USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1053 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 77 SER OG : rot 153:sc= 0.138 USER MOD Set 1.2: A 110 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 34 GLN : amide:sc= -0.266 X(o=-0.58,f=-0.93) USER MOD Set 2.2: A 37 GLN : amide:sc= -0.314 X(o=-0.58,f=-0.93) USER MOD Single : A 10 MET CE :methyl -162:sc= -2.88 (180deg=-3.08) USER MOD Single : A 19 CYS SG : rot -16:sc= 0.997 USER MOD Single : A 20 TYR OH : rot 150:sc= -1.2 USER MOD Single : A 21 CYS SG : rot 105:sc= -1.49 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.663 X(o=-0.66,f=-0.17) USER MOD Single : A 31 MET CE :methyl -149:sc= -1.93! (180deg=-4.7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot 143:sc= -3.22 USER MOD Single : A 47 SER OG : rot 15:sc= 1.09 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -9:sc= 0.366! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 140:sc= -1.06 USER MOD Single : A 72 MET CE :methyl -133:sc= -2.3 (180deg=-6.05!) USER MOD Single : A 80 TYR OH : rot 104:sc= 1.21 USER MOD Single : A 82 GLN : amide:sc= -1.52! C(o=-1.5!,f=-1.4!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 CYS SG : rot 170:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= -2.96 F(o=-3.8,f=-3) USER MOD Single : A 90 THR OG1 : rot 98:sc= 1.07 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -51:sc= 1.02 USER MOD Single : A 97 SER OG : rot 180:sc= -0.262 USER MOD Single : A 101 HIS : no HD1:sc= -0.432 X(o=-0.43,f=-0.42) USER MOD Single : A 102 GLN : amide:sc= -0.374 X(o=-0.37,f=-0.76) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -113:sc= -0.802! (180deg=-1.86!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 MET CE :methyl -116:sc= -7.98! (180deg=-11.6!) USER MOD Single : A 114 LYS NZ :NH3+ -140:sc= -0.112 (180deg=-0.318) USER MOD Single : A 115 LYS NZ :NH3+ -147:sc= -3.02 (180deg=-7.14!) USER MOD Single : A 119 SER OG : rot 180:sc= 0.0832 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 CYS SG : rot -86:sc= 0.125 USER MOD Single : A 129 TYR OH : rot 136:sc= -0.393 USER MOD Single : A 130 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 131 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.64) USER MOD Single : A 133 CYS SG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ -178:sc= 0.136 (180deg=0.0988) USER MOD Single : A 136 SER OG : rot -92:sc= 0.315 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 180:sc= -1.06 USER MOD ----------------------------------------------------------------- ATOM 19 N MET A 10 -6.365 -11.260 -12.798 1.00 0.00 N ATOM 20 CA MET A 10 -6.321 -11.559 -11.372 1.00 0.00 C ATOM 21 C MET A 10 -5.689 -12.927 -11.119 1.00 0.00 C ATOM 22 O MET A 10 -6.375 -13.881 -10.755 1.00 0.00 O ATOM 23 CB MET A 10 -7.731 -11.517 -10.777 1.00 0.00 C ATOM 24 CG MET A 10 -7.770 -11.800 -9.284 1.00 0.00 C ATOM 25 SD MET A 10 -9.430 -12.182 -8.692 1.00 0.00 S ATOM 26 CE MET A 10 -9.705 -10.826 -7.553 1.00 0.00 C ATOM 0 HA MET A 10 -5.706 -10.801 -10.887 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.166 -10.535 -10.964 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.356 -12.246 -11.293 1.00 0.00 H new ATOM 0 HG2 MET A 10 -7.107 -12.636 -9.059 1.00 0.00 H new ATOM 0 HG3 MET A 10 -7.386 -10.934 -8.744 1.00 0.00 H new ATOM 0 HE1 MET A 10 -10.524 -11.077 -6.879 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.799 -10.649 -6.973 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.959 -9.926 -8.113 1.00 0.00 H new ATOM 36 N PRO A 11 -4.363 -13.039 -11.311 1.00 0.00 N ATOM 37 CA PRO A 11 -3.640 -14.298 -11.101 1.00 0.00 C ATOM 38 C PRO A 11 -3.863 -14.865 -9.703 1.00 0.00 C ATOM 39 O PRO A 11 -4.737 -14.405 -8.968 1.00 0.00 O ATOM 40 CB PRO A 11 -2.173 -13.907 -11.293 1.00 0.00 C ATOM 41 CG PRO A 11 -2.211 -12.680 -12.138 1.00 0.00 C ATOM 42 CD PRO A 11 -3.466 -11.953 -11.747 1.00 0.00 C ATOM 0 HA PRO A 11 -3.976 -15.079 -11.783 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.687 -13.713 -10.337 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.612 -14.705 -11.780 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.331 -12.060 -11.967 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.221 -12.935 -13.198 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.283 -11.236 -10.947 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.886 -11.396 -12.584 1.00 0.00 H new ATOM 50 N GLU A 12 -3.067 -15.867 -9.342 1.00 0.00 N ATOM 51 CA GLU A 12 -3.179 -16.497 -8.032 1.00 0.00 C ATOM 52 C GLU A 12 -2.203 -15.873 -7.040 1.00 0.00 C ATOM 53 O GLU A 12 -2.504 -15.748 -5.852 1.00 0.00 O ATOM 54 CB GLU A 12 -2.916 -18.001 -8.143 1.00 0.00 C ATOM 55 CG GLU A 12 -3.855 -18.712 -9.102 1.00 0.00 C ATOM 56 CD GLU A 12 -3.527 -20.186 -9.250 1.00 0.00 C ATOM 57 OE1 GLU A 12 -3.341 -20.860 -8.215 1.00 0.00 O ATOM 58 OE2 GLU A 12 -3.456 -20.666 -10.401 1.00 0.00 O ATOM 0 H GLU A 12 -2.338 -16.259 -9.938 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.193 -16.336 -7.666 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.888 -18.159 -8.470 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.009 -18.452 -7.155 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.880 -18.605 -8.748 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.803 -18.232 -10.079 1.00 0.00 H new ATOM 65 N ARG A 13 -1.034 -15.481 -7.534 1.00 0.00 N ATOM 66 CA ARG A 13 -0.013 -14.870 -6.691 1.00 0.00 C ATOM 67 C ARG A 13 0.086 -13.371 -6.959 1.00 0.00 C ATOM 68 O ARG A 13 0.205 -12.943 -8.107 1.00 0.00 O ATOM 69 CB ARG A 13 1.344 -15.532 -6.934 1.00 0.00 C ATOM 70 CG ARG A 13 1.363 -17.018 -6.611 1.00 0.00 C ATOM 71 CD ARG A 13 1.707 -17.270 -5.152 1.00 0.00 C ATOM 72 NE ARG A 13 2.834 -18.187 -5.005 1.00 0.00 N ATOM 73 CZ ARG A 13 3.554 -18.306 -3.891 1.00 0.00 C ATOM 74 NH1 ARG A 13 3.270 -17.564 -2.827 1.00 0.00 N ATOM 75 NH2 ARG A 13 4.562 -19.165 -3.841 1.00 0.00 N ATOM 0 H ARG A 13 -0.770 -15.575 -8.515 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.300 -15.019 -5.650 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.626 -15.392 -7.978 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.098 -15.028 -6.330 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.389 -17.452 -6.836 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.090 -17.520 -7.249 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.945 -16.323 -4.667 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.837 -17.681 -4.640 1.00 0.00 H new ATOM 0 HE ARG A 13 3.085 -18.771 -5.803 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.497 -16.899 -2.860 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.825 -17.659 -1.976 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.787 -19.736 -4.656 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.113 -19.256 -2.987 1.00 0.00 H new ATOM 89 N PHE A 14 0.037 -12.579 -5.892 1.00 0.00 N ATOM 90 CA PHE A 14 0.123 -11.129 -6.015 1.00 0.00 C ATOM 91 C PHE A 14 1.303 -10.587 -5.216 1.00 0.00 C ATOM 92 O PHE A 14 1.756 -11.213 -4.259 1.00 0.00 O ATOM 93 CB PHE A 14 -1.178 -10.481 -5.541 1.00 0.00 C ATOM 94 CG PHE A 14 -2.359 -10.820 -6.404 1.00 0.00 C ATOM 95 CD1 PHE A 14 -2.502 -10.252 -7.659 1.00 0.00 C ATOM 96 CD2 PHE A 14 -3.325 -11.711 -5.962 1.00 0.00 C ATOM 97 CE1 PHE A 14 -3.586 -10.564 -8.457 1.00 0.00 C ATOM 98 CE2 PHE A 14 -4.410 -12.026 -6.755 1.00 0.00 C ATOM 99 CZ PHE A 14 -4.541 -11.451 -8.004 1.00 0.00 C ATOM 0 H PHE A 14 -0.062 -12.917 -4.935 1.00 0.00 H new ATOM 0 HA PHE A 14 0.279 -10.883 -7.065 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.382 -10.797 -4.518 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.050 -9.399 -5.521 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.757 -9.557 -8.018 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.227 -12.164 -4.986 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.686 -10.114 -9.434 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.156 -12.721 -6.399 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.390 -11.695 -8.625 1.00 0.00 H new ATOM 109 N ASP A 15 1.803 -9.423 -5.620 1.00 0.00 N ATOM 110 CA ASP A 15 2.935 -8.806 -4.945 1.00 0.00 C ATOM 111 C ASP A 15 2.488 -8.000 -3.731 1.00 0.00 C ATOM 112 O ASP A 15 2.746 -8.390 -2.592 1.00 0.00 O ATOM 113 CB ASP A 15 3.707 -7.911 -5.915 1.00 0.00 C ATOM 114 CG ASP A 15 4.439 -8.705 -6.977 1.00 0.00 C ATOM 115 OD1 ASP A 15 3.888 -9.725 -7.442 1.00 0.00 O ATOM 116 OD2 ASP A 15 5.566 -8.309 -7.342 1.00 0.00 O ATOM 0 H ASP A 15 1.441 -8.890 -6.411 1.00 0.00 H new ATOM 0 HA ASP A 15 3.590 -9.604 -4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.015 -7.219 -6.395 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.424 -7.309 -5.357 1.00 0.00 H new ATOM 121 N ALA A 16 1.829 -6.868 -3.974 1.00 0.00 N ATOM 122 CA ALA A 16 1.370 -6.012 -2.882 1.00 0.00 C ATOM 123 C ALA A 16 -0.073 -5.563 -3.066 1.00 0.00 C ATOM 124 O ALA A 16 -0.699 -5.822 -4.096 1.00 0.00 O ATOM 125 CB ALA A 16 2.274 -4.793 -2.756 1.00 0.00 C ATOM 0 H ALA A 16 1.603 -6.525 -4.908 1.00 0.00 H new ATOM 0 HA ALA A 16 1.417 -6.605 -1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.923 -4.162 -1.939 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.295 -5.116 -2.551 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.253 -4.226 -3.687 1.00 0.00 H new ATOM 131 N PHE A 17 -0.584 -4.866 -2.056 1.00 0.00 N ATOM 132 CA PHE A 17 -1.945 -4.348 -2.081 1.00 0.00 C ATOM 133 C PHE A 17 -1.935 -2.840 -1.844 1.00 0.00 C ATOM 134 O PHE A 17 -1.013 -2.310 -1.222 1.00 0.00 O ATOM 135 CB PHE A 17 -2.797 -5.049 -1.021 1.00 0.00 C ATOM 136 CG PHE A 17 -4.220 -4.568 -0.967 1.00 0.00 C ATOM 137 CD1 PHE A 17 -5.085 -4.797 -2.025 1.00 0.00 C ATOM 138 CD2 PHE A 17 -4.693 -3.889 0.145 1.00 0.00 C ATOM 139 CE1 PHE A 17 -6.394 -4.359 -1.975 1.00 0.00 C ATOM 140 CE2 PHE A 17 -6.001 -3.448 0.201 1.00 0.00 C ATOM 141 CZ PHE A 17 -6.853 -3.684 -0.861 1.00 0.00 C ATOM 0 H PHE A 17 -0.069 -4.646 -1.203 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.380 -4.545 -3.061 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.794 -6.121 -1.217 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.337 -4.902 -0.044 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.732 -5.324 -2.899 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.031 -3.702 0.978 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.058 -4.544 -2.806 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.357 -2.920 1.073 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.876 -3.341 -0.820 1.00 0.00 H new ATOM 151 N ILE A 18 -2.950 -2.149 -2.353 1.00 0.00 N ATOM 152 CA ILE A 18 -3.033 -0.700 -2.201 1.00 0.00 C ATOM 153 C ILE A 18 -4.264 -0.279 -1.401 1.00 0.00 C ATOM 154 O ILE A 18 -5.395 -0.405 -1.871 1.00 0.00 O ATOM 155 CB ILE A 18 -3.067 0.006 -3.574 1.00 0.00 C ATOM 156 CG1 ILE A 18 -1.807 -0.324 -4.377 1.00 0.00 C ATOM 157 CG2 ILE A 18 -3.213 1.514 -3.401 1.00 0.00 C ATOM 158 CD1 ILE A 18 -0.545 0.288 -3.806 1.00 0.00 C ATOM 0 H ILE A 18 -3.723 -2.566 -2.872 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.138 -0.398 -1.656 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.933 -0.359 -4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.688 -1.407 -4.421 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.938 0.024 -5.402 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.235 1.992 -4.380 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.140 1.731 -2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.369 1.898 -2.829 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.307 0.011 -4.427 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.643 1.373 -3.787 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.389 -0.080 -2.792 1.00 0.00 H new ATOM 170 N CYS A 19 -4.033 0.247 -0.201 1.00 0.00 N ATOM 171 CA CYS A 19 -5.122 0.714 0.649 1.00 0.00 C ATOM 172 C CYS A 19 -5.246 2.233 0.555 1.00 0.00 C ATOM 173 O CYS A 19 -4.522 2.967 1.230 1.00 0.00 O ATOM 174 CB CYS A 19 -4.889 0.296 2.103 1.00 0.00 C ATOM 175 SG CYS A 19 -4.493 -1.453 2.315 1.00 0.00 S ATOM 0 H CYS A 19 -3.103 0.360 0.203 1.00 0.00 H new ATOM 0 HA CYS A 19 -6.050 0.259 0.303 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.076 0.894 2.515 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -5.782 0.528 2.684 1.00 0.00 H new ATOM 0 HG CYS A 19 -4.815 -2.105 1.237 1.00 0.00 H new ATOM 181 N TYR A 20 -6.157 2.701 -0.297 1.00 0.00 N ATOM 182 CA TYR A 20 -6.359 4.133 -0.491 1.00 0.00 C ATOM 183 C TYR A 20 -7.794 4.551 -0.185 1.00 0.00 C ATOM 184 O TYR A 20 -8.657 3.712 0.072 1.00 0.00 O ATOM 185 CB TYR A 20 -6.003 4.529 -1.926 1.00 0.00 C ATOM 186 CG TYR A 20 -6.633 3.652 -2.990 1.00 0.00 C ATOM 187 CD1 TYR A 20 -7.998 3.379 -2.987 1.00 0.00 C ATOM 188 CD2 TYR A 20 -5.861 3.107 -4.008 1.00 0.00 C ATOM 189 CE1 TYR A 20 -8.569 2.587 -3.965 1.00 0.00 C ATOM 190 CE2 TYR A 20 -6.425 2.316 -4.989 1.00 0.00 C ATOM 191 CZ TYR A 20 -7.780 2.058 -4.963 1.00 0.00 C ATOM 192 OH TYR A 20 -8.346 1.273 -5.941 1.00 0.00 O ATOM 0 H TYR A 20 -6.765 2.109 -0.863 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.701 4.651 0.207 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.312 5.561 -2.093 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.920 4.498 -2.041 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -8.621 3.793 -2.208 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.800 3.306 -4.033 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -9.630 2.384 -3.947 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.809 1.901 -5.773 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.838 1.371 -6.774 1.00 0.00 H new ATOM 202 N CYS A 21 -8.036 5.858 -0.225 1.00 0.00 N ATOM 203 CA CYS A 21 -9.362 6.409 0.036 1.00 0.00 C ATOM 204 C CYS A 21 -10.014 6.874 -1.268 1.00 0.00 C ATOM 205 O CYS A 21 -9.344 7.433 -2.136 1.00 0.00 O ATOM 206 CB CYS A 21 -9.260 7.583 1.013 1.00 0.00 C ATOM 207 SG CYS A 21 -10.589 7.648 2.239 1.00 0.00 S ATOM 0 H CYS A 21 -7.326 6.559 -0.437 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.981 5.628 0.478 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.304 7.526 1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.259 8.514 0.446 1.00 0.00 H new ATOM 0 HG CYS A 21 -10.135 7.256 3.392 1.00 0.00 H new ATOM 213 N PRO A 22 -11.331 6.647 -1.428 1.00 0.00 N ATOM 214 CA PRO A 22 -12.059 7.049 -2.639 1.00 0.00 C ATOM 215 C PRO A 22 -12.174 8.567 -2.794 1.00 0.00 C ATOM 216 O PRO A 22 -12.662 9.055 -3.813 1.00 0.00 O ATOM 217 CB PRO A 22 -13.446 6.429 -2.448 1.00 0.00 C ATOM 218 CG PRO A 22 -13.593 6.270 -0.975 1.00 0.00 C ATOM 219 CD PRO A 22 -12.213 5.982 -0.452 1.00 0.00 C ATOM 0 HA PRO A 22 -11.543 6.716 -3.540 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -14.226 7.072 -2.856 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.524 5.469 -2.959 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.001 7.174 -0.523 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.279 5.457 -0.736 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.073 6.381 0.553 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.019 4.911 -0.400 1.00 0.00 H new ATOM 227 N SER A 23 -11.722 9.310 -1.786 1.00 0.00 N ATOM 228 CA SER A 23 -11.779 10.766 -1.827 1.00 0.00 C ATOM 229 C SER A 23 -10.649 11.321 -2.684 1.00 0.00 C ATOM 230 O SER A 23 -10.844 12.252 -3.466 1.00 0.00 O ATOM 231 CB SER A 23 -11.696 11.343 -0.413 1.00 0.00 C ATOM 232 OG SER A 23 -12.989 11.559 0.126 1.00 0.00 O ATOM 0 H SER A 23 -11.313 8.927 -0.933 1.00 0.00 H new ATOM 0 HA SER A 23 -12.730 11.059 -2.271 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.140 10.660 0.230 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.145 12.283 -0.432 1.00 0.00 H new ATOM 0 HG SER A 23 -12.909 11.926 1.031 1.00 0.00 H new ATOM 238 N ASP A 24 -9.466 10.735 -2.534 1.00 0.00 N ATOM 239 CA ASP A 24 -8.300 11.160 -3.296 1.00 0.00 C ATOM 240 C ASP A 24 -7.577 9.952 -3.881 1.00 0.00 C ATOM 241 O ASP A 24 -6.347 9.890 -3.889 1.00 0.00 O ATOM 242 CB ASP A 24 -7.348 11.964 -2.408 1.00 0.00 C ATOM 243 CG ASP A 24 -6.661 13.085 -3.166 1.00 0.00 C ATOM 244 OD1 ASP A 24 -7.346 14.065 -3.523 1.00 0.00 O ATOM 245 OD2 ASP A 24 -5.439 12.980 -3.401 1.00 0.00 O ATOM 0 H ASP A 24 -9.290 9.963 -1.890 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.636 11.796 -4.115 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.904 12.383 -1.569 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.595 11.297 -1.989 1.00 0.00 H new ATOM 250 N ILE A 25 -8.356 8.991 -4.365 1.00 0.00 N ATOM 251 CA ILE A 25 -7.806 7.774 -4.950 1.00 0.00 C ATOM 252 C ILE A 25 -7.057 8.068 -6.248 1.00 0.00 C ATOM 253 O ILE A 25 -6.002 7.494 -6.511 1.00 0.00 O ATOM 254 CB ILE A 25 -8.918 6.737 -5.221 1.00 0.00 C ATOM 255 CG1 ILE A 25 -8.313 5.347 -5.436 1.00 0.00 C ATOM 256 CG2 ILE A 25 -9.772 7.154 -6.412 1.00 0.00 C ATOM 257 CD1 ILE A 25 -7.564 5.194 -6.742 1.00 0.00 C ATOM 0 H ILE A 25 -9.375 9.032 -4.363 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.103 7.362 -4.227 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.567 6.693 -4.347 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.634 5.127 -4.612 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.111 4.605 -5.398 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.548 6.408 -6.583 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.236 8.119 -6.207 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.144 7.234 -7.300 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.167 4.182 -6.817 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.242 5.380 -7.575 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.743 5.910 -6.776 1.00 0.00 H new ATOM 269 N GLN A 26 -7.617 8.966 -7.057 1.00 0.00 N ATOM 270 CA GLN A 26 -7.010 9.339 -8.335 1.00 0.00 C ATOM 271 C GLN A 26 -5.502 9.539 -8.199 1.00 0.00 C ATOM 272 O GLN A 26 -4.726 9.111 -9.056 1.00 0.00 O ATOM 273 CB GLN A 26 -7.657 10.615 -8.876 1.00 0.00 C ATOM 274 CG GLN A 26 -9.082 10.415 -9.368 1.00 0.00 C ATOM 275 CD GLN A 26 -9.516 11.488 -10.346 1.00 0.00 C ATOM 276 OE1 GLN A 26 -9.503 12.677 -10.027 1.00 0.00 O ATOM 277 NE2 GLN A 26 -9.904 11.072 -11.546 1.00 0.00 N ATOM 0 H GLN A 26 -8.491 9.450 -6.850 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.182 8.522 -9.035 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.655 11.373 -8.093 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.050 11.001 -9.695 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.164 9.439 -9.845 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.760 10.411 -8.515 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.899 10.076 -11.767 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.207 11.748 -12.247 1.00 0.00 H new ATOM 286 N PHE A 27 -5.096 10.186 -7.116 1.00 0.00 N ATOM 287 CA PHE A 27 -3.684 10.439 -6.864 1.00 0.00 C ATOM 288 C PHE A 27 -2.936 9.132 -6.627 1.00 0.00 C ATOM 289 O PHE A 27 -1.902 8.872 -7.245 1.00 0.00 O ATOM 290 CB PHE A 27 -3.514 11.364 -5.657 1.00 0.00 C ATOM 291 CG PHE A 27 -2.184 12.062 -5.617 1.00 0.00 C ATOM 292 CD1 PHE A 27 -1.018 11.347 -5.392 1.00 0.00 C ATOM 293 CD2 PHE A 27 -2.099 13.433 -5.805 1.00 0.00 C ATOM 294 CE1 PHE A 27 0.207 11.985 -5.356 1.00 0.00 C ATOM 295 CE2 PHE A 27 -0.877 14.076 -5.769 1.00 0.00 C ATOM 296 CZ PHE A 27 0.278 13.352 -5.544 1.00 0.00 C ATOM 0 H PHE A 27 -5.724 10.546 -6.397 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.264 10.926 -7.744 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.307 12.112 -5.668 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.637 10.782 -4.744 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.068 10.278 -5.243 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.998 14.005 -5.982 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.108 11.416 -5.181 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.824 15.145 -5.917 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.234 13.853 -5.515 1.00 0.00 H new ATOM 306 N VAL A 28 -3.469 8.310 -5.728 1.00 0.00 N ATOM 307 CA VAL A 28 -2.853 7.029 -5.407 1.00 0.00 C ATOM 308 C VAL A 28 -2.711 6.159 -6.650 1.00 0.00 C ATOM 309 O VAL A 28 -1.604 5.761 -7.014 1.00 0.00 O ATOM 310 CB VAL A 28 -3.665 6.260 -4.349 1.00 0.00 C ATOM 311 CG1 VAL A 28 -2.874 5.064 -3.839 1.00 0.00 C ATOM 312 CG2 VAL A 28 -4.055 7.179 -3.200 1.00 0.00 C ATOM 0 H VAL A 28 -4.325 8.509 -5.210 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.864 7.250 -5.005 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.580 5.893 -4.815 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.462 4.531 -3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.650 4.395 -4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.943 5.409 -3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.628 6.617 -2.463 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.155 7.579 -2.732 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.661 8.001 -3.581 1.00 0.00 H new ATOM 322 N GLN A 29 -3.835 5.867 -7.303 1.00 0.00 N ATOM 323 CA GLN A 29 -3.828 5.043 -8.502 1.00 0.00 C ATOM 324 C GLN A 29 -2.781 5.535 -9.498 1.00 0.00 C ATOM 325 O GLN A 29 -2.154 4.738 -10.195 1.00 0.00 O ATOM 326 CB GLN A 29 -5.213 5.044 -9.148 1.00 0.00 C ATOM 327 CG GLN A 29 -5.718 6.427 -9.520 1.00 0.00 C ATOM 328 CD GLN A 29 -6.706 6.397 -10.672 1.00 0.00 C ATOM 329 OE1 GLN A 29 -6.332 6.587 -11.829 1.00 0.00 O ATOM 330 NE2 GLN A 29 -7.974 6.157 -10.358 1.00 0.00 N ATOM 0 H GLN A 29 -4.760 6.191 -7.019 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.570 4.024 -8.214 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.185 4.425 -10.045 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.923 4.581 -8.463 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.193 6.882 -8.651 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.871 7.059 -9.789 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.238 6.005 -9.385 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.683 6.124 -11.090 1.00 0.00 H new ATOM 339 N GLU A 30 -2.592 6.849 -9.553 1.00 0.00 N ATOM 340 CA GLU A 30 -1.611 7.439 -10.457 1.00 0.00 C ATOM 341 C GLU A 30 -0.214 6.919 -10.140 1.00 0.00 C ATOM 342 O GLU A 30 0.524 6.497 -11.032 1.00 0.00 O ATOM 343 CB GLU A 30 -1.639 8.966 -10.351 1.00 0.00 C ATOM 344 CG GLU A 30 -1.272 9.674 -11.646 1.00 0.00 C ATOM 345 CD GLU A 30 -1.124 11.173 -11.470 1.00 0.00 C ATOM 346 OE1 GLU A 30 -2.155 11.857 -11.311 1.00 0.00 O ATOM 347 OE2 GLU A 30 0.026 11.662 -11.492 1.00 0.00 O ATOM 0 H GLU A 30 -3.103 7.524 -8.984 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.868 7.153 -11.477 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.636 9.282 -10.044 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.950 9.280 -9.567 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.338 9.263 -12.028 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.038 9.474 -12.395 1.00 0.00 H new ATOM 354 N MET A 31 0.141 6.944 -8.859 1.00 0.00 N ATOM 355 CA MET A 31 1.449 6.465 -8.422 1.00 0.00 C ATOM 356 C MET A 31 1.553 4.957 -8.596 1.00 0.00 C ATOM 357 O MET A 31 2.481 4.454 -9.228 1.00 0.00 O ATOM 358 CB MET A 31 1.694 6.826 -6.956 1.00 0.00 C ATOM 359 CG MET A 31 1.265 8.237 -6.582 1.00 0.00 C ATOM 360 SD MET A 31 1.393 8.555 -4.810 1.00 0.00 S ATOM 361 CE MET A 31 0.753 7.023 -4.134 1.00 0.00 C ATOM 0 H MET A 31 -0.456 7.289 -8.107 1.00 0.00 H new ATOM 0 HA MET A 31 2.206 6.949 -9.040 1.00 0.00 H new ATOM 0 HB2 MET A 31 1.160 6.116 -6.324 1.00 0.00 H new ATOM 0 HB3 MET A 31 2.756 6.711 -6.737 1.00 0.00 H new ATOM 0 HG2 MET A 31 1.882 8.955 -7.122 1.00 0.00 H new ATOM 0 HG3 MET A 31 0.236 8.397 -6.903 1.00 0.00 H new ATOM 0 HE1 MET A 31 0.260 7.223 -3.182 1.00 0.00 H new ATOM 0 HE2 MET A 31 0.035 6.590 -4.830 1.00 0.00 H new ATOM 0 HE3 MET A 31 1.574 6.323 -3.978 1.00 0.00 H new ATOM 371 N ILE A 32 0.593 4.237 -8.023 1.00 0.00 N ATOM 372 CA ILE A 32 0.571 2.781 -8.104 1.00 0.00 C ATOM 373 C ILE A 32 0.696 2.303 -9.548 1.00 0.00 C ATOM 374 O ILE A 32 1.626 1.573 -9.891 1.00 0.00 O ATOM 375 CB ILE A 32 -0.719 2.199 -7.489 1.00 0.00 C ATOM 376 CG1 ILE A 32 -0.961 2.770 -6.085 1.00 0.00 C ATOM 377 CG2 ILE A 32 -0.651 0.680 -7.442 1.00 0.00 C ATOM 378 CD1 ILE A 32 0.293 2.885 -5.242 1.00 0.00 C ATOM 0 H ILE A 32 -0.182 4.640 -7.496 1.00 0.00 H new ATOM 0 HA ILE A 32 1.428 2.424 -7.533 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.557 2.488 -8.123 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.415 3.756 -6.178 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.679 2.136 -5.565 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.570 0.288 -7.005 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.534 0.290 -8.453 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.200 0.373 -6.834 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.038 3.296 -4.265 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.738 1.898 -5.115 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.006 3.543 -5.738 1.00 0.00 H new ATOM 390 N ARG A 33 -0.245 2.716 -10.391 1.00 0.00 N ATOM 391 CA ARG A 33 -0.237 2.327 -11.794 1.00 0.00 C ATOM 392 C ARG A 33 1.087 2.704 -12.456 1.00 0.00 C ATOM 393 O ARG A 33 1.560 2.011 -13.357 1.00 0.00 O ATOM 394 CB ARG A 33 -1.407 2.986 -12.529 1.00 0.00 C ATOM 395 CG ARG A 33 -1.232 4.479 -12.755 1.00 0.00 C ATOM 396 CD ARG A 33 -0.463 4.764 -14.035 1.00 0.00 C ATOM 397 NE ARG A 33 -0.822 6.056 -14.614 1.00 0.00 N ATOM 398 CZ ARG A 33 -1.902 6.258 -15.366 1.00 0.00 C ATOM 399 NH1 ARG A 33 -2.733 5.257 -15.631 1.00 0.00 N ATOM 400 NH2 ARG A 33 -2.153 7.466 -15.853 1.00 0.00 N ATOM 0 H ARG A 33 -1.023 3.320 -10.125 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.348 1.244 -11.851 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.539 2.496 -13.494 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.321 2.820 -11.959 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.210 4.958 -12.803 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.704 4.917 -11.908 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.607 4.745 -13.827 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.661 3.974 -14.760 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.209 6.851 -14.431 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.546 4.326 -15.258 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.559 5.419 -16.208 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.519 8.239 -15.651 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.980 7.622 -16.429 1.00 0.00 H new ATOM 414 N GLN A 34 1.684 3.799 -11.993 1.00 0.00 N ATOM 415 CA GLN A 34 2.956 4.259 -12.532 1.00 0.00 C ATOM 416 C GLN A 34 4.098 3.383 -12.029 1.00 0.00 C ATOM 417 O GLN A 34 5.162 3.319 -12.646 1.00 0.00 O ATOM 418 CB GLN A 34 3.205 5.716 -12.137 1.00 0.00 C ATOM 419 CG GLN A 34 2.748 6.718 -13.184 1.00 0.00 C ATOM 420 CD GLN A 34 3.898 7.514 -13.773 1.00 0.00 C ATOM 421 OE1 GLN A 34 3.985 7.692 -14.988 1.00 0.00 O ATOM 422 NE2 GLN A 34 4.787 7.996 -12.914 1.00 0.00 N ATOM 0 H GLN A 34 1.306 4.382 -11.246 1.00 0.00 H new ATOM 0 HA GLN A 34 2.913 4.189 -13.619 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.689 5.922 -11.199 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.270 5.857 -11.952 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.229 6.190 -13.984 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.029 7.404 -12.736 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.676 7.824 -11.915 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.582 8.538 -13.253 1.00 0.00 H new ATOM 431 N LEU A 35 3.872 2.716 -10.902 1.00 0.00 N ATOM 432 CA LEU A 35 4.877 1.851 -10.310 1.00 0.00 C ATOM 433 C LEU A 35 4.879 0.476 -10.971 1.00 0.00 C ATOM 434 O LEU A 35 5.923 -0.166 -11.086 1.00 0.00 O ATOM 435 CB LEU A 35 4.622 1.707 -8.810 1.00 0.00 C ATOM 436 CG LEU A 35 4.998 2.925 -7.964 1.00 0.00 C ATOM 437 CD1 LEU A 35 4.817 2.623 -6.485 1.00 0.00 C ATOM 438 CD2 LEU A 35 6.428 3.352 -8.251 1.00 0.00 C ATOM 0 H LEU A 35 2.996 2.761 -10.381 1.00 0.00 H new ATOM 0 HA LEU A 35 5.854 2.307 -10.470 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.565 1.491 -8.657 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.180 0.845 -8.444 1.00 0.00 H new ATOM 0 HG LEU A 35 4.334 3.748 -8.230 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.089 3.501 -5.899 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.776 2.365 -6.291 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.456 1.786 -6.204 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.678 4.220 -7.640 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.107 2.533 -8.013 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.526 3.610 -9.305 1.00 0.00 H new ATOM 450 N GLU A 36 3.702 0.023 -11.390 1.00 0.00 N ATOM 451 CA GLU A 36 3.567 -1.282 -12.027 1.00 0.00 C ATOM 452 C GLU A 36 4.078 -1.257 -13.463 1.00 0.00 C ATOM 453 O GLU A 36 4.675 -2.226 -13.936 1.00 0.00 O ATOM 454 CB GLU A 36 2.105 -1.733 -12.005 1.00 0.00 C ATOM 455 CG GLU A 36 1.469 -1.665 -10.626 1.00 0.00 C ATOM 456 CD GLU A 36 0.276 -2.592 -10.489 1.00 0.00 C ATOM 457 OE1 GLU A 36 0.486 -3.818 -10.383 1.00 0.00 O ATOM 458 OE2 GLU A 36 -0.868 -2.090 -10.488 1.00 0.00 O ATOM 0 H GLU A 36 2.828 0.540 -11.300 1.00 0.00 H new ATOM 0 HA GLU A 36 4.173 -1.991 -11.463 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.531 -1.111 -12.692 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.043 -2.757 -12.375 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.214 -1.923 -9.873 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.154 -0.641 -10.425 1.00 0.00 H new ATOM 465 N GLN A 37 3.835 -0.152 -14.157 1.00 0.00 N ATOM 466 CA GLN A 37 4.264 -0.009 -15.538 1.00 0.00 C ATOM 467 C GLN A 37 5.785 0.062 -15.644 1.00 0.00 C ATOM 468 O GLN A 37 6.376 -0.463 -16.587 1.00 0.00 O ATOM 469 CB GLN A 37 3.640 1.243 -16.148 1.00 0.00 C ATOM 470 CG GLN A 37 3.958 2.515 -15.380 1.00 0.00 C ATOM 471 CD GLN A 37 3.635 3.770 -16.169 1.00 0.00 C ATOM 472 OE1 GLN A 37 2.825 3.743 -17.096 1.00 0.00 O ATOM 473 NE2 GLN A 37 4.268 4.877 -15.805 1.00 0.00 N ATOM 0 H GLN A 37 3.342 0.659 -13.783 1.00 0.00 H new ATOM 0 HA GLN A 37 3.929 -0.888 -16.089 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.990 1.351 -17.174 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.558 1.116 -16.192 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.395 2.522 -14.447 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.015 2.520 -15.114 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.931 4.854 -15.031 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.091 5.752 -16.299 1.00 0.00 H new ATOM 555 N LEU A 42 6.122 -5.769 -10.763 1.00 0.00 N ATOM 556 CA LEU A 42 5.319 -5.287 -9.646 1.00 0.00 C ATOM 557 C LEU A 42 3.833 -5.509 -9.908 1.00 0.00 C ATOM 558 O LEU A 42 3.264 -4.942 -10.840 1.00 0.00 O ATOM 559 CB LEU A 42 5.588 -3.800 -9.401 1.00 0.00 C ATOM 560 CG LEU A 42 5.089 -3.267 -8.055 1.00 0.00 C ATOM 561 CD1 LEU A 42 6.227 -3.216 -7.048 1.00 0.00 C ATOM 562 CD2 LEU A 42 4.462 -1.889 -8.225 1.00 0.00 C ATOM 0 HA LEU A 42 5.602 -5.852 -8.758 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.662 -3.624 -9.469 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.119 -3.225 -10.199 1.00 0.00 H new ATOM 0 HG LEU A 42 4.325 -3.947 -7.677 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.855 -2.835 -6.097 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.631 -4.218 -6.904 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.013 -2.558 -7.420 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.113 -1.526 -7.258 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.204 -1.198 -8.625 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.619 -1.955 -8.913 1.00 0.00 H new ATOM 574 N LYS A 43 3.210 -6.336 -9.076 1.00 0.00 N ATOM 575 CA LYS A 43 1.790 -6.636 -9.212 1.00 0.00 C ATOM 576 C LYS A 43 1.025 -6.199 -7.967 1.00 0.00 C ATOM 577 O LYS A 43 0.939 -6.937 -6.984 1.00 0.00 O ATOM 578 CB LYS A 43 1.585 -8.130 -9.458 1.00 0.00 C ATOM 579 CG LYS A 43 2.246 -8.630 -10.735 1.00 0.00 C ATOM 580 CD LYS A 43 1.674 -7.943 -11.966 1.00 0.00 C ATOM 581 CE LYS A 43 2.728 -7.115 -12.687 1.00 0.00 C ATOM 582 NZ LYS A 43 3.315 -7.849 -13.843 1.00 0.00 N ATOM 0 H LYS A 43 3.668 -6.812 -8.298 1.00 0.00 H new ATOM 0 HA LYS A 43 1.403 -6.081 -10.067 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.982 -8.688 -8.610 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.516 -8.339 -9.505 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.320 -8.451 -10.684 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.106 -9.708 -10.820 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.271 -8.692 -12.647 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.844 -7.300 -11.672 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.282 -6.184 -13.037 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.520 -6.846 -11.