USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 755 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 76 MET CE :methyl 164:sc= -0.119 (180deg=-0.521) USER MOD Set 1.2: A 80 THR OG1 : rot 61:sc= 1.17 USER MOD Set 1.3: A 91 THR OG1 : rot 180:sc= 0.0225 USER MOD Single : A 3 HIS : no HD1:sc= -0.458 X(o=-0.46,f=-0.44) USER MOD Single : A 5 THR OG1 : rot -128:sc= 1.26 USER MOD Single : A 9 CYS SG : rot 101:sc= 1.91 USER MOD Single : A 11 MET CE :methyl 153:sc= -0.0109 (180deg=-1.1) USER MOD Single : A 12 ASN : amide:sc= 0.732 K(o=0.73,f=-0.43) USER MOD Single : A 13 MET CE :methyl -150:sc= -3.74! (180deg=-7.11!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -18:sc= -1.22 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 122:sc= 0.0243 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0917 USER MOD Single : A 59 CYS SG : rot 58:sc= 0.32 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 8:sc= 1.23 USER MOD Single : A 68 SER OG : rot 180:sc= 0.0289 USER MOD Single : A 72 CYS SG : rot 149:sc= 0.487 USER MOD Single : A 73 GLN : amide:sc= -0.276 X(o=-0.28,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.0223 K(o=-0.022,f=-0.82) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0.012 X(o=0.012,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 162:sc= -0.0389 (180deg=-0.313) USER MOD Single : A 93 TYR OH : rot 99:sc= 0.124 USER MOD Single : A 94 CYS SG : rot 173:sc= 0.203 USER MOD Single : A 98 SER OG : rot 56:sc= 1.29 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.083) USER MOD ----------------------------------------------------------------- ATOM 15 N HIS A 3 12.527 14.806 1.378 1.00 0.00 N ATOM 16 CA HIS A 3 11.624 15.931 1.168 1.00 0.00 C ATOM 17 C HIS A 3 10.170 15.456 1.194 1.00 0.00 C ATOM 18 O HIS A 3 9.913 14.266 1.001 1.00 0.00 O ATOM 19 CB HIS A 3 12.002 16.637 -0.148 1.00 0.00 C ATOM 20 CG HIS A 3 12.185 15.758 -1.366 1.00 0.00 C ATOM 21 ND1 HIS A 3 13.211 14.861 -1.582 1.00 0.00 N ATOM 22 CD2 HIS A 3 11.416 15.775 -2.497 1.00 0.00 C ATOM 23 CE1 HIS A 3 13.025 14.299 -2.787 1.00 0.00 C ATOM 24 NE2 HIS A 3 11.954 14.840 -3.392 1.00 0.00 N ATOM 0 HA HIS A 3 11.724 16.657 1.975 1.00 0.00 H new ATOM 0 HB2 HIS A 3 11.230 17.372 -0.373 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.928 17.188 0.016 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.550 16.397 -2.669 1.00 0.00 H new ATOM 0 HE1 HIS A 3 13.647 13.524 -3.209 1.00 0.00 H new ATOM 0 HE2 HIS A 3 11.601 14.614 -4.322 1.00 0.00 H new ATOM 32 N PRO A 4 9.201 16.347 1.460 1.00 0.00 N ATOM 33 CA PRO A 4 7.803 16.059 1.206 1.00 0.00 C ATOM 34 C PRO A 4 7.603 15.975 -0.307 1.00 0.00 C ATOM 35 O PRO A 4 8.030 16.869 -1.047 1.00 0.00 O ATOM 36 CB PRO A 4 7.013 17.210 1.833 1.00 0.00 C ATOM 37 CG PRO A 4 8.011 18.368 1.889 1.00 0.00 C ATOM 38 CD PRO A 4 9.380 17.701 1.954 1.00 0.00 C ATOM 0 HA PRO A 4 7.468 15.114 1.633 1.00 0.00 H new ATOM 0 HB2 PRO A 4 6.140 17.466 1.233 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.651 16.949 2.827 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.924 19.008 1.011 1.00 0.00 H new ATOM 0 HG3 PRO A 4 7.837 18.998 2.761 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.105 18.243 1.347 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.761 17.695 2.975 1.00 0.00 H new ATOM 46 N THR A 5 6.935 14.916 -0.753 1.00 0.00 N ATOM 47 CA THR A 5 6.517 14.715 -2.132 1.00 0.00 C ATOM 48 C THR A 5 5.001 14.498 -2.127 1.00 0.00 C ATOM 49 O THR A 5 4.377 14.518 -1.062 1.00 0.00 O ATOM 50 CB THR A 5 7.289 13.540 -2.760 1.00 0.00 C ATOM 51 OG1 THR A 5 6.910 12.326 -2.159 1.00 0.00 O ATOM 52 CG2 THR A 5 8.808 13.626 -2.645 1.00 0.00 C ATOM 0 H THR A 5 6.661 14.148 -0.140 1.00 0.00 H new ATOM 0 HA THR A 5 6.745 15.585 -2.748 1.00 0.00 H new ATOM 0 HB THR A 5 7.028 13.591 -3.817 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.710 11.846 -1.859 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.259 12.753 -3.117 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.160 14.530 -3.143 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.092 13.657 -1.593 1.00 0.00 H new ATOM 60 N GLU A 6 4.389 14.301 -3.291 1.00 0.00 N ATOM 61 CA GLU A 6 2.955 14.062 -3.391 1.00 0.00 C ATOM 62 C GLU A 6 2.573 12.595 -3.227 1.00 0.00 C ATOM 63 O GLU A 6 1.381 12.309 -3.171 1.00 0.00 O ATOM 64 CB GLU A 6 2.437 14.657 -4.696 1.00 0.00 C ATOM 65 CG GLU A 6 2.910 13.945 -5.969 1.00 0.00 C ATOM 66 CD GLU A 6 2.673 14.807 -7.208 1.00 0.00 C ATOM 67 OE1 GLU A 6 2.290 15.994 -7.092 1.00 0.00 O ATOM 68 OE2 GLU A 6 3.018 14.364 -8.326 1.00 0.00 O ATOM 0 H GLU A 6 4.873 14.303 -4.189 1.00 0.00 H new ATOM 0 HA GLU A 6 2.470 14.564 -2.554 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.347 14.645 -4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.743 15.702 -4.748 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.971 13.710 -5.884 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.382 12.998 -6.076 1.00 0.00 H new ATOM 75 N VAL A 7 3.529 11.667 -3.112 1.00 0.00 N ATOM 76 CA VAL A 7 3.190 10.310 -2.712 1.00 0.00 C ATOM 77 C VAL A 7 3.108 10.244 -1.190 1.00 0.00 C ATOM 78 O VAL A 7 3.351 11.241 -0.504 1.00 0.00 O ATOM 79 CB VAL A 7 4.106 9.263 -3.377 1.00 0.00 C ATOM 80 CG1 VAL A 7 4.258 9.529 -4.881 1.00 0.00 C ATOM 81 CG2 VAL A 7 5.464 9.079 -2.753 1.00 0.00 C ATOM 0 H VAL A 7 4.520 11.831 -3.287 1.00 0.00 H new ATOM 0 HA VAL A 7 2.202 10.041 -3.084 1.00 0.00 H new ATOM 0 HB VAL A 7 3.582 8.323 -3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.910 8.774 -5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.279 9.486 -5.359 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.693 10.517 -5.034 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.018 8.319 -3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.010 10.022 -2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.348 8.763 -1.716 1.00 0.00 H new ATOM 91 N LEU A 8 2.803 9.075 -0.642 1.00 0.00 N ATOM 92 CA LEU A 8 2.942 8.746 0.767 1.00 0.00 C ATOM 93 C LEU A 8 3.091 7.218 0.831 1.00 0.00 C ATOM 94 O LEU A 8 2.792 6.523 -0.144 1.00 0.00 O ATOM 95 CB LEU A 8 1.697 9.292 1.497 1.00 0.00 C ATOM 96 CG LEU A 8 1.848 9.770 2.946 1.00 0.00 C ATOM 97 CD1 LEU A 8 2.957 10.798 3.180 1.00 0.00 C ATOM 98 CD2 LEU A 8 0.525 10.442 3.321 1.00 0.00 C ATOM 0 H LEU A 8 2.437 8.298 -1.192 1.00 0.00 H new ATOM 0 HA LEU A 8 3.808 9.192 1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.309 10.126 0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.936 8.512 1.483 1.00 0.00 H new ATOM 0 HG LEU A 8 2.108 8.897 3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.983 11.072 4.235 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.917 10.369 2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.762 11.686 2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.578 10.802 4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.341 11.282 2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.288 9.721 3.231 1.00 0.00 H new ATOM 110 N CYS A 9 3.559 6.662 1.946 1.00 0.00 N ATOM 111 CA CYS A 9 3.806 5.234 2.093 1.00 0.00 C ATOM 112 C CYS A 9 3.340 4.775 3.462 1.00 0.00 C ATOM 113 O CYS A 9 3.701 5.365 4.485 1.00 0.00 O ATOM 114 CB CYS A 9 5.294 4.933 1.888 1.00 0.00 C ATOM 115 SG CYS A 9 5.581 3.138 1.909 1.00 0.00 S ATOM 0 H CYS A 9 3.780 7.201 2.784 1.00 0.00 H new ATOM 0 HA CYS A 9 3.245 4.688 1.335 1.00 0.00 H new ATOM 0 HB2 CYS A 9 5.630 5.351 0.939 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.881 5.412 2.672 1.00 0.00 H new ATOM 0 HG CYS A 9 5.709 2.705 0.690 1.00 0.00 H new ATOM 121 N LEU A 10 2.545 3.713 3.473 1.00 0.00 N ATOM 122 CA LEU A 10 1.722 3.278 4.571 1.00 0.00 C ATOM 123 C LEU A 10 2.072 1.824 4.867 1.00 0.00 C ATOM 124 O LEU A 10 1.865 0.941 4.031 1.00 0.00 O ATOM 125 CB LEU A 10 0.239 3.424 4.205 1.00 0.00 C ATOM 126 CG LEU A 10 -0.210 4.693 3.464 1.00 0.00 C ATOM 127 CD1 LEU A 10 0.169 5.992 4.182 1.00 0.00 C ATOM 128 CD2 LEU A 10 0.133 4.708 1.973 1.00 0.00 C ATOM 0 H LEU A 10 2.459 3.102 2.661 1.00 0.00 H new ATOM 0 HA LEU A 10 1.903 3.888 5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.037 2.566 3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.339 3.356 5.127 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.299 4.647 3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.180 6.845 3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.295 6.011 5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.252 6.046 4.289 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.219 5.639 1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.213 4.632 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.350 3.864 1.480 1.00 0.00 H new ATOM 140 N MET A 11 2.627 1.560 6.046 1.00 0.00 N ATOM 141 CA MET A 11 2.875 0.190 6.491 1.00 0.00 C ATOM 142 C MET A 11 1.626 -0.329 7.202 1.00 0.00 C ATOM 143 O MET A 11 0.826 0.468 7.702 1.00 0.00 O ATOM 144 CB MET A 11 4.058 0.158 7.465 1.00 0.00 C ATOM 145 CG MET A 11 5.402 0.534 6.832 1.00 0.00 C ATOM 146 SD MET A 11 6.560 1.254 8.029 1.00 0.00 S ATOM 147 CE MET A 11 5.899 2.946 8.112 1.00 0.00 C ATOM 0 H MET A 11 2.914 2.277 6.712 1.00 0.00 H new ATOM 0 HA MET A 11 3.108 -0.435 5.629 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.854 0.841 8.290 1.00 0.00 H new ATOM 0 HB3 MET A 11 4.137 -0.842 7.891 1.00 0.00 H new ATOM 0 HG2 MET A 11 5.851 -0.354 6.387 1.00 0.00 H new ATOM 0 HG3 MET A 11 5.232 1.245 6.023 1.00 0.00 H new ATOM 0 HE1 MET A 11 6.134 3.381 9.083 1.00 0.00 H new ATOM 0 HE2 MET A 11 6.349 3.551 7.325 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.818 2.921 7.978 1.00 0.00 H new ATOM 157 N ASN A 12 1.526 -1.655 7.357 1.00 0.00 N ATOM 158 CA ASN A 12 0.577 -2.365 8.227 1.00 0.00 C ATOM 159 C ASN A 12 -0.849 -2.394 7.660 1.00 0.00 C ATOM 160 O ASN A 12 -1.806 -2.509 8.426 1.00 0.00 O ATOM 161 CB ASN A 12 0.531 -1.801 9.669 1.00 0.00 C ATOM 162 CG ASN A 12 1.848 -1.603 10.404 1.00 0.00 C ATOM 163 OD1 ASN A 12 2.909 -2.056 9.980 1.00 0.00 O ATOM 164 ND2 ASN A 12 1.819 -0.980 11.568 1.00 0.00 N ATOM 0 H ASN A 12 2.137 -2.297 6.852 1.00 0.00 H new ATOM 0 HA ASN A 12 0.962 -3.384 8.264 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.021 -0.838 9.634 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.088 -2.469 10.268 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.675 -0.876 12.112 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.940 -0.603 11.923 1.00 0.00 H new ATOM 171 N MET A 13 -1.031 -2.260 6.343 1.00 0.00 N ATOM 172 CA MET A 13 -2.350 -2.435 5.726 1.00 0.00 C ATOM 173 C MET A 13 -2.624 -3.939 5.627 1.00 0.00 C ATOM 174 O MET A 13 -3.232 -4.515 6.529 1.00 0.00 O ATOM 175 CB MET A 13 -2.440 -1.676 4.379 1.00 0.00 C ATOM 176 CG MET A 13 -3.360 -0.456 4.385 1.00 0.00 C ATOM 177 SD MET A 13 -2.515 1.148 4.410 1.00 0.00 S ATOM 178 CE MET A 13 -1.416 0.870 5.800 1.00 0.00 C ATOM 0 H MET A 13 -0.285 -2.032 5.686 1.00 0.00 H new ATOM 0 HA MET A 13 -3.137 -1.992 6.336 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.438 -1.355 4.092 1.00 0.00 H new ATOM 0 HB3 MET A 13 -2.785 -2.369 3.611 1.00 0.00 H new ATOM 0 HG2 MET A 13 -3.999 -0.498 3.503 1.00 0.00 H new ATOM 0 HG3 MET A 13 -4.014 -0.518 5.255 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.219 1.817 6.303 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.883 0.177 6.500 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.477 0.447 5.443 1.00 0.00 H new ATOM 188 N VAL A 14 -2.091 -4.553 4.578 1.00 0.00 N ATOM 189 CA VAL A 14 -2.333 -5.913 4.126 1.00 0.00 C ATOM 190 C VAL A 14 -1.362 -6.854 4.834 1.00 0.00 C ATOM 191 O VAL A 14 -0.288 -6.429 5.288 1.00 0.00 O ATOM 192 CB VAL A 14 -2.117 -5.948 2.589 1.00 