USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=22 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 165:sc= -0.269 (180deg=-0.726) USER MOD Set 1.2: A 80 THR OG1 : rot 180:sc= 0.533 USER MOD Set 1.3: A 91 THR OG1 : rot -67:sc= 0.0199 USER MOD Set 2.1: A 9 CYS SG : rot 180:sc=-0.00356 USER MOD Set 2.2: A 11 MET CE :methyl 137:sc=-0.00486 (180deg=-0.771) USER MOD Single : A 3 HIS : no HD1:sc= -0.0164 X(o=-0.016,f=-0.34) USER MOD Single : A 5 THR OG1 : rot -110:sc= 1.35 USER MOD Single : A 12 ASN : amide:sc= 0.776 K(o=0.78,f=-0.12) USER MOD Single : A 13 MET CE :methyl -151:sc= -1.53 (180deg=-3.55!) USER MOD Single : A 25 TYR OH : rot -167:sc= 1.09 USER MOD Single : A 36 CYS SG : rot -52:sc= -4.03! USER MOD Single : A 37 SER OG : rot -10:sc= 0.0751 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 10:sc= 1.16 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= 0.693 (180deg=0.676) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0224 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0525 USER MOD Single : A 72 CYS SG : rot 42:sc= 0.722 USER MOD Single : A 73 GLN : amide:sc= -0.834 K(o=-0.83,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 173:sc= 1.04 (180deg=1) USER MOD Single : A 86 ASN : amide:sc= 0.206 X(o=0.21,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0123 USER MOD Single : A 94 CYS SG : rot 180:sc= -1.45 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0645 USER MOD Single : A 99 TYR OH : rot 76:sc= 0.362 USER MOD Single : A 100 HIS : no HD1:sc= -0.644 X(o=-0.64,f=-0.97) USER MOD ----------------------------------------------------------------- ATOM 15 N HIS A 3 12.348 15.845 1.715 1.00 0.00 N ATOM 16 CA HIS A 3 11.291 16.828 1.531 1.00 0.00 C ATOM 17 C HIS A 3 9.945 16.116 1.395 1.00 0.00 C ATOM 18 O HIS A 3 9.918 14.906 1.153 1.00 0.00 O ATOM 19 CB HIS A 3 11.675 17.714 0.335 1.00 0.00 C ATOM 20 CG HIS A 3 11.654 17.036 -1.013 1.00 0.00 C ATOM 21 ND1 HIS A 3 12.519 16.063 -1.483 1.00 0.00 N ATOM 22 CD2 HIS A 3 10.866 17.422 -2.061 1.00 0.00 C ATOM 23 CE1 HIS A 3 12.230 15.844 -2.776 1.00 0.00 C ATOM 24 NE2 HIS A 3 11.261 16.682 -3.174 1.00 0.00 N ATOM 0 HA HIS A 3 11.180 17.486 2.393 1.00 0.00 H new ATOM 0 HB2 HIS A 3 10.995 18.566 0.304 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.676 18.111 0.506 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.082 18.164 -2.032 1.00 0.00 H new ATOM 0 HE1 HIS A 3 12.706 15.104 -3.402 1.00 0.00 H new ATOM 0 HE2 HIS A 3 10.883 16.763 -4.118 1.00 0.00 H new ATOM 32 N PRO A 4 8.824 16.816 1.622 1.00 0.00 N ATOM 33 CA PRO A 4 7.509 16.273 1.335 1.00 0.00 C ATOM 34 C PRO A 4 7.329 16.219 -0.179 1.00 0.00 C ATOM 35 O PRO A 4 7.821 17.101 -0.893 1.00 0.00 O ATOM 36 CB PRO A 4 6.520 17.244 1.980 1.00 0.00 C ATOM 37 CG PRO A 4 7.265 18.577 1.973 1.00 0.00 C ATOM 38 CD PRO A 4 8.731 18.189 2.096 1.00 0.00 C ATOM 0 HA PRO A 4 7.363 15.264 1.721 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.590 17.302 1.415 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.259 16.936 2.993 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.076 19.133 1.055 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.951 19.213 2.801 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.361 18.851 1.501 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.070 18.269 3.129 1.00 0.00 H new ATOM 46 N THR A 5 6.576 15.232 -0.655 1.00 0.00 N ATOM 47 CA THR A 5 6.258 15.082 -2.068 1.00 0.00 C ATOM 48 C THR A 5 4.774 14.732 -2.190 1.00 0.00 C ATOM 49 O THR A 5 4.062 14.652 -1.183 1.00 0.00 O ATOM 50 CB THR A 5 7.214 14.068 -2.731 1.00 0.00 C ATOM 51 OG1 THR A 5 6.945 12.756 -2.286 1.00 0.00 O ATOM 52 CG2 THR A 5 8.693 14.385 -2.473 1.00 0.00 C ATOM 0 H THR A 5 6.167 14.508 -0.064 1.00 0.00 H new ATOM 0 HA THR A 5 6.415 16.011 -2.615 1.00 0.00 H new ATOM 0 HB THR A 5 7.033 14.146 -3.803 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.680 12.447 -1.716 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.316 13.638 -2.964 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.928 15.372 -2.871 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.886 14.371 -1.400 1.00 0.00 H new ATOM 60 N GLU A 6 4.284 14.549 -3.413 1.00 0.00 N ATOM 61 CA GLU A 6 2.929 14.074 -3.661 1.00 0.00 C ATOM 62 C GLU A 6 2.780 12.566 -3.391 1.00 0.00 C ATOM 63 O GLU A 6 1.692 12.032 -3.606 1.00 0.00 O ATOM 64 CB GLU A 6 2.463 14.529 -5.058 1.00 0.00 C ATOM 65 CG GLU A 6 3.299 14.064 -6.256 1.00 0.00 C ATOM 66 CD GLU A 6 2.921 14.842 -7.526 1.00 0.00 C ATOM 67 OE1 GLU A 6 3.344 16.017 -7.646 1.00 0.00 O ATOM 68 OE2 GLU A 6 2.217 14.313 -8.421 1.00 0.00 O ATOM 0 H GLU A 6 4.819 14.727 -4.263 1.00 0.00 H new ATOM 0 HA GLU A 6 2.249 14.533 -2.943 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.440 14.182 -5.204 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.434 15.619 -5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.358 14.204 -6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.145 12.997 -6.419 1.00 0.00 H new ATOM 75 N VAL A 7 3.812 11.885 -2.870 1.00 0.00 N ATOM 76 CA VAL A 7 3.823 10.445 -2.635 1.00 0.00 C ATOM 77 C VAL A 7 4.151 10.144 -1.169 1.00 0.00 C ATOM 78 O VAL A 7 4.982 10.802 -0.536 1.00 0.00 O ATOM 79 CB VAL A 7 4.805 9.768 -3.618 1.00 0.00 C ATOM 80 CG1 VAL A 7 4.815 8.237 -3.492 1.00 0.00 C ATOM 81 CG2 VAL A 7 4.429 10.108 -5.070 1.00 0.00 C ATOM 0 H VAL A 7 4.683 12.339 -2.595 1.00 0.00 H new ATOM 0 HA VAL A 7 2.833 10.030 -2.823 1.00 0.00 H new ATOM 0 HB VAL A 7 5.793 10.150 -3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.523 7.818 -4.207 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.111 7.957 -2.481 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.818 7.848 -3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.130 9.624 -5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.419 9.754 -5.277 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.471 11.188 -5.213 1.00 0.00 H new ATOM 91 N LEU A 8 3.510 9.097 -0.651 1.00 0.00 N ATOM 92 CA LEU A 8 3.612 8.588 0.705 1.00 0.00 C ATOM 93 C LEU A 8 3.831 7.080 0.668 1.00 0.00 C ATOM 94 O LEU A 8 3.419 6.384 -0.261 1.00 0.00 O ATOM 95 CB LEU A 8 2.279 8.828 1.430 1.00 0.00 C ATOM 96 CG LEU A 8 2.089 10.182 2.112 1.00 0.00 C ATOM 97 CD1 LEU A 8 0.602 10.368 2.448 1.00 0.00 C ATOM 98 CD2 LEU A 8 2.959 10.427 3.335 1.00 0.00 C ATOM 0 H LEU A 8 2.861 8.547 -1.213 1.00 0.00 H new ATOM 0 HA LEU A 8 4.437 9.089 1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.473 8.698 0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.160 8.050 2.184 1.00 0.00 H new ATOM 0 HG LEU A 8 2.426 10.932 1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.457 11.332 2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.015 10.333 1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.278 9.571 3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.745 11.415 3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.746 9.670 4.090 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.010 10.371 3.051 1.00 0.00 H new ATOM 110 N CYS A 9 4.354 6.576 1.780 1.00 0.00 N ATOM 111 CA CYS A 9 4.489 5.154 2.093 1.00 0.00 C ATOM 112 C CYS A 9 3.631 4.886 3.320 1.00 0.00 C ATOM 113 O CYS A 9 3.928 5.381 4.411 1.00 0.00 O ATOM 114 CB CYS A 9 5.966 4.788 2.335 1.00 0.00 C ATOM 115 SG CYS A 9 6.168 3.187 3.174 1.00 0.00 S ATOM 0 H CYS A 9 4.713 7.174 2.524 1.00 0.00 H new ATOM 0 HA CYS A 9 4.154 4.534 1.261 1.00 0.00 H new ATOM 0 HB2 CYS A 9 6.490 4.761 1.380 1.00 0.00 H new ATOM 0 HB3 CYS A 9 6.435 5.568 2.934 1.00 0.00 H new ATOM 0 HG CYS A 9 7.434 2.942 3.343 1.00 0.00 H new ATOM 121 N LEU A 10 2.536 4.150 3.167 1.00 0.00 N ATOM 122 CA LEU A 10 1.793 3.557 4.272 1.00 0.00 C ATOM 123 C LEU A 10 2.371 2.156 4.503 1.00 0.00 C ATOM 124 O LEU A 10 2.876 1.523 3.575 1.00 0.00 O ATOM 125 CB LEU A 10 0.302 3.435 3.915 1.00 0.00 C ATOM 126 CG LEU A 10 -0.409 4.728 3.461 1.00 0.00 C ATOM 127 CD1 LEU A 10 -1.529 4.398 2.476 1.00 0.00 C ATOM 128 CD2 LEU A 10 -0.988 5.485 4.656 1.00 0.00 C ATOM 0 H LEU A 10 2.132 3.945 2.253 1.00 0.00 H new ATOM 0 HA LEU A 10 1.881 4.179 5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.201 2.694 3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.226 3.044 4.785 1.00 0.00 H new ATOM 0 HG LEU A 10 0.331 5.362 2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.022 5.319 2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.110 3.897 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.255 3.743 2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.483 6.391 4.307 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.710 4.853 5.172 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.184 5.752 5.342 1.00 0.00 H new ATOM 140 N MET A 11 2.271 1.629 5.721 1.00 0.00 N ATOM 141 CA MET A 11 2.758 0.288 6.068 1.00 0.00 C ATOM 142 C MET A 11 1.702 -0.447 6.885 1.00 0.00 C ATOM 143 O MET A 11 0.676 0.137 7.244 1.00 0.00 O ATOM 144 CB MET A 11 4.067 0.403 6.865 1.00 0.00 C ATOM 145 CG MET A 11 5.220 0.965 6.027 1.00 0.00 C ATOM 146 SD MET A 11 6.309 2.061 6.959 1.00 0.00 S ATOM 147 CE MET A 11 5.240 3.521 7.106 1.00 0.00 C ATOM 0 H MET A 11 1.846 2.123 6.506 1.00 0.00 H new ATOM 0 HA MET A 11 2.951 -0.276 5.155 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.906 1.045 7.731 1.00 0.00 H new ATOM 0 HB3 MET A 11 4.344 -0.580 7.245 1.00 0.00 H new ATOM 0 HG2 MET A 11 5.805 0.138 5.625 1.00 0.00 H new ATOM 0 HG3 MET A 11 4.810 1.509 5.176 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.304 3.919 8.119 1.00 0.00 H new ATOM 0 HE2 MET A 11 5.564 4.282 6.396 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.209 3.240 6.891 1.00 0.00 H new ATOM 157 N ASN A 12 1.974 -1.715 7.223 1.00 0.00 N ATOM 158 CA ASN A 12 1.205 -2.539 8.167 1.00 0.00 C ATOM 159 C ASN A 12 -0.246 -2.766 7.722 1.00 0.00 C ATOM 160 O ASN A 12 -1.090 -3.158 8.530 1.00 0.00 O ATOM 161 CB ASN A 12 1.203 -1.925 9.578 1.00 0.00 C ATOM 162 CG ASN A 12 2.551 -1.645 10.223 1.00 0.00 C ATOM 163 OD1 ASN A 12 3.605 -2.136 9.821 1.00 0.00 O ATOM 164 ND2 ASN A 12 2.542 -0.817 11.251 1.00 0.00 N ATOM 0 H ASN A 12 2.770 -2.216 6.829 1.00 0.00 H new ATOM 0 HA ASN A 12 1.709 -3.505 8.185 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.649 -0.987 9.536 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.648 -2.594 10.235 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.415 -0.578 11.721 1.00 0.00 H new ATOM 0 HD22 ASN A 12 1.662 -0.416 11.575 1.00 0.00 H new ATOM 171 N MET A 13 -0.575 -2.449 6.470 1.00 0.00 N ATOM 172 CA MET A 13 -1.948 -2.412 5.998 1.00 0.00 C ATOM 173 C MET A 13 -2.488 -3.839 5.977 1.00 0.00 C ATOM 174 O MET A 13 -3.400 -4.152 6.735 1.00 0.00 O ATOM 175 CB MET A 13 -1.980 -1.725 4.632 1.00 0.00 C ATOM 176 CG MET A 13 -3.327 -1.083 4.300 1.00 0.00 C ATOM 177 SD MET A 13 -3.128 0.573 3.598 1.00 0.00 S ATOM 178 CE MET A 13 -2.352 1.431 4.997 