USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 832 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 104 CYS SG : rot 32:sc= 0.264 USER MOD Set 1.2: A 107 CYS SG : rot -41:sc= 1.55 USER MOD Set 2.1: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 94 THR OG1 : rot -35:sc= 0.0547 USER MOD Set 2.3: A 97 THR OG1 : rot 180:sc= 0.531 USER MOD Set 3.1: A 26 THR OG1 : rot -81:sc= 1.52 USER MOD Set 3.2: A 51 SER OG : rot -33:sc= 0.293 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.323 USER MOD Single : A 13 GLN : amide:sc= -0.0008 X(o=-0.0008,f=-0.2) USER MOD Single : A 17 ASN : amide:sc= -0.0251 K(o=-0.025,f=-0.62) USER MOD Single : A 19 SER OG : rot 8:sc= 0.2 USER MOD Single : A 22 ASN : amide:sc= -0.0628 X(o=-0.063,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 6:sc= -0.801 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.994 K(o=0.99,f=-7.1!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0483 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.604 K(o=-0.6,f=-3.4!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl 140:sc= -1.27 (180deg=-1.71) USER MOD Single : A 40 THR OG1 : rot 132:sc= 0.164 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 50:sc= 0.192 USER MOD Single : A 59 ASN : amide:sc= 1.19 K(o=1.2,f=-0.015) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= -0.949 K(o=-0.95,f=-4.4!) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.0303 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.104 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 157:sc= 1.49 (180deg=1.06) USER MOD Single : A 88 HIS : no HD1:sc= -0.458 K(o=-0.46,f=-2.2) USER MOD Single : A 90 ASN : amide:sc= 0.178 X(o=0.18,f=-0.27) USER MOD Single : A 91 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.0034) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0.828 K(o=0.83,f=-2.2!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 85 N PRO A 6 -14.796 -11.006 3.156 1.00 0.00 N ATOM 86 CA PRO A 6 -13.591 -10.201 3.233 1.00 0.00 C ATOM 87 C PRO A 6 -13.630 -9.314 4.479 1.00 0.00 C ATOM 88 O PRO A 6 -14.713 -8.931 4.928 1.00 0.00 O ATOM 89 CB PRO A 6 -13.584 -9.400 1.931 1.00 0.00 C ATOM 90 CG PRO A 6 -15.063 -9.142 1.675 1.00 0.00 C ATOM 91 CD PRO A 6 -15.745 -10.402 2.228 1.00 0.00 C ATOM 0 HA PRO A 6 -12.679 -10.789 3.330 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.025 -8.470 2.033 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.126 -9.960 1.116 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -15.408 -8.242 2.184 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -15.269 -9.006 0.613 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -16.677 -10.150 2.734 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -15.996 -11.093 1.424 1.00 0.00 H new ATOM 99 N ILE A 7 -12.457 -8.951 5.010 1.00 0.00 N ATOM 100 CA ILE A 7 -12.271 -8.490 6.394 1.00 0.00 C ATOM 101 C ILE A 7 -12.664 -7.018 6.590 1.00 0.00 C ATOM 102 O ILE A 7 -11.890 -6.170 7.028 1.00 0.00 O ATOM 103 CB ILE A 7 -10.846 -8.831 6.894 1.00 0.00 C ATOM 104 CG1 ILE A 7 -10.512 -10.333 6.748 1.00 0.00 C ATOM 105 CG2 ILE A 7 -10.736 -8.406 8.372 1.00 0.00 C ATOM 106 CD1 ILE A 7 -9.010 -10.624 6.881 1.00 0.00 C ATOM 0 H ILE A 7 -11.588 -8.970 4.477 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.967 -9.039 7.028 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.127 -8.290 6.279 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -11.055 -10.897 7.506 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -10.861 -10.686 5.778 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.738 -8.638 8.744 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.915 -7.334 8.457 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.477 -8.945 8.962 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -8.835 -11.694 6.770 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -8.465 -10.085 6.106 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.662 -10.300 7.862 1.00 0.00 H new ATOM 118 N ASP A 8 -13.905 -6.684 6.293 1.00 0.00 N ATOM 119 CA ASP A 8 -14.323 -5.314 6.046 1.00 0.00 C ATOM 120 C ASP A 8 -13.446 -4.630 4.992 1.00 0.00 C ATOM 121 O ASP A 8 -13.161 -3.435 5.058 1.00 0.00 O ATOM 122 CB ASP A 8 -14.502 -4.512 7.343 1.00 0.00 C ATOM 123 CG ASP A 8 -15.828 -3.757 7.263 1.00 0.00 C ATOM 124 OD1 ASP A 8 -16.125 -3.148 6.209 1.00 0.00 O ATOM 125 OD2 ASP A 8 -16.648 -3.886 8.199 1.00 0.00 O ATOM 0 H ASP A 8 -14.662 -7.363 6.215 1.00 0.00 H new ATOM 0 HA ASP A 8 -15.320 -5.349 5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.497 -5.179 8.205 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.675 -3.814 7.475 1.00 0.00 H new ATOM 130 N LEU A 9 -12.939 -5.425 4.043 1.00 0.00 N ATOM 131 CA LEU A 9 -12.188 -4.948 2.903 1.00 0.00 C ATOM 132 C LEU A 9 -13.177 -4.501 1.837 1.00 0.00 C ATOM 133 O LEU A 9 -14.093 -5.234 1.455 1.00 0.00 O ATOM 134 CB LEU A 9 -11.276 -6.056 2.374 1.00 0.00 C ATOM 135 CG LEU A 9 -9.926 -5.536 1.854 1.00 0.00 C ATOM 136 CD1 LEU A 9 -9.227 -6.723 1.232 1.00 0.00 C ATOM 137 CD2 LEU A 9 -9.990 -4.496 0.742 1.00 0.00 C ATOM 0 H LEU A 9 -13.048 -6.439 4.057 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.555 -4.108 3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.097 -6.780 3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.788 -6.585 1.570 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.439 -5.066 2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.257 -6.412 0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.084 -7.497 1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.835 -7.117 0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.979 -4.205 0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.503 -4.918 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.534 -3.620 1.094 1.00 0.00 H new ATOM 149 N VAL A 10 -12.955 -3.301 1.328 1.00 0.00 N ATOM 150 CA VAL A 10 -13.869 -2.597 0.439 1.00 0.00 C ATOM 151 C VAL A 10 -13.053 -1.810 -0.588 1.00 0.00 C ATOM 152 O VAL A 10 -12.053 -1.179 -0.235 1.00 0.00 O ATOM 153 CB VAL A 10 -14.857 -1.684 1.211 1.00 0.00 C ATOM 154 CG1 VAL A 10 -16.226 -2.361 1.325 1.00 0.00 C ATOM 155 CG2 VAL A 10 -14.421 -1.299 2.629 1.00 0.00 C ATOM 0 H VAL A 10 -12.107 -2.771 1.528 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.489 -3.330 -0.078 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.889 -0.768 0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -16.910 -1.710 1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.622 -2.551 0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -16.122 -3.305 1.860 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.179 -0.661 3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.299 -2.200 3.230 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.474 -0.762 2.585 1.00 0.00 H new ATOM 165 N PRO A 11 -13.424 -1.861 -1.874 1.00 0.00 N ATOM 166 CA PRO A 11 -12.738 -1.119 -2.913 1.00 0.00 C ATOM 167 C PRO A 11 -13.203 0.339 -2.903 1.00 0.00 C ATOM 168 O PRO A 11 -14.385 0.627 -2.703 1.00 0.00 O ATOM 169 CB PRO A 11 -13.105 -1.842 -4.198 1.00 0.00 C ATOM 170 CG PRO A 11 -14.495 -2.415 -3.935 1.00 0.00 C ATOM 171 CD PRO A 11 -14.548 -2.605 -2.422 1.00 0.00 C ATOM 0 HA PRO A 11 -11.656 -1.082 -2.783 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.112 -1.160 -5.048 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.388 -2.630 -4.428 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.276 -1.736 -4.278 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.641 -3.359 -4.459 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.491 -2.237 -2.017 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.479 -3.661 -2.161 1.00 0.00 H new ATOM 179 N THR A 12 -12.286 1.264 -3.164 1.00 0.00 N ATOM 180 CA THR A 12 -12.514 2.706 -3.105 1.00 0.00 C ATOM 181 C THR A 12 -11.844 3.322 -4.350 1.00 0.00 C ATOM 182 O THR A 12 -11.686 2.630 -5.362 1.00 0.00 O ATOM 183 CB THR A 12 -12.080 3.238 -1.711 1.00 0.00 C ATOM 184 OG1 THR A 12 -12.162 4.645 -1.566 1.00 0.00 O ATOM 185 CG2 THR A 12 -10.638 2.860 -1.387 1.00 0.00 C ATOM 0 H THR A 12 -11.331 1.024 -3.431 1.00 0.00 H new ATOM 0 HA THR A 12 -13.562 3.001 -3.165 1.00 0.00 H new ATOM 0 HB THR A 12 -12.790 2.767 -1.031 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.874 4.898 -0.664 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.372 3.250 -0.405 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.538 1.775 -1.386 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.973 3.285 -2.139 1.00 0.00 H new ATOM 193 N GLN A 13 -11.503 4.608 -4.308 1.00 0.00 N ATOM 194 CA GLN A 13 -10.900 5.382 -5.386 1.00 0.00 C ATOM 195 C GLN A 13 -9.557 5.966 -4.920 1.00 0.00 C ATOM 196 O GLN A 13 -9.318 6.024 -3.706 1.00 0.00 O ATOM 197 CB GLN A 13 -11.906 6.466 -5.829 1.00 0.00 C ATOM 198 CG GLN A 13 -12.179 7.559 -4.773 1.00 0.00 C ATOM 199 CD GLN A 13 -13.652 7.933 -4.600 1.00 0.00 C ATOM 200 OE1 GLN A 13 -14.470 7.865 -5.519 1.00 0.00 O ATOM 201 NE2 GLN A 13 -14.038 8.353 -3.404 1.00 0.00 N ATOM 0 H GLN A 13 -11.650 5.169 -3.469 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.681 4.753 -6.249 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -11.532 6.941 -6.736 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.849 5.984 -6.087 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.790 7.221 -3.813 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -11.621 8.455 -5.046 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -13.363 8.410 -2.641 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.010 8.619 -3.246 1.00 0.00 H new ATOM 210 N PRO A 14 -8.679 6.409 -5.836 1.00 0.00 N ATOM 211 CA PRO A 14 -7.507 7.210 -5.502 1.00 0.00 C ATOM 212 C PRO A 14 -7.923 8.653 -5.185 1.00 0.00 C ATOM 213 O PRO A 14 -9.078 9.052 -5.384 1.00 0.00 O ATOM 214 CB PRO A 14 -6.621 7.156 -6.754 1.00 0.00 C ATOM 215 CG PRO A 14 -7.651 7.074 -7.880 1.00 0.00 C ATOM 216 CD PRO A 14 -8.759 6.209 -7.275 1.00 0.00 C ATOM 0 HA PRO A 14 -6.984 6.836 -4.621 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.990 8.040 -6.844 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.958 6.291 -6.746 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.019 8.060 -8.162 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.231 6.621 -8.778 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.737 6.503 -7.657 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.619 5.159 -7.532 1.00 0.00 H new ATOM 224 N LEU A 15 -6.959 9.473 -4.768 1.00 0.00 N ATOM 225 CA LEU A 15 -7.108 10.915 -4.713 1.00 0.00 C ATOM 226 C LEU A 15 -7.134 11.510 -6.137 1.00 0.00 C ATOM 227 O LEU A 15 -6.790 10.821 -7.105 1.00 0.00 O ATOM 228 CB LEU A 15 -5.941 11.470 -3.871 1.00 0.00 C ATOM 229 CG LEU A 15 -6.119 11.410 -2.338 1.00 0.00 C ATOM 230 CD1 LEU A 15 -5.080 12.356 -1.739 1.00 0.00 C ATOM 231 CD2 LEU A 15 -7.478 11.907 -1.829 1.00 0.00 C ATOM 0 H LEU A 15 -6.045 9.145 -4.457 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.053 11.194 -4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.037 10.920 -4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.776 12.509 -4.157 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.022 10.363 -2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.165 12.349 -0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.081 12.028 -2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.251 13.366 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.511 11.827 -0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.617 12.948 -2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.273 11.299 -2.262 1.00 0.00 H new ATOM 243 N PRO A 16 -7.547 12.790 -6.252 1.00 0.00 N ATOM 244 CA PRO A 16 -7.648 13.589 -7.464 1.00 0.00 C ATOM 245 C PRO A 16 -6.254 14.001 -7.947 1.00 0.00 C ATOM 246 O PRO A 16 -5.337 13.177 -7.990 1.00 0.00 O ATOM 247 CB PRO A 16 -8.678 14.689 -7.162 1.00 0.00 C ATOM 248 CG PRO A 16 -8.483 14.961 -5.682 1.00 0.00 C ATOM 249 CD PRO A 16 -7.824 13.700 -5.130 1.00 0.00 C ATOM 0 HA PRO A 16 -8.026 13.057 -8.337 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.499 15.582 -7.761 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.694 14.358 -7.379 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.854 15.837 -5.522 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.435 15.157 -5.188 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.900 13.952 -4.609 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.478 13.218 -4.403 1.00 0.00 H new ATOM 257 N ASN A 17 -6.157 15.169 -8.590 1.00 0.00 N ATOM 258 CA ASN A 17 -4.975 16.041 -8.784 1.00 0.00 C ATOM 259 C ASN A 17 -3.998 16.132 -7.583 1.00 0.00 C ATOM 260 O ASN A 17 -3.443 17.187 -7.281 1.00 0.00 O ATOM 261 CB ASN A 17 -5.480 17.452 -9.164 1.00 0.00 C ATOM 262 CG ASN A 17 -6.516 17.985 -8.193 1.00 0.00 C ATOM 263 OD1 ASN A 17 -7.707 17.833 -8.436 1.00 0.00 O ATOM 264 ND2 ASN A 17 -6.121 18.528 -7.063 1.00 0.00 N ATOM 0 H ASN A 17 -6.981 15.575 -9.034 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.382 15.582 -9.575 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -4.634 18.139 -9.199 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.909 17.422 -10.166 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.810 18.830 -6.374 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.126 18.648 -6.875 1.00 0.00 H new ATOM 271 N ALA A 18 -3.799 15.048 -6.856 1.00 0.00 N ATOM 272 CA ALA A 18 -2.723 14.778 -5.925 1.00 0.00 C ATOM 273 C ALA A 18 -1.427 14.479 -6.684 1.00 0.00 C ATOM 274 O ALA A 18 -1.457 14.253 -7.899 1.00 0.00 O ATOM 275 CB ALA A 18 -3.161 13.572 -5.099 1.00 0.00 C ATOM 0 H ALA A 18 -4.448 14.263 -6.909 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.526 15.637 -5.283 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.383 13.324 -4.377 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.084 13.809 -4.570 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.329 12.721 -5.759 1.00 0.00 H new ATOM 281 N SER A 19 -0.314 14.401 -5.953 1.00 0.00 N ATOM 282 CA SER A 19 0.997 13.988 -6.439 1.00 0.00 C ATOM 283 C SER A 19 1.758 13.499 -5.218 1.00 0.00 C ATOM 284 O SER A 19 1.526 13.981 -4.105 1.00 0.00 O ATOM 285 CB SER A 19 1.800 15.141 -7.067 1.00 0.00 C ATOM 286 OG SER A 19 1.247 15.598 -8.294 1.00 0.00 O ATOM 0 H SER A 19 -0.305 14.636 -4.960 1.00 0.00 H new ATOM 0 HA SER A 19 0.866 13.233 -7.214 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.844 15.972 -6.363 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.825 14.812 -7.237 1.00 0.00 H new ATOM 0 HG SER A 19 0.381 15.164 -8.445 1.00 0.00 H new ATOM 292 N PHE A 20 2.687 12.572 -5.413 1.00 0.00 N ATOM 293 CA PHE A 20 3.635 12.184 -4.402 1.00 0.00 C ATOM 294 C PHE A 20 4.402 13.414 -3.945 1.00 0.00 C ATOM 295 O PHE A 20 4.610 14.367 -4.703 1.00 0.00 O ATOM 296 CB PHE A 20 4.597 11.129 -4.959 1.00 0.00 C ATOM 297 CG PHE A 20 5.598 10.625 -3.950 1.00 0.00 C ATOM 298 CD1 PHE A 20 5.160 10.014 -2.759 1.00 0.00 C ATOM 299 CD2 PHE A 20 6.970 10.815 -4.183 1.00 0.00 C ATOM 300 CE1 PHE A 20 6.101 9.584 -1.808 1.00 0.00 C ATOM 301 CE2 PHE A 20 7.905 10.410 -3.223 1.00 0.00 C ATOM 302 CZ PHE A 20 7.472 9.792 -2.039 1.00 0.00 C ATOM 0 H PHE A 20 2.796 12.068 -6.293 1.00 0.00 H new ATOM 0 HA PHE A 20 3.109 11.750 -3.552 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.018 10.285 -5.335 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.133 11.552 -5.809 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.104 9.876 -2.577 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.303 11.273 -5.102 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.772 9.095 -0.903 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.959 10.573 -3.393 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.195 9.475 -1.302 1.00 0.00 H new ATOM 312 N ASP A 21 4.819 13.382 -2.692 1.00 0.00 N ATOM 313 CA ASP A 21 5.587 14.417 -2.044 1.00 0.00 C ATOM 314 C ASP A 21 6.500 13.700 -1.045 1.00 0.00 C ATOM 315 O ASP A 21 6.374 12.487 -0.885 1.00 0.00 O ATOM 316 CB ASP A 21 4.642 15.431 -1.381 1.00 0.00 C ATOM 317 CG ASP A 21 5.356 16.757 -1.157 1.00 0.00 C ATOM 318 OD1 ASP A 21 6.143 16.844 -0.184 1.00 0.00 O ATOM 319 OD2 ASP A 21 5.200 17.655 -2.002 1.00 0.00 O ATOM 0 H ASP A 21 4.619 12.595 -2.074 1.00 0.00 H new ATOM 0 HA ASP A 21 6.193 14.995 -2.742 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.765 15.585 -2.010 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.286 15.037 -0.429 1.00 0.00 H new ATOM 324 N ASN A 22 7.396 14.406 -0.365 1.00 0.00 N ATOM 325 CA ASN A 22 8.559 13.885 0.354 1.00 0.00 C ATOM 326 C ASN A 22 8.291 12.900 1.502 1.00 0.00 C ATOM 327 O ASN A 22 9.228 12.595 2.241 1.00 0.00 O ATOM 328 CB ASN A 22 9.385 15.081 0.870 1.00 0.00 C ATOM 329 CG ASN A 22 10.543 15.391 -0.050 1.00 0.00 C ATOM 330 OD1 ASN A 22 10.493 16.327 -0.839 1.00 0.00 O ATOM 331 ND2 ASN A 22 11.590 14.594 0.023 1.00 0.00 N ATOM 0 H ASN A 22 7.328 15.421 -0.295 1.00 0.00 H new ATOM 0 HA ASN A 22 9.095 13.279 -0.376 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.743 15.958 0.957 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.761 14.861 1.869 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.391 14.747 -0.589 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.599 13.824 0.692 1.00 0.00 H new ATOM 338 N PHE A 23 7.068 12.429 1.751 1.00 0.00 N ATOM 339 CA PHE A 23 6.860 11.393 2.752 1.00 0.00 C ATOM 340 C PHE A 23 7.554 10.096 2.334 1.00 0.00 C ATOM 341 O PHE A 23 7.778 9.825 1.155 1.00 0.00 O ATOM 342 CB PHE A 23 5.371 11.174 3.052 1.00 0.00 C ATOM 343 CG PHE A 23 4.558 10.414 2.021 1.00 0.00 C ATOM 344 CD1 PHE A 23 3.884 11.115 1.005 1.00 0.00 C ATOM 345 CD2 PHE A 23 4.382 9.019 2.141 1.00 0.00 C ATOM 346 CE1 PHE A 23 3.015 10.434 0.137 1.00 0.00 C ATOM 347 CE2 PHE A 23 3.510 8.339 1.272 1.00 0.00 C ATOM 348 CZ PHE A 23 2.814 9.050 0.281 1.00 0.00 C ATOM 0 H PHE A 23 6.221 12.745 1.279 1.00 0.00 H new ATOM 0 HA PHE A 23 7.314 11.732 3.683 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.293 10.644 4.001 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.908 12.151 3.193 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.035 12.178 0.892 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.918 8.472 2.902 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.500 10.975 -0.643 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.376 7.272 1.367 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.124 8.534 -0.370 1.00 0.00 H new ATOM 358 N LYS A 24 7.842 9.252 3.317 1.00 0.00 N ATOM 359 CA LYS A 24 8.351 7.905 3.140 1.00 0.00 C ATOM 360 C LYS A 24 7.333 6.957 3.735 1.00 0.00 C ATOM 361 O LYS A 24 6.563 7.336 4.625 1.00 0.00 O ATOM 362 CB LYS A 24 9.710 7.797 3.847 1.00 0.00 C ATOM 363 CG LYS A 24 10.425 6.473 3.593 1.00 0.00 C ATOM 364 CD LYS A 24 11.693 6.252 4.412 1.00 0.00 C ATOM 365 CE LYS A 24 12.310 5.034 3.720 1.00 0.00 C ATOM 366 NZ LYS A 24 13.276 4.284 4.533 1.00 0.00 N ATOM 0 H LYS A 24 7.721 9.501 4.299 1.00 0.00 H new ATOM 0 HA LYS A 24 8.500 7.656 2.089 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.349 8.615 3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.563 7.922 4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.731 5.658 3.800 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.680 6.413 2.535 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.355 7.118 4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.472 6.057 5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.508 4.359 3.421 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.805 5.365 2.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.641 3.479 3.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.065 4.908 4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.808 3.933 5.393 1.00 0.00 H new ATOM 380 N LEU A 25 7.393 5.702 3.315 1.00 0.00 N ATOM 381 CA LEU A 25 6.710 4.604 3.985 1.00 0.00 C ATOM 382 C LEU A 25 7.758 3.578 4.376 1.00 0.00 C ATOM 383 O LEU A 25 8.458 3.045 3.524 1.00 0.00 O ATOM 384 CB LEU A 25 5.528 4.047 3.165 1.00 0.00 C ATOM 385 CG LEU A 25 5.581 4.194 1.630 1.00 0.00 C ATOM 386 CD1 LEU A 25 6.650 3.332 0.964 1.00 0.00 C ATOM 387 CD2 LEU A 25 4.245 3.787 1.022 1.00 0.00 C ATOM 0 H LEU A 25 7.922 5.414 2.492 1.00 0.00 H new ATOM 0 HA LEU A 25 6.223 4.955 4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.431 2.986 3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.618 4.534 3.516 1.00 0.00 H new ATOM 0 HG LEU A 25 5.820 5.242 1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.625 3.490 -0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.632 3.608 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.458 2.281 1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.291 3.894 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.031 2.749 1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.456 4.427 1.416 1.00 0.00 H new ATOM 399 N THR A 26 7.941 3.355 5.671 1.00 0.00 N ATOM 400 CA THR A 26 8.689 2.215 6.171 1.00 0.00 C ATOM 401 C THR A 26 7.724 1.019 6.186 1.00 0.00 C ATOM 402 O THR A 26 6.522 1.183 5.960 1.00 0.00 O ATOM 403 CB THR A 26 9.298 2.530 7.553 1.00 0.00 C ATOM 404 OG1 THR A 26 8.325 2.543 8.575 1.00 0.00 O ATOM 405 CG2 THR A 26 10.052 3.867 7.619 1.00 0.00 C ATOM 0 H THR A 26 7.573 3.962 6.403 1.00 0.00 H new ATOM 0 HA THR A 26 9.540 1.975 5.533 1.00 0.00 H new ATOM 0 HB THR A 26 10.010 1.720 7.707 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.857 3.404 8.570 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.449 4.012 8.624 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.873 3.857 6.903 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.370 4.682 7.377 1.00 0.00 H new ATOM 413 N CYS A 27 8.211 -0.187 6.454 1.00 0.00 N ATOM 414 CA CYS A 27 7.434 -1.410 6.625 1.00 0.00 C ATOM 415 C CYS A 27 8.356 -2.384 7.385 1.00 0.00 C ATOM 416 O CYS A 27 9.580 -2.223 7.339 1.00 0.00 O ATOM 417 CB CYS A 27 7.138 -2.008 5.242 1.00 0.00 C ATOM 418 SG CYS A 27 6.233 -1.030 4.003 1.00 0.00 S ATOM 0 H CYS A 27 9.212 -0.347 6.564 1.00 0.00 H new ATOM 0 HA CYS A 27 6.496 -1.227 7.150 1.00 0.00 H new ATOM 0 HB2 CYS A 27 8.094 -2.288 4.799 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.577 -2.929 5.400 1.00 0.00 H new ATOM 0 HG CYS A 27 6.039 0.173 4.457 1.00 0.00 H new ATOM 424 N SER A 28 7.820 -3.434 8.010 1.00 0.00 N ATOM 425 CA SER A 28 8.615 -4.433 8.740 1.00 0.00 C ATOM 426 C SER A 28 9.512 -5.254 7.812 1.00 0.00 C ATOM 427 O SER A 28 10.576 -5.732 8.220 1.00 0.00 O ATOM 428 CB SER A 28 7.704 -5.385 9.515 1.00 0.00 C ATOM 429 OG SER A 28 6.625 -4.716 10.139 1.00 0.00 O ATOM 0 H SER A 28 6.817 -3.619 8.026 1.00 0.00 H new ATOM 0 HA SER A 28 9.251 -3.878 9.429 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.313 -6.142 8.835 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.290 -5.907 10.272 1.00 0.00 H new ATOM 0 HG SER A 28 6.071 -5.366 10.620 1.00 0.00 H new ATOM 435 N ASN A 29 9.090 -5.422 6.556 1.00 0.00 N ATOM 436 CA ASN A 29 9.947 -5.963 5.520 1.00 0.00 C ATOM 437 C ASN A 29 10.633 -4.804 4.819 1.00 0.00 C ATOM 438 O ASN A 29 9.971 -3.929 4.259 1.00 0.00 O ATOM 439 CB ASN A 29 9.173 -6.814 4.523 1.00 0.00 C ATOM 440 CG ASN A 29 10.164 -7.410 3.534 1.00 0.00 C ATOM 441 OD1 ASN A 29 10.466 -6.873 2.481 1.00 0.00 O ATOM 442 ND2 ASN A 29 10.753 -8.526 3.873 1.00 0.00 N ATOM 0 H ASN A 29 8.150 -5.186 6.239 1.00 0.00 H new ATOM 0 HA ASN A 29 10.685 -6.621 5.978 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.630 -7.605 5.040 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.433 -6.208 4.001 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.456 -8.938 3.260 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.510 -8.985 4.751 1.00 0.00 H new ATOM 449 N THR A 30 11.954 -4.834 4.877 1.00 0.00 N ATOM 450 CA THR A 30 12.895 -3.918 4.263 1.00 0.00 C ATOM 451 C THR A 30 12.587 -3.751 2.777 1.00 0.00 C ATOM 452 O THR A 30 12.103 -2.693 2.374 1.00 0.00 O ATOM 453 CB THR A 30 14.302 -4.474 4.555 1.00 0.00 C ATOM 454 OG1 THR A 30 14.340 -5.862 4.266 1.00 0.00 O ATOM 455 CG2 THR A 30 14.622 -4.279 6.042 1.00 0.00 C ATOM 0 H THR A 30 12.435 -5.565 5.401 1.00 0.00 H new ATOM 0 HA THR A 30 12.824 -2.911 4.674 1.00 0.00 H new ATOM 0 HB THR A 30 15.029 -3.948 3.937 1.00 0.00 H new ATOM 0 HG1 THR A 30 15.237 -6.210 4.452 1.00 0.00 H new ATOM 0 HG21 THR A 30 15.617 -4.671 6.255 1.00 0.00 H new ATOM 0 HG22 THR A 30 14.591 -3.217 6.285 1.00 0.00 H new ATOM 0 HG23 THR A 30 13.886 -4.811 6.645 1.00 0.00 H new ATOM 463 N LYS A 31 12.792 -4.804 1.972 1.00 0.00 N ATOM 464 CA LYS A 31 12.575 -4.748 0.527 1.00 0.00 C ATOM 465 C LYS A 31 11.186 -4.230 0.212 1.00 0.00 C ATOM 466 O LYS A 31 11.070 -3.451 -0.719 1.00 0.00 O ATOM 467 CB LYS A 31 12.811 -6.106 -0.158 1.00 0.00 C ATOM 468 CG LYS A 31 12.482 -6.113 -1.673 1.00 0.00 C ATOM 469 CD LYS A 31 13.437 -5.263 -2.526 1.00 0.00 C ATOM 470 CE LYS A 31 14.722 -6.061 -2.759 1.00 0.00 C ATOM 471 NZ LYS A 31 15.845 -5.239 -3.240 1.00 0.00 N ATOM 0 H LYS A 31 13.112 -5.713 2.307 1.00 0.00 H new ATOM 0 HA LYS A 31 13.313 -4.054 0.125 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.853 -6.394 -0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.204 -6.863 0.339 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.506 -7.141 -2.035 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.464 -5.749 -1.815 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.971 -5.010 -3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.661 -4.323 -2.021 1.00 0.00 H new ATOM 0 HE2 LYS A 31 15.011 -6.548 -1.828 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.524 -6.851 -3.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 16.682 -5.841 -3.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.587 -4.794 -4.