USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 622 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 47 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 48 CYS SG : rot -8:sc= -0.187 USER MOD Set 2.1: A 14 SER OG : rot -118:sc= 0.281 USER MOD Set 2.2: A 17 ASN : amide:sc= 0.301 K(o=0.58,f=0.034) USER MOD Set 3.1: A 13 SER OG : rot 180:sc= -1.03 USER MOD Set 3.2: A 83 HIS : no HD1:sc= -0.0389 X(o=-1.1,f=-1) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -116:sc= -2.13! USER MOD Single : A 26 SER OG : rot 180:sc= 0.188 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 35 LYS NZ :NH3+ 173:sc= 0.0885 (180deg=0.0767) USER MOD Single : A 36 CYS SG : rot 21:sc= 1.14 USER MOD Single : A 37 LYS NZ :NH3+ 138:sc= -1.69 (180deg=-5.55!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -160:sc= -3.99! (180deg=-4.94!) USER MOD Single : A 54 TYR OH : rot -66:sc= 1.18 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 40:sc= 0.373 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.203 K(o=-0.2,f=-2.3!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 CYS SG : rot 140:sc= -5.05! USER MOD Single : A 87 HIS : no HD1:sc= -0.389 X(o=-0.39,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 0.734 -8.880 10.511 1.00 0.00 N ATOM 60 CA GLY A 7 0.708 -7.909 9.430 1.00 0.00 C ATOM 61 C GLY A 7 1.120 -6.523 9.929 1.00 0.00 C ATOM 62 O GLY A 7 1.707 -6.394 11.002 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.381 -8.228 8.634 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.293 -7.863 9.002 1.00 0.00 H new ATOM 66 N VAL A 8 0.795 -5.520 9.126 1.00 0.00 N ATOM 67 CA VAL A 8 1.124 -4.148 9.473 1.00 0.00 C ATOM 68 C VAL A 8 -0.004 -3.225 9.008 1.00 0.00 C ATOM 69 O VAL A 8 -0.490 -3.349 7.884 1.00 0.00 O ATOM 70 CB VAL A 8 2.485 -3.771 8.885 1.00 0.00 C ATOM 71 CG1 VAL A 8 3.608 -4.030 9.892 1.00 0.00 C ATOM 72 CG2 VAL A 8 2.742 -4.517 7.574 1.00 0.00 C ATOM 0 H VAL A 8 0.308 -5.630 8.237 1.00 0.00 H new ATOM 0 HA VAL A 8 1.210 -4.038 10.554 1.00 0.00 H new ATOM 0 HB VAL A 8 2.471 -2.703 8.666 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.565 -3.754 9.449 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.437 -3.434 10.788 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.623 -5.087 10.157 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.716 -4.231 7.177 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.726 -5.591 7.758 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.967 -4.261 6.852 1.00 0.00 H new ATOM 82 N MET A 9 -0.388 -2.319 9.895 1.00 0.00 N ATOM 83 CA MET A 9 -1.450 -1.375 9.589 1.00 0.00 C ATOM 84 C MET A 9 -0.879 -0.068 9.036 1.00 0.00 C ATOM 85 O MET A 9 -0.129 0.625 9.721 1.00 0.00 O ATOM 86 CB MET A 9 -2.255 -1.084 10.857 1.00 0.00 C ATOM 87 CG MET A 9 -3.342 -2.140 11.070 1.00 0.00 C ATOM 88 SD MET A 9 -3.500 -2.511 12.809 1.00 0.00 S ATOM 89 CE MET A 9 -4.929 -1.519 13.210 1.00 0.00 C ATOM 0 H MET A 9 0.017 -2.218 10.826 1.00 0.00 H new ATOM 0 HA MET A 9 -2.096 -1.817 8.831 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.588 -1.064 11.719 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.711 -0.097 10.784 1.00 0.00 H new ATOM 0 HG2 MET A 9 -4.293 -1.779 10.679 1.00 0.00 H new ATOM 0 HG3 MET A 9 -3.094 -3.046 10.517 1.00 0.00 H new ATOM 0 HE1 MET A 9 -5.167 -1.635 14.267 1.00 0.00 H new ATOM 0 HE2 MET A 9 -4.715 -0.471 12.999 1.00 0.00 H new ATOM 0 HE3 MET A 9 -5.778 -1.845 12.609 1.00 0.00 H new ATOM 99 N VAL A 10 -1.257 0.229 7.801 1.00 0.00 N ATOM 100 CA VAL A 10 -0.792 1.441 7.147 1.00 0.00 C ATOM 101 C VAL A 10 -1.997 2.244 6.655 1.00 0.00 C ATOM 102 O VAL A 10 -3.047 1.676 6.357 1.00 0.00 O ATOM 103 CB VAL A 10 0.190 1.088 6.027 1.00 0.00 C ATOM 104 CG1 VAL A 10 1.472 0.477 6.595 1.00 0.00 C ATOM 105 CG2 VAL A 10 -0.459 0.152 5.006 1.00 0.00 C ATOM 0 H VAL A 10 -1.880 -0.348 7.236 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.248 2.070 7.851 1.00 0.00 H new ATOM 0 HB VAL A 10 0.459 2.010 5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.153 0.235 5.779 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.949 1.191 7.266 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.229 -0.432 7.146 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.259 -0.084 4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.770 -0.768 5.502 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.329 0.640 4.567 1.00 0.00 H new ATOM 115 N PHE A 11 -1.806 3.553 6.584 1.00 0.00 N ATOM 116 CA PHE A 11 -2.865 4.441 6.133 1.00 0.00 C ATOM 117 C PHE A 11 -2.777 4.675 4.624 1.00 0.00 C ATOM 118 O PHE A 11 -1.943 5.450 4.160 1.00 0.00 O ATOM 119 CB PHE A 11 -2.669 5.774 6.857 1.00 0.00 C ATOM 120 CG PHE A 11 -3.141 5.768 8.312 1.00 0.00 C ATOM 121 CD1 PHE A 11 -2.424 5.103 9.257 1.00 0.00 C ATOM 122 CD2 PHE A 11 -4.279 6.427 8.661 1.00 0.00 C ATOM 123 CE1 PHE A 11 -2.862 5.097 10.607 1.00 0.00 C ATOM 124 CE2 PHE A 11 -4.717 6.421 10.012 1.00 0.00 C ATOM 125 CZ PHE A 11 -3.999 5.756 10.956 1.00 0.00 C ATOM 0 H PHE A 11 -0.934 4.021 6.831 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.838 4.001 6.349 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.612 6.038 6.830 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.206 6.552 6.315 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.521 4.579 8.980 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.849 6.955 7.911 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -2.292 4.569 11.357 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.620 6.944 10.289 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.332 5.751 11.983 1.00 0.00 H new ATOM 135 N ILE A 12 -3.651 3.991 3.899 1.00 0.00 N ATOM 136 CA ILE A 12 -3.683 4.116 2.452 1.00 0.00 C ATOM 137 C ILE A 12 -4.523 5.335 2.067 1.00 0.00 C ATOM 138 O ILE A 12 -5.635 5.510 2.565 1.00 0.00 O ATOM 139 CB ILE A 12 -4.164 2.811 1.813 1.00 0.00 C ATOM 140 CG1 ILE A 12 -3.418 1.609 2.394 1.00 0.00 C ATOM 141 CG2 ILE A 12 -4.052 2.874 0.288 1.00 0.00 C ATOM 142 CD1 ILE A 12 -2.048 1.441 1.732 1.00 0.00 C ATOM 0 H ILE A 12 -4.342 3.349 4.287 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.679 4.285 2.062 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.219 2.681 2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.293 1.739 3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.009 0.705 2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.400 1.935 -0.141 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.664 3.694 -0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.012 3.039 0.006 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.539 0.579 2.163 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.178 1.287 0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.451 2.337 1.900 1.00 0.00 H new ATOM 154 N SER A 13 -3.961 6.147 1.185 1.00 0.00 N ATOM 155 CA SER A 13 -4.644 7.345 0.728 1.00 0.00 C ATOM 156 C SER A 13 -4.626 7.407 -0.801 1.00 0.00 C ATOM 157 O SER A 13 -4.016 6.561 -1.453 1.00 0.00 O ATOM 158 CB SER A 13 -4.004 8.603 1.318 1.00 0.00 C ATOM 159 OG SER A 13 -2.585 8.496 1.393 1.00 0.00 O ATOM 0 H SER A 13 -3.039 5.999 0.774 1.00 0.00 H new ATOM 0 HA SER A 13 -5.678 7.301 1.071 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.271 9.466 0.707 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.407 8.781 2.315 1.00 0.00 H new ATOM 0 HG SER A 13 -2.214 9.320 1.773 1.00 0.00 H new ATOM 165 N SER A 14 -5.301 8.418 -1.328 1.00 0.00 N ATOM 166 CA SER A 14 -5.370 8.601 -2.768 1.00 0.00 C ATOM 167 C SER A 14 -5.745 10.049 -3.094 1.00 0.00 C ATOM 168 O SER A 14 -6.541 10.662 -2.385 1.00 0.00 O ATOM 169 CB SER A 14 -6.377 7.638 -3.399 1.00 0.00 C ATOM 170 OG SER A 14 -7.666 7.746 -2.801 1.00 0.00 O ATOM 0 H SER A 14 -5.805 9.119 -0.784 1.00 0.00 H new ATOM 0 HA SER A 14 -4.388 8.383 -3.187 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.454 7.843 -4.467 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.014 6.615 -3.296 1.00 0.00 H new ATOM 0 HG SER A 14 -7.907 6.891 -2.387 1.00 0.00 H new ATOM 176 N SER A 15 -5.153 10.553 -4.166 1.00 0.00 N ATOM 177 CA SER A 15 -5.414 11.916 -4.595 1.00 0.00 C ATOM 178 C SER A 15 -6.852 12.038 -5.102 1.00 0.00 C ATOM 179 O SER A 15 -7.382 13.143 -5.219 1.00 0.00 O ATOM 180 CB SER A 15 -4.429 12.351 -5.681 1.00 0.00 C ATOM 181 OG SER A 15 -3.915 13.659 -5.444 1.00 0.00 O ATOM 0 H SER A 15 -4.493 10.041 -4.751 1.00 0.00 H new ATOM 0 HA SER A 15 -5.280 12.576 -3.738 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.604 11.640 -5.727 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.925 12.327 -6.651 1.00 0.00 H new ATOM 0 HG SER A 15 -3.289 13.899 -6.159 1.00 0.00 H new ATOM 187 N LEU A 16 -7.444 10.889 -5.391 1.00 0.00 N ATOM 188 CA LEU A 16 -8.810 10.853 -5.884 1.00 0.00 C ATOM 189 C LEU A 16 -9.773 11.121 -4.725 1.00 0.00 C ATOM 190 O LEU A 16 -10.553 12.071 -4.769 1.00 0.00 O ATOM 191 CB LEU A 16 -9.082 9.537 -6.616 1.00 0.00 C ATOM 192 CG LEU A 16 -8.250 9.287 -7.876 1.00 0.00 C ATOM 193 CD1 LEU A 16 -7.759 7.839 -7.930 1.00 0.00 C ATOM 194 CD2 LEU A 16 -9.030 9.675 -9.134 1.00 0.00 C ATOM 0 H LEU A 16 -7.002 9.975 -5.293 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.969 11.640 -6.621 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.909 8.715 -5.921 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.137 9.507 -6.889 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.367 9.925 -7.835 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.170 7.688 -8.835 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.141 