1.00 0.00 C ATOM 0 H MET A 13 0.112 -2.210 5.755 1.00 0.00 H new ATOM 0 HA MET A 13 -2.594 -1.833 6.657 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.205 -0.959 4.602 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.736 -2.456 3.861 1.00 0.00 H new ATOM 0 HG2 MET A 13 -3.866 -1.715 3.594 1.00 0.00 H new ATOM 0 HG3 MET A 13 -3.934 -1.024 5.203 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.617 2.488 4.968 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.704 0.995 5.932 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.269 1.326 4.933 1.00 0.00 H new ATOM 188 N VAL A 14 -1.838 -4.708 5.207 1.00 0.00 N ATOM 189 CA VAL A 14 -2.232 -6.079 4.902 1.00 0.00 C ATOM 190 C VAL A 14 -1.012 -6.983 5.099 1.00 0.00 C ATOM 191 O VAL A 14 0.134 -6.515 5.033 1.00 0.00 O ATOM 192 CB VAL A 14 -2.787 -6.144 3.452 1.00 0.00 C ATOM 193 CG1 VAL A 14 -4.284 -5.855 3.494 1.00 0.00 C ATOM 194 CG2 VAL A 14 -2.105 -5.177 2.471 1.00 0.00 C ATOM 0 H VAL A 14 -0.963 -4.455 4.749 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.025 -6.423 5.567 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.577 -7.146 3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.691 -5.896 2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.781 -6.599 4.116 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.451 -4.862 3.912 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.551 -5.286 1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.239 -4.152 2.818 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.041 -5.405 2.416 1.00 0.00 H new ATOM 204 N LEU A 15 -1.254 -8.257 5.397 1.00 0.00 N ATOM 205 CA LEU A 15 -0.240 -9.304 5.492 1.00 0.00 C ATOM 206 C LEU A 15 0.088 -9.832 4.085 1.00 0.00 C ATOM 207 O LEU A 15 -0.711 -9.673 3.164 1.00 0.00 O ATOM 208 CB LEU A 15 -0.763 -10.470 6.362 1.00 0.00 C ATOM 209 CG LEU A 15 -0.968 -10.177 7.855 1.00 0.00 C ATOM 210 CD1 LEU A 15 -1.406 -11.478 8.538 1.00 0.00 C ATOM 211 CD2 LEU A 15 0.296 -9.659 8.557 1.00 0.00 C ATOM 0 H LEU A 15 -2.195 -8.601 5.586 1.00 0.00 H new ATOM 0 HA LEU A 15 0.658 -8.887 5.949 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.714 -10.805 5.947 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.065 -11.302 6.271 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.719 -9.391 7.933 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.559 -11.297 9.602 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.337 -11.827 8.092 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.634 -12.236 8.406 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.078 -9.473 9.609 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.088 -10.404 8.477 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.621 -8.732 8.085 1.00 0.00 H new ATOM 223 N PRO A 16 1.206 -10.562 3.912 1.00 0.00 N ATOM 224 CA PRO A 16 1.544 -11.263 2.675 1.00 0.00 C ATOM 225 C PRO A 16 0.678 -12.498 2.410 1.00 0.00 C ATOM 226 O PRO A 16 0.956 -13.215 1.449 1.00 0.00 O ATOM 227 CB PRO A 16 3.015 -11.671 2.826 1.00 0.00 C ATOM 228 CG PRO A 16 3.164 -11.840 4.331 1.00 0.00 C ATOM 229 CD PRO A 16 2.287 -10.723 4.874 1.00 0.00 C ATOM 0 HA PRO A 16 1.365 -10.608 1.822 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.236 -12.595 2.291 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.689 -10.908 2.436 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.826 -12.821 4.665 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.201 -11.734 4.651 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.898 -10.976 5.860 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.854 -9.799 4.983 1.00 0.00 H new ATOM 237 N GLU A 17 -0.342 -12.768 3.226 1.00 0.00 N ATOM 238 CA GLU A 17 -1.191 -13.952 3.159 1.00 0.00 C ATOM 239 C GLU A 17 -2.681 -13.545 3.168 1.00 0.00 C ATOM 240 O GLU A 17 -3.536 -14.306 3.612 1.00 0.00 O ATOM 241 CB GLU A 17 -0.711 -14.980 4.218 1.00 0.00 C ATOM 242 CG GLU A 17 -0.754 -14.523 5.691 1.00 0.00 C ATOM 243 CD GLU A 17 0.285 -15.202 6.609 1.00 0.00 C ATOM 244 OE1 GLU A 17 1.508 -15.165 6.303 1.00 0.00 O ATOM 245 OE2 GLU A 17 -0.090 -15.692 7.697 1.00 0.00 O ATOM 0 H GLU A 17 -0.608 -12.139 3.983 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.097 -14.484 2.213 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.321 -15.879 4.122 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.314 -15.263 3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.600 -13.444 5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.751 -14.716 6.088 1.00 0.00 H new ATOM 252 N GLU A 18 -3.009 -12.332 2.697 1.00 0.00 N ATOM 253 CA GLU A 18 -4.375 -11.838 2.429 1.00 0.00 C ATOM 254 C GLU A 18 -4.435 -10.981 1.142 1.00 0.00 C ATOM 255 O GLU A 18 -5.296 -10.115 0.978 1.00 0.00 O ATOM 256 CB GLU A 18 -4.949 -11.109 3.656 1.00 0.00 C ATOM 257 CG GLU A 18 -4.112 -9.922 4.141 1.00 0.00 C ATOM 258 CD GLU A 18 -4.677 -9.274 5.418 1.00 0.00 C ATOM 259 OE1 GLU A 18 -5.910 -9.099 5.536 1.00 0.00 O ATOM 260 OE2 GLU A 18 -3.887 -8.918 6.329 1.00 0.00 O ATOM 0 H GLU A 18 -2.298 -11.633 2.481 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.014 -12.702 2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.952 -10.756 3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.050 -11.824 4.473 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.092 -10.256 4.330 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.061 -9.173 3.351 1.00 0.00 H new ATOM 267 N LEU A 19 -3.492 -11.204 0.224 1.00 0.00 N ATOM 268 CA LEU A 19 -3.355 -10.566 -1.082 1.00 0.00 C ATOM 269 C LEU A 19 -3.216 -11.685 -2.115 1.00 0.00 C ATOM 270 O LEU A 19 -2.099 -11.987 -2.538 1.00 0.00 O ATOM 271 CB LEU A 19 -2.111 -9.654 -1.085 1.00 0.00 C ATOM 272 CG LEU A 19 -2.215 -8.441 -0.155 1.00 0.00 C ATOM 273 CD1 LEU A 19 -0.849 -7.754 -0.071 1.00 0.00 C ATOM 274 CD2 LEU A 19 -3.273 -7.465 -0.692 1.00 0.00 C ATOM 0 H LEU A 19 -2.751 -11.886 0.389 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.220 -9.945 -1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.242 -10.245 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.935 -9.303 -2.102 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.515 -8.764 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.916 -6.890 0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.113 -8.455 0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.544 -7.428 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.344 -6.604 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.987 -7.131 -1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.240 -7.967 -0.740 1.00 0.00 H new ATOM 286 N LEU A 20 -4.316 -12.358 -2.445 1.00 0.00 N ATOM 287 CA LEU A 20 -4.365 -13.503 -3.350 1.00 0.00 C ATOM 288 C LEU A 20 -5.536 -13.301 -4.311 1.00 0.00 C ATOM 289 O LEU A 20 -5.393 -13.442 -5.527 1.00 0.00 O ATOM 290 CB LEU A 20 -4.604 -14.824 -2.588 1.00 0.00 C ATOM 291 CG LEU A 20 -3.540 -15.404 -1.635 1.00 0.00 C ATOM 292 CD1 LEU A 20 -2.113 -15.350 -2.208 1.00 0.00 C ATOM 293 CD2 LEU A 20 -3.643 -14.819 -0.214 1.00 0.00 C ATOM 0 H LEU A 20 -5.234 -12.111 -2.074 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.410 -13.568 -3.871 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.515 -14.694 -2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.811 -15.589 -3.336 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.769 -16.466 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.415 -15.774 -1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.071 -15.924 -3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.841 -14.314 -2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.872 -15.260 0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.505 -13.739 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.625 -15.044 0.202 1.00 0.00 H new ATOM 305 N ASP A 21 -6.703 -12.992 -3.748 1.00 0.00 N ATOM 306 CA ASP A 21 -7.988 -12.820 -4.398 1.00 0.00 C ATOM 307 C ASP A 21 -7.963 -11.534 -5.211 1.00 0.00 C ATOM 308 O ASP A 21 -8.028 -10.441 -4.645 1.00 0.00 O ATOM 309 CB ASP A 21 -9.107 -12.773 -3.340 1.00 0.00 C ATOM 310 CG ASP A 21 -9.171 -14.080 -2.551 1.00 0.00 C ATOM 311 OD1 ASP A 21 -8.329 -14.281 -1.648 1.00 0.00 O ATOM 312 OD2 ASP A 21 -9.987 -14.963 -2.893 1.00 0.00 O ATOM 0 H ASP A 21 -6.772 -12.845 -2.741 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.183 -13.660 -5.064 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.933 -11.941 -2.658 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.065 -12.591 -3.827 1.00 0.00 H new ATOM 317 N ASP A 22 -7.880 -11.649 -6.538 1.00 0.00 N ATOM 318 CA ASP A 22 -7.926 -10.529 -7.488 1.00 0.00 C ATOM 319 C ASP A 22 -9.213 -9.713 -7.377 1.00 0.00 C ATOM 320 O ASP A 22 -9.285 -8.600 -7.896 1.00 0.00 O ATOM 321 CB ASP A 22 -7.856 -11.047 -8.933 1.00 0.00 C ATOM 322 CG ASP A 22 -6.533 -11.698 -9.301 1.00 0.00 C ATOM 323 OD1 ASP A 22 -6.282 -12.844 -8.860 1.00 0.00 O ATOM 324 OD2 ASP A 22 -5.792 -11.131 -10.137 1.00 0.00 O ATOM 0 H ASP A 22 -7.775 -12.553 -6.999 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.072 -9.898 -7.241 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.658 -11.769 -9.087 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.040 -10.216 -9.614 1.00 0.00 H new ATOM 329 N GLU A 23 -10.250 -10.302 -6.788 1.00 0.00 N ATOM 330 CA GLU A 23 -11.617 -9.808 -6.815 1.00 0.00 C ATOM 331 C GLU A 23 -11.750 -8.779 -5.701 1.00 0.00 C ATOM 332 O GLU A 23 -11.844 -7.584 -5.963 1.00 0.00 O ATOM 333 CB GLU A 23 -12.613 -10.992 -6.746 1.00 0.00 C ATOM 334 CG GLU A 23 -12.138 -12.163 -7.634 1.00 0.00 C ATOM 335 CD GLU A 23 -13.254 -13.014 -8.226 1.00 0.00 C ATOM 336 OE1 GLU A 23 -13.703 -12.660 -9.338 1.00 0.00 O ATOM 337 OE2 GLU A 23 -13.496 -14.157 -7.759 1.00 0.00 O ATOM 0 H GLU A 23 -10.154 -11.169 -6.260 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.864 -9.304 -7.750 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.712 -11.329 -5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.600 -10.662 -7.070 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.537 -11.761 -8.449 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.485 -12.806 -7.043 1.00 0.00 H new ATOM 344 N GLU A 24 -11.629 -9.237 -4.458 1.00 0.00 N ATOM 345 CA GLU A 24 -11.655 -8.420 -3.261 1.00 0.00 C ATOM 346 C GLU A 24 -10.525 -7.382 -3.252 1.00 0.00 C ATOM 347 O GLU A 24 -10.701 -6.288 -2.713 1.00 0.00 O ATOM 348 CB GLU A 24 -11.609 -9.407 -2.091 1.00 0.00 C ATOM 349 CG GLU A 24 -11.143 -8.814 -0.767 1.00 0.00 C ATOM 350 CD GLU A 24 -11.622 -9.653 0.413 1.00 0.00 C ATOM 351 OE1 GLU A 24 -11.479 -10.901 0.410 1.00 0.00 O ATOM 352 OE2 GLU A 24 -12.263 -9.078 1.316 1.00 0.00 O ATOM 0 H GLU A 24 -11.505 -10.229 -4.255 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.556 -7.809 -3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.604 -9.830 -1.952 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.947 -10.231 -2.356 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.055 -8.754 -0.756 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.520 -7.796 -0.669 1.00 0.00 H new ATOM 359 N TYR A 25 -9.391 -7.675 -3.901 1.00 0.00 N ATOM 360 CA TYR A 25 -8.330 -6.698 -4.077 1.00 0.00 C ATOM 361 C TYR A 25 -8.859 -5.387 -4.683 1.00 0.00 C ATOM 362 O TYR A 25 -8.455 -4.311 -4.235 1.00 0.00 O ATOM 363 CB TYR A 25 -7.200 -7.293 -4.930 1.00 0.00 C ATOM 364 CG TYR A 25 -6.050 -6.339 -5.195 1.00 0.00 C ATOM 365 CD1 TYR A 25 -6.176 -5.324 -6.168 1.00 0.00 C ATOM 366 CD2 TYR A 25 -4.863 -6.451 -4.446 1.00 0.00 C ATOM 367 CE1 TYR A 25 -5.137 -4.399 -6.363 1.00 0.00 C ATOM 368 CE2 TYR A 25 -3.800 -5.556 -4.664 1.00 0.00 C ATOM 369 CZ TYR A 25 -3.949 -4.504 -5.604 1.00 0.00 C ATOM 370 OH TYR A 25 -2.932 -3.619 -5.806 1.00 0.00 O ATOM 0 H TYR A 25 -9.192 -8.587 -4.311 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.928 -6.452 -3.094 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.812 -8.181 -4.431 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.614 -7.619 -5.884 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.074 -5.258 -6.764 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.768 -7.227 -3.701 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.246 -3.609 -7.091 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.875 -5.669 -4.118 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.121 -3.946 -5.364 1.00 0.00 H new ATOM 380 N GLU A 26 -9.713 -5.456 -5.708 1.00 0.00 N ATOM 381 CA GLU A 26 -10.175 -4.310 -6.457 1.00 0.00 C ATOM 382 C GLU A 26 -11.200 -3.572 -5.586 1.00 0.00 C ATOM 383 O GLU A 26 -11.108 -2.349 -5.465 1.00 0.00 O ATOM 384 CB GLU A 26 -10.794 -4.845 -7.757 1.00 0.00 C ATOM 385 CG GLU A 26 -9.835 -4.910 -8.958 1.00 0.00 C ATOM 386 CD GLU A 26 -9.289 -3.571 -9.462 1.00 0.00 C ATOM 387 OE1 GLU A 26 -9.996 -2.858 -10.210 1.00 0.00 O ATOM 388 OE2 GLU A 26 -8.086 -3.293 -9.251 1.00 0.00 O ATOM 0 H GLU A 26 -10.105 -6.337 -6.039 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.379 -3.610 -6.711 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.186 -5.845 -7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.643 -4.215 -8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.991 -5.544 -8.688 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.352 -5.401 -9.783 1.00 0.00 H new ATOM 395 N GLU A 27 -12.113 -4.311 -4.936 1.00 0.00 N ATOM 396 CA GLU A 27 -13.161 -3.758 -4.075 1.00 0.00 C ATOM 397 C GLU A 27 -12.563 -2.887 -2.969 1.00 0.00 C ATOM 398 O GLU A 27 -13.083 -1.813 -2.654 1.00 0.00 O ATOM 399 CB GLU A 27 -13.978 -4.877 -3.399 1.00 0.00 C ATOM 400 CG GLU A 27 -14.620 -5.918 -4.322 1.00 0.00 C ATOM 401 CD GLU A 27 -15.538 -6.848 -3.514 1.00 0.00 C ATOM 402 OE1 GLU A 27 -15.047 -7.748 -2.795 1.00 0.00 O ATOM 403 OE2 GLU A 27 -16.774 -6.645 -3.552 1.00 0.00 O ATOM 0 H GLU A 27 -12.141 -5.329 -4.998 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.807 -3.160 -4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.325 -5.400 -2.700 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.768 -4.412 -2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.193 -5.418 -5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.845 -6.502 -4.819 1.00 0.00 H new ATOM 410 N ILE A 28 -11.487 -3.375 -2.350 1.00 0.00 N ATOM 411 CA ILE A 28 -10.825 -2.715 -1.238 1.00 0.00 C ATOM 412 C ILE A 28 -10.153 -1.428 -1.730 1.00 0.00 C ATOM 413 O ILE A 28 -10.238 -0.408 -1.049 1.00 0.00 O ATOM 414 CB ILE A 28 -9.863 -3.717 -0.559 1.00 0.00 C ATOM 415 CG1 ILE A 28 -10.680 -4.758 0.245 1.00 0.00 C ATOM 416 CG2 ILE A 28 -8.865 -3.007 0.370 1.00 0.00 C ATOM 417 CD1 ILE A 28 -9.851 -5.933 0.782 1.00 0.00 C ATOM 0 H ILE A 28 -11.048 -4.256 -2.617 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.538 -2.405 -0.475 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.291 -4.217 -1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.162 -4.255 1.084 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.474 -5.149 -0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.206 -3.745 0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.271 -2.299 -0.208 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.409 -2.473 1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -10.500 -6.614 1.332 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.390 -6.464 -0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.074 -5.556 1.446 1.00 0.00 H new ATOM 429 N VAL A 29 -9.485 -1.428 -2.889 1.00 0.00 N ATOM 430 CA VAL A 29 -8.799 -0.226 -3.369 1.00 0.00 C ATOM 431 C VAL A 29 -9.815 0.917 -3.526 1.00 0.00 C ATOM 432 O VAL A 29 -9.501 2.061 -3.183 1.00 0.00 O ATOM 433 CB VAL A 29 -8.024 -0.530 -4.668 1.00 0.00 C ATOM 434 CG1 VAL A 29 -7.508 0.732 -5.379 1.00 0.00 C ATOM 435 CG2 VAL A 29 -6.794 -1.406 -4.372 1.00 0.00 C ATOM 0 H VAL A 29 -9.406 -2.237 -3.505 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.057 0.098 -2.639 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.740 -1.037 -5.315 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.973 0.446 -6.284 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.351 1.372 -5.642 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.835 1.274 -4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.260 -1.610 -5.300 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.133 -0.883 -3.681 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.116 -2.346 -3.925 1.00 0.00 H new ATOM 445 N GLU A 30 -11.022 0.632 -4.025 1.00 0.00 N ATOM 446 CA GLU A 30 -12.030 1.664 -4.239 1.00 0.00 C ATOM 447 C GLU A 30 -12.618 2.182 -2.929 1.00 0.00 C ATOM 448 O GLU A 30 -12.975 3.364 -2.838 1.00 0.00 O ATOM 449 CB GLU A 30 -13.175 1.153 -5.120 1.00 0.00 C ATOM 450 CG GLU A 30 -12.740 0.678 -6.515 1.00 0.00 C ATOM 451 CD GLU A 30 -13.752 1.114 -7.580 1.00 0.00 C ATOM 452 OE1 GLU A 30 -14.960 0.798 -7.444 1.00 0.00 O ATOM 453 OE2 GLU A 30 -13.343 1.794 -8.549 1.00 0.00 O ATOM 0 H GLU A 30 -11.321 -0.307 -4.287 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.515 2.483 -4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.671 0.329 -4.608 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.912 1.948 -5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.757 1.086 -6.753 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.645 -0.408 -6.521 1.00 0.00 H new ATOM 460 N ASP A 31 -12.718 1.318 -1.922 1.00 0.00 N ATOM 461 CA ASP A 31 -13.211 1.705 -0.607 1.00 0.00 C ATOM 462 C ASP A 31 -12.243 2.666 0.071 1.00 0.00 C ATOM 463 O ASP A 31 -12.657 3.656 0.680 1.00 0.00 O ATOM 464 CB ASP A 31 -13.429 0.482 0.282 1.00 0.00 C ATOM 465 CG ASP A 31 -13.925 0.922 1.658 1.00 0.00 C ATOM 466 OD1 ASP A 31 -15.015 1.532 1.721 1.00 0.00 O ATOM 467 OD2 ASP A 31 -13.206 0.676 2.657 1.00 0.00 O ATOM 0 H ASP A 31 -12.460 0.334 -1.996 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.168 2.206 -0.750 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -14.155 -0.189 -0.178 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.498 -0.076 0.383 1.00 0.00 H new ATOM 472 N VAL A 32 -10.944 2.403 -0.062 1.00 0.00 N ATOM 473 CA VAL A 32 -9.927 3.199 0.612 1.00 0.00 C ATOM 474 C VAL A 32 -9.719 4.496 -0.145 1.00 0.00 C ATOM 475 O VAL A 32 -9.573 5.532 0.503 1.00 0.00 O ATOM 476 CB VAL A 32 -8.622 2.397 0.769 1.00 0.00 C ATOM 477 CG1 VAL A 32 -7.539 3.234 1.471 1.00 0.00 C ATOM 478 CG2 VAL A 32 -8.894 1.148 1.618 1.00 0.00 C ATOM 0 H VAL A 32 -10.573 1.643 -0.632 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.263 3.447 1.619 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.271 2.122 -0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.628 2.643 1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.330 4.127 0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.890 3.526 2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.972 0.577 1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.258 1.448 2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.645 0.530 1.126 1.00 0.00 H new ATOM 488 N ARG A 33 -9.743 4.479 -1.484 1.00 0.00 N ATOM 489 CA ARG A 33 -9.684 5.702 -2.277 1.00 0.00 C ATOM 490 C ARG A 33 -10.757 6.680 -1.805 1.00 0.00 C ATOM 491 O ARG A 33 -10.484 7.876 -1.747 1.00 0.00 O ATOM 492 CB ARG A 33 -9.795 5.342 -3.766 1.00 0.00 C ATOM 493 CG ARG A 33 -9.932 6.556 -4.703 1.00 0.00 C ATOM 494 CD ARG A 33 -10.074 6.048 -6.141 1.00 0.00 C ATOM 495 NE ARG A 33 -10.359 7.115 -7.114 1.00 0.00 N ATOM 496 CZ ARG A 33 -11.565 7.632 -7.392 1.00 0.00 C ATOM 497 NH1 ARG A 33 -12.635 7.345 -6.656 1.00 0.00 N ATOM 498 NH2 ARG A 33 -11.700 8.448 -8.427 1.00 0.00 N ATOM 0 H ARG A 33 -9.803 3.625 -2.038 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.728 6.208 -2.140 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.913 4.771 -4.057 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.657 4.690 -3.907 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.801 7.153 -4.425 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.059 7.203 -4.614 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.155 5.539 -6.431 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.874 5.309 -6.180 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.564 7.498 -7.625 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.551 6.717 -5.857 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.540 7.753 -6.891 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.891 8.678 -9.004 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.613 8.846 -8.647 1.00 0.00 H new ATOM 512 N ASP A 34 -11.933 6.193 -1.409 1.00 0.00 N ATOM 513 CA ASP A 34 -13.005 7.035 -0.889 1.00 0.00 C ATOM 514 C ASP A 34 -12.577 7.740 0.394 1.00 0.00 C ATOM 515 O ASP A 34 -12.928 8.907 0.606 1.00 0.00 O ATOM 516 CB ASP A 34 -14.264 6.213 -0.595 1.00 0.00 C ATOM 517 CG ASP A 34 -15.496 6.892 -1.172 1.00 0.00 C ATOM 518 OD1 ASP A 34 -15.736 8.083 -0.871 1.00 0.00 O ATOM 519 OD2 ASP A 34 -16.172 6.246 -2.003 1.00 0.00 O ATOM 0 H ASP A 34 -12.167 5.201 -1.441 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.225 7.775 -1.658 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.160 5.215 -1.020 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.381 6.090 0.482 1.00 0.00 H new ATOM 524 N GLU A 35 -11.819 7.051 1.250 1.00 0.00 N ATOM 525 CA GLU A 35 -11.464 7.564 2.559 1.00 0.00 C ATOM 526 C GLU A 35 -10.345 8.598 2.435 1.00 0.00 C ATOM 527 O GLU A 35 -10.445 9.700 2.976 1.00 0.00 O ATOM 528 CB GLU A 35 -11.143 6.435 3.554 1.00 0.00 C ATOM 529 CG GLU A 35 -9.684 6.018 3.786 1.00 0.00 C ATOM 530 CD GLU A 35 -9.620 5.185 5.064 1.00 0.00 C ATOM 531 OE1 GLU A 35 -9.537 5.807 6.151 1.00 0.00 O ATOM 532 OE2 GLU A 35 -9.731 3.940 4.986 1.00 0.00 O ATOM 0 H GLU A 35 -11.439 6.126 1.049 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.330 8.076 2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.556 