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 16.060 -4.501 -2.540 1.00 0.00 H new ATOM 485 N PHE A 32 10.148 -4.640 0.940 1.00 0.00 N ATOM 486 CA PHE A 32 8.790 -4.198 0.658 1.00 0.00 C ATOM 487 C PHE A 32 8.716 -2.670 0.639 1.00 0.00 C ATOM 488 O PHE A 32 8.336 -2.082 -0.375 1.00 0.00 O ATOM 489 CB PHE A 32 7.854 -4.802 1.704 1.00 0.00 C ATOM 490 CG PHE A 32 6.388 -4.780 1.341 1.00 0.00 C ATOM 491 CD1 PHE A 32 5.970 -5.446 0.179 1.00 0.00 C ATOM 492 CD2 PHE A 32 5.437 -4.154 2.167 1.00 0.00 C ATOM 493 CE1 PHE A 32 4.614 -5.473 -0.172 1.00 0.00 C ATOM 494 CE2 PHE A 32 4.080 -4.168 1.806 1.00 0.00 C ATOM 495 CZ PHE A 32 3.666 -4.818 0.632 1.00 0.00 C ATOM 0 H PHE A 32 10.226 -5.279 1.731 1.00 0.00 H new ATOM 0 HA PHE A 32 8.480 -4.540 -0.329 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.153 -5.835 1.883 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.988 -4.264 2.643 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.697 -5.940 -0.448 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.750 -3.664 3.077 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.297 -5.998 -1.061 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.352 -3.677 2.434 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.624 -4.814 0.348 1.00 0.00 H new ATOM 505 N ALA A 33 9.143 -2.033 1.732 1.00 0.00 N ATOM 506 CA ALA A 33 9.188 -0.584 1.851 1.00 0.00 C ATOM 507 C ALA A 33 10.115 0.036 0.806 1.00 0.00 C ATOM 508 O ALA A 33 9.848 1.113 0.288 1.00 0.00 O ATOM 509 CB ALA A 33 9.683 -0.236 3.256 1.00 0.00 C ATOM 0 H ALA A 33 9.470 -2.520 2.566 1.00 0.00 H new ATOM 0 HA ALA A 33 8.190 -0.181 1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.725 0.847 3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.999 -0.652 3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.678 -0.655 3.405 1.00 0.00 H new ATOM 515 N ASP A 34 11.231 -0.618 0.524 1.00 0.00 N ATOM 516 CA ASP A 34 12.327 -0.076 -0.275 1.00 0.00 C ATOM 517 C ASP A 34 12.043 -0.197 -1.773 1.00 0.00 C ATOM 518 O ASP A 34 12.559 0.594 -2.558 1.00 0.00 O ATOM 519 CB ASP A 34 13.626 -0.798 0.103 1.00 0.00 C ATOM 520 CG ASP A 34 14.863 0.022 -0.246 1.00 0.00 C ATOM 521 OD1 ASP A 34 15.159 0.998 0.492 1.00 0.00 O ATOM 522 OD2 ASP A 34 15.589 -0.332 -1.202 1.00 0.00 O ATOM 0 H ASP A 34 11.407 -1.567 0.852 1.00 0.00 H new ATOM 0 HA ASP A 34 12.430 0.988 -0.060 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.623 -1.011 1.172 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.670 -1.757 -0.413 1.00 0.00 H new ATOM 527 N ASP A 35 11.198 -1.147 -2.184 1.00 0.00 N ATOM 528 CA ASP A 35 10.669 -1.259 -3.540 1.00 0.00 C ATOM 529 C ASP A 35 9.537 -0.271 -3.748 1.00 0.00 C ATOM 530 O ASP A 35 9.460 0.331 -4.820 1.00 0.00 O ATOM 531 CB ASP A 35 10.233 -2.688 -3.919 1.00 0.00 C ATOM 532 CG ASP A 35 11.098 -3.336 -5.008 1.00 0.00 C ATOM 533 OD1 ASP A 35 11.947 -2.648 -5.632 1.00 0.00 O ATOM 534 OD2 ASP A 35 10.890 -4.529 -5.298 1.00 0.00 O ATOM 0 H ASP A 35 10.855 -1.879 -1.562 1.00 0.00 H new ATOM 0 HA ASP A 35 11.491 -1.014 -4.213 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.261 -3.314 -3.027 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.198 -2.663 -4.259 1.00 0.00 H new ATOM 539 N LEU A 36 8.702 -0.066 -2.729 1.00 0.00 N ATOM 540 CA LEU A 36 7.624 0.910 -2.769 1.00 0.00 C ATOM 541 C LEU A 36 8.178 2.324 -2.845 1.00 0.00 C ATOM 542 O LEU A 36 7.743 3.098 -3.696 1.00 0.00 O ATOM 543 CB LEU A 36 6.736 0.776 -1.527 1.00 0.00 C ATOM 544 CG LEU A 36 5.810 -0.443 -1.594 1.00 0.00 C ATOM 545 CD1 LEU A 36 5.302 -0.751 -0.180 1.00 0.00 C ATOM 546 CD2 LEU A 36 4.667 -0.160 -2.584 1.00 0.00 C ATOM 0 H LEU A 36 8.759 -0.578 -1.849 1.00 0.00 H new ATOM 0 HA LEU A 36 7.028 0.716 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.366 0.701 -0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.135 1.679 -1.415 1.00 0.00 H new ATOM 0 HG LEU A 36 6.341 -1.323 -1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.641 -1.617 -0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.149 -0.964 0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.755 0.109 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.006 -1.025 -2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.102 0.709 -2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.082 0.037 -3.572 1.00 0.00 H new ATOM 558 N ASN A 37 9.156 2.657 -1.997 1.00 0.00 N ATOM 559 CA ASN A 37 9.775 3.973 -2.021 1.00 0.00 C ATOM 560 C ASN A 37 10.526 4.197 -3.343 1.00 0.00 C ATOM 561 O ASN A 37 10.698 5.336 -3.778 1.00 0.00 O ATOM 562 CB ASN A 37 10.734 4.098 -0.824 1.00 0.00 C ATOM 563 CG ASN A 37 10.051 4.440 0.490 1.00 0.00 C ATOM 564 OD1 ASN A 37 9.343 5.430 0.641 1.00 0.00 O ATOM 565 ND2 ASN A 37 10.258 3.602 1.489 1.00 0.00 N ATOM 0 H ASN A 37 9.532 2.028 -1.287 1.00 0.00 H new ATOM 0 HA ASN A 37 9.001 4.737 -1.947 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.274 3.158 -0.706 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.475 4.866 -1.046 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.827 3.775 2.397 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.849 2.782 1.352 1.00 0.00 H new ATOM 572 N GLN A 38 10.962 3.124 -4.011 1.00 0.00 N ATOM 573 CA GLN A 38 11.567 3.181 -5.325 1.00 0.00 C ATOM 574 C GLN A 38 10.523 3.467 -6.407 1.00 0.00 C ATOM 575 O GLN A 38 10.895 4.051 -7.428 1.00 0.00 O ATOM 576 CB GLN A 38 12.279 1.845 -5.586 1.00 0.00 C ATOM 577 CG GLN A 38 13.793 1.910 -5.359 1.00 0.00 C ATOM 578 CD GLN A 38 14.571 2.070 -6.659 1.00 0.00 C ATOM 579 OE1 GLN A 38 15.137 1.106 -7.175 1.00 0.00 O ATOM 580 NE2 GLN A 38 14.626 3.270 -7.217 1.00 0.00 N ATOM 0 H GLN A 38 10.898 2.177 -3.637 1.00 0.00 H new ATOM 0 HA GLN A 38 12.287 3.998 -5.360 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.854 1.081 -4.935 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.086 1.533 -6.612 1.00 0.00 H new ATOM 0 HG2 GLN A 38 14.022 2.745 -4.697 1.00 0.00 H new ATOM 0 HG3 GLN A 38 14.121 1.002 -4.853 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.152 4.059 -6.778 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.142 3.405 -8.086 1.00 0.00 H new ATOM 589 N MET A 39 9.256 3.076 -6.224 1.00 0.00 N ATOM 590 CA MET A 39 8.202 3.370 -7.171 1.00 0.00 C ATOM 591 C MET A 39 7.795 4.838 -7.096 1.00 0.00 C ATOM 592 O MET A 39 7.615 5.439 -8.154 1.00 0.00 O ATOM 593 CB MET A 39 6.994 2.466 -6.920 1.00 0.00 C ATOM 594 CG MET A 39 7.293 0.995 -7.233 1.00 0.00 C ATOM 595 SD MET A 39 6.180 -0.196 -6.436 1.00 0.00 S ATOM 596 CE MET A 39 4.604 0.560 -6.878 1.00 0.00 C ATOM 0 H MET A 39 8.944 2.546 -5.410 1.00 0.00 H new ATOM 0 HA MET A 39 8.582 3.175 -8.174 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.684 2.558 -5.879 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.158 2.803 -7.532 1.00 0.00 H new ATOM 0 HG2 MET A 39 7.243 0.851 -8.312 1.00 0.00 H new ATOM 0 HG3 MET A 39 8.316 0.774 -6.929 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.889 -0.219 -7.143 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.223 1.130 -6.030 1.00 0.00 H new ATOM 0 HE3 MET A 39 4.746 1.227 -7.729 1.00 0.00 H new ATOM 606 N THR A 40 7.619 5.400 -5.895 1.00 0.00 N ATOM 607 CA THR A 40 7.221 6.794 -5.736 1.00 0.00 C ATOM 608 C THR A 40 8.293 7.768 -6.233 1.00 0.00 C ATOM 609 O THR A 40 7.942 8.818 -6.779 1.00 0.00 O ATOM 610 CB THR A 40 6.891 7.081 -4.264 1.00 0.00 C ATOM 611 OG1 THR A 40 7.958 6.725 -3.411 1.00 0.00 O ATOM 612 CG2 THR A 40 5.667 6.313 -3.780 1.00 0.00 C ATOM 0 H THR A 40 7.749 4.901 -5.015 1.00 0.00 H new ATOM 0 HA THR A 40 6.334 6.949 -6.350 1.00 0.00 H new ATOM 0 HB THR A 40 6.700 8.153 -4.222 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.138 7.460 -2.788 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.478 6.552 -2.734 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.801 6.594 -4.379 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.846 5.243 -3.881 1.00 0.00 H new ATOM 620 N GLY A 41 9.573 7.427 -6.035 1.00 0.00 N ATOM 621 CA GLY A 41 10.689 8.347 -6.197 1.00 0.00 C ATOM 622 C GLY A 41 11.031 9.030 -4.877 1.00 0.00 C ATOM 623 O GLY A 41 11.400 10.205 -4.870 1.00 0.00 O ATOM 0 H GLY A 41 9.859 6.489 -5.754 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.560 7.806 -6.567 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.439 9.099 -6.946 1.00 0.00 H new ATOM 627 N PHE A 42 10.847 8.341 -3.748 1.00 0.00 N ATOM 628 CA PHE A 42 11.136 8.885 -2.431 1.00 0.00 C ATOM 629 C PHE A 42 12.609 9.307 -2.340 1.00 0.00 C ATOM 630 O PHE A 42 13.515 8.549 -2.700 1.00 0.00 O ATOM 631 CB PHE A 42 10.771 7.850 -1.359 1.00 0.00 C ATOM 632 CG PHE A 42 11.392 8.168 -0.020 1.00 0.00 C ATOM 633 CD1 PHE A 42 11.111 9.389 0.615 1.00 0.00 C ATOM 634 CD2 PHE A 42 12.390 7.328 0.500 1.00 0.00 C ATOM 635 CE1 PHE A 42 11.895 9.802 1.696 1.00 0.00 C ATOM 636 CE2 PHE A 42 13.113 7.704 1.638 1.00 0.00 C ATOM 637 CZ PHE A 42 12.882 8.954 2.225 1.00 0.00 C ATOM 0 H PHE A 42 10.491 7.385 -3.728 1.00 0.00 H new ATOM 0 HA PHE A 42 10.533 9.777 -2.261 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.687 7.807 -1.253 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.099 6.863 -1.684 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.294 10.005 0.270 1.00 0.00 H new ATOM 0 HD2 PHE A 42 12.601 6.385 0.018 1.00 0.00 H new ATOM 0 HE1 PHE A 42 11.741 10.780 2.128 1.00 0.00 H new ATOM 0 HE2 PHE A 42 13.846 7.033 2.061 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.461 9.265 3.082 1.00 0.00 H new ATOM 647 N THR A 43 12.849 10.510 -1.822 1.00 0.00 N ATOM 648 CA THR A 43 14.163 11.048 -1.520 1.00 0.00 C ATOM 649 C THR A 43 14.127 11.657 -0.112 1.00 0.00 C ATOM 650 O THR A 43 13.143 12.273 0.301 1.00 0.00 O ATOM 651 CB THR A 43 14.533 12.048 -2.634 1.00 0.00 C ATOM 652 OG1 THR A 43 14.642 11.390 -3.886 1.00 0.00 O ATOM 653 CG2 THR A 43 15.891 12.700 -2.404 1.00 0.00 C ATOM 0 H THR A 43 12.097 11.160 -1.593 1.00 0.00 H new ATOM 0 HA THR A 43 14.942 10.285 -1.505 1.00 0.00 H new ATOM 0 HB THR A 43 13.739 12.795 -2.624 1.00 0.00 H new ATOM 0 HG1 THR A 43 14.876 12.042 -4.579 1.00 0.00 H new ATOM 0 HG21 THR A 43 16.103 13.395 -3.217 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.879 13.241 -1.458 1.00 0.00 H new ATOM 0 HG23 THR A 43 16.663 11.931 -2.373 1.00 0.00 H new ATOM 661 N LYS A 44 15.203 11.469 0.654 1.00 0.00 N ATOM 662 CA LYS A 44 15.397 12.093 1.957 1.00 0.00 C ATOM 663 C LYS A 44 15.741 13.586 1.835 1.00 0.00 C ATOM 664 O LYS A 44 16.169 14.046 0.775 1.00 0.00 O ATOM 665 CB LYS A 44 16.502 11.340 2.715 1.00 0.00 C ATOM 666 CG LYS A 44 15.975 10.308 3.726 1.00 0.00 C ATOM 667 CD LYS A 44 16.790 10.408 5.015 1.00 0.00 C ATOM 668 CE LYS A 44 16.413 9.349 6.049 1.00 0.00 C ATOM 669 NZ LYS A 44 16.544 9.895 7.414 1.00 0.00 N ATOM 0 H LYS A 44 15.978 10.866 0.377 1.00 0.00 H new ATOM 0 HA LYS A 44 14.461 12.031 2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 44 17.142 10.832 1.994 1.00 0.00 H new ATOM 0 HB3 LYS A 44 17.125 12.063 3.241 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.920 10.489 3.933 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.050 9.303 3.311 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.849 10.312 4.776 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.650 11.397 5.450 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.389 9.015 5.881 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.056 8.476 5.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.284 9.164 8.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.527 10.192 7.