USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 730 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 70 ASN : amide:sc= 0.914 K(o=2,f=-4.6!) USER MOD Set 1.2: A 99 HIS : no HD1:sc= 1.11 K(o=2,f=-8.2!) USER MOD Set 2.1: A 19 CYS SG : rot -30:sc= -3.7 USER MOD Set 2.2: A 21 MET CE :methyl -132:sc= -2.84 (180deg=-1.01) USER MOD Single : A 8 LYS NZ :NH3+ 159:sc= 0.103 (180deg=-0.674) USER MOD Single : A 10 SER OG : rot 1:sc= 0.274 USER MOD Single : A 11 ASN : amide:sc= 0.017 K(o=0.017,f=-0.71) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.016!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0.0171 X(o=0.017,f=-0.026) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.095) USER MOD Single : A 46 ASN : amide:sc= -1.62! C(o=-1.6!,f=-2.1!) USER MOD Single : A 51 THR OG1 : rot -120:sc= 0.813 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 CYS SG : rot 180:sc= -0.0707 USER MOD Single : A 58 SER OG : rot 180:sc= 0.0886 USER MOD Single : A 60 ASN : amide:sc= -0.0701 K(o=-0.07,f=-3.4!) USER MOD Single : A 64 LYS NZ :NH3+ -155:sc= -0.132 (180deg=-0.874) USER MOD Single : A 65 ASN : amide:sc= -0.0255 X(o=-0.026,f=-0.38) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.38 K(o=-0.38,f=-4.4!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 63:sc= 0.479 USER MOD Single : A 85 LYS NZ :NH3+ 157:sc= -0.0762 (180deg=-0.438) USER MOD Single : A 86 THR OG1 : rot -85:sc= 0.768 USER MOD Single : A 87 LYS NZ :NH3+ -141:sc= -0.362 (180deg=-1.35!) USER MOD Single : A 88 SER OG : rot 29:sc= 0.107 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 MET CE :methyl -177:sc= -0.948 (180deg=-1.07) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -7.870 19.386 -5.148 1.00 0.00 N ATOM 67 CA LYS A 8 -6.986 18.454 -4.457 1.00 0.00 C ATOM 68 C LYS A 8 -6.251 19.146 -3.314 1.00 0.00 C ATOM 69 O LYS A 8 -5.856 20.307 -3.430 1.00 0.00 O ATOM 70 CB LYS A 8 -5.976 17.855 -5.438 1.00 0.00 C ATOM 71 CG LYS A 8 -6.502 16.644 -6.189 1.00 0.00 C ATOM 72 CD LYS A 8 -5.831 16.492 -7.544 1.00 0.00 C ATOM 73 CE LYS A 8 -6.732 15.773 -8.535 1.00 0.00 C ATOM 74 NZ LYS A 8 -6.651 14.294 -8.387 1.00 0.00 N ATOM 0 HA LYS A 8 -7.598 17.654 -4.040 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.684 18.620 -6.158 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.076 17.571 -4.892 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.333 15.745 -5.596 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.579 16.739 -6.324 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.571 17.476 -7.935 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.899 15.938 -7.430 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.763 16.096 -8.390 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.451 16.052 -9.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.500 13.857 -8.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.806 13.942 -8.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.591 14.049 -7.378 1.00 0.00 H new ATOM 88 N ILE A 9 -6.071 18.427 -2.211 1.00 0.00 N ATOM 89 CA ILE A 9 -5.381 18.972 -1.049 1.00 0.00 C ATOM 90 C ILE A 9 -3.914 19.249 -1.360 1.00 0.00 C ATOM 91 O ILE A 9 -3.377 20.293 -0.990 1.00 0.00 O ATOM 92 CB ILE A 9 -5.468 18.017 0.156 1.00 0.00 C ATOM 93 CG1 ILE A 9 -6.930 17.736 0.508 1.00 0.00 C ATOM 94 CG2 ILE A 9 -4.733 18.605 1.352 1.00 0.00 C ATOM 95 CD1 ILE A 9 -7.546 16.624 -0.312 1.00 0.00 C ATOM 0 H ILE A 9 -6.393 17.466 -2.098 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.879 19.908 -0.797 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.991 17.074 -0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.998 17.477 1.565 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.511 18.647 0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.803 17.919 2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.685 18.758 1.095 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.184 19.560 1.623 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.583 16.480 -0.009 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.511 16.889 -1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.989 15.701 -0.150 1.00 0.00 H new ATOM 107 N SER A 10 -3.272 18.307 -2.043 1.00 0.00 N ATOM 108 CA SER A 10 -1.866 18.447 -2.403 1.00 0.00 C ATOM 109 C SER A 10 -1.537 17.622 -3.643 1.00 0.00 C ATOM 110 O SER A 10 -2.381 16.888 -4.155 1.00 0.00 O ATOM 111 CB SER A 10 -0.974 18.016 -1.237 1.00 0.00 C ATOM 112 OG SER A 10 -1.154 18.863 -0.116 1.00 0.00 O ATOM 0 H SER A 10 -3.703 17.438 -2.358 1.00 0.00 H new ATOM 0 HA SER A 10 -1.677 19.497 -2.627 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.204 16.987 -0.960 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.071 18.036 -1.548 1.00 0.00 H new ATOM 0 HG SER A 10 -1.827 19.544 -0.325 1.00 0.00 H new ATOM 118 N ASN A 11 -0.303 17.748 -4.120 1.00 0.00 N ATOM 119 CA ASN A 11 0.139 17.015 -5.301 1.00 0.00 C ATOM 120 C ASN A 11 1.334 16.125 -4.972 1.00 0.00 C ATOM 121 O ASN A 11 2.072 15.706 -5.865 1.00 0.00 O ATOM 122 CB ASN A 11 0.506 17.987 -6.423 1.00 0.00 C ATOM 123 CG ASN A 11 1.073 19.291 -5.896 1.00 0.00 C ATOM 124 OD1 ASN A 11 1.999 19.295 -5.086 1.00 0.00 O ATOM 125 ND2 ASN A 11 0.517 20.406 -6.356 1.00 0.00 N ATOM 0 H ASN A 11 0.409 18.351 -3.707 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.683 16.381 -5.634 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.235 17.517 -7.083 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.379 18.195 -7.024 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.856 21.314 -6.038 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.249 20.354 -7.027 1.00 0.00 H new ATOM 132 N ILE A 12 1.518 15.840 -3.688 1.00 0.00 N ATOM 133 CA ILE A 12 2.622 14.999 -3.242 1.00 0.00 C ATOM 134 C ILE A 12 2.625 13.662 -3.976 1.00 0.00 C ATOM 135 O ILE A 12 3.683 13.123 -4.300 1.00 0.00 O ATOM 136 CB ILE A 12 2.555 14.739 -1.725 1.00 0.00 C ATOM 137 CG1 ILE A 12 1.280 13.970 -1.373 1.00 0.00 C ATOM 138 CG2 ILE A 12 2.616 16.053 -0.960 1.00 0.00 C ATOM 139 CD1 ILE A 12 1.051 13.828 0.115 1.00 0.00 C ATOM 0 H ILE A 12 0.917 16.179 -2.937 1.00 0.00 H new ATOM 0 HA ILE A 12 3.542 15.538 -3.469 1.00 0.00 H new ATOM 0 HB ILE A 12 3.414 14.132 -1.437 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.424 14.479 -1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.329 12.978 -1.821 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.568 15.853 0.110 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.549 16.566 -1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.775 16.682 -1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.130 13.273 0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.888 13.292 0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.970 14.817 0.567 1.00 0.00 H new ATOM 151 N PHE A 13 1.434 13.134 -4.236 1.00 0.00 N ATOM 152 CA PHE A 13 1.299 11.860 -4.933 1.00 0.00 C ATOM 153 C PHE A 13 1.031 12.079 -6.420 1.00 0.00 C ATOM 154 O PHE A 13 0.488 11.207 -7.097 1.00 0.00 O ATOM 155 CB PHE A 13 0.169 11.034 -4.316 1.00 0.00 C ATOM 156 CG PHE A 13 0.321 10.821 -2.837 1.00 0.00 C ATOM 157 CD1 PHE A 13 1.569 10.586 -2.282 1.00 0.00 C ATOM 158 CD2 PHE A 13 -0.784 10.855 -2.001 1.00 0.00 C ATOM 159 CE1 PHE A 13 1.713 10.390 -0.921 1.00 0.00 C ATOM 160 CE2 PHE A 13 -0.646 10.660 -0.640 1.00 0.00 C ATOM 161 CZ PHE A 13 0.603 10.426 -0.099 1.00 0.00 C ATOM 0 H PHE A 13 0.549 13.568 -3.975 1.00 0.00 H new ATOM 0 HA PHE A 13 2.237 11.315 -4.827 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.781 11.533 -4.507 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.126 10.064 -4.812 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.440 10.556 -2.920 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.764 11.036 -2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.691 10.209 -0.501 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.515 10.691 0.001 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.712 10.271 0.964 1.00 0.00 H new ATOM 171 N GLU A 14 1.415 13.250 -6.918 1.00 0.00 N ATOM 172 CA GLU A 14 1.215 13.584 -8.323 1.00 0.00 C ATOM 173 C GLU A 14 1.811 12.510 -9.228 1.00 0.00 C ATOM 174 O GLU A 14 2.921 12.031 -8.994 1.00 0.00 O ATOM 175 CB GLU A 14 1.843 14.942 -8.642 1.00 0.00 C ATOM 176 CG GLU A 14 1.820 15.291 -10.121 1.00 0.00 C ATOM 177 CD GLU A 14 2.916 16.266 -10.507 1.00 0.00 C ATOM 178 OE1 GLU A 14 2.787 17.464 -10.179 1.00 0.00 O ATOM 179 OE2 GLU A 14 3.901 15.830 -11.138 1.00 0.00 O ATOM 0 H GLU A 14 1.866 13.983 -6.370 1.00 0.00 H new ATOM 0 HA GLU A 14 0.142 13.636 -8.508 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.315 15.717 -8.086 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.875 14.947 -8.292 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.927 14.379 -10.708 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.851 15.721 -10.374 1.00 0.00 H new ATOM 186 N ASP A 15 1.066 12.135 -10.262 1.00 0.00 N ATOM 187 CA ASP A 15 1.520 11.118 -11.203 1.00 0.00 C ATOM 188 C ASP A 15 2.077 9.904 -10.465 1.00 0.00 C ATOM 189 O ASP A 15 3.115 9.359 -10.840 1.00 0.00 O ATOM 190 CB ASP A 15 2.586 11.695 -12.137 1.00 0.00 C ATOM 191 CG ASP A 15 3.792 12.221 -11.383 1.00 0.00 C ATOM 192 OD1 ASP A 15 4.485 11.411 -10.734 1.00 0.00 O ATOM 193 OD2 ASP A 15 4.042 13.443 -11.444 1.00 0.00 O ATOM 0 H ASP A 15 0.145 12.520 -10.470 1.00 0.00 H new ATOM 0 HA ASP A 15 0.663 10.799 -11.796 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.907 10.924 -12.838 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.150 12.501 -12.727 1.00 0.00 H new ATOM 198 N VAL A 16 1.380 9.487 -9.413 1.00 0.00 N ATOM 199 CA VAL A 16 1.804 8.338 -8.622 1.00 0.00 C ATOM 200 C VAL A 16 0.682 7.315 -8.493 1.00 0.00 C ATOM 201 O VAL A 16 -0.373 7.604 -7.930 1.00 0.00 O ATOM 202 CB VAL A 16 2.260 8.764 -7.214 1.00 0.00 C ATOM 203 CG1 VAL A 16 2.727 7.556 -6.415 1.00 0.00 C ATOM 204 CG2 VAL A 16 3.360 9.811 -7.304 1.00 0.00 C ATOM 0 H VAL A 16 0.519 9.928 -9.089 1.00 0.00 H new ATOM 0 HA VAL A 16 2.645 7.885 -9.147 1.00 0.00 H new ATOM 0 HB VAL A 16 1.410 9.207 -6.695 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.045 7.877 -5.423 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.908 6.843 -6.320 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.563 7.081 -6.928 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.670 10.100 -6.300 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.213 9.397 -7.842 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.986 10.687 -7.835 1.00 0.00 H new ATOM 214 N GLU A 17 0.917 6.117 -9.019 1.00 0.00 N ATOM 215 CA GLU A 17 -0.076 5.050 -8.963 1.00 0.00 C ATOM 216 C GLU A 17 -0.108 4.410 -7.578 1.00 0.00 C ATOM 217 O GLU A 17 0.890 4.412 -6.857 1.00 0.00 O ATOM 218 CB GLU A 17 0.225 3.987 -10.022 1.00 0.00 C ATOM 219 CG GLU A 17 -1.013 3.267 -10.530 1.00 0.00 C ATOM 220 CD GLU A 17 -1.633 3.951 -11.733 1.00 0.00 C ATOM 221 OE1 GLU A 17 -1.455 5.179 -11.875 1.00 0.00 O ATOM 222 OE2 GLU A 17 -2.295 3.258 -12.533 1.00 0.00 O ATOM 0 H GLU A 17 1.786 5.861 -9.488 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.054 5.487 -9.165 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.732 4.458 -10.864 