7.632 -7.056 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.615 7.165 -7.937 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.416 9.488 -10.015 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.942 9.081 -9.194 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.288 10.733 -9.090 1.00 0.00 H new ATOM 206 N ASN A 17 -9.686 10.267 -3.716 1.00 0.00 N ATOM 207 CA ASN A 17 -10.539 10.400 -2.547 1.00 0.00 C ATOM 208 C ASN A 17 -9.879 11.347 -1.543 1.00 0.00 C ATOM 209 O ASN A 17 -8.774 11.083 -1.070 1.00 0.00 O ATOM 210 CB ASN A 17 -10.745 9.050 -1.859 1.00 0.00 C ATOM 211 CG ASN A 17 -11.473 8.069 -2.780 1.00 0.00 C ATOM 212 OD1 ASN A 17 -12.685 8.087 -2.915 1.00 0.00 O ATOM 213 ND2 ASN A 17 -10.668 7.215 -3.406 1.00 0.00 N ATOM 0 H ASN A 17 -9.038 9.480 -3.684 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.503 10.788 -2.876 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.780 8.634 -1.570 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.320 9.189 -0.943 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.058 6.521 -4.044 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.661 7.254 -3.248 1.00 0.00 H new ATOM 220 N SER A 18 -10.582 12.430 -1.249 1.00 0.00 N ATOM 221 CA SER A 18 -10.078 13.418 -0.310 1.00 0.00 C ATOM 222 C SER A 18 -10.184 12.883 1.120 1.00 0.00 C ATOM 223 O SER A 18 -10.918 13.433 1.939 1.00 0.00 O ATOM 224 CB SER A 18 -10.837 14.740 -0.439 1.00 0.00 C ATOM 225 OG SER A 18 -10.926 15.173 -1.794 1.00 0.00 O ATOM 0 H SER A 18 -11.497 12.646 -1.644 1.00 0.00 H new ATOM 0 HA SER A 18 -9.030 13.608 -0.544 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.840 14.624 -0.029 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.336 15.505 0.154 1.00 0.00 H new ATOM 0 HG SER A 18 -11.419 16.019 -1.835 1.00 0.00 H new ATOM 231 N PHE A 19 -9.440 11.817 1.376 1.00 0.00 N ATOM 232 CA PHE A 19 -9.441 11.202 2.692 1.00 0.00 C ATOM 233 C PHE A 19 -8.527 9.976 2.725 1.00 0.00 C ATOM 234 O PHE A 19 -8.198 9.414 1.681 1.00 0.00 O ATOM 235 CB PHE A 19 -10.878 10.760 2.978 1.00 0.00 C ATOM 236 CG PHE A 19 -11.273 10.846 4.453 1.00 0.00 C ATOM 237 CD1 PHE A 19 -11.713 12.024 4.971 1.00 0.00 C ATOM 238 CD2 PHE A 19 -11.186 9.745 5.246 1.00 0.00 C ATOM 239 CE1 PHE A 19 -12.081 12.104 6.341 1.00 0.00 C ATOM 240 CE2 PHE A 19 -11.553 9.825 6.616 1.00 0.00 C ATOM 241 CZ PHE A 19 -11.993 11.003 7.134 1.00 0.00 C ATOM 0 H PHE A 19 -8.832 11.363 0.694 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.078 11.912 3.435 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -11.560 11.377 2.393 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.006 9.732 2.637 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.783 12.899 4.341 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.838 8.809 4.834 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -12.431 13.039 6.752 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.483 8.951 7.246 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.273 11.064 8.175 1.00 0.00 H new ATOM 251 N ARG A 20 -8.142 9.596 3.935 1.00 0.00 N ATOM 252 CA ARG A 20 -7.272 8.447 4.118 1.00 0.00 C ATOM 253 C ARG A 20 -8.082 7.238 4.591 1.00 0.00 C ATOM 254 O ARG A 20 -9.088 7.392 5.282 1.00 0.00 O ATOM 255 CB ARG A 20 -6.172 8.746 5.138 1.00 0.00 C ATOM 256 CG ARG A 20 -5.115 9.680 4.547 1.00 0.00 C ATOM 257 CD ARG A 20 -4.741 10.783 5.539 1.00 0.00 C ATOM 258 NE ARG A 20 -5.662 11.932 5.390 1.00 0.00 N ATOM 259 CZ ARG A 20 -5.634 13.023 6.168 1.00 0.00 C ATOM 260 NH1 ARG A 20 -4.731 13.120 7.153 1.00 0.00 N ATOM 261 NH2 ARG A 20 -6.509 14.016 5.960 1.00 0.00 N ATOM 0 H ARG A 20 -8.417 10.064 4.798 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.809 8.225 3.156 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.609 9.202 6.026 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.703 7.815 5.456 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.226 9.108 4.282 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.493 10.126 3.627 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.788 10.398 6.558 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.714 11.105 5.367 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.362 11.891 4.649 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.065 12.364 7.311 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.709 13.950 7.745 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.196 13.941 5.210 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.488 14.846 6.552 1.00 0.00 H new ATOM 275 N SER A 21 -7.613 6.062 4.199 1.00 0.00 N ATOM 276 CA SER A 21 -8.282 4.828 4.575 1.00 0.00 C ATOM 277 C SER A 21 -7.403 4.030 5.541 1.00 0.00 C ATOM 278 O SER A 21 -6.231 4.351 5.729 1.00 0.00 O ATOM 279 CB SER A 21 -8.615 3.985 3.342 1.00 0.00 C ATOM 280 OG SER A 21 -9.894 4.310 2.803 1.00 0.00 O ATOM 0 H SER A 21 -6.779 5.938 3.625 1.00 0.00 H new ATOM 0 HA SER A 21 -9.218 5.084 5.071 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.851 4.139 2.580 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.591 2.928 3.608 1.00 0.00 H new ATOM 0 HG SER A 21 -10.069 3.752 2.017 1.00 0.00 H new ATOM 286 N GLU A 22 -8.005 3.006 6.128 1.00 0.00 N ATOM 287 CA GLU A 22 -7.292 2.160 7.071 1.00 0.00 C ATOM 288 C GLU A 22 -7.334 0.701 6.612 1.00 0.00 C ATOM 289 O GLU A 22 -8.325 0.006 6.832 1.00 0.00 O ATOM 290 CB GLU A 22 -7.864 2.308 8.482 1.00 0.00 C ATOM 291 CG GLU A 22 -7.053 1.492 9.491 1.00 0.00 C ATOM 292 CD GLU A 22 -7.575 1.704 10.913 1.00 0.00 C ATOM 293 OE1 GLU A 22 -7.579 2.876 11.348 1.00 0.00 O ATOM 294 OE2 GLU A 22 -7.959 0.689 11.534 1.00 0.00 O ATOM 0 H GLU A 22 -8.978 2.743 5.969 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.251 2.481 7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.860 3.359 8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.903 1.978 8.494 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.105 0.434 9.234 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.003 1.781 9.438 1.00 0.00 H new ATOM 301 N LYS A 23 -6.247 0.280 5.982 1.00 0.00 N ATOM 302 CA LYS A 23 -6.148 -1.083 5.491 1.00 0.00 C ATOM 303 C LYS A 23 -4.902 -1.745 6.083 1.00 0.00 C ATOM 304 O LYS A 23 -4.127 -1.100 6.787 1.00 0.00 O ATOM 305 CB LYS A 23 -6.188 -1.106 3.961 1.00 0.00 C ATOM 306 CG LYS A 23 -7.624 -0.979 3.448 1.00 0.00 C ATOM 307 CD LYS A 23 -8.129 -2.313 2.896 1.00 0.00 C ATOM 308 CE LYS A 23 -9.146 -2.093 1.775 1.00 0.00 C ATOM 309 NZ LYS A 23 -10.330 -2.959 1.972 1.00 0.00 N ATOM 0 H LYS A 23 -5.427 0.859 5.801 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.007 -1.669 5.818 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.583 -0.290 3.566 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.748 -2.034 3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.275 -0.646 4.257 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.670 -0.218 2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.289 -2.896 2.520 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.586 -2.893 3.698 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.452 -1.047 1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.686 -2.310 0.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.010 -2.797 1.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.035 -3.956 1.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.778 -2.733 2.883 1.00 0.00 H new ATOM 323 N ARG A 24 -4.749 -3.025 5.776 1.00 0.00 N ATOM 324 CA ARG A 24 -3.610 -3.781 6.269 1.00 0.00 C ATOM 325 C ARG A 24 -3.058 -4.688 5.168 1.00 0.00 C ATOM 326 O ARG A 24 -3.814 -5.208 4.349 1.00 0.00 O ATOM 327 CB ARG A 24 -3.999 -4.637 7.477 1.00 0.00 C ATOM 328 CG ARG A 24 -2.874 -5.606 7.847 1.00 0.00 C ATOM 329 CD ARG A 24 -3.308 -6.544 8.975 1.00 0.00 C ATOM 330 NE ARG A 24 -2.998 -7.946 8.615 1.00 0.00 N ATOM 331 CZ ARG A 24 -3.750 -8.694 7.796 1.00 0.00 C ATOM 332 NH1 ARG A 24 -4.859 -8.180 7.247 1.00 0.00 N ATOM 333 NH2 ARG A 24 -3.392 -9.957 7.525 1.00 0.00 N ATOM 0 H ARG A 24 -5.394 -3.557 5.192 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.845 -3.067 6.574 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.223 -3.992 8.327 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.907 -5.197 7.253 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.590 -6.191 6.972 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.992 -5.044 8.155 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.796 -6.276 9.899 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.377 -6.435 9.159 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.160 -8.369 9.015 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.131 -7.219 7.452 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.431 -8.750 6.624 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.547 -10.348 7.942 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.964 -10.527 6.902 1.00 0.00 H new ATOM 347 N TYR A 25 -1.743 -4.849 5.182 1.00 0.00 N ATOM 348 CA TYR A 25 -1.080 -5.684 4.195 1.00 0.00 C ATOM 349 C TYR A 25 0.149 -6.372 4.794 1.00 0.00 C ATOM 350 O TYR A 25 0.800 -5.824 5.682 1.00 0.00 O ATOM 351 CB TYR A 25 -0.628 -4.740 3.079 1.00 0.00 C ATOM 352 CG TYR A 25 -1.732 -3.815 2.561 1.00 0.00 C ATOM 353 CD1 TYR A 25 -2.030 -2.650 3.238 1.00 0.00 C ATOM 354 CD2 TYR A 25 -2.429 -4.147 1.417 1.00 0.00 C ATOM 355 CE1 TYR A 25 -3.069 -1.781 2.751 1.00 0.00 C ATOM 356 CE2 TYR A 25 -3.468 -3.277 0.930 1.00 0.00 C ATOM 357 CZ TYR A 25 -3.737 -2.137 1.620 1.00 0.00 C ATOM 358 OH TYR A 25 -4.718 -1.315 1.160 1.00 0.00 O