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.028 -7.252 -14.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.763 -8.725 -13.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.564 -8.083 -14.523 1.00 0.00 H new ATOM 596 N LEU A 44 0.473 -4.992 -8.015 1.00 0.00 N ATOM 597 CA LEU A 44 -0.280 -4.454 -6.890 1.00 0.00 C ATOM 598 C LEU A 44 -1.772 -4.723 -7.055 1.00 0.00 C ATOM 599 O LEU A 44 -2.243 -5.012 -8.156 1.00 0.00 O ATOM 600 CB LEU A 44 -0.025 -2.954 -6.752 1.00 0.00 C ATOM 601 CG LEU A 44 1.288 -2.594 -6.056 1.00 0.00 C ATOM 602 CD1 LEU A 44 1.722 -1.186 -6.423 1.00 0.00 C ATOM 603 CD2 LEU A 44 1.144 -2.729 -4.552 1.00 0.00 C ATOM 0 H LEU A 44 0.533 -4.369 -8.820 1.00 0.00 H new ATOM 0 HA LEU A 44 0.058 -4.955 -5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.030 -2.505 -7.745 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.850 -2.508 -6.196 1.00 0.00 H new ATOM 0 HG LEU A 44 2.057 -3.288 -6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.658 -0.950 -5.917 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.866 -1.119 -7.501 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.954 -0.477 -6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.087 -2.469 -4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.360 -2.058 -4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.881 -3.757 -4.303 1.00 0.00 H new ATOM 615 N CYS A 45 -2.509 -4.634 -5.955 1.00 0.00 N ATOM 616 CA CYS A 45 -3.947 -4.879 -5.978 1.00 0.00 C ATOM 617 C CYS A 45 -4.707 -3.776 -5.249 1.00 0.00 C ATOM 618 O CYS A 45 -4.135 -3.049 -4.439 1.00 0.00 O ATOM 619 CB CYS A 45 -4.255 -6.233 -5.340 1.00 0.00 C ATOM 620 SG CYS A 45 -3.625 -7.658 -6.283 1.00 0.00 S ATOM 0 H CYS A 45 -2.136 -4.394 -5.036 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.273 -4.885 -7.018 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.827 -6.256 -4.338 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.335 -6.333 -5.228 1.00 0.00 H new ATOM 0 HG CYS A 45 -3.204 -8.571 -5.459 1.00 0.00 H new ATOM 625 N VAL A 46 -6.000 -3.660 -5.539 1.00 0.00 N ATOM 626 CA VAL A 46 -6.835 -2.646 -4.900 1.00 0.00 C ATOM 627 C VAL A 46 -8.207 -3.210 -4.542 1.00 0.00 C ATOM 628 O VAL A 46 -8.512 -4.365 -4.840 1.00 0.00 O ATOM 629 CB VAL A 46 -7.021 -1.403 -5.795 1.00 0.00 C ATOM 630 CG1 VAL A 46 -5.682 -0.741 -6.086 1.00 0.00 C ATOM 631 CG2 VAL A 46 -7.734 -1.769 -7.089 1.00 0.00 C ATOM 0 H VAL A 46 -6.491 -4.252 -6.209 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.315 -2.346 -3.990 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.643 -0.689 -5.256 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.838 0.133 -6.719 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.217 -0.433 -5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.030 -1.448 -6.599 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.854 -0.877 -7.703 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.145 -2.508 -7.633 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.715 -2.185 -6.859 1.00 0.00 H new ATOM 641 N SER A 47 -9.029 -2.386 -3.901 1.00 0.00 N ATOM 642 CA SER A 47 -10.369 -2.800 -3.500 1.00 0.00 C ATOM 643 C SER A 47 -11.411 -2.313 -4.502 1.00 0.00 C ATOM 644 O SER A 47 -11.775 -1.138 -4.511 1.00 0.00 O ATOM 645 CB SER A 47 -10.695 -2.262 -2.105 1.00 0.00 C ATOM 646 OG SER A 47 -10.842 -0.853 -2.123 1.00 0.00 O ATOM 0 H SER A 47 -8.791 -1.427 -3.648 1.00 0.00 H new ATOM 0 HA SER A 47 -10.395 -3.889 -3.477 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.613 -2.722 -1.740 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.902 -2.539 -1.411 1.00 0.00 H new ATOM 0 HG SER A 47 -10.934 -0.546 -3.049 1.00 0.00 H new ATOM 781 N VAL A 57 -9.310 -2.265 -14.439 1.00 0.00 N ATOM 782 CA VAL A 57 -7.954 -2.122 -13.925 1.00 0.00 C ATOM 783 C VAL A 57 -7.571 -3.308 -13.042 1.00 0.00 C ATOM 784 O VAL A 57 -8.311 -4.285 -12.944 1.00 0.00 O ATOM 785 CB VAL A 57 -7.800 -0.817 -13.118 1.00 0.00 C ATOM 786 CG1 VAL A 57 -8.053 0.391 -14.008 1.00 0.00 C ATOM 787 CG2 VAL A 57 -8.741 -0.812 -11.922 1.00 0.00 C ATOM 0 HA VAL A 57 -7.287 -2.089 -14.786 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.777 -0.760 -12.745 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.940 1.304 -13.423 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.336 0.395 -14.829 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.065 0.341 -14.411 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.617 0.117 -11.365 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.771 -0.892 -12.269 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.510 -1.657 -11.273 1.00 0.00 H new ATOM 797 N TRP A 58 -6.408 -3.213 -12.403 1.00 0.00 N ATOM 798 CA TRP A 58 -5.922 -4.271 -11.532 1.00 0.00 C ATOM 799 C TRP A 58 -6.565 -4.172 -10.153 1.00 0.00 C ATOM 800 O TRP A 58 -6.367 -3.191 -9.437 1.00 0.00 O ATOM 801 CB TRP A 58 -4.402 -4.177 -11.410 1.00 0.00 C ATOM 802 CG TRP A 58 -3.739 -5.504 -11.237 1.00 0.00 C ATOM 803 CD1 TRP A 58 -3.922 -6.368 -10.202 1.00 0.00 C ATOM 804 CD2 TRP A 58 -2.795 -6.120 -12.119 1.00 0.00 C ATOM 805 NE1 TRP A 58 -3.144 -7.487 -10.381 1.00 0.00 N ATOM 806 CE2 TRP A 58 -2.443 -7.359 -11.551 1.00 0.00 C ATOM 807 CE3 TRP A 58 -2.211 -5.745 -13.332 1.00 0.00 C ATOM 808 CZ2 TRP A 58 -1.536 -8.224 -12.155 1.00 0.00 C ATOM 809 CZ3 TRP A 58 -1.310 -6.605 -13.931 1.00 0.00 C ATOM 810 CH2 TRP A 58 -0.981 -7.833 -13.343 1.00 0.00 C ATOM 0 H TRP A 58 -5.785 -2.409 -12.475 1.00 0.00 H new ATOM 0 HA TRP A 58 -6.191 -5.234 -11.966 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.002 -3.693 -12.301 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.151 -3.540 -10.562 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.581 -6.199 -9.363 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.096 -8.284 -9.746 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.459 -4.800 -13.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -1.279 -9.170 -11.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.852 -6.325 -14.868 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -0.275 -8.484 -13.837 1.00 0.00 H new ATOM 821 N SER A 59 -7.337 -5.190 -9.788 1.00 0.00 N ATOM 822 CA SER A 59 -8.010 -5.214 -8.495 1.00 0.00 C ATOM 823 C SER A 59 -8.011 -6.617 -7.901 1.00 0.00 C ATOM 824 O SER A 59 -7.714 -7.594 -8.588 1.00 0.00 O ATOM 825 CB SER A 59 -9.447 -4.707 -8.637 1.00 0.00 C ATOM 826 OG SER A 59 -9.963 -4.993 -9.926 1.00 0.00 O ATOM 0 H SER A 59 -7.512 -6.009 -10.370 1.00 0.00 H new ATOM 0 HA SER A 59 -7.462 -4.557 -7.819 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.077 -5.172 -7.878 1.00 0.00 H new ATOM 0 HB3 SER A 59 -9.476 -3.632 -8.460 1.00 0.00 H new ATOM 0 HG SER A 59 -10.883 -4.661 -9.991 1.00 0.00 H new ATOM 832 N ILE A 60 -8.343 -6.708 -6.617 1.00 0.00 N ATOM 833 CA ILE A 60 -8.381 -7.992 -5.929 1.00 0.00 C ATOM 834 C ILE A 60 -9.376 -7.970 -4.771 1.00 0.00 C ATOM 835 O ILE A 60 -9.714 -6.908 -4.250 1.00 0.00 O ATOM 836 CB ILE A 60 -6.983 -8.383 -5.395 1.00 0.00 C ATOM 837 CG1 ILE A 60 -6.784 -9.901 -5.481 1.00 0.00 C ATOM 838 CG2 ILE A 60 -6.787 -7.891 -3.963 1.00 0.00 C ATOM 839 CD1 ILE A 60 -5.709 -10.434 -4.556 1.00 0.00 C ATOM 0 H ILE A 60 -8.589 -5.909 -6.033 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.703 -8.735 -6.659 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.231 -7.900 -6.020 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.727 -10.395 -5.248 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.530 -10.167 -6.507 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.796 -8.179 -3.612 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.880 -6.805 -3.935 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.544 -8.337 -3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.629 -11.514 -4.676 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.754 -9.970 -4.802 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.970 -10.202 -3.523 1.00 0.00 H new ATOM 851 N ALA A 61 -9.826 -9.152 -4.362 1.00 0.00 N ATOM 852 CA ALA A 61 -10.763 -9.265 -3.255 1.00 0.00 C ATOM 853 C ALA A 61 -10.038 -9.080 -1.927 1.00 0.00 C ATOM 854 O ALA A 61 -8.875 -9.457 -1.787 1.00 0.00 O ATOM 855 CB ALA A 61 -11.471 -10.611 -3.298 1.00 0.00 C ATOM 0 H ALA A 61 -9.556 -10.042 -4.781 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.513 -8.479 -3.349 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.169 -10.682 -2.464 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -12.017 -10.705 -4.237 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.735 -11.412 -3.224 1.00 0.00 H new ATOM 861 N SER A 62 -10.723 -8.487 -0.957 1.00 0.00 N ATOM 862 CA SER A 62 -10.135 -8.243 0.355 1.00 0.00 C ATOM 863 C SER A 62 -9.833 -9.549 1.091 1.00 0.00 C ATOM 864 O SER A 62 -9.128 -9.548 2.100 1.00 0.00 O ATOM 865 CB SER A 62 -11.066 -7.373 1.201 1.00 0.00 C ATOM 866 OG SER A 62 -10.688 -7.400 2.566 1.00 0.00 O ATOM 0 H SER A 62 -11.686 -8.166 -1.054 1.00 0.00 H new ATOM 0 HA SER A 62 -9.192 -7.719 0.199 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.043 -6.347 0.834 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.092 -7.726 1.097 1.00 0.00 H new ATOM 0 HG SER A 62 -9.996 -8.081 2.700 1.00 0.00 H new ATOM 872 N GLU A 63 -10.366 -10.659 0.590 1.00 0.00 N ATOM 873 CA GLU A 63 -10.142 -11.958 1.215 1.00 0.00 C ATOM 874 C GLU A 63 -8.864 -12.610 0.690 1.00 0.00 C ATOM 875 O GLU A 63 -8.289 -13.480 1.345 1.00 0.00 O ATOM 876 CB GLU A 63 -11.338 -12.880 0.974 1.00 0.00 C ATOM 877 CG GLU A 63 -11.806 -12.908 -0.470 1.00 0.00 C ATOM 878 CD GLU A 63 -12.284 -14.280 -0.903 1.00 0.00 C ATOM 879 OE1 GLU A 63 -11.437 -15.186 -1.044 1.00 0.00 O ATOM 880 OE2 GLU A 63 -13.506 -14.449 -1.101 1.00 0.00 O ATOM 0 H GLU A 63 -10.954 -10.685 -0.243 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.028 -11.797 2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.073 -13.892 1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.165 -12.561 1.609 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.614 -12.188 -0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.989 -12.591 -1.119 1.00 0.00 H new ATOM 887 N LEU A 64 -8.422 -12.187 -0.492 1.00 0.00 N ATOM 888 CA LEU A 64 -7.215 -12.733 -1.095 1.00 0.00 C ATOM 889 C LEU A 64 -5.992 -11.881 -0.764 1.00 0.00 C ATOM 890 O LEU A 64 -4.900 -12.127 -1.274 1.00 0.00 O ATOM 891 CB LEU A 64 -7.372 -12.840 -2.615 1.00 0.00 C ATOM 892 CG LEU A 64 -8.802 -12.734 -3.143 1.00 0.00 C ATOM 893 CD1 LEU A 64 -8.808 -12.652 -4.661 1.00 0.00 C ATOM 894 CD2 LEU A 64 -9.629 -13.915 -2.669 1.00 0.00 C ATOM 0 H LEU A 64 -8.884 -11.468 -1.049 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.064 -13.729 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.774 -12.056 -3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.955 -13.794 -2.939 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.248 -11.820 -2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.835 -12.577 -5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.248 -11.773 -4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.345 -13.547 -5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.645 -13.825 -3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.184 -14.841 -3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.653 -13.928 -1.579 1.00 0.00 H new ATOM 906 N ILE A 65 -6.177 -10.876 0.089 1.00 0.00 N ATOM 907 CA ILE A 65 -5.084 -9.993 0.472 1.00 0.00 C ATOM 908 C ILE A 65 -4.083 -10.709 1.372 1.00 0.00 C ATOM 909 O ILE A 65 -2.896 -10.789 1.058 1.00 0.00 O ATOM 910 CB ILE A 65 -5.602 -8.738 1.199 1.00 0.00 C ATOM 911 CG1 ILE A 65 -6.747 -8.101 0.409 1.00 0.00 C ATOM 912 CG2 ILE A 65 -4.473 -7.738 1.404 1.00 0.00 C ATOM 913 CD1 ILE A 65 -6.354 -7.675 -0.988 1.00 0.00 C ATOM 0 H ILE A 65 -7.072 -10.655 0.526 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.587 -9.692 -0.450 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.980 -9.034 2.178 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.572 -8.810 0.345 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.115 -7.232 0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.856 -6.857 1.919 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.686 -8.195 2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.067 -7.444 0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.215 -7.232 -1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.550 -6.942 -0.932 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.014 -8.544 -1.551 1.00 0.00 H new ATOM 925 N GLU A 66 -4.570 -11.231 2.493 1.00 0.00 N ATOM 926 CA GLU A 66 -3.722 -11.938 3.441 1.00 0.00 C ATOM 927 C GLU A 66 -3.418 -13.359 2.965 1.00 0.00 C ATOM 928 O GLU A 66 -2.539 -14.027 3.509 1.00 0.00 O ATOM 929 CB GLU A 66 -4.396 -11.982 4.813 1.00 0.00 C ATOM 930 CG GLU A 66 -5.854 -12.407 4.765 1.00 0.00 C ATOM 931 CD GLU A 66 -6.240 -13.293 5.933 1.00 0.00 C ATOM 932 OE1 GLU A 66 -5.559 -13.229 6.978 1.00 0.00 O ATOM 933 OE2 GLU A 66 -7.224 -14.051 5.804 1.00 0.00 O ATOM 0 H GLU A 66 -5.551 -11.176 2.766 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.778 -11.398 3.516 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.847 -12.671 5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.329 -10.996 5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.488 -11.520 4.761 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.044 -12.938 3.832 1.00 0.00 H new ATOM 940 N LYS A 67 -4.150 -13.819 1.953 1.00 0.00 N ATOM 941 CA LYS A 67 -3.954 -15.162 1.420 1.00 0.00 C ATOM 942 C LYS A 67 -3.047 -15.145 0.192 1.00 0.00 C ATOM 943 O LYS A 67 -2.288 -16.086 -0.041 1.00 0.00 O ATOM 944 CB LYS A 67 -5.301 -15.792 1.062 1.00 0.00 C ATOM 945 CG LYS A 67 -6.294 -15.797 2.212 1.00 0.00 C ATOM 946 CD LYS A 67 -6.433 -17.182 2.824 1.00 0.00 C ATOM 947 CE LYS A 67 -7.508 -17.996 2.122 1.00 0.00 C ATOM 948 NZ LYS A 67 -7.086 -19.410 1.911 1.00 0.00 N ATOM 0 H LYS A 67 -4.882 -13.282 1.488 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.470 -15.760 2.193 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.734 -15.250 0.221 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.137 -16.817 0.730 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.970 -15.091 2.977 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.266 -15.457 1.856 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.479 -17.706 2.761 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.677 -17.090 3.882 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.423 -17.975 2.713 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.739 -17.539 1.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.847 -19.931 1.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.227 -19.432 1.