 4.980 27.319 -11.218 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.854 28.857 -8.749 1.00 0.00 H new ATOM 0 HG13 ILE A 2 6.117 27.147 -9.029 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.509 29.683 -11.692 1.00 0.00 H new ATOM 0 HG22 ILE A 2 3.766 29.354 -11.838 1.00 0.00 H new ATOM 0 HG23 ILE A 2 4.397 30.186 -10.397 1.00 0.00 H new ATOM 0 HD11 ILE A 2 8.138 28.438 -9.523 1.00 0.00 H new ATOM 0 HD12 ILE A 2 7.511 27.671 -11.001 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.243 29.407 -10.717 1.00 0.00 H new ATOM 39 N GLU A 3 3.396 25.283 -9.977 1.00 0.00 N ATOM 40 CA GLU A 3 3.425 23.871 -9.595 1.00 0.00 C ATOM 41 C GLU A 3 2.494 23.612 -8.409 1.00 0.00 C ATOM 42 O GLU A 3 2.947 23.322 -7.301 1.00 0.00 O ATOM 43 CB GLU A 3 4.853 23.424 -9.259 1.00 0.00 C ATOM 44 CG GLU A 3 5.834 23.603 -10.406 1.00 0.00 C ATOM 45 CD GLU A 3 5.437 22.820 -11.637 1.00 0.00 C ATOM 46 OE1 GLU A 3 5.815 21.635 -11.737 1.00 0.00 O ATOM 47 OE2 GLU A 3 4.751 23.386 -12.515 1.00 0.00 O ATOM 0 H GLU A 3 3.137 25.442 -10.951 1.00 0.00 H new ATOM 0 HA GLU A 3 3.074 23.286 -10.445 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.208 23.989 -8.397 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.837 22.374 -8.967 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.902 24.661 -10.659 1.00 0.00 H new ATOM 0 HG3 GLU A 3 6.826 23.288 -10.083 1.00 0.00 H new ATOM 54 N PRO A 4 1.173 23.730 -8.625 1.00 0.00 N ATOM 55 CA PRO A 4 0.181 23.595 -7.566 1.00 0.00 C ATOM 56 C PRO A 4 -0.216 22.142 -7.303 1.00 0.00 C ATOM 57 O PRO A 4 -0.921 21.851 -6.334 1.00 0.00 O ATOM 58 CB PRO A 4 -1.026 24.386 -8.100 1.00 0.00 C ATOM 59 CG PRO A 4 -0.667 24.822 -9.492 1.00 0.00 C ATOM 60 CD PRO A 4 0.531 24.015 -9.907 1.00 0.00 C ATOM 0 HA PRO A 4 0.565 23.958 -6.613 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -1.923 23.767 -8.106 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -1.237 25.247 -7.466 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -1.500 24.656 -10.175 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -0.442 25.888 -9.517 1.00 0.00 H new ATOM 0 HD2 PRO A 4 0.245 23.103 -10.431 1.00 0.00 H new ATOM 0 HD3 PRO A 4 1.186 24.574 -10.575 1.00 0.00 H new ATOM 68 N SER A 5 0.233 21.234 -8.159 1.00 0.00 N ATOM 69 CA SER A 5 -0.128 19.833 -8.029 1.00 0.00 C ATOM 70 C SER A 5 1.010 19.033 -7.400 1.00 0.00 C ATOM 71 O SER A 5 2.006 18.713 -8.058 1.00 0.00 O ATOM 72 CB SER A 5 -0.496 19.251 -9.397 1.00 0.00 C ATOM 73 OG SER A 5 -1.015 17.934 -9.278 1.00 0.00 O ATOM 0 H SER A 5 0.845 21.443 -8.947 1.00 0.00 H new ATOM 0 HA SER A 5 -0.995 19.763 -7.372 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.233 19.892 -9.880 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.385 19.240 -10.038 1.00 0.00 H new ATOM 0 HG SER A 5 -1.242 17.590 -10.167 1.00 0.00 H new ATOM 79 N LYS A 6 0.865 18.733 -6.116 1.00 0.00 N ATOM 80 CA LYS A 6 1.824 17.907 -5.405 1.00 0.00 C ATOM 81 C LYS A 6 1.091 17.016 -4.406 1.00 0.00 C ATOM 82 O LYS A 6 0.788 17.435 -3.288 1.00 0.00 O ATOM 83 CB LYS A 6 2.863 18.777 -4.685 1.00 0.00 C ATOM 84 CG LYS A 6 3.984 17.978 -4.043 1.00 0.00 C ATOM 85 CD LYS A 6 5.044 18.882 -3.434 1.00 0.00 C ATOM 86 CE LYS A 6 6.194 18.073 -2.864 1.00 0.00 C ATOM 87 NZ LYS A 6 7.250 18.941 -2.276 1.00 0.00 N ATOM 0 H LYS A 6 0.084 19.054 -5.544 1.00 0.00 H new ATOM 0 HA LYS A 6 2.351 17.280 -6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.292 19.481 -5.398 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.362 19.366 -3.917 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.572 17.329 -3.270 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.444 17.331 -4.790 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.420 19.568 -4.193 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.598 19.490 -2.647 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.816 17.394 -2.100 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.628 17.456 -3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.016 18.348 -1.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.630 19.571 -3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.843 19.511 -1.507 1.00 0.00 H new ATOM 101 N ILE A 7 0.771 15.802 -4.834 1.00 0.00 N ATOM 102 CA ILE A 7 0.046 14.859 -3.996 1.00 0.00 C ATOM 103 C ILE A 7 0.405 13.420 -4.371 1.00 0.00 C ATOM 104 O ILE A 7 0.022 12.917 -5.429 1.00 0.00 O ATOM 105 CB ILE A 7 -1.488 15.082 -4.087 1.00 0.00 C ATOM 106 CG1 ILE A 7 -2.240 13.986 -3.323 1.00 0.00 C ATOM 107 CG2 ILE A 7 -1.949 15.155 -5.539 1.00 0.00 C ATOM 108 CD1 ILE A 7 -3.744 14.150 -3.344 1.00 0.00 C ATOM 0 H ILE A 7 1.004 15.447 -5.761 1.00 0.00 H new ATOM 0 HA ILE A 7 0.345 15.034 -2.963 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.719 16.040 -3.620 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.983 13.017 -3.750 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.899 13.978 -2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.027 15.312 -5.571 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.447 15.983 -6.039 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.703 14.222 -6.046 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.206 13.338 -2.783 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.012 15.104 -2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.098 14.127 -4.375 1.00 0.00 H new ATOM 120 N THR A 8 1.179 12.779 -3.514 1.00 0.00 N ATOM 121 CA THR A 8 1.591 11.403 -3.734 1.00 0.00 C ATOM 122 C THR A 8 1.165 10.520 -2.563 1.00 0.00 C ATOM 123 O THR A 8 0.643 11.023 -1.563 1.00 0.00 O ATOM 124 CB THR A 8 3.115 11.313 -3.937 1.00 0.00 C ATOM 125 OG1 THR A 8 3.794 12.021 -2.889 1.00 0.00 O ATOM 126 CG2 THR A 8 3.518 11.891 -5.286 1.00 0.00 C ATOM 0 H THR A 8 1.537 13.192 -2.653 1.00 0.00 H new ATOM 0 HA THR A 8 1.099 11.046 -4.639 1.00 0.00 H new ATOM 0 HB THR A 8 3.399 10.261 -3.909 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.762 11.957 -3.025 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.599 11.816 -5.406 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.025 11.334 -6.083 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.219 12.938 -5.337 1.00 0.00 H new ATOM 134 N VAL A 9 1.392 9.213 -2.692 1.00 0.00 N ATOM 135 CA VAL A 9 1.009 8.245 -1.659 1.00 0.00 C ATOM 136 C VAL A 9 1.586 8.615 -0.291 1.00 0.00 C ATOM 137 O VAL A 9 0.856 8.670 0.700 1.00 0.00 O ATOM 138 CB VAL A 9 1.461 6.810 -2.033 1.00 0.00 C ATOM 139 CG1 VAL A 9 1.256 5.843 -0.876 1.00 0.00 C ATOM 140 CG2 VAL A 9 0.722 6.315 -3.264 1.00 0.00 C ATOM 0 H VAL A 9 1.842 8.796 -3.507 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.079 8.273 -1.599 1.00 0.00 H new ATOM 0 HB VAL A 9 2.527 6.852 -2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.583 4.846 -1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.838 6.175 -0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.200 5.814 -0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.056 5.306 -3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.350 6.305 -3.065 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.929 6.978 -4.104 1.00 0.00 H new ATOM 150 N GLU A 10 2.886 8.893 -0.248 1.00 0.00 N ATOM 151 CA GLU A 10 3.566 9.180 1.014 1.00 0.00 C ATOM 152 C GLU A 10 2.974 10.415 1.696 1.00 0.00 C ATOM 153 O GLU A 10 2.717 10.410 2.902 1.00 0.00 O ATOM 154 CB GLU A 10 5.075 9.366 0.789 1.00 0.00 C ATOM 155 CG GLU A 10 5.430 10.454 -0.217 1.00 0.00 C ATOM 156 CD GLU A 10 6.926 10.663 -0.355 1.00 0.00 C ATOM 157 OE1 GLU A 10 7.535 11.238 0.572 1.00 0.00 O ATOM 158 OE2 GLU A 10 7.499 10.268 -1.392 1.00 0.00 O ATOM 0 H GLU A 10 3.489 8.926 -1.070 1.00 0.00 H new ATOM 0 HA GLU A 10 3.414 8.325 1.673 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.546 9.602 1.743 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.499 8.421 0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.013 10.193 -1.190 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.964 11.391 0.088 1.00 0.00 H new ATOM 165 N GLN A 11 2.728 11.454 0.907 1.00 0.00 N ATOM 166 CA GLN A 11 2.237 12.721 1.428 1.00 0.00 C ATOM 167 C GLN A 11 0.787 12.609 1.881 1.00 0.00 C ATOM 168 O GLN A 11 0.390 13.212 2.879 1.00 0.00 O ATOM 169 CB GLN A 11 2.365 13.808 0.362 1.00 0.00 C ATOM 170 CG GLN A 11 3.802 14.122 -0.025 1.00 0.00 C ATOM 171 CD GLN A 11 3.888 15.032 -1.232 1.00 0.00 C ATOM 172 OE1 GLN A 11 2.997 15.845 -1.480 1.00 0.00 O ATOM 173 NE2 GLN A 11 4.967 14.906 -1.988 1.00 0.00 N ATOM 0 H GLN A 11 2.862 11.442 -0.104 1.00 0.00 H new ATOM 0 HA GLN A 11 2.843 12.987 2.294 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.818 13.497 -0.528 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.889 14.719 0.726 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.308 14.592 0.818 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.330 13.192 -0.236 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.682 14.219 -1.746 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.084 15.496 -2.812 1.00 0.00 H new ATOM 182 N TRP A 12 0.002 11.834 1.148 1.00 0.00 N ATOM 183 CA TRP A 12 -1.418 11.704 1.437 1.00 0.00 C ATOM 184 C TRP A 12 -1.643 10.860 2.690 1.00 0.00 C ATOM 185 O TRP A 12 -2.358 11.274 3.601 1.00 0.00 O ATOM 186 CB TRP A 12 -2.149 11.089 0.239 1.00 0.00 C ATOM 187 CG TRP A 12 -3.639 11.215 0.314 1.00 0.00 C ATOM 188 CD1 TRP A 12 -4.383 12.295 -0.061 1.00 0.00 C ATOM 189 CD2 TRP A 12 -4.567 10.231 0.790 1.00 0.00 C ATOM 190 NE1 TRP A 12 -5.716 12.045 0.148 1.00 0.00 N ATOM 191 CE2 TRP A 12 -5.855 10.786 0.673 1.00 0.00 C ATOM 192 CE3 TRP A 12 -4.435 8.939 1.305 1.00 0.00 C ATOM 193 CZ2 TRP A 12 -7.002 10.089 1.049 1.00 0.00 C ATOM 194 CZ3 TRP A 12 -5.572 8.249 1.678 1.00 0.00 C ATOM 195 CH2 TRP A 12 -6.840 8.826 1.550 1.00 0.00 C ATOM 0 H TRP A 12 0.324 11.286 0.350 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.823 12.699 1.621 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.798 11.569 -0.675 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -1.886 10.034 0.166 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.981 13.213 -0.464 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.479 12.691 -0.054 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.460 8.487 1.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -7.983 10.530 0.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -5.481 7.249 2.075 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -7.710 8.262 1.853 1.00 0.00 H new ATOM 206 N LEU A 13 -1.011 9.690 2.739 1.00 0.00 N ATOM 207 CA LEU A 13 -1.191 8.765 3.856 1.00 0.00 C ATOM 208 C LEU A 13 -0.759 9.397 5.174 1.00 0.00 C ATOM 209 O LEU A 13 -1.472 9.308 6.175 1.00 0.00 O ATOM 210 CB LEU A 13 -0.409 7.468 3.631 1.00 0.00 C ATOM 211 CG LEU A 13 -0.890 6.598 2.466 1.00 0.00 C ATOM 212 CD1 LEU A 13 -0.073 5.320 2.392 1.00 0.00 C ATOM 213 CD2 LEU A 13 -2.374 6.274 2.605 1.00 0.00 C ATOM 0 H LEU A 13 -0.369 9.359 2.018 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.255 8.533 3.910 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.638 7.721 3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.452 6.876 4.545 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.751 7.158 1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.425 4.711 1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.978 5.568 2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.184 4.763 3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.692 5.655 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.543 5.735 3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.949 7.200 2.611 1.00 0.00 H new ATOM 225 N ASN A 14 0.408 10.037 5.167 1.00 0.00 N ATOM 226 CA ASN A 14 0.946 10.662 6.372 1.00 0.00 C ATOM 227 C ASN A 14 -0.020 11.693 6.945 1.00 0.00 C ATOM 228 O ASN A 14 -0.262 11.724 8.151 1.00 0.00 O ATOM 229 CB ASN A 14 2.297 11.321 6.096 1.00 0.00 C ATOM 230 CG ASN A 14 3.461 10.351 6.180 1.00 0.00 C ATOM 231 OD1 ASN A 14 3.436 9.383 6.946 1.00 0.00 O ATOM 232 ND2 ASN A 14 4.496 10.614 5.402 1.00 0.00 N ATOM 0 H ASN A 14 0.998 10.136 4.341 1.00 0.00 H new ATOM 0 HA ASN A 14 1.084 9.869 7.107 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.279 11.772 5.104 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.453 12.129 6.811 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.315 10.006 5.420 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.476 11.425 4.783 1.00 0.00 H new ATOM 239 N ARG A 15 -0.583 12.526 6.082 1.00 0.00 N ATOM 240 CA ARG A 15 -1.503 13.561 6.528 1.00 0.00 C ATOM 241 C ARG A 15 -2.811 12.941 6.998 1.00 0.00 C ATOM 242 O ARG A 15 -3.359 13.326 8.031 1.00 0.00 O ATOM 243 CB ARG A 15 -1.781 14.562 5.406 1.00 0.00 C ATOM 244 CG ARG A 15 -2.571 15.771 5.876 1.00 0.00 C ATOM 245 CD ARG A 15 -2.909 16.716 4.737 1.00 0.00 C ATOM 246 NE ARG A 15 -3.461 17.972 5.239 1.00 0.00 N ATOM 247 CZ ARG A 15 -4.398 18.686 4.625 1.00 0.00 C ATOM 248 NH1 ARG A 15 -4.920 18.279 3.477 1.00 0.00 N ATOM 249 NH2 ARG A 15 -4.819 19.817 5.165 1.00 0.00 N ATOM 0 H ARG A 15 -0.420 12.506 5.075 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.038 14.089 7.360 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.835 14.896 4.981 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.331 14.063 4.608 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.492 15.437 6.354 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.996 16.307 6.631 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.013 16.918 4.151 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.627 16.242 4.068 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.101 18.326 6.125 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.603 17.407 3.053 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.639 18.838 3.017 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.425 20.138 6.049 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.538 20.369 4.697 1.00 0.00 H new ATOM 263 N TRP A 16 -3.287 11.961 6.239 1.00 0.00 N ATOM 264 CA TRP A 16 -4.560 11.315 6.514 1.00 0.00 C ATOM 265 C TRP A 16 -4.582 10.720 7.920 1.00 0.00 C ATOM 266 O TRP A 16 -5.510 10.963 8.686 1.00 0.00 O ATOM 267 CB TRP A 16 -4.829 10.231 5.465 1.00 0.00 C ATOM 268 CG TRP A 16 -6.202 9.637 5.537 1.00 0.00 C ATOM 269 CD1 TRP A 16 -7.392 10.305 5.470 1.00 0.00 C ATOM 270 CD2 TRP A 16 -6.530 8.249 5.670 1.00 0.00 C ATOM 271 NE1 TRP A 16 -8.437 9.419 5.566 1.00 0.00 N ATOM 272 CE2 TRP A 16 -7.933 8.151 5.686 1.00 0.00 C ATOM 273 CE3 TRP A 16 -5.772 7.080 5.779 1.00 0.00 C ATOM 274 CZ2 TRP A 16 -8.593 6.932 5.807 1.00 0.00 C ATOM 275 CZ3 TRP A 16 -6.429 5.869 5.897 1.00 0.00 C ATOM 276 CH2 TRP A 16 -7.826 5.804 5.910 1.00 0.00 C ATOM 0 H TRP A 16 -2.802 11.595 5.420 1.00 0.00 H new ATOM 0 HA TRP A 16 -5.348 12.066 6.460 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -4.681 10.656 4.472 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -4.094 9.435 5.584 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.496 11.374 5.358 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.427 9.665 5.550 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -4.693 7.122 5.