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.913 10.714 7.522 1.00 0.00 H new ATOM 683 N PRO A 45 15.642 14.335 2.941 1.00 0.00 N ATOM 684 CA PRO A 45 15.081 13.858 4.187 1.00 0.00 C ATOM 685 C PRO A 45 13.566 13.759 4.052 1.00 0.00 C ATOM 686 O PRO A 45 12.927 14.669 3.513 1.00 0.00 O ATOM 687 CB PRO A 45 15.486 14.880 5.221 1.00 0.00 C ATOM 688 CG PRO A 45 15.501 16.189 4.431 1.00 0.00 C ATOM 689 CD PRO A 45 15.984 15.745 3.047 1.00 0.00 C ATOM 0 HA PRO A 45 15.437 12.866 4.465 1.00 0.00 H new ATOM 0 HB2 PRO A 45 14.778 14.917 6.049 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.464 14.656 5.647 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.512 16.646 4.387 1.00 0.00 H new ATOM 0 HG3 PRO A 45 16.172 16.923 4.877 1.00 0.00 H new ATOM 0 HD2 PRO A 45 15.501 16.325 2.260 1.00 0.00 H new ATOM 0 HD3 PRO A 45 17.058 15.896 2.941 1.00 0.00 H new ATOM 697 N ALA A 46 12.991 12.631 4.481 1.00 0.00 N ATOM 698 CA ALA A 46 11.559 12.492 4.310 1.00 0.00 C ATOM 699 C ALA A 46 10.824 13.523 5.165 1.00 0.00 C ATOM 700 O ALA A 46 11.253 13.842 6.281 1.00 0.00 O ATOM 701 CB ALA A 46 11.071 11.083 4.633 1.00 0.00 C ATOM 0 H ALA A 46 13.470 11.847 4.924 1.00 0.00 H new ATOM 0 HA ALA A 46 11.337 12.673 3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.992 11.030 4.490 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.560 10.368 3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.312 10.843 5.669 1.00 0.00 H new ATOM 707 N SER A 47 9.692 14.008 4.661 1.00 0.00 N ATOM 708 CA SER A 47 8.827 14.928 5.382 1.00 0.00 C ATOM 709 C SER A 47 8.220 14.205 6.590 1.00 0.00 C ATOM 710 O SER A 47 8.267 14.705 7.711 1.00 0.00 O ATOM 711 CB SER A 47 7.768 15.485 4.418 1.00 0.00 C ATOM 712 OG SER A 47 7.148 16.628 4.965 1.00 0.00 O ATOM 0 H SER A 47 9.349 13.769 3.731 1.00 0.00 H new ATOM 0 HA SER A 47 9.389 15.779 5.767 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.233 15.738 3.465 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.018 14.721 4.213 1.00 0.00 H new ATOM 0 HG SER A 47 6.478 16.969 4.336 1.00 0.00 H new ATOM 718 N ARG A 48 7.713 12.988 6.387 1.00 0.00 N ATOM 719 CA ARG A 48 7.173 12.108 7.420 1.00 0.00 C ATOM 720 C ARG A 48 7.477 10.667 7.025 1.00 0.00 C ATOM 721 O ARG A 48 7.742 10.404 5.851 1.00 0.00 O ATOM 722 CB ARG A 48 5.668 12.385 7.648 1.00 0.00 C ATOM 723 CG ARG A 48 4.796 12.519 6.380 1.00 0.00 C ATOM 724 CD ARG A 48 3.677 11.476 6.279 1.00 0.00 C ATOM 725 NE ARG A 48 2.627 11.686 7.288 1.00 0.00 N ATOM 726 CZ ARG A 48 1.615 12.565 7.257 1.00 0.00 C ATOM 727 NH1 ARG A 48 1.360 13.305 6.182 1.00 0.00 N ATOM 728 NH2 ARG A 48 0.858 12.686 8.338 1.00 0.00 N ATOM 0 H ARG A 48 7.666 12.572 5.457 1.00 0.00 H new ATOM 0 HA ARG A 48 7.647 12.300 8.382 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.261 11.580 8.259 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.573 13.304 8.227 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.353 13.515 6.360 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.436 12.437 5.501 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.235 11.516 5.284 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.100 10.479 6.400 1.00 0.00 H new ATOM 0 HE ARG A 48 2.675 11.089 8.114 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.942 13.213 5.349 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.582 13.965 6.190 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.053 12.119 9.163 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.081 13.346 8.345 1.00 0.00 H new ATOM 742 N GLU A 49 7.451 9.730 7.969 1.00 0.00 N ATOM 743 CA GLU A 49 7.929 8.360 7.793 1.00 0.00 C ATOM 744 C GLU A 49 6.897 7.351 8.307 1.00 0.00 C ATOM 745 O GLU A 49 6.937 6.916 9.462 1.00 0.00 O ATOM 746 CB GLU A 49 9.293 8.150 8.471 1.00 0.00 C ATOM 747 CG GLU A 49 10.473 8.860 7.783 1.00 0.00 C ATOM 748 CD GLU A 49 11.050 10.121 8.459 1.00 0.00 C ATOM 749 OE1 GLU A 49 10.505 10.630 9.471 1.00 0.00 O ATOM 750 OE2 GLU A 49 12.098 10.602 7.971 1.00 0.00 O ATOM 0 H GLU A 49 7.086 9.907 8.905 1.00 0.00 H new ATOM 0 HA GLU A 49 8.064 8.191 6.725 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.228 8.499 9.501 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.503 7.081 8.509 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.282 8.137 7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.157 9.135 6.777 1.00 0.00 H new ATOM 757 N LEU A 50 5.980 6.970 7.419 1.00 0.00 N ATOM 758 CA LEU A 50 4.856 6.062 7.672 1.00 0.00 C ATOM 759 C LEU A 50 5.343 4.627 7.898 1.00 0.00 C ATOM 760 O LEU A 50 6.541 4.357 7.842 1.00 0.00 O ATOM 761 CB LEU A 50 3.822 6.146 6.526 1.00 0.00 C ATOM 762 CG LEU A 50 3.305 7.572 6.248 1.00 0.00 C ATOM 763 CD1 LEU A 50 2.331 7.558 5.064 1.00 0.00 C ATOM 764 CD2 LEU A 50 2.624 8.161 7.487 1.00 0.00 C ATOM 0 H LEU A 50 5.999 7.301 6.455 1.00 0.00 H new ATOM 0 HA LEU A 50 4.359 6.377 8.589 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.272 5.750 5.615 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.975 5.505 6.768 1.00 0.00 H new ATOM 0 HG LEU A 50 4.159 8.202 5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.972 8.570 4.876 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.842 7.184 4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.486 6.910 5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.269 9.167 7.263 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.780 7.533 7.771 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.338 8.203 8.309 1.00 0.00 H new ATOM 776 N SER A 51 4.429 3.687 8.135 1.00 0.00 N ATOM 777 CA SER A 51 4.689 2.265 8.353 1.00 0.00 C ATOM 778 C SER A 51 3.554 1.471 7.752 1.00 0.00 C ATOM 779 O SER A 51 2.401 1.861 7.956 1.00 0.00 O ATOM 780 CB SER A 51 4.731 1.985 9.856 1.00 0.00 C ATOM 781 OG SER A 51 5.884 2.533 10.453 1.00 0.00 O ATOM 0 H SER A 51 3.435 3.909 8.183 1.00 0.00 H new ATOM 0 HA SER A 51 5.638 1.987 7.895 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.842 2.402 10.329 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.708 0.909 10.027 1.00 0.00 H new ATOM 0 HG SER A 51 6.630 2.495 9.819 1.00 0.00 H new ATOM 787 N VAL A 52 3.851 0.359 7.078 1.00 0.00 N ATOM 788 CA VAL A 52 2.806 -0.625 6.806 1.00 0.00 C ATOM 789 C VAL A 52 2.852 -1.698 7.914 1.00 0.00 C ATOM 790 O VAL A 52 3.858 -1.789 8.624 1.00 0.00 O ATOM 791 CB VAL A 52 3.066 -1.151 5.395 1.00 0.00 C ATOM 792 CG1 VAL A 52 2.053 -2.215 4.956 1.00 0.00 C ATOM 793 CG2 VAL A 52 3.009 -0.031 4.337 1.00 0.00 C ATOM 0 H VAL A 52 4.777 0.122 6.721 1.00 0.00 H new ATOM 0 HA VAL A 52 1.794 -0.220 6.827 1.00 0.00 H new ATOM 0 HB VAL A 52 4.064 -1.584 5.452 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.291 -2.549 3.946 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.098 -3.064 5.639 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.049 -1.790 4.971 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.200 -0.453 3.350 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.022 0.431 4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.765 0.721 4.562 1.00 0.00 H new ATOM 803 N THR A 53 1.807 -2.521 8.076 1.00 0.00 N ATOM 804 CA THR A 53 1.776 -3.695 8.959 1.00 0.00 C ATOM 805 C THR A 53 0.987 -4.835 8.298 1.00 0.00 C ATOM 806 O THR A 53 0.034 -4.566 7.572 1.00 0.00 O ATOM 807 CB THR A 53 1.207 -3.333 10.341 1.00 0.00 C ATOM 808 OG1 THR A 53 0.233 -2.299 10.298 1.00 0.00 O ATOM 809 CG2 THR A 53 2.316 -2.865 11.289 1.00 0.00 C ATOM 0 H THR A 53 0.928 -2.382 7.578 1.00 0.00 H new ATOM 0 HA THR A 53 2.798 -4.041 9.116 1.00 0.00 H new ATOM 0 HB THR A 53 0.738 -4.250 10.698 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.437 -2.509 9.614 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.885 -2.616 12.259 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.050 -3.662 11.412 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.804 -1.984 10.872 1.00 0.00 H new ATOM 817 N PHE A 54 1.391 -6.093 8.514 1.00 0.00 N ATOM 818 CA PHE A 54 0.871 -7.267 7.805 1.00 0.00 C ATOM 819 C PHE A 54 -0.181 -7.995 8.643 1.00 0.00 C ATOM 820 O PHE A 54 0.159 -8.487 9.727 1.00 0.00 O ATOM 821 CB PHE A 54 2.023 -8.238 7.512 1.00 0.00 C ATOM 822 CG PHE A 54 3.136 -7.717 6.624 1.00 0.00 C ATOM 823 CD1 PHE A 54 2.852 -7.349 5.300 1.00 0.00 C ATOM 824 CD2 PHE A 54 4.462 -7.663 7.092 1.00 0.00 C ATOM 825 CE1 PHE A 54 3.891 -6.974 4.429 1.00 0.00 C ATOM 826 CE2 PHE A 54 5.506 -7.306 6.219 1.00 0.00 C ATOM 827 CZ PHE A 54 5.223 -6.982 4.879 1.00 0.00 C ATOM 0 H PHE A 54 2.106 -6.327 9.203 1.00 0.00 H new ATOM 0 HA PHE A 54 0.411 -6.927 6.877 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.460 -8.546 8.462 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.606 -9.132 7.048 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.831 -7.354 4.948 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.679 -7.896 8.124 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.666 -6.680 3.415 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.525 -7.281 6.577 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.026 -6.740 4.199 1.00 0.00 H new ATOM 837 N PHE A 55 -1.431 -8.085 8.165 1.00 0.00 N ATOM 838 CA PHE A 55 -2.546 -8.581 8.975 1.00 0.00 C ATOM 839 C PHE A 55 -2.292 -9.944 9.643 1.00 0.00 C ATOM 840 O PHE A 55 -1.659 -10.803 9.018 1.00 0.00 O ATOM 841 CB PHE A 55 -3.845 -8.668 8.148 1.00 0.00 C ATOM 842 CG PHE A 55 -5.040 -7.949 8.743 1.00 0.00 C ATOM 843 CD1 PHE A 55 -4.981 -6.572 9.006 1.00 0.00 C ATOM 844 CD2 PHE A 55 -6.184 -8.681 9.123 1.00 0.00 C ATOM 845 CE1 PHE A 55 -6.065 -5.923 9.621 1.00 0.00 C ATOM 846 CE2 PHE A 55 -7.253 -8.036 9.769 1.00 0.00 C ATOM 847 CZ PHE A 55 -7.195 -6.655 10.018 1.00 0.00 C ATOM 0 H PHE A 55 -1.693 -7.818 7.216 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.648 -7.846 9.773 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.653 -8.260 7.156 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.103 -9.719 8.016 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.100 -6.009 8.735 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.239 -9.740 8.917 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.029 -4.857 9.789 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.120 -8.603 10.074 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.016 -6.158 10.513 1.00 0.00 H new ATOM 857 N PRO A 56 -2.950 -10.241 10.781 1.00 0.00 N ATOM 858 CA PRO A 56 -3.686 -9.306 11.628 1.00 0.00 C ATOM 859 C PRO A 56 -2.735 -8.480 12.507 1.00 0.00 C ATOM 860 O PRO A 56 -2.298 -8.920 13.567 1.00 0.00 O ATOM 861 CB PRO A 56 -4.632 -10.181 12.447 1.00 0.00 C ATOM 862 CG PRO A 56 -3.844 -11.480 12.626 1.00 0.00 C ATOM 863 CD PRO A 56 -3.033 -11.588 11.334 1.00 0.00 C ATOM 0 HA PRO A 56 -4.238 -8.566 11.049 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.875 -9.723 13.406 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.575 -10.351 11.927 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.198 -11.440 13.503 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.506 -12.336 12.757 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.038 -11.987 11.533 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.514 -12.267 10.630 1.00 0.00 H new ATOM 871 N ASP A 57 -2.385 -7.292 12.031 1.00 0.00 N ATOM 872 CA ASP A 57 -1.487 -6.306 12.603 1.00 0.00 C ATOM 873 C ASP A 57 -1.840 -5.044 11.842 1.00 0.00 C ATOM 874 O ASP A 57 -1.944 -5.078 10.613 1.00 0.00 O ATOM 875 CB ASP A 57 -0.036 -6.653 12.296 1.00 0.00 C ATOM 876 CG ASP A 57 1.005 -5.692 12.847 1.00 0.00 C ATOM 877 OD1 ASP A 57 0.703 -4.650 13.470 1.00 0.00 O ATOM 878 OD2 ASP A 57 2.191 -6.002 12.590 1.00 0.00 O ATOM 0 H ASP A 57 -2.765 -6.965 11.142 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.586 -6.233 13.686 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.171 -7.648 12.690 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.084 -6.707 11.214 1.00 0.00 H new ATOM 883 N LEU A 58 -2.133 -3.976 12.565 1.00 0.00 N ATOM 884 CA LEU A 58 -2.602 -2.721 12.011 1.00 0.00 C ATOM 885 C LEU A 58 -2.055 -1.557 12.841 1.00 0.00 C ATOM 886 O LEU A 58 -2.648 -0.475 12.866 1.00 0.00 O ATOM 887 CB LEU A 58 -4.137 -2.747 11.872 1.00 0.00 C ATOM 888 CG LEU A 58 -4.924 -3.284 13.090 1.00 0.00 C ATOM 889 CD1 LEU A 58 -6.291 -2.601 13.136 1.00 0.00 C ATOM 890 CD2 LEU A 58 -5.129 -4.814 13.044 1.00 0.00 C ATOM 0 H LEU A 58 -2.048 -3.960 13.581 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.221 -2.573 11.001 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.479 -1.733 11.663 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.392 -3.355 11.004 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.338 -3.061 13.981 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.855 -2.973 13.992 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.156 -1.523 13.230 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.838 -2.819 12.219 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.687 -5.133 13.924 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.686 -5.080 12.145 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.159 -5.311 13.030 1.00 0.00 H new ATOM 902 N ASN A 59 -0.938 -1.781 13.543 1.00 0.00 N ATOM 903 CA ASN A 59 -0.286 -0.769 14.362 1.00 0.00 C ATOM 904 C ASN A 59 0.406 0.271 13.490 1.00 0.00 C ATOM 905 O ASN A 59 0.548 1.418 13.917 1.00 0.00 O ATOM 906 CB ASN A 59 0.771 -1.398 15.283 1.00 0.00 C ATOM 907 CG ASN A 59 0.172 -2.352 16.301 1.00 0.00 C ATOM 908 OD1 ASN A 59 -0.130 -1.966 17.424 1.00 0.00 O ATOM 909 ND2 ASN A 59 -0.030 -3.598 15.914 1.00 0.00 N ATOM 0 H ASN A 59 -0.461 -2.683 13.554 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.064 -0.297 14.962 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.502 -1.933 14.677 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.308 -0.607 15.806 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.449 -4.270 16.557 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.232 -3.888 14.972 1.00 0.00 H new ATOM 916 N GLY A 60 0.848 -0.117 12.292 1.00 0.00 N ATOM 917 CA GLY A 60 1.420 0.794 11.316 1.00 0.00 C ATOM 918 C GLY A 60 0.352 1.764 10.829 1.00 0.00 C ATOM 919 O GLY A 60 -0.846 1.493 10.941 1.00 0.00 O ATOM 0 H GLY A 60 0.815 -1.086 11.975 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.249 