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.915 3.254 -9.604 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.750 2.243 -10.794 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.750 3.210 -9.729 1.00 0.00 H new ATOM 229 N PHE A 18 -1.262 3.862 -7.213 1.00 0.00 N ATOM 230 CA PHE A 18 -1.427 3.219 -5.915 1.00 0.00 C ATOM 231 C PHE A 18 -2.402 2.049 -6.007 1.00 0.00 C ATOM 232 O PHE A 18 -3.452 2.151 -6.641 1.00 0.00 O ATOM 233 CB PHE A 18 -1.923 4.231 -4.880 1.00 0.00 C ATOM 234 CG PHE A 18 -1.003 5.404 -4.699 1.00 0.00 C ATOM 235 CD1 PHE A 18 -1.149 6.542 -5.475 1.00 0.00 C ATOM 236 CD2 PHE A 18 0.009 5.368 -3.753 1.00 0.00 C ATOM 237 CE1 PHE A 18 -0.304 7.624 -5.311 1.00 0.00 C ATOM 238 CE2 PHE A 18 0.856 6.446 -3.584 1.00 0.00 C ATOM 239 CZ PHE A 18 0.701 7.575 -4.364 1.00 0.00 C ATOM 0 H PHE A 18 -2.097 3.850 -7.798 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.456 2.836 -5.602 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.906 4.594 -5.180 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.048 3.727 -3.922 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.932 6.585 -6.217 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.137 4.487 -3.141 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.429 8.506 -5.922 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.640 6.406 -2.842 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.364 8.418 -4.234 1.00 0.00 H new ATOM 249 N CYS A 19 -2.046 0.939 -5.370 1.00 0.00 N ATOM 250 CA CYS A 19 -2.888 -0.252 -5.381 1.00 0.00 C ATOM 251 C CYS A 19 -3.130 -0.760 -3.963 1.00 0.00 C ATOM 252 O CYS A 19 -2.216 -1.259 -3.306 1.00 0.00 O ATOM 253 CB CYS A 19 -2.241 -1.352 -6.225 1.00 0.00 C ATOM 254 SG CYS A 19 -3.425 -2.461 -7.023 1.00 0.00 S ATOM 0 H CYS A 19 -1.180 0.839 -4.840 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.848 0.017 -5.821 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -1.619 -0.889 -6.991 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -1.579 -1.941 -5.590 1.00 0.00 H new ATOM 0 HG CYS A 19 -4.496 -2.551 -6.292 1.00 0.00 H new ATOM 260 N VAL A 20 -4.367 -0.627 -3.495 1.00 0.00 N ATOM 261 CA VAL A 20 -4.730 -1.071 -2.155 1.00 0.00 C ATOM 262 C VAL A 20 -5.403 -2.438 -2.192 1.00 0.00 C ATOM 263 O VAL A 20 -6.386 -2.638 -2.905 1.00 0.00 O ATOM 264 CB VAL A 20 -5.672 -0.065 -1.466 1.00 0.00 C ATOM 265 CG1 VAL A 20 -6.052 -0.555 -0.077 1.00 0.00 C ATOM 266 CG2 VAL A 20 -5.025 1.310 -1.398 1.00 0.00 C ATOM 0 H VAL A 20 -5.135 -0.215 -4.025 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.804 -1.141 -1.583 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.584 0.017 -2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.718 0.168 0.394 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.559 -1.517 -0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.152 -0.668 0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.704 2.008 -0.908 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.097 1.248 -0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.810 1.661 -2.407 1.00 0.00 H new ATOM 276 N MET A 21 -4.867 -3.377 -1.420 1.00 0.00 N ATOM 277 CA MET A 21 -5.417 -4.726 -1.363 1.00 0.00 C ATOM 278 C MET A 21 -6.336 -4.888 -0.157 1.00 0.00 C ATOM 279 O MET A 21 -7.400 -5.499 -0.253 1.00 0.00 O ATOM 280 CB MET A 21 -4.289 -5.758 -1.303 1.00 0.00 C ATOM 281 CG MET A 21 -3.605 -5.990 -2.640 1.00 0.00 C ATOM 282 SD MET A 21 -3.399 -4.470 -3.588 1.00 0.00 S ATOM 283 CE MET A 21 -3.263 -5.123 -5.250 1.00 0.00 C ATOM 0 H MET A 21 -4.052 -3.229 -0.825 1.00 0.00 H new ATOM 0 HA MET A 21 -6.002 -4.891 -2.268 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.546 -5.430 -0.576 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.692 -6.704 -0.942 1.00 0.00 H new ATOM 0 HG2 MET A 21 -2.628 -6.443 -2.470 1.00 0.00 H new ATOM 0 HG3 MET A 21 -4.189 -6.701 -3.224 1.00 0.00 H new ATOM 0 HE1 MET A 21 -2.408 -4.669 -5.751 1.00 0.00 H new ATOM 0 HE2 MET A 21 -3.126 -6.203 -5.206 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.172 -4.895 -5.806 1.00 0.00 H new ATOM 293 N SER A 22 -5.917 -4.338 0.979 1.00 0.00 N ATOM 294 CA SER A 22 -6.701 -4.426 2.205 1.00 0.00 C ATOM 295 C SER A 22 -6.277 -3.349 3.199 1.00 0.00 C ATOM 296 O SER A 22 -5.130 -2.905 3.198 1.00 0.00 O ATOM 297 CB SER A 22 -6.545 -5.810 2.838 1.00 0.00 C ATOM 298 OG SER A 22 -7.317 -5.921 4.021 1.00 0.00 O ATOM 0 H SER A 22 -5.039 -3.827 1.075 1.00 0.00 H new ATOM 0 HA SER A 22 -7.749 -4.268 1.949 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.853 -6.576 2.126 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.495 -5.992 3.067 1.00 0.00 H new ATOM 0 HG SER A 22 -7.201 -6.815 4.405 1.00 0.00 H new ATOM 304 N GLY A 23 -7.213 -2.933 4.047 1.00 0.00 N ATOM 305 CA GLY A 23 -6.918 -1.912 5.035 1.00 0.00 C ATOM 306 C GLY A 23 -6.966 -2.446 6.453 1.00 0.00 C ATOM 307 O GLY A 23 -6.751 -3.636 6.685 1.00 0.00 O ATOM 0 H GLY A 23 -8.170 -3.285 4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.929 -1.497 4.840 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.633 -1.095 4.933 1.00 0.00 H new ATOM 311 N THR A 24 -7.246 -1.563 7.407 1.00 0.00 N ATOM 312 CA THR A 24 -7.319 -1.951 8.810 1.00 0.00 C ATOM 313 C THR A 24 -8.649 -1.537 9.427 1.00 0.00 C ATOM 314 O THR A 24 -9.508 -0.971 8.751 1.00 0.00 O ATOM 315 CB THR A 24 -6.171 -1.327 9.625 1.00 0.00 C ATOM 316 OG1 THR A 24 -6.214 0.101 9.518 1.00 0.00 O ATOM 317 CG2 THR A 24 -4.822 -1.837 9.140 1.00 0.00 C ATOM 0 H THR A 24 -7.426 -0.574 7.233 1.00 0.00 H new ATOM 0 HA THR A 24 -7.230 -3.037 8.843 1.00 0.00 H new ATOM 0 HB THR A 24 -6.297 -1.617 10.668 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.482 0.490 10.040 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.027 -1.382 9.731 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.782 -2.921 9.251 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.690 -1.574 8.090 1.00 0.00 H new ATOM 325 N ASP A 25 -8.814 -1.822 10.714 1.00 0.00 N ATOM 326 CA ASP A 25 -10.040 -1.477 11.423 1.00 0.00 C ATOM 327 C ASP A 25 -10.308 0.023 11.348 1.00 0.00 C ATOM 328 O ASP A 25 -11.262 0.462 10.705 1.00 0.00 O ATOM 329 CB ASP A 25 -9.951 -1.919 12.885 1.00 0.00 C ATOM 330 CG ASP A 25 -9.860 -3.425 13.030 1.00 0.00 C ATOM 331 OD1 ASP A 25 -8.901 -4.016 12.491 1.00 0.00 O ATOM 332 OD2 ASP A 25 -10.749 -4.014 13.680 1.00 0.00 O ATOM 0 H ASP A 25 -8.113 -2.291 11.288 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.867 -2.000 10.943 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.078 -1.459 13.348 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.826 -1.557 13.425 1.00 0.00 H new ATOM 337 N SER A 26 -9.460 0.804 12.010 1.00 0.00 N ATOM 338 CA SER A 26 -9.608 2.255 12.022 1.00 0.00 C ATOM 339 C SER A 26 -9.911 2.782 10.623 1.00 0.00 C ATOM 340 O SER A 26 -10.835 3.573 10.433 1.00 0.00 O ATOM 341 CB SER A 26 -8.338 2.913 12.563 1.00 0.00 C ATOM 342 OG SER A 26 -8.383 3.024 13.975 1.00 0.00 O ATOM 0 H SER A 26 -8.664 0.457 12.545 1.00 0.00 H new ATOM 0 HA SER A 26 -10.445 2.505 12.674 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.467 2.327 12.269 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.221 3.902 12.121 1.00 0.00 H new ATOM 0 HG SER A 26 -7.559 3.446 14.296 1.00 0.00 H new ATOM 348 N GLN A 27 -9.126 2.337 9.647 1.00 0.00 N ATOM 349 CA GLN A 27 -9.309 2.764 8.265 1.00 0.00 C ATOM 350 C GLN A 27 -9.524 1.564 7.348 1.00 0.00 C ATOM 351 O GLN A 27 -8.673 0.681 7.231 1.00 0.00 O ATOM 352 CB GLN A 27 -8.098 3.571 7.793 1.00 0.00 C ATOM 353 CG GLN A 27 -7.693 4.677 8.754 1.00 0.00 C ATOM 354 CD GLN A 27 -8.668 5.838 8.751 1.00 0.00 C ATOM 355 OE1 GLN A 27 -9.685 5.811 9.444 1.00 0.00 O ATOM 356 NE2 GLN A 27 -8.361 6.867 7.970 1.00 0.00 N ATOM 0 H GLN A 27 -8.358 1.681 9.788 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.197 3.395 8.221 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.254 2.896 7.653 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.321 4.010 6.820 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.622 4.269 9.762 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.701 5.040 8.487 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.507 6.847 7.412 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.979 7.677 7.928 1.00 0.00 H new ATOM 365 N PRO A 28 -10.687 1.528 6.682 1.00 0.00 N ATOM 366 CA PRO A 28 -11.040 0.442 5.763 1.00 0.00 C ATOM 367 C PRO A 28 -10.200 0.461 4.491 1.00 0.00 C ATOM 368 O PRO A 28 -9.585 1.474 4.157 1.00 0.00 O ATOM 369 CB PRO A 28 -12.510 0.717 5.437 1.00 0.00 C ATOM 370 CG PRO A 28 -12.678 2.182 5.650 1.00 0.00 C ATOM 371 CD PRO A 28 -11.747 2.546 6.773 1.00 0.00 C ATOM 0 HA PRO A 28 -10.863 -0.539 6.205 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.747 0.436 4.411 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -13.173 0.144 6.085 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.434 2.738 4.745 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.710 2.424 5.905 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.348 3.553 6.653 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.251 2.516 7.739 1.00 0.00 H new ATOM 379 N LYS A 29 -10.178 -0.664 3.785 1.00 0.00 N ATOM 380 CA LYS A 29 -9.414 -0.776 2.548 1.00 0.00 C ATOM 381 C LYS A 29 -9.656 0.431 1.648 1.00 0.00 C ATOM 382 O LYS A 29 -8.732 1.159 1.283 1.00 0.00 O ATOM 383 CB LYS A 29 -9.791 -2.061 1.807 1.00 0.00 C ATOM 384 CG LYS A 29 -9.684 -1.946 0.296 1.00 0.00 C ATOM 385 CD LYS A 29 -9.652 -3.313 -0.367 1.00 0.00 C ATOM 386 CE LYS A 29 -11.056 -3.842 -0.620 1.00 0.00 C ATOM 387 NZ LYS A 29 -11.103 -5.330 -0.580 1.00 0.00 N ATOM 0 H LYS A 29 -10.681 -1.512 4.048 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.355 -0.809 2.806 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.145 -2.870 2.148 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.812 -2.336 2.071 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.530 -1.375 -0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.782 -1.393 0.035 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.111 -3.248 -1.311 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.107 -4.013 0.266 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.737 -3.437 0.128 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.406 -3.493 -1.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.076 -5.651 -0.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.472 -5.717 -1.