6.725 4.520 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.687 5.549 3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.315 5.441 2.938 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.047 6.898 3.874 1.00 0.00 H new ATOM 539 N CYS A 36 -9.284 8.288 1.682 1.00 0.00 N ATOM 540 CA CYS A 36 -8.235 9.249 1.407 1.00 0.00 C ATOM 541 C CYS A 36 -8.769 10.466 0.642 1.00 0.00 C ATOM 542 O CYS A 36 -8.314 11.588 0.883 1.00 0.00 O ATOM 543 CB CYS A 36 -6.981 8.560 0.831 1.00 0.00 C ATOM 544 SG CYS A 36 -7.223 7.107 -0.198 1.00 0.00 S ATOM 0 H CYS A 36 -9.138 7.373 1.255 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.880 9.682 2.342 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -6.432 9.298 0.245 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -6.341 8.276 1.666 1.00 0.00 H new ATOM 0 HG CYS A 36 -7.979 6.254 0.427 1.00 0.00 H new ATOM 550 N SER A 37 -9.813 10.285 -0.173 1.00 0.00 N ATOM 551 CA SER A 37 -10.535 11.358 -0.845 1.00 0.00 C ATOM 552 C SER A 37 -11.245 12.326 0.137 1.00 0.00 C ATOM 553 O SER A 37 -11.714 13.395 -0.279 1.00 0.00 O ATOM 554 CB SER A 37 -11.460 10.710 -1.892 1.00 0.00 C ATOM 555 OG SER A 37 -12.376 11.589 -2.505 1.00 0.00 O ATOM 0 H SER A 37 -10.186 9.360 -0.386 1.00 0.00 H new ATOM 0 HA SER A 37 -9.837 12.019 -1.359 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.843 10.254 -2.667 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.017 9.905 -1.413 1.00 0.00 H new ATOM 0 HG SER A 37 -12.366 12.450 -2.038 1.00 0.00 H new ATOM 561 N LYS A 38 -11.325 12.043 1.446 1.00 0.00 N ATOM 562 CA LYS A 38 -11.822 13.022 2.424 1.00 0.00 C ATOM 563 C LYS A 38 -10.934 14.271 2.455 1.00 0.00 C ATOM 564 O LYS A 38 -11.460 15.383 2.561 1.00 0.00 O ATOM 565 CB LYS A 38 -11.864 12.412 3.836 1.00 0.00 C ATOM 566 CG LYS A 38 -13.031 11.447 4.086 1.00 0.00 C ATOM 567 CD LYS A 38 -12.722 10.501 5.262 1.00 0.00 C ATOM 568 CE LYS A 38 -14.004 10.051 5.969 1.00 0.00 C ATOM 569 NZ LYS A 38 -13.870 8.736 6.634 1.00 0.00 N ATOM 0 H LYS A 38 -11.053 11.147 1.851 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.829 13.302 2.115 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.928 11.883 4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.917 13.221 4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.937 12.014 4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.224 10.863 3.186 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.181 9.628 4.896 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.069 11.005 5.975 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.285 10.799 6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.815 10.003 5.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.769 8.486 7.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.630 8.012 5.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.117 8.784 7.349 1.00 0.00 H new ATOM 583 N TYR A 39 -9.611 14.088 2.406 1.00 0.00 N ATOM 584 CA TYR A 39 -8.604 15.071 2.826 1.00 0.00 C ATOM 585 C TYR A 39 -8.154 15.995 1.690 1.00 0.00 C ATOM 586 O TYR A 39 -7.423 16.963 1.922 1.00 0.00 O ATOM 587 CB TYR A 39 -7.394 14.311 3.399 1.00 0.00 C ATOM 588 CG TYR A 39 -7.705 13.635 4.721 1.00 0.00 C ATOM 589 CD1 TYR A 39 -8.428 12.430 4.747 1.00 0.00 C ATOM 590 CD2 TYR A 39 -7.368 14.269 5.930 1.00 0.00 C ATOM 591 CE1 TYR A 39 -8.915 11.922 5.961 1.00 0.00 C ATOM 592 CE2 TYR A 39 -7.824 13.749 7.154 1.00 0.00 C ATOM 593 CZ TYR A 39 -8.625 12.587 7.173 1.00 0.00 C ATOM 594 OH TYR A 39 -9.131 12.125 8.349 1.00 0.00 O ATOM 0 H TYR A 39 -9.196 13.222 2.061 1.00 0.00 H new ATOM 0 HA TYR A 39 -9.057 15.715 3.580 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -7.066 13.561 2.679 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.565 15.005 3.536 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.610 11.892 3.828 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.756 15.159 5.918 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -9.512 11.022 5.969 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.561 14.239 8.080 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.831 12.701 9.083 1.00 0.00 H new ATOM 604 N GLY A 40 -8.573 15.702 0.468 1.00 0.00 N ATOM 605 CA GLY A 40 -7.957 16.110 -0.778 1.00 0.00 C ATOM 606 C GLY A 40 -8.168 14.954 -1.727 1.00 0.00 C ATOM 607 O GLY A 40 -9.058 14.133 -1.479 1.00 0.00 O ATOM 0 H GLY A 40 -9.407 15.136 0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.414 17.022 -1.162 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.896 16.318 -0.642 1.00 0.00 H new ATOM 611 N LEU A 41 -7.370 14.851 -2.787 1.00 0.00 N ATOM 612 CA LEU A 41 -7.555 13.807 -3.777 1.00 0.00 C ATOM 613 C LEU A 41 -6.336 12.914 -3.886 1.00 0.00 C ATOM 614 O LEU A 41 -5.236 13.358 -4.207 1.00 0.00 O ATOM 615 CB LEU A 41 -7.934 14.439 -5.098 1.00 0.00 C ATOM 616 CG LEU A 41 -8.340 13.399 -6.165 1.00 0.00 C ATOM 617 CD1 LEU A 41 -9.319 12.287 -5.750 1.00 0.00 C ATOM 618 CD2 LEU A 41 -9.055 14.171 -7.253 1.00 0.00 C ATOM 0 H LEU A 41 -6.590 15.481 -2.978 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.369 13.153 -3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.760 15.132 -4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.093 15.025 -5.470 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.412 12.893 -6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.510 11.634 -6.602 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.885 11.705 -4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.256 12.733 -5.417 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.368 13.485 -8.040 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.931 14.665 -6.833 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.382 14.920 -7.671 1.00 0.00 H new ATOM 630 N VAL A 42 -6.580 11.638 -3.624 1.00 0.00 N ATOM 631 CA VAL A 42 -5.673 10.537 -3.904 1.00 0.00 C ATOM 632 C VAL A 42 -5.720 10.255 -5.404 1.00 0.00 C ATOM 633 O VAL A 42 -6.766 10.355 -6.050 1.00 0.00 O ATOM 634 CB VAL A 42 -5.987 9.340 -2.977 1.00 0.00 C ATOM 635 CG1 VAL A 42 -7.488 9.041 -2.825 1.00 0.00 C ATOM 636 CG2 VAL A 42 -5.249 8.054 -3.381 1.00 0.00 C ATOM 0 H VAL A 42 -7.452 11.330 -3.193 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.636 10.781 -3.674 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.615 9.667 -2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.624 8.188 -2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.992 9.912 -2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.914 8.811 -3.802 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.512 7.252 -2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.538 7.772 -4.393 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.173 8.225 -3.345 1.00 0.00 H new ATOM 646 N LYS A 43 -4.558 9.932 -5.956 1.00 0.00 N ATOM 647 CA LYS A 43 -4.311 9.683 -7.360 1.00 0.00 C ATOM 648 C LYS A 43 -4.292 8.185 -7.608 1.00 0.00 C ATOM 649 O LYS A 43 -5.018 7.710 -8.479 1.00 0.00 O ATOM 650 CB LYS A 43 -2.982 10.342 -7.743 1.00 0.00 C ATOM 651 CG LYS A 43 -2.703 10.292 -9.246 1.00 0.00 C ATOM 652 CD LYS A 43 -3.754 11.036 -10.077 1.00 0.00 C ATOM 653 CE LYS A 43 -4.737 10.037 -10.708 1.00 0.00 C ATOM 654 NZ LYS A 43 -5.812 10.690 -11.473 1.00 0.00 N ATOM 0 H LYS A 43 -3.712 9.832 -5.395 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.100 10.110 -7.979 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.990 11.381 -7.415 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.170 9.846 -7.211 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.721 10.723 -9.442 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.664 9.251 -9.568 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.295 11.740 -9.445 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.265 11.619 -10.858 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.189 9.363 -11.366 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.179 9.425 -9.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.442 9.966 -11.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.357 11.313 -10.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.398 11.253 -12.243 1.00 0.00 H new ATOM 668 N SER A 44 -3.463 7.432 -6.886 1.00 0.00 N ATOM 669 CA SER A 44 -3.426 5.975 -6.996 1.00 0.00 C ATOM 670 C SER A 44 -2.796 5.358 -5.751 1.00 0.00 C ATOM 671 O SER A 44 -1.999 6.003 -5.061 1.00 0.00 O ATOM 672 CB SER A 44 -2.648 5.568 -8.257 1.00 0.00 C ATOM 673 OG SER A 44 -3.472 5.731 -9.397 1.00 0.00 O ATOM 0 H SER A 44 -2.800 7.813 -6.211 1.00 0.00 H new ATOM 0 HA SER A 44 -4.447 5.601 -7.077 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.750 6.178 -8.355 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.322 4.531 -8.177 1.00 0.00 H new ATOM 0 HG SER A 44 -4.285 6.218 -9.146 1.00 0.00 H new ATOM 679 N ILE A 45 -3.147 4.097 -5.493 1.00 0.00 N ATOM 680 CA ILE A 45 -2.739 3.286 -4.354 1.00 0.00 C ATOM 681 C ILE A 45 -2.111 2.026 -4.942 1.00 0.00 C ATOM 682 O ILE A 45 -2.776 1.264 -5.656 1.00 0.00 O ATOM 683 CB ILE A 45 -3.954 2.940 -3.459 1.00 0.00 C ATOM 684 CG1 ILE A 45 -4.558 4.200 -2.816 1.00 0.00 C ATOM 685 CG2 ILE A 45 -3.570 1.966 -2.331 1.00 0.00 C ATOM 686 CD1 ILE A 45 -6.063 4.066 -2.552 1.00 0.00 C ATOM 0 H ILE A 45 -3.767 3.584 -6.120 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.033 3.818 -3.717 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.688 2.471 -4.114 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.045 4.405 -1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.382 5.056 -3.468 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.449 1.747 -1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.188 1.041 -2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.801 2.419 -1.705 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.436 4.984 -2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.583 3.890 -3.493 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.241 3.229 -1.877 1.00 0.00 H new ATOM 698 N GLU A 46 -0.835 1.802 -4.652 1.00 0.00 N ATOM 699 CA GLU A 46 -0.153 0.564 -5.015 1.00 0.00 C ATOM 700 C GLU A 46 -0.205 -0.390 -3.819 1.00 0.00 C ATOM 701 O GLU A 46 0.082 0.008 -2.691 1.00 0.00 O ATOM 702 CB GLU A 46 1.304 0.802 -5.454 1.00 0.00 C ATOM 703 CG GLU A 46 1.797 -0.037 -6.657 1.00 0.00 C ATOM 704 CD GLU A 46 1.306 -1.509 -6.756 1.00 0.00 C ATOM 705 OE1 GLU A 46 0.087 -1.821 -6.766 1.00 0.00 O ATOM 706 OE2 GLU A 46 2.141 -2.414 -6.939 1.00 0.00 O ATOM 0 H GLU A 46 -0.244 2.472 -4.159 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.665 0.127 -5.872 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.420 1.857 -5.701 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.956 0.600 -4.604 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.500 0.478 -7.570 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.887 -0.047 -6.636 1.00 0.00 H new ATOM 713 N ILE A 47 -0.555 -1.652 -4.061 