ATOM 0 H TYR A 25 -1.119 -4.415 5.862 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.754 -6.463 3.837 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.200 -4.132 3.444 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.245 -5.333 2.248 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.484 -2.390 4.133 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.195 -5.059 0.887 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.313 -0.867 3.272 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.021 -3.525 0.036 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.580 -1.780 1.198 1.00 0.00 H new ATOM 368 N SER A 26 0.429 -7.562 4.283 1.00 0.00 N ATOM 369 CA SER A 26 1.568 -8.330 4.756 1.00 0.00 C ATOM 370 C SER A 26 2.871 -7.669 4.299 1.00 0.00 C ATOM 371 O SER A 26 2.936 -7.106 3.207 1.00 0.00 O ATOM 372 CB SER A 26 1.503 -9.775 4.259 1.00 0.00 C ATOM 373 OG SER A 26 2.682 -10.505 4.584 1.00 0.00 O ATOM 0 H SER A 26 -0.113 -8.013 3.546 1.00 0.00 H new ATOM 0 HA SER A 26 1.540 -8.348 5.845 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.637 -10.271 4.698 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.360 -9.781 3.178 1.00 0.00 H new ATOM 0 HG SER A 26 2.600 -11.423 4.251 1.00 0.00 H new ATOM 379 N ARG A 27 3.876 -7.760 5.158 1.00 0.00 N ATOM 380 CA ARG A 27 5.173 -7.179 4.856 1.00 0.00 C ATOM 381 C ARG A 27 5.918 -8.044 3.838 1.00 0.00 C ATOM 382 O ARG A 27 7.037 -7.719 3.443 1.00 0.00 O ATOM 383 CB ARG A 27 6.023 -7.043 6.120 1.00 0.00 C ATOM 384 CG ARG A 27 5.544 -5.872 6.980 1.00 0.00 C ATOM 385 CD ARG A 27 6.556 -5.551 8.082 1.00 0.00 C ATOM 386 NE ARG A 27 6.808 -4.094 8.130 1.00 0.00 N ATOM 387 CZ ARG A 27 7.725 -3.515 8.916 1.00 0.00 C ATOM 388 NH1 ARG A 27 8.483 -4.267 9.726 1.00 0.00 N ATOM 389 NH2 ARG A 27 7.885 -2.185 8.893 1.00 0.00 N ATOM 0 H ARG A 27 3.818 -8.227 6.063 1.00 0.00 H new ATOM 0 HA ARG A 27 5.003 -6.187 4.438 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.973 -7.967 6.697 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.067 -6.894 5.846 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.393 -4.993 6.353 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.580 -6.115 7.426 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.178 -5.895 9.045 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.489 -6.084 7.897 1.00 0.00 H new ATOM 0 HE ARG A 27 6.248 -3.492 7.526 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.361 -5.280 9.744 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.182 -3.827 10.325 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.308 -1.613 8.277 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.584 -1.745 9.492 1.00 0.00 H new ATOM 403 N SER A 28 5.269 -9.129 3.443 1.00 0.00 N ATOM 404 CA SER A 28 5.857 -10.044 2.479 1.00 0.00 C ATOM 405 C SER A 28 5.200 -9.855 1.110 1.00 0.00 C ATOM 406 O SER A 28 5.518 -10.570 0.161 1.00 0.00 O ATOM 407 CB SER A 28 5.715 -11.496 2.940 1.00 0.00 C ATOM 408 OG SER A 28 6.978 -12.091 3.227 1.00 0.00 O ATOM 0 H SER A 28 4.341 -9.395 3.773 1.00 0.00 H new ATOM 0 HA SER A 28 6.921 -9.819 2.399 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.086 -11.534 3.829 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.209 -12.074 2.167 1.00 0.00 H new ATOM 0 HG SER A 28 6.845 -13.017 3.520 1.00 0.00 H new ATOM 414 N LEU A 29 4.295 -8.889 1.052 1.00 0.00 N ATOM 415 CA LEU A 29 3.590 -8.597 -0.185 1.00 0.00 C ATOM 416 C LEU A 29 4.506 -7.796 -1.112 1.00 0.00 C ATOM 417 O LEU A 29 4.990 -6.728 -0.740 1.00 0.00 O ATOM 418 CB LEU A 29 2.256 -7.908 0.109 1.00 0.00 C ATOM 419 CG LEU A 29 1.024 -8.815 0.136 1.00 0.00 C ATOM 420 CD1 LEU A 29 -0.225 -8.030 0.543 1.00 0.00 C ATOM 421 CD2 LEU A 29 0.840 -9.531 -1.203 1.00 0.00 C ATOM 0 H LEU A 29 4.034 -8.298 1.842 1.00 0.00 H new ATOM 0 HA LEU A 29 3.337 -9.520 -0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.334 -7.406 1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.096 -7.134 -0.642 1.00 0.00 H new ATOM 0 HG LEU A 29 1.182 -9.584 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.087 -8.698 0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.081 -7.607 1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.398 -7.226 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.043 -10.169 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.713 -8.794 -1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.718 -10.142 -1.413 1.00 0.00 H new ATOM 433 N THR A 30 4.716 -8.342 -2.300 1.00 0.00 N ATOM 434 CA THR A 30 5.565 -7.691 -3.283 1.00 0.00 C ATOM 435 C THR A 30 4.951 -6.360 -3.721 1.00 0.00 C ATOM 436 O THR A 30 3.779 -6.306 -4.094 1.00 0.00 O ATOM 437 CB THR A 30 5.785 -8.668 -4.440 1.00 0.00 C ATOM 438 OG1 THR A 30 4.468 -9.043 -4.833 1.00 0.00 O ATOM 439 CG2 THR A 30 6.425 -9.981 -3.983 1.00 0.00 C ATOM 0 H THR A 30 4.313 -9.228 -2.604 1.00 0.00 H new ATOM 0 HA THR A 30 6.538 -7.441 -2.860 1.00 0.00 H new ATOM 0 HB THR A 30 6.416 -8.200 -5.196 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.517 -9.675 -5.581 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.559 -10.639 -4.842 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.394 -9.775 -3.529 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.778 -10.466 -3.252 1.00 0.00 H new ATOM 447 N ILE A 31 5.768 -5.319 -3.662 1.00 0.00 N ATOM 448 CA ILE A 31 5.320 -3.992 -4.048 1.00 0.00 C ATOM 449 C ILE A 31 4.347 -4.109 -5.223 1.00 0.00 C ATOM 450 O ILE A 31 3.340 -3.404 -5.272 1.00 0.00 O ATOM 451 CB ILE A 31 6.517 -3.082 -4.329 1.00 0.00 C ATOM 452 CG1 ILE A 31 7.386 -2.917 -3.081 1.00 0.00 C ATOM 453 CG2 ILE A 31 6.062 -1.735 -4.894 1.00 0.00 C ATOM 454 CD1 ILE A 31 6.589 -2.282 -1.939 1.00 0.00 C ATOM 0 H ILE A 31 6.739 -5.368 -3.352 1.00 0.00 H new ATOM 0 HA ILE A 31 4.777 -3.520 -3.229 1.00 0.00 H new ATOM 0 HB ILE A 31 7.135 -3.557 -5.090 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.767 -3.889 -2.767 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.251 -2.296 -3.315 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.933 -1.108 -5.085 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.520 -1.896 -5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.409 -1.241 -4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.230 -2.176 -1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.230 -1.300 -2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.739 -2.917 -1.691 1.00 0.00 H new ATOM 466 N ALA A 32 4.681 -5.005 -6.140 1.00 0.00 N ATOM 467 CA ALA A 32 3.849 -5.223 -7.311 1.00 0.00 C ATOM 468 C ALA A 32 2.471 -5.718 -6.868 1.00 0.00 C ATOM 469 O ALA A 32 1.454 -5.107 -7.192 1.00 0.00 O ATOM 470 CB ALA A 32 4.545 -6.205 -8.256 1.00 0.00 C ATOM 0 H ALA A 32 5.516 -5.588 -6.096 1.00 0.00 H new ATOM 0 HA ALA A 32 3.704 -4.291 -7.857 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.921 -6.369 -9.135 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.506 -5.794 -8.565 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.704 -7.153 -7.742 1.00 0.00 H new ATOM 476 N GLU A 33 2.482 -6.820 -6.132 1.00 0.00 N ATOM 477 CA GLU A 33 1.245 -7.404 -5.641 1.00 0.00 C ATOM 478 C GLU A 33 0.477 -6.386 -4.795 1.00 0.00 C ATOM 479 O GLU A 33 -0.731 -6.223 -4.960 1.00 0.00 O ATOM 480 CB GLU A 33 1.520 -8.681 -4.845 1.00 0.00 C ATOM 481 CG GLU A 33 1.719 -9.877 -5.779 1.00 0.00 C ATOM 482 CD GLU A 33 0.425 -10.680 -5.923 1.00 0.00 C ATOM 483 OE1 GLU A 33 -0.603 -10.048 -6.248 1.00 0.00 O ATOM 484 OE2 GLU A 33 0.493 -11.909 -5.706 1.00 0.00 O ATOM 0 H GLU A 33 3.328 -7.324 -5.864 1.00 0.00 H new ATOM 0 HA GLU A 33 0.628 -7.675 -6.498 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.408 -8.545 -4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.689 -8.878 -4.168 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.046 -9.528 -6.759 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.509 -10.520 -5.390 1.00 0.00 H new ATOM 491 N PHE A 34 1.209 -5.728 -3.909 1.00 0.00 N ATOM 492 CA PHE A 34 0.612 -4.730 -3.038 1.00 0.00 C ATOM 493 C PHE A 34 -0.267 -3.763 -3.833 1.00 0.00 C ATOM 494 O PHE A 34 -1.424 -3.538 -3.482 1.00 0.00 O ATOM 495 CB PHE A 34 1.761 -3.948 -2.399 1.00 0.00 C ATOM 496 CG PHE A 34 1.309 -2.879 -1.402 1.00 0.00 C ATOM 497 CD1 PHE A 34 0.035 -2.890 -0.925 1.00 0.00 C ATOM 498 CD2 PHE A 34 2.180 -1.919 -0.992 1.00 0.00 C ATOM 499 CE1 PHE A 34 -0.385 -1.898 0.000 1.00 0.00 C ATOM 500 CE2 PHE A 34 1.760 -0.927 -0.067 1.00 0.00 C ATOM 501 CZ PHE A 34 0.486 -0.938 0.410 1.00 0.00 C ATOM 0 H PHE A 34 2.211 -5.866 -3.775 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.014 -5.217 -2.290 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.424 -4.648 -1.890 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.345 -3.472 -3.187 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.657 -3.653 -1.250 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.192 -1.911 -1.370 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.397 -1.906 0.378 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.452 -0.164 0.258 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.167 -0.184 1.114 1.00 0.00 H new ATOM 511 N LYS A 35 0.316 -3.216 -4.889 1.00 0.00 N ATOM 512 CA LYS A 35 -0.399 -2.278 -5.738 1.00 0.00 C ATOM 513 C LYS A 35 -1.690 -2.930 -6.236 1.00 0.00 C ATOM 514 O LYS A 35 -2.719 -2.267 -6.355 1.00 0.00 O ATOM 515 CB LYS A 35 0.508 -1.772 -6.861 1.00 0.00 C ATOM 516 CG LYS A 35 1.782 -1.143 -6.295 1.00 0.00 C ATOM 517 CD LYS A 35 2.939 -1.258 -7.290 1.00 0.00 C ATOM 518 CE LYS A 35 3.714 0.058 -7.385 1.00 0.00 C ATOM 519 NZ LYS A 35 3.466 0.712 -8.689 1.00 0.00 N ATOM 0 H LYS A 35 1.276 -3.404 -5.177 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.687 -1.393 -5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.769 -2.598 -7.523 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.028 -1.038 -7.463 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.601 -0.094 -6.062 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.051 -1.636 -5.361 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.611 -2.058 -6.981 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.553 -1.528 -8.273 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.414 0.723 -6.575 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.780 -0.131 -7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.902 1.656 -8.