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.793 -5.662 0.356 1.00 0.00 H new ATOM 401 N PRO A 30 -10.927 0.652 1.281 1.00 0.00 N ATOM 402 CA PRO A 30 -11.319 1.773 0.421 1.00 0.00 C ATOM 403 C PRO A 30 -11.185 3.119 1.125 1.00 0.00 C ATOM 404 O PRO A 30 -11.754 4.119 0.686 1.00 0.00 O ATOM 405 CB PRO A 30 -12.787 1.479 0.104 1.00 0.00 C ATOM 406 CG PRO A 30 -13.262 0.646 1.244 1.00 0.00 C ATOM 407 CD PRO A 30 -12.079 -0.174 1.678 1.00 0.00 C ATOM 0 HA PRO A 30 -10.685 1.851 -0.462 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.365 2.399 0.018 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.889 0.949 -0.843 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.624 1.271 2.060 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.091 0.006 0.941 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.090 -0.358 2.752 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.063 -1.147 1.188 1.00 0.00 H new ATOM 415 N ASP A 31 -10.430 3.137 2.218 1.00 0.00 N ATOM 416 CA ASP A 31 -10.220 4.361 2.982 1.00 0.00 C ATOM 417 C ASP A 31 -9.142 5.226 2.337 1.00 0.00 C ATOM 418 O ASP A 31 -9.364 6.403 2.051 1.00 0.00 O ATOM 419 CB ASP A 31 -9.830 4.028 4.422 1.00 0.00 C ATOM 420 CG ASP A 31 -9.814 5.252 5.316 1.00 0.00 C ATOM 421 OD1 ASP A 31 -10.903 5.684 5.749 1.00 0.00 O ATOM 422 OD2 ASP A 31 -8.713 5.780 5.581 1.00 0.00 O ATOM 0 H ASP A 31 -9.953 2.318 2.595 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.155 4.921 2.988 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.531 3.297 4.825 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.844 3.563 4.430 1.00 0.00 H new ATOM 427 N LEU A 32 -7.973 4.635 2.111 1.00 0.00 N ATOM 428 CA LEU A 32 -6.859 5.352 1.500 1.00 0.00 C ATOM 429 C LEU A 32 -7.128 5.619 0.022 1.00 0.00 C ATOM 430 O LEU A 32 -6.754 6.665 -0.507 1.00 0.00 O ATOM 431 CB LEU A 32 -5.565 4.552 1.658 1.00 0.00 C ATOM 432 CG LEU A 32 -5.345 3.893 3.020 1.00 0.00 C ATOM 433 CD1 LEU A 32 -4.547 2.608 2.869 1.00 0.00 C ATOM 434 CD2 LEU A 32 -4.641 4.852 3.970 1.00 0.00 C ATOM 0 H LEU A 32 -7.772 3.662 2.342 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.752 6.310 2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.546 3.775 0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.724 5.216 1.458 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.318 3.644 3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.401 2.153 3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.090 1.916 2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.577 2.832 2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.493 4.366 4.934 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.674 5.133 3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.251 5.745 4.104 1.00 0.00 H new ATOM 446 N GLU A 33 -7.780 4.667 -0.637 1.00 0.00 N ATOM 447 CA GLU A 33 -8.100 4.801 -2.053 1.00 0.00 C ATOM 448 C GLU A 33 -8.691 6.176 -2.350 1.00 0.00 C ATOM 449 O GLU A 33 -8.285 6.846 -3.299 1.00 0.00 O ATOM 450 CB GLU A 33 -9.081 3.708 -2.483 1.00 0.00 C ATOM 451 CG GLU A 33 -8.583 2.300 -2.206 1.00 0.00 C ATOM 452 CD GLU A 33 -9.273 1.258 -3.066 1.00 0.00 C ATOM 453 OE1 GLU A 33 -10.514 1.148 -2.985 1.00 0.00 O ATOM 454 OE2 GLU A 33 -8.570 0.552 -3.819 1.00 0.00 O ATOM 0 H GLU A 33 -8.097 3.795 -0.213 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.175 4.692 -2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.028 3.858 -1.965 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.281 3.810 -3.550 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.508 2.257 -2.382 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.743 2.062 -1.154 1.00 0.00 H new ATOM 461 N ASN A 34 -9.652 6.590 -1.531 1.00 0.00 N ATOM 462 CA ASN A 34 -10.301 7.884 -1.705 1.00 0.00 C ATOM 463 C ASN A 34 -9.333 9.023 -1.399 1.00 0.00 C ATOM 464 O ASN A 34 -9.188 9.957 -2.187 1.00 0.00 O ATOM 465 CB ASN A 34 -11.530 7.988 -0.801 1.00 0.00 C ATOM 466 CG ASN A 34 -12.781 7.441 -1.461 1.00 0.00 C ATOM 467 OD1 ASN A 34 -13.233 7.957 -2.483 1.00 0.00 O ATOM 468 ND2 ASN A 34 -13.347 6.391 -0.877 1.00 0.00 N ATOM 0 H ASN A 34 -9.999 6.048 -0.740 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.616 7.967 -2.745 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.344 7.444 0.125 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.692 9.032 -0.531 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.191 5.980 -1.275 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -12.937 5.996 -0.031 1.00 0.00 H new ATOM 475 N ARG A 35 -8.672 8.938 -0.249 1.00 0.00 N ATOM 476 CA ARG A 35 -7.718 9.961 0.162 1.00 0.00 C ATOM 477 C ARG A 35 -6.647 10.166 -0.905 1.00 0.00 C ATOM 478 O ARG A 35 -6.552 11.237 -1.505 1.00 0.00 O ATOM 479 CB ARG A 35 -7.064 9.574 1.490 1.00 0.00 C ATOM 480 CG ARG A 35 -7.960 9.793 2.698 1.00 0.00 C ATOM 481 CD ARG A 35 -7.817 11.204 3.248 1.00 0.00 C ATOM 482 NE ARG A 35 -8.963 11.590 4.067 1.00 0.00 N ATOM 483 CZ ARG A 35 -9.194 12.835 4.467 1.00 0.00 C ATOM 484 NH1 ARG A 35 -8.363 13.810 4.126 1.00 0.00 N ATOM 485 NH2 ARG A 35 -10.259 13.108 5.211 1.00 0.00 N ATOM 0 H ARG A 35 -8.780 8.171 0.415 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.260 10.898 0.291 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.773 8.524 1.450 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.149 10.153 1.617 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.998 9.613 2.420 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.708 9.071 3.475 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.907 11.270 3.844 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.709 11.906 2.421 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.622 10.864 4.347 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.543 13.605 3.555 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.543 14.765 4.435 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.901 12.361 5.476 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.435 14.065 5.518 1.00 0.00 H new ATOM 499 N ILE A 36 -5.843 9.133 -1.135 1.00 0.00 N ATOM 500 CA ILE A 36 -4.780 9.200 -2.129 1.00 0.00 C ATOM 501 C ILE A 36 -5.196 10.053 -3.323 1.00 0.00 C ATOM 502 O ILE A 36 -4.567 11.067 -3.624 1.00 0.00 O ATOM 503 CB ILE A 36 -4.386 7.797 -2.628 1.00 0.00 C ATOM 504 CG1 ILE A 36 -3.794 6.973 -1.483 1.00 0.00 C ATOM 505 CG2 ILE A 36 -3.397 7.902 -3.779 1.00 0.00 C ATOM 506 CD1 ILE A 36 -3.554 5.523 -1.842 1.00 0.00 C ATOM 0 H ILE A 36 -5.908 8.240 -0.646 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.920 9.658 -1.640 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.281 7.291 -2.990 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.851 7.423 -1.173 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.467 7.020 -0.627 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.128 6.902 -4.120 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.852 8.456 -4.600 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.501 8.423 -3.442 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.134 5.000 -0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.498 5.057 -2.124 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.857 5.466 -2.678 1.00 0.00 H new ATOM 518 N ALA A 37 -6.262 9.635 -3.998 1.00 0.00 N ATOM 519 CA ALA A 37 -6.765 10.363 -5.157 1.00 0.00 C ATOM 520 C ALA A 37 -6.870 11.856 -4.864 1.00 0.00 C ATOM 521 O ALA A 37 -6.445 12.685 -5.667 1.00 0.00 O ATOM 522 CB ALA A 37 -8.118 9.810 -5.581 1.00 0.00 C ATOM 0 H ALA A 37 -6.794 8.797 -3.763 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.057 10.229 -5.975 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.482 10.363 -6.447 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.015 8.756 -5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.827 9.915 -4.760 1.00 0.00 H new ATOM 528 N GLU A 38 -7.440 12.189 -3.711 1.00 0.00 N ATOM 529 CA GLU A 38 -7.602 13.583 -3.314 1.00 0.00 C ATOM 530 C GLU A 38 -6.252 14.294 -3.260 1.00 0.00 C ATOM 531 O GLU A 38 -6.173 15.513 -3.415 1.00 0.00 O ATOM 532 CB GLU A 38 -8.292 13.673 -1.952 1.00 0.00 C ATOM 533 CG GLU A 38 -9.709 13.123 -1.950 1.00 0.00 C ATOM 534 CD GLU A 38 -10.239 12.879 -0.551 1.00 0.00 C ATOM 535 OE1 GLU A 38 -9.858 13.636 0.367 1.00 0.00 O ATOM 536 OE2 GLU A 38 -11.033 11.933 -0.373 1.00 0.00 O ATOM 0 H GLU A 38 -7.797 11.513 -3.035 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.224 14.076 -4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.699 13.129 -1.217 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.315 14.715 -1.634 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.367 13.822 -2.467 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.733 12.189 -2.511 1.00 0.00 H new ATOM 543 N PHE A 39 -5.193 13.522 -3.039 1.00 0.00 N ATOM 544 CA PHE A 39 -3.846 14.077 -2.962 1.00 0.00 C ATOM 545 C PHE A 39 -3.148 13.999 -4.317 1.00 0.00 C ATOM 546 O PHE A 39 -1.921 14.001 -4.396 1.00 0.00 O ATOM 547 CB PHE A 39 -3.024 13.331 -1.909 1.00 0.00 C ATOM 548 CG PHE A 39 -3.172 13.893 -0.524 1.00 0.00 C ATOM 549 CD1 PHE A 39 -4.300 13.618 0.232 1.00 0.00 C ATOM 550 CD2 PHE A 39 -2.184 14.698 0.020 1.00 0.00 C ATOM 551 CE1 PHE A 39 -4.439 14.134 1.507 1.00 0.00 C ATOM 552 CE2 PHE A 39 -2.318 15.216 1.295 1.00 0.00 C ATOM 553 CZ PHE A 39 -3.448 14.934 2.039 1.00 0.00 C ATOM 0 H PHE A 39 -5.241 12.511 -2.910 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.927 15.125 -2.674 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.324 12.283 -1.901 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.972 13.360 -2.194 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.079 12.994 -0.179 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.300 14.923 -0.558 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.323 13.911 2.087 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.540 15.840 1.709 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.555 15.339 3.035 1.00 0.00 H new ATOM 563 N GLY A 40 -3.942 13.930 -5.382 1.00 0.00 N ATOM 564 CA GLY A 40 -3.383 13.852 -6.719 1.00 0.00 C ATOM 565 C GLY A 40 -2.716 12.519 -6.992 1.00 0.00 C ATOM 566 O GLY A 40 -1.611 12.468 -7.531 1.00 0.00 O ATOM 0 H GLY A 40 -4.961 13.927 -5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.175 14.015 -7.450 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.656 14.653 -6.853 1.00 0.00 H new ATOM 570 N GLY A 41 -3.389 11.435 -6.618 1.00 0.00 N ATOM 571 CA GLY A 41 -2.838 10.109 -6.832 1.00 0.00 C ATOM 572 C GLY A 41 -3.761 9.222 -7.643 1.00 0.00 C ATOM 573 O GLY A 41 -4.964 9.472 -7.721 1.00 0.00 O ATOM 0 H GLY A 41 -4.306 11.451 -6.171 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.880 10.195 -7.344 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.643 9.640 -5.868 1.00 0.00 H new ATOM 577 N TYR A 42 -3.197 8.184 -8.251 1.00 0.00 N ATOM 578 CA TYR A 42 -3.977 7.258 -9.064 1.00 0.00 C ATOM 579 C TYR A 42 -4.211 5.945 -8.323 1.00 0.00 C ATOM 580 O TYR A 42 -3.300 5.402 -7.698 1.00 0.00 O ATOM 581 CB TYR A 42 -3.265 6.988 -10.391 1.00 0.00 C ATOM 582 CG TYR A 42 -4.205 6.639 -11.522 1.00 0.00 C ATOM 583 CD1 TYR A 42 -4.838 7.633 -12.258 1.00 0.00 C ATOM 584 CD2 TYR A 42 -4.461 5.314 -11.855 1.00 0.00 C ATOM 585 CE1 TYR A 42 -5.698 7.319 -13.292 1.00 0.00 C ATOM 586 CE2 TYR A 42 -5.319 4.991 -12.889 1.00 0.00 C ATOM 587 CZ TYR A 42 -5.935 5.996 -13.604 1.00 0.00 C ATOM 588 OH TYR A 42 -6.791 5.678 -14.633 1.00 0.00 O ATOM 0 H TYR A 42 -2.203 7.963 -8.196 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.945 7.718 -9.265 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.687 7.869 -10.669 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.556 6.171 -10.254 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -4.654 8.670 -12.017 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.981 4.524 -11.296 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.182 8.104 -13.853 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -5.506 3.956 -13.136 1.00 0.00 H new ATOM 0 HH TYR A 42 -6.847 4.704 -14.723 