1.00 0.00 N ATOM 714 CA ILE A 47 -0.572 -2.752 -3.098 1.00 0.00 C ATOM 715 C ILE A 47 0.061 -3.937 -3.837 1.00 0.00 C ATOM 716 O ILE A 47 -0.646 -4.646 -4.559 1.00 0.00 O ATOM 717 CB ILE A 47 -1.980 -3.056 -2.505 1.00 0.00 C ATOM 718 CG1 ILE A 47 -2.714 -1.748 -2.142 1.00 0.00 C ATOM 719 CG2 ILE A 47 -1.870 -4.051 -1.320 1.00 0.00 C ATOM 720 CD1 ILE A 47 -4.058 -1.917 -1.439 1.00 0.00 C ATOM 0 H ILE A 47 -0.852 -1.952 -4.990 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.006 -2.498 -2.202 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.591 -3.547 -3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.062 -1.153 -1.502 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.872 -1.176 -3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.864 -4.251 -0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.425 -4.983 -1.668 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.244 -3.619 -0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.486 -0.936 -1.231 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.736 -2.480 -2.081 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.914 -2.456 -0.503 1.00 0.00 H new ATOM 732 N PRO A 48 1.398 -4.092 -3.829 1.00 0.00 N ATOM 733 CA PRO A 48 2.050 -5.270 -4.399 1.00 0.00 C ATOM 734 C PRO A 48 1.428 -6.548 -3.823 1.00 0.00 C ATOM 735 O PRO A 48 1.055 -6.559 -2.651 1.00 0.00 O ATOM 736 CB PRO A 48 3.537 -5.171 -4.037 1.00 0.00 C ATOM 737 CG PRO A 48 3.672 -3.931 -3.146 1.00 0.00 C ATOM 738 CD PRO A 48 2.357 -3.174 -3.241 1.00 0.00 C ATOM 0 HA PRO A 48 1.922 -5.310 -5.481 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.872 -6.066 -3.513 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.151 -5.077 -4.932 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.879 -4.217 -2.115 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.502 -3.306 -3.477 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.026 -2.845 -2.256 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.467 -2.280 -3.855 1.00 0.00 H new ATOM 746 N ARG A 49 1.330 -7.624 -4.605 1.00 0.00 N ATOM 747 CA ARG A 49 0.801 -8.913 -4.146 1.00 0.00 C ATOM 748 C ARG A 49 1.790 -10.021 -4.502 1.00 0.00 C ATOM 749 O ARG A 49 2.478 -9.876 -5.517 1.00 0.00 O ATOM 750 CB ARG A 49 -0.613 -9.193 -4.698 1.00 0.00 C ATOM 751 CG ARG A 49 -0.753 -9.069 -6.222 1.00 0.00 C ATOM 752 CD ARG A 49 -1.218 -7.667 -6.644 1.00 0.00 C ATOM 753 NE ARG A 49 -2.631 -7.676 -7.032 1.00 0.00 N ATOM 754 CZ ARG A 49 -3.251 -6.831 -7.855 1.00 0.00 C ATOM 755 NH1 ARG A 49 -2.630 -5.741 -8.301 1.00 0.00 N ATOM 756 NH2 ARG A 49 -4.503 -7.104 -8.203 1.00 0.00 N ATOM 0 H ARG A 49 1.618 -7.627 -5.584 1.00 0.00 H new ATOM 0 HA ARG A 49 0.691 -8.879 -3.062 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.909 -10.199 -4.402 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.313 -8.503 -4.227 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.204 -9.291 -6.693 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.465 -9.811 -6.582 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.068 -6.967 -5.822 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.611 -7.314 -7.478 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.206 -8.414 -6.625 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.671 -5.547 -8.013 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.113 -5.100 -8.931 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.962 -7.940 -7.842 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.006 -6.477 -8.831 1.00 0.00 H new ATOM 770 N PRO A 50 1.893 -11.095 -3.699 1.00 0.00 N ATOM 771 CA PRO A 50 2.792 -12.208 -3.972 1.00 0.00 C ATOM 772 C PRO A 50 2.436 -12.890 -5.289 1.00 0.00 C ATOM 773 O PRO A 50 1.314 -12.773 -5.793 1.00 0.00 O ATOM 774 CB PRO A 50 2.656 -13.168 -2.785 1.00 0.00 C ATOM 775 CG PRO A 50 1.266 -12.863 -2.247 1.00 0.00 C ATOM 776 CD PRO A 50 1.099 -11.376 -2.516 1.00 0.00 C ATOM 0 HA PRO A 50 3.822 -11.869 -4.080 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.748 -14.209 -3.096 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.426 -12.991 -2.034 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.501 -13.451 -2.755 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.189 -13.090 -1.184 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.051 -11.124 -2.680 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.440 -10.784 -1.667 1.00 0.00 H new ATOM 866 N PRO A 57 9.672 -7.877 -4.049 1.00 0.00 N ATOM 867 CA PRO A 57 10.386 -6.790 -3.398 1.00 0.00 C ATOM 868 C PRO A 57 9.486 -5.556 -3.316 1.00 0.00 C ATOM 869 O PRO A 57 9.150 -4.941 -4.336 1.00 0.00 O ATOM 870 CB PRO A 57 11.648 -6.537 -4.224 1.00 0.00 C ATOM 871 CG PRO A 57 11.324 -7.106 -5.600 1.00 0.00 C ATOM 872 CD PRO A 57 10.244 -8.155 -5.354 1.00 0.00 C ATOM 0 HA PRO A 57 10.665 -7.037 -2.373 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.880 -5.473 -4.279 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.515 -7.030 -3.785 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.970 -6.327 -6.275 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.207 -7.550 -6.061 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.478 -8.109 -6.128 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.668 -9.159 -5.384 1.00 0.00 H new ATOM 880 N GLY A 58 9.090 -5.211 -2.091 1.00 0.00 N ATOM 881 CA GLY A 58 8.179 -4.117 -1.789 1.00 0.00 C ATOM 882 C GLY A 58 6.876 -4.575 -1.150 1.00 0.00 C ATOM 883 O GLY A 58 6.032 -3.735 -0.851 1.00 0.00 O ATOM 0 H GLY A 58 9.407 -5.704 -1.257 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.676 -3.414 -1.120 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.954 -3.577 -2.709 1.00 0.00 H new ATOM 887 N CYS A 59 6.664 -5.876 -0.951 1.00 0.00 N ATOM 888 CA CYS A 59 5.385 -6.374 -0.471 1.00 0.00 C ATOM 889 C CYS A 59 5.113 -5.908 0.965 1.00 0.00 C ATOM 890 O CYS A 59 6.009 -5.913 1.820 1.00 0.00 O ATOM 891 CB CYS A 59 5.348 -7.895 -0.640 1.00 0.00 C ATOM 892 SG CYS A 59 3.637 -8.499 -0.692 1.00 0.00 S ATOM 0 H CYS A 59 7.364 -6.600 -1.116 1.00 0.00 H new ATOM 0 HA CYS A 59 4.572 -5.957 -1.065 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.865 -8.176 -1.558 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.881 -8.370 0.184 1.00 0.00 H new ATOM 0 HG CYS A 59 3.637 -9.791 -0.838 1.00 0.00 H new ATOM 898 N GLY A 60 3.869 -5.493 1.220 1.00 0.00 N ATOM 899 CA GLY A 60 3.362 -5.050 2.516 1.00 0.00 C ATOM 900 C GLY A 60 3.554 -3.554 2.770 1.00 0.00 C ATOM 901 O GLY A 60 3.208 -3.063 3.846 1.00 0.00 O ATOM 0 H GLY A 60 3.156 -5.456 0.491 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.300 -5.288 2.582 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.864 -5.611 3.304 1.00 0.00 H new ATOM 905 N LYS A 61 4.112 -2.817 1.805 1.00 0.00 N ATOM 906 CA LYS A 61 4.240 -1.369 1.833 1.00 0.00 C ATOM 907 C LYS A 61 3.251 -0.868 0.794 1.00 0.00 C ATOM 908 O LYS A 61 3.261 -1.354 -0.335 1.00 0.00 O ATOM 909 CB LYS A 61 5.681 -0.928 1.531 1.00 0.00 C ATOM 910 CG LYS A 61 6.719 -1.563 2.468 1.00 0.00 C ATOM 911 CD LYS A 61 7.313 -2.837 1.848 1.00 0.00 C ATOM 912 CE LYS A 61 8.250 -3.562 2.809 1.00 0.00 C ATOM 913 NZ LYS A 61 8.708 -4.856 2.275 1.00 0.00 N ATOM 0 H LYS A 61 4.498 -3.232 0.957 1.00 0.00 H new ATOM 0 HA LYS A 61 4.023 -0.954 2.817 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.925 -1.187 0.501 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.746 0.157 1.610 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.516 -0.848 2.672 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.253 -1.802 3.424 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.505 -3.508 1.556 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.857 -2.578 0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.114 -2.931 3.016 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.739 -3.724 3.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.273 -5.349 2.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.884 -5.438 2.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.291 -4.696 1.429 1.00 0.00 H new ATOM 927 N ILE A 62 2.328 -0.010 1.209 1.00 0.00 N ATOM 928 CA ILE A 62 1.191 0.411 0.409 1.00 0.00 C ATOM 929 C ILE A 62 1.493 1.866 0.092 1.00 0.00 C ATOM 930 O ILE A 62 1.495 2.716 0.984 1.00 0.00 O ATOM 931 CB ILE A 62 -0.138 0.171 1.160 1.00 0.00 C ATOM 932 CG1 ILE A 62 -0.532 -1.323 1.201 1.00 0.00 C ATOM 933 CG2 ILE A 62 -1.281 0.915 0.452 1.00 0.00 C ATOM 934 CD1 ILE A 62 0.384 -2.238 2.018 1.00 0.00 C ATOM 0 H ILE A 62 2.352 0.421 2.133 1.00 0.00 H new ATOM 0 HA ILE A 62 1.056 -0.158 -0.511 1.00 0.00 H new ATOM 0 HB ILE A 62 0.015 0.532 2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.542 -1.401 1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.567 -1.697 0.178 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.215 0.741 0.987 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.065 1.983 0.436 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.375 0.549 -0.570 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.009 -3.261 1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.393 -2.203 1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.403 -1.902 3.055 1.00 0.00 H new ATOM 946 N PHE A 63 1.871 2.141 -1.146 1.00 0.00 N ATOM 947 CA PHE A 63 2.285 3.477 -1.539 1.00 0.00 C ATOM 948 C PHE A 63 1.047 4.208 -2.035 1.00 0.00 C ATOM 949 O PHE A 63 0.191 3.602 -2.686 1.00 0.00 O ATOM 950 CB PHE A 63 3.384 3.394 -2.595 1.00 0.00 C ATOM 951 CG PHE A 63 4.615 2.643 -2.124 1.00 0.00 C ATOM 952 CD1 PHE A 63 4.629 1.236 -2.163 1.00 0.00 C ATOM 953 CD2 PHE A 63 5.727 3.335 -1.609 1.00 0.00 C ATOM 954 CE1 PHE A 63 5.739 0.522 -1.689 1.00 0.00 C ATOM 955 CE2 PHE A 63 6.848 2.620 -1.150 1.00 0.00 C ATOM 956 CZ PHE A 63 6.855 1.214 -1.188 1.00 0.00 C ATOM 0 H PHE A 63 1.899 1.453 -1.898 1.00 0.00 H new ATOM 0 HA PHE A 63 2.710 4.030 -0.701 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.987 2.905 -3.485 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.673 4.403 -2.888 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.779 0.702 -2.561 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.720 4.414 -1.566 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.736 -0.558 -1.709 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.706 3.152 -0.767 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.716 0.667 -0.833 1.00 0.00 H new ATOM 966 N VAL A 64 0.932 5.496 -1.729 1.00 0.00 N ATOM 967 CA VAL A 64 -0.236 6.286 -2.081 1.00 0.00 C ATOM 968 C VAL A 64 0.278 7.607 -2.648 1.00 0.00 C ATOM 969 O VAL A 64 1.233 8.189 -2.126 1.00 0.00 O ATOM 970 CB VAL A 64 -1.200 6.369 -0.871 1.00 0.00 C ATOM 971 CG1 VAL A 64 -0.630 7.137 0.327 1.00 0.00 C ATOM 972 CG2 VAL A 64 -2.561 6.976 -1.222 1.00 0.00 C ATOM 0 H VAL A 64 1.650 6.020 -1.229 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.854 5.838 -2.859 