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.890 -19.855 2.830 1.00 0.00 H new ATOM 962 N ARG A 68 -3.130 -14.075 -0.592 1.00 0.00 N ATOM 963 CA ARG A 68 -2.314 -13.950 -1.797 1.00 0.00 C ATOM 964 C ARG A 68 -1.282 -12.837 -1.652 1.00 0.00 C ATOM 965 O ARG A 68 -0.078 -13.089 -1.679 1.00 0.00 O ATOM 966 CB ARG A 68 -3.205 -13.681 -3.012 1.00 0.00 C ATOM 967 CG ARG A 68 -4.428 -14.581 -3.080 1.00 0.00 C ATOM 968 CD ARG A 68 -5.112 -14.492 -4.433 1.00 0.00 C ATOM 969 NE ARG A 68 -6.268 -15.383 -4.520 1.00 0.00 N ATOM 970 CZ ARG A 68 -6.833 -15.755 -5.667 1.00 0.00 C ATOM 971 NH1 ARG A 68 -6.352 -15.317 -6.824 1.00 0.00 N ATOM 972 NH2 ARG A 68 -7.881 -16.567 -5.657 1.00 0.00 N ATOM 0 H ARG A 68 -3.751 -13.285 -0.417 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.782 -14.890 -1.942 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.530 -12.641 -2.991 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.616 -13.812 -3.920 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.133 -15.613 -2.888 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.132 -14.300 -2.297 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.431 -13.465 -4.611 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.399 -14.745 -5.218 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.665 -15.741 -3.651 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.546 -14.692 -6.837 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.789 -15.605 -7.700 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.254 -16.907 -4.771 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.314 -16.852 -6.536 1.00 0.00 H new ATOM 986 N CYS A 69 -1.760 -11.606 -1.499 1.00 0.00 N ATOM 987 CA CYS A 69 -0.873 -10.456 -1.349 1.00 0.00 C ATOM 988 C CYS A 69 0.082 -10.654 -0.177 1.00 0.00 C ATOM 989 O CYS A 69 -0.332 -11.057 0.911 1.00 0.00 O ATOM 990 CB CYS A 69 -1.690 -9.178 -1.150 1.00 0.00 C ATOM 991 SG CYS A 69 -2.015 -8.264 -2.676 1.00 0.00 S ATOM 0 H CYS A 69 -2.754 -11.379 -1.476 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.283 -10.362 -2.261 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.641 -9.436 -0.684 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.161 -8.526 -0.454 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.233 -7.809 -2.658 1.00 0.00 H new ATOM 997 N ARG A 70 1.360 -10.376 -0.406 1.00 0.00 N ATOM 998 CA ARG A 70 2.374 -10.533 0.630 1.00 0.00 C ATOM 999 C ARG A 70 2.641 -9.210 1.345 1.00 0.00 C ATOM 1000 O ARG A 70 2.725 -9.165 2.573 1.00 0.00 O ATOM 1001 CB ARG A 70 3.671 -11.073 0.024 1.00 0.00 C ATOM 1002 CG ARG A 70 4.090 -12.423 0.584 1.00 0.00 C ATOM 1003 CD ARG A 70 5.509 -12.385 1.129 1.00 0.00 C ATOM 1004 NE ARG A 70 6.033 -13.724 1.388 1.00 0.00 N ATOM 1005 CZ ARG A 70 7.065 -13.974 2.191 1.00 0.00 C ATOM 1006 NH1 ARG A 70 7.684 -12.981 2.817 1.00 0.00 N ATOM 1007 NH2 ARG A 70 7.478 -15.220 2.369 1.00 0.00 N ATOM 0 H ARG A 70 1.719 -10.041 -1.300 1.00 0.00 H new ATOM 0 HA ARG A 70 1.998 -11.246 1.363 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.549 -11.159 -1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.471 -10.353 0.198 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.403 -12.718 1.377 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.019 -13.180 -0.197 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.157 -11.874 0.417 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.528 -11.804 2.051 1.00 0.00 H new ATOM 0 HE ARG A 70 5.582 -14.514 0.926 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.370 -12.020 2.684 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.474 -13.179 3.431 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.005 -15.987 1.891 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.269 -15.412 2.984 1.00 0.00 H new ATOM 1021 N ARG A 71 2.776 -8.136 0.573 1.00 0.00 N ATOM 1022 CA ARG A 71 3.038 -6.815 1.140 1.00 0.00 C ATOM 1023 C ARG A 71 1.822 -5.902 0.998 1.00 0.00 C ATOM 1024 O ARG A 71 0.970 -6.108 0.131 1.00 0.00 O ATOM 1025 CB ARG A 71 4.263 -6.174 0.479 1.00 0.00 C ATOM 1026 CG ARG A 71 4.487 -6.607 -0.962 1.00 0.00 C ATOM 1027 CD ARG A 71 5.258 -7.913 -1.043 1.00 0.00 C ATOM 1028 NE ARG A 71 5.875 -8.102 -2.354 1.00 0.00 N ATOM 1029 CZ ARG A 71 6.406 -9.251 -2.765 1.00 0.00 C ATOM 1030 NH1 ARG A 71 6.404 -10.314 -1.971 1.00 0.00 N ATOM 1031 NH2 ARG A 71 6.942 -9.336 -3.975 1.00 0.00 N ATOM 0 H ARG A 71 2.709 -8.153 -0.445 1.00 0.00 H new ATOM 0 HA ARG A 71 3.243 -6.946 2.203 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.153 -5.090 0.509 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.149 -6.421 1.064 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.525 -6.721 -1.461 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.033 -5.829 -1.495 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.030 -7.927 -0.273 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.585 -8.745 -0.835 1.00 0.00 H new ATOM 0 HE ARG A 71 5.900 -7.306 -2.992 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.994 -10.254 -1.039 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.813 -11.191 -2.293 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.947 -8.522 -4.589 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.349 -10.216 -4.292 1.00 0.00 H new ATOM 1045 N MET A 72 1.748 -4.895 1.862 1.00 0.00 N ATOM 1046 CA MET A 72 0.639 -3.950 1.850 1.00 0.00 C ATOM 1047 C MET A 72 1.139 -2.517 1.687 1.00 0.00 C ATOM 1048 O MET A 72 2.217 -2.164 2.167 1.00 0.00 O ATOM 1049 CB MET A 72 -0.172 -4.078 3.143 1.00 0.00 C ATOM 1050 CG MET A 72 -1.310 -3.078 3.255 1.00 0.00 C ATOM 1051 SD MET A 72 -2.780 -3.782 4.027 1.00 0.00 S ATOM 1052 CE MET A 72 -3.109 -5.164 2.935 1.00 0.00 C ATOM 0 H MET A 72 2.447 -4.713 2.582 1.00 0.00 H new ATOM 0 HA MET A 72 0.001 -4.186 0.999 1.00 0.00 H new ATOM 0 HB2 MET A 72 -0.580 -5.087 3.207 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.497 -3.950 3.994 1.00 0.00 H new ATOM 0 HG2 MET A 72 -0.977 -2.217 3.835 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.566 -2.712 2.261 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.167 -5.178 2.675 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.514 -5.061 2.028 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.846 -6.095 3.437 1.00 0.00 H new ATOM 1062 N VAL A 73 0.342 -1.694 1.016 1.00 0.00 N ATOM 1063 CA VAL A 73 0.689 -0.300 0.795 1.00 0.00 C ATOM 1064 C VAL A 73 -0.443 0.595 1.275 1.00 0.00 C ATOM 1065 O VAL A 73 -1.430 0.798 0.569 1.00 0.00 O ATOM 1066 CB VAL A 73 0.976 -0.023 -0.691 1.00 0.00 C ATOM 1067 CG1 VAL A 73 1.348 1.435 -0.908 1.00 0.00 C ATOM 1068 CG2 VAL A 73 2.078 -0.942 -1.198 1.00 0.00 C ATOM 0 H VAL A 73 -0.553 -1.972 0.614 1.00 0.00 H new ATOM 0 HA VAL A 73 1.595 -0.083 1.361 1.00 0.00 H new ATOM 0 HB VAL A 73 0.068 -0.226 -1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.546 1.606 -1.966 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.525 2.072 -0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.240 1.673 -0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.270 -0.734 -2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.988 -0.771 -0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.767 -1.980 -1.084 1.00 0.00 H new ATOM 1078 N VAL A 74 -0.304 1.110 2.489 1.00 0.00 N ATOM 1079 CA VAL A 74 -1.330 1.961 3.073 1.00 0.00 C ATOM 1080 C VAL A 74 -1.099 3.429 2.750 1.00 0.00 C ATOM 1081 O VAL A 74 0.038 3.887 2.638 1.00 0.00 O ATOM 1082 CB VAL A 74 -1.395 1.790 4.602 1.00 0.00 C ATOM 1083 CG1 VAL A 74 -2.658 2.429 5.154 1.00 0.00 C ATOM 1084 CG2 VAL A 74 -1.325 0.317 4.979 1.00 0.00 C ATOM 0 H VAL A 74 0.507 0.954 3.087 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.277 1.648 2.632 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.536 2.294 5.044 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.689 2.299 6.236 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.662 3.493 4.916 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.531 1.954 4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.372 0.216 6.063 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.163 -0.214 4.528 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.389 -0.107 4.616 1.00 0.00 H new ATOM 1094 N VAL A 75 -2.195 4.165 2.611 1.00 0.00 N ATOM 1095 CA VAL A 75 -2.137 5.587 2.315 1.00 0.00 C ATOM 1096 C VAL A 75 -2.748 6.389 3.460 1.00 0.00 C ATOM 1097 O VAL A 75 -3.965 6.403 3.637 1.00 0.00 O ATOM 1098 CB VAL A 75 -2.876 5.918 1.004 1.00 0.00 C ATOM 1099 CG1 VAL A 75 -2.746 7.397 0.667 1.00 0.00 C ATOM 1100 CG2 VAL A 75 -2.349 5.057 -0.135 1.00 0.00 C ATOM 0 H VAL A 75 -3.141 3.794 2.700 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.088 5.858 2.197 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.934 5.696 1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.276 7.606 -0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.176 7.993 1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.693 7.652 0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.881 5.303 -1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.284 5.246 -0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.504 4.005 0.103 1.00 0.00 H new ATOM 1110 N VAL A 76 -1.899 7.045 4.245 1.00 0.00 N ATOM 1111 CA VAL A 76 -2.370 7.831 5.380 1.00 0.00 C ATOM 1112 C VAL A 76 -2.464 9.314 5.034 1.00 0.00 C ATOM 1113 O VAL A 76 -1.469 10.038 5.060 1.00 0.00 O ATOM 1114 CB VAL A 76 -1.460 7.649 6.612 1.00 0.00 C ATOM 1115 CG1 VAL A 76 -0.055 8.165 6.337 1.00 0.00 C ATOM 1116 CG2 VAL A 76 -2.064 8.341 7.824 1.00 0.00 C ATOM 0 H VAL A 76 -0.887 7.048 4.117 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.367 7.462 5.621 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.385 6.583 6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.564 8.024 7.223 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.377 7.616 5.501 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.099 9.226 6.090 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.410 8.203 8.685 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.173 9.406 7.618 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.042 7.911 8.039 1.00 0.00 H new ATOM 1126 N SER A 77 -3.672 9.762 4.714 1.00 0.00 N ATOM 1127 CA SER A 77 -3.902 11.158 4.367 1.00 0.00 C ATOM 1128 C SER A 77 -5.071 11.734 5.159 1.00 0.00 C ATOM 1129 O SER A 77 -6.012 11.018 5.501 1.00 0.00 O ATOM 1130 CB SER A 77 -4.174 11.293 2.867 1.00 0.00 C ATOM 1131 OG SER A 77 -3.902 12.608 2.415 1.00 0.00 O ATOM 0 H SER A 77 -4.508 9.178 4.688 1.00 0.00 H new ATOM 0 HA SER A 77 -3.004 11.720 4.621 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.558 10.582 2.317 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.214 11.042 2.659 1.00 0.00 H new ATOM 0 HG SER A 77 -3.664 12.585 1.465 1.00 0.00 H new ATOM 1137 N ASP A 78 -5.003 13.033 5.446 1.00 0.00 N ATOM 1138 CA ASP A 78 -6.054 13.726 6.193 1.00 0.00 C ATOM 1139 C ASP A 78 -7.451 13.249 5.790 1.00 0.00 C ATOM 1140 O ASP A 78 -8.251 12.838 6.629 1.00 0.00 O ATOM 1141 CB ASP A 78 -5.952 15.233 5.943 1.00 0.00 C ATOM 1142 CG ASP A 78 -5.697 16.020 7.209 1.00 0.00 C ATOM 1143 OD1 ASP A 78 -4.553 15.987 7.704 1.00 0.00 O ATOM 1144 OD2 ASP A 78 -6.640 16.672 7.704 1.00 0.00 O ATOM 0 H ASP A 78 -4.225 13.632 5.170 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.909 13.501 7.250 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.148 15.425 5.233 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.875 15.584 5.482 1.00 0.00 H new ATOM 1149 N ASP A 79 -7.732 13.333 4.496 1.00 0.00 N ATOM 1150 CA ASP A 79 -9.026 12.944 3.944 1.00 0.00 C ATOM 1151 C ASP A 79 -9.369 11.478 4.225 1.00 0.00 C ATOM 1152 O ASP A 79 -10.522 11.071 4.091 1.00 0.00 O ATOM 1153 CB ASP A 79 -9.040 13.192 2.436 1.00 0.00 C ATOM 1154 CG ASP A 79 -9.225 14.657 2.093 1.00 0.00 C ATOM 1155 OD1 ASP A 79 -10.195 15.266 2.591 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -8.398 15.194 1.327 1.00 0.00 O ATOM 0 H ASP A 79 -7.070 13.673 3.798 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.782 13.556 4.436 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.105 12.836 2.003 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.843 12.611 1.982 1.00 0.00 H new ATOM 1161 N TYR A 80 -8.370 10.684 4.598 1.00 0.00 N ATOM 1162 CA TYR A 80 -8.588 9.269 4.876 1.00 0.00 C ATOM 1163 C TYR A 80 -8.952 9.037 6.339 1.00 0.00 C ATOM 1164 O TYR A 80 -9.793 8.197 6.656 1.00 0.00 O ATOM 1165 CB TYR A 80 -7.337 8.462 4.519 1.00 0.00 C ATOM 1166 CG TYR A 80 -7.621 7.058 4.023 1.00 0.00 C ATOM 1167 CD1 TYR A 80 -8.745 6.355 4.445 1.00 0.00 C ATOM 1168 CD2 TYR A 80 -6.755 6.433 3.136 1.00 0.00 C ATOM 1169 CE1 TYR A 80 -8.995 5.073 3.995 1.00 0.00 C ATOM 1170 CE2 TYR A 80 -6.999 5.150 2.683 1.00 0.00 C ATOM 1171 CZ TYR A 80 -8.120 4.476 3.115 1.00 0.00 C ATOM 1172 OH TYR A 80 -8.366 3.198 2.666 1.00 0.00 O ATOM 0 H TYR A 80 -7.406 10.995 4.714 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.424 8.935 4.261 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.779 9.000 3.753 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -6.695 8.401 5.398 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.433 6.819 5.136 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -5.875 6.958 2.794 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -9.873 4.541 4.332 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -6.314 4.678 1.994 1.00 0.00 H new ATOM 0 HH TYR A 80 -8.703 3.234 1.746 1.00 0.00 H new ATOM 1182 N LEU A 81 -8.316 9.784 7.232 1.00 0.00 N ATOM 1183 CA LEU A 81 -8.574 9.650 8.650 1.00 0.00 C ATOM 1184 C LEU A 81 -9.942 10.205 9.003 1.00 0.00 C ATOM 1185 O LEU A 81 -10.590 9.739 9.941 1.00 0.00 O ATOM 1186 CB LEU A 81 -7.493 10.372 9.444 1.00 0.00 C ATOM 1187 CG LEU A 81 -6.075 9.869 9.212 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -5.054 10.938 9.573 1.00 0.00 C ATOM 1189 CD2 LEU A 81 -5.837 8.616 10.021 1.00 0.00 C ATOM 0 H LEU A 81 -7.618 10.488 6.994 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.559 8.591 8.907 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.530 11.433 9.197 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.724 10.284 10.506 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.957 9.636 8.154 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.049 10.555 9.399 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.218 11.821 8.955 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.163 11.205 10.624 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.821 8.261 9.851 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.972 8.836 11.080 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.546 7.846 9.717 1.00 0.00 H new ATOM 1201 N GLN A 82 -10.381 11.198 8.243 1.00 0.00 N ATOM 1202 CA GLN A 82 -11.673 11.807 8.475 1.00 0.00 C ATOM 1203 C GLN A 82 -12.801 10.820 8.176 1.00 0.00 C ATOM 1204 O GLN A 82 -13.953 11.056 8.537 1.00 0.00 O ATOM 1205 CB GLN A 82 -11.829 13.055 7.610 1.00 0.00 C ATOM 1206 CG GLN A 82 -11.480 12.827 6.150 1.00 0.00 C ATOM 1207 CD GLN A 82 -12.081 13.879 5.236 1.00 0.00 C ATOM 1208 OE1 GLN A 82 -12.596 13.565 4.162 1.00 0.00 O ATOM 1209 NE2 GLN A 82 -12.016 15.137 5.659 1.00 0.00 N ATOM 0 H GLN A 82 -9.859 11.595 7.462 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.733 12.091 9.526 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -12.858 13.409 7.679 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -11.193 13.845 8.008 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.396 12.827 6.035 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.833 11.842 5.845 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.580 15.352 6.556 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.402 15.888 5.087 1.00 0.00 H new ATOM 1218 N SER A 83 -12.461 9.716 7.514 1.00 0.00 N ATOM 1219 CA SER A 83 -13.445 8.700 7.167 1.00 0.00 C ATOM 1220 C SER A 83 -13.237 7.432 7.989 1.00 0.00 C ATOM 1221 O SER A 83 -12.159 7.207 8.539 1.00 0.00 O ATOM 1222 CB SER A 83 -13.365 8.371 5.675 1.00 0.00 C ATOM 1223 OG SER A 83 -14.268 9.170 4.928 1.00 0.00 O ATOM 0 H SER A 83 -11.511 9.505 7.208 1.00 0.00 H new ATOM 0 HA SER A 83 -14.434 9.099 7.394 1.00 0.00 H new ATOM 0 HB2 SER A 83 -12.348 8.534 5.317 1.00 0.00 H new ATOM 0 HB3 SER A 83 -13.593 7.316 5.519 1.00 0.00 H new ATOM 0 HG SER A 83 -14.197 8.942 3.977 1.00 0.00 H new ATOM 1229 N LYS A 84 -14.278 6.609 8.069 1.00 0.00 N ATOM 1230 CA LYS A 84 -14.215 5.366 8.820 1.00 0.00 C ATOM 1231 C LYS A 84 -13.408 4.308 8.072 1.00 0.00 C ATOM 1232 O LYS A 84 -12.869 3.383 8.677 1.00 0.00 O ATOM 1233 CB LYS A 84 -15.629 4.851 9.086 1.00 0.00 C ATOM 1234 CG LYS A 84 -16.485 4.746 7.832 1.00 0.00 C ATOM 1235 CD LYS A 84 -17.793 5.510 7.980 1.00 0.00 C ATOM 1236 CE LYS A 84 -17.607 6.993 7.702 1.00 0.00 C ATOM 1237 NZ LYS A 84 -18.904 7.726 7.701 1.00 0.00 N ATOM 0 H LYS A 84 -15.177 6.784 7.620 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.714 5.565 9.768 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -15.567 3.870 9.557 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -16.121 5.515 9.797 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.930 5.136 6.979 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -16.697 3.698 7.623 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -18.534 5.100 7.294 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -18.183 5.374 8.989 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -16.948 7.423 8.456 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -17.116 7.123 6.