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.880 0.137 -9.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.441 0.803 -8.842 1.00 0.00 H new ATOM 533 N CYS A 36 -1.593 -4.222 -6.515 1.00 0.00 N ATOM 534 CA CYS A 36 -2.740 -4.972 -6.998 1.00 0.00 C ATOM 535 C CYS A 36 -3.811 -4.969 -5.905 1.00 0.00 C ATOM 536 O CYS A 36 -5.004 -5.017 -6.199 1.00 0.00 O ATOM 537 CB CYS A 36 -2.353 -6.392 -7.415 1.00 0.00 C ATOM 538 SG CYS A 36 -3.208 -6.843 -8.969 1.00 0.00 S ATOM 0 H CYS A 36 -0.737 -4.768 -6.416 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.137 -4.497 -7.895 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.274 -6.458 -7.552 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.618 -7.096 -6.627 1.00 0.00 H new ATOM 0 HG CYS A 36 -3.586 -5.763 -9.585 1.00 0.00 H new ATOM 544 N LYS A 37 -3.346 -4.913 -4.666 1.00 0.00 N ATOM 545 CA LYS A 37 -4.248 -4.904 -3.527 1.00 0.00 C ATOM 546 C LYS A 37 -4.887 -3.520 -3.399 1.00 0.00 C ATOM 547 O LYS A 37 -6.026 -3.397 -2.952 1.00 0.00 O ATOM 548 CB LYS A 37 -3.520 -5.364 -2.262 1.00 0.00 C ATOM 549 CG LYS A 37 -3.453 -6.891 -2.193 1.00 0.00 C ATOM 550 CD LYS A 37 -2.033 -7.391 -2.467 1.00 0.00 C ATOM 551 CE LYS A 37 -2.038 -8.512 -3.508 1.00 0.00 C ATOM 552 NZ LYS A 37 -1.671 -9.802 -2.883 1.00 0.00 N ATOM 0 H LYS A 37 -2.356 -4.873 -4.426 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.058 -5.618 -3.678 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.511 -4.951 -2.248 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.034 -4.979 -1.382 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.778 -7.229 -1.209 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.141 -7.322 -2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.415 -6.565 -2.819 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.586 -7.752 -1.541 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.026 -8.590 -3.963 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.336 -8.276 -4.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.287 -10.554 -3.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.680 -10.026 -3.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.787 -9.734 -1.852 1.00 0.00 H new ATOM 566 N LEU A 38 -4.126 -2.513 -3.801 1.00 0.00 N ATOM 567 CA LEU A 38 -4.604 -1.142 -3.737 1.00 0.00 C ATOM 568 C LEU A 38 -5.578 -0.892 -4.891 1.00 0.00 C ATOM 569 O LEU A 38 -6.461 -0.041 -4.789 1.00 0.00 O ATOM 570 CB LEU A 38 -3.427 -0.165 -3.703 1.00 0.00 C ATOM 571 CG LEU A 38 -2.284 -0.525 -2.751 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.258 0.607 -2.674 1.00 0.00 C ATOM 573 CD2 LEU A 38 -2.821 -0.908 -1.371 1.00 0.00 C ATOM 0 H LEU A 38 -3.182 -2.619 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.155 -0.973 -2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.021 -0.081 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.806 0.820 -3.429 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.769 -1.399 -3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.456 0.326 -1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.843 0.790 -3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.743 1.513 -2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.989 -1.159 -0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.375 -0.069 -0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.483 -1.769 -1.464 1.00 0.00 H new ATOM 585 N GLU A 39 -5.383 -1.648 -5.962 1.00 0.00 N ATOM 586 CA GLU A 39 -6.233 -1.518 -7.133 1.00 0.00 C ATOM 587 C GLU A 39 -7.705 -1.461 -6.718 1.00 0.00 C ATOM 588 O GLU A 39 -8.499 -0.749 -7.330 1.00 0.00 O ATOM 589 CB GLU A 39 -5.986 -2.662 -8.119 1.00 0.00 C ATOM 590 CG GLU A 39 -4.683 -2.447 -8.892 1.00 0.00 C ATOM 591 CD GLU A 39 -4.569 -3.430 -10.059 1.00 0.00 C ATOM 592 OE1 GLU A 39 -5.413 -3.322 -10.975 1.00 0.00 O ATOM 593 OE2 GLU A 39 -3.642 -4.266 -10.009 1.00 0.00 O ATOM 0 H GLU A 39 -4.649 -2.352 -6.043 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.982 -0.585 -7.638 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.941 -3.608 -7.580 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.820 -2.732 -8.817 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.643 -1.425 -9.268 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.833 -2.573 -8.221 1.00 0.00 H new ATOM 600 N LEU A 40 -8.024 -2.221 -5.681 1.00 0.00 N ATOM 601 CA LEU A 40 -9.386 -2.266 -5.176 1.00 0.00 C ATOM 602 C LEU A 40 -9.579 -1.156 -4.142 1.00 0.00 C ATOM 603 O LEU A 40 -10.682 -0.635 -3.984 1.00 0.00 O ATOM 604 CB LEU A 40 -9.715 -3.664 -4.647 1.00 0.00 C ATOM 605 CG LEU A 40 -9.681 -4.796 -5.676 1.00 0.00 C ATOM 606 CD1 LEU A 40 -8.653 -5.859 -5.287 1.00 0.00 C ATOM 607 CD2 LEU A 40 -11.075 -5.393 -5.880 1.00 0.00 C ATOM 0 H LEU A 40 -7.362 -2.811 -5.176 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.097 -2.079 -5.981 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.012 -3.904 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.708 -3.637 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.366 -4.379 -6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.649 -6.652 -6.035 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.663 -5.406 -5.234 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.913 -6.278 -4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.023 -6.195 -6.616 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.442 -5.791 -4.934 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.754 -4.618 -6.235 1.00 0.00 H new ATOM 619 N VAL A 41 -8.489 -0.826 -3.464 1.00 0.00 N ATOM 620 CA VAL A 41 -8.525 0.213 -2.449 1.00 0.00 C ATOM 621 C VAL A 41 -8.954 1.533 -3.092 1.00 0.00 C ATOM 622 O VAL A 41 -9.750 2.276 -2.520 1.00 0.00 O ATOM 623 CB VAL A 41 -7.169 0.304 -1.745 1.00 0.00 C ATOM 624 CG1 VAL A 41 -7.141 1.473 -0.759 1.00 0.00 C ATOM 625 CG2 VAL A 41 -6.826 -1.013 -1.045 1.00 0.00 C ATOM 0 H VAL A 41 -7.576 -1.260 -3.598 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.260 -0.029 -1.681 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.408 0.488 -2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.167 1.515 -0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.320 2.405 -1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.917 1.333 -0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.858 -0.922 -0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.591 -1.240 -0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.785 -1.816 -1.781 1.00 0.00 H new ATOM 635 N VAL A 42 -8.408 1.785 -4.273 1.00 0.00 N ATOM 636 CA VAL A 42 -8.724 3.002 -4.999 1.00 0.00 C ATOM 637 C VAL A 42 -9.628 2.663 -6.186 1.00 0.00 C ATOM 638 O VAL A 42 -10.297 3.539 -6.733 1.00 0.00 O ATOM 639 CB VAL A 42 -7.435 3.714 -5.414 1.00 0.00 C ATOM 640 CG1 VAL A 42 -6.902 4.590 -4.278 1.00 0.00 C ATOM 641 CG2 VAL A 42 -6.377 2.709 -5.874 1.00 0.00 C ATOM 0 H VAL A 42 -7.748 1.166 -4.745 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.272 3.695 -4.361 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.668 4.364 -6.257 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.985 5.085 -4.599 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.648 5.341 -4.017 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.693 3.969 -3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.471 3.241 -6.163 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.149 2.022 -5.059 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.756 2.147 -6.728 1.00 0.00 H new ATOM 651 N GLY A 43 -9.619 1.389 -6.550 1.00 0.00 N ATOM 652 CA GLY A 43 -10.430 0.922 -7.662 1.00 0.00 C ATOM 653 C GLY A 43 -9.757 1.235 -9.000 1.00 0.00 C ATOM 654 O GLY A 43 -10.318 0.960 -10.060 1.00 0.00 O ATOM 0 H GLY A 43 -9.063 0.665 -6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.590 -0.153 -7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.411 1.395 -7.625 1.00 0.00 H new ATOM 658 N SER A 44 -8.565 1.805 -8.907 1.00 0.00 N ATOM 659 CA SER A 44 -7.810 2.158 -10.098 1.00 0.00 C ATOM 660 C SER A 44 -6.758 1.085 -10.387 1.00 0.00 C ATOM 661 O SER A 44 -6.466 0.250 -9.533 1.00 0.00 O ATOM 662 CB SER A 44 -7.143 3.526 -9.941 1.00 0.00 C ATOM 663 OG SER A 44 -7.818 4.343 -8.989 1.00 0.00 O ATOM 0 H SER A 44 -8.103 2.031 -8.026 1.00 0.00 H new ATOM 0 HA SER A 44 -8.502 2.215 -10.938 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.106 3.391 -9.632 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.125 4.033 -10.906 1.00 0.00 H new ATOM 0 HG SER A 44 -7.361 5.207 -8.916 1.00 0.00 H new ATOM 669 N PRO A 45 -6.202 1.145 -11.627 1.00 0.00 N ATOM 670 CA PRO A 45 -5.189 0.189 -12.040 1.00 0.00 C ATOM 671 C PRO A 45 -3.842 0.500 -11.384 1.00 0.00 C ATOM 672 O PRO A 45 -3.407 1.650 -11.365 1.00 0.00 