0.00 C ATOM 193 CG1 VAL A 14 -3.063 -4.980 1.847 1.00 0.00 C ATOM 194 CG2 VAL A 14 -0.653 -5.620 2.223 1.00 0.00 C ATOM 0 H VAL A 14 -1.425 -4.072 3.974 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.349 -6.233 4.358 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.348 -6.964 2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.876 -5.039 0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.098 -5.255 2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.884 -3.961 2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.533 -5.652 1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.402 -4.624 2.587 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.010 -6.352 2.684 1.00 0.00 H new ATOM 204 N LEU A 15 -1.680 -8.141 4.876 1.00 0.00 N ATOM 205 CA LEU A 15 -0.700 -9.198 5.031 1.00 0.00 C ATOM 206 C LEU A 15 -0.102 -9.545 3.660 1.00 0.00 C ATOM 207 O LEU A 15 -0.664 -9.198 2.622 1.00 0.00 O ATOM 208 CB LEU A 15 -1.380 -10.431 5.644 1.00 0.00 C ATOM 209 CG LEU A 15 -1.790 -10.334 7.125 1.00 0.00 C ATOM 210 CD1 LEU A 15 -0.713 -9.667 7.987 1.00 0.00 C ATOM 211 CD2 LEU A 15 -3.124 -9.630 7.343 1.00 0.00 C ATOM 0 H LEU A 15 -2.639 -8.480 4.802 1.00 0.00 H new ATOM 0 HA LEU A 15 0.102 -8.868 5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.272 -10.653 5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.706 -11.281 5.533 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.907 -11.370 7.443 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.051 -9.623 9.022 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.209 -10.246 7.931 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.529 -8.656 7.622 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.349 -9.598 8.409 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.067 -8.613 6.954 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.912 -10.174 6.822 1.00 0.00 H new ATOM 223 N PRO A 16 1.021 -10.275 3.606 1.00 0.00 N ATOM 224 CA PRO A 16 1.519 -10.818 2.349 1.00 0.00 C ATOM 225 C PRO A 16 0.685 -12.001 1.834 1.00 0.00 C ATOM 226 O PRO A 16 0.808 -12.363 0.664 1.00 0.00 O ATOM 227 CB PRO A 16 2.945 -11.262 2.671 1.00 0.00 C ATOM 228 CG PRO A 16 2.890 -11.626 4.150 1.00 0.00 C ATOM 229 CD PRO A 16 1.930 -10.581 4.702 1.00 0.00 C ATOM 0 HA PRO A 16 1.466 -10.076 1.552 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.246 -12.114 2.061 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.664 -10.465 2.482 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.522 -12.640 4.306 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.871 -11.567 4.621 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.388 -10.963 5.567 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.465 -9.690 5.029 1.00 0.00 H new ATOM 237 N GLU A 17 -0.126 -12.637 2.682 1.00 0.00 N ATOM 238 CA GLU A 17 -0.746 -13.933 2.424 1.00 0.00 C ATOM 239 C GLU A 17 -2.157 -13.776 1.886 1.00 0.00 C ATOM 240 O GLU A 17 -2.768 -14.764 1.492 1.00 0.00 O ATOM 241 CB GLU A 17 -0.727 -14.790 3.699 1.00 0.00 C ATOM 242 CG GLU A 17 -1.466 -14.161 4.887 1.00 0.00 C ATOM 243 CD GLU A 17 -1.361 -14.949 6.196 1.00 0.00 C ATOM 244 OE1 GLU A 17 -0.259 -15.445 6.527 1.00 0.00 O ATOM 245 OE2 GLU A 17 -2.349 -14.969 6.974 1.00 0.00 O ATOM 0 H GLU A 17 -0.375 -12.251 3.593 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.166 -14.444 1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.174 -15.760 3.479 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.309 -14.974 3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.074 -13.157 5.051 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.519 -14.054 4.627 1.00 0.00 H new ATOM 252 N GLU A 18 -2.680 -12.550 1.862 1.00 0.00 N ATOM 253 CA GLU A 18 -3.994 -12.296 1.303 1.00 0.00 C ATOM 254 C GLU A 18 -3.921 -12.068 -0.203 1.00 0.00 C ATOM 255 O GLU A 18 -4.764 -12.595 -0.920 1.00 0.00 O ATOM 256 CB GLU A 18 -4.712 -11.164 2.042 1.00 0.00 C ATOM 257 CG GLU A 18 -3.961 -9.821 2.080 1.00 0.00 C ATOM 258 CD GLU A 18 -4.506 -8.830 3.133 1.00 0.00 C ATOM 259 OE1 GLU A 18 -4.290 -9.086 4.333 1.00 0.00 O ATOM 260 OE2 GLU A 18 -4.993 -7.747 2.762 1.00 0.00 O ATOM 0 H GLU A 18 -2.208 -11.722 2.225 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.601 -13.189 1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.683 -11.005 1.573 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.901 -11.484 3.067 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.907 -10.011 2.285 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.016 -9.357 1.095 1.00 0.00 H new ATOM 267 N LEU A 19 -2.880 -11.363 -0.668 1.00 0.00 N ATOM 268 CA LEU A 19 -2.809 -10.587 -1.917 1.00 0.00 C ATOM 269 C LEU A 19 -2.742 -11.421 -3.211 1.00 0.00 C ATOM 270 O LEU A 19 -1.845 -11.259 -4.043 1.00 0.00 O ATOM 271 CB LEU A 19 -1.583 -9.655 -1.853 1.00 0.00 C ATOM 272 CG LEU A 19 -1.627 -8.502 -0.848 1.00 0.00 C ATOM 273 CD1 LEU A 19 -0.252 -7.820 -0.868 1.00 0.00 C ATOM 274 CD2 LEU A 19 -2.713 -7.493 -1.228 1.00 0.00 C ATOM 0 H LEU A 19 -2.005 -11.316 -0.147 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.748 -10.036 -1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.708 -10.265 -1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.430 -9.231 -2.845 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.860 -8.881 0.147 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.247 -6.990 -0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.516 -8.541 -0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.047 -7.444 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.727 -6.682 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.503 -7.089 -2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.684 -7.989 -1.237 1.00 0.00 H new ATOM 286 N LEU A 20 -3.622 -12.391 -3.374 1.00 0.00 N ATOM 287 CA LEU A 20 -3.561 -13.421 -4.388 1.00 0.00 C ATOM 288 C LEU A 20 -4.904 -13.548 -5.094 1.00 0.00 C ATOM 289 O LEU A 20 -4.969 -14.175 -6.150 1.00 0.00 O ATOM 290 CB LEU A 20 -3.157 -14.729 -3.702 1.00 0.00 C ATOM 291 CG LEU A 20 -1.839 -14.598 -2.899 1.00 0.00 C ATOM 292 CD1 LEU A 20 -2.036 -14.959 -1.429 1.00 0.00 C ATOM 293 CD2 LEU A 20 -0.734 -15.397 -3.560 1.00 0.00 C ATOM 0 H LEU A 20 -4.439 -12.484 -2.771 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.825 -13.170 -5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.956 -15.046 -3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.044 -15.510 -4.454 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.530 -13.553 -2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.089 -14.855 -0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.775 -14.291 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.384 -15.989 -1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.185 -15.294 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.020 -16.448 -3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.571 -15.025 -4.571 1.00 0.00 H new ATOM 305 N ASP A 21 -5.962 -12.922 -4.569 1.00 0.00 N ATOM 306 CA ASP A 21 -7.328 -13.183 -4.992 1.00 0.00 C ATOM 307 C ASP A 21 -7.991 -11.889 -5.445 1.00 0.00 C ATOM 308 O ASP A 21 -8.181 -10.947 -4.672 1.00 0.00 O ATOM 309 CB ASP A 21 -8.108 -13.943 -3.911 1.00 0.00 C ATOM 310 CG ASP A 21 -8.680 -15.207 -4.539 1.00 0.00 C ATOM 311 OD1 ASP A 21 -9.698 -15.109 -5.248 1.00 0.00 O ATOM 312 OD2 ASP A 21 -8.048 -16.288 -4.422 1.00 0.00 O ATOM 0 H ASP A 21 -5.887 -12.218 -3.835 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.323 -13.845 -5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.454 -14.195 -3.076 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.909 -13.321 -3.511 1.00 0.00 H new ATOM 317 N ASP A 22 -8.264 -11.842 -6.746 1.00 0.00 N ATOM 318 CA ASP A 22 -8.631 -10.700 -7.582 1.00 0.00 C ATOM 319 C ASP A 22 -9.924 -10.025 -7.141 1.00 0.00 C ATOM 320 O ASP A 22 -10.241 -8.945 -7.634 1.00 0.00 O ATOM 321 CB ASP A 22 -8.865 -11.171 -9.036 1.00 0.00 C ATOM 322 CG ASP A 22 -7.690 -11.881 -9.700 1.00 0.00 C ATOM 323 OD1 ASP A 22 -7.214 -12.903 -9.154 1.00 0.00 O ATOM 324 OD2 ASP A 22 -7.270 -11.463 -10.807 1.00 0.00 O ATOM 0 H ASP A 22 -8.230 -12.697 -7.302 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.807 -9.992 -7.495 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.724 -11.842 -9.047 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.130 -10.304 -9.641 1.00 0.00 H new ATOM 329 N GLU A 23 -10.721 -10.696 -6.314 1.00 0.00 N ATOM 330 CA GLU A 23 -12.010 -10.234 -5.825 1.00 0.00 C ATOM 331 C GLU A 23 -11.825 -9.294 -4.633 1.00 0.00 C ATOM 332 O GLU A 23 -12.319 -8.168 -4.670 1.00 0.00 O ATOM 333 CB GLU A 23 -12.944 -11.433 -5.596 1.00 0.00 C ATOM 334 CG GLU A 23 -12.386 -12.402 -4.557 1.00 0.00 C ATOM 335 CD GLU A 23 -13.193 -13.688 -4.389 1.00 0.00 C ATOM 336 OE1 GLU A 23 -13.483 -14.372 -5.406 1.00 0.00 O ATOM 337 OE2 GLU A 23 -13.467 -14.065 -3.227 1.00 0.00 O ATOM 0 H GLU A 23 -10.472 -11.617 -5.952 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.515 -9.623 -6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -13.921 -11.075 -5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.096 -11.960 -6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.365 -12.663 -4.834 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.335 -11.892 -3.595 1.00 0.00 H new ATOM 344 N GLU A 24 -11.064 -9.739 -3.633 1.00 0.00 N ATOM 345 CA GLU A 24 -10.779 -9.073 -2.374 1.00 0.00 C ATOM 346 C GLU A 24 -9.894 -7.862 -2.653 1.00 0.00 C ATOM 347 O GLU A 24 -10.125 -6.776 -2.121 1.00 0.00 O ATOM 348 CB GLU A 24 -10.081 -10.127 -1.487 1.00 0.00 C ATOM 349 CG GLU A 24 -9.260 -9.580 -0.310 1.00 0.00 C ATOM 350 CD GLU A 24 -8.528 -10.700 0.442 1.00 0.00 C ATOM 351 OE1 GLU A 24 -7.814 -11.474 -0.239 1.00 0.00 O ATOM 352 OE2 GLU A 24 -8.680 -10.832 1.680 1.00 0.00 O ATOM 0 H GLU A 24 -10.598 -10.644 -3.693 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.670 -8.703 -1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.841 -10.801 -1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.422 -10.724 -2.117 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.534 -8.855 -0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.919 -9.050 0.378 1.00 0.00 H new ATOM 359 N TYR A 25 -8.879 -8.050 -3.504 1.00 0.00 N ATOM 360 CA TYR A 25 -7.871 -7.036 -3.761 1.00 0.00 C ATOM 361 C TYR A 25 -8.491 -5.737 -4.287 1.00 0.00 C ATOM 362 O TYR A 25 -7.976 -4.658 -3.994 1.00 0.00 O ATOM 363 CB TYR A 25 -6.864 -7.632 -4.753 1.00 0.00 C ATOM 364 CG TYR A 25 -5.858 -6.649 -5.312 1.00 0.00 C ATOM 365 CD1 TYR A 25 -4.649 -6.405 -4.636 1.00 0.00 C ATOM 366 CD2 TYR A 25 -6.139 -5.985 -6.519 1.00 0.00 C ATOM 367 CE1 TYR A 25 -3.708 -5.513 -5.179 1.00 0.00 C ATOM 368 CE2 TYR A 25 -5.201 -5.103 -7.075 1.00 0.00 C ATOM 369 CZ TYR A 25 -3.969 -4.880 -6.416 1.00 0.00 C ATOM 370 OH TYR A 25 -3.006 -4.117 -7.004 1.00 0.00 O ATOM 0 H TYR A 25 -8.740 -8.913 -4.030 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.367 -6.764 -2.834 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.324 -8.439 -4.258 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.414 -8.077 -5.582 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.444 -6.903 -3.700 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.081 -6.155 -7.020 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -2.787 -5.312 -4.652 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -5.418 -4.596 -8.003 1.00 0.00 H new ATOM 0 HH TYR A 25 -3.346 -3.755 -7.849 1.00 0.00 H new ATOM 380 N GLU A 26 -9.573 -5.835 -5.061 1.00 0.00 N ATOM 381 CA GLU A 26 -10.195 -4.716 -5.747 1.00 0.00 C ATOM 382 C GLU A 26 -11.014 -3.857 -4.791 1.00 0.00 C ATOM 383 O GLU A 26 -10.964 -2.630 -4.887 1.00 0.00 O ATOM 384 