1.345 11.761 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.825 0.232 10.474 1.00 0.00 H new ATOM 923 N ASP A 61 0.777 2.888 10.256 1.00 0.00 N ATOM 924 CA ASP A 61 -0.141 3.882 9.702 1.00 0.00 C ATOM 925 C ASP A 61 -1.011 3.259 8.611 1.00 0.00 C ATOM 926 O ASP A 61 -2.203 3.551 8.512 1.00 0.00 O ATOM 927 CB ASP A 61 0.631 5.088 9.146 1.00 0.00 C ATOM 928 CG ASP A 61 0.258 6.344 9.922 1.00 0.00 C ATOM 929 OD1 ASP A 61 0.897 6.582 10.972 1.00 0.00 O ATOM 930 OD2 ASP A 61 -0.671 7.075 9.509 1.00 0.00 O ATOM 0 H ASP A 61 1.762 3.135 10.163 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.789 4.231 10.506 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.704 4.910 9.220 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.402 5.222 8.089 1.00 0.00 H new ATOM 935 N VAL A 62 -0.427 2.341 7.845 1.00 0.00 N ATOM 936 CA VAL A 62 -1.071 1.603 6.778 1.00 0.00 C ATOM 937 C VAL A 62 -1.060 0.121 7.150 1.00 0.00 C ATOM 938 O VAL A 62 -0.262 -0.344 7.971 1.00 0.00 O ATOM 939 CB VAL A 62 -0.368 1.948 5.444 1.00 0.00 C ATOM 940 CG1 VAL A 62 -0.916 1.167 4.233 1.00 0.00 C ATOM 941 CG2 VAL A 62 -0.429 3.467 5.184 1.00 0.00 C ATOM 0 H VAL A 62 0.553 2.085 7.962 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.117 1.877 6.642 1.00 0.00 H new ATOM 0 HB VAL A 62 0.670 1.636 5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.374 1.462 3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.786 0.098 4.400 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.976 1.388 4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.070 3.695 4.242 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.470 3.785 5.130 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.070 3.995 5.996 1.00 0.00 H new ATOM 951 N VAL A 63 -1.965 -0.629 6.536 1.00 0.00 N ATOM 952 CA VAL A 63 -2.170 -2.045 6.768 1.00 0.00 C ATOM 953 C VAL A 63 -1.905 -2.758 5.433 1.00 0.00 C ATOM 954 O VAL A 63 -1.932 -2.128 4.377 1.00 0.00 O ATOM 955 CB VAL A 63 -3.601 -2.212 7.330 1.00 0.00 C ATOM 956 CG1 VAL A 63 -3.874 -3.647 7.771 1.00 0.00 C ATOM 957 CG2 VAL A 63 -3.859 -1.291 8.545 1.00 0.00 C ATOM 0 H VAL A 63 -2.600 -0.248 5.835 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.497 -2.491 7.501 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.268 -1.940 6.512 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.890 -3.721 8.159 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.761 -4.317 6.919 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.166 -3.929 8.550 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.876 -1.442 8.907 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.152 -1.530 9.340 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.731 -0.251 8.247 1.00 0.00 H new ATOM 967 N ALA A 64 -1.636 -4.058 5.451 1.00 0.00 N ATOM 968 CA ALA A 64 -1.414 -4.893 4.284 1.00 0.00 C ATOM 969 C ALA A 64 -2.250 -6.154 4.435 1.00 0.00 C ATOM 970 O ALA A 64 -2.438 -6.654 5.550 1.00 0.00 O ATOM 971 CB ALA A 64 0.071 -5.232 4.154 1.00 0.00 C ATOM 0 H ALA A 64 -1.564 -4.581 6.324 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.712 -4.366 3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.226 -5.858 3.276 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.646 -4.312 4.050 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.401 -5.767 5.044 1.00 0.00 H new ATOM 977 N ILE A 65 -2.741 -6.649 3.304 1.00 0.00 N ATOM 978 CA ILE A 65 -3.619 -7.791 3.167 1.00 0.00 C ATOM 979 C ILE A 65 -2.971 -8.698 2.106 1.00 0.00 C ATOM 980 O ILE A 65 -2.392 -8.193 1.139 1.00 0.00 O ATOM 981 CB ILE A 65 -5.041 -7.316 2.791 1.00 0.00 C ATOM 982 CG1 ILE A 65 -5.685 -6.391 3.856 1.00 0.00 C ATOM 983 CG2 ILE A 65 -5.973 -8.502 2.513 1.00 0.00 C ATOM 984 CD1 ILE A 65 -6.081 -7.057 5.182 1.00 0.00 C ATOM 0 H ILE A 65 -2.517 -6.230 2.401 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.738 -8.352 4.094 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.916 -6.728 1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.988 -5.582 4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.575 -5.936 3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.964 -8.132 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.576 -9.091 1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.042 -9.127 3.403 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.520 -6.313 5.846 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.808 -7.846 4.990 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.196 -7.486 5.652 1.00 0.00 H new ATOM 996 N ASP A 66 -3.048 -10.022 2.260 1.00 0.00 N ATOM 997 CA ASP A 66 -2.603 -10.950 1.212 1.00 0.00 C ATOM 998 C ASP A 66 -3.458 -10.731 -0.035 1.00 0.00 C ATOM 999 O ASP A 66 -4.691 -10.815 0.034 1.00 0.00 O ATOM 1000 CB ASP A 66 -2.678 -12.414 1.668 1.00 0.00 C ATOM 1001 CG ASP A 66 -2.207 -13.439 0.623 1.00 0.00 C ATOM 1002 OD1 ASP A 66 -2.030 -13.116 -0.567 1.00 0.00 O ATOM 1003 OD2 ASP A 66 -2.067 -14.630 0.988 1.00 0.00 O ATOM 0 H ASP A 66 -3.413 -10.477 3.097 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.556 -10.745 0.989 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.075 -12.531 2.569 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.708 -12.642 1.942 1.00 0.00 H new ATOM 1008 N TYR A 67 -2.775 -10.502 -1.159 1.00 0.00 N ATOM 1009 CA TYR A 67 -3.244 -10.398 -2.538 1.00 0.00 C ATOM 1010 C TYR A 67 -4.417 -11.313 -2.908 1.00 0.00 C ATOM 1011 O TYR A 67 -5.169 -10.968 -3.811 1.00 0.00 O ATOM 1012 CB TYR A 67 -2.044 -10.712 -3.443 1.00 0.00 C ATOM 1013 CG TYR A 67 -2.372 -11.030 -4.892 1.00 0.00 C ATOM 1014 CD1 TYR A 67 -2.445 -10.003 -5.848 1.00 0.00 C ATOM 1015 CD2 TYR A 67 -2.639 -12.361 -5.271 1.00 0.00 C ATOM 1016 CE1 TYR A 67 -2.695 -10.307 -7.198 1.00 0.00 C ATOM 1017 CE2 TYR A 67 -2.918 -12.672 -6.613 1.00 0.00 C ATOM 1018 CZ TYR A 67 -2.926 -11.645 -7.585 1.00 0.00 C ATOM 1019 OH TYR A 67 -3.123 -11.939 -8.899 1.00 0.00 O ATOM 0 H TYR A 67 -1.764 -10.370 -1.116 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.634 -9.389 -2.669 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.365 -9.859 -3.423 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.505 -11.559 -3.018 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.308 -8.975 -5.545 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.629 -13.145 -4.528 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.710 -9.519 -7.937 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.126 -13.692 -6.901 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.267 -12.903 -9.000 1.00 0.00 H new ATOM 1029 N ARG A 68 -4.612 -12.463 -2.261 1.00 0.00 N ATOM 1030 CA ARG A 68 -5.735 -13.373 -2.502 1.00 0.00 C ATOM 1031 C ARG A 68 -7.077 -12.645 -2.481 1.00 0.00 C ATOM 1032 O ARG A 68 -7.984 -12.990 -3.235 1.00 0.00 O ATOM 1033 CB ARG A 68 -5.742 -14.425 -1.394 1.00 0.00 C ATOM 1034 CG ARG A 68 -4.440 -15.207 -1.255 1.00 0.00 C ATOM 1035 CD ARG A 68 -4.485 -16.590 -1.890 1.00 0.00 C ATOM 1036 NE ARG A 68 -3.140 -17.191 -1.902 1.00 0.00 N ATOM 1037 CZ ARG A 68 -2.865 -18.495 -2.019 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -3.837 -19.394 -2.061 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -1.610 -18.902 -2.131 1.00 0.00 N ATOM 0 H ARG A 68 -3.977 -12.797 -1.536 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.607 -13.820 -3.488 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.959 -13.934 -0.445 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.554 -15.127 -1.582 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.632 -14.634 -1.710 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.200 -15.311 -0.197 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.172 -17.230 -1.336 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.868 -16.518 -2.908 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.347 -16.556 -1.813 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.811 -19.095 -2.004 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.612 -20.385 -2.150 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.851 -18.221 -2.128 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.402 -19.897 -2.220 1.00 0.00 H new ATOM 1053 N HIS A 69 -7.207 -11.659 -1.596 1.00 0.00 N ATOM 1054 CA HIS A 69 -8.390 -10.805 -1.488 1.00 0.00 C ATOM 1055 C HIS A 69 -8.661 -9.990 -2.772 1.00 0.00 C ATOM 1056 O HIS A 69 -9.778 -9.510 -2.952 1.00 0.00 O ATOM 1057 CB HIS A 69 -8.213 -9.844 -0.301 1.00 0.00 C ATOM 1058 CG HIS A 69 -8.922 -10.197 0.984 1.00 0.00 C ATOM 1059 ND1 HIS A 69 -8.334 -10.692 2.126 1.00 0.00 N ATOM 1060 CD2 HIS A 69 -10.211 -9.866 1.303 1.00 0.00 C ATOM 1061 CE1 HIS A 69 -9.246 -10.673 3.110 1.00 0.00 C ATOM 1062 NE2 HIS A 69 -10.395 -10.148 2.661 1.00 0.00 N ATOM 0 H HIS A 69 -6.479 -11.426 -0.920 1.00 0.00 H new ATOM 0 HA HIS A 69 -9.249 -11.458 -1.335 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.147 -9.763 -0.088 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -8.551 -8.856 -0.613 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -7.371 -11.017 2.210 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -10.951 -9.461 0.629 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -9.079 -11.028 4.116 1.00 0.00 H new ATOM 1070 N TYR A 70 -7.677 -9.778 -3.653 1.00 0.00 N ATOM 1071 CA TYR A 70 -7.787 -8.936 -4.840 1.00 0.00 C ATOM 1072 C TYR A 70 -8.636 -9.604 -5.933 1.00 0.00 C ATOM 1073 O TYR A 70 -8.132 -10.050 -6.966 1.00 0.00 O ATOM 1074 CB TYR A 70 -6.390 -8.555 -5.358 1.00 0.00 C ATOM 1075 CG TYR A 70 -6.329 -7.577 -6.524 1.00 0.00 C ATOM 1076 CD1 TYR A 70 -7.488 -7.007 -7.097 1.00 0.00 C ATOM 1077 CD2 TYR A 70 -5.072 -7.319 -7.102 1.00 0.00 C ATOM 1078 CE1 TYR A 70 -7.382 -6.219 -8.254 1.00 0.00 C ATOM 1079 CE2 TYR A 70 -4.962 -6.547 -8.271 1.00 0.00 C ATOM 1080 CZ TYR A 70 -6.124 -6.003 -8.858 1.00 0.00 C ATOM 1081 OH TYR A 70 -6.060 -5.315 -10.031 1.00 0.00 O ATOM 0 H TYR A 70 -6.755 -10.203 -3.553 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.305 -8.019 -4.558 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.825 -8.129 -4.529 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.878 -9.470 -5.656 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -8.454 -7.177 -6.645 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -4.181 -7.719 -6.641 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -8.268 -5.775 -8.685 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -3.994 -6.371 -8.717 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.126 -5.248 -10.320 1.00 0.00 H new ATOM 1091 N SER A 71 -9.951 -9.545 -5.760 1.00 0.00 N ATOM 1092 CA SER A 71 -10.952 -10.184 -6.607 1.00 0.00 C ATOM 1093 C SER A 71 -11.310 -9.410 -7.889 1.00 0.00 C ATOM 1094 O SER A 71 -12.456 -9.440 -8.349 1.00 0.00 O ATOM 1095 CB SER A 71 -12.186 -10.442 -5.731 1.00 0.00 C ATOM 1096 OG SER A 71 -12.664 -11.761 -5.880 1.00 0.00 O ATOM 0 H SER A 71 -10.369 -9.025 -4.988 1.00 0.00 H new ATOM 0 HA SER A 71 -10.531 -11.113 -6.990 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.935 -10.262 -4.686 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.974 -9.737 -5.996 1.00 0.00 H new ATOM 0 HG SER A 71 -13.449 -11.891 -5.307 1.00 0.00 H new ATOM 1102 N ALA A 72 -10.366 -8.644 -8.443 1.00 0.00 N ATOM 1103 CA ALA A 72 -10.550 -7.693 -9.545 1.00 0.00 C ATOM 1104 C ALA A 72 -11.567 -6.561 -9.284 1.00 0.00 C ATOM 1105 O ALA A 72 -11.499 -5.544 -9.977 1.00 0.00 O ATOM 1106 CB ALA A 72 -10.804 -8.434 -10.864 1.00 0.00 C ATOM 0 H ALA A 72 -9.400 -8.672 -8.117 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.606 -7.155 -9.627 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.938 -7.710 -11.668 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.952 -9.075 -11.091 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -11.703 -9.044 -10.772 1.00 0.00 H new ATOM 1112 N SER A 73 -12.411 -6.640 -8.248 1.00 0.00 N ATOM 1113 CA SER A 73 -13.219 -5.536 -7.731 1.00 0.00 C ATOM 1114 C SER A 73 -12.308 -4.360 -7.370 1.00 0.00 C ATOM 1115 O SER A 73 -12.597 -3.192 -7.628 1.00 0.00 O ATOM 1116 CB SER A 73 -13.980 -5.982 -6.461 1.00 0.00 C ATOM 1117 OG SER A 73 -14.161 -7.386 -6.370 1.00 0.00 O ATOM 0 H SER A 73 -12.553 -7.507 -7.730 1.00 0.00 H new ATOM 0 HA SER A 73 -13.933 -5.236 -8.498 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.436 -5.637 -5.582 1.00 0.00 H new ATOM 0 HB3 SER A 73 -14.956 -5.497 -6.443 1.00 0.00 H new ATOM 0 HG SER A 73 -14.646 -7.601 -5.546 1.00 0.00 H new ATOM 1123 N PHE A 74 -11.184 -4.693 -6.742 1.00 0.00 N ATOM 1124 CA PHE A 74 -10.331 -3.772 -6.014 1.00 0.00 C ATOM 1125 C PHE A 74 -9.242 -3.163 -6.904 1.00 0.00 C ATOM 1126 O PHE A 74 -8.226 -2.689 -6.398 1.00 0.00 O ATOM 1127 CB PHE A 74 -9.760 -4.539 -4.815 1.00 0.00 C ATOM 1128 CG PHE A 74 -10.770 -5.273 -3.932 1.00 0.00 C ATOM 1129 CD1 PHE A 74 -11.375 -4.649 -2.821 1.00 0.00 C ATOM 1130 CD2 PHE A 74 -11.088 -6.616 -4.212 