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -18.733 8.734 7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -19.525 7.333 6.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -19.361 7.624 8.630 1.00 0.00 H new ATOM 1251 N GLU A 85 -13.328 4.451 6.751 1.00 0.00 N ATOM 1252 CA GLU A 85 -12.586 3.509 5.918 1.00 0.00 C ATOM 1253 C GLU A 85 -11.188 3.269 6.480 1.00 0.00 C ATOM 1254 O GLU A 85 -10.655 2.162 6.393 1.00 0.00 O ATOM 1255 CB GLU A 85 -12.489 4.030 4.483 1.00 0.00 C ATOM 1256 CG GLU A 85 -13.698 3.688 3.627 1.00 0.00 C ATOM 1257 CD GLU A 85 -13.336 2.860 2.409 1.00 0.00 C ATOM 1258 OE1 GLU A 85 -12.939 3.454 1.385 1.00 0.00 O ATOM 1259 OE2 GLU A 85 -13.450 1.619 2.478 1.00 0.00 O ATOM 0 H GLU A 85 -13.769 5.212 6.234 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.125 2.562 5.917 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.366 5.113 4.506 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.595 3.617 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.423 3.142 4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.182 4.610 3.304 1.00 0.00 H new ATOM 1266 N CYS A 86 -10.603 4.309 7.062 1.00 0.00 N ATOM 1267 CA CYS A 86 -9.273 4.208 7.645 1.00 0.00 C ATOM 1268 C CYS A 86 -9.339 3.534 9.008 1.00 0.00 C ATOM 1269 O CYS A 86 -8.408 2.839 9.413 1.00 0.00 O ATOM 1270 CB CYS A 86 -8.637 5.593 7.776 1.00 0.00 C ATOM 1271 SG CYS A 86 -6.830 5.572 7.834 1.00 0.00 S ATOM 0 H CYS A 86 -11.030 5.232 7.142 1.00 0.00 H new ATOM 0 HA CYS A 86 -8.656 3.601 6.983 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -8.956 6.209 6.935 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -9.014 6.070 8.681 1.00 0.00 H new ATOM 0 HG CYS A 86 -6.378 6.787 7.730 1.00 0.00 H new ATOM 1277 N ASP A 87 -10.450 3.736 9.710 1.00 0.00 N ATOM 1278 CA ASP A 87 -10.638 3.138 11.024 1.00 0.00 C ATOM 1279 C ASP A 87 -10.620 1.620 10.916 1.00 0.00 C ATOM 1280 O ASP A 87 -9.922 0.940 11.669 1.00 0.00 O ATOM 1281 CB ASP A 87 -11.954 3.608 11.645 1.00 0.00 C ATOM 1282 CG ASP A 87 -11.772 4.815 12.543 1.00 0.00 C ATOM 1283 OD1 ASP A 87 -10.982 5.711 12.180 1.00 0.00 O ATOM 1284 OD2 ASP A 87 -12.420 4.865 13.610 1.00 0.00 O ATOM 0 H ASP A 87 -11.231 4.308 9.390 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.819 3.456 11.670 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.660 3.853 10.851 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.392 2.793 12.221 1.00 0.00 H new ATOM 1289 N PHE A 88 -11.383 1.097 9.964 1.00 0.00 N ATOM 1290 CA PHE A 88 -11.444 -0.340 9.743 1.00 0.00 C ATOM 1291 C PHE A 88 -10.095 -0.846 9.252 1.00 0.00 C ATOM 1292 O PHE A 88 -9.611 -1.893 9.687 1.00 0.00 O ATOM 1293 CB PHE A 88 -12.533 -0.673 8.722 1.00 0.00 C ATOM 1294 CG PHE A 88 -12.850 -2.138 8.639 1.00 0.00 C ATOM 1295 CD1 PHE A 88 -13.816 -2.700 9.459 1.00 0.00 C ATOM 1296 CD2 PHE A 88 -12.183 -2.955 7.739 1.00 0.00 C ATOM 1297 CE1 PHE A 88 -14.111 -4.048 9.383 1.00 0.00 C ATOM 1298 CE2 PHE A 88 -12.473 -4.303 7.659 1.00 0.00 C ATOM 1299 CZ PHE A 88 -13.439 -4.852 8.484 1.00 0.00 C ATOM 0 H PHE A 88 -11.967 1.647 9.334 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.687 -0.832 10.685 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -13.441 -0.127 8.980 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.218 -0.321 7.739 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -14.344 -2.077 10.166 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -11.428 -2.532 7.093 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -14.867 -4.472 10.027 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -11.946 -4.928 6.953 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.667 -5.906 8.425 1.00 0.00 H new ATOM 1309 N GLN A 89 -9.484 -0.083 8.351 1.00 0.00 N ATOM 1310 CA GLN A 89 -8.184 -0.435 7.802 1.00 0.00 C ATOM 1311 C GLN A 89 -7.139 -0.477 8.913 1.00 0.00 C ATOM 1312 O GLN A 89 -6.276 -1.351 8.934 1.00 0.00 O ATOM 1313 CB GLN A 89 -7.780 0.576 6.728 1.00 0.00 C ATOM 1314 CG GLN A 89 -6.545 0.172 5.943 1.00 0.00 C ATOM 1315 CD GLN A 89 -5.328 0.993 6.314 1.00 0.00 C ATOM 1316 OE1 GLN A 89 -4.240 0.314 6.647 1.00 0.00 O flip ATOM 1317 NE2 GLN A 89 -5.367 2.224 6.303 1.00 0.00 N flip ATOM 0 H GLN A 89 -9.873 0.787 7.986 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.246 -1.423 7.347 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.612 0.710 6.036 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.600 1.542 7.200 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.335 -0.883 6.120 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.743 0.284 4.877 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.227 2.705 6.040 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.539 2.763 6.557 1.00 0.00 H new ATOM 1326 N THR A 90 -7.238 0.471 9.840 1.00 0.00 N ATOM 1327 CA THR A 90 -6.317 0.550 10.966 1.00 0.00 C ATOM 1328 C THR A 90 -6.458 -0.658 11.867 1.00 0.00 C ATOM 1329 O THR A 90 -5.535 -1.446 11.985 1.00 0.00 O ATOM 1330 CB THR A 90 -6.562 1.834 11.760 1.00 0.00 C ATOM 1331 OG1 THR A 90 -6.466 2.971 10.920 1.00 0.00 O ATOM 1332 CG2 THR A 90 -5.586 2.027 12.897 1.00 0.00 C ATOM 0 H THR A 90 -7.952 1.199 9.832 1.00 0.00 H new ATOM 0 HA THR A 90 -5.300 0.565 10.574 1.00 0.00 H new ATOM 0 HB THR A 90 -7.565 1.730 12.173 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.364 3.254 10.649 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.815 2.956 13.419 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.666 1.191 13.592 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.571 2.074 12.502 1.00 0.00 H new ATOM 1340 N LYS A 91 -7.610 -0.804 12.504 1.00 0.00 N ATOM 1341 CA LYS A 91 -7.840 -1.929 13.407 1.00 0.00 C ATOM 1342 C LYS A 91 -7.391 -3.245 12.784 1.00 0.00 C ATOM 1343 O LYS A 91 -6.979 -4.164 13.489 1.00 0.00 O ATOM 1344 CB LYS A 91 -9.316 -2.011 13.801 1.00 0.00 C ATOM 1345 CG LYS A 91 -9.679 -1.145 14.995 1.00 0.00 C ATOM 1346 CD LYS A 91 -9.473 0.331 14.694 1.00 0.00 C ATOM 1347 CE LYS A 91 -9.806 1.197 15.899 1.00 0.00 C ATOM 1348 NZ LYS A 91 -11.119 1.881 15.745 1.00 0.00 N ATOM 0 H LYS A 91 -8.398 -0.163 12.415 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.243 -1.758 14.303 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.927 -1.714 12.949 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.566 -3.048 14.026 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.719 -1.320 15.270 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.070 -1.431 15.852 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.438 0.502 14.397 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.099 0.622 13.851 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.822 0.579 16.797 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.023 1.942 16.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.309 2.461 16.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.096 2.490 14.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.870 1.170 15.638 1.00 0.00 H new ATOM 1362 N PHE A 92 -7.459 -3.326 11.466 1.00 0.00 N ATOM 1363 CA PHE A 92 -7.042 -4.530 10.766 1.00 0.00 C ATOM 1364 C PHE A 92 -5.573 -4.435 10.369 1.00 0.00 C ATOM 1365 O PHE A 92 -4.895 -5.449 10.204 1.00 0.00 O ATOM 1366 CB PHE A 92 -7.910 -4.756 9.528 1.00 0.00 C ATOM 1367 CG PHE A 92 -7.804 -6.143 8.964 1.00 0.00 C ATOM 1368 CD1 PHE A 92 -6.708 -6.514 8.203 1.00 0.00 C ATOM 1369 CD2 PHE A 92 -8.802 -7.077 9.194 1.00 0.00 C ATOM 1370 CE1 PHE A 92 -6.607 -7.789 7.682 1.00 0.00 C ATOM 1371 CE2 PHE A 92 -8.707 -8.355 8.675 1.00 0.00 C ATOM 1372 CZ PHE A 92 -7.608 -8.711 7.918 1.00 0.00 C ATOM 0 H PHE A 92 -7.797 -2.577 10.862 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.166 -5.379 11.439 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.951 -4.555 9.783 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.626 -4.038 8.759 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.922 -5.797 8.015 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -9.663 -6.803 9.785 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.746 -8.065 7.091 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.491 -9.074 8.861 1.00 0.00 H new ATOM 0 HZ PHE A 92 -7.531 -9.709 7.511 1.00 0.00 H new ATOM 1382 N ALA A 93 -5.089 -3.206 10.214 1.00 0.00 N ATOM 1383 CA ALA A 93 -3.703 -2.968 9.833 1.00 0.00 C ATOM 1384 C ALA A 93 -2.796 -2.807 11.050 1.00 0.00 C ATOM 1385 O ALA A 93 -1.594 -3.061 10.974 1.00 0.00 O ATOM 1386 CB ALA A 93 -3.609 -1.740 8.948 1.00 0.00 C ATOM 0 H ALA A 93 -5.639 -2.358 10.347 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.360 -3.842 9.280 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.569 -1.571 8.669 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -4.206 -1.893 8.049 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.985 -0.872 9.489 1.00 0.00 H new ATOM 1392 N LEU A 94 -3.369 -2.379 12.168 1.00 0.00 N ATOM 1393 CA LEU A 94 -2.603 -2.182 13.384 1.00 0.00 C ATOM 1394 C LEU A 94 -2.450 -3.494 14.122 1.00 0.00 C ATOM 1395 O LEU A 94 -1.362 -3.861 14.569 1.00 0.00 O ATOM 1396 CB LEU A 94 -3.303 -1.154 14.268 1.00 0.00 C ATOM 1397 CG LEU A 94 -4.773 -1.428 14.606 1.00 0.00 C ATOM 1398 CD1 LEU A 94 -4.891 -2.385 15.769 1.00 0.00 C ATOM 1399 CD2 LEU A 94 -5.495 -0.124 14.921 1.00 0.00 C ATOM 0 H LEU A 94 -4.362 -2.163 12.254 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.610 -1.813 13.127 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.748 -1.074 15.202 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.242 -0.183 13.776 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.241 -1.889 13.736 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.944 -2.563 15.989 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.409 -3.329 15.514 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.405 -1.955 16.645 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.538 -0.334 15.159 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.018 0.359 15.774 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.446 0.537 14.056 1.00 0.00 H new ATOM 1411 N SER A 95 -3.559 -4.188 14.233 1.00 0.00 N ATOM 1412 CA SER A 95 -3.599 -5.482 14.908 1.00 0.00 C ATOM 1413 C SER A 95 -3.801 -6.610 13.902 1.00 0.00 C ATOM 1414 O SER A 95 -4.726 -7.414 14.029 1.00 0.00 O ATOM 1415 CB SER A 95 -4.714 -5.507 15.956 1.00 0.00 C ATOM 1416 OG SER A 95 -5.990 -5.420 15.348 1.00 0.00 O ATOM 0 H SER A 95 -4.459 -3.881 13.863 1.00 0.00 H new ATOM 0 HA SER A 95 -2.643 -5.631 15.410 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.648 -6.425 16.539 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.582 -4.678 16.651 1.00 0.00 H new ATOM 0 HG SER A 95 -6.008 -4.658 14.732 1.00 0.00 H new ATOM 1422 N LEU A 96 -2.927 -6.667 12.904 1.00 0.00 N ATOM 1423 CA LEU A 96 -3.008 -7.702 11.876 1.00 0.00 C ATOM 1424 C LEU A 96 -2.373 -9.001 12.366 1.00 0.00 C ATOM 1425 O LEU A 96 -3.067 -9.926 12.791 1.00 0.00 O ATOM 1426 CB LEU A 96 -2.340 -7.257 10.565 1.00 0.00 C ATOM 1427 CG LEU A 96 -1.669 -5.882 10.581 1.00 0.00 C ATOM 1428 CD1 LEU A 96 -0.307 -5.951 11.256 1.00 0.00 C ATOM 1429 CD2 LEU A 96 -1.531 -5.353 9.166 1.00 0.00 C ATOM 0 H LEU A 96 -2.155 -6.011 12.783 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.066 -7.874 11.676 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.591 -8.001 10.293 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.094 -7.261 9.778 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.297 -5.199 11.154 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.150 -4.961 11.255 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.427 -6.294 12.284 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.333 -6.647 10.714 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.052 -4.374 9.189 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.923 -6.041 8.578 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.518 -5.264 8.713 1.00 0.00 H new ATOM 1441 N SER A 97 -1.048 -9.058 12.302 1.00 0.00 N ATOM 1442 CA SER A 97 -0.304 -10.235 12.734 1.00 0.00 C ATOM 1443 C SER A 97 0.467 -9.942 14.020 1.00 0.00 C ATOM 1444 O SER A 97 0.430 -8.822 14.529 1.00 0.00 O ATOM 1445 CB SER A 97 0.656 -10.677 11.625 1.00 0.00 C ATOM 1446 OG SER A 97 0.324 -11.970 11.146 1.00 0.00 O ATOM 0 H SER A 97 -0.464 -8.298 11.953 1.00 0.00 H new ATOM 0 HA SER A 97 -1.009 -11.041 12.937 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.621 -9.962 10.803 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.678 -10.678 12.004 1.00 0.00 H new ATOM 0 HG SER A 97 0.951 -12.227 10.438 1.00 0.00 H new ATOM 1452 N PRO A 98 1.177 -10.946 14.571 1.00 0.00 N ATOM 1453 CA PRO A 98 1.946 -10.776 15.807 1.00 0.00 C ATOM 1454 C PRO A 98 3.281 -10.064 15.588 1.00 0.00 C ATOM 1455 O PRO A 98 4.075 -9.923 16.517 1.00 0.00 O ATOM 1456 CB PRO A 98 2.175 -12.214 16.267 1.00 0.00 C ATOM 1457 CG PRO A 98 2.208 -13.012 15.010 1.00 0.00 C ATOM 1458 CD PRO A 98 1.278 -12.324 14.043 1.00 0.00 C ATOM 0 HA PRO A 98 1.420 -10.152 16.530 1.00 0.00 H new ATOM 0 HB2 PRO A 98 3.109 -12.309 16.821 1.00 0.00 H new ATOM 0 HB3 PRO A 98 1.377 -12.550 16.929 1.00 0.00 H new ATOM 0 HG2 PRO A 98 3.220 -13.061 14.608 1.00 0.00 H new ATOM 0 HG3 PRO A 98 1.888 -14.038 15.193 1.00 0.00 H new ATOM 0 HD2 PRO A 98 1.676 -12.335 13.028 1.00 0.00 H new ATOM 0 HD3 PRO A 98 0.304 -12.812 14.009 1.00 0.00 H new ATOM 1466 N GLY A 99 3.525 -9.615 14.359 1.00 0.00 N ATOM 1467 CA GLY A 99 4.766 -8.924 14.059 1.00 0.00 C ATOM 1468 C GLY A 99 4.834 -8.435 12.626 1.00 0.00 C ATOM 1469 O GLY A 99 5.743 -8.801 11.880 1.00 0.00 O ATOM 0 H GLY A 99 2.888 -9.717 13.569 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.876 -8.075 14.734 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.605 -9.593 14.250 1.00 0.00 H new ATOM 1473 N ALA A 100 3.873 -7.602 12.242 1.00 0.00 N ATOM 1474 CA ALA A 100 3.827 -7.057 10.892 1.00 0.00 C ATOM 1475 C ALA A 100 3.155 -5.688 10.885 1.00 0.00 C ATOM 1476 O ALA A 100 2.264 -5.426 10.078 1.00 0.00 O ATOM 1477 CB ALA A 100 3.098 -8.015 9.961 1.00 0.00 C ATOM 0 H ALA A 100 3.115 -7.290 12.848 1.00 0.00 H new ATOM 0 HA ALA A 100 4.849 -6.935 10.535 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.071 -7.595 8.955 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.621 -8.971 9.941 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.079 -8.166 10.319 1.00 0.00 H new ATOM 1483 N HIS A 101 3.587 -4.820 11.793 1.00 0.00 N ATOM 1484 CA HIS A 101 3.029 -3.477 11.897 1.00 0.00 C ATOM 1485 C HIS A 101 3.652 -2.550 10.862 1.00 0.00 C ATOM 1486 O HIS A 101 2.964 -1.739 10.243 1.00 0.00 O ATOM 1487 CB HIS A 101 3.255 -2.919 13.303 1.00 0.00 C ATOM 1488 CG HIS A 101 