CB GLU A 26 -11.050 -5.262 -6.909 1.00 0.00 C ATOM 385 CG GLU A 26 -10.450 -4.802 -8.240 1.00 0.00 C ATOM 386 CD GLU A 26 -11.023 -5.491 -9.483 1.00 0.00 C ATOM 387 OE1 GLU A 26 -12.145 -6.045 -9.487 1.00 0.00 O ATOM 388 OE2 GLU A 26 -10.309 -5.465 -10.514 1.00 0.00 O ATOM 0 H GLU A 26 -10.049 -6.721 -5.228 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.422 -4.062 -6.151 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.084 -6.351 -6.870 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.077 -4.907 -6.818 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.602 -3.727 -8.337 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.374 -4.971 -8.213 1.00 0.00 H new ATOM 395 N GLU A 27 -11.731 -4.488 -3.860 1.00 0.00 N ATOM 396 CA GLU A 27 -12.609 -3.798 -2.919 1.00 0.00 C ATOM 397 C GLU A 27 -11.789 -2.840 -2.064 1.00 0.00 C ATOM 398 O GLU A 27 -12.140 -1.676 -1.894 1.00 0.00 O ATOM 399 CB GLU A 27 -13.331 -4.808 -2.012 1.00 0.00 C ATOM 400 CG GLU A 27 -14.141 -5.842 -2.796 1.00 0.00 C ATOM 401 CD GLU A 27 -14.886 -6.773 -1.840 1.00 0.00 C ATOM 402 OE1 GLU A 27 -14.291 -7.750 -1.332 1.00 0.00 O ATOM 403 OE2 GLU A 27 -16.070 -6.497 -1.530 1.00 0.00 O ATOM 0 H GLU A 27 -11.717 -5.501 -3.738 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.356 -3.240 -3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.596 -5.323 -1.394 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.996 -4.270 -1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.852 -5.337 -3.449 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.478 -6.423 -3.436 1.00 0.00 H new ATOM 410 N ILE A 28 -10.662 -3.339 -1.565 1.00 0.00 N ATOM 411 CA ILE A 28 -9.763 -2.625 -0.679 1.00 0.00 C ATOM 412 C ILE A 28 -9.229 -1.359 -1.374 1.00 0.00 C ATOM 413 O ILE A 28 -9.080 -0.312 -0.741 1.00 0.00 O ATOM 414 CB ILE A 28 -8.655 -3.614 -0.250 1.00 0.00 C ATOM 415 CG1 ILE A 28 -9.217 -4.804 0.569 1.00 0.00 C ATOM 416 CG2 ILE A 28 -7.599 -2.875 0.581 1.00 0.00 C ATOM 417 CD1 ILE A 28 -8.234 -5.978 0.694 1.00 0.00 C ATOM 0 H ILE A 28 -10.343 -4.284 -1.777 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.270 -2.271 0.218 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.208 -4.019 -1.158 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.483 -4.455 1.567 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -10.135 -5.157 0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.819 -3.574 0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.160 -2.076 -0.016 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.067 -2.449 1.468 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.692 -6.775 1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.987 -6.353 -0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.325 -5.640 1.191 1.00 0.00 H new ATOM 429 N VAL A 29 -8.921 -1.422 -2.669 1.00 0.00 N ATOM 430 CA VAL A 29 -8.395 -0.278 -3.411 1.00 0.00 C ATOM 431 C VAL A 29 -9.470 0.807 -3.554 1.00 0.00 C ATOM 432 O VAL A 29 -9.131 1.995 -3.581 1.00 0.00 O ATOM 433 CB VAL A 29 -7.880 -0.790 -4.769 1.00 0.00 C ATOM 434 CG1 VAL A 29 -7.508 0.322 -5.761 1.00 0.00 C ATOM 435 CG2 VAL A 29 -6.626 -1.661 -4.585 1.00 0.00 C ATOM 0 H VAL A 29 -9.029 -2.266 -3.232 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.566 0.188 -2.878 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.716 -1.356 -5.180 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.155 -0.123 -6.691 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.385 0.937 -5.963 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.720 0.942 -5.334 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.280 -2.011 -5.558 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.840 -1.072 -4.111 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.867 -2.518 -3.956 1.00 0.00 H new ATOM 445 N GLU A 30 -10.744 0.422 -3.663 1.00 0.00 N ATOM 446 CA GLU A 30 -11.851 1.359 -3.812 1.00 0.00 C ATOM 447 C GLU A 30 -12.231 1.972 -2.469 1.00 0.00 C ATOM 448 O GLU A 30 -12.455 3.184 -2.378 1.00 0.00 O ATOM 449 CB GLU A 30 -13.066 0.656 -4.428 1.00 0.00 C ATOM 450 CG GLU A 30 -12.847 0.245 -5.888 1.00 0.00 C ATOM 451 CD GLU A 30 -12.947 1.416 -6.865 1.00 0.00 C ATOM 452 OE1 GLU A 30 -14.072 1.704 -7.352 1.00 0.00 O ATOM 453 OE2 GLU A 30 -11.891 1.999 -7.219 1.00 0.00 O ATOM 0 H GLU A 30 -11.034 -0.556 -3.650 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.528 2.159 -4.477 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.303 -0.230 -3.839 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.930 1.318 -4.369 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.865 -0.218 -5.985 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.584 -0.511 -6.160 1.00 0.00 H new ATOM 460 N ASP A 31 -12.270 1.141 -1.430 1.00 0.00 N ATOM 461 CA ASP A 31 -12.715 1.532 -0.093 1.00 0.00 C ATOM 462 C ASP A 31 -11.819 2.627 0.469 1.00 0.00 C ATOM 463 O ASP A 31 -12.264 3.596 1.091 1.00 0.00 O ATOM 464 CB ASP A 31 -12.657 0.326 0.856 1.00 0.00 C ATOM 465 CG ASP A 31 -13.262 0.678 2.216 1.00 0.00 C ATOM 466 OD1 ASP A 31 -14.477 0.966 2.299 1.00 0.00 O ATOM 467 OD2 ASP A 31 -12.518 0.636 3.232 1.00 0.00 O ATOM 0 H ASP A 31 -11.989 0.162 -1.493 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.738 1.899 -0.173 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.197 -0.514 0.418 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.623 0.007 0.984 1.00 0.00 H new ATOM 472 N VAL A 32 -10.527 2.469 0.211 1.00 0.00 N ATOM 473 CA VAL A 32 -9.492 3.283 0.826 1.00 0.00 C ATOM 474 C VAL A 32 -9.251 4.529 -0.036 1.00 0.00 C ATOM 475 O VAL A 32 -8.667 5.523 0.408 1.00 0.00 O ATOM 476 CB VAL A 32 -8.242 2.397 1.005 1.00 0.00 C ATOM 477 CG1 VAL A 32 -7.104 3.181 1.643 1.00 0.00 C ATOM 478 CG2 VAL A 32 -8.499 1.199 1.927 1.00 0.00 C ATOM 0 H VAL A 32 -10.168 1.767 -0.436 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.781 3.648 1.811 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.987 2.055 0.002 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.235 2.533 1.758 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.844 4.027 1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.417 3.545 2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.587 0.608 2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.801 1.556 2.912 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.292 0.580 1.507 1.00 0.00 H new ATOM 488 N ARG A 33 -9.730 4.525 -1.278 1.00 0.00 N ATOM 489 CA ARG A 33 -9.747 5.712 -2.116 1.00 0.00 C ATOM 490 C ARG A 33 -10.809 6.698 -1.646 1.00 0.00 C ATOM 491 O ARG A 33 -10.525 7.901 -1.641 1.00 0.00 O ATOM 492 CB ARG A 33 -9.886 5.281 -3.577 1.00 0.00 C ATOM 493 CG ARG A 33 -10.107 6.447 -4.553 1.00 0.00 C ATOM 494 CD ARG A 33 -9.542 6.044 -5.910 1.00 0.00 C ATOM 495 NE ARG A 33 -9.454 7.153 -6.866 1.00 0.00 N ATOM 496 CZ ARG A 33 -8.530 7.244 -7.834 1.00 0.00 C ATOM 497 NH1 ARG A 33 -7.599 6.304 -8.006 1.00 0.00 N ATOM 498 NH2 ARG A 33 -8.539 8.282 -8.655 1.00 0.00 N ATOM 0 H ARG A 33 -10.117 3.695 -1.728 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.808 6.258 -2.031 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.988 4.738 -3.872 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.721 4.586 -3.662 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.169 6.677 -4.636 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.613 7.348 -4.188 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.548 5.619 -5.768 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.167 5.259 -6.335 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.140 7.904 -6.790 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.577 5.489 -7.393 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.909 6.400 -8.751 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.247 9.009 -8.550 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.838 8.355 -9.392 1.00 0.00 H new ATOM 512 N ASP A 34 -11.980 6.227 -1.205 1.00 0.00 N ATOM 513 CA ASP A 34 -12.999 7.101 -0.618 1.00 0.00 C ATOM 514 C ASP A 34 -12.447 7.769 0.636 1.00 0.00 C ATOM 515 O ASP A 34 -12.476 8.997 0.763 1.00 0.00 O ATOM 516 CB ASP A 34 -14.295 6.349 -0.274 1.00 0.00 C ATOM 517 CG ASP A 34 -15.251 7.252 0.520 1.00 0.00 C ATOM 518 OD1 ASP A 34 -15.428 8.439 0.181 1.00 0.00 O ATOM 519 OD2 ASP A 34 -15.851 6.821 1.531 1.00 0.00 O ATOM 0 H ASP A 34 -12.245 5.243 -1.244 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.248 7.852 -1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.781 6.013 -1.190 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.061 5.458 0.308 1.00 0.00 H new ATOM 524 N GLU A 35 -11.913 6.976 1.567 1.00 0.00 N ATOM 525 CA GLU A 35 -11.493 7.492 2.870 1.00 0.00 C ATOM 526 C GLU A 35 -10.330 8.475 2.787 1.00 0.00 C ATOM 527 O GLU A 35 -10.126 9.292 3.686 1.00 0.00 O ATOM 528 CB GLU A 35 -11.201 6.333 3.814 1.00 0.00 C ATOM 529 CG GLU A 35 -9.815 5.695 3.792 1.00 0.00 C ATOM 530 CD GLU A 35 -9.864 4.529 4.788 1.00 0.00 C ATOM 531 OE1 GLU A 35 -9.939 4.815 6.005 1.00 0.00 O ATOM 532 OE2 GLU A 35 -9.994 3.359 4.354 1.00 0.00 O ATOM 0 H GLU A 35 -11.762 5.975 1.442 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.321 8.074 3.274 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.388 6.681 4.830 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.928 5.548 3.607 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.565 5.342 2.792 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.050 6.417 4.076 1.00 0.00 H new ATOM 539 N CYS A 36 -9.592 8.403 1.687 1.00 0.00 N ATOM 540 CA CYS A 36 -8.485 9.265 1.355 1.00 0.00 C ATOM 541 C CYS A 36 -8.989 10.572 0.717 1.00 0.00 C ATOM 542 O CYS A 36 -8.439 11.644 0.990 1.00 0.00 O ATOM 543 CB CYS A 36 -7.576 8.451 0.435 1.00 0.00 C ATOM 544 SG CYS A 36 -6.057 9.328 0.021 1.00 0.00 S ATOM 0 H CYS A 36 -9.766 7.700 0.969 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.925 9.580 2.235 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.327 7.506 0.918 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -8.114 8.209 -0.481 1.00 0.00 H new ATOM 0 HG CYS A 36 -6.206 10.595 0.269 1.00 0.00 H new ATOM 550 N SER A 37 -10.078 10.505 -0.057 1.00 0.00 N ATOM 551 CA SER A 37 -10.717 11.622 -0.751 1.00 0.00 C ATOM 552 C SER A 37 -11.154 12.749 0.198 1.00 0.00 C ATOM 553 O SER A 37 -11.351 13.892 -0.227 1.00 0.00 O ATOM 554 CB SER A 37 -11.917 11.071 -1.539 1.00 0.00 C ATOM 555 OG SER A 37 -11.983 11.632 -2.835 1.00 0.00 O ATOM 0 H SER A 37 -10.561 9.622 -0.223 1.00 0.00 H new ATOM 0 HA SER A 37 -9.988 12.074 -1.424 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.838 9.986 -1.614 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.839 11.287 -1.000 1.00 0.00 H new ATOM 0 HG SER A 37 -12.754 11.262 -3.313 1.00 0.00 H new ATOM 561 N LYS A 38 -11.256 12.463 1.498 1.00 0.00 N ATOM 562 CA LYS A 38 -11.537 13.453 2.528 1.00 0.00 C ATOM 563 C LYS A 38 -10.485 14.548 2.589 1.00 0.00 C ATOM 564 O LYS A 38 -10.839 15.688 2.879 1.00 0.00 O ATOM 565 CB LYS A 38 -11.618 12.744 3.878 1.00 0.00 C ATOM 566 CG LYS A 38 -12.961 12.035 4.007 1.00 0.00 C ATOM 567 CD LYS A 38 -12.949 11.108 5.218 1.00 0.00 C ATOM 568 CE LYS A 38 -14.393 10.794 5.581 1.00 0.00 C ATOM 569 NZ LYS A 38 -14.479 9.983 6.805 1.00 0.00 N ATOM 0 H LYS A 38 -11.143 11.518 1.866 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.483 13.935 2.281 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.805 12.023 3.970 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.498 13.465 4.686 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.760 12.769 4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.167 11.462 3.103 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.405 10.191 4.991 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.439 11.582 6.057 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.944 11.724 5.720 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.869 10.262 4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.477 9.788 7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.974 9.085 6.