1.00 0.00 C ATOM 1131 CE1 PHE A 74 -12.274 -5.359 -1.998 1.00 0.00 C ATOM 1132 CE2 PHE A 74 -11.992 -7.320 -3.398 1.00 0.00 C ATOM 1133 CZ PHE A 74 -12.577 -6.696 -2.287 1.00 0.00 C ATOM 0 H PHE A 74 -10.833 -5.651 -6.729 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.906 -2.915 -5.665 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.040 -5.267 -5.187 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.209 -3.836 -4.191 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.148 -3.617 -2.598 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.634 -7.109 -5.059 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -12.728 -4.873 -1.147 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -12.237 -8.346 -3.629 1.00 0.00 H new ATOM 0 HZ PHE A 74 -13.260 -7.245 -1.655 1.00 0.00 H new ATOM 1143 N LYS A 75 -9.402 -3.197 -8.235 1.00 0.00 N ATOM 1144 CA LYS A 75 -8.317 -2.914 -9.166 1.00 0.00 C ATOM 1145 C LYS A 75 -7.739 -1.506 -9.012 1.00 0.00 C ATOM 1146 O LYS A 75 -6.569 -1.296 -9.330 1.00 0.00 O ATOM 1147 CB LYS A 75 -8.777 -3.241 -10.604 1.00 0.00 C ATOM 1148 CG LYS A 75 -9.072 -2.018 -11.486 1.00 0.00 C ATOM 1149 CD LYS A 75 -9.484 -2.400 -12.908 1.00 0.00 C ATOM 1150 CE LYS A 75 -9.722 -1.116 -13.712 1.00 0.00 C ATOM 1151 NZ LYS A 75 -10.206 -1.408 -15.072 1.00 0.00 N ATOM 0 H LYS A 75 -10.288 -3.422 -8.688 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.477 -3.565 -8.924 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.007 -3.842 -11.088 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.675 -3.857 -10.551 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.866 -1.428 -11.028 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.187 -1.383 -11.527 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.706 -3.002 -13.378 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.389 -3.007 -12.889 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.449 -0.491 -13.193 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.795 -0.546 -13.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.356 -0.516 -15.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.501 -1.984 -15.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.103 -1.931 -15.016 1.00 0.00 H new ATOM 1165 N LYS A 76 -8.559 -0.549 -8.569 1.00 0.00 N ATOM 1166 CA LYS A 76 -8.198 0.860 -8.447 1.00 0.00 C ATOM 1167 C LYS A 76 -7.730 1.217 -7.030 1.00 0.00 C ATOM 1168 O LYS A 76 -7.500 2.394 -6.749 1.00 0.00 O ATOM 1169 CB LYS A 76 -9.371 1.734 -8.897 1.00 0.00 C ATOM 1170 CG LYS A 76 -9.725 1.488 -10.363 1.00 0.00 C ATOM 1171 CD LYS A 76 -10.618 2.618 -10.852 1.00 0.00 C ATOM 1172 CE LYS A 76 -11.070 2.368 -12.283 1.00 0.00 C ATOM 1173 NZ LYS A 76 -12.135 3.316 -12.667 1.00 0.00 N ATOM 0 H LYS A 76 -9.518 -0.742 -8.278 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.348 1.054 -9.102 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.240 1.527 -8.273 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.119 2.785 -8.754 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.818 1.437 -10.966 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.235 0.531 -10.472 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.488 2.708 -10.201 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.079 3.564 -10.796 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.223 2.471 -12.961 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.434 1.345 -12.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.430 3.129 -13.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.950 3.198 -12.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.776 4.289 -12.593 1.00 0.00 H new ATOM 1187 N GLY A 77 -7.570 0.231 -6.147 1.00 0.00 N ATOM 1188 CA GLY A 77 -7.196 0.403 -4.752 1.00 0.00 C ATOM 1189 C GLY A 77 -8.374 0.072 -3.842 1.00 0.00 C ATOM 1190 O GLY A 77 -9.527 -0.032 -4.280 1.00 0.00 O ATOM 0 H GLY A 77 -7.704 -0.748 -6.399 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.351 -0.243 -4.513 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.872 1.429 -4.579 1.00 0.00 H new ATOM 1194 N ALA A 78 -8.081 -0.123 -2.559 1.00 0.00 N ATOM 1195 CA ALA A 78 -9.035 -0.562 -1.557 1.00 0.00 C ATOM 1196 C ALA A 78 -8.682 0.011 -0.177 1.00 0.00 C ATOM 1197 O ALA A 78 -7.692 0.737 -0.008 1.00 0.00 O ATOM 1198 CB ALA A 78 -9.035 -2.088 -1.540 1.00 0.00 C ATOM 0 H ALA A 78 -7.145 0.026 -2.182 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.032 -0.198 -1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.745 -2.444 -0.794 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.323 -2.463 -2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.037 -2.449 -1.292 1.00 0.00 H new ATOM 1204 N LYS A 79 -9.500 -0.320 0.817 1.00 0.00 N ATOM 1205 CA LYS A 79 -9.394 0.105 2.206 1.00 0.00 C ATOM 1206 C LYS A 79 -9.992 -0.982 3.099 1.00 0.00 C ATOM 1207 O LYS A 79 -10.767 -1.807 2.620 1.00 0.00 O ATOM 1208 CB LYS A 79 -10.143 1.436 2.387 1.00 0.00 C ATOM 1209 CG LYS A 79 -11.550 1.425 1.778 1.00 0.00 C ATOM 1210 CD LYS A 79 -12.502 2.436 2.411 1.00 0.00 C ATOM 1211 CE LYS A 79 -13.872 2.212 1.771 1.00 0.00 C ATOM 1212 NZ LYS A 79 -14.988 2.461 2.696 1.00 0.00 N ATOM 0 H LYS A 79 -10.303 -0.929 0.663 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.350 0.256 2.482 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.216 1.662 3.451 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.562 2.237 1.930 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.475 1.629 0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.973 0.426 1.883 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.552 2.296 3.491 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.156 3.455 2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.973 2.866 0.905 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.933 1.187 1.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.890 2.293 2.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.913 1.820 3.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.952 3.447 3.026 1.00 0.00 H new ATOM 1226 N LEU A 80 -9.633 -0.990 4.377 1.00 0.00 N ATOM 1227 CA LEU A 80 -10.265 -1.747 5.439 1.00 0.00 C ATOM 1228 C LEU A 80 -11.164 -0.758 6.190 1.00 0.00 C ATOM 1229 O LEU A 80 -11.225 0.412 5.808 1.00 0.00 O ATOM 1230 CB LEU A 80 -9.161 -2.370 6.324 1.00 0.00 C ATOM 1231 CG LEU A 80 -9.578 -3.727 6.913 1.00 0.00 C ATOM 1232 CD1 LEU A 80 -9.504 -4.857 5.874 1.00 0.00 C ATOM 1233 CD2 LEU A 80 -8.666 -4.071 8.085 1.00 0.00 C ATOM 0 H LEU A 80 -8.847 -0.435 4.714 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.876 -2.576 5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.254 -2.497 5.733 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.919 -1.684 7.136 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.614 -3.639 7.241 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.808 -5.796 6.336 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.170 -4.630 5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.482 -4.947 5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.960 -5.033 8.504 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.634 -4.126 7.739 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.751 -3.300 8.851 1.00 0.00 H new ATOM 1245 N LEU A 81 -11.800 -1.198 7.281 1.00 0.00 N ATOM 1246 CA LEU A 81 -12.807 -0.497 8.101 1.00 0.00 C ATOM 1247 C LEU A 81 -12.723 1.016 8.018 1.00 0.00 C ATOM 1248 O LEU A 81 -13.661 1.700 7.616 1.00 0.00 O ATOM 1249 CB LEU A 81 -12.731 -0.930 9.566 1.00 0.00 C ATOM 1250 CG LEU A 81 -14.032 -0.585 10.332 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -14.889 -1.833 10.516 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -13.731 0.032 11.698 1.00 0.00 C ATOM 0 H LEU A 81 -11.611 -2.131 7.648 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.768 -0.788 7.677 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.551 -2.004 9.620 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.884 -0.440 10.047 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.577 0.147 9.736 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -15.799 -1.573 11.056 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -15.150 -2.242 9.540 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -14.331 -2.577 11.084 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -14.667 0.262 12.208 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.155 -0.673 12.297 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.156 0.948 11.565 1.00 0.00 H new ATOM 1264 N HIS A 82 -11.575 1.534 8.431 1.00 0.00 N ATOM 1265 CA HIS A 82 -11.266 2.959 8.343 1.00 0.00 C ATOM 1266 C HIS A 82 -9.813 3.223 7.940 1.00 0.00 C ATOM 1267 O HIS A 82 -9.326 4.336 8.134 1.00 0.00 O ATOM 1268 CB HIS A 82 -11.628 3.626 9.672 1.00 0.00 C ATOM 1269 CG HIS A 82 -10.661 3.287 10.775 1.00 0.00 C ATOM 1270 ND1 HIS A 82 -9.679 4.125 11.252 1.00 0.00 N ATOM 1271 CD2 HIS A 82 -10.523 2.077 11.395 1.00 0.00 C ATOM 1272 CE1 HIS A 82 -8.989 3.452 12.181 1.00 0.00 C ATOM 1273 NE2 HIS A 82 -9.460 2.194 12.301 1.00 0.00 N ATOM 0 H HIS A 82 -10.825 0.976 8.840 1.00 0.00 H new ATOM 0 HA HIS A 82 -11.866 3.399 7.546 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -11.653 4.707 9.536 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -12.631 3.318 9.967 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -11.121 1.195 11.220 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -8.170 3.860 12.754 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -9.111 1.469 12.928 1.00 0.00 H new ATOM 1281 N LYS A 83 -9.099 2.226 7.412 1.00 0.00 N ATOM 1282 CA LYS A 83 -7.655 2.277 7.174 1.00 0.00 C ATOM 1283 C LYS A 83 -7.339 1.932 5.725 1.00 0.00 C ATOM 1284 O LYS A 83 -8.165 1.305 5.061 1.00 0.00 O ATOM 1285 CB LYS A 83 -6.961 1.318 8.153 1.00 0.00 C ATOM 1286 CG LYS A 83 -6.885 1.963 9.546 1.00 0.00 C ATOM 1287 CD LYS A 83 -5.465 2.364 9.953 1.00 0.00 C ATOM 1288 CE LYS A 83 -4.807 1.263 10.786 1.00 0.00 C ATOM 1289 NZ LYS A 83 -3.514 1.701 11.352 1.00 0.00 N ATOM 0 H LYS A 83 -9.519 1.340 7.132 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.282 3.287 7.347 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.510 0.378 8.207 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.959 1.082 7.796 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.524 2.846 9.565 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.283 1.266 10.283 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.868 2.558 9.062 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.494 3.291 10.526 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.477 0.970 11.594 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.652 0.381 10.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.289 1.126 12.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.766 1.584 10.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.577 2.702 11.627 1.00 0.00 H new ATOM 1303 N PRO A 84 -6.185 2.341 5.191 1.00 0.00 N ATOM 1304 CA PRO A 84 -5.760 1.935 3.862 1.00 0.00 C ATOM 1305 C PRO A 84 -5.178 0.519 3.950 1.00 0.00 C ATOM 1306 O PRO A 84 -4.604 0.148 4.979 1.00 0.00 O ATOM 1307 CB PRO A 84 -4.720 2.981 3.463 1.00 0.00 C ATOM 1308 CG PRO A 84 -4.084 3.377 4.796 1.00 0.00 C ATOM 1309 CD PRO A 84 -5.154 3.121 5.856 1.00 0.00 C ATOM 0 HA PRO A 84 -6.559 1.893 3.122 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.983 2.571 2.772 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.180 3.836 2.968 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.189 2.788 4.993 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -3.781 4.424 4.790 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.741 2.580 6.707 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.558 4.058 6.240 1.00 0.00 H new ATOM 1317 N ILE A 85 -5.282 -0.256 2.866 1.00 0.00 N ATOM 1318 CA ILE A 85 -4.665 -1.580 2.761 1.00 0.00 C ATOM 1319 C ILE A 85 -3.762 -1.581 1.535 1.00 0.00 C ATOM 1320 O ILE A 85 -3.992 -0.827 0.582 1.00 0.00 O ATOM 1321 CB ILE A 85 -5.702 -2.734 2.741 1.00 0.00 C ATOM 1322 CG1 ILE A 85 -6.481 -2.830 1.405 1.00 0.00 C ATOM 1323 CG2 ILE A 85 -6.670 -2.583 3.904 1.00 0.00 C ATOM 1324 CD1 ILE A 85 -5.944 -3.933 0.483 1.00 0.00 C ATOM 0 H ILE A 85 -5.800 0.020 2.032 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.071 -1.771 3.654 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.142 -3.663 2.842 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.534 -3.019 1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.427 -1.872 0.888 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.394 -3.397 3.882 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.118 -2.613 4.843 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.193 -1.630 3.821 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.528 -3.954 -0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.899 -3.732 0.246 