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -9.672 6.878 5.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -5.854 4.959 5.980 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -8.310 4.843 6.003 1.00 0.00 H new ATOM 287 N LEU A 17 -3.545 9.970 8.272 1.00 0.00 N ATOM 288 CA LEU A 17 -3.495 9.325 9.581 1.00 0.00 C ATOM 289 C LEU A 17 -3.336 10.354 10.703 1.00 0.00 C ATOM 290 O LEU A 17 -3.811 10.143 11.819 1.00 0.00 O ATOM 291 CB LEU A 17 -2.375 8.266 9.627 1.00 0.00 C ATOM 292 CG LEU A 17 -0.946 8.761 9.357 1.00 0.00 C ATOM 293 CD1 LEU A 17 -0.297 9.307 10.623 1.00 0.00 C ATOM 294 CD2 LEU A 17 -0.100 7.641 8.769 1.00 0.00 C ATOM 0 H LEU A 17 -2.735 9.794 7.678 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.445 8.815 9.741 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.392 7.795 10.610 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.610 7.490 8.898 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.006 9.576 8.635 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.713 9.648 10.396 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.886 10.142 11.003 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.253 8.521 11.377 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.910 8.007 8.583 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.061 6.808 9.471 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.542 7.305 7.831 1.00 0.00 H new ATOM 306 N THR A 18 -2.698 11.476 10.396 1.00 0.00 N ATOM 307 CA THR A 18 -2.430 12.497 11.400 1.00 0.00 C ATOM 308 C THR A 18 -3.720 13.175 11.869 1.00 0.00 C ATOM 309 O THR A 18 -3.982 13.262 13.069 1.00 0.00 O ATOM 310 CB THR A 18 -1.445 13.560 10.867 1.00 0.00 C ATOM 311 OG1 THR A 18 -0.210 12.934 10.485 1.00 0.00 O ATOM 312 CG2 THR A 18 -1.168 14.626 11.917 1.00 0.00 C ATOM 0 H THR A 18 -2.357 11.702 9.462 1.00 0.00 H new ATOM 0 HA THR A 18 -1.975 11.993 12.253 1.00 0.00 H new ATOM 0 HB THR A 18 -1.900 14.038 10.000 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.234 12.720 9.529 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.471 15.361 11.514 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.101 15.120 12.188 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.733 14.161 12.802 1.00 0.00 H new ATOM 320 N ASP A 19 -4.536 13.630 10.928 1.00 0.00 N ATOM 321 CA ASP A 19 -5.749 14.366 11.273 1.00 0.00 C ATOM 322 C ASP A 19 -6.891 13.422 11.629 1.00 0.00 C ATOM 323 O ASP A 19 -7.840 13.811 12.306 1.00 0.00 O ATOM 324 CB ASP A 19 -6.175 15.278 10.122 1.00 0.00 C ATOM 325 CG ASP A 19 -5.212 16.426 9.887 1.00 0.00 C ATOM 326 OD1 ASP A 19 -5.058 17.285 10.784 1.00 0.00 O ATOM 327 OD2 ASP A 19 -4.618 16.486 8.792 1.00 0.00 O ATOM 0 H ASP A 19 -4.384 13.505 9.927 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.521 14.976 12.147 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.257 14.688 9.209 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.166 15.680 10.332 1.00 0.00 H new ATOM 332 N TYR A 20 -6.805 12.184 11.167 1.00 0.00 N ATOM 333 CA TYR A 20 -7.851 11.200 11.425 1.00 0.00 C ATOM 334 C TYR A 20 -7.463 10.252 12.556 1.00 0.00 C ATOM 335 O TYR A 20 -8.164 9.276 12.821 1.00 0.00 O ATOM 336 CB TYR A 20 -8.180 10.415 10.153 1.00 0.00 C ATOM 337 CG TYR A 20 -8.924 11.233 9.116 1.00 0.00 C ATOM 338 CD1 TYR A 20 -8.276 12.217 8.378 1.00 0.00 C ATOM 339 CD2 TYR A 20 -10.277 11.024 8.877 1.00 0.00 C ATOM 340 CE1 TYR A 20 -8.951 12.967 7.436 1.00 0.00 C ATOM 341 CE2 TYR A 20 -10.958 11.772 7.934 1.00 0.00 C ATOM 342 CZ TYR A 20 -10.290 12.742 7.217 1.00 0.00 C ATOM 343 OH TYR A 20 -10.964 13.488 6.279 1.00 0.00 O ATOM 0 H TYR A 20 -6.024 11.835 10.612 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.743 11.742 11.740 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -7.254 10.043 9.715 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -8.780 9.544 10.417 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.224 12.398 8.545 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.805 10.266 9.436 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.430 13.727 6.873 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -12.009 11.597 7.760 1.00 0.00 H new ATOM 0 HH TYR A 20 -11.901 13.203 6.247 1.00 0.00 H new ATOM 353 N ALA A 21 -6.337 10.545 13.204 1.00 0.00 N ATOM 354 CA ALA A 21 -5.822 9.740 14.314 1.00 0.00 C ATOM 355 C ALA A 21 -6.880 9.416 15.377 1.00 0.00 C ATOM 356 O ALA A 21 -6.841 8.342 15.983 1.00 0.00 O ATOM 357 CB ALA A 21 -4.642 10.450 14.963 1.00 0.00 C ATOM 0 H ALA A 21 -5.753 11.349 12.975 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.507 8.788 13.887 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.263 9.847 15.788 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.852 10.592 14.225 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.964 11.420 15.341 1.00 0.00 H new ATOM 363 N LYS A 22 -7.817 10.330 15.620 1.00 0.00 N ATOM 364 CA LYS A 22 -8.852 10.086 16.619 1.00 0.00 C ATOM 365 C LYS A 22 -10.145 9.608 15.969 1.00 0.00 C ATOM 366 O LYS A 22 -10.783 10.340 15.214 1.00 0.00 O ATOM 367 CB LYS A 22 -9.126 11.336 17.460 1.00 0.00 C ATOM 368 CG LYS A 22 -7.949 11.771 18.315 1.00 0.00 C ATOM 369 CD LYS A 22 -8.383 12.743 19.398 1.00 0.00 C ATOM 370 CE LYS A 22 -8.872 14.063 18.825 1.00 0.00 C ATOM 371 NZ LYS A 22 -9.474 14.925 19.876 1.00 0.00 N ATOM 0 H LYS A 22 -7.881 11.232 15.147 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.480 9.301 17.277 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.403 12.155 16.796 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.982 11.146 18.107 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.486 10.897 18.772 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.193 12.239 17.685 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.177 12.291 19.992 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.547 12.929 20.072 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.040 14.588 18.356 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.608 13.871 18.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.797 15.817 19.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.283 14.434 20.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.763 15.128 20.608 1.00 0.00 H new ATOM 385 N PRO A 23 -10.556 8.369 16.271 1.00 0.00 N ATOM 386 CA PRO A 23 -11.782 7.780 15.737 1.00 0.00 C ATOM 387 C PRO A 23 -12.991 8.070 16.621 1.00 0.00 C ATOM 388 O PRO A 23 -13.891 7.237 16.747 1.00 0.00 O ATOM 389 CB PRO A 23 -11.451 6.294 15.757 1.00 0.00 C ATOM 390 CG PRO A 23 -10.573 6.118 16.953 1.00 0.00 C ATOM 391 CD PRO A 23 -9.851 7.427 17.162 1.00 0.00 C ATOM 0 HA PRO A 23 -12.052 8.172 14.756 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.354 5.688 15.836 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.941 5.989 14.843 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.164 5.858 17.831 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -9.863 5.306 16.795 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.900 7.749 18.202 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -8.795 7.347 16.903 1.00 0.00 H new ATOM 399 N HIS A 24 -13.005 9.267 17.214 1.00 0.00 N ATOM 400 CA HIS A 24 -14.048 9.680 18.161 1.00 0.00 C ATOM 401 C HIS A 24 -13.933 8.877 19.453 1.00 0.00 C ATOM 402 O HIS A 24 -13.383 9.355 20.445 1.00 0.00 O ATOM 403 CB HIS A 24 -15.455 9.524 17.561 1.00 0.00 C ATOM 404 CG HIS A 24 -15.678 10.327 16.318 1.00 0.00 C ATOM 405 ND1 HIS A 24 -15.601 9.790 15.050 1.00 0.00 N ATOM 406 CD2 HIS A 24 -15.983 11.635 16.152 1.00 0.00 C ATOM 407 CE1 HIS A 24 -15.846 10.733 14.162 1.00 0.00 C ATOM 408 NE2 HIS A 24 -16.082 11.862 14.803 1.00 0.00 N ATOM 0 H HIS A 24 -12.293 9.979 17.052 1.00 0.00 H new ATOM 0 HA HIS A 24 -13.898 10.737 18.380 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -15.629 8.471 17.338 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -16.192 9.817 18.308 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -16.123 12.365 16.936 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -15.852 10.603 13.090 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -16.302 12.757 14.367 1.00 0.00 H new ATOM 417 N LEU A 25 -14.428 7.649 19.421 1.00 0.00 N ATOM 418 CA LEU A 25 -14.325 6.748 20.555 1.00 0.00 C ATOM 419 C LEU A 25 -13.286 5.681 20.252 1.00 0.00 C ATOM 420 O LEU A 25 -13.447 4.897 19.316 1.00 0.00 O ATOM 421 CB LEU A 25 -15.678 6.092 20.852 1.00 0.00 C ATOM 422 CG LEU A 25 -16.799 7.051 21.258 1.00 0.00 C ATOM 423 CD1 LEU A 25 -18.103 6.293 21.457 1.00 0.00 C ATOM 424 CD2 LEU A 25 -16.424 7.807 22.524 1.00 0.00 C ATOM 0 H LEU A 25 -14.909 7.253 18.614 1.00 0.00 H new ATOM 0 HA LEU A 25 -14.023 7.317 21.434 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.997 5.541 19.967 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.541 5.362 21.650 1.00 0.00 H new ATOM 0 HG LEU A 25 -16.939 7.774 20.455 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -18.889 6.991 21.745 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -18.381 5.797 20.527 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -17.974 5.547 22.241 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -17.234 8.484 22.797 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -16.255 7.098 23.335 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.514 8.381 22.349 1.00 0.00 H new ATOM 436 N ARG A 26 -12.211 5.665 21.024 1.00 0.00 N ATOM 437 CA ARG A 26 -11.141 4.706 20.794 1.00 0.00 C ATOM 438 C ARG A 26 -11.490 3.356 21.415 1.00 0.00 C ATOM 439 O ARG A 26 -11.176 3.076 22.573 1.00 0.00 O ATOM 440 CB ARG A 26 -9.801 5.250 21.309 1.00 0.00 C ATOM 441 CG ARG A 26 -9.804 5.678 22.770 1.00 0.00 C ATOM 442 CD ARG A 26 -8.597 6.544 23.091 1.00 0.00 C ATOM 443 NE ARG A 26 -8.680 7.850 22.432 1.00 0.00 N ATOM 444 CZ ARG A 26 -7.634 8.532 21.969 1.00 0.00 C ATOM 445 NH1 ARG A 26 -6.412 8.018 22.028 1.00 0.00 N ATOM 446 NH2 ARG A 26 -7.825 9.730 21.430 1.00 0.00 N ATOM 0 H ARG A 26 -12.056 6.298 21.808 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.032 4.552 19.720 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.037 4.485 21.171 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.512 6.103 20.696 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.719 6.229 22.988 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.803 4.796 23.410 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.525 6.684 24.170 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.687 6.033 22.775 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.604 8.266 22.320 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.267 7.092 22.431 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.618 8.549 21.671 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.766 10.120 21.374 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.031 10.261 21.072 1.00 0.00 H new ATOM 460 N GLN A 27 -12.175 2.536 20.632 1.00 0.00 N ATOM 461 CA GLN A 27 -12.655 1.244 21.097 1.00 0.00 C ATOM 462 C GLN A 27 -11.623 0.164 20.804 1.00 0.00 C ATOM 463 O GLN A 27 -11.307 -0.663 21.662 1.00 0.00 O ATOM 464 CB GLN A 27 -13.974 0.896 20.405 1.00 0.00 C ATOM 465 CG GLN A 27 -15.004 2.015 20.440 1.00 0.00 C ATOM 466 CD GLN A 27 -15.440 2.371 21.848 1.00 0.00 C ATOM 467 OE1 GLN A 27 -14.846 3.230 22.497 1.00 0.00 O ATOM 468 NE2 GLN A 27 -16.477 1.708 22.329 1.00 0.00 N ATOM 0 H GLN A 27 -12.412 2.746 19.662 1.00 0.00 H new ATOM 0 HA GLN A 27 -12.818 1.298 22.173 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.770 0.636 19.366 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.398 0.010 20.878 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.588 2.900 19.959 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.877 1.717 19.859 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -16.941 1.003 21.757 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -16.813 1.901 23.272 1.00 0.00 H new ATOM 477 N SER A 28 -11.108 0.179 19.588 1.00 0.00 N ATOM 478 CA SER A 28 -10.114 -0.791 19.168 1.00 0.00 C ATOM 479 C SER A 28 -8.716 -0.328 19.562 1.00 0.00 C ATOM 480 O SER A 28 -8.437 0.873 19.613 1.00 0.00 O ATOM 481 CB SER A 28 -10.197 -0.996 17.654 1.00 0.00 C ATOM 482 OG SER A 28 -11.512 -1.364 17.263 1.00 0.00 O ATOM 0 H SER A 28 -11.364 0.857 18.870 1.00 0.00 H new ATOM 0 HA SER A 28 -10.315 -1.739 19.667 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.905 -0.079 17.142 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.493 -1.770 17.349 1.00 0.00 H new ATOM 0 HG SER A 28 -11.542 -1.488 16.291 1.00 0.00 H new ATOM 488 N THR A 29 -7.852 -1.284 19.862 1.00 0.00 N ATOM 489 CA THR A 29 -6.472 -0.990 20.197 1.00 0.00 C ATOM 490 C THR A 29 -5.658 -0.850 18.915 1.00 0.00 C ATOM 491 O THR A 29 -6.118 -1.247 17.845 1.00 0.00 O ATOM 492 CB THR A 29 -5.875 -2.112 21.070 1.00 0.00 C ATOM 493 OG1 THR A 29 -6.895 -2.652 21.920 1.00 0.00 O ATOM 494 CG2 THR A 29 -4.729 -1.591 21.928 1.00 0.00 C ATOM 0 H THR A 29 -8.086 -2.277 19.880 1.00 0.00 H new ATOM 0 HA THR A 29 -6.438 -0.057 20.759 1.00 0.00 H new ATOM 0 HB THR A 29 -5.487 -2.888 20.410 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.515 -3.366 22.473 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.328 -2.405 22.533 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.943 -1.196 21.284 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.095 -0.799 22.582 1.00 0.00 H new ATOM 502 N TRP A 30 -4.461 -0.281 19.019 1.00 0.00 N ATOM 503 CA TRP A 30 -3.590 -0.115 17.860 1.00 0.00 C ATOM 504 C TRP A 30 -3.336 -1.470 17.202 1.00 0.00 C ATOM 505 O TRP A 30 -2.764 -2.373 17.820 1.00 0.00 O ATOM 506 CB TRP A 30 -2.258 0.520 18.272 1.00 0.00 C ATOM 507 CG TRP A 30 -2.404 1.726 19.153 1.00 0.00 C ATOM 508 CD1 TRP A 30 -3.181 2.827 18.930 1.00 0.00 C ATOM 509 CD2 TRP A 30 -1.732 1.955 20.396 1.00 0.00 C ATOM 510 NE1 TRP A 30 -3.041 3.718 19.966 1.00 0.00 N ATOM 511 CE2 TRP A 30 -2.155 3.207 20.873 1.00 0.00 C ATOM 512 CE3 TRP A 30 -0.812 1.221 21.151 1.00 0.00 C ATOM 513 CZ2 TRP A 30 -1.695 3.740 22.072 1.00 0.00 C ATOM 514 CZ3 TRP A 30 -0.355 1.753 22.341 1.00 0.00 C ATOM 515 CH2 TRP A 30 -0.795 3.002 22.789 1.00 0.00 C ATOM 0 H TRP A 30 -4.072 0.073 19.893 1.00 0.00 H new ATOM 0 HA TRP A 30 -4.084 0.545 17.148 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -1.657 -0.226 18.791 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -1.709 0.803 17.374 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -3.812 2.975 18.066 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -3.520 4.615 20.046 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.465 0.257 20.