1.00 0.00 H new ATOM 598 N ILE A 43 -5.438 5.442 -8.399 1.00 0.00 N ATOM 599 CA ILE A 43 -5.793 4.192 -7.737 1.00 0.00 C ATOM 600 C ILE A 43 -6.201 3.130 -8.752 1.00 0.00 C ATOM 601 O ILE A 43 -7.131 3.327 -9.533 1.00 0.00 O ATOM 602 CB ILE A 43 -6.941 4.394 -6.731 1.00 0.00 C ATOM 603 CG1 ILE A 43 -6.539 5.412 -5.662 1.00 0.00 C ATOM 604 CG2 ILE A 43 -7.323 3.068 -6.090 1.00 0.00 C ATOM 605 CD1 ILE A 43 -5.325 4.999 -4.861 1.00 0.00 C ATOM 0 H ILE A 43 -6.203 5.880 -8.912 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.906 3.856 -7.200 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.809 4.780 -7.266 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.339 6.370 -6.141 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.378 5.564 -4.983 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.136 3.227 -5.381 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.647 2.370 -6.862 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.461 2.655 -5.566 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.098 5.768 -4.122 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.528 4.056 -4.353 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.473 4.875 -5.529 1.00 0.00 H new ATOM 617 N VAL A 44 -5.500 2.001 -8.733 1.00 0.00 N ATOM 618 CA VAL A 44 -5.791 0.904 -9.649 1.00 0.00 C ATOM 619 C VAL A 44 -6.310 -0.317 -8.898 1.00 0.00 C ATOM 620 O VAL A 44 -6.524 -0.267 -7.687 1.00 0.00 O ATOM 621 CB VAL A 44 -4.544 0.503 -10.459 1.00 0.00 C ATOM 622 CG1 VAL A 44 -4.116 1.638 -11.377 1.00 0.00 C ATOM 623 CG2 VAL A 44 -3.409 0.105 -9.526 1.00 0.00 C ATOM 0 H VAL A 44 -4.726 1.822 -8.093 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.561 1.260 -10.334 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.795 -0.358 -11.078 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.234 1.336 -11.941 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.926 1.872 -12.068 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.881 2.520 -10.781 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.536 -0.175 -10.115 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.157 0.946 -8.880 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.721 -0.741 -8.914 1.00 0.00 H new ATOM 633 N GLN A 45 -6.509 -1.411 -9.625 1.00 0.00 N ATOM 634 CA GLN A 45 -7.003 -2.646 -9.026 1.00 0.00 C ATOM 635 C GLN A 45 -5.887 -3.678 -8.907 1.00 0.00 C ATOM 636 O GLN A 45 -5.694 -4.279 -7.851 1.00 0.00 O ATOM 637 CB GLN A 45 -8.154 -3.215 -9.857 1.00 0.00 C ATOM 638 CG GLN A 45 -9.514 -2.649 -9.482 1.00 0.00 C ATOM 639 CD GLN A 45 -9.634 -1.169 -9.788 1.00 0.00 C ATOM 640 OE1 GLN A 45 -9.877 -0.777 -10.930 1.00 0.00 O ATOM 641 NE2 GLN A 45 -9.465 -0.337 -8.767 1.00 0.00 N ATOM 0 H GLN A 45 -6.336 -1.468 -10.629 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.367 -2.415 -8.025 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.964 -3.013 -10.911 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.176 -4.298 -9.739 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.290 -3.192 -10.021 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.691 -2.812 -8.419 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.265 -0.705 -7.837 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.535 0.670 -8.913 1.00 0.00 H new ATOM 650 N ASN A 46 -5.154 -3.878 -9.998 1.00 0.00 N ATOM 651 CA ASN A 46 -4.057 -4.839 -10.016 1.00 0.00 C ATOM 652 C ASN A 46 -2.733 -4.147 -10.321 1.00 0.00 C ATOM 653 O ASN A 46 -2.639 -3.292 -11.203 1.00 0.00 O ATOM 654 CB ASN A 46 -4.325 -5.931 -11.053 1.00 0.00 C ATOM 655 CG ASN A 46 -3.451 -7.153 -10.846 1.00 0.00 C ATOM 656 OD1 ASN A 46 -2.254 -7.129 -11.131 1.00 0.00 O ATOM 657 ND2 ASN A 46 -4.048 -8.229 -10.347 1.00 0.00 N ATOM 0 H ASN A 46 -5.300 -3.388 -10.880 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.990 -5.294 -9.028 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.373 -6.225 -11.004 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.153 -5.530 -12.052 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.511 -9.081 -10.185 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.043 -8.203 -10.125 1.00 0.00 H new ATOM 664 N PRO A 47 -1.683 -4.523 -9.576 1.00 0.00 N ATOM 665 CA PRO A 47 -0.344 -3.952 -9.748 1.00 0.00 C ATOM 666 C PRO A 47 0.306 -4.384 -11.058 1.00 0.00 C ATOM 667 O PRO A 47 0.225 -5.548 -11.448 1.00 0.00 O ATOM 668 CB PRO A 47 0.436 -4.508 -8.554 1.00 0.00 C ATOM 669 CG PRO A 47 -0.270 -5.770 -8.196 1.00 0.00 C ATOM 670 CD PRO A 47 -1.722 -5.535 -8.507 1.00 0.00 C ATOM 0 HA PRO A 47 -0.367 -2.863 -9.788 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.477 -4.697 -8.815 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.438 -3.805 -7.721 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.120 -6.611 -8.768 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.131 -6.010 -7.142 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.215 -6.449 -8.837 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.267 -5.176 -7.634 1.00 0.00 H new ATOM 678 N GLY A 48 0.953 -3.439 -11.733 1.00 0.00 N ATOM 679 CA GLY A 48 1.608 -3.743 -12.992 1.00 0.00 C ATOM 680 C GLY A 48 2.943 -3.039 -13.135 1.00 0.00 C ATOM 681 O GLY A 48 3.568 -2.641 -12.152 1.00 0.00 O ATOM 0 H GLY A 48 1.035 -2.468 -11.431 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.758 -4.820 -13.069 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.957 -3.452 -13.816 1.00 0.00 H new ATOM 685 N PRO A 49 3.400 -2.877 -14.386 1.00 0.00 N ATOM 686 CA PRO A 49 4.674 -2.217 -14.684 1.00 0.00 C ATOM 687 C PRO A 49 4.631 -0.719 -14.402 1.00 0.00 C ATOM 688 O PRO A 49 5.669 -0.084 -14.212 1.00 0.00 O ATOM 689 CB PRO A 49 4.865 -2.474 -16.181 1.00 0.00 C ATOM 690 CG PRO A 49 3.486 -2.669 -16.711 1.00 0.00 C ATOM 691 CD PRO A 49 2.707 -3.326 -15.606 1.00 0.00 C ATOM 0 HA PRO A 49 5.486 -2.599 -14.065 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.361 -1.634 -16.667 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.484 -3.354 -16.356 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.037 -1.716 -16.992 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.496 -3.292 -17.605 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.662 -3.016 -15.612 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.718 -4.412 -15.698 1.00 0.00 H new ATOM 699 N ASP A 50 3.426 -0.162 -14.376 1.00 0.00 N ATOM 700 CA ASP A 50 3.248 1.262 -14.116 1.00 0.00 C ATOM 701 C ASP A 50 2.618 1.489 -12.745 1.00 0.00 C ATOM 702 O ASP A 50 1.705 2.301 -12.596 1.00 0.00 O ATOM 703 CB ASP A 50 2.378 1.897 -15.202 1.00 0.00 C ATOM 704 CG ASP A 50 2.647 3.380 -15.366 1.00 0.00 C ATOM 705 OD1 ASP A 50 2.125 4.170 -14.552 1.00 0.00 O ATOM 706 OD2 ASP A 50 3.378 3.750 -16.308 1.00 0.00 O ATOM 0 H ASP A 50 2.558 -0.674 -14.532 1.00 0.00 H new ATOM 0 HA ASP A 50 4.231 1.733 -14.128 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.559 1.391 -16.150 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.327 1.746 -14.956 1.00 0.00 H new ATOM 711 N THR A 51 3.111 0.765 -11.745 1.00 0.00 N ATOM 712 CA THR A 51 2.595 0.885 -10.387 1.00 0.00 C ATOM 713 C THR A 51 3.714 1.196 -9.400 1.00 0.00 C ATOM 714 O THR A 51 4.745 0.523 -9.383 1.00 0.00 O ATOM 715 CB THR A 51 1.877 -0.403 -9.943 1.00 0.00 C ATOM 716 OG1 THR A 51 0.813 -0.709 -10.852 1.00 0.00 O ATOM 717 CG2 THR A 51 1.321 -0.255 -8.535 1.00 0.00 C ATOM 0 H THR A 51 3.867 0.089 -11.850 1.00 0.00 H new ATOM 0 HA THR A 51 1.879 1.707 -10.392 1.00 0.00 H new ATOM 0 HB THR A 51 2.602 -1.217 -9.946 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.038 -0.722 -10.367 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.818 -1.177 -8.243 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.137 -0.051 -7.841 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.609 0.570 -8.510 1.00 0.00 H new ATOM 725 N TYR A 52 3.504 2.217 -8.577 1.00 0.00 N ATOM 726 CA TYR A 52 4.496 2.618 -7.586 1.00 0.00 C ATOM 727 C TYR A 52 4.729 1.506 -6.568 1.00 0.00 C ATOM 728 O TYR A 52 5.845 1.005 -6.424 1.00 0.00 O ATOM 729 CB TYR A 52 4.047 3.893 -6.871 1.00 0.00 C ATOM 730 CG TYR A 52 5.177 4.642 -6.202 1.00 0.00 C ATOM 731 CD1 TYR A 52 6.155 5.281 -6.954 1.00 0.00 C ATOM 732 CD2 TYR A 52 5.267 4.710 -4.817 1.00 0.00 C ATOM 733 CE1 TYR A 52 7.190 5.966 -6.347 1.00 0.00 C ATOM 734 CE2 TYR A 52 6.298 5.394 -4.201 1.00 0.00 C ATOM 735 CZ TYR A 52 7.257 6.019 -4.970 1.00 0.00 C ATOM 736 OH TYR A 52 8.285 6.701 -4.361 1.00 0.00 O ATOM 0 H TYR A 52 2.655 2.783 -8.576 1.00 0.00 H new ATOM 0 HA TYR A 52 5.434 2.812 -8.106 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.562 4.552 -7.591 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.299 3.635 -6.121 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.105 5.242 -8.032 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.519 4.220 -4.212 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.942 6.457 -6.947 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.352 5.439 -3.123 1.00 0.00 H new ATOM 0 HH TYR A 52 8.185 6.643 -3.388 1.00 0.00 H new ATOM 746 N CYS A 53 3.668 1.124 -5.866 1.00 0.00 N ATOM 747 CA CYS A 53 3.756 0.071 -4.860 1.00 0.00 C ATOM 748 C CYS A 53 2.367 -0.362 -4.404 1.00 0.00 C ATOM 749 O CYS A 53 1.359 0.212 -4.817 1.00 0.00 O ATOM 750 CB CYS A 53 4.574 0.550 -3.660 1.00 0.00 C ATOM 751 SG CYS A 53 3.874 1.988 -2.817 1.00 0.00 S ATOM 0 H CYS A 53 2.737 1.527 -5.975 1.00 0.00 H new ATOM 0 HA CYS A 53 4.255 -0.787 -5.311 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.665 -0.268 -2.946 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.582 0.794 -3.995 1.00 0.00 H new ATOM 0 HG CYS A 53 4.635 2.317 -1.816 1.00 0.00 H new ATOM 757 N VAL A 54 2.320 -1.380 -3.551 1.00 0.00 N ATOM 758 CA VAL A 54 1.054 -1.892 -3.039 1.00 0.00 C ATOM 759 C VAL A 54 0.881 -1.552 -1.563 1.00 0.00 C ATOM 760 O VAL A 54 1.860 -1.400 -0.832 1.00 0.00 O ATOM 761 CB VAL A 54 0.952 -3.418 -3.218 1.00 0.00 C ATOM 762 CG1 VAL A 54 -0.334 -3.943 -2.597 1.00 0.00 C ATOM 763 CG2 VAL A 54 1.031 -3.787 -4.692 1.00 0.00 C ATOM 0 H VAL A 54 3.144 -1.867 -3.200 1.00 0.00 H new ATOM 0 HA VAL A 54 0.262 -1.413 -3.615 1.00 0.00 H new ATOM 0 HB VAL A 54 1.793 -3.884 -2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.389 -5.023 -2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.345 -3.710 -1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.190 -3.472 -3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.957 -4.869 -4.801 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.211 -3.312 -5.231 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.981 -3.445 -5.102 1.00 0.00 H new ATOM 773 N ILE A 55 -0.370 -1.433 -1.132 1.00 0.00 N ATOM 774 CA ILE A 55 -0.672 -1.113 0.258 1.00 0.00 C ATOM 775 C ILE A 55 -1.518 -2.205 0.903 1.00 0.00 C ATOM 776 O ILE A 55 -2.696 -2.362 0.583 1.00 0.00 O ATOM 777 CB ILE A 55 -1.412 0.232 0.378 1.00 0.00 C ATOM 778 CG1 ILE A 55 -0.598 1.348 -0.282 1.00 0.00 C ATOM 779 CG2 ILE A 55 -1.683 0.560 1.838 1.00 0.00 C ATOM 780 CD1 ILE A 55 0.768 1.545 0.337 1.00 0.00 C ATOM 0 H ILE A 55 -1.191 -1.553 -1.725 1.00 0.00 H new ATOM 0 HA ILE A 55 0.283 -1.041 0.779 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.368 0.150 -0.139 