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.023 -4.897 0.985 1.00 0.00 H new ATOM 1336 N VAL A 86 -2.803 -2.495 1.510 1.00 0.00 N ATOM 1337 CA VAL A 86 -2.004 -2.798 0.334 1.00 0.00 C ATOM 1338 C VAL A 86 -1.994 -4.303 0.117 1.00 0.00 C ATOM 1339 O VAL A 86 -2.271 -5.061 1.044 1.00 0.00 O ATOM 1340 CB VAL A 86 -0.586 -2.209 0.452 1.00 0.00 C ATOM 1341 CG1 VAL A 86 -0.623 -0.676 0.491 1.00 0.00 C ATOM 1342 CG2 VAL A 86 0.219 -2.737 1.645 1.00 0.00 C ATOM 0 H VAL A 86 -2.554 -3.058 2.324 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.450 -2.327 -0.542 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.068 -2.546 -0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.393 -0.290 0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.080 -0.300 -0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.208 -0.348 1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.205 -2.271 1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.304 -2.498 2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.329 -3.818 1.560 1.00 0.00 H new ATOM 1352 N TRP A 87 -1.674 -4.732 -1.099 1.00 0.00 N ATOM 1353 CA TRP A 87 -1.441 -6.134 -1.391 1.00 0.00 C ATOM 1354 C TRP A 87 0.015 -6.434 -1.080 1.00 0.00 C ATOM 1355 O TRP A 87 0.894 -5.722 -1.578 1.00 0.00 O ATOM 1356 CB TRP A 87 -1.751 -6.417 -2.864 1.00 0.00 C ATOM 1357 CG TRP A 87 -3.127 -6.019 -3.302 1.00 0.00 C ATOM 1358 CD1 TRP A 87 -3.409 -5.173 -4.317 1.00 0.00 C ATOM 1359 CD2 TRP A 87 -4.411 -6.362 -2.699 1.00 0.00 C ATOM 1360 NE1 TRP A 87 -4.777 -5.021 -4.429 1.00 0.00 N ATOM 1361 CE2 TRP A 87 -5.440 -5.711 -3.440 1.00 0.00 C ATOM 1362 CE3 TRP A 87 -4.819 -7.124 -1.584 1.00 0.00 C ATOM 1363 CZ2 TRP A 87 -6.794 -5.847 -3.115 1.00 0.00 C ATOM 1364 CZ3 TRP A 87 -6.174 -7.220 -1.225 1.00 0.00 C ATOM 1365 CH2 TRP A 87 -7.169 -6.611 -2.005 1.00 0.00 C ATOM 0 H TRP A 87 -1.570 -4.116 -1.905 1.00 0.00 H new ATOM 0 HA TRP A 87 -2.089 -6.769 -0.787 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -1.022 -5.893 -3.482 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -1.619 -7.483 -3.051 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -2.676 -4.689 -4.945 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -5.237 -4.468 -5.152 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.077 -7.643 -0.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -7.547 -5.364 -3.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -6.453 -7.769 -0.338 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -8.212 -6.731 -1.751 1.00 0.00 H new ATOM 1376 N HIS A 88 0.272 -7.496 -0.323 1.00 0.00 N ATOM 1377 CA HIS A 88 1.577 -8.137 -0.240 1.00 0.00 C ATOM 1378 C HIS A 88 1.410 -9.609 -0.611 1.00 0.00 C ATOM 1379 O HIS A 88 0.295 -10.139 -0.626 1.00 0.00 O ATOM 1380 CB HIS A 88 2.243 -7.916 1.132 1.00 0.00 C ATOM 1381 CG HIS A 88 1.768 -8.795 2.262 1.00 0.00 C ATOM 1382 ND1 HIS A 88 2.555 -9.625 3.035 1.00 0.00 N ATOM 1383 CD2 HIS A 88 0.508 -8.816 2.791 1.00 0.00 C ATOM 1384 CE1 HIS A 88 1.778 -10.153 3.993 1.00 0.00 C ATOM 1385 NE2 HIS A 88 0.522 -9.683 3.887 1.00 0.00 N ATOM 0 H HIS A 88 -0.435 -7.943 0.261 1.00 0.00 H new ATOM 0 HA HIS A 88 2.266 -7.680 -0.950 1.00 0.00 H new ATOM 0 HB2 HIS A 88 3.317 -8.060 1.017 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.090 -6.876 1.422 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.345 -8.262 2.427 1.00 0.00 H new ATOM 0 HE1 HIS A 88 2.113 -10.855 4.742 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.267 -9.915 4.490 1.00 0.00 H new ATOM 1393 N ILE A 89 2.535 -10.246 -0.914 1.00 0.00 N ATOM 1394 CA ILE A 89 2.693 -11.663 -1.171 1.00 0.00 C ATOM 1395 C ILE A 89 4.009 -11.977 -0.486 1.00 0.00 C ATOM 1396 O ILE A 89 5.023 -11.381 -0.850 1.00 0.00 O ATOM 1397 CB ILE A 89 2.786 -11.945 -2.691 1.00 0.00 C ATOM 1398 CG1 ILE A 89 1.429 -11.717 -3.391 1.00 0.00 C ATOM 1399 CG2 ILE A 89 3.294 -13.376 -2.951 1.00 0.00 C ATOM 1400 CD1 ILE A 89 1.499 -11.807 -4.920 1.00 0.00 C ATOM 0 H ILE A 89 3.420 -9.746 -0.991 1.00 0.00 H new ATOM 0 HA ILE A 89 1.858 -12.264 -0.812 1.00 0.00 H new ATOM 0 HB ILE A 89 3.502 -11.241 -3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.714 -12.454 -3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.047 -10.735 -3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.351 -13.552 -4.025 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.284 -13.497 -2.510 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.607 -14.093 -2.502 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.508 -11.636 -5.340 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.189 -11.052 -5.298 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.850 -12.797 -5.210 1.00 0.00 H new ATOM 1412 N ASN A 90 4.016 -12.866 0.505 1.00 0.00 N ATOM 1413 CA ASN A 90 5.214 -13.321 1.212 1.00 0.00 C ATOM 1414 C ASN A 90 6.056 -12.178 1.786 1.00 0.00 C ATOM 1415 O ASN A 90 7.257 -12.344 1.995 1.00 0.00 O ATOM 1416 CB ASN A 90 6.020 -14.341 0.370 1.00 0.00 C ATOM 1417 CG ASN A 90 6.826 -13.815 -0.819 1.00 0.00 C ATOM 1418 OD1 ASN A 90 6.716 -14.332 -1.928 1.00 0.00 O ATOM 1419 ND2 ASN A 90 7.710 -12.847 -0.642 1.00 0.00 N ATOM 0 H ASN A 90 3.162 -13.304 0.850 1.00 0.00 H new ATOM 0 HA ASN A 90 4.873 -13.861 2.095 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.710 -14.855 1.039 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.322 -15.090 -0.005 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.291 -12.538 -1.421 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.811 -12.410 0.274 1.00 0.00 H new ATOM 1426 N GLN A 91 5.456 -11.005 2.016 1.00 0.00 N ATOM 1427 CA GLN A 91 6.150 -9.783 2.431 1.00 0.00 C ATOM 1428 C GLN A 91 7.125 -9.278 1.356 1.00 0.00 C ATOM 1429 O GLN A 91 8.195 -8.758 1.667 1.00 0.00 O ATOM 1430 CB GLN A 91 6.857 -9.976 3.784 1.00 0.00 C ATOM 1431 CG GLN A 91 6.009 -10.678 4.854 1.00 0.00 C ATOM 1432 CD GLN A 91 6.702 -10.670 6.207 1.00 0.00 C ATOM 1433 OE1 GLN A 91 6.055 -10.535 7.233 1.00 0.00 O ATOM 1434 NE2 GLN A 91 8.012 -10.833 6.260 1.00 0.00 N ATOM 0 H GLN A 91 4.449 -10.877 1.916 1.00 0.00 H new ATOM 0 HA GLN A 91 5.391 -9.011 2.558 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.767 -10.554 3.624 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.161 -9.000 4.163 1.00 0.00 H new ATOM 0 HG2 GLN A 91 5.042 -10.182 4.936 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.815 -11.706 4.549 1.00 0.00 H new ATOM 0 HE21 GLN A 91 8.547 -10.945 5.399 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.488 -10.847 7.162 1.00 0.00 H new ATOM 1443 N ALA A 92 6.787 -9.435 0.079 1.00 0.00 N ATOM 1444 CA ALA A 92 7.473 -8.795 -1.034 1.00 0.00 C ATOM 1445 C ALA A 92 6.434 -8.135 -1.936 1.00 0.00 C ATOM 1446 O ALA A 92 5.229 -8.338 -1.755 1.00 0.00 O ATOM 1447 CB ALA A 92 8.305 -9.828 -1.799 1.00 0.00 C ATOM 0 H ALA A 92 6.009 -10.026 -0.215 1.00 0.00 H new ATOM 0 HA ALA A 92 8.157 -8.029 -0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.815 -9.341 -2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 92 9.043 -10.269 -1.129 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.650 -10.610 -2.183 1.00 0.00 H new ATOM 1453 N THR A 93 6.905 -7.365 -2.912 1.00 0.00 N ATOM 1454 CA THR A 93 6.123 -6.894 -4.040 1.00 0.00 C ATOM 1455 C THR A 93 6.728 -7.549 -5.286 1.00 0.00 C ATOM 1456 O THR A 93 7.910 -7.909 -5.295 1.00 0.00 O ATOM 1457 CB THR A 93 6.014 -5.351 -4.025 1.00 0.00 C ATOM 1458 OG1 THR A 93 5.215 -4.914 -5.103 1.00 0.00 O ATOM 1459 CG2 THR A 93 7.350 -4.587 -4.006 1.00 0.00 C ATOM 0 H THR A 93 7.873 -7.044 -2.936 1.00 0.00 H new ATOM 0 HA THR A 93 5.075 -7.192 -4.008 1.00 0.00 H new ATOM 0 HB THR A 93 5.547 -5.111 -3.070 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.149 -3.936 -5.086 1.00 0.00 H new ATOM 0 HG21 THR A 93 7.156 -3.514 -3.997 1.00 0.00 H new ATOM 0 HG22 THR A 93 7.913 -4.862 -3.114 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.928 -4.843 -4.894 1.00 0.00 H new ATOM 1467 N THR A 94 5.904 -7.788 -6.301 1.00 0.00 N ATOM 1468 CA THR A 94 6.259 -8.457 -7.544 1.00 0.00 C ATOM 1469 C THR A 94 5.622 -7.651 -8.677 1.00 0.00 C ATOM 1470 O THR A 94 4.764 -6.799 -8.423 1.00 0.00 O ATOM 1471 CB THR A 94 5.782 -9.926 -7.510 1.00 0.00 C ATOM 1472 OG1 THR A 94 4.372 -10.014 -7.474 1.00 0.00 O ATOM 1473 CG2 THR A 94 6.332 -10.701 -6.304 1.00 0.00 C ATOM 0 H THR A 94 4.924 -7.506 -6.276 1.00 0.00 H new ATOM 0 HA THR A 94 7.338 -8.497 -7.694 1.00 0.00 H new ATOM 0 HB THR A 94 6.167 -10.372 -8.427 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.011 -9.272 -6.946 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.964 -11.727 -6.332 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.421 -10.705 -6.340 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.002 -10.222 -5.382 1.00 0.00 H new ATOM 1481 N LYS A 95 5.991 -7.894 -9.942 1.00 0.00 N ATOM 1482 CA LYS A 95 5.456 -7.046 -11.013 1.00 0.00 C ATOM 1483 C LYS A 95 3.936 -7.203 -11.174 1.00 0.00 C ATOM 1484 O LYS A 95 3.285 -6.303 -11.710 1.00 0.00 O ATOM 1485 CB LYS A 95 6.235 -7.217 -12.327 1.00 0.00 C ATOM 1486 CG LYS A 95 6.232 -5.879 -13.088 1.00 0.00 C ATOM 1487 CD LYS A 95 7.168 -5.877 -14.298 1.00 0.00 C ATOM 1488 CE LYS A 95 7.289 -4.443 -14.826 1.00 0.00 C ATOM 1489 NZ LYS A 95 8.176 -4.377 -16.001 1.00 0.00 N ATOM 0 H LYS A 95 6.627 -8.634 -10.239 1.00 0.00 H new ATOM 0 HA LYS A 95 5.610 -6.010 -10.712 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.258 -7.530 -12.120 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.779 -7.998 -12.936 1.00 0.00 H new ATOM 0 HG2 LYS A 95 5.217 -5.659 -13.420 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.525 -5.080 -12.407 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.149 -6.260 -14.017 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.780 -6.534 -15.076 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.301 -4.067 -15.092 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.676 -3.795 -14.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.237 -3.394 -16.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.125 -4.714 -15.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 7.793 -4.977 -16.759 1.00 0.00 H new ATOM 1503 N THR A 96 3.356 -8.297 -10.676 1.00 0.00 N ATOM 1504 CA THR A 96 1.920 -8.442 -10.491 1.00 0.00 C ATOM 1505 C THR A 96 1.393 -7.368 -9.530 1.00 0.00 C ATOM 1506 O THR A 96 0.545 -6.566 -9.917 1.00 0.00 O ATOM 1507 CB THR A 96 1.614 -9.866 -9.994 1.00 0.00 C ATOM 1508 OG1 THR A 96 2.070 -10.805 -10.947 1.00 0.00 O ATOM 1509 CG2 THR A 96 0.117 -10.105 -9.779 1.00 0.00 C ATOM 0 H THR A 96 3.885 -9.119 -10.386 1.00 0.00 H new ATOM 0 HA THR A 96 1.406 -8.297 -11.441 1.00 0.00 H new ATOM 0 HB THR A 96 2.123 -9.983 -9.037 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.877 -11.712 -10.631 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.042 -11.125 -9.429 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.260 -9.403 -9.036 1.00 0.00 H new ATOM 0 HG23 THR A 96 -0.414 -9.958 -10.720 1.00 0.00 H new ATOM 1517 N THR A 97 1.853 -7.346 -8.279 1.00 0.00 N ATOM 1518 CA THR A 97 1.263 -6.558 -7.200 1.00 0.00 C ATOM 1519 C THR A 97 1.749 -5.106 -7.205 1.00 0.00 C ATOM 1520 O THR A 97 1.229 -4.282 -6.459 1.00 0.00 O ATOM 1521 CB THR A 97 1.585 -7.252 -5.869 1.00 0.00 C ATOM 1522 OG1 THR A 97 2.945 -7.625 -5.824 1.00 0.00 O ATOM 1523 CG2 THR A 97 0.763 -8.528 -5.707 1.00 0.00 C ATOM 0 H THR A 97 2.664 -7.888 -7.982 1.00 0.00 H new ATOM 0 HA THR A 97 0.184 -6.508 -7.345 1.00 0.00 H new ATOM 0 HB THR A 97 1.350 -6.545 -5.074 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.135 -8.065 -4.969 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.009 -9.001 -4.756 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.299 -8.282 -5.726 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.991 -9.214 -6.523 1.00 0.00 H new ATOM 1531 N PHE A 98 2.691 -4.772 -8.079 1.00 0.00 N ATOM 1532 CA PHE A 98 3.211 -3.439 -8.325 1.00 0.00 C ATOM 1533 C PHE A 98 2.123 -2.598 -8.988 1.00 0.00 C ATOM 1534 O PHE A 98 1.779 -1.530 -8.487 1.00 0.00 O ATOM 1535 CB PHE A 98 4.495 -3.565 -9.163 1.00 0.00 C ATOM 1536 CG PHE A 98 4.747 -2.537 -10.250 1.00 0.00 C ATOM 1537 CD1 PHE A 98 5.444 -1.351 -9.965 1.00 0.00 C ATOM 1538 CD2 PHE A 98 4.361 -2.816 -11.575 1.00 0.00 C ATOM 1539 CE1 PHE A 98 5.752 -0.444 -10.994 1.00 0.00 C ATOM 1540 CE2 PHE A 98 4.653 -1.903 -12.603 1.00 0.00 C ATOM 1541 CZ PHE A 98 5.350 -0.718 -12.313 1.00 0.00 C ATOM 0 H PHE A 98 3.138 -5.472 -8.671 1.00 0.00 H new ATOM 0 HA PHE A 98 3.480 -2.927 -7.401 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.343 -3.540 -8.478 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.492 -4.550 -9.631 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.745 -1.135 -8.950 1.00 0.00 H new ATOM 0 HD2 PHE A 98 3.839 -3.734 -11.802 1.00 0.00 H new ATOM 0 HE1 PHE A 98 6.297 0.462 -10.772 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.342 -2.112 -13.616 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.577 -0.018 -13.103 1.00 0.00 H new ATOM 1551 N LYS A 99 1.536 -3.107 -10.078 1.00 0.00 N ATOM 1552 CA LYS A 99 0.502 -2.442 -10.871 1.00 0.00 C ATOM 1553 C LYS A 99 -0.655 -1.918 -10.010 1.00 0.00 C ATOM 1554 O LYS A 99 -0.980 -0.738 -10.170 1.00 0.00 O ATOM 1555 CB LYS A 99 -0.045 -3.412 -11.924 1.00 0.00 C ATOM 1556 CG LYS A 99 0.790 -3.487 -13.202 1.00 0.00 C ATOM 1557 CD LYS A 99 0.817 -2.221 -14.066 1.00 0.00 C ATOM 1558 CE LYS A 99 1.248 -2.624 -15.484 1.00 0.00 C ATOM 1559 NZ LYS A 99 1.347 -1.469 -16.395 1.00 0.00 N ATOM 0 H LYS A 99 1.779 -4.028 -10.443 1.00 0.00 H new ATOM 0 HA LYS A 99 0.968 -1.582 -11.351 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.108 -4.408 -11.486 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.060 -3.113 -12.184 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.815 -3.737 -12.928 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.413 -4.309 -13.810 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.167 -1.752 -14.085 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.511 -1.490 -13.650 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.213 -3.129 -15.437 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.533 -3.340 -15.