O ATOM 673 CB PRO A 45 -5.148 0.289 -13.556 1.00 0.00 C ATOM 674 CG PRO A 45 -5.800 1.618 -13.904 1.00 0.00 C ATOM 675 CD PRO A 45 -6.523 2.121 -12.665 1.00 0.00 C ATOM 0 HA PRO A 45 -5.420 -0.829 -11.727 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.122 0.249 -13.922 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.683 -0.541 -14.017 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.049 2.339 -14.227 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.500 1.495 -14.731 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.186 3.120 -12.388 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.598 2.183 -12.832 1.00 0.00 H new ATOM 683 N ALA A 46 -3.219 -0.547 -10.861 1.00 0.00 N ATOM 684 CA ALA A 46 -1.931 -0.400 -10.206 1.00 0.00 C ATOM 685 C ALA A 46 -0.870 -0.043 -11.249 1.00 0.00 C ATOM 686 O ALA A 46 0.180 0.500 -10.911 1.00 0.00 O ATOM 687 CB ALA A 46 -1.594 -1.686 -9.448 1.00 0.00 C ATOM 0 H ALA A 46 -3.583 -1.500 -10.878 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.962 0.410 -9.477 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.627 -1.576 -8.956 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.362 -1.879 -8.699 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.552 -2.521 -10.148 1.00 0.00 H new ATOM 693 N SER A 47 -1.182 -0.363 -12.497 1.00 0.00 N ATOM 694 CA SER A 47 -0.269 -0.083 -13.592 1.00 0.00 C ATOM 695 C SER A 47 -0.340 1.398 -13.966 1.00 0.00 C ATOM 696 O SER A 47 0.350 1.844 -14.882 1.00 0.00 O ATOM 697 CB SER A 47 -0.585 -0.954 -14.809 1.00 0.00 C ATOM 698 OG SER A 47 -1.791 -0.554 -15.453 1.00 0.00 O ATOM 0 H SER A 47 -2.054 -0.813 -12.774 1.00 0.00 H new ATOM 0 HA SER A 47 0.743 -0.320 -13.263 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.241 -0.899 -15.519 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.668 -1.995 -14.498 1.00 0.00 H new ATOM 0 HG SER A 47 -1.957 -1.133 -16.226 1.00 0.00 H new ATOM 704 N CYS A 48 -1.180 2.120 -13.240 1.00 0.00 N ATOM 705 CA CYS A 48 -1.350 3.542 -13.484 1.00 0.00 C ATOM 706 C CYS A 48 -1.470 4.251 -12.134 1.00 0.00 C ATOM 707 O CYS A 48 -2.128 5.285 -12.028 1.00 0.00 O ATOM 708 CB CYS A 48 -2.555 3.821 -14.385 1.00 0.00 C ATOM 709 SG CYS A 48 -2.365 2.937 -15.976 1.00 0.00 S ATOM 0 H CYS A 48 -1.751 1.746 -12.482 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.482 3.928 -14.019 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.472 3.502 -13.889 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.646 4.892 -14.563 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.177 2.413 -16.042 1.00 0.00 H new ATOM 715 N MET A 49 -0.826 3.666 -11.135 1.00 0.00 N ATOM 716 CA MET A 49 -0.853 4.229 -9.795 1.00 0.00 C ATOM 717 C MET A 49 0.470 3.977 -9.068 1.00 0.00 C ATOM 718 O MET A 49 0.938 2.842 -8.999 1.00 0.00 O ATOM 719 CB MET A 49 -2.000 3.601 -9.001 1.00 0.00 C ATOM 720 CG MET A 49 -1.468 2.799 -7.811 1.00 0.00 C ATOM 721 SD MET A 49 -2.820 2.303 -6.757 1.00 0.00 S ATOM 722 CE MET A 49 -3.613 1.103 -7.813 1.00 0.00 C ATOM 0 H MET A 49 -0.282 2.808 -11.226 1.00 0.00 H new ATOM 0 HA MET A 49 -1.002 5.306 -9.876 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.672 4.382 -8.646 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.584 2.950 -9.652 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.931 1.919 -8.166 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.757 3.401 -7.245 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.642 0.954 -7.486 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.608 1.464 -8.842 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.074 0.157 -7.757 1.00 0.00 H new ATOM 732 N GLU A 50 1.035 5.055 -8.545 1.00 0.00 N ATOM 733 CA GLU A 50 2.294 4.966 -7.826 1.00 0.00 C ATOM 734 C GLU A 50 2.039 4.844 -6.322 1.00 0.00 C ATOM 735 O GLU A 50 0.900 4.952 -5.871 1.00 0.00 O ATOM 736 CB GLU A 50 3.189 6.168 -8.134 1.00 0.00 C ATOM 737 CG GLU A 50 4.540 5.716 -8.693 1.00 0.00 C ATOM 738 CD GLU A 50 4.355 4.826 -9.923 1.00 0.00 C ATOM 739 OE1 GLU A 50 4.223 5.400 -11.025 1.00 0.00 O ATOM 740 OE2 GLU A 50 4.349 3.590 -9.733 1.00 0.00 O ATOM 0 H GLU A 50 0.644 5.995 -8.605 1.00 0.00 H new ATOM 0 HA GLU A 50 2.817 4.070 -8.160 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.694 6.820 -8.853 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.344 6.753 -7.227 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.138 6.588 -8.957 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.091 5.172 -7.926 1.00 0.00 H new ATOM 747 N LEU A 51 3.119 4.620 -5.587 1.00 0.00 N ATOM 748 CA LEU A 51 3.026 4.482 -4.143 1.00 0.00 C ATOM 749 C LEU A 51 3.976 5.480 -3.478 1.00 0.00 C ATOM 750 O LEU A 51 4.984 5.869 -4.066 1.00 0.00 O ATOM 751 CB LEU A 51 3.269 3.030 -3.727 1.00 0.00 C ATOM 752 CG LEU A 51 2.332 1.990 -4.343 1.00 0.00 C ATOM 753 CD1 LEU A 51 2.703 0.578 -3.886 1.00 0.00 C ATOM 754 CD2 LEU A 51 0.869 2.323 -4.042 1.00 0.00 C ATOM 0 H LEU A 51 4.062 4.531 -5.964 1.00 0.00 H new ATOM 0 HA LEU A 51 2.020 4.723 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.294 2.765 -3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.188 2.965 -2.642 1.00 0.00 H new ATOM 0 HG LEU A 51 2.454 2.021 -5.426 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.021 -0.142 -4.339 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.724 0.353 -4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.628 0.516 -2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.224 1.568 -4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.714 2.337 -2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.626 3.301 -4.457 1.00 0.00 H new ATOM 766 N GLU A 52 3.621 5.866 -2.262 1.00 0.00 N ATOM 767 CA GLU A 52 4.429 6.811 -1.510 1.00 0.00 C ATOM 768 C GLU A 52 4.538 6.372 -0.049 1.00 0.00 C ATOM 769 O GLU A 52 3.593 5.816 0.508 1.00 0.00 O ATOM 770 CB GLU A 52 3.858 8.227 -1.616 1.00 0.00 C ATOM 771 CG GLU A 52 4.027 8.782 -3.032 1.00 0.00 C ATOM 772 CD GLU A 52 4.854 10.069 -3.022 1.00 0.00 C ATOM 773 OE1 GLU A 52 4.618 10.887 -2.107 1.00 0.00 O ATOM 774 OE2 GLU A 52 5.703 10.205 -3.929 1.00 0.00 O ATOM 0 H GLU A 52 2.784 5.541 -1.778 1.00 0.00 H new ATOM 0 HA GLU A 52 5.430 6.825 -1.940 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.801 8.218 -1.349 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.361 8.880 -0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.514 8.038 -3.662 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.048 8.978 -3.469 1.00 0.00 H new ATOM 781 N LEU A 53 5.700 6.638 0.531 1.00 0.00 N ATOM 782 CA LEU A 53 5.945 6.277 1.917 1.00 0.00 C ATOM 783 C LEU A 53 6.245 7.543 2.723 1.00 0.00 C ATOM 784 O LEU A 53 7.281 8.176 2.529 1.00 0.00 O ATOM 785 CB LEU A 53 7.042 5.215 2.008 1.00 0.00 C ATOM 786 CG LEU A 53 7.657 5.004 3.392 1.00 0.00 C ATOM 787 CD1 LEU A 53 6.588 4.608 4.413 1.00 0.00 C ATOM 788 CD2 LEU A 53 8.800 3.988 3.335 1.00 0.00 C ATOM 0 H LEU A 53 6.482 7.099 0.066 1.00 0.00 H new ATOM 0 HA LEU A 53 5.057 5.822 2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.630 4.265 1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.839 5.484 1.315 1.00 0.00 H new ATOM 0 HG LEU A 53 8.084 5.950 3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.052 4.464 5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.839 5.397 4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.110 3.680 4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.220 3.856 4.332 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.420 3.033 2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.575 4.350 2.660 1.00 0.00 H new ATOM 800 N TYR A 54 5.319 7.873 3.611 1.00 0.00 N ATOM 801 CA TYR A 54 5.471 9.051 4.448 1.00 0.00 C ATOM 802 C TYR A 54 5.808 8.661 5.888 1.00 0.00 C ATOM 803 O TYR A 54 5.428 7.586 6.349 1.00 0.00 O ATOM 804 CB TYR A 54 4.116 9.761 4.428 1.00 0.00 C ATOM 805 CG TYR A 54 3.789 10.442 3.098 1.00 0.00 C ATOM 806 CD1 TYR A 54 3.353 9.690 2.026 1.00 0.00 C ATOM 807 CD2 TYR A 54 3.930 11.809 2.970 1.00 0.00 C ATOM 808 CE1 TYR A 54 3.045 10.331 0.774 1.00 0.00 C ATOM 809 CE2 TYR A 54 3.622 12.450 1.718 1.00 0.00 C ATOM 810 CZ TYR A 54 3.195 11.679 0.682 1.00 0.00 C ATOM 811 OH TYR A 54 2.905 12.285 -0.501 1.00 0.00 O ATOM 0 H TYR A 54 4.461 7.345 3.769 1.00 0.00 H new ATOM 0 HA TYR A 54 6.279 9.682 4.078 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.334 9.036 4.655 1.00 0.00 H new ATOM 0 HB3 TYR A 54 4.097 10.508 5.221 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.243 8.620 2.126 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.271 12.398 3.809 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.703 9.754 -0.072 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.728 13.519 1.604 1.00 0.00 H new ATOM 0 HH TYR A 54 3.547 11.996 -1.183 1.00 0.00 H new ATOM 821 N GLY A 55 6.519 9.556 6.559 1.00 0.00 N ATOM 822 CA GLY A 55 6.912 9.318 7.938 1.00 0.00 C ATOM 823 C GLY A 55 5.686 9.218 8.848 1.00 0.00 C ATOM 824 O GLY A 55 4.724 8.522 8.525 1.00 0.00 O ATOM 0 H GLY A 55 6.833 10.447 6.174 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.492 8.397 8.001 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.559 10.126 8.280 1.00 0.00 H new ATOM 828 N ALA A 56 5.761 9.922 9.967 1.00 0.00 N ATOM 829 CA ALA A 56 4.669 9.921 10.926 1.00 0.00 C ATOM 830 C ALA A 56 3.732 11.093 10.628 1.00 0.00 C ATOM 831 O ALA A 56 2.619 10.895 10.144 1.00 0.00 O ATOM 832 CB ALA A 56 5.237 9.975 12.346 1.00 0.00 C ATOM 0 H ALA A 56 6.561 10.497 10.232 1.00 0.00 H new ATOM 0 HA ALA A 56 4.086 9.004 10.842 