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.479 1.122 -1.342 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.156 2.282 -0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.207 1.514 1.906 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.299 -0.224 2.279 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.738 0.626 2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.289 2.351 -0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.656 1.802 1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.344 0.624 0.247 1.00 0.00 H new ATOM 792 N ALA A 56 -0.909 -2.957 1.814 1.00 0.00 N ATOM 793 CA ALA A 56 -1.607 -4.033 2.507 1.00 0.00 C ATOM 794 C ALA A 56 -1.244 -4.058 3.988 1.00 0.00 C ATOM 795 O ALA A 56 -0.074 -4.176 4.349 1.00 0.00 O ATOM 796 CB ALA A 56 -1.288 -5.372 1.861 1.00 0.00 C ATOM 0 H ALA A 56 0.066 -2.841 2.089 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.678 -3.849 2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.816 -6.166 2.389 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.604 -5.357 0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.215 -5.554 1.912 1.00 0.00 H new ATOM 802 N GLY A 57 -2.256 -3.944 4.843 1.00 0.00 N ATOM 803 CA GLY A 57 -2.022 -3.955 6.275 1.00 0.00 C ATOM 804 C GLY A 57 -1.736 -5.346 6.805 1.00 0.00 C ATOM 805 O GLY A 57 -1.139 -5.501 7.870 1.00 0.00 O ATOM 0 H GLY A 57 -3.234 -3.844 4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.182 -3.301 6.508 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.894 -3.547 6.786 1.00 0.00 H new ATOM 809 N SER A 58 -2.164 -6.361 6.061 1.00 0.00 N ATOM 810 CA SER A 58 -1.955 -7.746 6.465 1.00 0.00 C ATOM 811 C SER A 58 -1.791 -8.649 5.246 1.00 0.00 C ATOM 812 O SER A 58 -1.782 -8.178 4.110 1.00 0.00 O ATOM 813 CB SER A 58 -3.127 -8.233 7.320 1.00 0.00 C ATOM 814 OG SER A 58 -2.762 -9.367 8.087 1.00 0.00 O ATOM 0 H SER A 58 -2.658 -6.250 5.175 1.00 0.00 H new ATOM 0 HA SER A 58 -1.040 -7.792 7.055 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.455 -7.432 7.983 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.972 -8.481 6.677 1.00 0.00 H new ATOM 0 HG SER A 58 -3.527 -9.658 8.626 1.00 0.00 H new ATOM 820 N GLU A 59 -1.662 -9.949 5.493 1.00 0.00 N ATOM 821 CA GLU A 59 -1.497 -10.917 4.416 1.00 0.00 C ATOM 822 C GLU A 59 -2.845 -11.495 3.993 1.00 0.00 C ATOM 823 O GLU A 59 -3.586 -12.034 4.814 1.00 0.00 O ATOM 824 CB GLU A 59 -0.561 -12.046 4.853 1.00 0.00 C ATOM 825 CG GLU A 59 0.907 -11.652 4.857 1.00 0.00 C ATOM 826 CD GLU A 59 1.814 -12.784 5.298 1.00 0.00 C ATOM 827 OE1 GLU A 59 1.979 -12.969 6.522 1.00 0.00 O ATOM 828 OE2 GLU A 59 2.358 -13.486 4.420 1.00 0.00 O ATOM 0 H GLU A 59 -1.669 -10.355 6.429 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.058 -10.401 3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.843 -12.374 5.853 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.698 -12.898 4.188 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.195 -11.329 3.857 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.048 -10.799 5.520 1.00 0.00 H new ATOM 835 N ASN A 60 -3.155 -11.377 2.706 1.00 0.00 N ATOM 836 CA ASN A 60 -4.414 -11.886 2.174 1.00 0.00 C ATOM 837 C ASN A 60 -4.177 -12.710 0.912 1.00 0.00 C ATOM 838 O ASN A 60 -3.042 -12.850 0.454 1.00 0.00 O ATOM 839 CB ASN A 60 -5.368 -10.729 1.869 1.00 0.00 C ATOM 840 CG ASN A 60 -5.330 -9.652 2.936 1.00 0.00 C ATOM 841 OD1 ASN A 60 -4.638 -8.645 2.792 1.00 0.00 O ATOM 842 ND2 ASN A 60 -6.076 -9.862 4.015 1.00 0.00 N ATOM 0 H ASN A 60 -2.552 -10.934 2.013 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.865 -12.530 2.929 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.108 -10.291 0.905 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.384 -11.113 1.780 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.090 -9.173 4.767 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.634 -10.712 4.091 1.00 0.00 H new ATOM 849 N ILE A 61 -5.255 -13.253 0.355 1.00 0.00 N ATOM 850 CA ILE A 61 -5.164 -14.061 -0.855 1.00 0.00 C ATOM 851 C ILE A 61 -4.474 -13.294 -1.978 1.00 0.00 C ATOM 852 O ILE A 61 -3.378 -13.656 -2.408 1.00 0.00 O ATOM 853 CB ILE A 61 -6.556 -14.512 -1.336 1.00 0.00 C ATOM 854 CG1 ILE A 61 -7.074 -15.657 -0.464 1.00 0.00 C ATOM 855 CG2 ILE A 61 -6.500 -14.934 -2.796 1.00 0.00 C ATOM 856 CD1 ILE A 61 -6.583 -17.020 -0.901 1.00 0.00 C ATOM 0 H ILE A 61 -6.201 -13.148 0.722 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.572 -14.941 -0.603 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.245 -13.672 -1.247 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.769 -15.484 0.568 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.164 -15.650 -0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.491 -15.250 -3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.169 -14.093 -3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.800 -15.762 -2.909 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.990 -17.783 -0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.911 -17.215 -1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.494 -17.045 -0.858 1.00 0.00 H new ATOM 868 N ARG A 62 -5.122 -12.233 -2.447 1.00 0.00 N ATOM 869 CA ARG A 62 -4.570 -11.414 -3.520 1.00 0.00 C ATOM 870 C ARG A 62 -3.150 -10.965 -3.187 1.00 0.00 C ATOM 871 O ARG A 62 -2.209 -11.243 -3.929 1.00 0.00 O ATOM 872 CB ARG A 62 -5.458 -10.194 -3.767 1.00 0.00 C ATOM 873 CG ARG A 62 -6.944 -10.482 -3.626 1.00 0.00 C ATOM 874 CD ARG A 62 -7.773 -9.593 -4.538 1.00 0.00 C ATOM 875 NE ARG A 62 -9.101 -9.331 -3.989 1.00 0.00 N ATOM 876 CZ ARG A 62 -9.867 -8.315 -4.370 1.00 0.00 C ATOM 877 NH1 ARG A 62 -9.439 -7.470 -5.298 1.00 0.00 N ATOM 878 NH2 ARG A 62 -11.063 -8.142 -3.823 1.00 0.00 N ATOM 0 H ARG A 62 -6.029 -11.920 -2.101 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.537 -12.020 -4.425 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.181 -9.406 -3.066 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.264 -9.811 -4.769 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.137 -11.528 -3.863 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.249 -10.328 -2.591 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.252 -8.648 -4.694 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.872 -10.067 -5.514 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.460 -9.963 -3.274 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.520 -7.600 -5.721 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.029 -6.690 -5.589 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.396 -8.790 -3.109 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.650 -7.361 -4.117 1.00 0.00 H new ATOM 892 N VAL A 63 -3.004 -10.268 -2.064 1.00 0.00 N ATOM 893 CA VAL A 63 -1.700 -9.781 -1.631 1.00 0.00 C ATOM 894 C VAL A 63 -0.626 -10.847 -1.815 1.00 0.00 C ATOM 895 O VAL A 63 0.434 -10.585 -2.383 1.00 0.00 O ATOM 896 CB VAL A 63 -1.726 -9.343 -0.155 1.00 0.00 C ATOM 897 CG1 VAL A 63 -0.380 -8.765 0.255 1.00 0.00 C ATOM 898 CG2 VAL A 63 -2.842 -8.337 0.082 1.00 0.00 C ATOM 0 H VAL A 63 -3.773 -10.028 -1.438 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.462 -8.919 -2.254 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.921 -10.220 0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.418 -8.461 1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.395 -9.520 0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.151 -7.899 -0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.846 -8.038 1.130 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.680 -7.460 -0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.801 -8.791 -0.169 1.00 0.00 H new ATOM 908 N LYS A 64 -0.908 -12.052 -1.331 1.00 0.00 N ATOM 909 CA LYS A 64 0.032 -13.161 -1.442 1.00 0.00 C ATOM 910 C LYS A 64 0.570 -13.277 -2.865 1.00 0.00 C ATOM 911 O LYS A 64 1.769 -13.130 -3.099 1.00 0.00 O ATOM 912 CB LYS A 64 -0.642 -14.472 -1.031 1.00 0.00 C ATOM 913 CG LYS A 64 0.320 -15.496 -0.454 1.00 0.00 C ATOM 914 CD LYS A 64 -0.289 -16.888 -0.444 1.00 0.00 C ATOM 915 CE LYS A 64 0.445 -17.810 0.518 1.00 0.00 C ATOM 916 NZ LYS A 64 1.667 -18.397 -0.100 1.00 0.00 N ATOM 0 H LYS A 64 -1.781 -12.285 -0.858 1.00 0.00 H new ATOM 0 HA LYS A 64 0.868 -12.965 -0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.416 -14.257 -0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.140 -14.903 -1.900 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.239 -15.504 -1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.592 -15.209 0.562 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.339 -16.825 -0.159 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.256 -17.308 -1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.722 -17.254 1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.223 -18.611 0.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.898 -19.294 0.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.495 -18.572 -1.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.462 -17.735 0.007 1.00 0.00 H new ATOM 930 N ASN A 65 -0.325 -13.541 -3.811 1.00 0.00 N ATOM 931 CA ASN A 65 0.060 -13.676 -5.211 1.00 0.00 C ATOM 932 C ASN A 65 1.148 -12.671 -5.576 1.00 0.00 C ATOM 933 O ASN A 65 2.168 -13.031 -6.163 1.00 0.00 O ATOM 934 CB ASN A 65 -1.157 -13.479 -6.118 1.00 0.00 C ATOM 935 CG ASN A 65 -1.963 -14.752 -6.288 1.00 0.00 C ATOM 936 OD1 ASN A 65 -1.411 -15.819 -6.557 1.00 0.00 O ATOM 937 ND2 ASN A 65 -3.278 -14.645 -6.131 1.00 0.00 N ATOM 0 H ASN A 65 -1.322 -13.666 -3.634 1.00 0.00 H new ATOM 0 HA ASN A 65 0.455 -14.681 -5.357 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.796 -12.701 -5.700 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.825 -13.129 -7.096 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.872 -15.468 -6.233 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.693 -13.740 -5.908 1.00 0.00 H new ATOM 944 N ILE A 66 0.922 -11.410 -5.223 1.00 0.00 N ATOM 945 CA ILE A 66 1.884 -10.353 -5.511 1.00 0.00 C ATOM 946 C ILE A 66 3.221 -10.625 -4.830 1.00 0.00 C ATOM 947 O ILE A 66 4.282 -10.344 -5.389 1.00 0.00 O ATOM 948 CB ILE A 66 1.361 -8.977 -5.057 1.00 0.00 C ATOM 949 CG1 ILE A 66 0.218 -8.517 -5.965 1.00 0.00 C ATOM 950 CG2 ILE A 66 2.488 -7.955 -5.058 1.00 0.00 C ATOM 951 CD1 ILE A 66 -1.089 -9.231 -5.699 1.00 0.00 C ATOM 0 H ILE A 66 0.082 -11.095 -4.738 1.00 0.00 H new ATOM 0 HA ILE A 66 2.025 -10.341 -6.592 1.00 0.00 H new ATOM 0 HB ILE A 66 0.979 -9.067 -4.040 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.070 -7.445 -5.835 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.504 -8.675 -7.005 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.103 -6.988 -4.735 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.274 -8.279 -4.375 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.897 -7.865 -6.065 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.854 -8.855 -6.378 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.958 -10.301 -5.857 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.398 -9.052 -4.669 1.00 0.00 H new ATOM 963 N ILE A 67 3.163 -11.177 -3.623 1.00 0.00 N ATOM 964 CA ILE A 67 4.369 -11.490 -2.868 1.00 0.00 C ATOM 965 C ILE A 67 5.158 -12.613 -3.533 1.00 0.00 