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.047 10.502 7.596 1.00 0.00 H new ATOM 583 N TYR A 39 -9.222 14.250 2.297 1.00 0.00 N ATOM 584 CA TYR A 39 -8.119 15.165 2.582 1.00 0.00 C ATOM 585 C TYR A 39 -7.570 15.833 1.323 1.00 0.00 C ATOM 586 O TYR A 39 -6.740 16.734 1.437 1.00 0.00 O ATOM 587 CB TYR A 39 -7.013 14.405 3.322 1.00 0.00 C ATOM 588 CG TYR A 39 -7.491 13.726 4.591 1.00 0.00 C ATOM 589 CD1 TYR A 39 -8.106 12.459 4.528 1.00 0.00 C ATOM 590 CD2 TYR A 39 -7.377 14.386 5.830 1.00 0.00 C ATOM 591 CE1 TYR A 39 -8.658 11.872 5.674 1.00 0.00 C ATOM 592 CE2 TYR A 39 -7.911 13.789 6.985 1.00 0.00 C ATOM 593 CZ TYR A 39 -8.572 12.544 6.906 1.00 0.00 C ATOM 594 OH TYR A 39 -9.140 11.998 8.010 1.00 0.00 O ATOM 0 H TYR A 39 -8.935 13.375 1.859 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.502 15.968 3.211 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -6.590 13.654 2.655 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.210 15.099 3.571 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.152 11.935 3.585 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.883 15.344 5.892 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -9.146 10.911 5.612 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.815 14.286 7.939 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.455 11.864 8.698 1.00 0.00 H new ATOM 604 N GLY A 40 -8.015 15.412 0.142 1.00 0.00 N ATOM 605 CA GLY A 40 -7.416 15.761 -1.130 1.00 0.00 C ATOM 606 C GLY A 40 -8.019 14.868 -2.189 1.00 0.00 C ATOM 607 O GLY A 40 -9.240 14.679 -2.225 1.00 0.00 O ATOM 0 H GLY A 40 -8.826 14.801 0.048 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.602 16.809 -1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.335 15.630 -1.091 1.00 0.00 H new ATOM 611 N LEU A 41 -7.177 14.318 -3.051 1.00 0.00 N ATOM 612 CA LEU A 41 -7.571 13.406 -4.099 1.00 0.00 C ATOM 613 C LEU A 41 -6.408 12.469 -4.353 1.00 0.00 C ATOM 614 O LEU A 41 -5.344 12.882 -4.817 1.00 0.00 O ATOM 615 CB LEU A 41 -7.949 14.232 -5.334 1.00 0.00 C ATOM 616 CG LEU A 41 -8.519 13.460 -6.541 1.00 0.00 C ATOM 617 CD1 LEU A 41 -7.501 12.860 -7.511 1.00 0.00 C ATOM 618 CD2 LEU A 41 -9.481 12.362 -6.091 1.00 0.00 C ATOM 0 H LEU A 41 -6.174 14.503 -3.035 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.438 12.803 -3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.683 14.979 -5.031 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.062 14.773 -5.665 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.035 14.237 -7.105 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.025 12.344 -8.315 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.886 13.656 -7.931 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.865 12.152 -6.979 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.866 11.835 -6.964 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.954 11.658 -5.446 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.310 12.807 -5.541 1.00 0.00 H new ATOM 630 N VAL A 42 -6.615 11.203 -4.016 1.00 0.00 N ATOM 631 CA VAL A 42 -5.670 10.165 -4.367 1.00 0.00 C ATOM 632 C VAL A 42 -5.726 9.923 -5.875 1.00 0.00 C ATOM 633 O VAL A 42 -6.765 9.613 -6.461 1.00 0.00 O ATOM 634 CB VAL A 42 -5.805 8.936 -3.454 1.00 0.00 C ATOM 635 CG1 VAL A 42 -7.225 8.460 -3.158 1.00 0.00 C ATOM 636 CG2 VAL A 42 -5.044 7.729 -3.988 1.00 0.00 C ATOM 0 H VAL A 42 -7.431 10.875 -3.500 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.646 10.482 -4.169 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.380 9.313 -2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.188 7.588 -2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.781 9.258 -2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.721 8.193 -4.091 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.172 6.888 -3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.430 7.461 -4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.985 7.973 -4.068 1.00 0.00 H new ATOM 646 N LYS A 43 -4.575 10.121 -6.505 1.00 0.00 N ATOM 647 CA LYS A 43 -4.255 9.772 -7.872 1.00 0.00 C ATOM 648 C LYS A 43 -4.388 8.260 -8.020 1.00 0.00 C ATOM 649 O LYS A 43 -5.231 7.819 -8.796 1.00 0.00 O ATOM 650 CB LYS A 43 -2.842 10.296 -8.178 1.00 0.00 C ATOM 651 CG LYS A 43 -2.474 10.319 -9.663 1.00 0.00 C ATOM 652 CD LYS A 43 -3.367 11.261 -10.489 1.00 0.00 C ATOM 653 CE LYS A 43 -4.312 10.404 -11.341 1.00 0.00 C ATOM 654 NZ LYS A 43 -5.148 11.184 -12.273 1.00 0.00 N ATOM 0 H LYS A 43 -3.786 10.563 -6.033 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.934 10.227 -8.593 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.750 11.306 -7.780 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.118 9.677 -7.648 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.434 10.627 -9.769 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.550 9.309 -10.066 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.938 11.917 -9.831 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.757 11.901 -11.126 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.722 9.687 -11.911 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.961 9.829 -10.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.759 10.539 -12.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.738 11.851 -11.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.537 11.713 -12.928 1.00 0.00 H new ATOM 668 N SER A 44 -3.613 7.470 -7.272 1.00 0.00 N ATOM 669 CA SER A 44 -3.803 6.022 -7.202 1.00 0.00 C ATOM 670 C SER A 44 -3.137 5.442 -5.946 1.00 0.00 C ATOM 671 O SER A 44 -2.604 6.178 -5.116 1.00 0.00 O ATOM 672 CB SER A 44 -3.305 5.348 -8.493 1.00 0.00 C ATOM 673 OG SER A 44 -3.912 4.071 -8.646 1.00 0.00 O ATOM 0 H SER A 44 -2.841 7.815 -6.702 1.00 0.00 H new ATOM 0 HA SER A 44 -4.869 5.812 -7.120 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.539 5.975 -9.353 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.221 5.242 -8.462 1.00 0.00 H new ATOM 0 HG SER A 44 -3.589 3.652 -9.471 1.00 0.00 H new ATOM 679 N ILE A 45 -3.223 4.117 -5.788 1.00 0.00 N ATOM 680 CA ILE A 45 -2.746 3.345 -4.646 1.00 0.00 C ATOM 681 C ILE A 45 -1.922 2.194 -5.211 1.00 0.00 C ATOM 682 O ILE A 45 -2.339 1.518 -6.159 1.00 0.00 O ATOM 683 CB ILE A 45 -3.929 2.829 -3.789 1.00 0.00 C ATOM 684 CG1 ILE A 45 -4.736 3.993 -3.185 1.00 0.00 C ATOM 685 CG2 ILE A 45 -3.436 1.933 -2.639 1.00 0.00 C ATOM 686 CD1 ILE A 45 -6.150 3.602 -2.738 1.00 0.00 C ATOM 0 H ILE A 45 -3.653 3.524 -6.498 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.139 3.962 -3.983 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.567 2.251 -4.457 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.193 4.393 -2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.807 4.794 -3.921 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.289 1.587 -2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.904 1.074 -3.049 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.765 2.502 -1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.655 4.475 -2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.712 3.230 -3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.089 2.823 -1.978 1.00 0.00 H new ATOM 698 N GLU A 46 -0.778 1.934 -4.590 1.00 0.00 N ATOM 699 CA GLU A 46 0.196 0.943 -5.021 1.00 0.00 C ATOM 700 C GLU A 46 0.269 -0.202 -4.006 1.00 0.00 C ATOM 701 O GLU A 46 0.545 0.025 -2.828 1.00 0.00 O ATOM 702 CB GLU A 46 1.576 1.587 -5.268 1.00 0.00 C ATOM 703 CG GLU A 46 2.211 1.231 -6.621 1.00 0.00 C ATOM 704 CD GLU A 46 2.051 -0.247 -6.998 1.00 0.00 C ATOM 705 OE1 GLU A 46 0.991 -0.609 -7.563 1.00 0.00 O ATOM 706 OE2 GLU A 46 2.937 -1.082 -6.723 1.00 0.00 O ATOM 0 H GLU A 46 -0.494 2.426 -3.743 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.129 0.524 -5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.475 2.670 -5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.254 1.281 -4.471 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.761 1.848 -7.399 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.272 1.478 -6.592 1.00 0.00 H new ATOM 713 N ILE A 47 -0.035 -1.428 -4.447 1.00 0.00 N ATOM 714 CA ILE A 47 -0.129 -2.644 -3.645 1.00 0.00 C ATOM 715 C ILE A 47 0.564 -3.762 -4.451 1.00 0.00 C ATOM 716 O ILE A 47 -0.064 -4.412 -5.292 1.00 0.00 O ATOM 717 CB ILE A 47 -1.594 -2.974 -3.254 1.00 0.00 C ATOM 718 CG1 ILE A 47 -2.328 -1.725 -2.719 1.00 0.00 C ATOM 719 CG2 ILE A 47 -1.597 -4.121 -2.224 1.00 0.00 C ATOM 720 CD1 ILE A 47 -3.712 -1.974 -2.120 1.00 0.00 C ATOM 0 H ILE A 47 -0.233 -1.604 -5.432 1.00 0.00 H new ATOM 0 HA ILE A 47 0.374 -2.522 -2.686 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.138 -3.297 -4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.703 -1.257 -1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.429 -1.009 -3.534 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.624 -4.357 -1.945 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.127 -5.003 -2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.042 -3.815 -1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.135 -1.030 -1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.364 -2.409 -2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.626 -2.661 -1.278 1.00 0.00 H new ATOM 732 N PRO A 48 1.894 -3.916 -4.329 1.00 0.00 N ATOM 733 CA PRO A 48 2.662 -4.911 -5.071 1.00 0.00 C ATOM 734 C PRO A 48 2.382 -6.310 -4.505 1.00 0.00 C ATOM 735 O PRO A 48 2.685 -6.590 -3.340 1.00 0.00 O ATOM 736 CB PRO A 48 4.126 -4.480 -4.929 1.00 0.00 C ATOM 737 CG PRO A 48 4.161 -3.751 -3.586 1.00 0.00 C ATOM 738 CD PRO A 48 2.779 -3.104 -3.507 1.00 0.00 C ATOM 0 HA PRO A 48 2.394 -4.967 -6.126 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.798 -5.338 -4.936 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.432 -3.828 -5.747 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.332 -4.439 -2.758 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.957 -3.007 -3.552 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.426 -3.068 -2.476 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.811 -2.076 -3.869 1.00 0.00 H new ATOM 746 N ARG A 49 1.763 -7.179 -5.309 1.00 0.00 N ATOM 747 CA ARG A 49 1.396 -8.544 -4.919 1.00 0.00 C ATOM 748 C ARG A 49 2.628 -9.461 -4.831 1.00 0.00 C ATOM 749 O ARG A 49 3.662 -9.127 -5.428 1.00 0.00 O ATOM 750 CB ARG A 49 0.374 -9.090 -5.936 1.00 0.00 C ATOM 751 CG ARG A 49 -1.052 -8.550 -5.713 1.00 0.00 C ATOM 752 CD ARG A 49 -1.574 -7.628 -6.813 1.00 0.00 C ATOM 753 NE ARG A 49 -1.784 -8.338 -8.078 1.00 0.00 N ATOM 754 CZ ARG A 49 -2.221 -7.802 -9.217 1.00 0.00 C ATOM 755 NH1 ARG A 49 -2.495 -6.499 -9.276 1.00 0.00 N ATOM 756 NH2 ARG A 49 -2.344 -8.590 -10.276 1.00 0.00 N ATOM 0 H ARG A 49 1.498 -6.950 -6.267 1.00 0.00 H new ATOM 0 HA ARG A 49 0.951 -8.522 -3.924 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.700 -8.832 -6.943 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.357 -10.178 -5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.733 -9.395 -5.615 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.076 -8.010 -4.766 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.513 -7.177 -6.491 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.866 -6.814 -6.969 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.576 -9.337 -8.087 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.370 -5.914 -8.450 