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.330 5.324 -0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.364 7.151 1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.280 6.647 0.673 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.400 8.160 0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.187 7.005 -0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.421 7.989 -1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.045 6.367 -1.986 1.00 0.00 H new ATOM 982 N GLU A 65 -0.323 8.041 -3.749 1.00 0.00 N ATOM 983 CA GLU A 65 0.009 9.255 -4.486 1.00 0.00 C ATOM 984 C GLU A 65 -1.216 10.171 -4.424 1.00 0.00 C ATOM 985 O GLU A 65 -2.338 9.660 -4.387 1.00 0.00 O ATOM 986 CB GLU A 65 0.374 8.830 -5.919 1.00 0.00 C ATOM 987 CG GLU A 65 0.711 9.980 -6.881 1.00 0.00 C ATOM 988 CD GLU A 65 0.922 9.526 -8.322 1.00 0.00 C ATOM 989 OE1 GLU A 65 0.069 8.791 -8.855 1.00 0.00 O ATOM 990 OE2 GLU A 65 1.923 9.954 -8.953 1.00 0.00 O ATOM 0 H GLU A 65 -1.096 7.529 -4.175 1.00 0.00 H new ATOM 0 HA GLU A 65 0.856 9.802 -4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.228 8.155 -5.873 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.459 8.263 -6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.095 10.714 -6.854 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.612 10.483 -6.531 1.00 0.00 H new ATOM 997 N PHE A 66 -1.036 11.492 -4.431 1.00 0.00 N ATOM 998 CA PHE A 66 -2.098 12.500 -4.364 1.00 0.00 C ATOM 999 C PHE A 66 -1.909 13.534 -5.476 1.00 0.00 C ATOM 1000 O PHE A 66 -0.872 13.566 -6.134 1.00 0.00 O ATOM 1001 CB PHE A 66 -2.113 13.167 -2.977 1.00 0.00 C ATOM 1002 CG PHE A 66 -2.840 12.391 -1.890 1.00 0.00 C ATOM 1003 CD1 PHE A 66 -2.283 11.217 -1.349 1.00 0.00 C ATOM 1004 CD2 PHE A 66 -4.078 12.852 -1.403 1.00 0.00 C ATOM 1005 CE1 PHE A 66 -2.963 10.509 -0.345 1.00 0.00 C ATOM 1006 CE2 PHE A 66 -4.774 12.130 -0.419 1.00 0.00 C ATOM 1007 CZ PHE A 66 -4.213 10.958 0.110 1.00 0.00 C ATOM 0 H PHE A 66 -0.106 11.908 -4.486 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.063 12.015 -4.512 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.083 13.328 -2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.575 14.150 -3.070 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.329 10.859 -1.707 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.497 13.769 -1.790 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.524 9.618 0.078 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.736 12.476 -0.071 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.743 10.401 0.868 1.00 0.00 H new ATOM 1017 N THR A 67 -2.910 14.386 -5.699 1.00 0.00 N ATOM 1018 CA THR A 67 -2.953 15.378 -6.777 1.00 0.00 C ATOM 1019 C THR A 67 -1.963 16.542 -6.599 1.00 0.00 C ATOM 1020 O THR A 67 -1.914 17.432 -7.455 1.00 0.00 O ATOM 1021 CB THR A 67 -4.381 15.935 -6.865 1.00 0.00 C ATOM 1022 OG1 THR A 67 -4.825 16.349 -5.581 1.00 0.00 O ATOM 1023 CG2 THR A 67 -5.351 14.885 -7.405 1.00 0.00 C ATOM 0 H THR A 67 -3.745 14.406 -5.113 1.00 0.00 H new ATOM 0 HA THR A 67 -2.656 14.867 -7.693 1.00 0.00 H new ATOM 0 HB THR A 67 -4.362 16.785 -7.547 1.00 0.00 H new ATOM 0 HG1 THR A 67 -5.736 16.704 -5.649 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.354 15.308 -7.456 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.036 14.577 -8.402 1.00 0.00 H new ATOM 0 HG23 THR A 67 -5.356 14.019 -6.743 1.00 0.00 H new ATOM 1031 N SER A 68 -1.248 16.599 -5.472 1.00 0.00 N ATOM 1032 CA SER A 68 -0.195 17.553 -5.170 1.00 0.00 C ATOM 1033 C SER A 68 0.478 17.116 -3.880 1.00 0.00 C ATOM 1034 O SER A 68 -0.066 16.334 -3.094 1.00 0.00 O ATOM 1035 CB SER A 68 -0.796 18.956 -5.022 1.00 0.00 C ATOM 1036 OG SER A 68 0.114 19.952 -4.595 1.00 0.00 O ATOM 0 H SER A 68 -1.403 15.941 -4.708 1.00 0.00 H new ATOM 0 HA SER A 68 0.540 17.585 -5.974 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.218 19.257 -5.981 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.621 18.909 -4.311 1.00 0.00 H new ATOM 0 HG SER A 68 -0.350 20.813 -4.529 1.00 0.00 H new ATOM 1042 N VAL A 69 1.644 17.710 -3.642 1.00 0.00 N ATOM 1043 CA VAL A 69 2.376 17.633 -2.385 1.00 0.00 C ATOM 1044 C VAL A 69 1.451 18.036 -1.238 1.00 0.00 C ATOM 1045 O VAL A 69 1.380 17.337 -0.226 1.00 0.00 O ATOM 1046 CB VAL A 69 3.630 18.533 -2.424 1.00 0.00 C ATOM 1047 CG1 VAL A 69 4.479 18.338 -1.167 1.00 0.00 C ATOM 1048 CG2 VAL A 69 4.495 18.258 -3.651 1.00 0.00 C ATOM 0 H VAL A 69 2.120 18.277 -4.344 1.00 0.00 H new ATOM 0 HA VAL A 69 2.713 16.608 -2.229 1.00 0.00 H new ATOM 0 HB VAL A 69 3.272 19.561 -2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.357 18.982 -1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.890 18.595 -0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.796 17.297 -1.100 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.366 18.914 -3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.823 17.219 -3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.915 18.445 -4.555 1.00 0.00 H new ATOM 1058 N PHE A 70 0.738 19.153 -1.393 1.00 0.00 N ATOM 1059 CA PHE A 70 -0.057 19.747 -0.330 1.00 0.00 C ATOM 1060 C PHE A 70 -1.154 18.780 0.114 1.00 0.00 C ATOM 1061 O PHE A 70 -1.319 18.556 1.309 1.00 0.00 O ATOM 1062 CB PHE A 70 -0.709 21.038 -0.843 1.00 0.00 C ATOM 1063 CG PHE A 70 0.187 22.257 -0.985 1.00 0.00 C ATOM 1064 CD1 PHE A 70 0.903 22.499 -2.172 1.00 0.00 C ATOM 1065 CD2 PHE A 70 0.230 23.213 0.045 1.00 0.00 C ATOM 1066 CE1 PHE A 70 1.618 23.697 -2.339 1.00 0.00 C ATOM 1067 CE2 PHE A 70 0.936 24.417 -0.133 1.00 0.00 C ATOM 1068 CZ PHE A 70 1.625 24.669 -1.328 1.00 0.00 C ATOM 0 H PHE A 70 0.699 19.672 -2.270 1.00 0.00 H new ATOM 0 HA PHE A 70 0.594 19.965 0.516 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.153 20.829 -1.816 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.526 21.295 -0.169 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.903 21.760 -2.959 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.281 23.022 0.977 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.166 23.871 -3.253 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.947 25.153 0.657 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.154 25.600 -1.468 1.00 0.00 H new ATOM 1078 N ASP A 71 -1.893 18.210 -0.839 1.00 0.00 N ATOM 1079 CA ASP A 71 -3.011 17.303 -0.581 1.00 0.00 C ATOM 1080 C ASP A 71 -2.528 16.066 0.161 1.00 0.00 C ATOM 1081 O ASP A 71 -3.165 15.615 1.115 1.00 0.00 O ATOM 1082 CB ASP A 71 -3.693 16.927 -1.906 1.00 0.00 C ATOM 1083 CG ASP A 71 -4.641 18.036 -2.344 1.00 0.00 C ATOM 1084 OD1 ASP A 71 -4.159 19.120 -2.748 1.00 0.00 O ATOM 1085 OD2 ASP A 71 -5.861 17.878 -2.118 1.00 0.00 O ATOM 0 H ASP A 71 -1.727 18.370 -1.833 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.743 17.805 0.051 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.940 16.758 -2.676 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.244 15.994 -1.788 1.00 0.00 H new ATOM 1090 N CYS A 72 -1.357 15.575 -0.245 1.00 0.00 N ATOM 1091 CA CYS A 72 -0.697 14.433 0.359 1.00 0.00 C ATOM 1092 C CYS A 72 -0.344 14.759 1.812 1.00 0.00 C ATOM 1093 O CYS A 72 -0.618 13.970 2.713 1.00 0.00 O ATOM 1094 CB CYS A 72 0.544 14.065 -0.473 1.00 0.00 C ATOM 1095 SG CYS A 72 0.804 12.274 -0.449 1.00 0.00 S ATOM 0 H CYS A 72 -0.833 15.976 -1.023 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.359 13.567 0.368 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.417 14.408 -1.500 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.422 14.573 -0.074 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.338 11.668 -0.586 1.00 0.00 H new ATOM 1101 N GLN A 73 0.199 15.957 2.050 1.00 0.00 N ATOM 1102 CA GLN A 73 0.546 16.480 3.365 1.00 0.00 C ATOM 1103 C GLN A 73 -0.646 16.391 4.315 1.00 0.00 C ATOM 1104 O GLN A 73 -0.510 15.851 5.411 1.00 0.00 O ATOM 1105 CB GLN A 73 1.050 17.932 3.232 1.00 0.00 C ATOM 1106 CG GLN A 73 2.488 18.074 3.713 1.00 0.00 C ATOM 1107 CD GLN A 73 3.105 19.383 3.250 1.00 0.00 C ATOM 1108 OE1 GLN A 73 2.841 20.448 3.793 1.00 0.00 O ATOM 1109 NE2 GLN A 73 3.935 19.320 2.224 1.00 0.00 N ATOM 0 H GLN A 73 0.416 16.611 1.298 1.00 0.00 H new ATOM 0 HA GLN A 73 1.347 15.874 3.789 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.981 18.247 2.191 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.406 18.595 3.809 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.515 18.023 4.801 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.081 17.239 3.340 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.140 18.421 1.788 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.371 20.170 1.868 1.00 0.00 H new ATOM 1118 N LYS A 74 -1.809 16.907 3.903 1.00 0.00 N ATOM 1119 CA LYS A 74 -3.001 16.930 4.743 1.00 0.00 C ATOM 1120 C LYS A 74 -3.405 15.505 5.099 1.00 0.00 C ATOM 1121 O LYS A 74 -3.682 15.213 6.265 1.00 0.00 O ATOM 1122 CB LYS A 74 -4.162 17.662 4.049 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.755 18.987 3.382 1.00 0.00 C ATOM 1124 CD LYS A 74 -4.918 19.983 3.358 1.00 0.00 C ATOM 1125 CE LYS A 74 -4.545 21.238 2.555 1.00 0.00 C ATOM 1126 NZ LYS A 74 -5.690 22.166 2.408 1.00 0.00 N ATOM 0 H LYS A 74 -1.946 17.318 2.980 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.768 17.477 5.656 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.594 17.004 3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.943 17.861 4.783 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.913 19.422 3.919 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.418 18.795 2.363 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.797 19.512 2.918 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.184 20.264 4.377 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.722 21.754 3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.188 20.944 1.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.394 22.999 1.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.467 21.683 1.