C ATOM 966 O ILE A 67 6.372 -12.512 -3.712 1.00 0.00 O ATOM 967 CB ILE A 67 4.037 -11.899 -1.420 1.00 0.00 C ATOM 968 CG1 ILE A 67 3.508 -10.696 -0.636 1.00 0.00 C ATOM 969 CG2 ILE A 67 5.266 -12.482 -0.739 1.00 0.00 C ATOM 970 CD1 ILE A 67 3.079 -11.035 0.774 1.00 0.00 C ATOM 0 H ILE A 67 2.293 -11.417 -3.147 1.00 0.00 H new ATOM 0 HA ILE A 67 4.975 -10.584 -2.851 1.00 0.00 H new ATOM 0 HB ILE A 67 3.261 -12.664 -1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.282 -9.929 -0.597 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.661 -10.267 -1.172 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.015 -12.766 0.283 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.603 -13.361 -1.288 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.061 -11.737 -0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.715 -10.135 1.270 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.283 -11.779 0.743 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.929 -11.436 1.327 1.00 0.00 H new ATOM 982 N LEU A 68 4.459 -13.683 -3.898 1.00 0.00 N ATOM 983 CA LEU A 68 5.093 -14.826 -4.546 1.00 0.00 C ATOM 984 C LEU A 68 5.927 -14.380 -5.743 1.00 0.00 C ATOM 985 O LEU A 68 7.072 -14.800 -5.906 1.00 0.00 O ATOM 986 CB LEU A 68 4.035 -15.835 -4.994 1.00 0.00 C ATOM 987 CG LEU A 68 3.027 -16.268 -3.929 1.00 0.00 C ATOM 988 CD1 LEU A 68 1.950 -17.150 -4.541 1.00 0.00 C ATOM 989 CD2 LEU A 68 3.732 -16.994 -2.792 1.00 0.00 C ATOM 0 H LEU A 68 3.454 -13.783 -3.756 1.00 0.00 H new ATOM 0 HA LEU A 68 5.755 -15.301 -3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.486 -15.407 -5.833 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.544 -16.724 -5.366 1.00 0.00 H new ATOM 0 HG LEU A 68 2.550 -15.376 -3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.242 -17.449 -3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.425 -16.596 -5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.410 -18.038 -4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.000 -17.295 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.236 -17.878 -3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.466 -16.330 -2.336 1.00 0.00 H new ATOM 1001 N SER A 69 5.344 -13.524 -6.577 1.00 0.00 N ATOM 1002 CA SER A 69 6.032 -13.022 -7.761 1.00 0.00 C ATOM 1003 C SER A 69 7.329 -12.316 -7.376 1.00 0.00 C ATOM 1004 O SER A 69 8.273 -12.257 -8.163 1.00 0.00 O ATOM 1005 CB SER A 69 5.126 -12.062 -8.534 1.00 0.00 C ATOM 1006 OG SER A 69 4.311 -12.763 -9.457 1.00 0.00 O ATOM 0 H SER A 69 4.398 -13.164 -6.455 1.00 0.00 H new ATOM 0 HA SER A 69 6.276 -13.872 -8.398 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.498 -11.509 -7.836 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.735 -11.330 -9.064 1.00 0.00 H new ATOM 0 HG SER A 69 3.740 -12.128 -9.937 1.00 0.00 H new ATOM 1012 N ASN A 70 7.367 -11.781 -6.160 1.00 0.00 N ATOM 1013 CA ASN A 70 8.547 -11.078 -5.670 1.00 0.00 C ATOM 1014 C ASN A 70 9.010 -10.027 -6.674 1.00 0.00 C ATOM 1015 O ASN A 70 10.204 -9.889 -6.940 1.00 0.00 O ATOM 1016 CB ASN A 70 9.679 -12.070 -5.396 1.00 0.00 C ATOM 1017 CG ASN A 70 10.707 -11.520 -4.426 1.00 0.00 C ATOM 1018 OD1 ASN A 70 10.444 -10.558 -3.704 1.00 0.00 O ATOM 1019 ND2 ASN A 70 11.887 -12.130 -4.405 1.00 0.00 N ATOM 0 H ASN A 70 6.594 -11.821 -5.496 1.00 0.00 H new ATOM 0 HA ASN A 70 8.280 -10.575 -4.741 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.261 -12.993 -4.993 1.00 0.00 H new ATOM 0 HB3 ASN A 70 10.170 -12.326 -6.335 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.618 -11.804 -3.773 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.062 -12.924 -5.021 1.00 0.00 H new ATOM 1026 N LYS A 71 8.056 -9.286 -7.228 1.00 0.00 N ATOM 1027 CA LYS A 71 8.363 -8.245 -8.201 1.00 0.00 C ATOM 1028 C LYS A 71 8.086 -6.861 -7.623 1.00 0.00 C ATOM 1029 O LYS A 71 8.891 -5.941 -7.776 1.00 0.00 O ATOM 1030 CB LYS A 71 7.542 -8.450 -9.476 1.00 0.00 C ATOM 1031 CG LYS A 71 7.999 -9.634 -10.310 1.00 0.00 C ATOM 1032 CD LYS A 71 9.174 -9.268 -11.201 1.00 0.00 C ATOM 1033 CE LYS A 71 9.566 -10.424 -12.109 1.00 0.00 C ATOM 1034 NZ LYS A 71 10.560 -10.008 -13.137 1.00 0.00 N ATOM 0 H LYS A 71 7.063 -9.388 -7.019 1.00 0.00 H new ATOM 0 HA LYS A 71 9.423 -8.313 -8.445 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.495 -8.589 -9.206 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.597 -7.546 -10.083 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.282 -10.456 -9.652 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.172 -9.988 -10.925 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.916 -8.399 -11.807 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.026 -8.984 -10.583 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.981 -11.233 -11.508 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.677 -10.817 -12.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.802 -10.823 -13.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.155 -9.253 -13.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.419 -9.657 -12.667 1.00 0.00 H new ATOM 1048 N HIS A 72 6.945 -6.720 -6.957 1.00 0.00 N ATOM 1049 CA HIS A 72 6.563 -5.448 -6.354 1.00 0.00 C ATOM 1050 C HIS A 72 6.875 -5.440 -4.861 1.00 0.00 C ATOM 1051 O HIS A 72 7.385 -6.420 -4.318 1.00 0.00 O ATOM 1052 CB HIS A 72 5.074 -5.180 -6.577 1.00 0.00 C ATOM 1053 CG HIS A 72 4.703 -5.027 -8.020 1.00 0.00 C ATOM 1054 ND1 HIS A 72 5.074 -5.932 -8.993 1.00 0.00 N ATOM 1055 CD2 HIS A 72 3.988 -4.068 -8.654 1.00 0.00 C ATOM 1056 CE1 HIS A 72 4.605 -5.535 -10.162 1.00 0.00 C ATOM 1057 NE2 HIS A 72 3.942 -4.406 -9.984 1.00 0.00 N ATOM 0 H HIS A 72 6.268 -7.471 -6.821 1.00 0.00 H new ATOM 0 HA HIS A 72 7.142 -4.658 -6.833 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.497 -5.999 -6.147 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.792 -4.275 -6.040 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.538 -3.199 -8.198 1.00 0.00 H new ATOM 0 HE1 HIS A 72 4.740 -6.046 -11.104 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.472 -3.872 -10.716 1.00 0.00 H new ATOM 1065 N ASP A 73 6.566 -4.328 -4.203 1.00 0.00 N ATOM 1066 CA ASP A 73 6.814 -4.192 -2.772 1.00 0.00 C ATOM 1067 C ASP A 73 5.520 -3.887 -2.024 1.00 0.00 C ATOM 1068 O ASP A 73 4.685 -3.114 -2.495 1.00 0.00 O ATOM 1069 CB ASP A 73 7.840 -3.088 -2.513 1.00 0.00 C ATOM 1070 CG ASP A 73 7.574 -1.844 -3.338 1.00 0.00 C ATOM 1071 OD1 ASP A 73 6.393 -1.576 -3.641 1.00 0.00 O ATOM 1072 OD2 ASP A 73 8.547 -1.140 -3.681 1.00 0.00 O ATOM 0 H ASP A 73 6.143 -3.508 -4.638 1.00 0.00 H new ATOM 0 HA ASP A 73 7.211 -5.139 -2.405 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.829 -2.827 -1.455 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.838 -3.463 -2.739 1.00 0.00 H new ATOM 1077 N VAL A 74 5.359 -4.500 -0.855 1.00 0.00 N ATOM 1078 CA VAL A 74 4.167 -4.294 -0.041 1.00 0.00 C ATOM 1079 C VAL A 74 4.430 -3.288 1.073 1.00 0.00 C ATOM 1080 O VAL A 74 5.504 -3.278 1.676 1.00 0.00 O ATOM 1081 CB VAL A 74 3.677 -5.615 0.580 1.00 0.00 C ATOM 1082 CG1 VAL A 74 2.376 -5.399 1.338 1.00 0.00 C ATOM 1083 CG2 VAL A 74 3.507 -6.678 -0.495 1.00 0.00 C ATOM 0 H VAL A 74 6.039 -5.143 -0.451 1.00 0.00 H new ATOM 0 HA VAL A 74 3.394 -3.904 -0.704 1.00 0.00 H new ATOM 0 HB VAL A 74 4.428 -5.964 1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.045 -6.344 1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.535 -4.672 2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.614 -5.026 0.654 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.160 -7.605 -0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.776 -6.339 -1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.463 -6.852 -0.989 1.00 0.00 H new ATOM 1093 N VAL A 75 3.442 -2.441 1.343 1.00 0.00 N ATOM 1094 CA VAL A 75 3.565 -1.430 2.387 1.00 0.00 C ATOM 1095 C VAL A 75 2.294 -1.349 3.226 1.00 0.00 C ATOM 1096 O VAL A 75 1.195 -1.608 2.735 1.00 0.00 O ATOM 1097 CB VAL A 75 3.864 -0.041 1.792 1.00 0.00 C ATOM 1098 CG1 VAL A 75 4.413 0.891 2.860 1.00 0.00 C ATOM 1099 CG2 VAL A 75 4.834 -0.160 0.626 1.00 0.00 C ATOM 0 H VAL A 75 2.547 -2.435 0.853 1.00 0.00 H new ATOM 0 HA VAL A 75 4.398 -1.731 3.022 1.00 0.00 H new ATOM 0 HB VAL A 75 2.932 0.384 1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.618 1.867 2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.680 1.000 3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.335 0.475 3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.035 0.830 0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.767 -0.605 0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.397 -0.790 -0.148 1.00 0.00 H new ATOM 1109 N LYS A 76 2.452 -0.986 4.494 1.00 0.00 N ATOM 1110 CA LYS A 76 1.318 -0.868 5.403 1.00 0.00 C ATOM 1111 C LYS A 76 0.465 0.348 5.054 1.00 0.00 C ATOM 1112 O LYS A 76 0.959 1.361 4.559 1.00 0.00 O ATOM 1113 CB LYS A 76 1.805 -0.763 6.850 1.00 0.00 C ATOM 1114 CG LYS A 76 2.447 -2.038 7.369 1.00 0.00 C ATOM 1115 CD LYS A 76 2.571 -2.023 8.883 1.00 0.00 C ATOM 1116 CE LYS A 76 2.868 -3.410 9.432 1.00 0.00 C ATOM 1117 NZ LYS A 76 2.872 -3.428 10.921 1.00 0.00 N ATOM 0 H LYS A 76 3.355 -0.768 4.916 1.00 0.00 H new ATOM 0 HA LYS A 76 0.705 -1.763 5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.524 0.052 6.924 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.962 -0.504 7.490 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.852 -2.898 7.060 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.435 -2.157 6.923 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.365 -1.336 9.177 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.646 -1.648 9.321 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.123 -4.114 9.062 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.836 -3.747 9.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.078 -4.391 11.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.600 -2.775 11.