2.562 -3.699 14.375 1.00 0.00 C ATOM 1489 ND1 HIS A 101 2.996 -4.935 14.808 1.00 0.00 N ATOM 1490 CD2 HIS A 101 1.457 -3.414 15.105 1.00 0.00 C ATOM 1491 CE1 HIS A 101 2.187 -5.376 15.756 1.00 0.00 C ATOM 1492 NE2 HIS A 101 1.247 -4.471 15.955 1.00 0.00 N ATOM 0 H HIS A 101 4.323 -5.023 12.469 1.00 0.00 H new ATOM 0 HA HIS A 101 1.958 -3.537 11.705 1.00 0.00 H new ATOM 0 HB2 HIS A 101 4.325 -2.903 13.511 1.00 0.00 H new ATOM 0 HB3 HIS A 101 2.908 -1.886 13.335 1.00 0.00 H new ATOM 0 HD2 HIS A 101 0.854 -2.521 15.032 1.00 0.00 H new ATOM 0 HE1 HIS A 101 2.279 -6.317 16.279 1.00 0.00 H new ATOM 0 HE2 HIS A 101 0.487 -4.545 16.631 1.00 0.00 H new ATOM 1501 N GLN A 102 4.959 -2.681 10.676 1.00 0.00 N ATOM 1502 CA GLN A 102 5.682 -1.861 9.714 1.00 0.00 C ATOM 1503 C GLN A 102 6.671 -2.709 8.923 1.00 0.00 C ATOM 1504 O GLN A 102 7.723 -2.226 8.501 1.00 0.00 O ATOM 1505 CB GLN A 102 6.419 -0.724 10.426 1.00 0.00 C ATOM 1506 CG GLN A 102 7.488 -1.206 11.395 1.00 0.00 C ATOM 1507 CD GLN A 102 8.015 -0.092 12.278 1.00 0.00 C ATOM 1508 OE1 GLN A 102 7.586 0.065 13.421 1.00 0.00 O ATOM 1509 NE2 GLN A 102 8.952 0.689 11.751 1.00 0.00 N ATOM 0 H GLN A 102 5.541 -3.350 11.181 1.00 0.00 H new ATOM 0 HA GLN A 102 4.958 -1.431 9.021 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.881 -0.078 9.680 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.695 -0.116 10.969 1.00 0.00 H new ATOM 0 HG2 GLN A 102 7.076 -1.998 12.021 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.314 -1.641 10.833 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.278 0.523 10.799 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.345 1.455 12.298 1.00 0.00 H new ATOM 1518 N LYS A 103 6.328 -3.978 8.729 1.00 0.00 N ATOM 1519 CA LYS A 103 7.182 -4.901 7.994 1.00 0.00 C ATOM 1520 C LYS A 103 6.565 -5.267 6.648 1.00 0.00 C ATOM 1521 O LYS A 103 7.274 -5.615 5.704 1.00 0.00 O ATOM 1522 CB LYS A 103 7.417 -6.167 8.819 1.00 0.00 C ATOM 1523 CG LYS A 103 8.660 -6.105 9.691 1.00 0.00 C ATOM 1524 CD LYS A 103 8.500 -5.103 10.823 1.00 0.00 C ATOM 1525 CE LYS A 103 9.777 -4.314 11.057 1.00 0.00 C ATOM 1526 NZ LYS A 103 10.491 -4.761 12.285 1.00 0.00 N ATOM 0 H LYS A 103 5.461 -4.391 9.072 1.00 0.00 H new ATOM 0 HA LYS A 103 8.136 -4.406 7.810 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.548 -6.344 9.453 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.499 -7.020 8.145 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.865 -7.092 10.105 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.520 -5.831 9.080 1.00 0.00 H new ATOM 0 HD2 LYS A 103 7.686 -4.417 10.590 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.223 -5.628 11.737 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.435 -4.424 10.195 1.00 0.00 H new ATOM 0 HE3 LYS A 103 9.538 -3.254 11.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 11.356 -4.197 12.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 9.874 -4.632 13.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 10.742 -5.766 12.194 1.00 0.00 H new ATOM 1540 N ARG A 104 5.239 -5.194 6.567 1.00 0.00 N ATOM 1541 CA ARG A 104 4.532 -5.526 5.334 1.00 0.00 C ATOM 1542 C ARG A 104 3.734 -4.335 4.814 1.00 0.00 C ATOM 1543 O ARG A 104 3.678 -4.095 3.610 1.00 0.00 O ATOM 1544 CB ARG A 104 3.595 -6.713 5.567 1.00 0.00 C ATOM 1545 CG ARG A 104 4.271 -7.901 6.229 1.00 0.00 C ATOM 1546 CD ARG A 104 3.313 -9.072 6.392 1.00 0.00 C ATOM 1547 NE ARG A 104 3.616 -10.159 5.467 1.00 0.00 N ATOM 1548 CZ ARG A 104 3.196 -11.412 5.629 1.00 0.00 C ATOM 1549 NH1 ARG A 104 2.454 -11.739 6.680 1.00 0.00 N ATOM 1550 NH2 ARG A 104 3.518 -12.339 4.738 1.00 0.00 N ATOM 0 H ARG A 104 4.635 -4.909 7.338 1.00 0.00 H new ATOM 0 HA ARG A 104 5.277 -5.792 4.584 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.759 -6.389 6.187 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.178 -7.029 4.611 1.00 0.00 H new ATOM 0 HG2 ARG A 104 5.128 -8.212 5.632 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.654 -7.605 7.206 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.364 -9.442 7.416 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.291 -8.730 6.227 1.00 0.00 H new ATOM 0 HE ARG A 104 4.184 -9.946 4.647 1.00 0.00 H new ATOM 0 HH11 ARG A 104 2.203 -11.029 7.368 1.00 0.00 H new ATOM 0 HH12 ARG A 104 2.135 -12.700 6.800 1.00 0.00 H new ATOM 0 HH21 ARG A 104 4.087 -12.092 3.928 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.196 -13.299 4.862 1.00 0.00 H new ATOM 1564 N LEU A 105 3.113 -3.595 5.726 1.00 0.00 N ATOM 1565 CA LEU A 105 2.313 -2.439 5.352 1.00 0.00 C ATOM 1566 C LEU A 105 3.103 -1.148 5.521 1.00 0.00 C ATOM 1567 O LEU A 105 3.702 -0.905 6.569 1.00 0.00 O ATOM 1568 CB LEU A 105 1.044 -2.384 6.200 1.00 0.00 C ATOM 1569 CG LEU A 105 1.233 -2.741 7.676 1.00 0.00 C ATOM 1570 CD1 LEU A 105 0.356 -1.863 8.556 1.00 0.00 C ATOM 1571 CD2 LEU A 105 0.923 -4.209 7.910 1.00 0.00 C ATOM 0 H LEU A 105 3.149 -3.777 6.729 1.00 0.00 H new ATOM 0 HA LEU A 105 2.042 -2.540 4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.626 -1.379 6.136 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.308 -3.063 5.769 1.00 0.00 H new ATOM 0 HG LEU A 105 2.274 -2.561 7.943 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.505 -2.132 9.602 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.625 -0.817 8.409 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.690 -2.010 8.289 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.062 -4.447 8.965 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.109 -4.413 7.625 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.593 -4.823 7.308 1.00 0.00 H new ATOM 1583 N ILE A 106 3.101 -0.321 4.481 1.00 0.00 N ATOM 1584 CA ILE A 106 3.819 0.948 4.516 1.00 0.00 C ATOM 1585 C ILE A 106 2.894 2.124 4.202 1.00 0.00 C ATOM 1586 O ILE A 106 2.302 2.188 3.125 1.00 0.00 O ATOM 1587 CB ILE A 106 4.997 0.964 3.520 1.00 0.00 C ATOM 1588 CG1 ILE A 106 4.578 0.350 2.176 1.00 0.00 C ATOM 1589 CG2 ILE A 106 6.200 0.236 4.107 1.00 0.00 C ATOM 1590 CD1 ILE A 106 4.755 -1.154 2.098 1.00 0.00 C ATOM 0 H ILE A 106 2.612 -0.506 3.605 1.00 0.00 H new ATOM 0 HA ILE A 106 4.206 1.053 5.530 1.00 0.00 H new ATOM 0 HB ILE A 106 5.285 1.999 3.338 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.532 0.592 1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.159 0.815 1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.022 0.256 3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.509 0.728 5.029 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.931 -0.798 4.321 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.436 -1.507 1.117 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.805 -1.405 2.251 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.151 -1.632 2.870 1.00 0.00 H new ATOM 1602 N PRO A 107 2.759 3.077 5.144 1.00 0.00 N ATOM 1603 CA PRO A 107 1.907 4.261 4.964 1.00 0.00 C ATOM 1604 C PRO A 107 2.526 5.268 4.001 1.00 0.00 C ATOM 1605 O PRO A 107 3.743 5.451 3.981 1.00 0.00 O ATOM 1606 CB PRO A 107 1.829 4.849 6.371 1.00 0.00 C ATOM 1607 CG PRO A 107 3.115 4.446 7.005 1.00 0.00 C ATOM 1608 CD PRO A 107 3.425 3.080 6.461 1.00 0.00 C ATOM 0 HA PRO A 107 0.936 4.012 4.536 1.00 0.00 H new ATOM 0 HB2 PRO A 107 1.720 5.933 6.344 1.00 0.00 H new ATOM 0 HB3 PRO A 107 0.973 4.456 6.920 1.00 0.00 H new ATOM 0 HG2 PRO A 107 3.909 5.153 6.764 1.00 0.00 H new ATOM 0 HG3 PRO A 107 3.026 4.424 8.091 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.499 2.919 6.368 1.00 0.00 H new ATOM 0 HD3 PRO A 107 3.039 2.293 7.108 1.00 0.00 H new ATOM 1616 N ILE A 108 1.683 5.911 3.201 1.00 0.00 N ATOM 1617 CA ILE A 108 2.156 6.892 2.230 1.00 0.00 C ATOM 1618 C ILE A 108 1.110 7.980 1.975 1.00 0.00 C ATOM 1619 O ILE A 108 -0.085 7.768 2.173 1.00 0.00 O ATOM 1620 CB ILE A 108 2.510 6.204 0.891 1.00 0.00 C ATOM 1621 CG1 ILE A 108 3.741 5.311 1.056 1.00 0.00 C ATOM 1622 CG2 ILE A 108 2.746 7.232 -0.210 1.00 0.00 C ATOM 1623 CD1 ILE A 108 3.406 3.853 1.278 1.00 0.00 C ATOM 0 H ILE A 108 0.673 5.772 3.205 1.00 0.00 H new ATOM 0 HA ILE A 108 3.048 7.357 2.650 1.00 0.00 H new ATOM 0 HB ILE A 108 1.663 5.583 0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.366 5.400 0.167 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.331 5.672 1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.993 6.719 -1.140 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.844 7.827 -0.352 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.570 7.886 0.074 1.00 0.00 H new ATOM 0 HD11 ILE A 108 4.327 3.280 1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 108 2.807 3.751 2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.842 3.475 0.425 1.00 0.00 H new ATOM 1635 N LYS A 109 1.576 9.137 1.514 1.00 0.00 N ATOM 1636 CA LYS A 109 0.692 10.257 1.202 1.00 0.00 C ATOM 1637 C LYS A 109 1.438 11.319 0.400 1.00 0.00 C ATOM 1638 O LYS A 109 2.589 11.122 0.013 1.00 0.00 O ATOM 1639 CB LYS A 109 0.088 10.887 2.467 1.00 0.00 C ATOM 1640 CG LYS A 109 0.889 10.655 3.736 1.00 0.00 C ATOM 1641 CD LYS A 109 2.339 11.078 3.575 1.00 0.00 C ATOM 1642 CE LYS A 109 3.029 11.208 4.921 1.00 0.00 C ATOM 1643 NZ LYS A 109 2.461 12.319 5.734 1.00 0.00 N ATOM 0 H LYS A 109 2.565 9.324 1.347 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.128 9.860 0.604 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.013 11.961 2.309 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.917 10.490 2.610 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.437 11.211 4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.846 9.599 4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 109 2.867 10.347 2.962 1.00 0.00 H new ATOM 0 HD3 LYS A 109 2.386 12.030 3.047 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.933 10.271 5.470 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.094 11.379 4.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.174 13.069 5.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.622 12.706 5.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.190 11.960 6.671 1.00 0.00 H new ATOM 1657 N TYR A 110 0.772 12.439 0.154 1.00 0.00 N ATOM 1658 CA TYR A 110 1.371 13.531 -0.607 1.00 0.00 C ATOM 1659 C TYR A 110 1.625 14.751 0.279 1.00 0.00 C ATOM 1660 O TYR A 110 1.983 15.822 -0.213 1.00 0.00 O ATOM 1661 CB TYR A 110 0.472 13.917 -1.785 1.00 0.00 C ATOM 1662 CG TYR A 110 -0.996 14.003 -1.429 1.00 0.00 C ATOM 1663 CD1 TYR A 110 -1.777 12.858 -1.336 1.00 0.00 C ATOM 1664 CD2 TYR A 110 -1.601 15.230 -1.189 1.00 0.00 C ATOM 1665 CE1 TYR A 110 -3.118 12.932 -1.012 1.00 0.00 C ATOM 1666 CE2 TYR A 110 -2.942 15.314 -0.864 1.00 0.00 C ATOM 1667 CZ TYR A 110 -3.695 14.162 -0.777 1.00 0.00 C ATOM 1668 OH TYR A 110 -5.030 14.241 -0.454 1.00 0.00 O ATOM 0 H TYR A 110 -0.182 12.617 0.469 1.00 0.00 H new ATOM 0 HA TYR A 110 2.330 13.183 -0.990 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.798 14.880 -2.179 1.00 0.00 H new ATOM 0 HB3 TYR A 110 0.601 13.186 -2.583 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -1.328 11.893 -1.520 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -1.014 16.134 -1.257 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -3.711 12.032 -0.943 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -3.397 16.276 -0.679 1.00 0.00 H new ATOM 0 HH TYR A 110 -5.279 15.179 -0.319 1.00 0.00 H new ATOM 1678 N LYS A 111 1.440 14.584 1.587 1.00 0.00 N ATOM 1679 CA LYS A 111 1.653 15.667 2.542 1.00 0.00 C ATOM 1680 C LYS A 111 1.181 15.259 3.932 1.00 0.00 C ATOM 1681 O LYS A 111 0.197 14.534 4.075 1.00 0.00 O ATOM 1682 CB LYS A 111 0.916 16.935 2.098 1.00 0.00 C ATOM 1683 CG LYS A 111 -0.503 16.676 1.620 1.00 0.00 C ATOM 1684 CD LYS A 111 -1.460 17.754 2.103 1.00 0.00 C ATOM 1685 CE LYS A 111 -2.909 17.305 1.996 1.00 0.00 C ATOM 1686 NZ LYS A 111 -3.765 18.341 1.356 1.00 0.00 N ATOM 0 H LYS A 111 1.142 13.705 2.010 1.00 0.00 H new ATOM 0 HA LYS A 111 2.722 15.875 2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.888 17.639 2.930 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.480 17.411 1.296 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -0.519 16.635 0.531 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -0.837 15.703 1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -1.232 18.006 3.139 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -1.315 18.660 1.515 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -2.962 16.383 1.418 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -3.294 17.080 2.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -4.745 17.997 1.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -3.735 19.213 1.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -3.414 18.538 0.397 1.00 0.00 H new ATOM 1700 N ALA A 112 1.889 15.729 4.953 1.00 0.00 N ATOM 1701 CA ALA A 112 1.540 15.412 6.332 1.00 0.00 C ATOM 1702 C ALA A 112 0.098 15.798 6.637 1.00 0.00 C ATOM 1703 O ALA A 112 -0.432 16.754 6.072 1.00 0.00 O ATOM 1704 CB ALA A 112 2.491 16.115 7.289 1.00 0.00 C ATOM 0 H ALA A 112 2.707 16.330 4.852 1.00 0.00 H new ATOM 0 HA ALA A 112 1.635 14.335 6.467 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.220 15.871 8.316 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.512 15.786 7.095 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.423 17.193 7.143 1.00 0.00 H new ATOM 1710 N MET A 113 -0.533 15.050 7.535 1.00 0.00 N ATOM 1711 CA MET A 113 -1.911 15.313 7.915 1.00 0.00 C ATOM 1712 C MET A 113 -1.974 16.386 8.994 1.00 0.00 C ATOM 1713 O MET A 113 -1.321 16.281 10.032 1.00 0.00 O ATOM 1714 CB MET A 113 -2.576 14.032 8.416 1.00 0.00 C ATOM 1715 CG MET A 113 -2.528 12.895 7.409 1.00 0.00 C ATOM 1716 SD MET A 113 -1.376 11.593 7.885 1.00 0.00 S ATOM 1717 CE MET A 113 -1.950 11.225 9.540 1.00 0.00 C ATOM 0 H MET A 113 -0.109 14.255 8.013 1.00 0.00 H new ATOM 0 HA MET A 113 -2.446 15.670 7.035 1.00 0.00 H new ATOM 0 HB2 MET A 113 -2.087 13.713 9.337 1.00 0.00 H new ATOM 0 HB3 MET A 113 -3.616 14.244 8.664 1.00 0.00 H new ATOM 0 HG2 MET A 113 -3.526 12.470 7.299 1.00 0.00 H new ATOM 0 HG3 MET A 113 -2.241 13.290 6.434 1.00 0.00 H new ATOM 0 HE1 MET A 113 -1.169 11.472 10.259 1.00 0.00 H new ATOM 0 HE2 MET A 113 -2.841 11.814 9.755 1.00 0.00 H new ATOM 0 HE3 MET A 113 -2.190 10.164 9.615 1.00 0.00 H new ATOM 1727 N LYS A 114 -2.763 17.422 8.736 1.00 0.00 N ATOM 1728 CA LYS A 114 -2.917 18.525 9.676 1.00 0.00 C ATOM 1729 C LYS A 114 -3.732 18.108 10.900 1.00 0.00 C ATOM 1730 O LYS A 114 -3.907 18.895 11.830 1.00 0.00 O ATOM 1731 CB LYS A 114 -3.589 19.714 8.988 1.00 0.00 C ATOM 1732 CG LYS A 114 -2.615 20.622 8.256 1.00 0.00 C ATOM 1733 CD LYS A 114 -2.450 20.205 6.803 1.00 0.00 C ATOM 1734 CE LYS A 114 -3.760 20.307 6.038 1.00 0.00 C ATOM 1735 NZ LYS A 114 -4.298 18.966 5.676 1.00 0.00 N ATOM 0 H LYS A 114 -3.308 17.521 7.880 1.00 0.00 H new ATOM 0 HA LYS A 114 -1.922 18.814 10.014 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.329 19.342 8.279 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.127 20.298 9.734 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.970 21.651 8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.646 20.596 8.755 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -1.700 20.836 6.326 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.081 19.180 6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.493 20.841 6.643 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -3.607 20.893 5.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -4.693 18.998 4.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -3.532 18.263 5.