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.418 9.974 13.066 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.872 9.105 12.517 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.826 10.884 12.468 1.00 0.00 H new ATOM 838 N ASP A 57 4.218 12.289 10.928 1.00 0.00 N ATOM 839 CA ASP A 57 3.438 13.493 10.698 1.00 0.00 C ATOM 840 C ASP A 57 3.016 13.549 9.229 1.00 0.00 C ATOM 841 O ASP A 57 1.840 13.741 8.924 1.00 0.00 O ATOM 842 CB ASP A 57 4.259 14.747 11.002 1.00 0.00 C ATOM 843 CG ASP A 57 3.503 15.851 11.744 1.00 0.00 C ATOM 844 OD1 ASP A 57 3.006 15.553 12.852 1.00 0.00 O ATOM 845 OD2 ASP A 57 3.439 16.968 11.187 1.00 0.00 O ATOM 0 H ASP A 57 5.142 12.450 11.328 1.00 0.00 H new ATOM 0 HA ASP A 57 2.569 13.463 11.355 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.127 14.460 11.596 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.635 15.153 10.063 1.00 0.00 H new ATOM 850 N ASP A 58 3.999 13.377 8.357 1.00 0.00 N ATOM 851 CA ASP A 58 3.744 13.405 6.927 1.00 0.00 C ATOM 852 C ASP A 58 5.026 13.803 6.192 1.00 0.00 C ATOM 853 O ASP A 58 5.000 14.661 5.311 1.00 0.00 O ATOM 854 CB ASP A 58 2.663 14.431 6.580 1.00 0.00 C ATOM 855 CG ASP A 58 2.707 15.720 7.404 1.00 0.00 C ATOM 856 OD1 ASP A 58 3.747 15.938 8.062 1.00 0.00 O ATOM 857 OD2 ASP A 58 1.699 16.458 7.357 1.00 0.00 O ATOM 0 H ASP A 58 4.973 13.218 8.614 1.00 0.00 H new ATOM 0 HA ASP A 58 3.410 12.412 6.625 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.753 14.689 5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.686 13.966 6.712 1.00 0.00 H new ATOM 862 N LYS A 59 6.117 13.160 6.582 1.00 0.00 N ATOM 863 CA LYS A 59 7.406 13.435 5.972 1.00 0.00 C ATOM 864 C LYS A 59 7.703 12.370 4.915 1.00 0.00 C ATOM 865 O LYS A 59 7.859 11.194 5.239 1.00 0.00 O ATOM 866 CB LYS A 59 8.491 13.557 7.044 1.00 0.00 C ATOM 867 CG LYS A 59 9.874 13.259 6.461 1.00 0.00 C ATOM 868 CD LYS A 59 10.970 13.488 7.504 1.00 0.00 C ATOM 869 CE LYS A 59 12.305 12.907 7.033 1.00 0.00 C ATOM 870 NZ LYS A 59 13.431 13.737 7.515 1.00 0.00 N ATOM 0 H LYS A 59 6.134 12.449 7.313 1.00 0.00 H new ATOM 0 HA LYS A 59 7.387 14.397 5.459 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.479 14.562 7.466 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.280 12.866 7.860 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.910 12.227 6.111 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.052 13.896 5.595 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.080 14.556 7.692 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.681 13.026 8.448 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.414 11.887 7.401 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.323 12.857 5.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.329 13.328 7.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.334 14.703 7.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.423 13.763 8.555 1.00 0.00 H new ATOM 884 N PHE A 60 7.773 12.821 3.671 1.00 0.00 N ATOM 885 CA PHE A 60 8.049 11.921 2.563 1.00 0.00 C ATOM 886 C PHE A 60 9.402 11.230 2.742 1.00 0.00 C ATOM 887 O PHE A 60 10.416 11.891 2.965 1.00 0.00 O ATOM 888 CB PHE A 60 8.089 12.774 1.294 1.00 0.00 C ATOM 889 CG PHE A 60 8.498 12.002 0.038 1.00 0.00 C ATOM 890 CD1 PHE A 60 7.639 11.107 -0.521 1.00 0.00 C ATOM 891 CD2 PHE A 60 9.721 12.209 -0.520 1.00 0.00 C ATOM 892 CE1 PHE A 60 8.019 10.390 -1.686 1.00 0.00 C ATOM 893 CE2 PHE A 60 10.101 11.492 -1.686 1.00 0.00 C ATOM 894 CZ PHE A 60 9.242 10.598 -2.244 1.00 0.00 C ATOM 0 H PHE A 60 7.643 13.797 3.406 1.00 0.00 H new ATOM 0 HA PHE A 60 7.281 11.149 2.510 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.105 13.214 1.133 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.786 13.598 1.444 1.00 0.00 H new ATOM 0 HD1 PHE A 60 6.668 10.942 -0.078 1.00 0.00 H new ATOM 0 HD2 PHE A 60 10.404 12.919 -0.076 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.337 9.679 -2.129 1.00 0.00 H new ATOM 0 HE2 PHE A 60 11.072 11.657 -2.129 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.531 10.053 -3.130 1.00 0.00 H new ATOM 904 N TYR A 61 9.375 9.910 2.637 1.00 0.00 N ATOM 905 CA TYR A 61 10.587 9.122 2.784 1.00 0.00 C ATOM 906 C TYR A 61 11.058 8.583 1.432 1.00 0.00 C ATOM 907 O TYR A 61 12.153 8.911 0.977 1.00 0.00 O ATOM 908 CB TYR A 61 10.217 7.944 3.688 1.00 0.00 C ATOM 909 CG TYR A 61 10.333 8.247 5.184 1.00 0.00 C ATOM 910 CD1 TYR A 61 10.474 9.550 5.615 1.00 0.00 C ATOM 911 CD2 TYR A 61 10.298 7.216 6.101 1.00 0.00 C ATOM 912 CE1 TYR A 61 10.584 9.835 7.022 1.00 0.00 C ATOM 913 CE2 TYR A 61 10.407 7.501 7.508 1.00 0.00 C ATOM 914 CZ TYR A 61 10.545 8.796 7.899 1.00 0.00 C ATOM 915 OH TYR A 61 10.648 9.065 9.229 1.00 0.00 O ATOM 0 H TYR A 61 8.532 9.366 2.452 1.00 0.00 H new ATOM 0 HA TYR A 61 11.392 9.730 3.197 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.194 7.638 3.468 1.00 0.00 H new ATOM 0 HB3 TYR A 61 10.862 7.099 3.448 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.502 10.356 4.897 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.189 6.196 5.763 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.695 10.850 7.373 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.380 6.704 8.237 1.00 0.00 H new ATOM 0 HH TYR A 61 10.603 8.228 9.736 1.00 0.00 H new ATOM 925 N SER A 62 10.209 7.766 0.828 1.00 0.00 N ATOM 926 CA SER A 62 10.525 7.179 -0.463 1.00 0.00 C ATOM 927 C SER A 62 9.247 6.671 -1.134 1.00 0.00 C ATOM 928 O SER A 62 8.183 6.652 -0.517 1.00 0.00 O ATOM 929 CB SER A 62 11.536 6.040 -0.317 1.00 0.00 C ATOM 930 OG SER A 62 12.874 6.484 -0.522 1.00 0.00 O ATOM 0 H SER A 62 9.302 7.496 1.209 1.00 0.00 H new ATOM 0 HA SER A 62 10.974 7.950 -1.089 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.448 5.602 0.677 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.301 5.253 -1.034 1.00 0.00 H new ATOM 0 HG SER A 62 12.994 7.363 -0.106 1.00 0.00 H new ATOM 936 N LYS A 63 9.394 6.272 -2.389 1.00 0.00 N ATOM 937 CA LYS A 63 8.264 5.766 -3.150 1.00 0.00 C ATOM 938 C LYS A 63 8.494 4.289 -3.474 1.00 0.00 C ATOM 939 O LYS A 63 9.543 3.921 -4.003 1.00 0.00 O ATOM 940 CB LYS A 63 8.018 6.635 -4.385 1.00 0.00 C ATOM 941 CG LYS A 63 8.619 8.030 -4.202 1.00 0.00 C ATOM 942 CD LYS A 63 10.126 8.018 -4.470 1.00 0.00 C ATOM 943 CE LYS A 63 10.479 8.916 -5.657 1.00 0.00 C ATOM 944 NZ LYS A 63 11.639 9.774 -5.330 1.00 0.00 N ATOM 0 H LYS A 63 10.278 6.289 -2.898 1.00 0.00 H new ATOM 0 HA LYS A 63 7.350 5.825 -2.560 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.456 6.159 -5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.947 6.718 -4.568 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.131 8.732 -4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.429 8.381 -3.188 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.660 8.357 -3.582 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.455 6.998 -4.670 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.707 8.303 -6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.622 9.537 -5.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.866 10.377 -6.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.409 10.372 -4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.459 9.177 -5.103 1.00 0.00 H new ATOM 958 N LEU A 64 7.498 3.481 -3.144 1.00 0.00 N ATOM 959 CA LEU A 64 7.578 2.052 -3.393 1.00 0.00 C ATOM 960 C LEU A 64 7.522 1.798 -4.900 1.00 0.00 C ATOM 961 O LEU A 64 6.570 1.200 -5.398 1.00 0.00 O ATOM 962 CB LEU A 64 6.499 1.309 -2.603 1.00 0.00 C ATOM 963 CG LEU A 64 6.648 1.329 -1.081 1.00 0.00 C ATOM 964 CD1 LEU A 64 8.024 1.855 -0.671 1.00 0.00 C ATOM 965 CD2 LEU A 64 5.513 2.122 -0.429 1.00 0.00 C ATOM 0 H LEU A 64 6.630 3.789 -2.706 1.00 0.00 H new ATOM 0 HA LEU A 64 8.529 1.656 -3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.530 1.737 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.486 0.270 -2.933 1.00 0.00 H new ATOM 0 HG LEU A 64 6.575 0.304 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.103 1.859 0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.799 1.212 -1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.153 2.870 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.643 2.120 0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.529 3.149 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.557 1.663 -0.680 1.00 0.00 H new ATOM 977 N ASP A 65 8.556 2.264 -5.586 1.00 0.00 N ATOM 978 CA ASP A 65 8.637 2.095 -7.026 1.00 0.00 C ATOM 979 C ASP A 65 8.955 0.633 -7.347 1.00 0.00 C ATOM 980 O ASP A 65 8.243 -0.006 -8.119 1.00 0.00 O ATOM 981 CB ASP A 65 9.748 2.962 -7.622 1.00 0.00 C ATOM 982 CG ASP A 65 10.234 2.530 -9.006 1.00 0.00 C ATOM 983 OD1 ASP A 65 9.359 2.319 -9.875 1.00 0.00 O ATOM 984 OD2 ASP A 65 11.468 2.420 -9.166 1.00 0.00 O ATOM 0 H ASP A 65 9.345 2.759 -5.170 1.00 0.00 H new ATOM 0 HA ASP A 65 7.679 2.392 -7.454 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.392 3.990 -7.683 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.597 2.959 -6.938 1.00 0.00 H new ATOM 989 N GLN A 66 10.026 0.147 -6.737 1.00 0.00 N ATOM 990 CA GLN A 66 10.447 -1.228 -6.947 1.00 0.00 C ATOM 991 C GLN A 66 9.243 -2.169 -6.874 1.00 0.00 C ATOM 992 O GLN A 66 8.380 -2.013 -6.013 1.00 0.00 O ATOM 993 CB GLN A 66 11.522 -1.633 -5.936 1.00 0.00 C ATOM 994 CG GLN A 66 12.273 -2.881 -6.404 1.00 0.00 C ATOM 995 CD GLN A 66 13.525 -2.503 -7.198 1.00 0.00 C ATOM 996 OE1 GLN A 66 13.936 -1.355 -7.249 1.00 0.00 O ATOM 997 NE2 GLN A 66 14.107 -3.529 -7.812 1.00 0.00 N ATOM 0 H GLN A 66 10.615 0.681 -6.097 1.00 0.00 H new ATOM 0 HA GLN A 66 10.884 -1.306 -7.943 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.225 -0.811 -5.799 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.061 -1.824 -4.967 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.554 -3.485 -5.541 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.617 -3.494 -7.023 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.711 -4.465 -7.728 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.950 -3.380 -8.367 1.00 0.00 H new ATOM 1006 N GLU A 67 9.225 -3.127 -7.790 1.00 0.00 N ATOM 1007 CA GLU A 67 8.141 -4.093 -7.841 1.00 0.00 C ATOM 1008 C GLU A 67 8.557 -5.393 -7.149 1.00 0.00 C ATOM 1009 O GLU A 67 7.753 -6.018 -6.459 1.00 0.00 O ATOM 1010 CB GLU A 67 7.707 -4.355 -9.284 1.00 0.00 C ATOM 1011 CG GLU A 67 6.952 -3.154 -9.856 1.00 0.00 C ATOM 1012 CD GLU A 67 5.848 -3.606 -10.814 1.00 0.00 C ATOM 1013 OE1 GLU A 67 6.028 -4.685 -11.419 1.00 0.00 O ATOM 1014 OE2 GLU A 67 4.849 -2.862 -10.921 1.00 0.00 O ATOM 0 H GLU A 67 9.944 -3.254 -8.502 1.00 0.00 H new ATOM 0 HA GLU A 67 7.285 -3.678 -7.309 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.583 -4.565 -9.898 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.072 -5.240 -9.321 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.517 -2.572 -9.043 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.648 -2.499 -10.380 1.00 0.00 H new ATOM 1021 N ASP A 68 9.812 -5.762 -7.357 1.00 0.00 N ATOM 1022 CA ASP A 68 10.344 -6.976 -6.762 1.00 0.00 C ATOM 1023 C ASP A 68 10.571 -6.749 -5.266 1.00 0.00 C ATOM 1024 O ASP A 68 10.818 -7.696 -4.521 1.00 0.00 O ATOM 1025 CB ASP A 68 11.686 -7.356 -7.391 1.00 0.00 C ATOM 1026 CG ASP A 68 12.553 -8.294 -6.549 1.00 0.00 C ATOM 1027 OD1 ASP A 68 13.124 -7.799 -5.554 1.00 0.00 O ATOM 1028 OD2 ASP A 68 12.624 -9.486 -6.920 1.00 0.00 O ATOM 0 H ASP A 68 10.476 -5.241 -7.930 1.00 0.00 H new ATOM 0 HA ASP A 68 9.626 -7.778 -6.933 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.497 -7.828 -8.355 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.249 -6.444 -7.587 1.00 0.00 H new ATOM 1033 N ALA A 69 10.479 -5.487 -4.871 1.00 0.00 N ATOM 1034 CA ALA A 69 10.671 -5.124 -3.478 1.00 0.00 C ATOM 1035 C ALA A 69 9.534 -5.712 -2.640 1.00 0.00 C ATOM 1036 O ALA A 69 8.544 -6.198 -3.185 1.00 0.00 O ATOM 1037 CB ALA A 69 10.758 -3.601 -3.355 1.00 0.00 C ATOM 0 H ALA A 69 10.274 -4.704 -5.492 1.00 0.00 H new ATOM 0 HA ALA A 69 11.606 -5.536 -3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.902 -3.328 -2.310 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.599 -3.236 -3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.835 -3.153 -3.723 1.00 0.00 H new ATOM 1043 N LEU A 70 9.713 -5.649 -1.329 1.00 0.00 N ATOM 1044 CA LEU A 70 8.714 -6.169 -0.411 1.00 0.00 C ATOM 1045 C LEU A 70 8.442 -5.132 0.681 1.00 0.00 C ATOM 1046 O LEU A 70 9.324 -4.352 1.035 1.00 0.00 O ATOM 1047 CB LEU A 70 9.144 -7.534 0.131 1.00 0.00 C ATOM 1048 CG LEU A 70 9.708 -8.517 -0.898 1.00 0.00 C ATOM 1049 CD1 LEU A 70 10.624 -9.544 -0.229 1.00 0.00 C ATOM 1050 CD2 LEU A 70 8.584 -9.183 -1.693 1.00 0.00 C ATOM 0 H LEU A 70 10.535 -5.246 -0.880 1.00 0.00 H new ATOM 0 HA LEU A 70 7.771 -6.340 -0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.897 -7.375 0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.284 -7.998 0.614 1.00 0.00 H new ATOM 0 HG LEU A 70 10.316 -7.957 -1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.012 -10.231 -0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.454 -9.030 0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.059 -10.104 0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.012 -9.876 -2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.930 -9.727 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.008 -8.421 -2.217 1.00 0.00 H new ATOM 1062 N LEU A 71 7.216 -5.158 1.184 1.00 0.00 N ATOM 1063 CA LEU A 71 6.816 -4.230 2.228 1.00 0.00 C ATOM 1064 C LEU A 71 7.580 -4.555 3.513 1.00 0.00 C ATOM 1065 O LEU A 71 7.231 -5.496 4.226 1.00 0.00 O ATOM 1066 CB LEU A 71 5.296 -4.237 2.397 1.00 0.00 C ATOM 1067 CG LEU A 71 4.575 -2.937 2.036 1.00 0.00 C ATOM 1068 CD1 LEU A 71 3.061 -3.087 2.198 1.00 0.00 C ATOM 1069 CD2 LEU A 71 5.124 -1.762 2.847 1.00 0.00 C ATOM 0 H LEU A 71 6.487 -5.807 0.888 1.00 0.00 H new ATOM 0 HA LEU A 71 7.078 -3.209 1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.886 -5.039 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.067 -4.480 3.434 1.00 0.00 H new ATOM 0 HG LEU A 71 4.767 -2.720 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.572 -2.149 1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.702 -3.880 1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.829 -3.339 3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.594 -0.850 2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.983 -1.956 3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.187 -1.641 2.639 1.00 0.00 H new ATOM 1081 N GLY A 72 8.607 -3.760 3.771 1.00 0.00 N ATOM 1082 CA GLY A 72 9.423 -3.951 4.958 1.00 0.00 C ATOM 1083 C GLY A 72 10.846 -3.434 4.735 1.00 0.00 C ATOM 1084 O GLY A 72 11.419 -2.786 5.610 1.00 0.00 O ATOM 0 H GLY A 72 8.893 -2.981 3.178 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.971 -3.430 5.802 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.453 -5.010 5.216 1.00 0.00 H new ATOM 1088 N SER A 73 11.374 -3.738 3.559 1.00 0.00 N ATOM 1089 CA SER A 73 12.719 -3.312 3.210 1.00 0.00 C ATOM 1090 C SER A 73 12.812 -1.786 3.254 1.00 0.00 C ATOM 1091 O SER A 73 13.908 -1.228 3.288 1.00 0.00 O ATOM 1092 CB SER A 73 13.119 -3.829 1.827 1.00 0.00 C ATOM 1093 OG SER A 73 13.078 -2.800 0.841 1.00 0.00 O ATOM 0 H SER A 73 10.895 -4.274 2.835 1.00 0.00 H new ATOM 0 HA SER A 73 13.411 -3.733 3.939 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.124 -4.247 1.873 1.00 0.00 H new ATOM 0 HB3 SER A 73 12.450 -4.638 1.535 1.00 0.00 H new ATOM 0 HG SER A 73 13.341 -3.169 -0.028 1.00 0.00 H new ATOM 1099 N TYR A 74 11.648 -1.153 3.253 1.00 0.00 N ATOM 1100 CA TYR A 74 11.584 0.298 3.292 1.00 0.00 C ATOM 1101 C TYR A 74 11.315 0.796 4.714 1.00 0.00 C ATOM 1102 O TYR A 74 10.919 0.021 5.583 1.00 0.00 O ATOM 1103 CB TYR A 74 10.409 0.693 2.395 1.00 0.00 C ATOM 1104 CG TYR A 74 10.699 0.563 0.898 1.00 0.00 C ATOM 1105 CD1 TYR A 74 11.568 1.441 0.285 1.00 0.00 C ATOM 1106 CD2 TYR A 74 10.090 -0.433 0.162 1.00 0.00 C ATOM 1107 CE1 TYR A 74 11.840 1.319 -1.124 1.00 0.00 C ATOM 1108 CE2 TYR A 74 10.362 -0.556 -1.247 1.00 0.00 C ATOM 1109 CZ TYR A 74 11.224 0.326 -1.820 1.00 0.00 C ATOM 1110 OH TYR A 74 11.481 0.211 -3.151 1.00 0.00 O ATOM 0 H TYR A 74 10.741 -1.619 3.226 1.00 0.00 H new ATOM 0 HA TYR A 74 12.527 0.733 2.961 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.550 0.070 2.644 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.129 1.724 2.613 1.00 0.00 H new ATOM 0 HD1 TYR A 74 12.045 2.220 0.862 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.409 -1.120 0.643 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.518 2.000 -1.617 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.892 -1.331 -1.835 1.00 0.00 H new ATOM 0 HH TYR A 74 12.389 0.528 -3.337 1.00 0.00 H new ATOM 1120 N PRO A 75 11.546 2.122 4.911 1.00 0.00 N ATOM 1121 CA PRO A 75 11.332 2.733 6.212 1.00 0.00 C ATOM 1122 C PRO A 75 9.840 2.916 6.494 1.00 0.00 C ATOM 1123 O PRO A 75 9.383 4.031 6.740 1.00 0.00 O ATOM 1124 CB PRO A 75 12.092 4.049 6.158 1.00 0.00 C ATOM 1125 CG PRO A 75 12.314 4.341 4.683 1.00 0.00 C ATOM 1126 CD PRO A 75 12.014 3.070 3.905 1.00 0.00 C ATOM 0 HA PRO A 75 11.693 2.113 7.032 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.523 4.848 6.633 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.041 3.974 6.689 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.665 5.152 4.353 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.341 4.662 4.508 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.256 3.243 3.141 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.903 2.699 3.394 1.00 0.00 H new ATOM 1134 N VAL A 76 9.121 1.804 6.448 1.00 0.00 N ATOM 1135 CA VAL A 76 7.689 1.827 6.695 1.00 0.00 C ATOM 1136 C VAL A 76 7.398 1.162 8.042 1.00 0.00 C ATOM 1137 O VAL A 76 8.169 0.322 8.503 1.00 0.00 O ATOM 1138 CB VAL A 76 6.946 1.170 5.530 1.00 0.00 C ATOM 1139 CG1 VAL A 76 7.230 -0.333 5.477 1.00 0.00 C ATOM 1140 CG2 VAL A 76 5.443 1.441 5.616 1.00 0.00 C ATOM 0 H VAL A 76 9.503 0.881 6.243 1.00 0.00 H new ATOM 0 HA VAL A 76 7.328 2.854 6.755 1.00 0.00 H new ATOM 0 HB VAL A 76 7.314 1.614 4.605 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.690 -0.776 4.640 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.300 -0.497 5.346 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.903 -0.798 6.407 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.938 0.963 4.776 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.053 1.038 6.551 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.265 2.516 5.582 1.00 0.00 H new ATOM 1150 N ASP A 77 6.283 1.563 8.634 1.00 0.00 N ATOM 1151 CA ASP A 77 5.880 1.017 9.919 1.00 0.00 C ATOM 1152 C ASP A 77 4.353 1.034 10.020 1.00 0.00 C ATOM 1153 O ASP A 77 3.683 1.703 9.234 1.00 0.00 O ATOM 1154 CB ASP A 77 6.439 1.852 11.073 1.00 0.00 C ATOM 1155 CG ASP A 77 6.500 1.132 12.422 1.00 0.00 C ATOM 1156 OD1 ASP A 77 7.460 0.355 12.608 1.00 0.00 O ATOM 1157 OD2 ASP A 77 5.584 1.376 13.236 1.00 0.00 O ATOM 0 H ASP A 77 5.646 2.260 8.248 1.00 0.00 H new ATOM 0 HA ASP A 77 6.267 0.000 9.989 