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.940 -3.131 11.274 1.00 0.00 H new ATOM 1131 N PRO A 77 -0.846 0.247 5.317 1.00 0.00 N ATOM 1132 CA PRO A 77 -1.795 1.330 5.040 1.00 0.00 C ATOM 1133 C PRO A 77 -1.600 2.524 5.970 1.00 0.00 C ATOM 1134 O PRO A 77 -2.159 3.596 5.744 1.00 0.00 O ATOM 1135 CB PRO A 77 -3.158 0.679 5.285 1.00 0.00 C ATOM 1136 CG PRO A 77 -2.882 -0.430 6.241 1.00 0.00 C ATOM 1137 CD PRO A 77 -1.504 -0.931 5.906 1.00 0.00 C ATOM 0 HA PRO A 77 -1.673 1.731 4.034 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.869 1.393 5.701 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.590 0.304 4.357 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.930 -0.078 7.272 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.621 -1.225 6.141 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.978 -1.283 6.793 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.539 -1.764 5.204 1.00 0.00 H new ATOM 1145 N ALA A 78 -0.802 2.330 7.015 1.00 0.00 N ATOM 1146 CA ALA A 78 -0.531 3.391 7.977 1.00 0.00 C ATOM 1147 C ALA A 78 0.381 4.455 7.377 1.00 0.00 C ATOM 1148 O ALA A 78 0.099 5.650 7.468 1.00 0.00 O ATOM 1149 CB ALA A 78 0.089 2.812 9.240 1.00 0.00 C ATOM 0 H ALA A 78 -0.332 1.448 7.217 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.478 3.865 8.235 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.286 3.615 9.950 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.599 2.094 9.687 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.024 2.311 8.990 1.00 0.00 H new ATOM 1155 N TRP A 79 1.474 4.015 6.765 1.00 0.00 N ATOM 1156 CA TRP A 79 2.428 4.931 6.151 1.00 0.00 C ATOM 1157 C TRP A 79 1.708 6.030 5.378 1.00 0.00 C ATOM 1158 O TRP A 79 2.148 7.180 5.359 1.00 0.00 O ATOM 1159 CB TRP A 79 3.371 4.169 5.218 1.00 0.00 C ATOM 1160 CG TRP A 79 4.141 5.062 4.292 1.00 0.00 C ATOM 1161 CD1 TRP A 79 5.085 5.985 4.641 1.00 0.00 C ATOM 1162 CD2 TRP A 79 4.030 5.117 2.866 1.00 0.00 C ATOM 1163 NE1 TRP A 79 5.568 6.611 3.517 1.00 0.00 N ATOM 1164 CE2 TRP A 79 4.938 6.096 2.416 1.00 0.00 C ATOM 1165 CE3 TRP A 79 3.255 4.434 1.925 1.00 0.00 C ATOM 1166 CZ2 TRP A 79 5.088 6.406 1.067 1.00 0.00 C ATOM 1167 CZ3 TRP A 79 3.405 4.744 0.587 1.00 0.00 C ATOM 1168 CH2 TRP A 79 4.316 5.722 0.168 1.00 0.00 C ATOM 0 H TRP A 79 1.722 3.029 6.681 1.00 0.00 H new ATOM 0 HA TRP A 79 3.011 5.394 6.947 1.00 0.00 H new ATOM 0 HB2 TRP A 79 4.072 3.588 5.817 1.00 0.00 H new ATOM 0 HB3 TRP A 79 2.791 3.459 4.628 1.00 0.00 H new ATOM 0 HD1 TRP A 79 5.405 6.192 5.651 1.00 0.00 H new ATOM 0 HE1 TRP A 79 6.280 7.341 3.505 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.551 3.677 2.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 5.789 7.160 0.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 2.810 4.223 -0.148 1.00 0.00 H new ATOM 0 HH2 TRP A 79 4.411 5.940 -0.885 1.00 0.00 H new ATOM 1179 N LEU A 80 0.598 5.671 4.743 1.00 0.00 N ATOM 1180 CA LEU A 80 -0.185 6.628 3.969 1.00 0.00 C ATOM 1181 C LEU A 80 -0.731 7.735 4.864 1.00 0.00 C ATOM 1182 O LEU A 80 -0.724 8.910 4.492 1.00 0.00 O ATOM 1183 CB LEU A 80 -1.337 5.917 3.256 1.00 0.00 C ATOM 1184 CG LEU A 80 -0.997 5.265 1.916 1.00 0.00 C ATOM 1185 CD1 LEU A 80 -2.152 4.402 1.433 1.00 0.00 C ATOM 1186 CD2 LEU A 80 -0.651 6.324 0.880 1.00 0.00 C ATOM 0 H LEU A 80 0.220 4.724 4.749 1.00 0.00 H new ATOM 0 HA LEU A 80 0.471 7.079 3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.731 5.149 3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.138 6.639 3.093 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.126 4.625 2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.891 3.946 0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.353 3.620 2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.041 5.020 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.412 5.841 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.502 6.991 0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.209 6.900 1.221 1.00 0.00 H new ATOM 1198 N LEU A 81 -1.203 7.354 6.046 1.00 0.00 N ATOM 1199 CA LEU A 81 -1.752 8.315 6.997 1.00 0.00 C ATOM 1200 C LEU A 81 -0.732 9.401 7.324 1.00 0.00 C ATOM 1201 O LEU A 81 -1.027 10.591 7.230 1.00 0.00 O ATOM 1202 CB LEU A 81 -2.185 7.603 8.279 1.00 0.00 C ATOM 1203 CG LEU A 81 -3.480 6.794 8.193 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -3.769 6.107 9.519 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -4.643 7.690 7.790 1.00 0.00 C ATOM 0 H LEU A 81 -1.217 6.387 6.369 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.622 8.786 6.539 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.382 6.934 8.588 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.298 8.350 9.065 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.357 6.027 7.429 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.694 5.536 9.439 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.948 5.434 9.767 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.872 6.858 10.303 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.556 7.098 7.734 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.768 8.480 8.531 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.439 8.135 6.816 1.00 0.00 H new ATOM 1217 N GLU A 82 0.470 8.980 7.707 1.00 0.00 N ATOM 1218 CA GLU A 82 1.534 9.917 8.047 1.00 0.00 C ATOM 1219 C GLU A 82 1.617 11.042 7.019 1.00 0.00 C ATOM 1220 O GLU A 82 1.982 12.172 7.347 1.00 0.00 O ATOM 1221 CB GLU A 82 2.877 9.189 8.132 1.00 0.00 C ATOM 1222 CG GLU A 82 3.134 8.542 9.482 1.00 0.00 C ATOM 1223 CD GLU A 82 2.819 9.466 10.642 1.00 0.00 C ATOM 1224 OE1 GLU A 82 3.583 10.430 10.857 1.00 0.00 O ATOM 1225 OE2 GLU A 82 1.808 9.225 11.334 1.00 0.00 O ATOM 0 H GLU A 82 0.731 7.997 7.789 1.00 0.00 H new ATOM 0 HA GLU A 82 1.303 10.353 9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.915 8.422 7.358 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.678 9.897 7.919 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.531 7.638 9.568 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.178 8.235 9.540 1.00 0.00 H new ATOM 1232 N CYS A 83 1.277 10.725 5.775 1.00 0.00 N ATOM 1233 CA CYS A 83 1.314 11.707 4.697 1.00 0.00 C ATOM 1234 C CYS A 83 0.071 12.590 4.724 1.00 0.00 C ATOM 1235 O CYS A 83 0.125 13.768 4.368 1.00 0.00 O ATOM 1236 CB CYS A 83 1.428 11.006 3.343 1.00 0.00 C ATOM 1237 SG CYS A 83 2.680 9.703 3.289 1.00 0.00 S ATOM 0 H CYS A 83 0.972 9.795 5.487 1.00 0.00 H new ATOM 0 HA CYS A 83 2.190 12.339 4.844 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.460 10.576 3.086 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.659 11.749 2.580 1.00 0.00 H new ATOM 0 HG CYS A 83 2.361 8.759 4.124 1.00 0.00 H new ATOM 1243 N PHE A 84 -1.049 12.013 5.147 1.00 0.00 N ATOM 1244 CA PHE A 84 -2.307 12.747 5.217 1.00 0.00 C ATOM 1245 C PHE A 84 -2.329 13.675 6.428 1.00 0.00 C ATOM 1246 O PHE A 84 -2.976 14.722 6.411 1.00 0.00 O ATOM 1247 CB PHE A 84 -3.486 11.774 5.286 1.00 0.00 C ATOM 1248 CG PHE A 84 -3.620 10.907 4.066 1.00 0.00 C ATOM 1249 CD1 PHE A 84 -3.459 11.443 2.798 1.00 0.00 C ATOM 1250 CD2 PHE A 84 -3.905 9.557 4.188 1.00 0.00 C ATOM 1251 CE1 PHE A 84 -3.582 10.647 1.675 1.00 0.00 C ATOM 1252 CE2 PHE A 84 -4.029 8.756 3.068 1.00 0.00 C ATOM 1253 CZ PHE A 84 -3.866 9.302 1.810 1.00 0.00 C ATOM 0 H PHE A 84 -1.111 11.040 5.446 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.396 13.353 4.315 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.371 11.138 6.163 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.407 12.341 5.422 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.235 12.494 2.686 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.032 9.125 5.170 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.456 11.076 0.692 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.253 7.705 3.177 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.960 8.678 0.933 1.00 0.00 H new ATOM 1263 N LYS A 85 -1.616 13.283 7.479 1.00 0.00 N ATOM 1264 CA LYS A 85 -1.551 14.079 8.699 1.00 0.00 C ATOM 1265 C LYS A 85 -0.519 15.194 8.567 1.00 0.00 C ATOM 1266 O LYS A 85 -0.674 16.270 9.147 1.00 0.00 O ATOM 1267 CB LYS A 85 -1.205 13.188 9.895 1.00 0.00 C ATOM 1268 CG LYS A 85 -1.012 13.957 11.191 1.00 0.00 C ATOM 1269 CD LYS A 85 -1.239 13.071 12.404 1.00 0.00 C ATOM 1270 CE LYS A 85 0.011 12.283 12.760 1.00 0.00 C ATOM 1271 NZ LYS A 85 1.108 13.169 13.238 1.00 0.00 N ATOM 0 H LYS A 85 -1.075 12.419 7.510 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.529 14.531 8.861 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.999 12.454 10.033 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.294 12.633 9.672 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.003 14.369 11.224 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.702 14.800 11.221 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.538 13.685 13.254 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.060 12.382 12.204 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.228 11.552 13.533 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.349 11.725 11.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.770 12.618 13.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.614 13.567 12.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.707 13.942 13.807 1.00 0.00 H new ATOM 1285 N THR A 86 0.534 14.932 7.800 1.00 0.00 N ATOM 1286 CA THR A 86 1.591 15.914 7.592 1.00 0.00 C ATOM 1287 C THR A 86 1.494 16.541 6.206 1.00 0.00 C ATOM 1288 O THR A 86 2.215 17.488 5.889 1.00 0.00 O ATOM 1289 CB THR A 86 2.986 15.282 7.760 1.00 0.00 C ATOM 1290 OG1 THR A 86 3.341 14.556 6.578 1.00 0.00 O ATOM 1291 CG2 THR A 86 3.016 14.351 8.962 1.00 0.00 C ATOM 0 H THR A 86 0.678 14.048 7.312 1.00 0.00 H new ATOM 0 HA THR A 86 1.457 16.687 8.348 1.00 0.00 H new ATOM 0 HB THR A 86 3.707 16.083 7.923 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.962 13.653 6.622 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.011 13.916 9.061 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.774 14.913 9.864 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.284 13.555 8.824 1.00 0.00 H new ATOM 1299 N LYS A 87 0.598 16.008 5.382 1.00 0.00 N ATOM 1300 CA LYS A 87 0.404 16.516 4.029 1.00 0.00 C ATOM 1301 C LYS A 87 1.734 16.618 3.290 1.00 0.00 C ATOM 1302 O LYS A 87 2.000 17.605 2.603 1.00 0.00 O ATOM 1303 CB LYS A 87 -0.275 17.887 4.070 1.00 0.00 C ATOM 1304 CG LYS A 87 -1.496 17.935 4.973 1.00 0.00 C ATOM 1305 CD LYS A 87 -2.607 17.037 4.456 1.00 0.00 C ATOM 1306 CE LYS A 87 -3.895 17.236 5.242 1.00 0.00 C ATOM 1307 NZ LYS A 87 -5.057 16.584 4.576 1.00 0.00 N ATOM 0 H LYS A 87 -0.006 15.224 5.628 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.236 15.815 3.493 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.447 18.630 4.409 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.570 18.167 3.059 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.217 17.627 5.981 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.858 18.961 5.042 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.786 17.248 3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.295 15.995 4.524 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.775 16.827 6.245 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.091 18.302 5.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.896 17.192 4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.843 16.438 3.