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -5.045 18.699 6.348 1.00 0.00 H new ATOM 1749 N LYS A 115 -4.232 16.874 10.902 1.00 0.00 N ATOM 1750 CA LYS A 115 -5.023 16.382 12.026 1.00 0.00 C ATOM 1751 C LYS A 115 -4.311 15.227 12.734 1.00 0.00 C ATOM 1752 O LYS A 115 -3.093 15.085 12.620 1.00 0.00 O ATOM 1753 CB LYS A 115 -6.434 15.991 11.575 1.00 0.00 C ATOM 1754 CG LYS A 115 -6.509 15.469 10.158 1.00 0.00 C ATOM 1755 CD LYS A 115 -6.594 13.964 10.147 1.00 0.00 C ATOM 1756 CE LYS A 115 -8.033 13.498 10.294 1.00 0.00 C ATOM 1757 NZ LYS A 115 -8.168 12.419 11.310 1.00 0.00 N ATOM 0 H LYS A 115 -4.105 16.202 10.145 1.00 0.00 H new ATOM 0 HA LYS A 115 -5.126 17.191 12.749 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.822 15.230 12.252 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.086 16.860 11.665 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -7.380 15.891 9.656 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.631 15.792 9.599 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.177 13.580 9.216 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.991 13.556 10.959 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -8.661 14.343 10.577 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -8.398 13.138 9.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -8.929 11.769 11.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -7.273 11.895 11.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -8.397 12.839 12.234 1.00 0.00 H new ATOM 1771 N GLU A 116 -5.057 14.426 13.489 1.00 0.00 N ATOM 1772 CA GLU A 116 -4.471 13.319 14.233 1.00 0.00 C ATOM 1773 C GLU A 116 -4.094 12.154 13.332 1.00 0.00 C ATOM 1774 O GLU A 116 -4.629 11.992 12.235 1.00 0.00 O ATOM 1775 CB GLU A 116 -5.429 12.835 15.323 1.00 0.00 C ATOM 1776 CG GLU A 116 -6.890 12.814 14.899 1.00 0.00 C ATOM 1777 CD GLU A 116 -7.689 11.741 15.616 1.00 0.00 C ATOM 1778 OE1 GLU A 116 -7.708 10.591 15.131 1.00 0.00 O ATOM 1779 OE2 GLU A 116 -8.293 12.053 16.663 1.00 0.00 O ATOM 0 H GLU A 116 -6.066 14.523 13.601 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.557 13.697 14.691 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.136 11.831 15.630 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.324 13.479 16.196 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.336 13.788 15.098 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -6.950 12.649 13.823 1.00 0.00 H new ATOM 1786 N PHE A 117 -3.168 11.340 13.822 1.00 0.00 N ATOM 1787 CA PHE A 117 -2.698 10.170 13.100 1.00 0.00 C ATOM 1788 C PHE A 117 -3.190 8.898 13.777 1.00 0.00 C ATOM 1789 O PHE A 117 -3.376 8.860 14.994 1.00 0.00 O ATOM 1790 CB PHE A 117 -1.169 10.160 13.028 1.00 0.00 C ATOM 1791 CG PHE A 117 -0.497 10.754 14.233 1.00 0.00 C ATOM 1792 CD1 PHE A 117 -0.447 10.057 15.429 1.00 0.00 C ATOM 1793 CD2 PHE A 117 0.088 12.009 14.169 1.00 0.00 C ATOM 1794 CE1 PHE A 117 0.171 10.600 16.540 1.00 0.00 C ATOM 1795 CE2 PHE A 117 0.708 12.558 15.275 1.00 0.00 C ATOM 1796 CZ PHE A 117 0.750 11.852 16.462 1.00 0.00 C ATOM 0 H PHE A 117 -2.723 11.474 14.730 1.00 0.00 H new ATOM 0 HA PHE A 117 -3.097 10.212 12.087 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -0.828 9.132 12.904 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -0.854 10.709 12.141 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -0.896 9.077 15.494 1.00 0.00 H new ATOM 0 HD2 PHE A 117 0.059 12.565 13.243 1.00 0.00 H new ATOM 0 HE1 PHE A 117 0.201 10.047 17.467 1.00 0.00 H new ATOM 0 HE2 PHE A 117 1.159 13.537 15.212 1.00 0.00 H new ATOM 0 HZ PHE A 117 1.235 12.278 17.328 1.00 0.00 H new ATOM 1806 N PRO A 118 -3.404 7.836 12.993 1.00 0.00 N ATOM 1807 CA PRO A 118 -3.873 6.557 13.503 1.00 0.00 C ATOM 1808 C PRO A 118 -2.736 5.670 13.979 1.00 0.00 C ATOM 1809 O PRO A 118 -1.615 5.777 13.487 1.00 0.00 O ATOM 1810 CB PRO A 118 -4.555 5.948 12.284 1.00 0.00 C ATOM 1811 CG PRO A 118 -3.791 6.476 11.117 1.00 0.00 C ATOM 1812 CD PRO A 118 -3.203 7.800 11.535 1.00 0.00 C ATOM 0 HA PRO A 118 -4.521 6.666 14.373 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -4.525 4.859 12.317 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -5.605 6.236 12.233 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -3.004 5.780 10.825 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -4.444 6.600 10.253 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.146 7.867 11.276 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -3.705 8.633 11.042 1.00 0.00 H new ATOM 1820 N SER A 119 -3.036 4.772 14.919 1.00 0.00 N ATOM 1821 CA SER A 119 -2.035 3.840 15.424 1.00 0.00 C ATOM 1822 C SER A 119 -1.678 2.899 14.291 1.00 0.00 C ATOM 1823 O SER A 119 -2.054 1.727 14.284 1.00 0.00 O ATOM 1824 CB SER A 119 -2.572 3.058 16.625 1.00 0.00 C ATOM 1825 OG SER A 119 -3.985 2.962 16.580 1.00 0.00 O ATOM 0 H SER A 119 -3.959 4.673 15.342 1.00 0.00 H new ATOM 0 HA SER A 119 -1.153 4.382 15.764 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.137 2.059 16.637 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.267 3.549 17.549 1.00 0.00 H new ATOM 0 HG SER A 119 -4.303 2.457 17.357 1.00 0.00 H new ATOM 1831 N ILE A 120 -1.010 3.463 13.300 1.00 0.00 N ATOM 1832 CA ILE A 120 -0.652 2.745 12.099 1.00 0.00 C ATOM 1833 C ILE A 120 0.662 3.272 11.535 1.00 0.00 C ATOM 1834 O ILE A 120 1.549 2.506 11.159 1.00 0.00 O ATOM 1835 CB ILE A 120 -1.790 2.934 11.071 1.00 0.00 C ATOM 1836 CG1 ILE A 120 -2.936 1.973 11.375 1.00 0.00 C ATOM 1837 CG2 ILE A 120 -1.305 2.760 9.645 1.00 0.00 C ATOM 1838 CD1 ILE A 120 -2.591 0.527 11.125 1.00 0.00 C ATOM 0 H ILE A 120 -0.702 4.435 13.310 1.00 0.00 H new ATOM 0 HA ILE A 120 -0.518 1.687 12.323 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.151 3.959 11.161 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -3.233 2.092 12.417 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -3.798 2.243 10.765 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -2.139 2.902 8.957 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -0.530 3.496 9.432 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -0.897 1.757 9.519 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.452 -0.099 11.362 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -2.323 0.393 10.077 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -1.749 0.240 11.755 1.00 0.00 H new ATOM 1850 N LEU A 121 0.769 4.593 11.483 1.00 0.00 N ATOM 1851 CA LEU A 121 1.962 5.253 10.970 1.00 0.00 C ATOM 1852 C LEU A 121 2.584 6.162 12.026 1.00 0.00 C ATOM 1853 O LEU A 121 3.190 7.185 11.699 1.00 0.00 O ATOM 1854 CB LEU A 121 1.633 6.059 9.702 1.00 0.00 C ATOM 1855 CG LEU A 121 0.381 6.952 9.761 1.00 0.00 C ATOM 1856 CD1 LEU A 121 -0.885 6.137 9.532 1.00 0.00 C ATOM 1857 CD2 LEU A 121 0.299 7.707 11.082 1.00 0.00 C ATOM 0 H LEU A 121 0.038 5.233 11.793 1.00 0.00 H new ATOM 0 HA LEU A 121 2.687 4.480 10.715 1.00 0.00 H new ATOM 0 HB2 LEU A 121 2.491 6.689 9.466 1.00 0.00 H new ATOM 0 HB3 LEU A 121 1.514 5.360 8.874 1.00 0.00 H new ATOM 0 HG LEU A 121 0.466 7.685 8.959 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.754 6.793 9.579 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -0.841 5.664 8.551 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -0.968 5.370 10.302 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -0.597 8.328 11.091 1.00 0.00 H new ATOM 0 HD22 LEU A 121 0.255 6.995 11.906 1.00 0.00 H new ATOM 0 HD23 LEU A 121 1.180 8.339 11.195 1.00 0.00 H new ATOM 1869 N ARG A 122 2.425 5.786 13.294 1.00 0.00 N ATOM 1870 CA ARG A 122 2.961 6.568 14.411 1.00 0.00 C ATOM 1871 C ARG A 122 4.363 7.096 14.118 1.00 0.00 C ATOM 1872 O ARG A 122 4.665 8.259 14.382 1.00 0.00 O ATOM 1873 CB ARG A 122 2.978 5.728 15.689 1.00 0.00 C ATOM 1874 CG ARG A 122 3.523 4.322 15.494 1.00 0.00 C ATOM 1875 CD ARG A 122 3.238 3.444 16.701 1.00 0.00 C ATOM 1876 NE ARG A 122 4.028 2.216 16.688 1.00 0.00 N ATOM 1877 CZ ARG A 122 3.697 1.127 15.997 1.00 0.00 C ATOM 1878 NH1 ARG A 122 2.597 1.111 15.253 1.00 0.00 N ATOM 1879 NH2 ARG A 122 4.468 0.049 16.049 1.00 0.00 N ATOM 0 H ARG A 122 1.927 4.941 13.576 1.00 0.00 H new ATOM 0 HA ARG A 122 2.304 7.427 14.549 1.00 0.00 H new ATOM 0 HB2 ARG A 122 3.580 6.239 16.440 1.00 0.00 H new ATOM 0 HB3 ARG A 122 1.964 5.663 16.083 1.00 0.00 H new ATOM 0 HG2 ARG A 122 3.076 3.877 14.605 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.598 4.368 15.321 1.00 0.00 H new ATOM 0 HD2 ARG A 122 3.452 4.002 17.613 1.00 0.00 H new ATOM 0 HD3 ARG A 122 2.178 3.192 16.723 1.00 0.00 H new ATOM 0 HE ARG A 122 4.885 2.191 17.241 1.00 0.00 H new ATOM 0 HH11 ARG A 122 2.000 1.936 15.208 1.00 0.00 H new ATOM 0 HH12 ARG A 122 2.350 0.273 14.726 1.00 0.00 H new ATOM 0 HH21 ARG A 122 5.314 0.054 16.618 1.00 0.00 H new ATOM 0 HH22 ARG A 122 4.215 -0.785 15.520 1.00 0.00 H new ATOM 1893 N PHE A 123 5.214 6.236 13.576 1.00 0.00 N ATOM 1894 CA PHE A 123 6.583 6.622 13.253 1.00 0.00 C ATOM 1895 C PHE A 123 7.268 5.557 12.405 1.00 0.00 C ATOM 1896 O PHE A 123 8.484 5.375 12.481 1.00 0.00 O ATOM 1897 CB PHE A 123 7.383 6.860 14.534 1.00 0.00 C ATOM 1898 CG PHE A 123 7.366 5.691 15.477 1.00 0.00 C ATOM 1899 CD1 PHE A 123 8.290 4.667 15.348 1.00 0.00 C ATOM 1900 CD2 PHE A 123 6.425 5.616 16.492 1.00 0.00 C ATOM 1901 CE1 PHE A 123 8.276 3.590 16.213 1.00 0.00 C ATOM 1902 CE2 PHE A 123 6.405 4.541 17.358 1.00 0.00 C ATOM 1903 CZ PHE A 123 7.333 3.526 17.219 1.00 0.00 C ATOM 0 H PHE A 123 4.983 5.268 13.351 1.00 0.00 H new ATOM 0 HA PHE A 123 6.544 7.547 12.677 1.00 0.00 H new ATOM 0 HB2 PHE A 123 8.416 7.089 14.271 1.00 0.00 H new ATOM 0 HB3 PHE A 123 6.983 7.735 15.046 1.00 0.00 H new ATOM 0 HD1 PHE A 123 9.030 4.711 14.562 1.00 0.00 H new ATOM 0 HD2 PHE A 123 5.699 6.408 16.607 1.00 0.00 H new ATOM 0 HE1 PHE A 123 9.002 2.799 16.102 1.00 0.00 H new ATOM 0 HE2 PHE A 123 5.665 4.493 18.143 1.00 0.00 H new ATOM 0 HZ PHE A 123 7.320 2.685 17.896 1.00 0.00 H new ATOM 1913 N ILE A 124 6.480 4.850 11.603 1.00 0.00 N ATOM 1914 CA ILE A 124 7.000 3.802 10.748 1.00 0.00 C ATOM 1915 C ILE A 124 7.452 4.361 9.401 1.00 0.00 C ATOM 1916 O ILE A 124 7.449 5.574 9.189 1.00 0.00 O ATOM 1917 CB ILE A 124 5.935 2.712 10.533 1.00 0.00 C ATOM 1918 CG1 ILE A 124 4.818 3.218 9.614 1.00 0.00 C ATOM 1919 CG2 ILE A 124 5.365 2.264 11.873 1.00 0.00 C ATOM 1920 CD1 ILE A 124 3.673 2.240 9.450 1.00 0.00 C ATOM 0 H ILE A 124 5.472 4.989 11.531 1.00 0.00 H new ATOM 0 HA ILE A 124 7.867 3.364 11.244 1.00 0.00 H new ATOM 0 HB ILE A 124 6.408 1.856 10.051 1.00 0.00 H new ATOM 0 HG12 ILE A 124 4.429 4.155 10.012 1.00 0.00 H new ATOM 0 HG13 ILE A 124 5.239 3.438 8.633 1.00 0.00 H new ATOM 0 HG21 ILE A 124 4.613 1.493 11.709 1.00 0.00 H new ATOM 0 HG22 ILE A 124 6.166 1.863 12.493 1.00 0.00 H new ATOM 0 HG23 ILE A 124 4.908 3.116 12.377 1.00 0.00 H new ATOM 0 HD11 ILE A 124 2.921 2.668 8.786 1.00 0.00 H new ATOM 0 HD12 ILE A 124 4.047 1.310 9.023 1.00 0.00 H new ATOM 0 HD13 ILE A 124 3.225 2.038 10.423 1.00 0.00 H new ATOM 1932 N THR A 125 7.837 3.471 8.492 1.00 0.00 N ATOM 1933 CA THR A 125 8.292 3.880 7.167 1.00 0.00 C ATOM 1934 C THR A 125 7.194 4.642 6.428 1.00 0.00 C ATOM 1935 O THR A 125 6.286 4.040 5.857 1.00 0.00 O ATOM 1936 CB THR A 125 8.715 2.652 6.354 1.00 0.00 C ATOM 1937 OG1 THR A 125 9.832 2.018 6.952 1.00 0.00 O ATOM 1938 CG2 THR A 125 9.083 2.975 4.921 1.00 0.00 C ATOM 0 H THR A 125 7.843 2.463 8.648 1.00 0.00 H new ATOM 0 HA THR A 125 9.149 4.542 7.288 1.00 0.00 H new ATOM 0 HB THR A 125 7.843 1.997 6.347 1.00 0.00 H new ATOM 0 HG1 THR A 125 10.087 1.235 6.421 1.00 0.00 H new ATOM 0 HG21 THR A 125 9.372 2.060 4.404 1.00 0.00 H new ATOM 0 HG22 THR A 125 8.226 3.421 4.417 1.00 0.00 H new ATOM 0 HG23 THR A 125 9.916 3.677 4.909 1.00 0.00 H new ATOM 1946 N VAL A 126 7.284 5.968 6.443 1.00 0.00 N ATOM 1947 CA VAL A 126 6.297 6.806 5.777 1.00 0.00 C ATOM 1948 C VAL A 126 6.915 7.573 4.609 1.00 0.00 C ATOM 1949 O VAL A 126 8.047 8.045 4.694 1.00 0.00 O ATOM 1950 CB VAL A 126 5.662 7.802 6.765 1.00 0.00 C ATOM 1951 CG1 VAL A 126 6.686 8.824 7.242 1.00 0.00 C ATOM 1952 CG2 VAL A 126 4.465 8.491 6.130 1.00 0.00 C ATOM 0 H VAL A 126 8.030 6.484 6.909 1.00 0.00 H new ATOM 0 HA VAL A 126 5.523 6.143 5.390 1.00 0.00 H new ATOM 0 HB VAL A 126 5.315 7.245 7.636 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.212 9.516 7.939 1.00 0.00 H new ATOM 0 HG12 VAL A 126 7.507 8.310 7.742 1.00 0.00 H new ATOM 0 HG13 VAL A 126 7.073 9.378 6.387 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.028 9.191 6.842 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.786 9.032 5.240 1.00 0.00 H new ATOM 0 HG23 VAL A 126 3.721 7.745 5.852 1.00 0.00 H new ATOM 1962 N CYS A 127 6.159 7.693 3.521 1.00 0.00 N ATOM 1963 CA CYS A 127 6.630 8.402 2.337 1.00 0.00 C ATOM 1964 C CYS A 127 5.871 9.714 2.147 1.00 0.00 C ATOM 1965 O CYS A 127 4.671 9.714 1.862 1.00 0.00 O ATOM 1966 CB CYS A 127 6.474 7.527 1.093 1.00 0.00 C ATOM 1967 SG CYS A 127 7.732 6.236 0.937 1.00 0.00 S ATOM 0 H CYS A 127 5.218 7.308 3.436 1.00 0.00 H new ATOM 0 HA CYS A 127 7.686 8.631 2.481 1.00 0.00 H new ATOM 0 HB2 CYS A 127 5.489 7.060 1.111 1.00 0.00 H new ATOM 0 HB3 CYS A 127 6.509 8.162 0.208 1.00 0.00 H new ATOM 0 HG CYS A 127 8.782 6.723 0.345 1.00 0.00 H new ATOM 1973 N ASP A 128 6.581 10.828 2.306 1.00 0.00 N ATOM 1974 CA ASP A 128 5.984 12.149 2.153 1.00 0.00 C ATOM 1975 C ASP A 128 6.830 13.026 1.240 1.00 0.00 C ATOM 1976 O ASP A 128 8.059 13.029 1.329 1.00 0.00 O ATOM 1977 CB ASP A 128 5.821 12.823 3.518 1.00 0.00 C ATOM 1978 CG ASP A 128 4.515 13.583 3.639 1.00 0.00 C ATOM 1979 OD1 ASP A 128 3.832 13.761 2.606 1.00 0.00 O ATOM 1980 OD2 ASP A 128 4.174 14.002 4.765 1.00 0.00 O ATOM 0 H ASP A 128 7.573 10.840 2.541 1.00 0.00 H new ATOM 0 HA ASP A 128 5.001 12.023 1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 128 5.871 12.067 4.301 1.00 0.00 H new ATOM 0 HB3 ASP A 128 6.653 13.508 3.683 1.00 0.00 H new ATOM 1985 N TYR A 129 6.169 13.774 0.362 1.00 0.00 N ATOM 1986 CA TYR A 129 6.866 14.657 -0.561 1.00 0.00 C ATOM 1987 C TYR A 129 7.343 15.914 0.153 1.00 0.00 C ATOM 1988 O TYR A 129 6.678 16.950 0.127 1.00 0.00 O ATOM 1989 CB TYR A 129 5.963 15.032 -1.738 1.00 0.00 C ATOM 1990 CG TYR A 129 5.265 13.848 -2.368 1.00 0.00 C ATOM 1991 CD1 TYR A 129 5.942 12.653 -2.582 1.00 0.00 C ATOM 1992 CD2 TYR A 129 3.932 13.925 -2.751 1.00 0.00 C ATOM 1993 CE1 TYR A 129 5.310 11.569 -3.161 1.00 0.00 C ATOM 1994 CE2 TYR A 129 3.293 12.845 -3.328 1.00 0.00 C ATOM 1995 CZ TYR A 129 3.987 11.670 -3.531 1.00 0.00 C ATOM 1996 OH TYR A 129 3.353 10.591 -4.106 1.00 0.00 O ATOM 0 H TYR A 129 5.153 13.785 0.272 1.00 0.00 H new ATOM 0 HA TYR A 129 7.735 14.123 -0.945 1.00 0.00 H new ATOM 0 HB2 TYR A 129 5.213 15.745 -1.397 1.00 0.00 H new ATOM 0 HB3 TYR A 129 6.561 15.537 -2.497 1.00 0.00 H new ATOM 0 HD1 TYR A 129 6.979 12.570 -2.291 1.00 0.00 H new ATOM 0 HD2 TYR A 129 3.387 14.844 -2.595 1.00 0.00 H new ATOM 0 HE1 TYR A 129 5.850 10.648 -3.322 1.00 0.00 H new ATOM 0 HE2 TYR A 129 2.256 12.920 -3.619 1.00 0.00 H new ATOM 0 HH TYR A 129 2.465 10.482 -3.706 1.00 0.00 H new ATOM 2006 N THR A 130 8.506 15.815 0.783 1.00 0.00 N ATOM 2007 CA THR A 130 9.090 16.944 1.501 1.00 0.00 C ATOM 2008 C THR A 130 9.865 17.826 0.533 1.00 0.00 C ATOM 2009 O THR A 130 9.662 19.039 0.471 1.00 0.00 O ATOM 2010 CB THR A 130 10.013 16.451 2.618 1.00 0.00 C ATOM 2011 OG1 THR A 130 11.108 15.732 2.081 1.00 0.00 O ATOM 2012 CG2 THR A 130 9.316 15.550 3.614 1.00 0.00 C ATOM 0 H THR A 130 9.066 14.963 0.812 1.00 0.00 H new ATOM 0 HA THR A 130 8.286 17.526 1.951 1.00 0.00 H new ATOM 0 HB THR A 130 10.347 17.350 3.137 1.00 0.00 H new ATOM 0 HG1 THR A 130 11.688 15.426 2.810 1.00 0.00 H new ATOM 0 HG21 THR A 130 10.026 15.236 4.379 1.00 0.00 H new ATOM 0 HG22 THR A 130 8.494 16.092 4.082 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.925 14.672 3.099 1.00 0.00 H new ATOM 2020 N ASN A 131 10.736 17.192 -0.239 1.00 0.00 N ATOM 2021 CA ASN A 131 11.534 17.885 -1.238 1.00 0.00 C ATOM 2022 C ASN A 131 11.244 17.292 -2.613 1.00 0.00 C ATOM 2023 O ASN A 131 12.137 16.765 -3.280 1.00 0.00 O ATOM 2024 CB ASN A 131 13.025 17.774 -0.904 1.00 0.00 C ATOM 2025 CG ASN A 131 13.621 19.101 -0.476 1.00 0.00 C ATOM 2026 OD1 ASN A 131 13.277 20.153 -1.013 1.00 0.00 O ATOM 2027 ND2 ASN A 131 14.523 19.057 0.499 1.00 0.00 N ATOM 0 H ASN A 131 10.908 16.188 -0.191 