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.830 -6.087 -10.147 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.106 -9.579 -10.206 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.676 -8.207 -11.161 1.00 0.00 H new ATOM 770 N PRO A 50 2.537 -10.598 -4.105 1.00 0.00 N ATOM 771 CA PRO A 50 3.590 -11.603 -3.947 1.00 0.00 C ATOM 772 C PRO A 50 3.926 -12.297 -5.265 1.00 0.00 C ATOM 773 O PRO A 50 3.332 -12.038 -6.316 1.00 0.00 O ATOM 774 CB PRO A 50 3.072 -12.587 -2.885 1.00 0.00 C ATOM 775 CG PRO A 50 1.564 -12.521 -3.062 1.00 0.00 C ATOM 776 CD PRO A 50 1.362 -11.044 -3.370 1.00 0.00 C ATOM 0 HA PRO A 50 4.528 -11.145 -3.632 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.454 -13.595 -3.049 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.373 -12.291 -1.880 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.217 -13.161 -3.873 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.031 -12.830 -2.163 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.458 -10.893 -3.960 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.242 -10.471 -2.450 1.00 0.00 H new ATOM 866 N PRO A 57 10.499 -7.316 -2.584 1.00 0.00 N ATOM 867 CA PRO A 57 11.000 -6.002 -2.221 1.00 0.00 C ATOM 868 C PRO A 57 9.876 -4.994 -2.475 1.00 0.00 C ATOM 869 O PRO A 57 9.590 -4.611 -3.612 1.00 0.00 O ATOM 870 CB PRO A 57 12.253 -5.776 -3.070 1.00 0.00 C ATOM 871 CG PRO A 57 11.985 -6.607 -4.319 1.00 0.00 C ATOM 872 CD PRO A 57 11.166 -7.786 -3.793 1.00 0.00 C ATOM 0 HA PRO A 57 11.281 -5.896 -1.173 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.391 -4.722 -3.310 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.154 -6.106 -2.553 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.435 -6.039 -5.069 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.912 -6.939 -4.787 1.00 0.00 H new ATOM 0 HD2 PRO A 57 10.439 -8.116 -4.535 1.00 0.00 H new ATOM 0 HD3 PRO A 57 11.809 -8.639 -3.576 1.00 0.00 H new ATOM 880 N GLY A 58 9.170 -4.654 -1.403 1.00 0.00 N ATOM 881 CA GLY A 58 8.051 -3.720 -1.372 1.00 0.00 C ATOM 882 C GLY A 58 6.809 -4.318 -0.713 1.00 0.00 C ATOM 883 O GLY A 58 5.825 -3.607 -0.520 1.00 0.00 O ATOM 0 H GLY A 58 9.374 -5.044 -0.483 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.347 -2.820 -0.832 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.808 -3.416 -2.390 1.00 0.00 H new ATOM 887 N CYS A 59 6.799 -5.618 -0.397 1.00 0.00 N ATOM 888 CA CYS A 59 5.553 -6.298 -0.081 1.00 0.00 C ATOM 889 C CYS A 59 5.163 -6.040 1.385 1.00 0.00 C ATOM 890 O CYS A 59 6.012 -5.934 2.276 1.00 0.00 O ATOM 891 CB CYS A 59 5.656 -7.794 -0.461 1.00 0.00 C ATOM 892 SG CYS A 59 3.977 -8.434 -0.814 1.00 0.00 S ATOM 0 H CYS A 59 7.631 -6.207 -0.355 1.00 0.00 H new ATOM 0 HA CYS A 59 4.736 -5.893 -0.678 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.298 -7.918 -1.333 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.111 -8.359 0.352 1.00 0.00 H new ATOM 0 HG CYS A 59 3.437 -7.733 -1.767 1.00 0.00 H new ATOM 898 N GLY A 60 3.861 -5.887 1.621 1.00 0.00 N ATOM 899 CA GLY A 60 3.264 -5.449 2.875 1.00 0.00 C ATOM 900 C GLY A 60 3.339 -3.937 3.090 1.00 0.00 C ATOM 901 O GLY A 60 2.666 -3.420 3.986 1.00 0.00 O ATOM 0 H GLY A 60 3.161 -6.076 0.904 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.220 -5.760 2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.766 -5.951 3.702 1.00 0.00 H new ATOM 905 N LYS A 61 4.124 -3.207 2.291 1.00 0.00 N ATOM 906 CA LYS A 61 4.025 -1.757 2.219 1.00 0.00 C ATOM 907 C LYS A 61 2.959 -1.445 1.181 1.00 0.00 C ATOM 908 O LYS A 61 2.805 -2.181 0.198 1.00 0.00 O ATOM 909 CB LYS A 61 5.361 -1.097 1.832 1.00 0.00 C ATOM 910 CG LYS A 61 6.543 -1.459 2.742 1.00 0.00 C ATOM 911 CD LYS A 61 7.378 -2.613 2.165 1.00 0.00 C ATOM 912 CE LYS A 61 8.549 -2.906 3.102 1.00 0.00 C ATOM 913 NZ LYS A 61 9.456 -3.955 2.597 1.00 0.00 N ATOM 0 H LYS A 61 4.839 -3.607 1.683 1.00 0.00 H new ATOM 0 HA LYS A 61 3.765 -1.356 3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.608 -1.381 0.809 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.232 -0.015 1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.178 -0.584 2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.170 -1.738 3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.759 -3.503 2.049 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.747 -2.350 1.174 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.117 -1.989 3.259 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.160 -3.210 4.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.227 -4.105 3.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.927 -4.841 2.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.854 -3.659 1.683 1.00 0.00 H new ATOM 927 N ILE A 62 2.235 -0.356 1.403 1.00 0.00 N ATOM 928 CA ILE A 62 1.315 0.234 0.448 1.00 0.00 C ATOM 929 C ILE A 62 1.880 1.630 0.205 1.00 0.00 C ATOM 930 O ILE A 62 2.454 2.253 1.103 1.00 0.00 O ATOM 931 CB ILE A 62 -0.130 0.224 1.009 1.00 0.00 C ATOM 932 CG1 ILE A 62 -0.758 -1.189 1.006 1.00 0.00 C ATOM 933 CG2 ILE A 62 -1.088 1.118 0.199 1.00 0.00 C ATOM 934 CD1 ILE A 62 -0.118 -2.210 1.948 1.00 0.00 C ATOM 0 H ILE A 62 2.276 0.156 2.284 1.00 0.00 H new ATOM 0 HA ILE A 62 1.236 -0.314 -0.491 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.020 0.598 2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.813 -1.097 1.265 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.713 -1.583 -0.009 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.085 1.073 0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.729 2.147 0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.128 0.768 -0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.640 -3.163 1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.930 -2.345 1.681 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.187 -1.851 2.975 1.00 0.00 H new ATOM 946 N PHE A 63 1.718 2.142 -1.002 1.00 0.00 N ATOM 947 CA PHE A 63 2.078 3.500 -1.385 1.00 0.00 C ATOM 948 C PHE A 63 0.790 4.137 -1.913 1.00 0.00 C ATOM 949 O PHE A 63 -0.162 3.436 -2.274 1.00 0.00 O ATOM 950 CB PHE A 63 3.254 3.456 -2.371 1.00 0.00 C ATOM 951 CG PHE A 63 4.397 2.540 -1.960 1.00 0.00 C ATOM 952 CD1 PHE A 63 4.272 1.146 -2.100 1.00 0.00 C ATOM 953 CD2 PHE A 63 5.589 3.071 -1.436 1.00 0.00 C ATOM 954 CE1 PHE A 63 5.293 0.289 -1.671 1.00 0.00 C ATOM 955 CE2 PHE A 63 6.640 2.213 -1.055 1.00 0.00 C ATOM 956 CZ PHE A 63 6.486 0.818 -1.152 1.00 0.00 C ATOM 0 H PHE A 63 1.318 1.606 -1.772 1.00 0.00 H new ATOM 0 HA PHE A 63 2.444 4.118 -0.565 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.882 3.136 -3.344 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.643 4.466 -2.496 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.378 0.732 -2.543 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.699 4.140 -1.325 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.163 -0.781 -1.739 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.567 2.628 -0.687 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.279 0.159 -0.830 1.00 0.00 H new ATOM 966 N VAL A 64 0.719 5.457 -1.921 1.00 0.00 N ATOM 967 CA VAL A 64 -0.428 6.218 -2.391 1.00 0.00 C ATOM 968 C VAL A 64 0.144 7.469 -3.046 1.00 0.00 C ATOM 969 O VAL A 64 1.239 7.894 -2.668 1.00 0.00 O ATOM 970 CB VAL A 64 -1.365 6.470 -1.185 1.00 0.00 C ATOM 971 CG1 VAL A 64 -0.738 7.383 -0.133 1.00 0.00 C ATOM 972 CG2 VAL A 64 -2.733 7.043 -1.533 1.00 0.00 C ATOM 0 H VAL A 64 1.482 6.048 -1.590 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.044 5.710 -3.133 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.511 5.465 -0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.439 7.525 0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.177 6.928 0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.505 8.348 -0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.312 7.182 -0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.609 8.003 -2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.259 6.354 -2.194 1.00 0.00 H new ATOM 982 N GLU A 65 -0.561 8.064 -4.001 1.00 0.00 N ATOM 983 CA GLU A 65 -0.118 9.252 -4.719 1.00 0.00 C ATOM 984 C GLU A 65 -1.267 10.245 -4.746 1.00 0.00 C ATOM 985 O GLU A 65 -2.414 9.832 -4.908 1.00 0.00 O ATOM 986 CB GLU A 65 0.410 8.829 -6.096 1.00 0.00 C ATOM 987 CG GLU A 65 0.798 9.993 -7.007 1.00 0.00 C ATOM 988 CD GLU A 65 1.627 9.571 -8.223 1.00 0.00 C ATOM 989 OE1 GLU A 65 1.154 8.708 -8.999 1.00 0.00 O ATOM 990 OE2 GLU A 65 2.696 10.190 -8.421 1.00 0.00 O ATOM 0 H GLU A 65 -1.475 7.727 -4.304 1.00 0.00 H new ATOM 0 HA GLU A 65 0.713 9.759 -4.229 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.280 8.187 -5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.352 8.230 -6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.108 10.492 -7.351 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.363 10.723 -6.428 1.00 0.00 H new ATOM 997 N PHE A 66 -0.975 11.531 -4.554 1.00 0.00 N ATOM 998 CA PHE A 66 -1.952 12.618 -4.489 1.00 0.00 C ATOM 999 C PHE A 66 -1.769 13.578 -5.670 1.00 0.00 C ATOM 1000 O PHE A 66 -0.841 13.425 -6.469 1.00 0.00 O ATOM 1001 CB PHE A 66 -1.815 13.365 -3.153 1.00 0.00 C ATOM 1002 CG PHE A 66 -2.291 12.604 -1.929 1.00 0.00 C ATOM 1003 CD1 PHE A 66 -1.439 11.697 -1.272 1.00 0.00 C ATOM 1004 CD2 PHE A 66 -3.585 12.836 -1.421 1.00 0.00 C ATOM 1005 CE1 PHE A 66 -1.875 11.017 -0.123 1.00 0.00 C ATOM 1006 CE2 PHE A 66 -4.026 12.149 -0.277 1.00 0.00 C ATOM 1007 CZ PHE A 66 -3.175 11.231 0.364 1.00 0.00 C ATOM 0 H PHE A 66 -0.016 11.857 -4.435 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.955 12.195 -4.551 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.767 13.630 -3.010 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.374 14.299 -3.219 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.444 11.523 -1.654 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.238 13.542 -1.911 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.213 10.332 0.385 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.019 12.326 0.110 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.522 10.690 1.232 1.00 0.00 H new ATOM 1017 N THR A 67 -2.661 14.567 -5.802 1.00 0.00 N ATOM 1018 CA THR A 67 -2.569 15.555 -6.877 1.00 0.00 C ATOM 1019 C THR A 67 -1.447 16.574 -6.631 1.00 0.00 C ATOM 1020 O THR A 67 -0.993 17.214 -7.586 1.00 0.00 O ATOM 1021 CB THR A 67 -3.910 16.275 -7.076 1.00 0.00 C ATOM 1022 OG1 THR A 67 -4.363 16.973 -5.923 1.00 0.00 O ATOM 1023 CG2 THR A 67 -5.000 15.305 -7.536 1.00 0.00 C ATOM 0 H THR A 67 -3.455 14.702 -5.176 1.00 0.00 H new ATOM 0 HA THR A 67 -2.324 15.010 -7.789 1.00 0.00 H new ATOM 0 HB THR A 67 -3.719 17.017 -7.851 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.661 16.965 -5.239 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.937 15.846 -7.668 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.707 14.851 -8.483 1.00 0.00 H new ATOM 0 HG23 THR A 67 -5.134 14.526 -6.786 1.00 0.00 H new ATOM 1031 N SER A 68 -1.033 16.773 -5.376 1.00 0.00 N ATOM 1032 CA SER A 68 0.045 17.664 -5.005 1.00 0.00 C ATOM 1033 C SER A 68 0.664 17.217 -3.684 1.00 0.00 C ATOM 1034 O SER A 68 0.041 16.563 -2.846 1.00 0.00 O ATOM 1035 CB SER A 68 -0.530 19.076 -4.850 1.00 0.00 C ATOM 1036 OG SER A 68 0.479 20.057 -4.711 1.00 0.00 O ATOM 0 H SER A 68 -1.456 16.301 -4.577 1.00 0.00 H new ATOM 0 HA SER A 68 0.818 17.650 -5.774 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.145 19.312 -5.718 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.184 19.105 -3.978 1.00 0.00 H new ATOM 0 HG SER A 68 0.066 20.941 -4.617 1.00 0.00 H new ATOM 1042 N VAL A 69 1.873 17.716 -3.445 1.00 0.00 N ATOM 1043 CA VAL A 69 2.553 17.712 -2.155 