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.641 -1.795 -17.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.421 -1.001 -16.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.049 -0.796 -16.027 1.00 0.00 H new ATOM 1573 N PRO A 100 -1.302 -2.724 -9.144 1.00 0.00 N ATOM 1574 CA PRO A 100 -2.356 -2.222 -8.274 1.00 0.00 C ATOM 1575 C PRO A 100 -1.766 -1.286 -7.223 1.00 0.00 C ATOM 1576 O PRO A 100 -2.365 -0.252 -6.954 1.00 0.00 O ATOM 1577 CB PRO A 100 -3.019 -3.463 -7.671 1.00 0.00 C ATOM 1578 CG PRO A 100 -1.888 -4.483 -7.641 1.00 0.00 C ATOM 1579 CD PRO A 100 -1.123 -4.156 -8.921 1.00 0.00 C ATOM 0 HA PRO A 100 -3.099 -1.628 -8.806 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.410 -3.266 -6.673 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.856 -3.808 -8.278 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.264 -4.372 -6.754 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.263 -5.506 -7.641 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.067 -4.406 -8.819 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.507 -4.733 -9.763 1.00 0.00 H new ATOM 1587 N ASN A 101 -0.573 -1.556 -6.679 1.00 0.00 N ATOM 1588 CA ASN A 101 -0.035 -0.742 -5.607 1.00 0.00 C ATOM 1589 C ASN A 101 0.193 0.704 -6.026 1.00 0.00 C ATOM 1590 O ASN A 101 0.030 1.594 -5.195 1.00 0.00 O ATOM 1591 CB ASN A 101 1.249 -1.360 -5.059 1.00 0.00 C ATOM 1592 CG ASN A 101 0.963 -2.108 -3.770 1.00 0.00 C ATOM 1593 OD1 ASN A 101 0.553 -1.501 -2.786 1.00 0.00 O ATOM 1594 ND2 ASN A 101 1.102 -3.417 -3.753 1.00 0.00 N ATOM 0 H ASN A 101 0.027 -2.329 -6.968 1.00 0.00 H new ATOM 0 HA ASN A 101 -0.783 -0.722 -4.815 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.677 -2.040 -5.795 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.988 -0.580 -4.879 1.00 0.00 H new ATOM 0 HD21 ASN A 101 0.867 -3.944 -2.912 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.444 -3.904 -4.581 1.00 0.00 H new ATOM 1601 N THR A 102 0.494 0.982 -7.300 1.00 0.00 N ATOM 1602 CA THR A 102 0.636 2.368 -7.744 1.00 0.00 C ATOM 1603 C THR A 102 -0.654 3.190 -7.540 1.00 0.00 C ATOM 1604 O THR A 102 -0.588 4.416 -7.423 1.00 0.00 O ATOM 1605 CB THR A 102 1.198 2.479 -9.177 1.00 0.00 C ATOM 1606 OG1 THR A 102 0.202 2.752 -10.140 1.00 0.00 O ATOM 1607 CG2 THR A 102 1.950 1.265 -9.726 1.00 0.00 C ATOM 0 H THR A 102 0.641 0.281 -8.026 1.00 0.00 H new ATOM 0 HA THR A 102 1.386 2.820 -7.095 1.00 0.00 H new ATOM 0 HB THR A 102 1.903 3.299 -9.040 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.613 2.813 -11.027 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.291 1.476 -10.740 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.810 1.052 -9.091 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.286 0.401 -9.739 1.00 0.00 H new ATOM 1615 N TRP A 103 -1.821 2.541 -7.467 1.00 0.00 N ATOM 1616 CA TRP A 103 -3.093 3.177 -7.172 1.00 0.00 C ATOM 1617 C TRP A 103 -3.250 3.462 -5.682 1.00 0.00 C ATOM 1618 O TRP A 103 -3.861 4.471 -5.333 1.00 0.00 O ATOM 1619 CB TRP A 103 -4.243 2.266 -7.586 1.00 0.00 C ATOM 1620 CG TRP A 103 -4.492 2.069 -9.041 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -3.983 1.081 -9.800 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -5.461 2.762 -9.874 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -4.633 1.056 -11.015 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -5.590 2.050 -11.101 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -6.305 3.872 -9.672 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -6.563 2.394 -12.054 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -7.257 4.246 -10.634 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -7.401 3.496 -11.811 1.00 0.00 C ATOM 0 H TRP A 103 -1.901 1.535 -7.616 1.00 0.00 H new ATOM 0 HA TRP A 103 -3.113 4.115 -7.727 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -4.069 1.286 -7.142 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -5.157 2.660 -7.141 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -3.189 0.412 -9.503 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.433 0.387 -11.759 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -6.218 4.445 -8.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -6.666 1.819 -12.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -7.880 5.113 -10.468 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -8.158 3.766 -12.532 1.00 0.00 H new ATOM 1639 N CYS A 104 -2.745 2.603 -4.793 1.00 0.00 N ATOM 1640 CA CYS A 104 -2.740 2.920 -3.376 1.00 0.00 C ATOM 1641 C CYS A 104 -1.713 4.015 -3.118 1.00 0.00 C ATOM 1642 O CYS A 104 -1.987 4.901 -2.327 1.00 0.00 O ATOM 1643 CB CYS A 104 -2.451 1.660 -2.559 1.00 0.00 C ATOM 1644 SG CYS A 104 -2.478 2.025 -0.781 1.00 0.00 S ATOM 0 H CYS A 104 -2.341 1.697 -5.031 1.00 0.00 H new ATOM 0 HA CYS A 104 -3.718 3.288 -3.066 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -3.192 0.894 -2.789 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -1.478 1.256 -2.837 1.00 0.00 H new ATOM 0 HG CYS A 104 -3.332 2.977 -0.546 1.00 0.00 H new ATOM 1650 N LEU A 105 -0.576 4.063 -3.826 1.00 0.00 N ATOM 1651 CA LEU A 105 0.390 5.122 -3.563 1.00 0.00 C ATOM 1652 C LEU A 105 -0.268 6.467 -3.873 1.00 0.00 C ATOM 1653 O LEU A 105 -0.092 7.405 -3.100 1.00 0.00 O ATOM 1654 CB LEU A 105 1.684 4.853 -4.363 1.00 0.00 C ATOM 1655 CG LEU A 105 2.509 3.676 -3.802 1.00 0.00 C ATOM 1656 CD1 LEU A 105 3.650 3.341 -4.762 1.00 0.00 C ATOM 1657 CD2 LEU A 105 3.091 3.968 -2.419 1.00 0.00 C ATOM 0 H LEU A 105 -0.314 3.403 -4.559 1.00 0.00 H new ATOM 0 HA LEU A 105 0.687 5.147 -2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.426 4.645 -5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.299 5.753 -4.361 1.00 0.00 H new ATOM 0 HG LEU A 105 1.828 2.831 -3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.230 2.509 -4.362 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.239 3.063 -5.733 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.296 4.211 -4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.661 3.105 -2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.747 4.837 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.281 4.170 -1.719 1.00 0.00 H new ATOM 1669 N ARG A 106 -1.135 6.517 -4.893 1.00 0.00 N ATOM 1670 CA ARG A 106 -1.983 7.666 -5.209 1.00 0.00 C ATOM 1671 C ARG A 106 -2.987 8.012 -4.122 1.00 0.00 C ATOM 1672 O ARG A 106 -3.283 9.189 -3.966 1.00 0.00 O ATOM 1673 CB ARG A 106 -2.715 7.425 -6.536 1.00 0.00 C ATOM 1674 CG ARG A 106 -1.696 7.531 -7.660 1.00 0.00 C ATOM 1675 CD ARG A 106 -2.236 7.189 -9.045 1.00 0.00 C ATOM 1676 NE ARG A 106 -1.340 7.695 -10.092 1.00 0.00 N ATOM 1677 CZ ARG A 106 -0.170 7.163 -10.457 1.00 0.00 C ATOM 1678 NH1 ARG A 106 0.296 6.044 -9.901 1.00 0.00 N ATOM 1679 NH2 ARG A 106 0.532 7.788 -11.390 1.00 0.00 N ATOM 0 H ARG A 106 -1.267 5.737 -5.536 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.314 8.523 -5.289 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.185 6.441 -6.539 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.510 8.158 -6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.301 8.547 -7.680 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.860 6.868 -7.437 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.343 6.109 -9.142 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.229 7.620 -9.170 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.640 8.534 -10.589 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.244 5.571 -9.177 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.193 5.661 -10.200 1.00 0.00 H new ATOM 0 HH21 ARG A 106 0.175 8.648 -11.806 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.430 7.409 -11.692 1.00 0.00 H new ATOM 1693 N CYS A 107 -3.543 7.044 -3.392 1.00 0.00 N ATOM 1694 CA CYS A 107 -4.456 7.346 -2.304 1.00 0.00 C ATOM 1695 C CYS A 107 -3.711 7.919 -1.089 1.00 0.00 C ATOM 1696 O CYS A 107 -4.359 8.510 -0.231 1.00 0.00 O ATOM 1697 CB CYS A 107 -5.318 6.109 -2.004 1.00 0.00 C ATOM 1698 SG CYS A 107 -4.610 4.906 -0.842 1.00 0.00 S ATOM 0 H CYS A 107 -3.374 6.049 -3.539 1.00 0.00 H new ATOM 0 HA CYS A 107 -5.142 8.140 -2.598 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.276 6.446 -1.608 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -5.524 5.598 -2.944 1.00 0.00 H new ATOM 0 HG CYS A 107 -3.341 4.763 -1.085 1.00 0.00 H new ATOM 1704 N LEU A 108 -2.381 7.761 -1.031 1.00 0.00 N ATOM 1705 CA LEU A 108 -1.517 8.218 0.056 1.00 0.00 C ATOM 1706 C LEU A 108 -0.843 9.560 -0.263 1.00 0.00 C ATOM 1707 O LEU A 108 -0.212 10.128 0.632 1.00 0.00 O ATOM 1708 CB LEU A 108 -0.431 7.155 0.340 1.00 0.00 C ATOM 1709 CG LEU A 108 -0.958 5.764 0.735 1.00 0.00 C ATOM 1710 CD1 LEU A 108 0.189 4.755 0.706 1.00 0.00 C ATOM 1711 CD2 LEU A 108 -1.629 5.761 2.113 1.00 0.00 C ATOM 0 H LEU A 108 -1.861 7.292 -1.772 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.147 8.362 0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.192 7.050 -0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.213 7.522 1.140 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.721 5.483 0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.185 3.770 0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.610 4.711 -0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.962 5.063 1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.983 4.756 2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.909 6.074 2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.473 6.451 2.108 1.00 0.00 H new ATOM 1723 N TRP A 109 -0.918 10.058 -1.506 1.00 0.00 N ATOM 1724 CA TRP A 109 -0.446 11.375 -1.903 1.00 0.00 C ATOM 1725 C TRP A 109 -1.214 12.449 -1.123 1.00 0.00 C ATOM 1726 O TRP A 109 -2.228 12.172 -0.483 1.00 0.00 O ATOM 1727 CB TRP A 109 -0.615 11.514 -3.425 1.00 0.00 C ATOM 1728 CG TRP A 109 0.257 10.636 -4.276 1.00 0.00 C ATOM 1729 CD1 TRP A 109 1.259 9.850 -3.830 1.00 0.00 C ATOM 1730 CD2 TRP A 109 0.251 10.460 -5.724 1.00 0.00 C ATOM 1731 NE1 TRP A 109 1.807 9.138 -4.874 1.00 0.00 N ATOM 1732 CE2 TRP A 109 1.250 9.504 -6.077 1.00 0.00 C ATOM 1733 CE3 TRP A 109 -0.504 11.005 -6.779 1.00 0.00 C ATOM 1734 CZ2 TRP A 109 1.489 9.121 -7.406 1.00 0.00 C ATOM 1735 CZ3 TRP A 109 -0.217 10.703 -8.123 1.00 0.00 C ATOM 1736 CH2 TRP A 109 0.766 9.748 -8.434 1.00 0.00 C ATOM 0 H TRP A 109 -1.323 9.532 -2.280 1.00 0.00 H new ATOM 0 HA TRP A 109 0.610 11.505 -1.668 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -1.656 11.306 -3.674 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -0.424 12.552 -3.697 1.00 0.00 H new ATOM 0 HD1 TRP A 109 1.585 9.788 -2.802 1.00 0.00 H new ATOM 0 HE1 TRP A 109 2.533 8.430 -4.768 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -1.323 11.671 -6.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.217 8.357 -7.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -0.752 11.205 -8.915 1.00 0.00 H new ATOM 0 HH2 TRP A 109 0.966 9.496 -9.465 1.00 0.00 H new ATOM 1747 N SER A 110 -0.739 13.684 -1.179 1.00 0.00 N ATOM 1748 CA SER A 110 -1.480 14.868 -0.779 1.00 0.00 C ATOM 1749 C SER A 110 -1.970 15.555 -2.051 1.00 0.00 C ATOM 1750 O SER A 110 -1.322 15.487 -3.100 1.00 0.00 O ATOM 1751 CB SER A 110 -0.567 15.792 0.040 1.00 0.00 C ATOM 1752 OG SER A 110 -0.352 15.273 1.340 1.00 0.00 O ATOM 0 H SER A 110 0.201 13.895 -1.514 1.00 0.00 H new ATOM 0 HA SER A 110 -2.334 14.610 -0.152 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.389 15.910 -0.471 1.00 0.00 H new ATOM 0 HB3 SER A 110 -1.016 16.783 0.110 1.00 0.00 H new ATOM 0 HG SER A 110 0.234 15.878 1.841 1.00 0.00 H new