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -2.036 4.702 22.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.354 1.195 22.935 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -0.416 3.392 23.722 1.00 0.00 H new ATOM 526 N GLU A 31 -3.771 -1.614 15.963 1.00 0.00 N ATOM 527 CA GLU A 31 -3.673 -2.882 15.263 1.00 0.00 C ATOM 528 C GLU A 31 -2.408 -2.932 14.416 1.00 0.00 C ATOM 529 O GLU A 31 -1.671 -1.950 14.324 1.00 0.00 O ATOM 530 CB GLU A 31 -4.911 -3.126 14.387 1.00 0.00 C ATOM 531 CG GLU A 31 -5.059 -2.166 13.211 1.00 0.00 C ATOM 532 CD GLU A 31 -5.435 -0.756 13.619 1.00 0.00 C ATOM 533 OE1 GLU A 31 -4.527 0.031 13.949 1.00 0.00 O ATOM 534 OE2 GLU A 31 -6.639 -0.427 13.592 1.00 0.00 O ATOM 0 H GLU A 31 -4.198 -0.864 15.419 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.623 -3.673 16.011 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.873 -4.146 14.003 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.801 -3.054 15.012 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.121 -2.136 12.657 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.818 -2.553 12.531 1.00 0.00 H new ATOM 541 N SER A 32 -2.166 -4.075 13.791 1.00 0.00 N ATOM 542 CA SER A 32 -0.966 -4.272 12.990 1.00 0.00 C ATOM 543 C SER A 32 -1.015 -3.443 11.703 1.00 0.00 C ATOM 544 O SER A 32 0.028 -3.077 11.156 1.00 0.00 O ATOM 545 CB SER A 32 -0.808 -5.755 12.661 1.00 0.00 C ATOM 546 OG SER A 32 -1.025 -6.554 13.818 1.00 0.00 O ATOM 0 H SER A 32 -2.787 -4.883 13.823 1.00 0.00 H new ATOM 0 HA SER A 32 -0.105 -3.935 13.568 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.515 -6.037 11.881 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.191 -5.941 12.267 1.00 0.00 H new ATOM 0 HG SER A 32 -0.921 -7.500 13.586 1.00 0.00 H new ATOM 552 N TYR A 33 -2.233 -3.138 11.243 1.00 0.00 N ATOM 553 CA TYR A 33 -2.437 -2.337 10.033 1.00 0.00 C ATOM 554 C TYR A 33 -1.698 -1.006 10.132 1.00 0.00 C ATOM 555 O TYR A 33 -1.097 -0.543 9.163 1.00 0.00 O ATOM 556 CB TYR A 33 -3.931 -2.066 9.807 1.00 0.00 C ATOM 557 CG TYR A 33 -4.758 -3.292 9.474 1.00 0.00 C ATOM 558 CD1 TYR A 33 -5.162 -4.178 10.463 1.00 0.00 C ATOM 559 CD2 TYR A 33 -5.147 -3.551 8.167 1.00 0.00 C ATOM 560 CE1 TYR A 33 -5.927 -5.287 10.158 1.00 0.00 C ATOM 561 CE2 TYR A 33 -5.911 -4.658 7.854 1.00 0.00 C ATOM 562 CZ TYR A 33 -6.298 -5.522 8.853 1.00 0.00 C ATOM 563 OH TYR A 33 -7.059 -6.627 8.546 1.00 0.00 O ATOM 0 H TYR A 33 -3.097 -3.437 11.695 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.041 -2.906 9.191 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.341 -1.602 10.704 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.036 -1.344 8.997 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.873 -3.997 11.488 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.847 -2.874 7.381 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.233 -5.967 10.940 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.203 -4.845 6.831 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.235 -6.646 7.582 1.00 0.00 H new ATOM 573 N GLU A 34 -1.741 -0.420 11.325 1.00 0.00 N ATOM 574 CA GLU A 34 -1.140 0.878 11.597 1.00 0.00 C ATOM 575 C GLU A 34 0.347 0.895 11.240 1.00 0.00 C ATOM 576 O GLU A 34 0.856 1.881 10.695 1.00 0.00 O ATOM 577 CB GLU A 34 -1.367 1.221 13.081 1.00 0.00 C ATOM 578 CG GLU A 34 -0.752 2.532 13.552 1.00 0.00 C ATOM 579 CD GLU A 34 0.666 2.374 14.069 1.00 0.00 C ATOM 580 OE1 GLU A 34 1.110 1.225 14.272 1.00 0.00 O ATOM 581 OE2 GLU A 34 1.342 3.404 14.277 1.00 0.00 O ATOM 0 H GLU A 34 -2.198 -0.838 12.136 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.614 1.635 10.972 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.440 1.255 13.268 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.963 0.411 13.689 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.754 3.244 12.727 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.374 2.956 14.340 1.00 0.00 H new ATOM 588 N THR A 35 1.034 -0.200 11.520 1.00 0.00 N ATOM 589 CA THR A 35 2.470 -0.264 11.314 1.00 0.00 C ATOM 590 C THR A 35 2.827 -0.765 9.911 1.00 0.00 C ATOM 591 O THR A 35 3.507 -0.069 9.155 1.00 0.00 O ATOM 592 CB THR A 35 3.131 -1.179 12.363 1.00 0.00 C ATOM 593 OG1 THR A 35 2.589 -0.902 13.663 1.00 0.00 O ATOM 594 CG2 THR A 35 4.641 -0.977 12.387 1.00 0.00 C ATOM 0 H THR A 35 0.620 -1.056 11.890 1.00 0.00 H new ATOM 0 HA THR A 35 2.849 0.752 11.422 1.00 0.00 H new ATOM 0 HB THR A 35 2.923 -2.214 12.092 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.237 0.012 13.683 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.084 -1.634 13.135 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.055 -1.212 11.407 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.865 0.060 12.636 1.00 0.00 H new ATOM 602 N VAL A 36 2.335 -1.955 9.555 1.00 0.00 N ATOM 603 CA VAL A 36 2.753 -2.625 8.320 1.00 0.00 C ATOM 604 C VAL A 36 2.445 -1.792 7.079 1.00 0.00 C ATOM 605 O VAL A 36 3.204 -1.809 6.109 1.00 0.00 O ATOM 606 CB VAL A 36 2.095 -4.017 8.157 1.00 0.00 C ATOM 607 CG1 VAL A 36 2.534 -4.951 9.270 1.00 0.00 C ATOM 608 CG2 VAL A 36 0.577 -3.903 8.119 1.00 0.00 C ATOM 0 H VAL A 36 1.648 -2.473 10.103 1.00 0.00 H new ATOM 0 HA VAL A 36 3.832 -2.748 8.410 1.00 0.00 H new ATOM 0 HB VAL A 36 2.425 -4.436 7.206 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.060 -5.924 9.137 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.617 -5.068 9.241 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.240 -4.533 10.233 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.140 -4.895 8.004 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.222 -3.456 9.048 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.280 -3.276 7.278 1.00 0.00 H new ATOM 618 N LEU A 37 1.338 -1.057 7.120 1.00 0.00 N ATOM 619 CA LEU A 37 0.880 -0.299 5.966 1.00 0.00 C ATOM 620 C LEU A 37 1.918 0.729 5.538 1.00 0.00 C ATOM 621 O LEU A 37 2.502 0.624 4.454 1.00 0.00 O ATOM 622 CB LEU A 37 -0.443 0.405 6.277 1.00 0.00 C ATOM 623 CG LEU A 37 -1.103 1.093 5.086 1.00 0.00 C ATOM 624 CD1 LEU A 37 -1.512 0.063 4.045 1.00 0.00 C ATOM 625 CD2 LEU A 37 -2.303 1.911 5.543 1.00 0.00 C ATOM 0 H LEU A 37 0.742 -0.972 7.943 1.00 0.00 H new ATOM 0 HA LEU A 37 0.728 -1.002 5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.139 -0.327 6.686 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.268 1.148 7.055 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.384 1.774 4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.982 0.566 3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.630 -0.477 3.701 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.218 -0.640 4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.763 2.395 4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.030 1.254 6.021 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.977 2.670 6.254 1.00 0.00 H new ATOM 637 N ARG A 38 2.170 1.698 6.406 1.00 0.00 N ATOM 638 CA ARG A 38 3.057 2.804 6.078 1.00 0.00 C ATOM 639 C ARG A 38 4.491 2.317 5.895 1.00 0.00 C ATOM 640 O ARG A 38 5.262 2.902 5.139 1.00 0.00 O ATOM 641 CB ARG A 38 2.993 3.883 7.165 1.00 0.00 C ATOM 642 CG ARG A 38 3.695 3.514 8.461 1.00 0.00 C ATOM 643 CD ARG A 38 3.542 4.617 9.495 1.00 0.00 C ATOM 644 NE ARG A 38 4.401 4.407 10.659 1.00 0.00 N ATOM 645 CZ ARG A 38 3.942 4.129 11.877 1.00 0.00 C ATOM 646 NH1 ARG A 38 2.652 3.889 12.059 1.00 0.00 N ATOM 647 NH2 ARG A 38 4.777 4.054 12.905 1.00 0.00 N ATOM 0 H ARG A 38 1.772 1.740 7.344 1.00 0.00 H new ATOM 0 HA ARG A 38 2.723 3.238 5.136 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.435 4.800 6.775 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.947 4.101 7.382 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.281 2.584 8.851 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.753 3.335 8.268 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.781 5.577 9.038 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.502 4.668 9.818 1.00 0.00 H new ATOM 0 HE ARG A 38 5.410 4.478 10.530 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.011 3.917 11.266 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.300 3.676 12.992 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.775 4.210 12.764 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.421 3.841 13.837 1.00 0.00 H new ATOM 661 N LEU A 39 4.826 1.225 6.570 1.00 0.00 N ATOM 662 CA LEU A 39 6.177 0.689 6.536 1.00 0.00 C ATOM 663 C LEU A 39 6.519 0.124 5.159 1.00 0.00 C ATOM 664 O LEU A 39 7.644 0.268 4.688 1.00 0.00 O ATOM 665 CB LEU A 39 6.334 -0.400 7.601 1.00 0.00 C ATOM 666 CG LEU A 39 7.744 -0.974 7.749 1.00 0.00 C ATOM 667 CD1 LEU A 39 8.714 0.096 8.226 1.00 0.00 C ATOM 668 CD2 LEU A 39 7.740 -2.158 8.704 1.00 0.00 C ATOM 0 H LEU A 39 4.177 0.693 7.149 1.00 0.00 H new ATOM 0 HA LEU A 39 6.868 1.506 6.745 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.023 0.008 8.563 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.651 -1.216 7.366 1.00 0.00 H new ATOM 0 HG LEU A 39 8.076 -1.322 6.771 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.711 -0.334 8.324 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.740 0.911 7.503 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.387 0.479 9.193 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.751 -2.554 8.797 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.385 -1.835 9.683 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.081 -2.935 8.317 1.00 0.00 H new ATOM 680 N HIS A 40 5.549 -0.506 4.504 1.00 0.00 N ATOM 681 CA HIS A 40 5.845 -1.219 3.267 1.00 0.00 C ATOM 682 C HIS A 40 5.640 -0.359 2.017 1.00 0.00 C ATOM 683 O HIS A 40 6.345 -0.542 1.029 1.00 0.00 O ATOM 684 CB HIS A 40 5.023 -2.519 3.155 1.00 0.00 C ATOM 685 CG HIS A 40 3.608 -2.354 2.665 1.00 0.00 C ATOM 686 ND1 HIS A 40 3.279 -2.284 1.324 1.00 0.00 N ATOM 687 CD2 HIS A 40 2.436 -2.278 3.336 1.00 0.00 C ATOM 688 CE1 HIS A 40 1.969 -2.173 1.198 1.00 0.00 C ATOM 689 NE2 HIS A 40 1.433 -2.168 2.403 1.00 0.00 N ATOM 0 H HIS A 40 4.573 -0.538 4.800 1.00 0.00 H new ATOM 0 HA HIS A 40 6.904 -1.472 3.317 1.00 0.00 H new ATOM 0 HB2 HIS A 40 5.544 -3.201 2.483 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.996 -2.996 4.135 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.311 -2.300 4.409 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.428 -2.099 0.266 1.00 0.00 H new ATOM 0 HE2 HIS A 40 0.437 -2.094 2.609 1.00 0.00 H new ATOM 698 N VAL A 41 4.664 0.543 2.028 1.00 0.00 N ATOM 699 CA VAL A 41 4.303 1.252 0.801 1.00 0.00 C ATOM 700 C VAL A 41 4.851 2.683 0.729 1.00 0.00 C ATOM 701 O VAL A 41 5.228 3.140 -0.348 1.00 0.00 O ATOM 702 CB VAL A 41 2.777 1.242 0.571 1.00 0.00 C ATOM 703 CG1 VAL A 41 2.037 1.917 1.708 1.00 0.00 C ATOM 704 CG2 VAL A 41 2.416 1.880 -0.764 1.00 0.00 C ATOM 0 H VAL A 41 4.119 0.798 2.851 1.00 0.00 H new ATOM 0 HA VAL A 41 4.785 0.699 -0.005 1.00 0.00 H new ATOM 0 HB VAL A 41 2.462 0.199 0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.965 1.891 1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.247 1.394 2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.365 2.953 1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.334 1.858 -0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.762 2.913 -0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.892 1.326 -1.573 1.00 0.00 H new ATOM 714 N ILE A 42 4.916 3.386 1.856 1.00 0.00 N ATOM 715 CA ILE A 42 5.321 4.794 1.841 1.00 0.00 C ATOM 716 C ILE A 42 6.765 4.986 1.345 1.00 0.00 C ATOM 717 O ILE A 42 6.994 5.751 0.411 1.00 0.00 O ATOM 718 CB ILE A 42 5.132 5.473 3.219 1.00 0.00 C ATOM 719 CG1 ILE A 42 3.638 5.607 3.533 1.00 0.00 C ATOM 720 CG2 ILE A 42 5.815 6.836 3.257 1.00 0.00 C ATOM 721 CD1 ILE A 42 3.348 6.384 4.800 1.00 0.00 C ATOM 0 H ILE A 42 4.698 3.014 2.780 1.00 0.00 H new ATOM 0 HA ILE A 42 4.656 5.283 1.129 1.00 0.00 H new ATOM 0 HB ILE A 42 5.599 4.848 3.980 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.143 6.098 2.695 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.204 4.611 3.621 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.666 7.290 4.237 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.882 6.713 3.072 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.385 7.480 2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.270 6.437 4.956 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.813 5.883 5.649 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.751 7.393 4.709 1.00 0.00 H new ATOM 733 N PRO A 43 7.764 4.297 1.932 1.00 0.00 N ATOM 734 CA PRO A 43 9.163 4.470 1.522 1.00 0.00 C ATOM 735 C PRO A 43 9.486 3.803 0.182 1.00 0.00 C ATOM 736 O PRO A 43 10.604 3.916 -0.318 1.00 0.00 O ATOM 737 CB PRO A 43 9.943 3.800 2.651 1.00 0.00 C ATOM 738 CG PRO A 43 9.019 2.760 3.178 1.00 0.00 C ATOM 739 CD PRO A 43 7.633 3.326 3.039 1.00 0.00 C ATOM 0 HA PRO A 43 9.408 5.521 1.370 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.870 3.358 2.285 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.216 4.517 3.425 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.118 1.830 2.618 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.244 2.530 4.220 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.904 2.549 2.807 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.303 3.809 3.959 1.00 0.00 H new ATOM 747 N THR A 44 8.515 3.110 -0.395 1.00 0.00 N ATOM 748 CA THR A 44 8.735 2.401 -1.646 1.00 0.00 C ATOM 749 C THR A 44 8.038 3.093 -2.817 1.00 0.00 C ATOM 750 O THR A 44 8.690 3.577 -3.745 1.00 0.00 O ATOM 751 CB THR A 44 8.242 0.946 -1.549 1.00 0.00 C ATOM 752 OG1 THR A 44 6.883 0.918 -1.099 1.00 0.00 O ATOM 