1.00 0.00 C ATOM 1044 C VAL A 69 1.605 18.316 -1.113 1.00 0.00 C ATOM 1045 O VAL A 69 1.480 17.833 0.010 1.00 0.00 O ATOM 1046 CB VAL A 69 3.870 18.520 -2.275 1.00 0.00 C ATOM 1047 CG1 VAL A 69 4.764 18.321 -1.050 1.00 0.00 C ATOM 1048 CG2 VAL A 69 4.683 18.129 -3.523 1.00 0.00 C ATOM 0 H VAL A 69 2.430 18.154 -4.179 1.00 0.00 H new ATOM 0 HA VAL A 69 2.812 16.700 -1.844 1.00 0.00 H new ATOM 0 HB VAL A 69 3.567 19.564 -2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.678 18.902 -1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.236 18.654 -0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.016 17.265 -0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.596 18.722 -3.563 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.940 17.071 -3.473 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.089 18.317 -4.418 1.00 0.00 H new ATOM 1058 N PHE A 70 0.880 19.362 -1.505 1.00 0.00 N ATOM 1059 CA PHE A 70 0.022 20.109 -0.615 1.00 0.00 C ATOM 1060 C PHE A 70 -1.209 19.332 -0.154 1.00 0.00 C ATOM 1061 O PHE A 70 -1.620 19.559 0.984 1.00 0.00 O ATOM 1062 CB PHE A 70 -0.371 21.422 -1.300 1.00 0.00 C ATOM 1063 CG PHE A 70 0.362 22.607 -0.723 1.00 0.00 C ATOM 1064 CD1 PHE A 70 -0.179 23.313 0.368 1.00 0.00 C ATOM 1065 CD2 PHE A 70 1.614 22.973 -1.246 1.00 0.00 C ATOM 1066 CE1 PHE A 70 0.509 24.411 0.904 1.00 0.00 C ATOM 1067 CE2 PHE A 70 2.308 24.060 -0.698 1.00 0.00 C ATOM 1068 CZ PHE A 70 1.748 24.789 0.365 1.00 0.00 C ATOM 0 H PHE A 70 0.879 19.711 -2.463 1.00 0.00 H new ATOM 0 HA PHE A 70 0.583 20.312 0.297 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.160 21.351 -2.367 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.445 21.576 -1.197 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.124 23.009 0.792 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.040 22.418 -2.068 1.00 0.00 H new ATOM 0 HE1 PHE A 70 0.086 24.964 1.730 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.274 24.338 -1.093 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.273 25.643 0.768 1.00 0.00 H new ATOM 1078 N ASP A 71 -1.827 18.469 -0.972 1.00 0.00 N ATOM 1079 CA ASP A 71 -2.996 17.691 -0.522 1.00 0.00 C ATOM 1080 C ASP A 71 -2.573 16.410 0.200 1.00 0.00 C ATOM 1081 O ASP A 71 -3.277 15.914 1.080 1.00 0.00 O ATOM 1082 CB ASP A 71 -4.052 17.498 -1.628 1.00 0.00 C ATOM 1083 CG ASP A 71 -3.854 16.477 -2.730 1.00 0.00 C ATOM 1084 OD1 ASP A 71 -3.006 16.725 -3.604 1.00 0.00 O ATOM 1085 OD2 ASP A 71 -4.698 15.576 -2.877 1.00 0.00 O ATOM 0 H ASP A 71 -1.544 18.291 -1.936 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.519 18.283 0.229 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.992 17.254 -1.132 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.188 18.466 -2.111 1.00 0.00 H new ATOM 1090 N CYS A 72 -1.340 15.981 -0.052 1.00 0.00 N ATOM 1091 CA CYS A 72 -0.668 14.891 0.636 1.00 0.00 C ATOM 1092 C CYS A 72 -0.338 15.297 2.079 1.00 0.00 C ATOM 1093 O CYS A 72 -0.656 14.572 3.024 1.00 0.00 O ATOM 1094 CB CYS A 72 0.586 14.509 -0.166 1.00 0.00 C ATOM 1095 SG CYS A 72 1.617 13.381 0.801 1.00 0.00 S ATOM 0 H CYS A 72 -0.758 16.405 -0.775 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.317 14.017 0.699 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.298 14.037 -1.105 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.152 15.405 -0.420 1.00 0.00 H new ATOM 0 HG CYS A 72 2.247 12.574 -0.000 1.00 0.00 H new ATOM 1101 N GLN A 73 0.276 16.469 2.270 1.00 0.00 N ATOM 1102 CA GLN A 73 0.688 16.962 3.582 1.00 0.00 C ATOM 1103 C GLN A 73 -0.474 16.996 4.576 1.00 0.00 C ATOM 1104 O GLN A 73 -0.279 16.753 5.771 1.00 0.00 O ATOM 1105 CB GLN A 73 1.296 18.369 3.439 1.00 0.00 C ATOM 1106 CG GLN A 73 2.810 18.348 3.642 1.00 0.00 C ATOM 1107 CD GLN A 73 3.369 19.758 3.543 1.00 0.00 C ATOM 1108 OE1 GLN A 73 3.216 20.565 4.462 1.00 0.00 O ATOM 1109 NE2 GLN A 73 3.981 20.085 2.415 1.00 0.00 N ATOM 0 H GLN A 73 0.502 17.107 1.507 1.00 0.00 H new ATOM 0 HA GLN A 73 1.434 16.271 3.975 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.066 18.767 2.451 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.839 19.039 4.167 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.048 17.921 4.616 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.277 17.710 2.892 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.090 19.392 1.675 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.343 21.030 2.287 1.00 0.00 H new ATOM 1118 N LYS A 74 -1.679 17.335 4.115 1.00 0.00 N ATOM 1119 CA LYS A 74 -2.863 17.391 4.962 1.00 0.00 C ATOM 1120 C LYS A 74 -3.269 15.974 5.324 1.00 0.00 C ATOM 1121 O LYS A 74 -3.573 15.681 6.485 1.00 0.00 O ATOM 1122 CB LYS A 74 -4.012 18.106 4.232 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.571 19.437 3.598 1.00 0.00 C ATOM 1124 CD LYS A 74 -4.520 20.596 3.936 1.00 0.00 C ATOM 1125 CE LYS A 74 -3.980 21.892 3.318 1.00 0.00 C ATOM 1126 NZ LYS A 74 -4.012 23.041 4.242 1.00 0.00 N ATOM 0 H LYS A 74 -1.858 17.578 3.141 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.639 17.953 5.869 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.408 17.451 3.456 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.824 18.294 4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.566 19.683 3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.518 19.320 2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.519 20.386 3.554 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.609 20.705 5.017 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.954 21.729 2.989 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.565 22.133 2.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.634 23.883 3.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.993 23.222 4.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.432 22.830 5.079 1.00 0.00 H new ATOM 1140 N ALA A 75 -3.284 15.106 4.315 1.00 0.00 N ATOM 1141 CA ALA A 75 -3.702 13.733 4.420 1.00 0.00 C ATOM 1142 C ALA A 75 -2.852 12.951 5.414 1.00 0.00 C ATOM 1143 O ALA A 75 -3.415 12.127 6.131 1.00 0.00 O ATOM 1144 CB ALA A 75 -3.635 13.113 3.028 1.00 0.00 C ATOM 0 H ALA A 75 -2.992 15.361 3.372 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.722 13.694 4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.947 12.070 3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.297 13.658 2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.613 13.168 2.654 1.00 0.00 H new ATOM 1150 N MET A 76 -1.528 13.146 5.442 1.00 0.00 N ATOM 1151 CA MET A 76 -0.622 12.457 6.353 1.00 0.00 C ATOM 1152 C MET A 76 -1.108 12.643 7.784 1.00 0.00 C ATOM 1153 O MET A 76 -1.571 11.704 8.433 1.00 0.00 O ATOM 1154 CB MET A 76 0.806 12.992 6.157 1.00 0.00 C ATOM 1155 CG MET A 76 1.732 12.521 7.280 1.00 0.00 C ATOM 1156 SD MET A 76 3.466 12.923 7.011 1.00 0.00 S ATOM 1157 CE MET A 76 4.098 11.237 6.992 1.00 0.00 C ATOM 0 H MET A 76 -1.053 13.800 4.819 1.00 0.00 H new ATOM 0 HA MET A 76 -0.609 11.388 6.140 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.195 12.655 5.196 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.788 14.082 6.129 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.406 12.970 8.219 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.632 11.441 7.391 1.00 0.00 H new ATOM 0 HE1 MET A 76 5.099 11.228 6.561 1.00 0.00 H new ATOM 0 HE2 MET A 76 4.139 10.852 8.011 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.439 10.608 6.393 1.00 0.00 H new ATOM 1167 N GLN A 77 -1.018 13.880 8.266 1.00 0.00 N ATOM 1168 CA GLN A 77 -1.383 14.247 9.626 1.00 0.00 C ATOM 1169 C GLN A 77 -2.827 13.834 9.927 1.00 0.00 C ATOM 1170 O GLN A 77 -3.121 13.404 11.043 1.00 0.00 O ATOM 1171 CB GLN A 77 -1.211 15.765 9.794 1.00 0.00 C ATOM 1172 CG GLN A 77 0.248 16.249 9.658 1.00 0.00 C ATOM 1173 CD GLN A 77 0.376 17.700 9.180 1.00 0.00 C ATOM 1174 OE1 GLN A 77 -0.594 18.444 9.059 1.00 0.00 O ATOM 1175 NE2 GLN A 77 1.579 18.124 8.837 1.00 0.00 N ATOM 0 H GLN A 77 -0.683 14.667 7.710 1.00 0.00 H new ATOM 0 HA GLN A 77 -0.734 13.726 10.330 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.823 16.274 9.050 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.590 16.057 10.773 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.746 16.149 10.623 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.773 15.598 8.959 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.385 17.507 8.937 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.702 19.068 8.472 1.00 0.00 H new ATOM 1184 N GLY A 78 -3.717 13.907 8.937 1.00 0.00 N ATOM 1185 CA GLY A 78 -5.124 13.594 9.109 1.00 0.00 C ATOM 1186 C GLY A 78 -5.416 12.114 9.337 1.00 0.00 C ATOM 1187 O GLY A 78 -6.473 11.793 9.891 1.00 0.00 O ATOM 0 H GLY A 78 -3.473 14.188 7.987 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.510 14.163 9.955 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.669 13.928 8.226 1.00 0.00 H new ATOM 1191 N LEU A 79 -4.498 11.222 8.948 1.00 0.00 N ATOM 1192 CA LEU A 79 -4.667 9.770 8.988 1.00 0.00 C ATOM 1193 C LEU A 79 -3.591 9.085 9.850 1.00 0.00 C ATOM 1194 O LEU A 79 -3.571 7.860 9.978 1.00 0.00 O ATOM 1195 CB LEU A 79 -4.695 9.230 7.542 1.00 0.00 C ATOM 1196 CG LEU A 79 -5.966 9.581 6.730 1.00 0.00 C ATOM 1197 CD1 LEU A 79 -5.838 9.093 5.281 1.00 0.00 C ATOM 1198 CD2 LEU A 79 -7.225 8.954 7.333 1.00 0.00 C ATOM 0 H LEU A 79 -3.587 11.503 8.585 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.616 9.534 9.470 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.826 9.617 7.010 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.592 8.145 7.574 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.059 10.667 6.760 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.742 9.350 4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.978 9.570 4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.703 8.011 5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.092 9.227 6.731 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.120 7.869 7.347 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.361 9.319 8.351 1.00 0.00 H new ATOM 1210 N THR A 80 -2.695 9.848 10.477 1.00 0.00 N ATOM 1211 CA THR A 80 -1.649 9.328 11.347 1.00 0.00 C ATOM 1212 C THR A 80 -2.279 8.632 12.568 1.00 0.00 C ATOM 1213 O THR A 80 -2.690 9.305 13.521 1.00 0.00 O ATOM 1214 CB THR A 80 -0.728 10.485 11.758 1.00 0.00 C ATOM 1215 OG1 THR A 80 -0.124 11.075 10.623 1.00 0.00 O ATOM 1216 CG2 THR A 80 0.392 10.026 12.695 1.00 0.00 C ATOM 0 H THR A 80 -2.679 10.864 10.390 1.00 0.00 H new ATOM 0 HA THR A 80 -1.052 8.582 10.822 1.00 0.00 H new ATOM 0 HB THR A 80 -1.360 11.206 12.276 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.819 11.430 10.030 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.018 10.878 12.959 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.042 9.601 13.600 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.999 9.271 12.194 1.00 0.00 H new ATOM 1224 N GLY A 81 -2.300 7.295 12.564 1.00 0.00 N ATOM 1225 CA GLY A 81 -2.809 6.459 13.651 1.00 0.00 C ATOM 1226 C GLY A 81 -4.112 5.745 13.292 1.00 0.00 C ATOM 1227 O GLY A 81 -4.662 5.013 14.120 1.00 0.00 O ATOM 0 H GLY A 81 -1.951 6.749 11.776 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.055 5.717 13.916 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.971 7.078 14.533 1.00 0.00 H new ATOM 1231 N ARG A 82 -4.626 5.938 12.074 1.00 0.00 N ATOM 1232 CA ARG A 82 -5.826 5.270 11.596 1.00 0.00 C ATOM 1233 C ARG A 82 -5.569 3.809 11.263 1.00 0.00 C ATOM 1234 O ARG A 82 -4.501 3.268 11.543 1.00 0.00 O ATOM 1235 CB ARG A 82 -6.360 6.057 10.401 1.00 0.00 C ATOM 1236 CG ARG A 82 -6.886 7.444 10.790 1.00 0.00 C ATOM 1237 CD ARG A 82 -8.083 7.380 11.747 1.00 0.00 C