1.00 0.00 H new ATOM 0 HA ASN A 131 11.270 18.942 -1.242 1.00 0.00 H new ATOM 0 HB2 ASN A 131 13.163 17.043 -0.107 1.00 0.00 H new ATOM 0 HB3 ASN A 131 13.563 17.401 -1.775 1.00 0.00 H new ATOM 0 HD21 ASN A 131 14.959 19.918 0.830 1.00 0.00 H new ATOM 0 HD22 ASN A 131 14.779 18.162 0.917 1.00 0.00 H new ATOM 2034 N PRO A 132 9.967 17.353 -3.045 1.00 0.00 N ATOM 2035 CA PRO A 132 9.525 16.811 -4.327 1.00 0.00 C ATOM 2036 C PRO A 132 10.555 16.990 -5.437 1.00 0.00 C ATOM 2037 O PRO A 132 10.664 16.160 -6.340 1.00 0.00 O ATOM 2038 CB PRO A 132 8.273 17.627 -4.632 1.00 0.00 C ATOM 2039 CG PRO A 132 7.717 18.016 -3.300 1.00 0.00 C ATOM 2040 CD PRO A 132 8.845 17.944 -2.296 1.00 0.00 C ATOM 0 HA PRO A 132 9.360 15.735 -4.274 1.00 0.00 H new ATOM 0 HB2 PRO A 132 8.513 18.507 -5.229 1.00 0.00 H new ATOM 0 HB3 PRO A 132 7.552 17.042 -5.203 1.00 0.00 H new ATOM 0 HG2 PRO A 132 7.301 19.023 -3.338 1.00 0.00 H new ATOM 0 HG3 PRO A 132 6.906 17.347 -3.013 1.00 0.00 H new ATOM 0 HD2 PRO A 132 9.100 18.932 -1.913 1.00 0.00 H new ATOM 0 HD3 PRO A 132 8.574 17.330 -1.437 1.00 0.00 H new ATOM 2048 N CYS A 133 11.302 18.080 -5.359 1.00 0.00 N ATOM 2049 CA CYS A 133 12.327 18.390 -6.352 1.00 0.00 C ATOM 2050 C CYS A 133 13.220 17.184 -6.622 1.00 0.00 C ATOM 2051 O CYS A 133 13.362 16.744 -7.763 1.00 0.00 O ATOM 2052 CB CYS A 133 13.177 19.573 -5.885 1.00 0.00 C ATOM 2053 SG CYS A 133 13.807 20.605 -7.229 1.00 0.00 S ATOM 0 H CYS A 133 11.219 18.771 -4.614 1.00 0.00 H new ATOM 0 HA CYS A 133 11.822 18.654 -7.281 1.00 0.00 H new ATOM 0 HB2 CYS A 133 12.581 20.192 -5.214 1.00 0.00 H new ATOM 0 HB3 CYS A 133 14.020 19.195 -5.306 1.00 0.00 H new ATOM 0 HG CYS A 133 14.511 21.579 -6.734 1.00 0.00 H new ATOM 2059 N THR A 134 13.823 16.659 -5.566 1.00 0.00 N ATOM 2060 CA THR A 134 14.709 15.504 -5.683 1.00 0.00 C ATOM 2061 C THR A 134 14.089 14.267 -5.040 1.00 0.00 C ATOM 2062 O THR A 134 14.413 13.137 -5.409 1.00 0.00 O ATOM 2063 CB THR A 134 16.061 15.806 -5.036 1.00 0.00 C ATOM 2064 OG1 THR A 134 15.956 15.789 -3.624 1.00 0.00 O ATOM 2065 CG2 THR A 134 16.628 17.150 -5.437 1.00 0.00 C ATOM 0 H THR A 134 13.716 17.013 -4.615 1.00 0.00 H new ATOM 0 HA THR A 134 14.857 15.300 -6.744 1.00 0.00 H new ATOM 0 HB THR A 134 16.733 15.025 -5.392 1.00 0.00 H new ATOM 0 HG1 THR A 134 16.831 15.983 -3.229 1.00 0.00 H new ATOM 0 HG21 THR A 134 17.588 17.302 -4.943 1.00 0.00 H new ATOM 0 HG22 THR A 134 16.767 17.178 -6.518 1.00 0.00 H new ATOM 0 HG23 THR A 134 15.938 17.939 -5.139 1.00 0.00 H new ATOM 2073 N LYS A 135 13.196 14.485 -4.079 1.00 0.00 N ATOM 2074 CA LYS A 135 12.532 13.383 -3.390 1.00 0.00 C ATOM 2075 C LYS A 135 11.456 12.743 -4.268 1.00 0.00 C ATOM 2076 O LYS A 135 10.856 11.736 -3.889 1.00 0.00 O ATOM 2077 CB LYS A 135 11.914 13.875 -2.079 1.00 0.00 C ATOM 2078 CG LYS A 135 12.944 14.212 -1.012 1.00 0.00 C ATOM 2079 CD LYS A 135 12.565 13.626 0.341 1.00 0.00 C ATOM 2080 CE LYS A 135 13.488 12.484 0.733 1.00 0.00 C ATOM 2081 NZ LYS A 135 13.510 11.408 -0.296 1.00 0.00 N ATOM 0 H LYS A 135 12.916 15.413 -3.760 1.00 0.00 H new ATOM 0 HA LYS A 135 13.284 12.625 -3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 135 11.309 14.759 -2.281 1.00 0.00 H new ATOM 0 HB3 LYS A 135 11.241 13.109 -1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 135 13.919 13.830 -1.314 1.00 0.00 H new ATOM 0 HG3 LYS A 135 13.038 15.295 -0.926 1.00 0.00 H new ATOM 0 HD2 LYS A 135 12.607 14.406 1.101 1.00 0.00 H new ATOM 0 HD3 LYS A 135 11.536 13.268 0.308 1.00 0.00 H new ATOM 0 HE2 LYS A 135 14.498 12.867 0.879 1.00 0.00 H new ATOM 0 HE3 LYS A 135 13.165 12.067 1.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 14.125 10.633 0.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 12.546 11.047 -0.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 13.875 11.791 -1.191 1.00 0.00 H new ATOM 2095 N SER A 136 11.217 13.325 -5.444 1.00 0.00 N ATOM 2096 CA SER A 136 10.215 12.801 -6.367 1.00 0.00 C ATOM 2097 C SER A 136 10.499 11.344 -6.729 1.00 0.00 C ATOM 2098 O SER A 136 9.613 10.631 -7.203 1.00 0.00 O ATOM 2099 CB SER A 136 10.170 13.651 -7.639 1.00 0.00 C ATOM 2100 OG SER A 136 11.474 14.030 -8.045 1.00 0.00 O ATOM 0 H SER A 136 11.703 14.157 -5.777 1.00 0.00 H new ATOM 0 HA SER A 136 9.248 12.846 -5.867 1.00 0.00 H new ATOM 0 HB2 SER A 136 9.685 13.090 -8.438 1.00 0.00 H new ATOM 0 HB3 SER A 136 9.567 14.542 -7.464 1.00 0.00 H new ATOM 0 HG SER A 136 11.702 14.896 -7.647 1.00 0.00 H new ATOM 2106 N TRP A 137 11.735 10.903 -6.503 1.00 0.00 N ATOM 2107 CA TRP A 137 12.128 9.531 -6.809 1.00 0.00 C ATOM 2108 C TRP A 137 11.537 8.536 -5.807 1.00 0.00 C ATOM 2109 O TRP A 137 11.757 7.330 -5.921 1.00 0.00 O ATOM 2110 CB TRP A 137 13.653 9.408 -6.819 1.00 0.00 C ATOM 2111 CG TRP A 137 14.329 10.427 -7.684 1.00 0.00 C ATOM 2112 CD1 TRP A 137 13.775 11.120 -8.722 1.00 0.00 C ATOM 2113 CD2 TRP A 137 15.688 10.868 -7.587 1.00 0.00 C ATOM 2114 NE1 TRP A 137 14.708 11.965 -9.277 1.00 0.00 N ATOM 2115 CE2 TRP A 137 15.889 11.829 -8.597 1.00 0.00 C ATOM 2116 CE3 TRP A 137 16.754 10.545 -6.742 1.00 0.00 C ATOM 2117 CZ2 TRP A 137 17.112 12.467 -8.784 1.00 0.00 C ATOM 2118 CZ3 TRP A 137 17.968 11.180 -6.930 1.00 0.00 C ATOM 2119 CH2 TRP A 137 18.138 12.132 -7.943 1.00 0.00 C ATOM 0 H TRP A 137 12.481 11.477 -6.109 1.00 0.00 H new ATOM 0 HA TRP A 137 11.735 9.290 -7.797 1.00 0.00 H new ATOM 0 HB2 TRP A 137 14.024 9.505 -5.799 1.00 0.00 H new ATOM 0 HB3 TRP A 137 13.927 8.411 -7.164 1.00 0.00 H new ATOM 0 HD1 TRP A 137 12.754 11.019 -9.058 1.00 0.00 H new ATOM 0 HE1 TRP A 137 14.547 12.591 -10.066 1.00 0.00 H new ATOM 0 HE3 TRP A 137 16.632 9.813 -5.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 137 17.246 13.200 -9.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 137 18.799 10.938 -6.285 1.00 0.00 H new ATOM 0 HH2 TRP A 137 19.098 12.611 -8.063 1.00 0.00 H new ATOM 2130 N PHE A 138 10.788 9.041 -4.823 1.00 0.00 N ATOM 2131 CA PHE A 138 10.172 8.187 -3.809 1.00 0.00 C ATOM 2132 C PHE A 138 9.511 6.962 -4.438 1.00 0.00 C ATOM 2133 O PHE A 138 9.427 5.903 -3.816 1.00 0.00 O ATOM 2134 CB PHE A 138 9.140 8.983 -3.005 1.00 0.00 C ATOM 2135 CG PHE A 138 9.636 9.421 -1.658 1.00 0.00 C ATOM 2136 CD1 PHE A 138 10.222 8.512 -0.792 1.00 0.00 C ATOM 2137 CD2 PHE A 138 9.516 10.742 -1.257 1.00 0.00 C ATOM 2138 CE1 PHE A 138 10.679 8.913 0.449 1.00 0.00 C ATOM 2139 CE2 PHE A 138 9.971 11.149 -0.017 1.00 0.00 C ATOM 2140 CZ PHE A 138 10.554 10.232 0.836 1.00 0.00 C ATOM 0 H PHE A 138 10.595 10.036 -4.709 1.00 0.00 H new ATOM 0 HA PHE A 138 10.960 7.840 -3.141 1.00 0.00 H new ATOM 0 HB2 PHE A 138 8.845 9.862 -3.578 1.00 0.00 H new ATOM 0 HB3 PHE A 138 8.246 8.374 -2.873 1.00 0.00 H new ATOM 0 HD1 PHE A 138 10.323 7.479 -1.090 1.00 0.00 H new ATOM 0 HD2 PHE A 138 9.062 11.462 -1.921 1.00 0.00 H new ATOM 0 HE1 PHE A 138 11.134 8.195 1.115 1.00 0.00 H new ATOM 0 HE2 PHE A 138 9.871 12.181 0.284 1.00 0.00 H new ATOM 0 HZ PHE A 138 10.912 10.547 1.805 1.00 0.00 H new ATOM 2150 N TRP A 139 9.046 7.115 -5.675 1.00 0.00 N ATOM 2151 CA TRP A 139 8.395 6.020 -6.388 1.00 0.00 C ATOM 2152 C TRP A 139 9.304 4.796 -6.450 1.00 0.00 C ATOM 2153 O TRP A 139 8.864 3.670 -6.216 1.00 0.00 O ATOM 2154 CB TRP A 139 8.015 6.458 -7.803 1.00 0.00 C ATOM 2155 CG TRP A 139 6.823 7.363 -7.846 1.00 0.00 C ATOM 2156 CD1 TRP A 139 5.638 7.190 -7.190 1.00 0.00 C ATOM 2157 CD2 TRP A 139 6.696 8.582 -8.589 1.00 0.00 C ATOM 2158 NE1 TRP A 139 4.783 8.226 -7.478 1.00 0.00 N ATOM 2159 CE2 TRP A 139 5.409 9.093 -8.334 1.00 0.00 C ATOM 2160 CE3 TRP A 139 7.546 9.290 -9.443 1.00 0.00 C ATOM 2161 CZ2 TRP A 139 4.954 10.280 -8.904 1.00 0.00 C ATOM 2162 CZ3 TRP A 139 7.092 10.467 -10.007 1.00 0.00 C ATOM 2163 CH2 TRP A 139 5.807 10.952 -9.735 1.00 0.00 C ATOM 0 H TRP A 139 9.108 7.985 -6.204 1.00 0.00 H new ATOM 0 HA TRP A 139 7.490 5.753 -5.843 1.00 0.00 H new ATOM 0 HB2 TRP A 139 8.865 6.967 -8.258 1.00 0.00 H new ATOM 0 HB3 TRP A 139 7.812 5.574 -8.407 1.00 0.00 H new ATOM 0 HD1 TRP A 139 5.407 6.360 -6.539 1.00 0.00 H new ATOM 0 HE1 TRP A 139 3.836 8.332 -7.114 1.00 0.00 H new ATOM 0 HE3 TRP A 139 8.539 8.924 -9.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 3.963 10.656 -8.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 7.740 11.022 -10.669 1.00 0.00 H new ATOM 0 HH2 TRP A 139 5.483 11.876 -10.191 1.00 0.00 H new ATOM 2174 N THR A 140 10.576 5.025 -6.761 1.00 0.00 N ATOM 2175 CA THR A 140 11.548 3.944 -6.849 1.00 0.00 C ATOM 2176 C THR A 140 11.709 3.250 -5.501 1.00 0.00 C ATOM 2177 O THR A 140 11.852 2.030 -5.432 1.00 0.00 O ATOM 2178 CB THR A 140 12.898 4.479 -7.327 1.00 0.00 C ATOM 2179 OG1 THR A 140 12.725 5.388 -8.399 1.00 0.00 O ATOM 2180 CG2 THR A 140 13.843 3.393 -7.793 1.00 0.00 C ATOM 0 H THR A 140 10.957 5.951 -6.956 1.00 0.00 H new ATOM 0 HA THR A 140 11.181 3.215 -7.572 1.00 0.00 H new ATOM 0 HB THR A 140 13.337 4.970 -6.459 1.00 0.00 H new ATOM 0 HG1 THR A 140 13.600 5.721 -8.690 1.00 0.00 H new ATOM 0 HG21 THR A 140 14.781 3.842 -8.118 1.00 0.00 H new ATOM 0 HG22 THR A 140 14.037 2.702 -6.972 1.00 0.00 H new ATOM 0 HG23 THR A 140 13.393 2.851 -8.625 1.00 0.00 H new ATOM 2188 N ARG A 141 11.682 4.037 -4.430 1.00 0.00 N ATOM 2189 CA ARG A 141 11.822 3.500 -3.082 1.00 0.00 C ATOM 2190 C ARG A 141 10.709 2.501 -2.780 1.00 0.00 C ATOM 2191 O ARG A 141 10.958 1.416 -2.255 1.00 0.00 O ATOM 2192 CB ARG A 141 11.802 4.631 -2.053 1.00 0.00 C ATOM 2193 CG ARG A 141 13.167 5.253 -1.807 1.00 0.00 C ATOM 2194 CD ARG A 141 13.412 5.498 -0.326 1.00 0.00 C ATOM 2195 NE ARG A 141 14.366 6.581 -0.100 1.00 0.00 N ATOM 2196 CZ ARG A 141 15.678 6.464 -0.294 1.00 0.00 C ATOM 2197 NH1 ARG A 141 16.195 5.317 -0.716 1.00 0.00 N ATOM 2198 NH2 ARG A 141 16.476 7.499 -0.064 1.00 0.00 N ATOM 0 H ARG A 141 11.564 5.049 -4.470 1.00 0.00 H new ATOM 0 HA ARG A 141 12.779 2.983 -3.021 1.00 0.00 H new ATOM 0 HB2 ARG A 141 11.114 5.406 -2.391 1.00 0.00 H new ATOM 0 HB3 ARG A 141 11.412 4.247 -1.111 1.00 0.00 H new ATOM 0 HG2 ARG A 141 13.943 4.597 -2.201 1.00 0.00 H new ATOM 0 HG3 ARG A 141 13.241 6.196 -2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 141 12.468 5.739 0.162 1.00 0.00 H new ATOM 0 HD3 ARG A 141 13.785 4.584 0.136 1.00 0.00 H new ATOM 0 HE ARG A 141 14.006 7.478 0.225 1.00 0.00 H new ATOM 0 HH11 ARG A 141 15.586 4.518 -0.894 1.00 0.00 H new ATOM 0 HH12 ARG A 141 17.201 5.234 -0.863 1.00 0.00 H new ATOM 0 HH21 ARG A 141 16.084 8.383 0.261 1.00 0.00 H new ATOM 0 HH22 ARG A 141 17.481 7.411 -0.212 1.00 0.00 H new ATOM 2212 N LEU A 142 9.479 2.876 -3.121 1.00 0.00 N ATOM 2213 CA LEU A 142 8.326 2.015 -2.890 1.00 0.00 C ATOM 2214 C LEU A 142 8.294 0.876 -3.904 1.00 0.00 C ATOM 2215 O LEU A 142 7.898 -0.244 -3.583 1.00 0.00 O ATOM 2216 CB LEU A 142 7.031 2.825 -2.973 1.00 0.00 C ATOM 2217 CG LEU A 142 5.836 2.212 -2.241 1.00 0.00 C ATOM 2218 CD1 LEU A 142 6.177 1.963 -0.780 1.00 0.00 C ATOM 2219 CD2 LEU A 142 4.618 3.116 -2.359 1.00 0.00 C ATOM 0 H LEU A 142 9.257 3.770 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 142 8.413 1.589 -1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 142 7.216 3.819 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 142 6.768 2.954 -4.023 1.00 0.00 H new ATOM 0 HG LEU A 142 5.600 1.255 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 142 5.315 1.527 -0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 142 7.021 1.277 -0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 142 6.439 2.907 -0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 142 3.777 2.664 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 142 4.842 4.088 -1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 142 4.361 3.245 -3.410 1.00 0.00 H new ATOM 2231 N ALA A 143 8.714 1.173 -5.129 1.00 0.00 N ATOM 2232 CA ALA A 143 8.736 0.175 -6.192 1.00 0.00 C ATOM 2233 C ALA A 143 9.620 -1.006 -5.814 1.00 0.00 C ATOM 2234 O ALA A 143 9.291 -2.158 -6.100 1.00 0.00 O ATOM 2235 CB ALA A 143 9.216 0.805 -7.492 1.00 0.00 C ATOM 0 H ALA A 143 9.044 2.096 -5.410 1.00 0.00 H new ATOM 0 HA ALA A 143 7.721 -0.197 -6.334 1.00 0.00 H new ATOM 0 HB1 ALA A 143 9.229 0.051 -8.279 1.00 0.00 H new ATOM 0 HB2 ALA A 143 8.542 1.614 -7.775 1.00 0.00 H new ATOM 0 HB3 ALA A 143 10.222 1.202 -7.354 1.00 0.00 H new ATOM 2241 N LYS A 144 10.741 -0.714 -5.163 1.00 0.00 N ATOM 2242 CA LYS A 144 11.674 -1.752 -4.739 1.00 0.00 C ATOM 2243 C LYS A 144 11.291 -2.300 -3.366 1.00 0.00 C ATOM 2244 O LYS A 144 11.654 -3.422 -3.011 1.00 0.00 O ATOM 2245 CB LYS A 144 13.101 -1.200 -4.701 1.00 0.00 C ATOM 2246 CG LYS A 144 13.301 -0.102 -3.668 1.00 0.00 C ATOM 2247 CD LYS A 144 14.633 -0.248 -2.949 1.00 0.00 C ATOM 2248 CE LYS A 144 14.638 -1.455 -2.024 1.00 0.00 C ATOM 2249 NZ LYS A 144 15.967 -1.660 -1.386 1.00 0.00 N ATOM 0 H LYS A 144 11.026 0.234 -4.917 1.00 0.00 H new ATOM 0 HA LYS A 144 11.626 -2.566 -5.462 1.00 0.00 H new ATOM 0 HB2 LYS A 144 13.792 -2.016 -4.490 1.00 0.00 H new ATOM 0 HB3 LYS A 144 13.358 -0.812 -5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 144 13.255 0.871 -4.157 1.00 0.00 H new ATOM 0 HG3 LYS A 144 12.489 -0.132 -2.941 1.00 0.00 H new ATOM 0 HD2 LYS A 144 15.434 -0.346 -3.682 1.00 0.00 H new ATOM 0 HD3 LYS A 144 14.837 0.654 -2.373 1.00 0.00 H new ATOM 0 HE2 LYS A 144 13.881 -1.323 -1.251 1.00 0.00 H new ATOM 0 HE3 LYS A 144 14.365 -2.346 -2.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 15.929 -2.492 -0.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 16.686 -1.811 -2.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 16.217 -0.820 -0.826 1.00 0.00 H new ATOM 2263 N ALA A 145 10.556 -1.500 -2.598 1.00 0.00 N ATOM 2264 CA ALA A 145 10.122 -1.904 -1.267 1.00 0.00 C ATOM 2265 C ALA A 145 8.877 -2.784 -1.334 1.00 0.00 C ATOM 2266 O ALA A 145 8.488 -3.401 -0.341 1.00 0.00 O ATOM 2267 CB ALA A 145 9.856 -0.678 -0.405 1.00 0.00 C ATOM 0 H ALA A 145 10.249 -0.568 -2.876 1.00 0.00 H new ATOM 0 HA ALA A 145 10.923 -2.489 -0.815 1.00 0.00 H new ATOM 0 HB1 ALA A 145 9.532 -0.994 0.587 1.00 0.00 H new ATOM 0 HB2 ALA A 145 10.769 -0.089 -0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 145 9.076 -0.072 -0.865 1.00 0.00 H new ATOM 2273 N LEU A 146 8.256 -2.838 -2.508 1.00 0.00 N ATOM 2274 CA LEU A 146 7.057 -3.641 -2.701 1.00 0.00 C ATOM 2275 C LEU A 146 7.394 -5.016 -3.277 1.00 0.00 C ATOM 2276 O LEU A 146 6.498 -5.822 -3.528 1.00 0.00 O ATOM 2277 CB LEU A 146 6.080 -2.910 -3.627 1.00 0.00 C ATOM 2278 CG LEU A 146 4.977 -2.113 -2.924 1.00 0.00 C ATOM 2279 CD1 LEU A 146 5.547 -1.306 -1.766 1.00 0.00 C ATOM 2280 CD2 LEU A 146 4.272 -1.198 -3.915 1.00 0.00 C ATOM 0 H LEU A 146 8.565 -2.334 -3.340 1.00 0.00 H new ATOM 0 HA LEU A 146 6.591 -3.789 -1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 146 6.648 -2.229 -4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 146 5.612 -3.643 -4.284 1.00 0.00 H new ATOM 0 HG LEU A 146 4.249 -2.817 -2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 146 4.745 -0.748 -1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 146 6.007 -1.981 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 146 6.297 -0.610 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 146 3.491 -0.638 -3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 146 4.993 -0.503 -4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 146 3.826 -1.797 -4.709 1.00 0.00 H new ATOM 2292 N SER A 147 8.681 -5.282 -3.494 1.00 0.00 N ATOM 2293 CA SER A 147 9.103 -6.562 -4.049 1.00 0.00 C ATOM 2294 C SER A 147 10.459 -7.001 -3.499 1.00 0.00 C ATOM 2295 O SER A 147 11.203 -7.715 -4.171 1.00 0.00 O ATOM 2296 CB SER A 147 9.166 -6.480 -5.576 1.00 0.00 C ATOM 2297 OG SER A 147 8.133 -5.655 -6.084 1.00 0.00 O ATOM 0 H SER A 147 9.442 -4.633 -3.295 1.00 0.00 H new ATOM 0 HA SER A 147 8.364 -7.307 -3.752 1.00 0.00 H new ATOM 0 HB2 SER A 147 10.135 -6.086 -5.883 1.00 0.00 H new ATOM 0 HB3 SER A 147 9.080 -7.480 -6.001 1.00 0.00 H new ATOM 0 HG SER A 147 8.195 -5.617 -7.061 1.00 0.00 H new