753 CG2 THR A 44 9.099 0.146 -0.586 1.00 0.00 C ATOM 0 H THR A 44 7.571 3.024 -0.018 1.00 0.00 H new ATOM 0 HA THR A 44 9.810 2.407 -1.828 1.00 0.00 H new ATOM 0 HB THR A 44 8.314 0.500 -2.541 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.761 0.175 -0.471 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.730 -0.878 -0.535 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.132 0.143 -0.934 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.052 0.598 0.405 1.00 0.00 H new ATOM 761 N LEU A 45 6.715 3.152 -2.757 1.00 0.00 N ATOM 762 CA LEU A 45 5.916 3.691 -3.849 1.00 0.00 C ATOM 763 C LEU A 45 5.346 5.051 -3.474 1.00 0.00 C ATOM 764 O LEU A 45 4.395 5.531 -4.089 1.00 0.00 O ATOM 765 CB LEU A 45 4.769 2.735 -4.179 1.00 0.00 C ATOM 766 CG LEU A 45 5.183 1.304 -4.530 1.00 0.00 C ATOM 767 CD1 LEU A 45 3.956 0.423 -4.692 1.00 0.00 C ATOM 768 CD2 LEU A 45 6.021 1.284 -5.799 1.00 0.00 C ATOM 0 H LEU A 45 6.169 2.831 -1.958 1.00 0.00 H new ATOM 0 HA LEU A 45 6.560 3.804 -4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.092 2.700 -3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.205 3.147 -5.016 1.00 0.00 H new ATOM 0 HG LEU A 45 5.788 0.911 -3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.267 -0.591 -4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.391 0.411 -3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.328 0.817 -5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.305 0.258 -6.031 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.441 1.696 -6.625 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.919 1.884 -5.652 1.00 0.00 H new ATOM 780 N GLY A 46 5.946 5.664 -2.466 1.00 0.00 N ATOM 781 CA GLY A 46 5.448 6.919 -1.937 1.00 0.00 C ATOM 782 C GLY A 46 5.386 8.039 -2.959 1.00 0.00 C ATOM 783 O GLY A 46 4.494 8.883 -2.893 1.00 0.00 O ATOM 0 H GLY A 46 6.780 5.310 -1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.450 6.759 -1.528 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.085 7.231 -1.110 1.00 0.00 H new ATOM 787 N SER A 47 6.314 8.045 -3.910 1.00 0.00 N ATOM 788 CA SER A 47 6.389 9.120 -4.894 1.00 0.00 C ATOM 789 C SER A 47 5.444 8.853 -6.067 1.00 0.00 C ATOM 790 O SER A 47 5.466 9.561 -7.076 1.00 0.00 O ATOM 791 CB SER A 47 7.830 9.276 -5.391 1.00 0.00 C ATOM 792 OG SER A 47 8.029 10.530 -6.025 1.00 0.00 O ATOM 0 H SER A 47 7.023 7.320 -4.021 1.00 0.00 H new ATOM 0 HA SER A 47 6.078 10.049 -4.416 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.518 9.179 -4.551 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.064 8.473 -6.090 1.00 0.00 H new ATOM 0 HG SER A 47 7.291 10.703 -6.647 1.00 0.00 H new ATOM 798 N ILE A 48 4.612 7.834 -5.926 1.00 0.00 N ATOM 799 CA ILE A 48 3.634 7.499 -6.944 1.00 0.00 C ATOM 800 C ILE A 48 2.283 8.115 -6.599 1.00 0.00 C ATOM 801 O ILE A 48 1.821 8.018 -5.465 1.00 0.00 O ATOM 802 CB ILE A 48 3.493 5.967 -7.099 1.00 0.00 C ATOM 803 CG1 ILE A 48 4.816 5.365 -7.575 1.00 0.00 C ATOM 804 CG2 ILE A 48 2.370 5.610 -8.063 1.00 0.00 C ATOM 805 CD1 ILE A 48 5.251 5.850 -8.944 1.00 0.00 C ATOM 0 H ILE A 48 4.596 7.222 -5.110 1.00 0.00 H new ATOM 0 HA ILE A 48 3.982 7.907 -7.893 1.00 0.00 H new ATOM 0 HB ILE A 48 3.241 5.548 -6.125 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.595 5.604 -6.851 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.723 4.279 -7.597 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.296 4.526 -8.150 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.428 6.009 -7.687 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.581 6.039 -9.042 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.197 5.380 -9.213 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.492 5.587 -9.681 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.377 6.932 -8.923 1.00 0.00 H new ATOM 817 N PRO A 49 1.665 8.812 -7.557 1.00 0.00 N ATOM 818 CA PRO A 49 0.301 9.317 -7.409 1.00 0.00 C ATOM 819 C PRO A 49 -0.712 8.179 -7.326 1.00 0.00 C ATOM 820 O PRO A 49 -0.531 7.137 -7.953 1.00 0.00 O ATOM 821 CB PRO A 49 0.068 10.139 -8.682 1.00 0.00 C ATOM 822 CG PRO A 49 1.423 10.362 -9.264 1.00 0.00 C ATOM 823 CD PRO A 49 2.259 9.190 -8.842 1.00 0.00 C ATOM 0 HA PRO A 49 0.179 9.896 -6.494 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.577 9.606 -9.381 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.422 11.086 -8.454 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.373 10.433 -10.351 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.853 11.296 -8.903 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.209 8.376 -9.565 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.310 9.460 -8.738 1.00 0.00 H new ATOM 831 N LEU A 50 -1.784 8.394 -6.569 1.00 0.00 N ATOM 832 CA LEU A 50 -2.803 7.365 -6.353 1.00 0.00 C ATOM 833 C LEU A 50 -3.400 6.869 -7.672 1.00 0.00 C ATOM 834 O LEU A 50 -3.781 5.707 -7.794 1.00 0.00 O ATOM 835 CB LEU A 50 -3.920 7.911 -5.456 1.00 0.00 C ATOM 836 CG LEU A 50 -3.491 8.309 -4.040 1.00 0.00 C ATOM 837 CD1 LEU A 50 -4.654 8.946 -3.295 1.00 0.00 C ATOM 838 CD2 LEU A 50 -2.976 7.096 -3.281 1.00 0.00 C ATOM 0 H LEU A 50 -1.972 9.275 -6.092 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.317 6.520 -5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.360 8.782 -5.942 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.704 7.157 -5.381 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.684 9.039 -4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.334 9.224 -2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.985 9.836 -3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.478 8.235 -3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.675 7.396 -2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.765 6.346 -3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.118 6.675 -3.806 1.00 0.00 H new ATOM 850 N LYS A 51 -3.460 7.750 -8.660 1.00 0.00 N ATOM 851 CA LYS A 51 -4.071 7.416 -9.941 1.00 0.00 C ATOM 852 C LYS A 51 -3.042 6.862 -10.923 1.00 0.00 C ATOM 853 O LYS A 51 -3.352 6.609 -12.084 1.00 0.00 O ATOM 854 CB LYS A 51 -4.771 8.644 -10.521 1.00 0.00 C ATOM 855 CG LYS A 51 -5.881 9.162 -9.624 1.00 0.00 C ATOM 856 CD LYS A 51 -6.564 10.378 -10.215 1.00 0.00 C ATOM 857 CE LYS A 51 -7.705 10.845 -9.331 1.00 0.00 C ATOM 858 NZ LYS A 51 -8.353 12.075 -9.853 1.00 0.00 N ATOM 0 H LYS A 51 -3.094 8.700 -8.601 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.812 6.634 -9.773 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.038 9.435 -10.679 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.185 8.394 -11.498 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.617 8.374 -9.465 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.470 9.416 -8.647 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.840 11.184 -10.335 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.943 10.139 -11.209 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.448 10.051 -9.250 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.329 11.033 -8.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.126 12.357 -9.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.652 12.841 -9.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.736 11.890 -10.802 1.00 0.00 H new ATOM 872 N LYS A 52 -1.821 6.669 -10.450 1.00 0.00 N ATOM 873 CA LYS A 52 -0.780 6.037 -11.250 1.00 0.00 C ATOM 874 C LYS A 52 -0.350 4.733 -10.605 1.00 0.00 C ATOM 875 O LYS A 52 0.642 4.120 -11.004 1.00 0.00 O ATOM 876 CB LYS A 52 0.426 6.962 -11.420 1.00 0.00 C ATOM 877 CG LYS A 52 0.262 7.980 -12.533 1.00 0.00 C ATOM 878 CD LYS A 52 1.503 8.843 -12.688 1.00 0.00 C ATOM 879 CE LYS A 52 1.453 9.671 -13.964 1.00 0.00 C ATOM 880 NZ LYS A 52 0.221 10.499 -14.053 1.00 0.00 N ATOM 0 H LYS A 52 -1.524 6.942 -9.513 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.190 5.832 -12.239 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.604 7.488 -10.482 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.311 6.358 -11.620 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.057 7.464 -13.471 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.599 8.614 -12.323 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.596 9.505 -11.827 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.389 8.208 -12.700 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.328 10.320 -14.008 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.505 9.007 -14.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.308 11.167 -14.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.602 9.882 -14.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.094 11.028 -13.167 1.00 0.00 H new ATOM 894 N LEU A 53 -1.110 4.317 -9.606 1.00 0.00 N ATOM 895 CA LEU A 53 -0.830 3.088 -8.890 1.00 0.00 C ATOM 896 C LEU A 53 -1.338 1.896 -9.699 1.00 0.00 C ATOM 897 O LEU A 53 -2.540 1.630 -9.759 1.00 0.00 O ATOM 898 CB LEU A 53 -1.475 3.154 -7.494 1.00 0.00 C ATOM 899 CG LEU A 53 -1.074 2.061 -6.493 1.00 0.00 C ATOM 900 CD1 LEU A 53 -1.878 0.796 -6.725 1.00 0.00 C ATOM 901 CD2 LEU A 53 0.416 1.769 -6.581 1.00 0.00 C ATOM 0 H LEU A 53 -1.933 4.819 -9.272 1.00 0.00 H new ATOM 0 HA LEU A 53 0.245 2.963 -8.757 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.235 4.122 -7.054 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.557 3.120 -7.618 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.293 2.426 -5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.577 0.036 -6.004 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.939 1.012 -6.602 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.697 0.430 -7.736 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.677 0.992 -5.863 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.662 1.431 -7.588 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.978 2.675 -6.356 1.00 0.00 H new ATOM 913 N GLN A 54 -0.411 1.205 -10.347 1.00 0.00 N ATOM 914 CA GLN A 54 -0.747 0.075 -11.201 1.00 0.00 C ATOM 915 C GLN A 54 -0.494 -1.246 -10.479 1.00 0.00 C ATOM 916 O GLN A 54 0.375 -1.328 -9.610 1.00 0.00 O ATOM 917 CB GLN A 54 0.070 0.133 -12.495 1.00 0.00 C ATOM 918 CG GLN A 54 -0.226 1.355 -13.354 1.00 0.00 C ATOM 919 CD GLN A 54 -1.661 1.388 -13.855 1.00 0.00 C ATOM 920 OE1 GLN A 54 -2.283 0.347 -14.068 1.00 0.00 O ATOM 921 NE2 GLN A 54 -2.190 2.584 -14.058 1.00 0.00 N ATOM 0 H GLN A 54 0.587 1.409 -10.297 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.808 0.133 -11.446 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.131 0.125 -12.245 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.127 -0.766 -13.079 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.027 2.257 -12.776 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.452 1.367 -14.207 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -1.641 3.423 -13.869 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.146 2.667 -14.403 1.00 0.00 H new ATOM 930 N PRO A 55 -1.255 -2.299 -10.832 1.00 0.00 N ATOM 931 CA PRO A 55 -1.098 -3.632 -10.237 1.00 0.00 C ATOM 932 C PRO A 55 0.319 -4.182 -10.403 1.00 0.00 C ATOM 933 O PRO A 55 0.805 -4.931 -9.552 1.00 0.00 O ATOM 934 CB PRO A 55 -2.103 -4.495 -11.008 1.00 0.00 C ATOM 935 CG PRO A 55 -3.102 -3.532 -11.544 1.00 0.00 C ATOM 936 CD PRO A 55 -2.341 -2.269 -11.829 1.00 0.00 C ATOM 0 HA PRO A 55 -1.272 -3.616 -9.161 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.615 -5.047 -11.812 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.574 -5.231 -10.356 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.571 -3.918 -12.449 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.899 -3.354 -10.823 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.953 -2.254 -12.847 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.969 -1.386 -11.714 1.00 0.00 H new ATOM 944 N ALA A 56 0.977 -3.801 -11.496 1.00 0.00 N ATOM 945 CA ALA A 56 2.348 -4.227 -11.757 1.00 0.00 C ATOM 946 C ALA A 56 3.283 -3.763 -10.654 1.00 0.00 C ATOM 947 O ALA A 56 4.129 -4.526 -10.186 1.00 0.00 O ATOM 948 CB ALA A 56 2.832 -3.687 -13.090 1.00 0.00 C ATOM 0 H ALA A 56 0.581 -3.197 -12.216 1.00 0.00 H new ATOM 0 HA ALA A 56 2.354 -5.317 -11.788 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.856 -4.016 -13.266 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.190 -4.059 -13.888 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.798 -2.598 -13.075 1.00 0.00 H new ATOM 954 N ASP A 57 3.114 -2.514 -10.237 1.00 0.00 N ATOM 955 CA ASP A 57 3.957 -1.926 -9.205 1.00 0.00 C ATOM 956 C ASP A 57 3.694 -2.587 -7.863 1.00 0.00 C ATOM 957 O ASP A 57 4.604 -2.751 -7.052 1.00 0.00 O ATOM 958 CB ASP A 57 3.718 -0.417 -9.107 1.00 0.00 C ATOM 959 CG ASP A 57 4.215 0.324 -10.330 1.00 0.00 C ATOM 960 OD1 ASP A 57 5.445 0.510 -10.459 1.00 0.00 O ATOM 961 OD2 ASP A 57 3.384 0.708 -11.178 1.00 0.00 O ATOM 0 H ASP A 57 2.397 -1.887 -10.600 1.00 0.00 H new ATOM 0 HA ASP A 57 4.998 -2.094 -9.479 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.652 -0.228 -8.978 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.220 -0.029 -8.221 1.00 0.00 H new ATOM 966 N ILE A 58 2.450 -2.983 -7.643 1.00 0.00 N ATOM 967 CA ILE A 58 2.078 -3.677 -6.420 1.00 0.00 C ATOM 968 C ILE A 58 2.716 -5.063 -6.385 1.00 0.00 C ATOM 969 O ILE A 58 3.303 -5.464 -5.377 1.00 0.00 O ATOM 970 CB ILE A 58 0.552 -3.825 -6.298 1.00 0.00 C ATOM 971 CG1 ILE A 58 -0.139 -2.479 -6.498 1.00 0.00 C ATOM 972 CG2 ILE A 58 0.187 -4.408 -4.942 1.00 0.00 C ATOM 973 CD1 ILE A 58 -1.648 -2.588 -6.544 1.00 0.00 C ATOM 0 H ILE A 58 1.680 -2.836 -8.296 1.00 0.00 H new ATOM 0 HA ILE A 58 2.439 -3.079 -5.583 1.00 0.00 H new ATOM 0 HB ILE A 58 0.210 -4.505 -7.078 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.146 -1.807 -5.689 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.215 -2.030 -7.426 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.896 -4.508 -4.868 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.650 -5.388 -4.831 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.545 -3.746 -4.153 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.080 -1.598 -6.688 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.941 -3.236 -7.370 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.011 -3.009 -5.607 1.00 0.00 H new ATOM 985 N GLN A 59 2.599 -5.785 -7.495 1.00 0.00 N ATOM 986 CA GLN A 59 3.221 -7.094 -7.630 1.00 0.00 C ATOM 987 C GLN A 59 4.736 -6.971 -7.484 1.00 0.00 C ATOM 988 O GLN A 59 5.384 -7.800 -6.840 1.00 0.00 O ATOM 989 CB GLN A 59 2.862 -7.704 -8.988 1.00 0.00 C ATOM 990 CG GLN A 59 3.527 -9.042 -9.259 1.00 0.00 C ATOM 991 CD GLN A 59 3.162 -9.602 -10.617 1.00 0.00 C ATOM 992 OE1 GLN A 59 3.828 -9.324 -11.615 1.00 0.00 O ATOM 993 NE2 GLN A 59 2.115 -10.407 -10.662 1.00 0.00 N ATOM 0 H GLN A 59 2.076 -5.482 -8.317 1.00 0.00 H new ATOM 0 HA GLN A 59 2.849 -7.749 -6.843 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.781 -7.829 -9.044 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.143 -7.004 -9.775 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.609 -8.927 -9.195 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.236 -9.753 -8.486 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.591 -10.611 -9.811 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.831 -10.825 -11.548 1.00 0.00 H new ATOM 1002 N ARG A 60 5.285 -5.918 -8.080 1.00 0.00 N ATOM 1003 CA ARG A 60 6.702 -5.605 -7.960 1.00 0.00 C ATOM 1004 C ARG A 60 7.080 -5.420 -6.497 1.00 0.00 C ATOM 1005 O ARG A 60 8.087 -5.956 -6.031 1.00 0.00 O ATOM 1006 CB ARG A 60 7.027 -4.328 -8.738 1.00 0.00 C ATOM 1007 CG ARG A 60 8.492 -3.939 -8.697 1.00 0.00 C ATOM 1008 CD ARG A 60 8.708 -2.519 -9.193 1.00 0.00 C ATOM 1009 NE ARG A 60 8.487 -2.380 -10.630 1.00 0.00 N ATOM 1010 CZ ARG A 60 9.464 -2.181 -11.513 1.00 0.00 C ATOM 1011 NH1 ARG A 60 10.734 -2.270 -11.139 1.00 0.00 N ATOM 1012 NH2 ARG A 60 9.168 -1.925 -12.780 1.00 0.00 N ATOM 0 H ARG A 60 4.761 -5.260 -8.658 1.00 0.00 H new ATOM 0 HA ARG A 60 7.275 -6.434 -8.374 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.725 -4.461 -9.777 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.432 -3.508 -8.336 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.865 -4.029 -7.677 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.070 -4.631 -9.310 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.035 -1.847 -8.660 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.725 -2.207 -8.955 1.00 0.00 H new ATOM 0 HE ARG A 60 7.530 -2.439 -10.977 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.966 -2.492 -10.171 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.478 -2.117 -11.820 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.193 -1.881 -13.077 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.915 -1.772 -13.457 1.00 0.00 H new ATOM 1026 N LEU A 61 6.260 -4.656 -5.784 1.00 0.00 N ATOM 1027 CA LEU A 61 6.463 -4.397 -4.367 1.00 0.00 C ATOM 1028 C LEU A 61 6.478 -5.712 -3.589 1.00 0.00 C ATOM 1029 O LEU A 61 7.331 -5.924 -2.730 1.00 0.00 O ATOM 1030 CB LEU A 61 5.354 -3.456 -3.852 1.00 0.00 C ATOM 1031 CG LEU A 61 5.537 -2.863 -2.443 1.00 0.00 C ATOM 1032 CD1 LEU A 61 5.090 -3.835 -1.359 1.00 0.00 C ATOM 1033 CD2 LEU A 61 6.984 -2.448 -2.218 1.00 0.00 C ATOM 0 H LEU A 61 5.436 -4.199 -6.174 1.00 0.00 H new ATOM 0 HA LEU A 61 7.427 -3.910 -4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.257 -2.630 -4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.411 -4.003 -3.869 1.00 0.00 H new ATOM 0 HG LEU A 61 4.903 -1.979 -2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.235 -3.379 -0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.035 -4.073 -1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.680 -4.749 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.092 -2.032 -1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.632 -3.318 -2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.266 -1.697 -2.956 1.00 0.00 H new ATOM 1045 N TYR A 62 5.544 -6.602 -3.911 1.00 0.00 N ATOM 1046 CA TYR A 62 5.455 -7.895 -3.237 1.00 0.00 C ATOM 1047 C TYR A 62 6.711 -8.728 -3.463 1.00 0.00 C ATOM 1048 O TYR A 62 7.228 -9.338 -2.525 1.00 0.00 O ATOM 1049 CB TYR A 62 4.221 -8.673 -3.699 1.00 0.00 C ATOM 1050 CG TYR A 62 2.914 -8.030 -3.295 1.00 0.00 C ATOM 1051 CD1 TYR A 62 2.840 -7.211 -2.176 1.00 0.00 C ATOM 1052 CD2 TYR A 62 1.755 -8.243 -4.030 1.00 0.00 C ATOM 1053 CE1 TYR A 62 1.652 -6.626 -1.798 1.00 0.00 C ATOM 1054 CE2 TYR A 62 0.561 -7.659 -3.658 1.00 0.00 C ATOM 1055 CZ TYR A 62 0.517 -6.849 -2.541 1.00 0.00 C ATOM 1056 OH TYR A 62 -0.670 -6.266 -2.162 1.00 0.00 O ATOM 0 H TYR A 62 4.839 -6.453 -4.633 1.00 0.00 H new ATOM 0 HA TYR A 62 5.363 -7.696 -2.169 1.00 0.00 H new ATOM 0 HB2 TYR A 62 4.248 -8.770 -4.784 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.263 -9.682 -3.288 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.730 -7.030 -1.592 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.788 -8.875 -4.905 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.612 -5.995 -0.922 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.333 -7.835 -4.237 1.00 0.00 H new ATOM 0 HH TYR A 62 -1.074 -5.816 -2.933 1.00 0.00 H new ATOM 1066 N ALA A 63 7.192 -8.739 -4.699 1.00 0.00 N ATOM 1067 CA ALA A 63 8.370 -9.516 -5.066 1.00 0.00 C ATOM 1068 C ALA A 63 9.641 -8.917 -4.475 1.00 0.00 C ATOM 1069 O ALA A 63 10.480 -9.630 -3.927 1.00 0.00 O ATOM 1070 CB ALA A 63 8.487 -9.596 -6.580 1.00 0.00 C ATOM 0 H ALA A 63 6.781 -8.214 -5.471 1.00 0.00 H new ATOM 0 HA ALA A 63 8.252 -10.519 -4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.369 -10.178 -6.847 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.598 -10.077 -6.989 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.577 -8.591 -6.992 1.00 0.00 H new ATOM 1076 N SER A 64 9.765 -7.602 -4.578 1.00 0.00 N ATOM 1077 CA SER A 64 10.966 -6.906 -4.143 1.00 0.00 C ATOM 1078 C SER A 64 11.220 -7.083 -2.644 1.00 0.00 C ATOM 1079 O SER A 64 12.341 -7.375 -2.229 1.00 0.00 O ATOM 1080 CB SER A 64 10.864 -5.427 -4.509 1.00 0.00 C ATOM 1081 OG SER A 64 10.775 -5.266 -5.916 1.00 0.00 O ATOM 0 H SER A 64 9.043 -6.992 -4.962 1.00 0.00 H new ATOM 0 HA SER A 64 11.819 -7.346 -4.660 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.988 -4.988 -4.031 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.735 -4.892 -4.131 1.00 0.00 H new ATOM 0 HG SER A 64 9.863 -5.468 -6.211 1.00 0.00 H new ATOM 1087 N LYS A 65 10.181 -6.927 -1.832 1.00 0.00 N ATOM 1088 CA LYS A 65 10.325 -7.099 -0.391 1.00 0.00 C ATOM 1089 C LYS A 65 10.503 -8.573 -0.033 1.00 0.00 C ATOM 1090 O LYS A 65 11.058 -8.903 1.015 1.00 0.00 O ATOM 1091 CB LYS A 65 9.114 -6.523 0.342 1.00 0.00 C ATOM 1092 CG LYS A 65 7.802 -7.152 -0.083 1.00 0.00 C ATOM 1093 CD LYS A 65 6.637 -6.626 0.727 1.00 0.00 C ATOM 1094 CE LYS A 65 5.321 -7.143 0.176 1.00 0.00 C ATOM 1095 NZ LYS A 65 5.349 -8.613 -0.043 1.00 0.00 N ATOM 0 H LYS A 65 9.240 -6.685 -2.142 1.00 0.00 H new ATOM 0 HA LYS A 65 11.217 -6.558 -0.075 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.246 -6.664 1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.068 -5.448 0.165 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.629 -6.952 -1.140 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.864 -8.234 0.031 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.745 -6.930 1.768 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.640 -5.536 0.711 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.516 -6.895 0.867 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.099 -6.640 -0.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.406 -8.938 -0.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.042 -8.840 -0.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.618 -9.091 0.841 1.00 0.00 H new ATOM 1109 N LEU A 66 10.037 -9.455 -0.911 1.00 0.00 N ATOM 1110 CA LEU A 66 10.180 -10.891 -0.702 1.00 0.00 C ATOM 1111 C LEU A 66 11.644 -11.288 -0.844 1.00 0.00 C ATOM 1112 O LEU A 66 12.157 -12.102 -0.076 1.00 0.00 O ATOM 1113 CB LEU A 66 9.323 -11.664 -1.709 1.00 0.00 C ATOM 1114 CG LEU A 66 9.321 -13.188 -1.550 1.00 0.00 C ATOM 1115 CD1 LEU A 66 8.685 -13.589 -0.230 1.00 0.00 C ATOM 1116 CD2 LEU A 66 8.582 -13.838 -2.707 1.00 0.00 C ATOM 0 H LEU A 66 9.557 -9.200 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 66 9.839 -11.138 0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.296 -11.308 -1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.670 -11.423 -2.714 1.00 0.00 H new ATOM 0 HG LEU A 66 10.355 -13.534 -1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.694 -14.675 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.248 -13.150 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.656 -13.230 -0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.589 -14.921 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.552 -13.481 -2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.074 -13.579 -3.644 1.00 0.00 H new ATOM 1128 N GLU A 67 12.306 -10.675 -1.823 1.00 0.00 N ATOM 1129 CA GLU A 67 13.732 -10.876 -2.068 1.00 0.00 C ATOM 1130 C GLU A 67 14.533 -10.578 -0.801 1.00 0.00 C ATOM 1131 O GLU A 67 15.542 -11.227 -0.514 1.00 0.00 O ATOM 1132 CB GLU A 67 14.166 -9.966 -3.231 1.00 0.00 C ATOM 1133 CG GLU A 67 15.636 -10.054 -3.623 1.00 0.00 C ATOM 1134 CD GLU A 67 16.547 -9.214 -2.745 1.00 0.00 C ATOM 1135 OE1 GLU A 67 16.243 -8.024 -2.522 1.00 0.00 O ATOM 1136 OE2 GLU A 67 17.577 -9.744 -2.277 1.00 0.00 O ATOM 0 H GLU A 67 11.866 -10.022 -2.471 1.00 0.00 H new ATOM 0 HA GLU A 67 13.923 -11.914 -2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.561 -10.209 -4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.941 -8.933 -2.964 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.956 -11.095 -3.574 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.748 -9.735 -4.659 1.00 0.00 H new ATOM 1143 N SER A 68 14.038 -9.618 -0.029 1.00 0.00 N ATOM 1144 CA SER A 68 14.694 -9.171 1.193 1.00 0.00 C ATOM 1145 C SER A 68 14.663 -10.255 2.283 1.00 0.00 C ATOM 1146 O SER A 68 15.287 -10.101 3.332 1.00 0.00 O ATOM 1147 CB SER A 68 14.014 -7.891 1.693 1.00 0.00 C ATOM 1148 OG SER A 68 14.731 -7.289 2.757 1.00 0.00 O ATOM 0 H SER A 68 13.168 -9.127 -0.234 1.00 0.00 H new ATOM 0 HA SER A 68 15.741 -8.968 0.968 1.00 0.00 H new ATOM 0 HB2 SER A 68 13.925 -7.183 0.869 1.00 0.00 H new ATOM 0 HB3 SER A 68 13.002 -8.124 2.024 1.00 0.00 H new ATOM 0 HG SER A 68 15.151 -7.985 3.303 1.00 0.00 H new ATOM 1154 N GLY A 69 13.935 -11.339 2.041 1.00 0.00 N ATOM 1155 CA GLY A 69 13.929 -12.444 2.983 1.00 0.00 C ATOM 1156 C GLY A 69 12.623 -12.585 3.739 1.00 0.00 C ATOM 1157 O GLY A 69 12.589 -13.167 4.825 1.00 0.00 O ATOM 0 H GLY A 69 13.352 -11.473 1.215 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.131 -13.371 2.446 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.741 -12.307 3.698 1.00 0.00 H new ATOM 1161 N LEU A 70 11.545 -12.063 3.173 1.00 0.00 N ATOM 1162 CA LEU A 70 10.236 -12.169 3.803 1.00 0.00 C ATOM 1163 C LEU A 70 9.628 -13.546 3.579 1.00 0.00 C ATOM 1164 O LEU A 70 10.015 -14.269 2.661 1.00 0.00 O ATOM 1165 CB LEU A 70 9.285 -11.093 3.276 1.00 0.00 C ATOM 1166 CG LEU A 70 9.496 -9.695 3.854 1.00 0.00 C ATOM 1167 CD1 LEU A 70 8.500 -8.720 3.254 1.00 0.00 C ATOM 1168 CD2 LEU A 70 9.360 -9.719 5.369 1.00 0.00 C ATOM 0 H LEU A 70 11.549 -11.564 2.283 1.00 0.00 H new ATOM 0 HA LEU A 70 10.378 -12.020 4.873 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.388 -11.039 2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.261 -11.403 3.484 1.00 0.00 H new ATOM 0 HG LEU A 70 10.504 -9.366 3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.663 -7.728 3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.635 -8.681 2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.486 -9.049 3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.513 -8.715 5.764 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.363 -10.067 5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.106 -10.393 5.791 1.00 0.00 H new ATOM 1180 N SER A 71 8.679 -13.904 4.427 1.00 0.00 N ATOM 1181 CA SER A 71 7.981 -15.172 4.309 1.00 0.00 C ATOM 1182 C SER A 71 6.608 -14.962 3.675 1.00 0.00 C ATOM 1183 O SER A 71 6.036 -13.874 3.785 1.00 0.00 O ATOM 1184 CB SER A 71 7.838 -15.799 5.691 1.00 0.00 C ATOM 1185 OG SER A 71 9.093 -15.849 6.343 1.00 0.00 O ATOM 0 H SER A 71 8.372 -13.328 5.211 1.00 0.00 H new ATOM 0 HA SER A 71 8.554 -15.842 3.668 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.134 -15.220 6.289 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.428 -16.805 5.600 1.00 0.00 H new ATOM 0 HG SER A 71 8.985 -16.252 7.230 1.00 0.00 H new ATOM 1191 N PRO A 72 6.071 -15.993 2.992 1.00 0.00 N ATOM 1192 CA PRO A 72 4.749 -15.932 2.351 1.00 0.00 C ATOM 1193 C PRO A 72 3.650 -15.431 3.288 1.00 0.00 C ATOM 1194 O PRO A 72 2.784 -14.660 2.880 1.00 0.00 O ATOM 1195 CB PRO A 72 4.484 -17.384 1.954 1.00 0.00 C ATOM 1196 CG PRO A 72 5.838 -17.969 1.761 1.00 0.00 C ATOM 1197 CD PRO A 72 6.723 -17.300 2.774 1.00 0.00 C ATOM 0 HA PRO A 72 4.742 -15.230 1.517 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.930 -17.913 2.729 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.891 -17.444 1.041 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.822 -19.049 1.909 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.200 -17.791 0.748 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.784 -17.877 3.697 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.741 -17.184 2.403 1.00 0.00 H new ATOM 1205 N THR A 73 3.696 -15.863 4.542 1.00 0.00 N ATOM 1206 CA THR A 73 2.723 -15.436 5.541 1.00 0.00 C ATOM 1207 C THR A 73 2.734 -13.917 5.702 1.00 0.00 C ATOM 1208 O THR A 73 1.681 -13.267 5.740 1.00 0.00 O ATOM 1209 CB THR A 73 3.032 -16.085 6.899 1.00 0.00 C ATOM 1210 OG1 THR A 73 4.410 -15.859 7.230 1.00 0.00 O ATOM 1211 CG2 THR A 73 2.751 -17.579 6.872 1.00 0.00 C ATOM 0 H THR A 73 4.400 -16.512 4.893 1.00 0.00 H new ATOM 0 HA THR A 73 1.737 -15.750 5.198 1.00 0.00 H new ATOM 0 HB THR A 73 2.387 -15.633 7.652 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.610 -16.270 8.097 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.979 -18.010 7.847 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.700 -17.747 6.638 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.372 -18.052 6.112 1.00 0.00 H new ATOM 1219 N ARG A 74 3.934 -13.358 5.773 1.00 0.00 N ATOM 1220 CA ARG A 74 4.110 -11.930 5.970 1.00 0.00 C ATOM 1221 C ARG A 74 3.638 -11.156 4.748 1.00 0.00 C ATOM 1222 O ARG A 74 2.927 -10.161 4.872 1.00 0.00 O ATOM 1223 CB ARG A 74 5.579 -11.605 6.252 1.00 0.00 C ATOM 1224 CG ARG A 74 6.138 -12.280 7.493 1.00 0.00 C ATOM 1225 CD ARG A 74 5.309 -11.956 8.726 1.00 0.00 C ATOM 1226 NE ARG A 74 5.953 -12.418 9.951 1.00 0.00 N ATOM 1227 CZ ARG A 74 5.304 -12.943 10.989 1.00 0.00 C ATOM 1228 NH1 ARG A 74 3.992 -13.147 10.929 1.00 0.00 N ATOM 1229 NH2 ARG A 74 5.966 -13.280 12.083 1.00 0.00 N ATOM 0 H ARG A 74 4.807 -13.880 5.696 1.00 0.00 H new ATOM 0 HA ARG A 74 3.509 -11.631 6.829 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.177 -11.901 5.390 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.687 -10.526 6.359 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.161 -13.359 7.342 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.167 -11.958 7.651 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.149 -10.879 8.784 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.327 -12.419 8.635 1.00 0.00 H new ATOM 0 HE ARG A 74 6.967 -12.333 10.017 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.476 -12.901 10.084 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.501 -13.549 11.728 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.975 -13.138 12.133 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.468 -13.682 12.877 1.00 0.00 H new ATOM 1243 N VAL A 75 4.016 -11.625 3.564 1.00 0.00 N ATOM 1244 CA VAL A 75 3.675 -10.919 2.336 1.00 0.00 C ATOM 1245 C VAL A 75 2.180 -11.034 2.035 1.00 0.00 C ATOM 1246 O VAL A 75 1.616 -10.189 1.336 1.00 0.00 O ATOM 1247 CB VAL A 75 4.503 -11.410 1.120 1.00 0.00 C ATOM 1248 CG1 VAL A 75 5.986 -11.432 1.455 1.00 0.00 C ATOM 1249 CG2 VAL A 75 4.036 -12.771 0.628 1.00 0.00 C ATOM 0 H VAL A 75 4.553 -12.482 3.429 1.00 0.00 H new ATOM 0 HA VAL A 75 3.926 -9.871 2.501 1.00 0.00 H new ATOM 0 HB VAL A 75 4.343 -10.702 0.307 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.550 -11.779 0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.314 -10.427 1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.159 -12.105 2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.642 -13.077 -0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.140 -13.503 1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.990 -12.710 0.326 1.00 0.00 H new ATOM 1259 N ARG A 76 1.549 -12.073 2.574 1.00 0.00 N ATOM 1260 CA ARG A 76 0.109 -12.254 2.434 1.00 0.00 C ATOM 1261 C ARG A 76 -0.626 -11.177 3.222 1.00 0.00 C ATOM 1262 O ARG A 76 -1.582 -10.576 2.732 1.00 0.00 O ATOM 1263 CB ARG A 76 -0.310 -13.639 2.937 1.00 0.00 C ATOM 1264 CG ARG A 76 -1.768 -13.971 2.663 1.00 0.00 C ATOM 1265 CD ARG A 76 -2.199 -15.234 3.389 1.00 0.00 C ATOM 1266 NE ARG A 76 -3.511 -15.695 2.947 1.00 0.00 N ATOM 1267 CZ ARG A 76 -4.567 -15.839 3.743 1.00 0.00 C ATOM 1268 NH1 ARG A 76 -4.497 -15.512 5.028 1.00 0.00 N ATOM 1269 NH2 ARG A 76 -5.700 -16.310 3.242 1.00 0.00 N ATOM 0 H ARG A 76 2.014 -12.804 3.113 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.151 -12.172 1.379 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.320 -14.393 2.466 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.128 -13.697 4.010 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.397 -13.138 2.977 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.918 -14.098 1.591 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.462 -16.019 3.220 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.223 -15.045 4.462 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.626 -15.923 1.959 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.627 -15.146 5.414 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.313 -15.627 5.629 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.757 -16.558 2.254 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.515 -16.424 3.844 1.00 0.00 H new ATOM 1283 N TYR A 77 -0.159 -10.924 4.442 1.00 0.00 N ATOM 1284 CA TYR A 77 -0.766 -9.903 5.288 1.00 0.00 C ATOM 1285 C TYR A 77 -0.573 -8.519 4.671 1.00 0.00 C ATOM 1286 O TYR A 77 -1.467 -7.676 4.714 1.00 0.00 O ATOM 1287 CB TYR A 77 -0.171 -9.949 6.697 1.00 0.00 C ATOM 1288 CG TYR A 77 -0.861 -9.024 7.671 1.00 0.00 C ATOM 1289 CD1 TYR A 77 -2.158 -9.281 8.094 1.00 0.00 C ATOM 1290 CD2 TYR A 77 -0.222 -7.894 8.161 1.00 0.00 C ATOM 1291 CE1 TYR A 77 -2.799 -8.437 8.977 1.00 0.00 C ATOM 1292 CE2 TYR A 77 -0.857 -7.044 9.045 1.00 0.00 C ATOM 1293 CZ TYR A 77 -2.144 -7.320 9.449 1.00 0.00 C ATOM 1294 OH TYR A 77 -2.782 -6.471 10.327 1.00 0.00 O ATOM 0 H TYR A 77 0.633 -11.409 4.864 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.835 -10.105 5.361 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.229 -10.970 7.074 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.886 -9.687 6.646 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.673 -10.156 7.726 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.788 -7.676 7.846 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.808 -8.650 9.297 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.347 -6.168 9.417 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.639 -6.188 9.945 1.00 0.00 H new ATOM 1304 N ILE A 78 0.599 -8.297 4.089 1.00 0.00 N ATOM 1305 CA ILE A 78 0.882 -7.052 3.385 1.00 0.00 C ATOM 1306 C ILE A 78 -0.069 -6.865 2.195 1.00 0.00 C ATOM 1307 O ILE A 78 -0.424 -5.737 1.839 1.00 0.00 O ATOM 1308 CB ILE A 78 2.350 -7.005 2.908 1.00 0.00 C ATOM 1309 CG1 ILE A 78 3.289 -7.142 4.110 1.00 0.00 C ATOM 1310 CG2 ILE A 78 2.635 -5.709 2.156 1.00 0.00 C ATOM 1311 CD1 ILE A 78 4.751 -7.244 3.739 1.00 0.00 C ATOM 0 H ILE A 78 1.370 -8.964 4.091 1.00 0.00 H new ATOM 0 HA ILE A 78 0.722 -6.233 4.087 1.00 0.00 H new ATOM 0 HB ILE A 78 2.522 -7.836 2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.150 -6.283 4.766 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.007 -8.027 4.680 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.675 -5.699 1.830 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.981 -5.642 1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.453 -4.859 2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.350 -7.338 4.644 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.906 -8.119 3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.052 -6.348 3.196 1.00 0.00 H new ATOM 1323 N HIS A 79 -0.493 -7.974 1.598 1.00 0.00 N ATOM 1324 CA HIS A 79 -1.433 -7.928 0.481 1.00 0.00 C ATOM 1325 C HIS A 79 -2.811 -7.465 0.953 1.00 0.00 C ATOM 1326 O HIS A 79 -3.459 -6.646 0.297 1.00 0.00 O ATOM 1327 CB HIS A 79 -1.542 -9.307 -0.195 1.00 0.00 C ATOM 1328 CG HIS A 79 -2.477 -9.350 -1.378 1.00 0.00 C ATOM 1329 ND1 HIS A 79 -3.399 -10.357 -1.583 1.00 0.00 N ATOM 1330 CD2 HIS A 79 -2.616 -8.506 -2.431 1.00 0.00 C ATOM 1331 CE1 HIS A 79 -4.057 -10.129 -2.707 1.00 0.00 C ATOM 1332 NE2 HIS A 79 -3.603 -9.011 -3.238 1.00 0.00 N ATOM 0 H HIS A 79 -0.202 -8.914 1.867 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.055 -7.211 -0.248 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.549 -9.618 -0.521 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.877 -10.035 0.544 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -2.052 -7.601 -2.602 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -4.835 -10.753 -3.120 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -3.932 -8.590 -4.107 1.00 0.00 H new ATOM 1341 N VAL A 80 -3.250 -7.974 2.099 1.00 0.00 N ATOM 1342 CA VAL A 80 -4.584 -7.657 2.594 1.00 0.00 C ATOM 1343 C VAL A 80 -4.634 -6.268 3.234 1.00 0.00 C ATOM 1344 O VAL A 80 -5.625 -5.555 3.083 1.00 0.00 O ATOM 1345 CB VAL A 80 -5.124 -8.726 3.579 1.00 0.00 C ATOM 1346 CG1 VAL A 80 -5.188 -10.086 2.901 1.00 0.00 C ATOM 1347 CG2 VAL A 80 -4.289 -8.802 4.850 1.00 0.00 C ATOM 0 H VAL A 80 -2.709 -8.600 2.696 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.237 -7.658 1.721 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.131 -8.426 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.569 -10.826 3.605 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.851 -10.031 2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.190 -10.377 2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.702 -9.563 5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.261 -9.062 4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.305 -7.836 5.354 1.00 0.00 H new ATOM 1357 N VAL A 81 -3.560 -5.869 3.920 1.00 0.00 N ATOM 1358 CA VAL A 81 -3.511 -4.544 4.538 1.00 0.00 C ATOM 1359 C VAL A 81 -3.517 -3.452 3.471 1.00 0.00 C ATOM 1360 O VAL A 81 -4.121 -2.393 3.653 1.00 0.00 O ATOM 1361 CB VAL A 81 -2.279 -4.364 5.468 1.00 0.00 C ATOM 1362 CG1 VAL A 81 -0.975 -4.502 4.701 1.00 0.00 C ATOM 1363 CG2 VAL A 81 -2.323 -3.019 6.177 1.00 0.00 C ATOM 0 H VAL A 81 -2.724 -6.436 4.060 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.404 -4.456 5.156 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.322 -5.157 6.214 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.136 -4.370 5.384 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.922 -5.492 4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.930 -3.743 3.920 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.450 -2.919 6.821 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.323 -2.218 5.438 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.228 -2.955 6.781 1.00 0.00 H new ATOM 1373 N LEU A 82 -2.862 -3.722 2.343 1.00 0.00 N ATOM 1374 CA LEU A 82 -2.812 -2.763 1.254 1.00 0.00 C ATOM 1375 C LEU A 82 -4.199 -2.584 0.651 1.00 0.00 C ATOM 1376 O LEU A 82 -4.659 -1.462 0.462 1.00 0.00 O ATOM 1377 CB LEU A 82 -1.814 -3.213 0.185 1.00 0.00 C ATOM 1378 CG LEU A 82 -1.559 -2.201 -0.935 1.00 0.00 C ATOM 1379 CD1 LEU A 82 -1.050 -0.887 -0.363 1.00 0.00 C ATOM 1380 CD2 LEU A 82 -0.569 -2.763 -1.942 1.00 0.00 C ATOM 0 H LEU A 82 -2.363 -4.594 2.165 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.476 -1.804 1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.865 -3.441 0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.176 -4.140 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.502 -2.009 -1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.875 -0.181 -1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.792 -0.476 0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.118 -1.061 0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.398 -2.031 -2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.374 -2.983 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.971 -3.678 -2.376 1.00 0.00 H new ATOM 1392 N HIS A 83 -4.871 -3.699 0.378 1.00 0.00 N ATOM 1393 CA HIS A 83 -6.230 -3.666 -0.159 1.00 0.00 C ATOM 1394 C HIS A 83 -7.186 -2.987 0.821 1.00 0.00 C ATOM 1395 O HIS A 83 -8.084 -2.250 0.412 1.00 0.00 O ATOM 1396 CB HIS A 83 -6.716 -5.092 -0.473 1.00 0.00 C ATOM 1397 CG HIS A 83 -8.202 -5.201 -0.679 1.00 0.00 C ATOM 1398 ND1 HIS A 83 -8.855 -4.727 -1.799 1.00 0.00 N ATOM 1399 CD2 HIS A 83 -9.168 -5.719 0.120 1.00 0.00 C ATOM 1400 CE1 HIS A 83 -10.153 -4.950 -1.676 1.00 0.00 C ATOM 1401 NE2 HIS A 83 -10.368 -5.549 -0.522 1.00 0.00 N ATOM 0 H HIS A 83 -4.497 -4.637 0.520 1.00 0.00 H new ATOM 0 HA HIS A 83 -6.217 -3.087 -1.082 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -6.208 -5.449 -1.369 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -6.423 -5.752 0.343 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -8.407 -4.276 -2.596 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -9.019 -6.181 1.085 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -10.910 -4.686 -2.400 1.00 0.00 H new ATOM 1410 N GLU A 84 -6.986 -3.250 2.105 1.00 0.00 N ATOM 1411 CA GLU A 84 -7.857 -2.724 3.147 1.00 0.00 C ATOM 1412 C GLU A 84 -7.940 -1.201 3.082 1.00 0.00 C ATOM 1413 O GLU A 84 -9.014 -0.639 2.870 1.00 0.00 O ATOM 1414 CB GLU A 84 -7.350 -3.161 4.524 1.00 0.00 C ATOM 1415 CG GLU A 84 -8.294 -2.813 5.662 1.00 0.00 C ATOM 1416 CD GLU A 84 -9.606 -3.562 5.574 1.00 0.00 C ATOM 1417 OE1 GLU A 84 -10.483 -3.139 4.797 1.00 0.00 O ATOM 1418 OE2 GLU A 84 -9.765 -4.580 6.280 1.00 0.00 O ATOM 0 H GLU A 84 -6.222 -3.829 2.452 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.857 -3.125 2.985 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.187 -4.239 4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.383 -2.694 4.710 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.812 -3.041 6.613 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.490 -1.741 5.653 1.00 0.00 H new ATOM 1425 N ALA A 85 -6.795 -0.546 3.229 1.00 0.00 N ATOM 1426 CA ALA A 85 -6.752 0.909 3.309 1.00 0.00 C ATOM 1427 C ALA A 85 -6.953 1.562 1.943 1.00 0.00 C ATOM 1428 O ALA A 85 -7.456 2.683 1.847 1.00 0.00 O ATOM 1429 CB ALA A 85 -5.437 1.353 3.925 1.00 0.00 C ATOM 0 H ALA A 85 -5.884 -0.999 3.295 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.576 1.234 3.944 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.411 2.441 3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.345 0.935 4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.610 1.002 3.308 1.00 0.00 H new ATOM 1435 N MET A 86 -6.570 0.854 0.885 1.00 0.00 N ATOM 1436 CA MET A 86 -6.682 1.381 -0.474 1.00 0.00 C ATOM 1437 C MET A 86 -8.147 1.484 -0.900 1.00 0.00 C ATOM 1438 O MET A 86 -8.494 2.260 -1.793 1.00 0.00 O ATOM 1439 CB MET A 86 -5.888 0.500 -1.446 1.00 0.00 C ATOM 1440 CG MET A 86 -5.916 0.974 -2.892 1.00 0.00 C ATOM 1441 SD MET A 86 -4.629 0.207 -3.895 1.00 0.00 S ATOM 1442 CE MET A 86 -3.165 0.854 -3.089 1.00 0.00 C ATOM 0 H MET A 86 -6.179 -0.086 0.941 1.00 0.00 H new ATOM 0 HA MET A 86 -6.261 2.386 -0.494 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.852 0.454 -1.112 1.00 0.00 H new ATOM 0 HB3 MET A 86 -6.282 -0.515 -1.402 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.891 0.751 -3.325 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.796 2.057 -2.918 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.349 0.914 -3.810 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.376 1.849 -2.696 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.878 0.194 -2.270 1.00 0.00 H new ATOM 1452 N SER A 87 -9.006 0.726 -0.233 1.00 0.00 N ATOM 1453 CA SER A 87 -10.430 0.739 -0.532 1.00 0.00 C ATOM 1454 C SER A 87 -11.054 2.097 -0.202 1.00 0.00 C ATOM 1455 O SER A 87 -11.964 2.547 -0.893 1.00 0.00 O ATOM 1456 CB SER A 87 -11.138 -0.385 0.227 1.00 0.00 C ATOM 1457 OG SER A 87 -10.659 -1.656 -0.192 1.00 0.00 O ATOM 0 H SER A 87 -8.740 0.093 0.521 1.00 0.00 H new ATOM 0 HA SER A 87 -10.556 0.571 -1.602 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.976 -0.265 1.298 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.213 -0.323 0.059 1.00 0.00 H new ATOM 0 HG SER A 87 -9.714 -1.745 0.050 1.00 0.00 H new ATOM 1463 N GLN A 88 -10.546 2.764 0.833 1.00 0.00 N ATOM 1464 CA GLN A 88 -11.051 4.085 1.204 1.00 0.00 C ATOM 1465 C GLN A 88 -10.757 5.107 0.109 1.00 0.00 C ATOM 1466 O GLN A 88 -11.565 6.000 -0.152 1.00 0.00 O ATOM 1467 CB GLN A 88 -10.463 4.552 2.540 1.00 0.00 C ATOM 1468 CG GLN A 88 -11.187 3.993 3.757 1.00 0.00 C ATOM 1469 CD GLN A 88 -11.058 2.487 3.882 1.00 0.00 C ATOM 1470 OE1 GLN A 88 -10.046 1.907 3.500 1.00 0.00 O ATOM 1471 NE2 GLN A 88 -12.090 1.847 4.402 1.00 0.00 N ATOM 0 H GLN A 88 -9.792 2.416 1.425 1.00 0.00 H new ATOM 0 HA GLN A 88 -12.132 4.002 1.320 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.414 4.260 2.587 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.493 5.641 2.579 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.790 4.462 4.657 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -12.243 4.258 3.699 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.912 2.368 4.707 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -12.065 0.832 4.498 1.00 0.00 H new ATOM 1480 N ALA A 89 -9.609 4.963 -0.545 1.00 0.00 N ATOM 1481 CA ALA A 89 -9.257 5.830 -1.660 1.00 0.00 C ATOM 1482 C ALA A 89 -10.184 5.562 -2.839 1.00 0.00 C ATOM 1483 O ALA A 89 -10.573 6.475 -3.567 1.00 0.00 O ATOM 1484 CB ALA A 89 -7.807 5.621 -2.062 1.00 0.00 C ATOM 0 H ALA A 89 -8.909 4.255 -0.322 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.376 6.868 -1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.563 6.278 -2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.158 5.852 -1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.658 4.583 -2.361 1.00 0.00 H new ATOM 1490 N ARG A 90 -10.536 4.295 -3.008 1.00 0.00 N ATOM 1491 CA ARG A 90 -11.482 3.883 -4.035 1.00 0.00 C ATOM 1492 C ARG A 90 -12.861 4.482 -3.763 1.00 0.00 C ATOM 1493 O ARG A 90 -13.469 5.090 -4.647 1.00 0.00 O ATOM 1494 CB ARG A 90 -11.560 2.354 -4.079 1.00 0.00 C ATOM 1495 CG ARG A 90 -12.615 1.811 -5.027 1.00 0.00 C ATOM 1496 CD ARG A 90 -12.695 0.298 -4.939 1.00 0.00 C ATOM 1497 NE ARG A 90 -13.761 -0.254 -5.770 1.00 0.00 N ATOM 1498 CZ ARG A 90 -14.038 -1.555 -5.856 1.00 0.00 C ATOM 1499 NH1 ARG A 90 -13.349 -2.435 -5.143 1.00 0.00 N ATOM 1500 NH2 ARG A 90 -15.014 -1.977 -6.649 1.00 0.00 N ATOM 0 H ARG A 90 -10.176 3.528 -2.440 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.138 4.249 -5.003 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.587 1.960 -4.372 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -11.765 1.983 -3.075 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.585 2.245 -4.785 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.379 2.108 -6.049 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.741 -0.132 -5.245 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.859 0.006 -3.902 1.00 0.00 H new ATOM 0 HE ARG A 90 -14.327 0.394 -6.317 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.603 -2.118 -4.525 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.565 -3.429 -5.213 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.554 -1.305 -7.195 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.224 -2.973 -6.713 1.00 0.00 H new ATOM 1514 N GLU A 91 -13.337 4.324 -2.529 1.00 0.00 N ATOM 1515 CA GLU A 91 -14.650 4.831 -2.132 1.00 0.00 C ATOM 1516 C GLU A 91 -14.741 6.340 -2.327 1.00 0.00 C ATOM 1517 O GLU A 91 -15.753 6.855 -2.805 1.00 0.00 O ATOM 1518 CB GLU A 91 -14.948 4.494 -0.670 1.00 0.00 C ATOM 1519 CG GLU A 91 -15.032 3.005 -0.381 1.00 0.00 C ATOM 1520 CD GLU A 91 -15.520 2.721 1.024 1.00 0.00 C ATOM 1521 OE1 GLU A 91 -16.752 2.675 1.223 1.00 0.00 O ATOM 1522 OE2 GLU A 91 -14.683 2.548 1.934 1.00 0.00 O ATOM 0 H GLU A 91 -12.830 3.847 -1.784 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.388 4.346 -2.770 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.172 4.932 -0.042 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.890 4.962 -0.385 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.704 2.535 -1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.050 2.554 -0.521 1.00 0.00 H new ATOM 1529 N SER A 92 -13.669 7.036 -1.975 1.00 0.00 N ATOM 1530 CA SER A 92 -13.631 8.491 -2.051 1.00 0.00 C ATOM 1531 C SER A 92 -13.659 8.983 -3.502 1.00 0.00 C ATOM 1532 O SER A 92 -13.802 10.178 -3.757 1.00 0.00 O ATOM 1533 CB SER A 92 -12.384 9.014 -1.336 1.00 0.00 C ATOM 1534 OG SER A 92 -12.350 8.571 0.013 1.00 0.00 O ATOM 0 H SER A 92 -12.807 6.613 -1.631 1.00 0.00 H new ATOM 0 HA SER A 92 -14.522 8.879 -1.557 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.490 8.672 -1.858 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.373 10.104 -1.366 1.00 0.00 H new ATOM 0 HG SER A 92 -12.087 7.627 0.041 1.00 0.00 H new ATOM 1540 N GLY A 93 -13.516 8.063 -4.449 1.00 0.00 N ATOM 1541 CA GLY A 93 -13.581 8.434 -5.850 1.00 0.00 C ATOM 1542 C GLY A 93 -12.223 8.770 -6.426 1.00 0.00 C ATOM 1543 O GLY A 93 -12.098 9.051 -7.618 1.00 0.00 O ATOM 0 H GLY A 93 -13.357 7.071 -4.273 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.020 7.615 -6.419 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -14.243 9.293 -5.964 1.00 0.00 H new ATOM 1547 N LEU A 94 -11.201 8.737 -5.580 1.00 0.00 N ATOM 1548 CA LEU A 94 -9.836 8.993 -6.020 1.00 0.00 C ATOM 1549 C LEU A 94 -9.377 7.865 -6.929 1.00 0.00 C ATOM 1550 O LEU A 94 -8.721 8.085 -7.946 1.00 0.00 O ATOM 1551 CB LEU A 94 -8.896 9.103 -4.813 1.00 0.00 C ATOM 1552 CG LEU A 94 -9.280 10.162 -3.777 1.00 0.00 C ATOM 1553 CD1 LEU A 94 -8.322 10.126 -2.597 1.00 0.00 C ATOM 1554 CD2 LEU A 94 -9.298 11.547 -4.408 1.00 0.00 C ATOM 0 H LEU A 94 -11.292 8.535 -4.584 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.811 9.936 -6.567 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.853 8.133 -4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.891 9.321 -5.175 1.00 0.00 H new ATOM 0 HG LEU A 94 -10.283 9.938 -3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.611 10.886 -1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.359 9.143 -2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.308 10.324 -2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.573 12.286 -3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.309 11.781 -4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.025 11.568 -5.220 1.00 0.00 H new ATOM 1566 N LEU A 95 -9.750 6.654 -6.554 1.00 0.00 N ATOM 1567 CA LEU A 95 -9.420 5.476 -7.330 1.00 0.00 C ATOM 1568 C LEU A 95 -10.704 4.822 -7.829 1.00 0.00 C ATOM 1569 O LEU A 95 -11.686 4.726 -7.094 1.00 0.00 O ATOM 1570 CB LEU A 95 -8.600 4.507 -6.475 1.00 0.00 C ATOM 1571 CG LEU A 95 -7.883 3.393 -7.237 1.00 0.00 C ATOM 1572 CD1 LEU A 95 -6.998 3.977 -8.330 1.00 0.00 C ATOM 1573 CD2 LEU A 95 -7.060 2.559 -6.269 1.00 0.00 C ATOM 0 H LEU A 95 -10.287 6.462 -5.708 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.818 5.756 -8.194 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.856 5.080 -5.922 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.263 4.051 -5.740 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.626 2.752 -7.712 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.496 3.169 -8.862 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.611 4.546 -9.029 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.253 4.635 -7.882 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.550 1.765 -6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.322 3.194 -5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.717 2.119 -5.519 1.00 0.00 H new ATOM 1585 N LEU A 96 -10.697 4.387 -9.080 1.00 0.00 N ATOM 1586 CA LEU A 96 -11.909 3.881 -9.721 1.00 0.00 C ATOM 1587 C LEU A 96 -12.090 2.382 -9.506 1.00 0.00 C ATOM 1588 O LEU A 96 -13.188 1.854 -9.682 1.00 0.00 O ATOM 1589 CB LEU A 96 -11.894 4.176 -11.227 1.00 0.00 C ATOM 1590 CG LEU A 96 -10.843 3.420 -12.054 1.00 0.00 C ATOM 1591 CD1 LEU A 96 -11.193 3.484 -13.530 1.00 0.00 C ATOM 1592 CD2 LEU A 96 -9.448 3.990 -11.828 1.00 0.00 C ATOM 0 H LEU A 96 -9.868 4.373 -9.674 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.747 4.398 -9.254 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -12.880 3.945 -11.631 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.735 5.245 -11.365 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.844 2.380 -11.727 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.441 2.945 -14.106 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -12.170 3.029 -13.692 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -11.220 4.525 -13.853 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.726 3.434 -12.427 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -9.432 5.039 -12.122 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.187 3.905 -10.773 1.00 0.00 H new ATOM 1604 N GLN A 97 -11.019 1.700 -9.124 1.00 0.00 N ATOM 1605 CA GLN A 97 -11.047 0.249 -9.019 1.00 0.00 C ATOM 1606 C GLN A 97 -10.166 -0.241 -7.882 1.00 0.00 C ATOM 1607 O GLN A 97 -9.547 0.555 -7.175 1.00 0.00 O ATOM 1608 CB GLN A 97 -10.591 -0.375 -10.340 1.00 0.00 C ATOM 1609 CG GLN A 97 -9.218 0.098 -10.797 1.00 0.00 C ATOM 1610 CD GLN A 97 -8.768 -0.573 -12.079 1.00 0.00 C ATOM 1611 OE1 GLN A 97 -9.588 -0.974 -12.903 1.00 0.00 O ATOM 1612 NE2 GLN A 97 -7.462 -0.692 -12.257 1.00 0.00 N ATOM 0 H GLN A 97 -10.124 2.126 -8.883 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.071 -0.056 -8.805 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.575 -1.460 -10.233 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.322 -0.142 -11.114 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.240 1.178 -10.945 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.489 -0.101 -10.012 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.817 -0.345 -11.547 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -7.101 -1.130 -13.104 1.00 0.00 H new ATOM 1621 N ASN A 98 -10.128 -1.552 -7.715 1.00 0.00 N ATOM 1622 CA ASN A 98 -9.266 -2.191 -6.731 1.00 0.00 C ATOM 1623 C ASN A 98 -8.086 -2.859 -7.434 1.00 0.00 C ATOM 1624 O ASN A 98 -8.199 -3.988 -7.914 1.00 0.00 O ATOM 1625 CB ASN A 98 -10.072 -3.230 -5.936 1.00 0.00 C ATOM 1626 CG ASN A 98 -9.220 -4.097 -5.023 1.00 0.00 C ATOM 1627 OD1 ASN A 98 -8.202 -3.658 -4.486 1.00 0.00 O ATOM 1628 ND2 ASN A 98 -9.637 -5.341 -4.834 1.00 0.00 N ATOM 0 H ASN A 98 -10.694 -2.205 -8.257 1.00 0.00 H new ATOM 0 HA ASN A 98 -8.883 -1.439 -6.041 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -10.822 -2.714 -5.336 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.609 -3.872 -6.634 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -9.110 -5.969 -4.227 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.485 -5.670 -5.295 1.00 0.00 H new ATOM 1635 N PRO A 99 -6.939 -2.164 -7.519 1.00 0.00 N ATOM 1636 CA PRO A 99 -5.754 -2.664 -8.221 1.00 0.00 C ATOM 1637 C PRO A 99 -5.062 -3.776 -7.450 1.00 0.00 C ATOM 1638 O PRO A 99 -4.269 -4.535 -8.005 1.00 0.00 O ATOM 1639 CB PRO A 99 -4.833 -1.437 -8.325 1.00 0.00 C ATOM 1640 CG PRO A 99 -5.648 -0.274 -7.859 1.00 0.00 C ATOM 1641 CD PRO A 99 -6.698 -0.835 -6.948 1.00 0.00 C ATOM 0 HA PRO A 99 -6.013 -3.093 -9.189 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.943 -1.563 -7.708 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -4.492 -1.290 -9.350 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -5.026 0.452 -7.335 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -6.102 0.246 -8.703 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.351 -0.894 -5.917 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.601 -0.225 -6.946 1.00 0.00 H new ATOM 1649 N THR A 100 -5.382 -3.877 -6.167 1.00 0.00 N ATOM 1650 CA THR A 100 -4.798 -4.892 -5.311 1.00 0.00 C ATOM 1651 C THR A 100 -5.375 -6.267 -5.654 1.00 0.00 C ATOM 1652 O THR A 100 -4.842 -7.301 -5.246 1.00 0.00 O ATOM 1653 CB THR A 100 -5.069 -4.570 -3.832 1.00 0.00 C ATOM 1654 OG1 THR A 100 -5.300 -3.162 -3.678 1.00 0.00 O ATOM 1655 CG2 THR A 100 -3.892 -4.984 -2.964 1.00 0.00 C ATOM 0 H THR A 100 -6.047 -3.263 -5.697 1.00 0.00 H new ATOM 0 HA THR A 100 -3.721 -4.904 -5.477 1.00 0.00 H new ATOM 0 HB THR A 100 -5.951 -5.127 -3.516 1.00 0.00 H new ATOM 0 HG1 THR A 100 -6.255 -2.973 -3.792 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.107 -4.746 -1.922 1.00 0.00 H new ATOM 0 HG22 THR A 100 -3.725 -6.056 -3.065 1.00 0.00 H new ATOM 0 HG23 THR A 100 -2.999 -4.446 -3.282 1.00 0.00 H new ATOM 1663 N GLU A 101 -6.467 -6.259 -6.416 1.00 0.00 N ATOM 1664 CA GLU A 101 -7.106 -7.484 -6.871 1.00 0.00 C ATOM 1665 C GLU A 101 -6.339 -8.060 -8.060 1.00 0.00 C ATOM 1666 O GLU A 101 -6.153 -9.272 -8.171 1.00 0.00 O ATOM 1667 CB GLU A 101 -8.554 -7.199 -7.275 1.00 0.00 C ATOM 1668 CG GLU A 101 -9.397 -8.447 -7.463 1.00 0.00 C ATOM 1669 CD GLU A 101 -9.592 -9.214 -6.171 1.00 0.00 C ATOM 1670 OE1 GLU A 101 -10.329 -8.726 -5.287 1.00 0.00 O ATOM 1671 OE2 GLU A 101 -9.020 -10.313 -6.030 1.00 0.00 O ATOM 0 H GLU A 101 -6.929 -5.406 -6.732 1.00 0.00 H new ATOM 0 HA GLU A 101 -7.100 -8.210 -6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.017 -6.571 -6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.556 -6.628 -8.203 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.370 -8.167 -7.866 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -8.922 -9.096 -8.199 1.00 0.00 H new ATOM 1678 N ALA A 102 -5.883 -7.173 -8.941 1.00 0.00 N ATOM 1679 CA ALA A 102 -5.132 -7.582 -10.121 1.00 0.00 C ATOM 1680 C ALA A 102 -3.659 -7.759 -9.783 1.00 0.00 C ATOM 1681 O ALA A 102 -2.862 -8.184 -10.619 1.00 0.00 O ATOM 1682 CB ALA A 102 -5.303 -6.569 -11.243 1.00 0.00 C ATOM 0 H ALA A 102 -6.022 -6.166 -8.858 1.00 0.00 H new ATOM 0 HA ALA A 102 -5.525 -8.540 -10.461 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.735 -6.892 -12.115 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.358 -6.492 -11.506 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.939 -5.596 -10.913 1.00 0.00 H new ATOM 1688 N ALA A 103 -3.302 -7.416 -8.555 1.00 0.00 N ATOM 1689 CA ALA A 103 -1.952 -7.615 -8.066 1.00 0.00 C ATOM 1690 C ALA A 103 -1.849 -8.959 -7.363 1.00 0.00 C ATOM 1691 O ALA A 103 -2.193 -9.091 -6.185 1.00 0.00 O ATOM 1692 CB ALA A 103 -1.555 -6.488 -7.133 1.00 0.00 C ATOM 0 H ALA A 103 -3.936 -6.995 -7.876 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.265 -7.611 -8.912 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.539 -6.653 -6.775 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.602 -5.539 -7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.239 -6.460 -6.284 1.00 0.00 H new ATOM 1698 N LYS A 104 -1.410 -9.959 -8.105 1.00 0.00 N ATOM 1699 CA LYS A 104 -1.342 -11.318 -7.600 1.00 0.00 C ATOM 1700 C LYS A 104 0.108 -11.732 -7.381 1.00 0.00 C ATOM 1701 O LYS A 104 0.987 -11.373 -8.169 1.00 0.00 O ATOM 1702 CB LYS A 104 -2.038 -12.256 -8.589 1.00 0.00 C ATOM 1703 CG LYS A 104 -3.516 -11.928 -8.765 1.00 0.00 C ATOM 1704 CD LYS A 104 -4.095 -12.508 -10.046 1.00 0.00 C ATOM 1705 CE LYS A 104 -4.072 -14.026 -10.048 1.00 0.00 C ATOM 1706 NZ LYS A 104 -4.673 -14.577 -11.289 1.00 0.00 N ATOM 0 H LYS A 104 -1.092 -9.854 -9.069 1.00 0.00 H new ATOM 0 HA LYS A 104 -1.851 -11.377 -6.638 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.538 -12.195 -9.556 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.936 -13.284 -8.242 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.074 -12.313 -7.911 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.646 -10.846 -8.769 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.121 -12.161 -10.169 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.529 -12.136 -10.900 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.044 -14.376 -9.954 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.617 -14.400 -9.