ATOM 1238 NE ARG A 82 -9.179 6.532 11.245 1.00 0.00 N ATOM 1239 CZ ARG A 82 -9.852 6.687 10.101 1.00 0.00 C ATOM 1240 NH1 ARG A 82 -9.768 7.809 9.394 1.00 0.00 N ATOM 1241 NH2 ARG A 82 -10.602 5.690 9.659 1.00 0.00 N ATOM 0 H ARG A 82 -4.211 6.571 11.390 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.580 5.254 12.383 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.567 6.168 9.662 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.161 5.490 9.927 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.083 8.014 11.258 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -7.176 7.983 9.888 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -7.749 6.999 12.712 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -8.460 8.389 11.916 1.00 0.00 H new ATOM 0 HE ARG A 82 -9.452 5.744 11.832 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -9.180 8.575 9.722 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -10.291 7.904 8.524 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -10.659 4.821 10.190 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -11.123 5.791 8.788 1.00 0.00 H new ATOM 1255 N LYS A 83 -6.588 3.139 10.730 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.617 1.707 10.488 1.00 0.00 C ATOM 1257 C LYS A 83 -7.262 1.525 9.126 1.00 0.00 C ATOM 1258 O LYS A 83 -8.409 1.930 8.943 1.00 0.00 O ATOM 1259 CB LYS A 83 -7.387 0.972 11.600 1.00 0.00 C ATOM 1260 CG LYS A 83 -6.814 1.272 12.996 1.00 0.00 C ATOM 1261 CD LYS A 83 -7.646 0.617 14.094 1.00 0.00 C ATOM 1262 CE LYS A 83 -7.075 1.018 15.458 1.00 0.00 C ATOM 1263 NZ LYS A 83 -7.942 0.557 16.555 1.00 0.00 N ATOM 0 H LYS A 83 -7.450 3.603 10.444 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.615 1.277 10.497 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.436 1.265 11.569 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.351 -0.102 11.417 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.786 0.913 13.054 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.784 2.350 13.154 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.687 0.930 14.015 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.630 -0.467 13.983 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.078 0.594 15.577 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.968 2.102 15.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.530 0.843 17.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.886 0.981 16.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.023 -0.479 16.521 1.00 0.00 H new ATOM 1277 N PHE A 84 -6.496 0.995 8.175 1.00 0.00 N ATOM 1278 CA PHE A 84 -6.890 0.796 6.770 1.00 0.00 C ATOM 1279 C PHE A 84 -7.116 -0.700 6.465 1.00 0.00 C ATOM 1280 O PHE A 84 -6.956 -1.138 5.326 1.00 0.00 O ATOM 1281 CB PHE A 84 -5.824 1.436 5.846 1.00 0.00 C ATOM 1282 CG PHE A 84 -5.932 2.917 5.509 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -6.739 3.803 6.249 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -5.242 3.395 4.373 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -6.889 5.135 5.823 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -5.422 4.717 3.922 1.00 0.00 C ATOM 1287 CZ PHE A 84 -6.270 5.577 4.639 1.00 0.00 C ATOM 0 H PHE A 84 -5.545 0.678 8.363 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.842 1.292 6.582 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.849 1.274 6.306 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.829 0.884 4.906 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -7.241 3.460 7.141 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.568 2.738 3.843 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -7.482 5.822 6.408 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.914 5.065 3.035 1.00 0.00 H new ATOM 0 HZ PHE A 84 -6.447 6.580 4.281 1.00 0.00 H new ATOM 1297 N ALA A 85 -7.425 -1.504 7.485 1.00 0.00 N ATOM 1298 CA ALA A 85 -7.771 -2.923 7.396 1.00 0.00 C ATOM 1299 C ALA A 85 -8.086 -3.432 8.795 1.00 0.00 C ATOM 1300 O ALA A 85 -9.227 -3.793 9.083 1.00 0.00 O ATOM 1301 CB ALA A 85 -6.675 -3.756 6.712 1.00 0.00 C ATOM 0 H ALA A 85 -7.441 -1.164 8.446 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.651 -3.034 6.762 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.983 -4.801 6.673 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.516 -3.386 5.699 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.748 -3.673 7.279 1.00 0.00 H new ATOM 1307 N ASN A 86 -7.100 -3.427 9.697 1.00 0.00 N ATOM 1308 CA ASN A 86 -7.337 -3.729 11.113 1.00 0.00 C ATOM 1309 C ASN A 86 -6.287 -3.143 12.056 1.00 0.00 C ATOM 1310 O ASN A 86 -6.515 -3.058 13.264 1.00 0.00 O ATOM 1311 CB ASN A 86 -7.418 -5.255 11.311 1.00 0.00 C ATOM 1312 CG ASN A 86 -8.781 -5.630 11.867 1.00 0.00 C ATOM 1313 OD1 ASN A 86 -9.003 -5.666 13.071 1.00 0.00 O ATOM 1314 ND2 ASN A 86 -9.736 -5.926 11.001 1.00 0.00 N ATOM 0 H ASN A 86 -6.128 -3.217 9.472 1.00 0.00 H new ATOM 0 HA ASN A 86 -8.282 -3.253 11.374 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -7.250 -5.764 10.362 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -6.634 -5.585 11.992 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -10.664 -6.186 11.335 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -9.544 -5.894 10.000 1.00 0.00 H new ATOM 1321 N ARG A 87 -5.118 -2.762 11.541 1.00 0.00 N ATOM 1322 CA ARG A 87 -3.932 -2.434 12.336 1.00 0.00 C ATOM 1323 C ARG A 87 -3.604 -0.961 12.191 1.00 0.00 C ATOM 1324 O ARG A 87 -4.125 -0.301 11.291 1.00 0.00 O ATOM 1325 CB ARG A 87 -2.756 -3.287 11.846 1.00 0.00 C ATOM 1326 CG ARG A 87 -3.050 -4.786 12.030 1.00 0.00 C ATOM 1327 CD ARG A 87 -2.042 -5.718 11.354 1.00 0.00 C ATOM 1328 NE ARG A 87 -0.759 -5.761 12.069 1.00 0.00 N ATOM 1329 CZ ARG A 87 0.116 -6.773 12.106 1.00 0.00 C ATOM 1330 NH1 ARG A 87 -0.111 -7.936 11.507 1.00 0.00 N ATOM 1331 NH2 ARG A 87 1.253 -6.590 12.761 1.00 0.00 N ATOM 0 H ARG A 87 -4.965 -2.670 10.537 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.123 -2.644 13.388 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.563 -3.077 10.794 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.854 -3.019 12.396 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.075 -5.010 13.096 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.044 -4.999 11.636 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.459 -6.723 11.299 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.874 -5.387 10.329 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.507 -4.925 12.597 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.980 -8.084 10.994 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.583 -8.681 11.560 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.440 -5.698 13.218 1.00 0.00 H new ATOM 0 HH22 ARG A 87 1.941 -7.341 12.808 1.00 0.00 H new ATOM 1345 N VAL A 88 -2.730 -0.460 13.060 1.00 0.00 N ATOM 1346 CA VAL A 88 -2.323 0.938 13.018 1.00 0.00 C ATOM 1347 C VAL A 88 -1.561 1.189 11.728 1.00 0.00 C ATOM 1348 O VAL A 88 -0.535 0.559 11.476 1.00 0.00 O ATOM 1349 CB VAL A 88 -1.555 1.348 14.282 1.00 0.00 C ATOM 1350 CG1 VAL A 88 -0.152 0.747 14.398 1.00 0.00 C ATOM 1351 CG2 VAL A 88 -1.480 2.871 14.425 1.00 0.00 C ATOM 0 H VAL A 88 -2.290 -1.004 13.802 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.203 1.581 13.014 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.138 0.929 15.102 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.316 1.091 15.321 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.222 -0.341 14.410 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.451 1.062 13.546 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.929 3.125 15.331 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.969 3.293 13.560 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.488 3.281 14.487 1.00 0.00 H new ATOM 1361 N VAL A 89 -2.074 2.076 10.892 1.00 0.00 N ATOM 1362 CA VAL A 89 -1.350 2.629 9.775 1.00 0.00 C ATOM 1363 C VAL A 89 -0.226 3.478 10.348 1.00 0.00 C ATOM 1364 O VAL A 89 -0.412 4.239 11.301 1.00 0.00 O ATOM 1365 CB VAL A 89 -2.309 3.444 8.893 1.00 0.00 C ATOM 1366 CG1 VAL A 89 -1.543 4.205 7.801 1.00 0.00 C ATOM 1367 CG2 VAL A 89 -3.344 2.487 8.286 1.00 0.00 C ATOM 0 H VAL A 89 -3.025 2.435 10.978 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.924 1.853 9.139 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.819 4.193 9.499 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.246 4.773 7.192 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.831 4.888 8.265 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.008 3.495 7.170 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.034 3.049 7.656 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.835 1.734 7.684 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.900 1.997 9.086 1.00 0.00 H new ATOM 1377 N VAL A 90 0.945 3.367 9.734 1.00 0.00 N ATOM 1378 CA VAL A 90 2.095 4.197 10.030 1.00 0.00 C ATOM 1379 C VAL A 90 2.500 4.807 8.696 1.00 0.00 C ATOM 1380 O VAL A 90 2.556 4.106 7.684 1.00 0.00 O ATOM 1381 CB VAL A 90 3.207 3.350 10.673 1.00 0.00 C ATOM 1382 CG1 VAL A 90 4.346 4.254 11.149 1.00 0.00 C ATOM 1383 CG2 VAL A 90 2.705 2.512 11.858 1.00 0.00 C ATOM 0 H VAL A 90 1.121 2.680 9.000 1.00 0.00 H new ATOM 0 HA VAL A 90 1.882 4.985 10.753 1.00 0.00 H new ATOM 0 HB VAL A 90 3.560 2.662 9.905 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.128 3.645 11.603 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.757 4.799 10.299 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.965 4.962 11.885 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.532 1.935 12.272 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.303 3.172 12.626 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.923 1.833 11.518 1.00 0.00 H new ATOM 1393 N THR A 91 2.704 6.116 8.695 1.00 0.00 N ATOM 1394 CA THR A 91 2.788 6.973 7.522 1.00 0.00 C ATOM 1395 C THR A 91 4.248 7.381 7.312 1.00 0.00 C ATOM 1396 O THR A 91 4.981 7.562 8.283 1.00 0.00 O ATOM 1397 CB THR A 91 1.898 8.195 7.820 1.00 0.00 C ATOM 1398 OG1 THR A 91 2.226 8.772 9.076 1.00 0.00 O ATOM 1399 CG2 THR A 91 0.424 7.792 7.918 1.00 0.00 C ATOM 0 H THR A 91 2.822 6.638 9.563 1.00 0.00 H new ATOM 0 HA THR A 91 2.452 6.476 6.612 1.00 0.00 H new ATOM 0 HB THR A 91 2.065 8.898 7.004 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.649 9.546 9.241 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.181 8.674 8.129 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.104 7.350 6.974 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.298 7.065 8.720 1.00 0.00 H new ATOM 1407 N LYS A 92 4.684 7.564 6.070 1.00 0.00 N ATOM 1408 CA LYS A 92 6.036 7.961 5.692 1.00 0.00 C ATOM 1409 C LYS A 92 5.962 8.663 4.353 1.00 0.00 C ATOM 1410 O LYS A 92 5.083 8.309 3.567 1.00 0.00 O ATOM 1411 CB LYS A 92 6.881 6.689 5.531 1.00 0.00 C ATOM 1412 CG LYS A 92 8.013 6.584 6.549 1.00 0.00 C ATOM 1413 CD LYS A 92 9.364 7.000 5.959 1.00 0.00 C ATOM 1414 CE LYS A 92 10.503 6.627 6.913 1.00 0.00 C ATOM 1415 NZ LYS A 92 10.679 5.162 7.013 1.00 0.00 N ATOM 0 H LYS A 92 4.076 7.433 5.262 1.00 0.00 H new ATOM 0 HA LYS A 92 6.474 8.617 6.444 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.234 5.817 5.626 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.302 6.666 4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.785 7.214 7.409 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.078 5.559 6.913 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.513 6.511 4.996 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.372 8.074 5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.431 7.082 6.566 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.297 7.037 7.