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.245 15.666 5.026 1.00 0.00 H new ATOM 1321 N SER A 88 2.567 15.592 3.435 1.00 0.00 N ATOM 1322 CA SER A 88 3.871 15.567 2.783 1.00 0.00 C ATOM 1323 C SER A 88 4.283 14.138 2.445 1.00 0.00 C ATOM 1324 O SER A 88 3.712 13.177 2.961 1.00 0.00 O ATOM 1325 CB SER A 88 4.926 16.215 3.681 1.00 0.00 C ATOM 1326 OG SER A 88 5.004 17.611 3.451 1.00 0.00 O ATOM 0 H SER A 88 2.362 14.767 3.999 1.00 0.00 H new ATOM 0 HA SER A 88 3.796 16.134 1.855 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.682 16.029 4.727 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.898 15.758 3.494 1.00 0.00 H new ATOM 0 HG SER A 88 4.130 17.944 3.159 1.00 0.00 H new ATOM 1332 N PHE A 89 5.278 14.005 1.575 1.00 0.00 N ATOM 1333 CA PHE A 89 5.767 12.694 1.166 1.00 0.00 C ATOM 1334 C PHE A 89 6.709 12.113 2.217 1.00 0.00 C ATOM 1335 O PHE A 89 7.920 12.332 2.170 1.00 0.00 O ATOM 1336 CB PHE A 89 6.485 12.791 -0.182 1.00 0.00 C ATOM 1337 CG PHE A 89 6.441 11.518 -0.977 1.00 0.00 C ATOM 1338 CD1 PHE A 89 7.246 10.443 -0.635 1.00 0.00 C ATOM 1339 CD2 PHE A 89 5.595 11.396 -2.068 1.00 0.00 C ATOM 1340 CE1 PHE A 89 7.208 9.270 -1.365 1.00 0.00 C ATOM 1341 CE2 PHE A 89 5.552 10.225 -2.801 1.00 0.00 C ATOM 1342 CZ PHE A 89 6.360 9.161 -2.450 1.00 0.00 C ATOM 0 H PHE A 89 5.762 14.790 1.139 1.00 0.00 H new ATOM 0 HA PHE A 89 4.909 12.029 1.065 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.034 13.592 -0.768 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.525 13.068 -0.011 1.00 0.00 H new ATOM 0 HD1 PHE A 89 7.911 10.523 0.212 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.962 12.225 -2.349 1.00 0.00 H new ATOM 0 HE1 PHE A 89 7.840 8.440 -1.088 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.887 10.142 -3.648 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.329 8.246 -3.023 1.00 0.00 H new ATOM 1352 N VAL A 90 6.145 11.372 3.165 1.00 0.00 N ATOM 1353 CA VAL A 90 6.933 10.759 4.227 1.00 0.00 C ATOM 1354 C VAL A 90 7.895 9.718 3.666 1.00 0.00 C ATOM 1355 O VAL A 90 7.554 8.936 2.778 1.00 0.00 O ATOM 1356 CB VAL A 90 6.031 10.093 5.283 1.00 0.00 C ATOM 1357 CG1 VAL A 90 6.872 9.395 6.341 1.00 0.00 C ATOM 1358 CG2 VAL A 90 5.106 11.121 5.917 1.00 0.00 C ATOM 0 H VAL A 90 5.144 11.182 3.219 1.00 0.00 H new ATOM 0 HA VAL A 90 7.503 11.559 4.700 1.00 0.00 H new ATOM 0 HB VAL A 90 5.416 9.341 4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.217 8.931 7.078 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.488 8.629 5.869 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.514 10.124 6.835 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.476 10.634 6.661 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.701 11.898 6.398 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.478 11.569 5.147 1.00 0.00 H new ATOM 1368 N PRO A 91 9.127 9.704 4.197 1.00 0.00 N ATOM 1369 CA PRO A 91 10.164 8.762 3.765 1.00 0.00 C ATOM 1370 C PRO A 91 9.859 7.329 4.189 1.00 0.00 C ATOM 1371 O PRO A 91 9.451 7.082 5.324 1.00 0.00 O ATOM 1372 CB PRO A 91 11.422 9.272 4.471 1.00 0.00 C ATOM 1373 CG PRO A 91 10.916 10.001 5.668 1.00 0.00 C ATOM 1374 CD PRO A 91 9.602 10.606 5.259 1.00 0.00 C ATOM 0 HA PRO A 91 10.253 8.724 2.679 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.077 8.449 4.757 1.00 0.00 H new ATOM 0 HB3 PRO A 91 12.001 9.930 3.822 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.788 9.324 6.512 1.00 0.00 H new ATOM 0 HG3 PRO A 91 11.620 10.772 5.982 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.902 10.648 6.093 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.725 11.626 4.895 1.00 0.00 H new ATOM 1382 N TRP A 92 10.059 6.390 3.272 1.00 0.00 N ATOM 1383 CA TRP A 92 9.805 4.982 3.552 1.00 0.00 C ATOM 1384 C TRP A 92 10.564 4.528 4.794 1.00 0.00 C ATOM 1385 O TRP A 92 11.686 4.970 5.042 1.00 0.00 O ATOM 1386 CB TRP A 92 10.206 4.122 2.352 1.00 0.00 C ATOM 1387 CG TRP A 92 9.106 3.951 1.349 1.00 0.00 C ATOM 1388 CD1 TRP A 92 7.875 4.542 1.375 1.00 0.00 C ATOM 1389 CD2 TRP A 92 9.137 3.135 0.173 1.00 0.00 C ATOM 1390 NE1 TRP A 92 7.138 4.141 0.286 1.00 0.00 N ATOM 1391 CE2 TRP A 92 7.890 3.280 -0.467 1.00 0.00 C ATOM 1392 CE3 TRP A 92 10.097 2.299 -0.403 1.00 0.00 C ATOM 1393 CZ2 TRP A 92 7.581 2.617 -1.652 1.00 0.00 C ATOM 1394 CZ3 TRP A 92 9.789 1.642 -1.578 1.00 0.00 C ATOM 1395 CH2 TRP A 92 8.540 1.804 -2.193 1.00 0.00 C ATOM 0 H TRP A 92 10.396 6.578 2.328 1.00 0.00 H new ATOM 0 HA TRP A 92 8.738 4.861 3.737 1.00 0.00 H new ATOM 0 HB2 TRP A 92 11.068 4.575 1.862 1.00 0.00 H new ATOM 0 HB3 TRP A 92 10.520 3.140 2.707 1.00 0.00 H new ATOM 0 HD1 TRP A 92 7.531 5.224 2.139 1.00 0.00 H new ATOM 0 HE1 TRP A 92 6.185 4.437 0.074 1.00 0.00 H new ATOM 0 HE3 TRP A 92 11.063 2.169 0.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 6.619 2.740 -2.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 10.523 0.992 -2.031 1.00 0.00 H new ATOM 0 HH2 TRP A 92 8.330 1.277 -3.112 1.00 0.00 H new ATOM 1406 N GLN A 93 9.945 3.645 5.571 1.00 0.00 N ATOM 1407 CA GLN A 93 10.564 3.134 6.789 1.00 0.00 C ATOM 1408 C GLN A 93 10.503 1.610 6.831 1.00 0.00 C ATOM 1409 O GLN A 93 9.676 0.979 6.173 1.00 0.00 O ATOM 1410 CB GLN A 93 9.873 3.718 8.022 1.00 0.00 C ATOM 1411 CG GLN A 93 10.347 5.118 8.378 1.00 0.00 C ATOM 1412 CD GLN A 93 10.073 5.476 9.826 1.00 0.00 C ATOM 1413 OE1 GLN A 93 10.640 4.880 10.742 1.00 0.00 O ATOM 1414 NE2 GLN A 93 9.201 6.454 10.039 1.00 0.00 N ATOM 0 H GLN A 93 9.016 3.269 5.379 1.00 0.00 H new ATOM 0 HA GLN A 93 11.611 3.439 6.790 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.797 3.741 7.849 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.045 3.058 8.872 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.417 5.195 8.185 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.853 5.841 7.729 1.00 0.00 H new ATOM 0 HE21 GLN A 93 8.755 6.920 9.249 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.977 6.739 10.992 1.00 0.00 H new ATOM 1423 N PRO A 94 11.399 1.004 7.624 1.00 0.00 N ATOM 1424 CA PRO A 94 11.467 -0.453 7.771 1.00 0.00 C ATOM 1425 C PRO A 94 10.270 -1.016 8.530 1.00 0.00 C ATOM 1426 O PRO A 94 10.035 -2.224 8.529 1.00 0.00 O ATOM 1427 CB PRO A 94 12.756 -0.669 8.570 1.00 0.00 C ATOM 1428 CG PRO A 94 12.953 0.602 9.321 1.00 0.00 C ATOM 1429 CD PRO A 94 12.415 1.693 8.437 1.00 0.00 C ATOM 0 HA PRO A 94 11.456 -0.961 6.806 1.00 0.00 H new ATOM 0 HB2 PRO A 94 12.665 -1.519 9.247 1.00 0.00 H new ATOM 0 HB3 PRO A 94 13.600 -0.875 7.912 1.00 0.00 H new ATOM 0 HG2 PRO A 94 12.426 0.577 10.275 1.00 0.00 H new ATOM 0 HG3 PRO A 94 14.008 0.764 9.543 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.980 2.505 9.020 1.00 0.00 H new ATOM 0 HD3 PRO A 94 13.197 2.130 7.817 1.00 0.00 H new ATOM 1437 N ARG A 95 9.516 -0.132 9.175 1.00 0.00 N ATOM 1438 CA ARG A 95 8.343 -0.541 9.938 1.00 0.00 C ATOM 1439 C ARG A 95 7.086 -0.486 9.074 1.00 0.00 C ATOM 1440 O ARG A 95 6.089 -1.146 9.368 1.00 0.00 O ATOM 1441 CB ARG A 95 8.170 0.354 11.166 1.00 0.00 C ATOM 1442 CG ARG A 95 7.850 1.800 10.826 1.00 0.00 C ATOM 1443 CD ARG A 95 7.768 2.661 12.077 1.00 0.00 C ATOM 1444 NE ARG A 95 6.427 2.659 12.655 1.00 0.00 N ATOM 1445 CZ ARG A 95 6.173 2.961 13.924 1.00 0.00 C ATOM 1446 NH1 ARG A 95 7.164 3.288 14.742 1.00 0.00 N ATOM 1447 NH2 ARG A 95 4.926 2.936 14.376 1.00 0.00 N ATOM 0 H ARG A 95 9.696 0.872 9.184 1.00 0.00 H new ATOM 0 HA ARG A 95 8.494 -1.570 10.265 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.372 -0.049 11.789 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.084 0.323 11.759 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.616 2.196 10.160 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.904 1.848 10.287 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.482 2.296 12.816 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.056 3.684 11.833 1.00 0.00 H new ATOM 0 HE ARG A 95 5.642 2.412 12.052 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.124 3.308 14.398 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.966 3.519 15.716 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.161 2.685 13.749 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.732 3.168 15.350 1.00 0.00 H new ATOM 1461 N PHE A 96 7.142 0.304 8.007 1.00 0.00 N ATOM 1462 CA PHE A 96 6.008 0.447 7.102 1.00 0.00 C ATOM 1463 C PHE A 96 6.056 -0.608 6.000 1.00 0.00 C ATOM 1464 O PHE A 96 5.056 -1.263 5.709 1.00 0.00 O ATOM 1465 CB PHE A 96 5.994 1.846 6.483 1.00 0.00 C ATOM 1466 CG PHE A 96 5.789 2.944 7.488 1.00 0.00 C ATOM 1467 CD1 PHE A 96 4.859 2.805 8.505 1.00 0.00 C ATOM 1468 CD2 PHE A 96 6.527 4.114 7.415 1.00 0.00 C ATOM 1469 CE1 PHE A 96 4.668 3.813 9.431 1.00 0.00 C ATOM 1470 CE2 PHE A 96 6.340 5.125 8.339 1.00 0.00 C ATOM 1471 CZ PHE A 96 5.409 4.975 9.347 1.00 0.00 C ATOM 0 H PHE A 96 7.960 0.855 7.748 1.00 0.00 H new ATOM 0 HA PHE A 96 5.095 0.304 7.679 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.936 2.013 5.961 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.202 1.896 5.735 1.00 0.00 H new ATOM 0 HD1 PHE A 96 4.276 1.898 8.575 1.00 0.00 H new ATOM 0 HD2 PHE A 96 7.256 4.238 6.628 1.00 0.00 H new ATOM 0 HE1 PHE A 96 3.940 3.692 10.219 1.00 0.00 H new ATOM 0 HE2 PHE A 96 6.922 6.032 8.272 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.260 5.765 10.068 1.00 0.00 H new ATOM 1481 N MET A 97 7.226 -0.765 5.390 1.00 0.00 N ATOM 1482 CA MET A 97 7.406 -1.741 4.321 1.00 0.00 C ATOM 1483 C MET A 97 7.313 -3.164 4.862 1.00 0.00 C ATOM 1484 O MET A 97 7.908 -3.487 5.891 1.00 0.00 O ATOM 1485 CB MET A 97 8.756 -1.531 3.632 1.00 0.00 C ATOM 1486 CG MET A 97 8.998 -0.097 3.192 1.00 0.00 C ATOM 1487 SD MET A 97 7.987 0.375 1.775 1.00 0.00 S ATOM 1488 CE MET A 97 8.693 -0.662 0.496 1.00 0.00 C ATOM 0 H MET A 97 8.064 -0.229 5.617 1.00 0.00 H new ATOM 0 HA MET A 97 6.608 -1.596 3.593 1.00 0.00 H new ATOM 0 HB2 MET A 97 9.552 -1.833 4.312 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.816 -2.184 2.762 1.00 0.00 H new ATOM 0 HG2 MET A 97 8.787 0.575 4.024 1.00 0.00 H new ATOM 0 HG3 MET A 97 10.051 0.029 2.940 1.00 0.00 H new ATOM 0 HE1 MET A 97 8.208 -0.446 -0.456 1.00 0.00 H new ATOM 0 HE2 MET A 97 9.761 -0.461 0.413 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.540 -1.710 0.752 1.00 0.00 H new ATOM 1498 N ILE A 98 6.563 -4.010 4.164 1.00 0.00 N ATOM 1499 CA ILE A 98 6.394 -5.398 4.575 1.00 0.00 C ATOM 1500 C ILE A 98 7.201 -6.337 3.685 1.00 0.00 C ATOM 1501 O ILE A 98 7.733 -7.345 4.150 1.00 0.00 O ATOM 1502 CB ILE A 98 4.913 -5.820 4.536 1.00 0.00 C ATOM 1503 CG1 ILE A 98 4.086 -4.944 5.480 1.00 0.00 C ATOM 1504 CG2 ILE A 98 4.771 -7.288 4.906 1.00 0.00 C ATOM 1505 CD1 ILE A 98 2.593 -5.076 5.275 1.00 0.00 C ATOM 0 H ILE A 98 6.063 -3.758 3.311 1.00 0.00 H new ATOM 0 HA ILE A 98 6.758 -5.470 5.600 1.00 0.00 H new ATOM 0 HB ILE A 98 4.538 -5.684 3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 98 4.328 -5.206 6.510 1.00 0.00 H new ATOM 0 HG13 ILE A 98 4.373 -3.902 5.340 1.00 0.00 H new ATOM 0 HG21 ILE A 98 3.719 -7.571 4.874 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.333 -7.898 4.198 1.00 0.00 H new ATOM 0 HG23 ILE A 98 5.160 -7.449 5.912 1.00 0.00 H new ATOM 0 HD11 ILE A 98 2.070 -4.427 5.978 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.339 -4.786 4.255 1.00 0.00 H new ATOM 0 HD13 ILE A 98 2.293 -6.110 5.444 1.00 0.00 H new ATOM 1517 N HIS A 99 7.290 -5.997 2.403 1.00 0.00 N ATOM 1518 CA HIS A 99 8.036 -6.809 1.447 1.00 0.00 C ATOM 1519 C HIS A 99 8.673 -5.934 0.372 1.00 0.00 C ATOM 1520 O HIS A 99 7.992 -5.148 -0.286 1.00 0.00 O ATOM 1521 CB HIS A 99 7.117 -7.845 0.800 1.00 0.00 C ATOM 1522 CG HIS A 99 7.835 -8.806 -0.098 1.00 0.00 C ATOM 1523 ND1 HIS A 99 8.402 -9.979 0.355 1.00 0.00 N ATOM 1524 CD2 HIS A 99 8.076 -8.762 -1.429 1.00 0.00 C ATOM 1525 CE1 HIS A 99 8.961 -10.614 -0.659 1.00 0.00 C ATOM 1526 NE2 HIS A 99 8.778 -9.897 -1.753 1.00 0.00 N ATOM 0 H HIS A 99 6.855 -5.166 2.002 1.00 0.00 H new ATOM 0 HA HIS A 99 8.830 -7.325 1.987 1.00 0.00 H new ATOM 0 HB2 HIS A 99 6.606 -8.405 1.583 1.00 0.00 H new ATOM 0 HB3 HIS A 99 6.349 -7.328 0.225 1.00 0.00 H new ATOM 0 HD2 HIS A 99 7.773 -7.980 -2.109 1.00 0.00 H new ATOM 0 HE1 HIS A 99 9.480 -11.560 -0.603 1.00 0.00 H new ATOM 0 HE2 HIS A 99 9.105 -10.146 -2.687 1.00 0.00 H new