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.641 -15.616 -11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.661 -14.263 -11.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -4.138 -14.239 -12.114 1.00 0.00 H new ATOM 1720 N PRO A 105 0.375 -12.474 -6.296 1.00 0.00 N ATOM 1721 CA PRO A 105 1.730 -12.911 -5.937 1.00 0.00 C ATOM 1722 C PRO A 105 2.383 -13.752 -7.030 1.00 0.00 C ATOM 1723 O PRO A 105 1.847 -14.785 -7.437 1.00 0.00 O ATOM 1724 CB PRO A 105 1.521 -13.753 -4.673 1.00 0.00 C ATOM 1725 CG PRO A 105 0.204 -13.318 -4.132 1.00 0.00 C ATOM 1726 CD PRO A 105 -0.626 -12.949 -5.326 1.00 0.00 C ATOM 0 HA PRO A 105 2.398 -12.062 -5.793 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.520 -14.818 -4.904 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.319 -13.585 -3.950 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.267 -14.117 -3.560 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.319 -12.469 -3.458 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.184 -13.804 -5.709 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.354 -12.174 -5.087 1.00 0.00 H new ATOM 1734 N PRO A 106 3.544 -13.310 -7.530 1.00 0.00 N ATOM 1735 CA PRO A 106 4.282 -14.030 -8.557 1.00 0.00 C ATOM 1736 C PRO A 106 5.134 -15.150 -7.973 1.00 0.00 C ATOM 1737 O PRO A 106 6.314 -14.959 -7.669 1.00 0.00 O ATOM 1738 CB PRO A 106 5.157 -12.945 -9.177 1.00 0.00 C ATOM 1739 CG PRO A 106 5.408 -11.976 -8.069 1.00 0.00 C ATOM 1740 CD PRO A 106 4.225 -12.064 -7.136 1.00 0.00 C ATOM 0 HA PRO A 106 3.626 -14.524 -9.273 1.00 0.00 H new ATOM 0 HB2 PRO A 106 6.090 -13.360 -9.558 1.00 0.00 H new ATOM 0 HB3 PRO A 106 4.655 -12.464 -10.017 1.00 0.00 H new ATOM 0 HG2 PRO A 106 6.332 -12.219 -7.545 1.00 0.00 H new ATOM 0 HG3 PRO A 106 5.519 -10.964 -8.458 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.542 -12.096 -6.094 1.00 0.00 H new ATOM 0 HD3 PRO A 106 3.568 -11.201 -7.243 1.00 0.00 H new ATOM 1748 N ARG A 107 4.524 -16.312 -7.786 1.00 0.00 N ATOM 1749 CA ARG A 107 5.246 -17.452 -7.248 1.00 0.00 C ATOM 1750 C ARG A 107 6.008 -18.145 -8.369 1.00 0.00 C ATOM 1751 O ARG A 107 6.930 -18.921 -8.126 1.00 0.00 O ATOM 1752 CB ARG A 107 4.304 -18.431 -6.543 1.00 0.00 C ATOM 1753 CG ARG A 107 5.006 -19.260 -5.480 1.00 0.00 C ATOM 1754 CD ARG A 107 4.040 -20.139 -4.704 1.00 0.00 C ATOM 1755 NE ARG A 107 4.681 -20.742 -3.536 1.00 0.00 N ATOM 1756 CZ ARG A 107 4.616 -22.035 -3.227 1.00 0.00 C ATOM 1757 NH1 ARG A 107 3.949 -22.880 -4.004 1.00 0.00 N ATOM 1758 NH2 ARG A 107 5.221 -22.481 -2.135 1.00 0.00 N ATOM 0 H ARG A 107 3.542 -16.488 -7.997 1.00 0.00 H new ATOM 0 HA ARG A 107 5.954 -17.093 -6.501 1.00 0.00 H new ATOM 0 HB2 ARG A 107 3.487 -17.875 -6.083 1.00 0.00 H new ATOM 0 HB3 ARG A 107 3.860 -19.097 -7.282 1.00 0.00 H new ATOM 0 HG2 ARG A 107 5.764 -19.885 -5.952 1.00 0.00 H new ATOM 0 HG3 ARG A 107 5.525 -18.596 -4.789 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.184 -19.545 -4.384 1.00 0.00 H new ATOM 0 HD3 ARG A 107 3.658 -20.924 -5.356 1.00 0.00 H new ATOM 0 HE ARG A 107 5.213 -20.131 -2.917 1.00 0.00 H new ATOM 0 HH11 ARG A 107 3.482 -22.540 -4.844 1.00 0.00 H new ATOM 0 HH12 ARG A 107 3.904 -23.869 -3.761 1.00 0.00 H new ATOM 0 HH21 ARG A 107 5.734 -21.834 -1.536 1.00 0.00 H new ATOM 0 HH22 ARG A 107 5.174 -23.471 -1.894 1.00 0.00 H new ATOM 1772 N HIS A 108 5.604 -17.863 -9.602 1.00 0.00 N ATOM 1773 CA HIS A 108 6.384 -18.252 -10.767 1.00 0.00 C ATOM 1774 C HIS A 108 6.978 -16.995 -11.402 1.00 0.00 C ATOM 1775 O HIS A 108 6.318 -16.296 -12.170 1.00 0.00 O ATOM 1776 CB HIS A 108 5.556 -19.067 -11.785 1.00 0.00 C ATOM 1777 CG HIS A 108 4.274 -18.428 -12.245 1.00 0.00 C ATOM 1778 ND1 HIS A 108 4.148 -17.745 -13.439 1.00 0.00 N ATOM 1779 CD2 HIS A 108 3.047 -18.405 -11.676 1.00 0.00 C ATOM 1780 CE1 HIS A 108 2.902 -17.333 -13.578 1.00 0.00 C ATOM 1781 NE2 HIS A 108 2.215 -17.720 -12.522 1.00 0.00 N ATOM 0 H HIS A 108 4.740 -17.366 -9.819 1.00 0.00 H new ATOM 0 HA HIS A 108 7.188 -18.913 -10.445 1.00 0.00 H new ATOM 0 HB2 HIS A 108 6.178 -19.261 -12.659 1.00 0.00 H new ATOM 0 HB3 HIS A 108 5.319 -20.034 -11.342 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.773 -18.846 -10.729 1.00 0.00 H new ATOM 0 HE1 HIS A 108 2.511 -16.774 -14.415 1.00 0.00 H new ATOM 0 HE2 HIS A 108 1.224 -17.539 -12.361 1.00 0.00 H new ATOM 1790 N PRO A 109 8.225 -16.674 -11.041 1.00 0.00 N ATOM 1791 CA PRO A 109 8.877 -15.432 -11.426 1.00 0.00 C ATOM 1792 C PRO A 109 9.585 -15.525 -12.768 1.00 0.00 C ATOM 1793 O PRO A 109 9.753 -16.610 -13.334 1.00 0.00 O ATOM 1794 CB PRO A 109 9.895 -15.203 -10.303 1.00 0.00 C ATOM 1795 CG PRO A 109 9.972 -16.486 -9.526 1.00 0.00 C ATOM 1796 CD PRO A 109 9.118 -17.502 -10.237 1.00 0.00 C ATOM 0 HA PRO A 109 8.157 -14.623 -11.547 1.00 0.00 H new ATOM 0 HB2 PRO A 109 10.870 -14.939 -10.712 1.00 0.00 H new ATOM 0 HB3 PRO A 109 9.585 -14.379 -9.661 1.00 0.00 H new ATOM 0 HG2 PRO A 109 11.003 -16.832 -9.460 1.00 0.00 H new ATOM 0 HG3 PRO A 109 9.620 -16.337 -8.505 1.00 0.00 H new ATOM 0 HD2 PRO A 109 9.717 -18.170 -10.857 1.00 0.00 H new ATOM 0 HD3 PRO A 109 8.566 -18.127 -9.535 1.00 0.00 H new ATOM 1804 N LEU A 110 10.008 -14.380 -13.272 1.00 0.00 N ATOM 1805 CA LEU A 110 10.698 -14.319 -14.545 1.00 0.00 C ATOM 1806 C LEU A 110 12.141 -13.895 -14.326 1.00 0.00 C ATOM 1807 O LEU A 110 12.428 -13.070 -13.457 1.00 0.00 O ATOM 1808 CB LEU A 110 10.005 -13.338 -15.505 1.00 0.00 C ATOM 1809 CG LEU A 110 8.532 -13.631 -15.829 1.00 0.00 C ATOM 1810 CD1 LEU A 110 8.309 -15.117 -16.051 1.00 0.00 C ATOM 1811 CD2 LEU A 110 7.614 -13.105 -14.734 1.00 0.00 C ATOM 0 H LEU A 110 9.884 -13.476 -12.816 1.00 0.00 H new ATOM 0 HA LEU A 110 10.672 -15.311 -14.996 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.069 -12.337 -15.077 1.00 0.00 H new ATOM 0 HB3 LEU A 110 10.565 -13.321 -16.440 1.00 0.00 H new ATOM 0 HG LEU A 110 8.285 -13.109 -16.754 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.258 -15.297 -16.279 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.924 -15.457 -16.884 1.00 0.00 H new ATOM 0 HD13 LEU A 110 8.584 -15.665 -15.150 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.578 -13.327 -14.990 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.864 -13.585 -13.788 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.742 -12.027 -14.639 1.00 0.00 H new ATOM 1823 N GLU A 111 13.043 -14.462 -15.103 1.00 0.00 N ATOM 1824 CA GLU A 111 14.456 -14.142 -14.989 1.00 0.00 C ATOM 1825 C GLU A 111 14.802 -12.984 -15.917 1.00 0.00 C ATOM 1826 O GLU A 111 14.037 -12.667 -16.833 1.00 0.00 O ATOM 1827 CB GLU A 111 15.330 -15.367 -15.318 1.00 0.00 C ATOM 1828 CG GLU A 111 15.126 -15.943 -16.718 1.00 0.00 C ATOM 1829 CD GLU A 111 13.837 -16.728 -16.855 1.00 0.00 C ATOM 1830 OE1 GLU A 111 13.847 -17.947 -16.591 1.00 0.00 O ATOM 1831 OE2 GLU A 111 12.802 -16.130 -17.213 1.00 0.00 O ATOM 0 H GLU A 111 12.823 -15.150 -15.824 1.00 0.00 H new ATOM 0 HA GLU A 111 14.659 -13.850 -13.959 1.00 0.00 H new ATOM 0 HB2 GLU A 111 16.378 -15.089 -15.204 1.00 0.00 H new ATOM 0 HB3 GLU A 111 15.126 -16.148 -14.586 1.00 0.00 H new ATOM 0 HG2 GLU A 111 15.128 -15.129 -17.443 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.967 -16.591 -16.964 1.00 0.00 H new ATOM 1838 N HIS A 112 15.939 -12.346 -15.679 1.00 0.00 N ATOM 1839 CA HIS A 112 16.382 -11.278 -16.560 1.00 0.00 C ATOM 1840 C HIS A 112 16.980 -11.880 -17.821 1.00 0.00 C ATOM 1841 O HIS A 112 17.868 -12.727 -17.754 1.00 0.00 O ATOM 1842 CB HIS A 112 17.377 -10.323 -15.862 1.00 0.00 C ATOM 1843 CG HIS A 112 18.599 -10.966 -15.258 1.00 0.00 C ATOM 1844 ND1 HIS A 112 18.835 -10.989 -13.900 1.00 0.00 N ATOM 1845 CD2 HIS A 112 19.669 -11.575 -15.828 1.00 0.00 C ATOM 1846 CE1 HIS A 112 19.990 -11.581 -13.664 1.00 0.00 C ATOM 1847 NE2 HIS A 112 20.515 -11.947 -14.816 1.00 0.00 N ATOM 0 H HIS A 112 16.562 -12.545 -14.896 1.00 0.00 H new ATOM 0 HA HIS A 112 15.517 -10.672 -16.829 1.00 0.00 H new ATOM 0 HB2 HIS A 112 17.704 -9.578 -16.587 1.00 0.00 H new ATOM 0 HB3 HIS A 112 16.845 -9.789 -15.074 1.00 0.00 H new ATOM 0 HD2 HIS A 112 19.825 -11.737 -16.884 1.00 0.00 H new ATOM 0 HE1 HIS A 112 20.431 -11.739 -12.691 1.00 0.00 H new ATOM 0 HE2 HIS A 112 21.406 -12.429 -14.935 1.00 0.00 H new ATOM 1856 N HIS A 113 16.466 -11.480 -18.968 1.00 0.00 N ATOM 1857 CA HIS A 113 16.949 -12.010 -20.229 1.00 0.00 C ATOM 1858 C HIS A 113 18.173 -11.238 -20.692 1.00 0.00 C ATOM 1859 O HIS A 113 18.182 -10.009 -20.708 1.00 0.00 O ATOM 1860 CB HIS A 113 15.850 -11.992 -21.290 1.00 0.00 C ATOM 1861 CG HIS A 113 14.956 -13.192 -21.229 1.00 0.00 C ATOM 1862 ND1 HIS A 113 13.635 -13.142 -20.840 1.00 0.00 N ATOM 1863 CD2 HIS A 113 15.210 -14.487 -21.521 1.00 0.00 C ATOM 1864 CE1 HIS A 113 13.120 -14.357 -20.894 1.00 0.00 C ATOM 1865 NE2 HIS A 113 14.056 -15.189 -21.305 1.00 0.00 N ATOM 0 H HIS A 113 15.717 -10.793 -19.053 1.00 0.00 H new ATOM 0 HA HIS A 113 17.239 -13.050 -20.076 1.00 0.00 H new ATOM 0 HB2 HIS A 113 15.249 -11.091 -21.167 1.00 0.00 H new ATOM 0 HB3 HIS A 113 16.308 -11.937 -22.278 1.00 0.00 H new ATOM 0 HD2 HIS A 113 16.151 -14.893 -21.862 1.00 0.00 H new ATOM 0 HE1 HIS A 113 12.104 -14.624 -20.644 1.00 0.00 H new ATOM 0 HE2 HIS A 113 13.939 -16.193 -21.440 1.00 0.00 H new ATOM 1874 N HIS A 114 19.204 -11.978 -21.066 1.00 0.00 N ATOM 1875 CA HIS A 114 20.503 -11.403 -21.378 1.00 0.00 C ATOM 1876 C HIS A 114 20.767 -11.471 -22.883 1.00 0.00 C ATOM 1877 O HIS A 114 21.844 -11.110 -23.358 1.00 0.00 O ATOM 1878 CB HIS A 114 21.572 -12.163 -20.581 1.00 0.00 C ATOM 1879 CG HIS A 114 22.960 -11.623 -20.704 1.00 0.00 C ATOM 1880 ND1 HIS A 114 24.016 -12.387 -21.129 1.00 0.00 N ATOM 1881 CD2 HIS A 114 23.469 -10.401 -20.428 1.00 0.00 C ATOM 1882 CE1 HIS A 114 25.115 -11.665 -21.105 1.00 0.00 C ATOM 1883 NE2 HIS A 114 24.814 -10.452 -20.684 1.00 0.00 N ATOM 0 H HIS A 114 19.165 -12.993 -21.162 1.00 0.00 H new ATOM 0 HA HIS A 114 20.530 -10.350 -21.096 1.00 0.00 H new ATOM 0 HB2 HIS A 114 21.289 -12.158 -19.528 1.00 0.00 H new ATOM 0 HB3 HIS A 114 21.574 -13.203 -20.906 1.00 0.00 H new ATOM 0 HD2 HIS A 114 22.917 -9.544 -20.072 1.00 0.00 H new ATOM 0 HE1 HIS A 114 26.100 -12.008 -21.384 1.00 0.00 H new ATOM 0 HE2 HIS A 114 25.472 -9.681 -20.568 1.00 0.00 H new ATOM 1892 N HIS A 115 19.749 -11.920 -23.618 1.00 0.00 N ATOM 1893 CA HIS A 115 19.811 -12.058 -25.076 1.00 0.00 C ATOM 1894 C HIS A 115 20.746 -13.191 -25.482 1.00 0.00 C ATOM 1895 O HIS A 115 20.301 -14.310 -25.730 1.00 0.00 O ATOM 1896 CB HIS A 115 20.233 -10.750 -25.760 1.00 0.00 C ATOM 1897 CG HIS A 115 19.202 -9.663 -25.696 1.00 0.00 C ATOM 1898 ND1 HIS A 115 18.420 -9.307 -26.772 1.00 0.00 N ATOM 1899 CD2 HIS A 115 18.838 -8.840 -24.683 1.00 0.00 C ATOM 1900 CE1 HIS A 115 17.621 -8.317 -26.427 1.00 0.00 C ATOM 1901 NE2 HIS A 115 17.854 -8.015 -25.165 1.00 0.00 N ATOM 0 H HIS A 115 18.853 -12.200 -23.218 1.00 0.00 H new ATOM 0 HA HIS A 115 18.803 -12.300 -25.413 1.00 0.00 H new ATOM 0 HB2 HIS A 115 21.152 -10.391 -25.297 1.00 0.00 H new ATOM 0 HB3 HIS A 115 20.462 -10.957 -26.805 1.00 0.00 H new ATOM 0 HD2 HIS A 115 19.246 -8.835 -23.683 1.00 0.00 H new ATOM 0 HE1 HIS A 115 16.898 -7.835 -27.069 1.00 0.00 H new ATOM 0 HE2 HIS A 115 17.379 -7.286 -24.633 1.00 0.00 H new ATOM 1910 N HIS A 116 22.042 -12.907 -25.527 1.00 0.00 N ATOM 1911 CA HIS A 116 23.021 -13.895 -25.958 1.00 0.00 C ATOM 1912 C HIS A 116 24.428 -13.431 -25.597 1.00 0.00 C ATOM 1913 O HIS A 116 25.221 -14.194 -25.055 1.00 0.00 O ATOM 1914 CB HIS A 116 22.912 -14.121 -27.469 1.00 0.00 C ATOM 1915 CG HIS A 116 23.338 -15.487 -27.913 1.00 0.00 C ATOM 1916 ND1 HIS A 116 23.330 -15.885 -29.232 1.00 0.00 N ATOM 1917 CD2 HIS A 116 23.757 -16.560 -27.204 1.00 0.00 C ATOM 1918 CE1 HIS A 116 23.719 -17.143 -29.312 1.00 0.00 C ATOM 1919 NE2 HIS A 116 23.986 -17.576 -28.096 1.00 0.00 N ATOM 0 H HIS A 116 22.438 -12.003 -25.271 1.00 0.00 H new ATOM 0 HA HIS A 116 22.819 -14.836 -25.447 1.00 0.00 H new ATOM 0 HB2 HIS A 116 21.880 -13.955 -27.777 1.00 0.00 H new ATOM 0 HB3 HIS A 116 23.521 -13.377 -27.982 1.00 0.00 H new ATOM 0 HD2 HIS A 116 23.887 -16.608 -26.133 1.00 0.00 H new ATOM 0 HE1 HIS A 116 23.804 -17.721 -30.221 1.00 0.00 H new ATOM 0 HE2 HIS A 116 24.310 -18.513 -27.858 1.00 0.00 H new ATOM 1928 N HIS A 117 24.732 -12.179 -25.911 1.00 0.00 N ATOM 1929 CA HIS A 117 26.027 -11.597 -25.574 1.00 0.00 C ATOM 1930 C HIS A 117 25.897 -10.652 -24.397 1.00 0.00 C ATOM 1931 O HIS A 117 25.063 -9.725 -24.474 1.00 0.00 O ATOM 1932 CB HIS A 117 26.637 -10.852 -26.762 1.00 0.00 C ATOM 1933 CG HIS A 117 27.176 -11.754 -27.820 1.00 0.00 C ATOM 1934 ND1 HIS A 117 28.467 -12.228 -27.818 1.00 0.00 N ATOM 1935 CD2 HIS A 117 26.586 -12.278 -28.914 1.00 0.00 C ATOM 1936 CE1 HIS A 117 28.648 -13.002 -28.869 1.00 0.00 C ATOM 1937 NE2 HIS A 117 27.521 -13.053 -29.552 1.00 0.00 N ATOM 1938 OXT HIS A 117 26.641 -10.822 -23.413 1.00 0.00 O ATOM 0 H HIS A 117 24.100 -11.545 -26.399 1.00 0.00 H new ATOM 0 HA HIS A 117 26.691 -12.420 -25.307 1.00 0.00 H new ATOM 0 HB2 HIS A 117 25.879 -10.203 -27.201 1.00 0.00 H new ATOM 0 HB3 HIS A 117 27.439 -10.207 -26.403 1.00 0.00 H new ATOM 0 HD2 HIS A 117 25.566 -12.117 -29.229 1.00 0.00 H new ATOM 0 HE1 HIS A 117 29.566 -13.510 -29.128 1.00 0.00 H new ATOM 0 HE2 HIS A 117 27.370 -13.581 -30.412 1.00 0.00 H new TER 1947 HIS A 117