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.443 2.183 10.809 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.827 2.747 11.183 1.00 0.00 H new ATOM 1162 N ASP A 78 3.848 0.291 10.993 1.00 0.00 N ATOM 1163 CA ASP A 78 2.413 0.213 11.207 1.00 0.00 C ATOM 1164 C ASP A 78 1.899 1.569 11.694 1.00 0.00 C ATOM 1165 O ASP A 78 1.996 1.885 12.879 1.00 0.00 O ATOM 1166 CB ASP A 78 2.070 -0.832 12.271 1.00 0.00 C ATOM 1167 CG ASP A 78 3.002 -0.849 13.484 1.00 0.00 C ATOM 1168 OD1 ASP A 78 4.028 -1.558 13.402 1.00 0.00 O ATOM 1169 OD2 ASP A 78 2.668 -0.151 14.466 1.00 0.00 O ATOM 0 H ASP A 78 4.407 -0.263 11.642 1.00 0.00 H new ATOM 0 HA ASP A 78 1.947 -0.067 10.262 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.051 -0.656 12.617 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.083 -1.818 11.808 1.00 0.00 H new ATOM 1174 N GLY A 79 1.364 2.336 10.755 1.00 0.00 N ATOM 1175 CA GLY A 79 0.835 3.651 11.074 1.00 0.00 C ATOM 1176 C GLY A 79 1.258 4.681 10.024 1.00 0.00 C ATOM 1177 O GLY A 79 0.763 5.807 10.020 1.00 0.00 O ATOM 0 H GLY A 79 1.286 2.072 9.773 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.253 3.606 11.127 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.190 3.961 12.057 1.00 0.00 H new ATOM 1181 N CYS A 80 2.168 4.258 9.159 1.00 0.00 N ATOM 1182 CA CYS A 80 2.662 5.129 8.107 1.00 0.00 C ATOM 1183 C CYS A 80 1.470 5.599 7.272 1.00 0.00 C ATOM 1184 O CYS A 80 0.321 5.460 7.690 1.00 0.00 O ATOM 1185 CB CYS A 80 3.722 4.435 7.249 1.00 0.00 C ATOM 1186 SG CYS A 80 2.919 3.296 6.063 1.00 0.00 S ATOM 0 H CYS A 80 2.576 3.323 9.165 1.00 0.00 H new ATOM 0 HA CYS A 80 3.157 5.993 8.550 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.310 5.178 6.711 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.413 3.882 7.886 1.00 0.00 H new ATOM 0 HG CYS A 80 3.523 3.369 4.914 1.00 0.00 H new ATOM 1192 N ARG A 81 1.783 6.145 6.106 1.00 0.00 N ATOM 1193 CA ARG A 81 0.751 6.636 5.208 1.00 0.00 C ATOM 1194 C ARG A 81 1.144 6.371 3.753 1.00 0.00 C ATOM 1195 O ARG A 81 2.080 6.981 3.238 1.00 0.00 O ATOM 1196 CB ARG A 81 0.520 8.136 5.402 1.00 0.00 C ATOM 1197 CG ARG A 81 -0.457 8.679 4.358 1.00 0.00 C ATOM 1198 CD ARG A 81 -1.079 9.998 4.823 1.00 0.00 C ATOM 1199 NE ARG A 81 -1.855 9.781 6.065 1.00 0.00 N ATOM 1200 CZ ARG A 81 -1.359 9.948 7.299 1.00 0.00 C ATOM 1201 NH1 ARG A 81 -0.086 10.334 7.463 1.00 0.00 N ATOM 1202 NH2 ARG A 81 -2.136 9.728 8.368 1.00 0.00 N ATOM 0 H ARG A 81 2.737 6.258 5.762 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.172 6.105 5.441 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.129 8.321 6.402 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.469 8.667 5.328 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.063 8.832 3.412 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.243 7.947 4.175 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.297 10.737 4.997 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.728 10.398 4.044 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.827 9.486 5.976 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.505 10.501 6.649 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.291 10.461 8.402 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.104 9.434 8.243 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.759 9.855 9.307 1.00 0.00 H new ATOM 1216 N ILE A 82 0.408 5.462 3.131 1.00 0.00 N ATOM 1217 CA ILE A 82 0.668 5.109 1.745 1.00 0.00 C ATOM 1218 C ILE A 82 -0.296 5.878 0.839 1.00 0.00 C ATOM 1219 O ILE A 82 -1.478 5.547 0.762 1.00 0.00 O ATOM 1220 CB ILE A 82 0.611 3.592 1.558 1.00 0.00 C ATOM 1221 CG1 ILE A 82 1.685 2.895 2.396 1.00 0.00 C ATOM 1222 CG2 ILE A 82 0.705 3.218 0.078 1.00 0.00 C ATOM 1223 CD1 ILE A 82 3.036 2.911 1.677 1.00 0.00 C ATOM 0 H ILE A 82 -0.368 4.959 3.561 1.00 0.00 H new ATOM 0 HA ILE A 82 1.678 5.403 1.460 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.356 3.240 1.918 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.777 3.391 3.362 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.386 1.866 2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.662 2.134 -0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.126 3.668 -0.465 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.646 3.585 -0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.782 2.410 2.293 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.946 2.393 0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.343 3.942 1.503 1.00 0.00 H new ATOM 1235 N HIS A 83 0.245 6.889 0.175 1.00 0.00 N ATOM 1236 CA HIS A 83 -0.552 7.706 -0.723 1.00 0.00 C ATOM 1237 C HIS A 83 -0.463 7.145 -2.144 1.00 0.00 C ATOM 1238 O HIS A 83 0.631 6.954 -2.672 1.00 0.00 O ATOM 1239 CB HIS A 83 -0.132 9.175 -0.639 1.00 0.00 C ATOM 1240 CG HIS A 83 -0.897 10.088 -1.566 1.00 0.00 C ATOM 1241 ND1 HIS A 83 -1.999 10.819 -1.158 1.00 0.00 N ATOM 1242 CD2 HIS A 83 -0.709 10.380 -2.885 1.00 0.00 C ATOM 1243 CE1 HIS A 83 -2.445 11.516 -2.192 1.00 0.00 C ATOM 1244 NE2 HIS A 83 -1.645 11.242 -3.262 1.00 0.00 N ATOM 0 H HIS A 83 1.226 7.161 0.241 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.598 7.669 -0.420 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.264 9.522 0.386 1.00 0.00 H new ATOM 0 HB3 HIS A 83 0.931 9.252 -0.867 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.070 9.978 -3.516 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.293 12.184 -2.189 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.749 11.635 -4.198 1.00 0.00 H new ATOM 1252 N VAL A 84 -1.629 6.896 -2.721 1.00 0.00 N ATOM 1253 CA VAL A 84 -1.697 6.360 -4.070 1.00 0.00 C ATOM 1254 C VAL A 84 -1.765 7.516 -5.071 1.00 0.00 C ATOM 1255 O VAL A 84 -2.688 8.328 -5.025 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.878 5.395 -4.191 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -3.237 5.149 -5.658 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.585 4.078 -3.470 1.00 0.00 C ATOM 0 H VAL A 84 -2.534 7.055 -2.279 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.800 5.785 -4.298 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.739 5.857 -3.708 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.079 4.460 -5.716 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.508 6.094 -6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.380 4.718 -6.175 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.440 3.410 -3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.705 3.610 -3.911 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.401 4.275 -2.414 1.00 0.00 H new ATOM 1268 N ILE A 85 -0.776 7.554 -5.951 1.00 0.00 N ATOM 1269 CA ILE A 85 -0.712 8.597 -6.961 1.00 0.00 C ATOM 1270 C ILE A 85 -1.488 8.148 -8.201 1.00 0.00 C ATOM 1271 O ILE A 85 -0.996 7.339 -8.986 1.00 0.00 O ATOM 1272 CB ILE A 85 0.743 8.975 -7.249 1.00 0.00 C ATOM 1273 CG1 ILE A 85 1.478 9.347 -5.960 1.00 0.00 C ATOM 1274 CG2 ILE A 85 0.823 10.088 -8.295 1.00 0.00 C ATOM 1275 CD1 ILE A 85 2.944 9.680 -6.242 1.00 0.00 C ATOM 0 H ILE A 85 -0.012 6.879 -5.986 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.188 9.508 -6.599 1.00 0.00 H new ATOM 0 HB ILE A 85 1.246 8.103 -7.667 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.990 10.203 -5.493 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.419 8.521 -5.252 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.868 10.338 -8.481 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.360 9.750 -9.222 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.299 10.970 -7.928 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.444 9.941 -5.309 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.435 8.814 -6.687 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.000 10.522 -6.931 1.00 0.00 H new ATOM 1287 N ASP A 86 -2.687 8.694 -8.338 1.00 0.00 N ATOM 1288 CA ASP A 86 -3.536 8.360 -9.469 1.00 0.00 C ATOM 1289 C ASP A 86 -2.807 8.709 -10.768 1.00 0.00 C ATOM 1290 O ASP A 86 -2.771 9.870 -11.171 1.00 0.00 O ATOM 1291 CB ASP A 86 -4.842 9.155 -9.431 1.00 0.00 C ATOM 1292 CG ASP A 86 -6.013 8.512 -10.177 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -6.104 7.266 -10.124 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -6.791 9.280 -10.783 1.00 0.00 O ATOM 0 H ASP A 86 -3.091 9.365 -7.685 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.761 7.295 -9.419 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.130 9.301 -8.390 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -4.661 10.143 -9.853 1.00 0.00 H new ATOM 1299 N HIS A 87 -2.245 7.682 -11.388 1.00 0.00 N ATOM 1300 CA HIS A 87 -1.519 7.865 -12.634 1.00 0.00 C ATOM 1301 C HIS A 87 -2.403 7.445 -13.809 1.00 0.00 C ATOM 1302 O HIS A 87 -1.900 7.014 -14.846 1.00 0.00 O ATOM 1303 CB HIS A 87 -0.183 7.120 -12.599 1.00 0.00 C ATOM 1304 CG HIS A 87 1.011 8.010 -12.349 1.00 0.00 C ATOM 1305 ND1 HIS A 87 1.214 9.199 -13.027 1.00 0.00 N ATOM 1306 CD2 HIS A 87 2.060 7.872 -11.489 1.00 0.00 C ATOM 1307 CE1 HIS A 87 2.339 9.744 -12.588 1.00 0.00 C ATOM 1308 NE2 HIS A 87 2.862 8.920 -11.635 1.00 0.00 N ATOM 0 H HIS A 87 -2.278 6.720 -11.051 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.276 8.919 -12.767 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.224 6.358 -11.821 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -0.044 6.600 -13.547 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.213 7.050 -10.805 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.767 10.677 -12.925 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.727 9.082 -11.119 1.00 0.00 H new