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.619 4.951 7.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.946 4.766 7.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.596 4.737 6.067 1.00 0.00 H new ATOM 1429 N TYR A 93 6.871 9.592 4.067 1.00 0.00 N ATOM 1430 CA TYR A 93 7.018 10.078 2.703 1.00 0.00 C ATOM 1431 C TYR A 93 7.793 9.030 1.892 1.00 0.00 C ATOM 1432 O TYR A 93 8.595 8.256 2.436 1.00 0.00 O ATOM 1433 CB TYR A 93 7.682 11.465 2.698 1.00 0.00 C ATOM 1434 CG TYR A 93 6.844 12.554 3.361 1.00 0.00 C ATOM 1435 CD1 TYR A 93 5.629 12.960 2.773 1.00 0.00 C ATOM 1436 CD2 TYR A 93 7.259 13.162 4.565 1.00 0.00 C ATOM 1437 CE1 TYR A 93 4.841 13.955 3.365 1.00 0.00 C ATOM 1438 CE2 TYR A 93 6.476 14.170 5.162 1.00 0.00 C ATOM 1439 CZ TYR A 93 5.261 14.576 4.556 1.00 0.00 C ATOM 1440 OH TYR A 93 4.497 15.566 5.091 1.00 0.00 O ATOM 0 H TYR A 93 7.503 10.014 4.747 1.00 0.00 H new ATOM 0 HA TYR A 93 6.045 10.212 2.231 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.643 11.399 3.208 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.887 11.755 1.668 1.00 0.00 H new ATOM 0 HD1 TYR A 93 5.301 12.498 1.854 1.00 0.00 H new ATOM 0 HD2 TYR A 93 8.183 12.853 5.032 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.908 14.247 2.906 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.802 14.633 6.082 1.00 0.00 H new ATOM 0 HH TYR A 93 3.940 15.198 5.808 1.00 0.00 H new ATOM 1450 N CYS A 94 7.550 8.993 0.584 1.00 0.00 N ATOM 1451 CA CYS A 94 8.316 8.260 -0.402 1.00 0.00 C ATOM 1452 C CYS A 94 8.822 9.264 -1.442 1.00 0.00 C ATOM 1453 O CYS A 94 8.675 10.480 -1.263 1.00 0.00 O ATOM 1454 CB CYS A 94 7.412 7.167 -0.991 1.00 0.00 C ATOM 1455 SG CYS A 94 8.049 5.528 -0.546 1.00 0.00 S ATOM 0 H CYS A 94 6.770 9.503 0.169 1.00 0.00 H new ATOM 0 HA CYS A 94 9.188 7.761 0.021 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.395 7.285 -0.617 1.00 0.00 H new ATOM 0 HB3 CYS A 94 7.367 7.266 -2.076 1.00 0.00 H new ATOM 0 HG CYS A 94 7.202 4.616 -0.923 1.00 0.00 H new ATOM 1461 N ASP A 95 9.417 8.774 -2.528 1.00 0.00 N ATOM 1462 CA ASP A 95 9.736 9.620 -3.671 1.00 0.00 C ATOM 1463 C ASP A 95 8.832 9.179 -4.828 1.00 0.00 C ATOM 1464 O ASP A 95 8.632 7.970 -4.988 1.00 0.00 O ATOM 1465 CB ASP A 95 11.225 9.519 -4.040 1.00 0.00 C ATOM 1466 CG ASP A 95 12.189 9.853 -2.889 1.00 0.00 C ATOM 1467 OD1 ASP A 95 12.106 10.957 -2.311 1.00 0.00 O ATOM 1468 OD2 ASP A 95 13.053 9.013 -2.544 1.00 0.00 O ATOM 0 H ASP A 95 9.687 7.796 -2.638 1.00 0.00 H new ATOM 0 HA ASP A 95 9.556 10.669 -3.435 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.432 8.508 -4.389 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.427 10.192 -4.873 1.00 0.00 H new ATOM 1473 N PRO A 96 8.345 10.102 -5.679 1.00 0.00 N ATOM 1474 CA PRO A 96 7.484 9.785 -6.818 1.00 0.00 C ATOM 1475 C PRO A 96 8.285 9.136 -7.946 1.00 0.00 C ATOM 1476 O PRO A 96 7.740 8.378 -8.740 1.00 0.00 O ATOM 1477 CB PRO A 96 6.871 11.114 -7.268 1.00 0.00 C ATOM 1478 CG PRO A 96 7.917 12.136 -6.832 1.00 0.00 C ATOM 1479 CD PRO A 96 8.492 11.536 -5.556 1.00 0.00 C ATOM 0 HA PRO A 96 6.710 9.068 -6.543 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.706 11.139 -8.345 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.907 11.295 -6.794 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.686 12.273 -7.593 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.471 13.114 -6.650 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.540 11.810 -5.435 1.00 0.00 H new ATOM 0 HD3 PRO A 96 7.962 11.907 -4.679 1.00 0.00 H new ATOM 1487 N ASP A 97 9.598 9.384 -7.975 1.00 0.00 N ATOM 1488 CA ASP A 97 10.525 8.731 -8.889 1.00 0.00 C ATOM 1489 C ASP A 97 10.334 7.229 -8.796 1.00 0.00 C ATOM 1490 O ASP A 97 10.108 6.557 -9.800 1.00 0.00 O ATOM 1491 CB ASP A 97 11.968 9.074 -8.491 1.00 0.00 C ATOM 1492 CG ASP A 97 12.960 8.882 -9.632 1.00 0.00 C ATOM 1493 OD1 ASP A 97 12.856 7.869 -10.355 1.00 0.00 O ATOM 1494 OD2 ASP A 97 13.907 9.694 -9.732 1.00 0.00 O ATOM 0 H ASP A 97 10.048 10.055 -7.353 1.00 0.00 H new ATOM 0 HA ASP A 97 10.335 9.073 -9.906 1.00 0.00 H new ATOM 0 HB2 ASP A 97 12.009 10.109 -8.151 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.265 8.449 -7.649 1.00 0.00 H new ATOM 1499 N SER A 98 10.409 6.717 -7.568 1.00 0.00 N ATOM 1500 CA SER A 98 10.284 5.312 -7.277 1.00 0.00 C ATOM 1501 C SER A 98 8.871 4.802 -7.596 1.00 0.00 C ATOM 1502 O SER A 98 8.708 3.657 -8.012 1.00 0.00 O ATOM 1503 CB SER A 98 10.646 5.033 -5.807 1.00 0.00 C ATOM 1504 OG SER A 98 10.691 6.202 -4.999 1.00 0.00 O ATOM 0 H SER A 98 10.562 7.290 -6.738 1.00 0.00 H new ATOM 0 HA SER A 98 10.984 4.771 -7.915 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.917 4.340 -5.388 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.616 4.537 -5.768 1.00 0.00 H new ATOM 0 HG SER A 98 9.836 6.677 -5.063 1.00 0.00 H new ATOM 1510 N TYR A 99 7.870 5.663 -7.383 1.00 0.00 N ATOM 1511 CA TYR A 99 6.445 5.369 -7.404 1.00 0.00 C ATOM 1512 C TYR A 99 5.929 5.077 -8.809 1.00 0.00 C ATOM 1513 O TYR A 99 5.077 4.203 -8.998 1.00 0.00 O ATOM 1514 CB TYR A 99 5.706 6.589 -6.849 1.00 0.00 C ATOM 1515 CG TYR A 99 4.262 6.313 -6.531 1.00 0.00 C ATOM 1516 CD1 TYR A 99 3.258 6.490 -7.501 1.00 0.00 C ATOM 1517 CD2 TYR A 99 3.929 5.885 -5.239 1.00 0.00 C ATOM 1518 CE1 TYR A 99 1.939 6.105 -7.224 1.00 0.00 C ATOM 1519 CE2 TYR A 99 2.596 5.599 -4.934 1.00 0.00 C ATOM 1520 CZ TYR A 99 1.601 5.646 -5.929 1.00 0.00 C ATOM 1521 OH TYR A 99 0.334 5.267 -5.616 1.00 0.00 O ATOM 0 H TYR A 99 8.052 6.646 -7.179 1.00 0.00 H new ATOM 0 HA TYR A 99 6.270 4.477 -6.803 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.211 6.932 -5.946 1.00 0.00 H new ATOM 0 HB3 TYR A 99 5.763 7.401 -7.574 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.504 6.923 -8.459 1.00 0.00 H new ATOM 0 HD2 TYR A 99 4.696 5.777 -4.486 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.185 6.158 -7.995 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.325 5.338 -3.922 1.00 0.00 H new ATOM 0 HH TYR A 99 0.300 4.982 -4.679 1.00 0.00 H new ATOM 1531 N HIS A 100 6.416 5.831 -9.794 1.00 0.00 N ATOM 1532 CA HIS A 100 6.058 5.625 -11.186 1.00 0.00 C ATOM 1533 C HIS A 100 6.547 4.248 -11.650 1.00 0.00 C ATOM 1534 O HIS A 100 5.841 3.527 -12.356 1.00 0.00 O ATOM 1535 CB HIS A 100 6.665 6.758 -12.027 1.00 0.00 C ATOM 1536 CG HIS A 100 6.120 8.132 -11.703 1.00 0.00 C ATOM 1537 ND1 HIS A 100 6.879 9.262 -11.491 1.00 0.00 N ATOM 1538 CD2 HIS A 100 4.803 8.481 -11.546 1.00 0.00 C ATOM 1539 CE1 HIS A 100 6.035 10.273 -11.230 1.00 0.00 C ATOM 1540 NE2 HIS A 100 4.763 9.853 -11.276 1.00 0.00 N ATOM 0 H HIS A 100 7.069 6.600 -9.644 1.00 0.00 H new ATOM 0 HA HIS A 100 4.975 5.646 -11.308 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.745 6.764 -11.882 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.487 6.548 -13.082 1.00 0.00 H new ATOM 0 HD2 HIS A 100 3.953 7.818 -11.618 1.00 0.00 H new ATOM 0 HE1 HIS A 100 6.339 11.286 -11.013 1.00 0.00 H new ATOM 0 HE2 HIS A 100 3.928 10.423 -11.140 1.00 0.00 H new ATOM 1548 N ARG A 101 7.764 3.868 -11.262 1.00 0.00 N ATOM 1549 CA ARG A 101 8.406 2.608 -11.638 1.00 0.00 C ATOM 1550 C ARG A 101 8.144 1.536 -10.577 1.00 0.00 C ATOM 1551 O ARG A 101 7.254 1.702 -9.745 1.00 0.00 O ATOM 1552 CB ARG A 101 9.883 2.883 -11.957 1.00 0.00 C ATOM 1553 CG ARG A 101 10.707 3.483 -10.819 1.00 0.00 C ATOM 1554 CD ARG A 101 11.846 4.328 -11.395 1.00 0.00 C ATOM 1555 NE ARG A 101 12.518 5.081 -10.336 1.00 0.00 N ATOM 1556 CZ ARG A 101 13.646 4.777 -9.696 1.00 0.00 C ATOM 1557 NH1 ARG A 101 14.359 3.721 -10.070 1.00 0.00 N ATOM 1558 NH2 ARG A 101 14.053 5.543 -8.694 1.00 0.00 N ATOM 0 H ARG A 101 8.349 4.446 -10.659 1.00 0.00 H new ATOM 0 HA ARG A 101 7.975 2.191 -12.548 1.00 0.00 H new ATOM 0 HB2 ARG A 101 10.349 1.947 -12.264 1.00 0.00 H new ATOM 0 HB3 ARG A 101 9.931 3.559 -12.811 1.00 0.00 H new ATOM 0 HG2 ARG A 101 10.071 4.098 -10.182 1.00 0.00 H new ATOM 0 HG3 ARG A 101 11.112 2.688 -10.192 1.00 0.00 H new ATOM 0 HD2 ARG A 101 12.564 3.683 -11.901 1.00 0.00 H new ATOM 0 HD3 ARG A 101 11.453 5.016 -12.144 1.00 0.00 H new ATOM 0 HE ARG A 101 12.065 5.949 -10.051 1.00 0.00 H new ATOM 0 HH11 ARG A 101 14.043 3.142 -10.848 1.00 0.00 H new ATOM 0 HH12 ARG A 101 15.223 3.489 -9.579 1.00 0.00 H new ATOM 0 HH21 ARG A 101 13.504 6.357 -8.419 1.00 0.00 H new ATOM 0 HH22 ARG A 101 14.915 5.318 -8.198 1.00 0.00 H new ATOM 1572 N ARG A 102 8.861 0.409 -10.625 1.00 0.00 N ATOM 1573 CA ARG A 102 8.729 -0.663 -9.638 1.00 0.00 C ATOM 1574 C ARG A 102 9.861 -0.587 -8.606 1.00 0.00 C ATOM 1575 O ARG A 102 10.467 -1.610 -8.277 1.00 0.00 O ATOM 1576 CB ARG A 102 8.642 -2.036 -10.337 1.00 0.00 C ATOM 1577 CG ARG A 102 7.968 -3.061 -9.428 1.00 0.00 C ATOM 1578 CD ARG A 102 8.728 -4.370 -9.364 1.00 0.00 C ATOM 1579 NE ARG A 102 9.006 -4.948 -10.681 1.00 0.00 N ATOM 1580 CZ ARG A 102 9.815 -5.979 -10.920 1.00 0.00 C ATOM 1581 NH1 ARG A 102 10.420 -6.630 -9.926 1.00 0.00 N ATOM 1582 NH2 ARG A 102 10.002 -6.329 -12.183 1.00 0.00 N ATOM 0 H ARG A 102 9.550 0.216 -11.352 1.00 0.00 H new ATOM 0 HA ARG A 102 7.796 -0.533 -9.089 1.00 0.00 H new ATOM 0 HB2 ARG A 102 8.081 -1.942 -11.267 1.00 0.00 H new ATOM 0 HB3 ARG A 102 9.642 -2.379 -10.602 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.878 -2.647 -8.424 1.00 0.00 H new ATOM 0 HG3 ARG A 102 6.956 -3.250 -9.786 1.00 0.00 H new ATOM 0 HD2 ARG A 102 9.670 -4.209 -8.840 1.00 0.00 H new ATOM 0 HD3 ARG A 102 8.154 -5.086 -8.775 1.00 0.00 H new ATOM 0 HE ARG A 102 8.540 -4.525 -11.484 1.00 0.00 H new ATOM 0 HH11 ARG A 102 10.267 -6.341 -8.960 1.00 0.00 H new ATOM 0 HH12 ARG A 102 11.035 -7.417 -10.132 1.00 0.00 H new ATOM 0 HH21 ARG A 102 9.534 -5.815 -12.929 1.00 0.00 H new ATOM 0 HH22 ARG A 102 10.614 -7.113 -12.410 1.00 0.00 H new ATOM 1596 N ASP A 103 10.246 0.609 -8.169 1.00 0.00 N ATOM 1597 CA ASP A 103 11.420 0.774 -7.314 1.00 0.00 C ATOM 1598 C ASP A 103 10.975 0.903 -5.861 1.00 0.00 C ATOM 1599 O ASP A 103 10.677 1.990 -5.366 1.00 0.00 O ATOM 1600 CB ASP A 103 12.319 1.907 -7.805 1.00 0.00 C ATOM 1601 CG ASP A 103 13.548 2.049 -6.907 1.00 0.00 C ATOM 1602 OD1 ASP A 103 14.062 1.006 -6.437 1.00 0.00 O ATOM 1603 OD2 ASP A 103 14.085 3.170 -6.802 1.00 0.00 O ATOM 0 H ASP A 103 9.763 1.479 -8.392 1.00 0.00 H new ATOM 0 HA ASP A 103 12.050 -0.114 -7.372 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.632 1.711 -8.830 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.760 2.843 -7.816 1.00 0.00 H new ATOM 1608 N PHE A 104 10.861 -0.246 -5.198 1.00 0.00 N ATOM 1609 CA PHE A 104 10.416 -0.411 -3.821 1.00 0.00 C ATOM 1610 C PHE A 104 11.359 -1.414 -3.153 1.00 0.00 C ATOM 1611 O PHE A 104 12.040 -2.171 -3.858 1.00 0.00 O ATOM 1612 CB PHE A 104 8.971 -0.951 -3.748 1.00 0.00 C ATOM 1613 CG PHE A 104 8.035 -0.711 -4.924 1.00 0.00 C ATOM 1614 CD1 PHE A 104 7.731 0.592 -5.363 1.00 0.00 C ATOM 1615 CD2 PHE A 104 7.445 -1.811 -5.573 1.00 0.00 C ATOM 1616 CE1 PHE A 104 6.855 0.790 -6.445 1.00 0.00 C ATOM 1617 CE2 PHE A 104 6.549 -1.614 -6.636 1.00 0.00 C ATOM 1618 CZ PHE A 104 6.248 -0.312 -7.070 1.00 0.00 C ATOM 0 H PHE A 104 11.091 -1.138 -5.636 1.00 0.00 H new ATOM 0 HA PHE A 104 10.431 0.557 -3.320 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.029 -2.028 -3.588 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.503 -0.522 -2.862 1.00 0.00 H new ATOM 0 HD1 PHE A 104 8.173 1.443 -4.866 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.683 -2.814 -5.251 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.649 1.790 -6.796 1.00 0.00 H new ATOM 0 HE2 PHE A 104 6.091 -2.464 -7.120 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.552 -0.159 -7.882 1.00 0.00 H new