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.015 22.468 3.349 1.00 0.00 H new ATOM 1140 N ALA A 75 -3.445 14.624 4.098 1.00 0.00 N ATOM 1141 CA ALA A 75 -3.853 13.244 4.283 1.00 0.00 C ATOM 1142 C ALA A 75 -2.868 12.458 5.151 1.00 0.00 C ATOM 1143 O ALA A 75 -3.299 11.557 5.872 1.00 0.00 O ATOM 1144 CB ALA A 75 -4.011 12.582 2.916 1.00 0.00 C ATOM 0 H ALA A 75 -3.193 14.855 3.137 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.806 13.239 4.812 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.318 11.544 3.048 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.768 13.114 2.340 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.060 12.615 2.384 1.00 0.00 H new ATOM 1150 N MET A 76 -1.566 12.762 5.096 1.00 0.00 N ATOM 1151 CA MET A 76 -0.558 11.996 5.822 1.00 0.00 C ATOM 1152 C MET A 76 -0.823 12.099 7.316 1.00 0.00 C ATOM 1153 O MET A 76 -1.226 11.132 7.956 1.00 0.00 O ATOM 1154 CB MET A 76 0.878 12.327 5.378 1.00 0.00 C ATOM 1155 CG MET A 76 1.730 13.378 6.097 1.00 0.00 C ATOM 1156 SD MET A 76 2.623 12.810 7.574 1.00 0.00 S ATOM 1157 CE MET A 76 3.905 11.784 6.799 1.00 0.00 C ATOM 0 H MET A 76 -1.189 13.538 4.552 1.00 0.00 H new ATOM 0 HA MET A 76 -0.647 10.940 5.565 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.439 11.393 5.409 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.821 12.630 4.333 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.457 13.774 5.388 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.082 14.206 6.385 1.00 0.00 H new ATOM 0 HE1 MET A 76 4.692 11.576 7.524 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.465 10.846 6.461 1.00 0.00 H new ATOM 0 HE3 MET A 76 4.329 12.314 5.946 1.00 0.00 H new ATOM 1167 N GLN A 77 -0.689 13.299 7.866 1.00 0.00 N ATOM 1168 CA GLN A 77 -0.853 13.528 9.289 1.00 0.00 C ATOM 1169 C GLN A 77 -2.313 13.375 9.711 1.00 0.00 C ATOM 1170 O GLN A 77 -2.575 13.032 10.863 1.00 0.00 O ATOM 1171 CB GLN A 77 -0.243 14.882 9.658 1.00 0.00 C ATOM 1172 CG GLN A 77 -0.911 16.016 8.884 1.00 0.00 C ATOM 1173 CD GLN A 77 -0.323 17.387 9.181 1.00 0.00 C ATOM 1174 OE1 GLN A 77 -1.061 18.304 9.515 1.00 0.00 O ATOM 1175 NE2 GLN A 77 0.974 17.584 9.011 1.00 0.00 N ATOM 0 H GLN A 77 -0.463 14.140 7.334 1.00 0.00 H new ATOM 0 HA GLN A 77 -0.313 12.767 9.852 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.353 15.054 10.729 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.826 14.873 9.445 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.823 15.816 7.816 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -1.975 16.028 9.120 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.575 16.809 8.732 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.373 18.511 9.159 1.00 0.00 H new ATOM 1184 N GLY A 78 -3.253 13.563 8.782 1.00 0.00 N ATOM 1185 CA GLY A 78 -4.670 13.382 9.038 1.00 0.00 C ATOM 1186 C GLY A 78 -5.033 11.924 9.312 1.00 0.00 C ATOM 1187 O GLY A 78 -6.040 11.666 9.975 1.00 0.00 O ATOM 0 H GLY A 78 -3.043 13.847 7.825 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.963 13.993 9.892 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.240 13.740 8.180 1.00 0.00 H new ATOM 1191 N LEU A 79 -4.229 10.969 8.826 1.00 0.00 N ATOM 1192 CA LEU A 79 -4.546 9.542 8.850 1.00 0.00 C ATOM 1193 C LEU A 79 -3.419 8.700 9.471 1.00 0.00 C ATOM 1194 O LEU A 79 -3.615 7.506 9.699 1.00 0.00 O ATOM 1195 CB LEU A 79 -4.892 9.075 7.421 1.00 0.00 C ATOM 1196 CG LEU A 79 -6.171 9.703 6.821 1.00 0.00 C ATOM 1197 CD1 LEU A 79 -6.298 9.418 5.323 1.00 0.00 C ATOM 1198 CD2 LEU A 79 -7.416 9.152 7.518 1.00 0.00 C ATOM 0 H LEU A 79 -3.326 11.174 8.399 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.413 9.392 9.494 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.051 9.304 6.766 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.006 7.991 7.427 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.092 10.779 6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.210 9.877 4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.437 9.833 4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.338 8.341 5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.307 9.605 7.083 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.458 8.071 7.387 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.372 9.387 8.581 1.00 0.00 H new ATOM 1210 N THR A 80 -2.259 9.278 9.798 1.00 0.00 N ATOM 1211 CA THR A 80 -1.220 8.561 10.533 1.00 0.00 C ATOM 1212 C THR A 80 -1.808 8.120 11.881 1.00 0.00 C ATOM 1213 O THR A 80 -2.572 8.855 12.508 1.00 0.00 O ATOM 1214 CB THR A 80 0.068 9.405 10.643 1.00 0.00 C ATOM 1215 OG1 THR A 80 1.219 8.595 10.826 1.00 0.00 O ATOM 1216 CG2 THR A 80 0.042 10.404 11.796 1.00 0.00 C ATOM 0 H THR A 80 -2.019 10.241 9.564 1.00 0.00 H new ATOM 0 HA THR A 80 -0.909 7.663 9.999 1.00 0.00 H new ATOM 0 HB THR A 80 0.115 9.943 9.696 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.014 9.165 10.889 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.978 10.963 11.814 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.791 11.094 11.661 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.080 9.869 12.738 1.00 0.00 H new ATOM 1224 N GLY A 81 -1.448 6.928 12.343 1.00 0.00 N ATOM 1225 CA GLY A 81 -1.942 6.319 13.570 1.00 0.00 C ATOM 1226 C GLY A 81 -3.318 5.666 13.431 1.00 0.00 C ATOM 1227 O GLY A 81 -3.809 5.114 14.414 1.00 0.00 O ATOM 0 H GLY A 81 -0.777 6.337 11.852 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.227 5.567 13.904 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.990 7.081 14.348 1.00 0.00 H new ATOM 1231 N ARG A 82 -3.973 5.709 12.264 1.00 0.00 N ATOM 1232 CA ARG A 82 -5.229 5.009 12.047 1.00 0.00 C ATOM 1233 C ARG A 82 -5.018 3.520 11.804 1.00 0.00 C ATOM 1234 O ARG A 82 -3.901 3.011 11.882 1.00 0.00 O ATOM 1235 CB ARG A 82 -5.965 5.678 10.887 1.00 0.00 C ATOM 1236 CG ARG A 82 -6.503 7.053 11.307 1.00 0.00 C ATOM 1237 CD ARG A 82 -7.790 7.304 10.539 1.00 0.00 C ATOM 1238 NE ARG A 82 -8.448 8.565 10.880 1.00 0.00 N ATOM 1239 CZ ARG A 82 -9.619 8.931 10.354 1.00 0.00 C ATOM 1240 NH1 ARG A 82 -10.196 8.170 9.436 1.00 0.00 N ATOM 1241 NH2 ARG A 82 -10.205 10.050 10.754 1.00 0.00 N ATOM 0 H ARG A 82 -3.643 6.230 11.452 1.00 0.00 H new ATOM 0 HA ARG A 82 -5.839 5.077 12.948 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.291 5.790 10.038 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -6.789 5.044 10.559 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.688 7.079 12.381 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -5.771 7.832 11.091 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -7.571 7.297 9.471 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -8.481 6.482 10.729 1.00 0.00 H new ATOM 0 HE ARG A 82 -7.994 9.190 11.546 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -9.746 7.307 9.133 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -11.091 8.447 9.033 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -9.761 10.632 11.464 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -11.100 10.329 10.352 1.00 0.00 H new ATOM 1255 N LYS A 83 -6.101 2.815 11.488 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.122 1.444 11.009 1.00 0.00 C ATOM 1257 C LYS A 83 -6.752 1.496 9.619 1.00 0.00 C ATOM 1258 O LYS A 83 -7.804 2.115 9.485 1.00 0.00 O ATOM 1259 CB LYS A 83 -6.959 0.605 11.988 1.00 0.00 C ATOM 1260 CG LYS A 83 -6.348 0.562 13.400 1.00 0.00 C ATOM 1261 CD LYS A 83 -7.294 -0.118 14.399 1.00 0.00 C ATOM 1262 CE LYS A 83 -6.570 -0.367 15.732 1.00 0.00 C ATOM 1263 NZ LYS A 83 -6.732 -1.763 16.188 1.00 0.00 N ATOM 0 H LYS A 83 -7.038 3.211 11.565 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.133 0.990 10.950 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.967 1.016 12.044 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.051 -0.411 11.604 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.400 0.025 13.372 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.130 1.576 13.735 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.171 0.508 14.565 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.650 -1.063 13.988 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.510 -0.142 15.618 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.960 0.312 16.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.136 -1.926 17.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.728 -1.935 16.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.447 -2.412 15.427 1.00 0.00 H new ATOM 1277 N PHE A 84 -6.147 0.894 8.588 1.00 0.00 N ATOM 1278 CA PHE A 84 -6.758 0.766 7.250 1.00 0.00 C ATOM 1279 C PHE A 84 -7.200 -0.681 6.989 1.00 0.00 C ATOM 1280 O PHE A 84 -7.598 -1.045 5.888 1.00 0.00 O ATOM 1281 CB PHE A 84 -5.779 1.254 6.153 1.00 0.00 C ATOM 1282 CG PHE A 84 -5.811 2.730 5.756 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -6.246 3.729 6.651 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -5.429 3.106 4.447 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -6.290 5.071 6.239 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -5.426 4.456 4.045 1.00 0.00 C ATOM 1287 CZ PHE A 84 -5.863 5.430 4.949 1.00 0.00 C ATOM 0 H PHE A 84 -5.217 0.479 8.653 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.645 1.399 7.217 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.767 1.021 6.483 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.965 0.664 5.255 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.545 3.462 7.654 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.134 2.343 3.742 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.653 5.830 6.916 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -5.092 4.734 3.056 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.872 6.468 4.653 1.00 0.00 H new ATOM 1297 N ALA A 85 -7.233 -1.484 8.039 1.00 0.00 N ATOM 1298 CA ALA A 85 -7.743 -2.842 8.096 1.00 0.00 C ATOM 1299 C ALA A 85 -7.940 -3.118 9.574 1.00 0.00 C ATOM 1300 O ALA A 85 -9.066 -3.036 10.068 1.00 0.00 O ATOM 1301 CB ALA A 85 -6.803 -3.835 7.404 1.00 0.00 C ATOM 0 H ALA A 85 -6.876 -1.178 8.944 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.680 -2.960 7.553 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.222 -4.839 7.470 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.688 -3.558 6.356 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.829 -3.816 7.893 1.00 0.00 H new ATOM 1307 N ASN A 86 -6.855 -3.348 10.318 1.00 0.00 N ATOM 1308 CA ASN A 86 -6.947 -3.503 11.766 1.00 0.00 C ATOM 1309 C ASN A 86 -5.744 -2.982 12.541 1.00 0.00 C ATOM 1310 O ASN A 86 -5.834 -2.875 13.763 1.00 0.00 O ATOM 1311 CB ASN A 86 -7.233 -4.974 12.126 1.00 0.00 C ATOM 1312 CG ASN A 86 -8.510 -5.054 12.946 1.00 0.00 C ATOM 1313 OD1 ASN A 86 -8.481 -5.255 14.154 1.00 0.00 O ATOM 1314 ND2 ASN A 86 -9.648 -4.875 12.300 1.00 0.00 N ATOM 0 H ASN A 86 -5.910 -3.430 9.942 1.00 0.00 H new ATOM 0 HA ASN A 86 -7.779 -2.872 12.078 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -7.333 -5.569 11.218 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -6.399 -5.391 12.690 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -10.532 -4.902 12.808 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -9.643 -4.709 11.294 1.00 0.00 H new ATOM 1321 N ARG A 87 -4.628 -2.666 11.877 1.00 0.00 N ATOM 1322 CA ARG A 87 -3.328 -2.457 12.526 1.00 0.00 C ATOM 1323 C ARG A 87 -2.789 -1.070 12.216 1.00 0.00 C ATOM 1324 O ARG A 87 -3.241 -0.441 11.259 1.00 0.00 O ATOM 1325 CB ARG A 87 -2.369 -3.552 12.042 1.00 0.00 C ATOM 1326 CG ARG A 87 -2.912 -4.934 12.446 1.00 0.00 C ATOM 1327 CD ARG A 87 -2.216 -6.105 11.757 1.00 0.00 C ATOM 1328 NE ARG A 87 -0.935 -6.431 12.391 1.00 0.00 N ATOM 1329 CZ ARG A 87 0.201 -6.756 11.769 1.00 0.00 C ATOM 1330 NH1 ARG A 87 0.322 -6.687 10.452 1.00 0.00 N ATOM 1331 NH2 ARG A 87 1.249 -7.146 12.476 1.00 0.00 N ATOM 0 H ARG A 87 -4.600 -2.547 10.864 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.434 -2.520 13.609 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.256 -3.497 10.959 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.380 -3.399 12.474 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.812 -5.050 13.525 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.977 -4.974 12.219 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.866 -6.979 11.782 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.050 -5.862 10.708 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.909 -6.407 13.410 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.466 -6.379 9.883 1.00 0.00 H new ATOM 0 HH12 ARG A 87 1.203 -6.942 10.007 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.188 -7.198 13.493 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.118 -7.395 12.004 1.00 0.00 H new ATOM 1345 N VAL A 88 -1.845 -0.592 13.019 1.00 0.00 N ATOM 1346 CA VAL A 88 -1.473 0.825 13.009 1.00 0.00 C ATOM 1347 C VAL A 88 -0.854 1.238 11.677 1.00 0.00 C ATOM 1348 O VAL A 88 0.085 0.604 11.199 1.00 0.00 O ATOM 1349 CB VAL A 88 -0.591 1.200 14.212 1.00 0.00 C ATOM 1350 CG1 VAL A 88 0.828 0.631 14.137 1.00 0.00 C ATOM 1351 CG2 VAL A 88 -0.568 2.722 14.401 1.00 0.00 C ATOM 0 H VAL A 88 -1.322 -1.161 13.685 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.393 1.399 13.116 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.046 0.735 15.086 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.390 0.937 15.019 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.782 -0.457 14.096 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.324 1.007 13.242 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.060 2.973 15.256 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.166 3.194 13.504 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.582 3.082 14.577 1.00 0.00 H new ATOM 1361 N VAL A 89 -1.366 2.311 11.090 1.00 0.00 N ATOM 1362 CA VAL A 89 -0.931 2.883 9.834 1.00 0.00 C ATOM 1363 C VAL A 89 -0.077 4.084 10.192 1.00 0.00 C ATOM 1364 O VAL A 89 -0.556 5.207 10.324 1.00 0.00 O ATOM 1365 CB VAL A 89 -2.155 3.219 8.966 1.00 0.00 C ATOM 1366 CG1 VAL A 89 -1.766 3.857 7.630 1.00 0.00 C ATOM 1367 CG2 VAL A 89 -2.923 1.932 8.661 1.00 0.00 C ATOM 0 H VAL A 89 -2.139 2.831 11.505 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.336 2.197 9.232 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.761 3.930 9.527 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.666 4.075 7.055 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.220 4.782 7.814 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.134 3.169 7.068 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.792 2.164 8.046 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.274 1.239 8.126 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.251 1.474 9.594 1.00 0.00 H new ATOM 1377 N VAL A 90 1.209 3.835 10.392 1.00 0.00 N ATOM 1378 CA VAL A 90 2.196 4.909 10.344 1.00 0.00 C ATOM 1379 C VAL A 90 2.337 5.360 8.888 1.00 0.00 C ATOM 1380 O VAL A 90 2.234 4.538 7.970 1.00 0.00 O ATOM 1381 CB VAL A 90 3.543 4.452 10.946 1.00 0.00 C ATOM 1382 CG1 VAL A 90 3.531 4.701 12.457 1.00 0.00 C ATOM 1383 CG2 VAL A 90 3.872 2.968 10.691 1.00 0.00 C ATOM 0 H VAL A 90 1.593 2.910 10.587 1.00 0.00 H new ATOM 0 HA VAL A 90 1.866 5.753 10.949 1.00 0.00 H new ATOM 0 HB VAL A 90 4.315 5.036 10.446 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.480 4.380 12.886 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.387 5.764 12.649 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.717 4.136 12.912 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.833 2.725 11.145 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.095 2.342 11.130 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.921 2.785 9.618 1.00 0.00 H new ATOM 1393 N THR A 91 2.589 6.653 8.681 1.00 0.00 N ATOM 1394 CA THR A 91 2.933 7.206 7.379 1.00 0.00 C ATOM 1395 C THR A 91 4.448 7.453 7.311 1.00 0.00 C ATOM 1396 O THR A 91 5.129 7.529 8.343 1.00 0.00 O ATOM 1397 CB THR A 91 2.111 8.498 7.136 1.00 0.00 C ATOM 1398 OG1 THR A 91 2.270 9.411 8.203 1.00 0.00 O ATOM 1399 CG2 THR A 91 0.599 8.229 7.104 1.00 0.00 C ATOM 0 H THR A 91 2.559 7.351 9.424 1.00 0.00 H new ATOM 0 HA THR A 91 2.682 6.503 6.585 1.00 0.00 H new ATOM 0 HB THR A 91 2.476 8.885 6.185 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.854 9.045 9.011 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.067 9.164 6.931 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.371 7.528 6.301 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.285 7.804 8.057 1.00 0.00 H new ATOM 1407 N LYS A 92 4.973 7.650 6.100 1.00 0.00 N ATOM 1408 CA LYS A 92 6.199 8.394 5.823 1.00 0.00 C ATOM 1409 C LYS A 92 6.027 9.076 4.483 1.00 0.00 C ATOM 1410 O LYS A 92 5.368 8.513 3.610 1.00 0.00 O ATOM 1411 CB LYS A 92 7.424 7.491 5.663 1.00 0.00 C ATOM 1412 CG LYS A 92 8.026 7.003 6.976 1.00 0.00 C ATOM 1413 CD LYS A 92 9.552 6.943 6.826 1.00 0.00 C ATOM 1414 CE LYS A 92 10.187 5.954 7.796 1.00 0.00 C ATOM 1415 NZ LYS A 92 11.653 6.092 7.832 1.00 0.00 N ATOM 0 H LYS A 92 4.538 7.281 5.255 1.00 0.00 H new ATOM 0 HA LYS A 92 6.359 9.073 6.661 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.145 6.625 5.062 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.189 8.033 5.107 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.753 7.675 7.790 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.632 6.019 7.229 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.804 6.660 5.804 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.971 7.935 6.995 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.782 6.113 8.795 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.924 4.937 7.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.050 5.403 8.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.042 5.916 6.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.904 7.055 8.135 1.00 0.00 H new ATOM 1429 N TYR A 93 6.683 10.220 4.308 1.00 0.00 N ATOM 1430 CA TYR A 93 6.902 10.792 2.986 1.00 0.00 C ATOM 1431 C TYR A 93 7.851 9.897 2.196 1.00 0.00 C ATOM 1432 O TYR A 93 8.664 9.171 2.778 1.00 0.00 O ATOM 1433 CB TYR A 93 7.480 12.203 3.113 1.00 0.00 C ATOM 1434 CG TYR A 93 6.534 13.177 3.783 1.00 0.00 C ATOM 1435 CD1 TYR A 93 5.332 13.516 3.136 1.00 0.00 C ATOM 1436 CD2 TYR A 93 6.839 13.728 5.044 1.00 0.00 C ATOM 1437 CE1 TYR A 93 4.460 14.448 3.723 1.00 0.00 C ATOM 1438 CE2 TYR A 93 5.948 14.630 5.655 1.00 0.00 C ATOM 1439 CZ TYR A 93 4.756 15.004 4.991 1.00 0.00 C ATOM 1440 OH TYR A 93 3.876 15.861 5.579 1.00 0.00 O ATOM 0 H TYR A 93 7.074 10.771 5.072 1.00 0.00 H new ATOM 0 HA TYR A 93 5.951 10.856 2.457 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.408 12.158 3.682 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.732 12.576 2.120 1.00 0.00 H new ATOM 0 HD1 TYR A 93 5.080 13.061 2.190 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.758 13.457 5.542 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.559 14.742 3.204 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.174 15.036 6.630 1.00 0.00 H new ATOM 0 HH TYR A 93 4.230 16.150 6.446 1.00 0.00 H new ATOM 1450 N CYS A 94 7.763 9.998 0.875 1.00 0.00 N ATOM 1451 CA CYS A 94 8.655 9.351 -0.068 1.00 0.00 C ATOM 1452 C CYS A 94 9.189 10.407 -1.025 1.00 0.00 C ATOM 1453 O CYS A 94 8.932 11.604 -0.862 1.00 0.00 O ATOM 1454 CB CYS A 94 7.883 8.274 -0.838 1.00 0.00 C ATOM 1455 SG CYS A 94 7.295 7.008 0.298 1.00 0.00 S ATOM 0 H CYS A 94 7.040 10.554 0.419 1.00 0.00 H new ATOM 0 HA CYS A 94 9.487 8.877 0.453 1.00 0.00 H new ATOM 0 HB2 CYS A 94 7.040 8.724 -1.362 1.00 0.00 H new ATOM 0 HB3 CYS A 94 8.526 7.825 -1.595 1.00 0.00 H new ATOM 0 HG CYS A 94 6.640 6.101 -0.364 1.00 0.00 H new ATOM 1461 N ASP A 95 9.896 9.936 -2.043 1.00 0.00 N ATOM 1462 CA ASP A 95 10.130 10.650 -3.286 1.00 0.00 C ATOM 1463 C ASP A 95 9.304 9.938 -4.363 1.00 0.00 C ATOM 1464 O ASP A 95 9.194 8.707 -4.317 1.00 0.00 O ATOM 1465 CB ASP A 95 11.609 10.618 -3.676 1.00 0.00 C ATOM 1466 CG ASP A 95 12.474 11.561 -2.846 1.00 0.00 C ATOM 1467 OD1 ASP A 95 12.887 11.187 -1.722 1.00 0.00 O ATOM 1468 OD2 ASP A 95 12.817 12.648 -3.365 1.00 0.00 O ATOM 0 H ASP A 95 10.336 9.016 -2.023 1.00 0.00 H new ATOM 0 HA ASP A 95 9.844 11.696 -3.177 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.984 9.601 -3.566 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.705 10.881 -4.729 1.00 0.00 H new ATOM 1473 N PRO A 96 8.755 10.669 -5.346 1.00 0.00 N ATOM 1474 CA PRO A 96 7.903 10.109 -6.385 1.00 0.00 C ATOM 1475 C PRO A 96 8.687 9.283 -7.413 1.00 0.00 C ATOM 1476 O PRO A 96 8.116 8.405 -8.051 1.00 0.00 O ATOM 1477 CB PRO A 96 7.235 11.321 -7.041 1.00 0.00 C ATOM 1478 CG PRO A 96 8.245 12.444 -6.838 1.00 0.00 C ATOM 1479 CD PRO A 96 8.807 12.114 -5.464 1.00 0.00 C ATOM 0 HA PRO A 96 7.180 9.411 -5.964 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.038 11.146 -8.099 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.278 11.553 -6.573 1.00 0.00 H new ATOM 0 HG2 PRO A 96 9.018 12.442 -7.607 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.774 13.427 -6.862 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.830 12.477 -5.364 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.221 12.591 -4.678 1.00 0.00 H new ATOM 1487 N ASP A 97 9.993 9.538 -7.525 1.00 0.00 N ATOM 1488 CA ASP A 97 10.916 8.985 -8.524 1.00 0.00 C ATOM 1489 C ASP A 97 10.720 7.488 -8.713 1.00 0.00 C ATOM 1490 O ASP A 97 10.772 6.973 -9.827 1.00 0.00 O ATOM 1491 CB ASP A 97 12.367 9.231 -8.064 1.00 0.00 C ATOM 1492 CG ASP A 97 13.359 9.561 -9.181 1.00 0.00 C ATOM 1493 OD1 ASP A 97 13.006 10.332 -10.099 1.00 0.00 O ATOM 1494 OD2 ASP A 97 14.540 9.160 -9.057 1.00 0.00 O ATOM 0 H ASP A 97 10.465 10.175 -6.882 1.00 0.00 H new ATOM 0 HA ASP A 97 10.712 9.482 -9.473 1.00 0.00 H new ATOM 0 HB2 ASP A 97 12.369 10.050 -7.345 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.719 8.344 -7.538 1.00 0.00 H new ATOM 1499 N SER A 98 10.536 6.784 -7.595 1.00 0.00 N ATOM 1500 CA SER A 98 10.492 5.345 -7.519 1.00 0.00 C ATOM 1501 C SER A 98 9.059 4.795 -7.670 1.00 0.00 C ATOM 1502 O SER A 98 8.892 3.677 -8.149 1.00 0.00 O ATOM 1503 CB SER A 98 11.126 4.937 -6.186 1.00 0.00 C ATOM 1504 OG SER A 98 10.761 5.818 -5.142 1.00 0.00 O ATOM 0 H SER A 98 10.410 7.231 -6.687 1.00 0.00 H new ATOM 0 HA SER A 98 11.051 4.912 -8.349 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.817 3.923 -5.931 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.211 4.923 -6.288 1.00 0.00 H new ATOM 0 HG SER A 98 11.182 5.527 -4.306 1.00 0.00 H new ATOM 1510 N TYR A 99 8.030 5.571 -7.294 1.00 0.00 N ATOM 1511 CA TYR A 99 6.595 5.275 -7.456 1.00 0.00 C ATOM 1512 C TYR A 99 6.179 5.407 -8.924 1.00 0.00 C ATOM 1513 O TYR A 99 5.264 4.705 -9.365 1.00 0.00 O ATOM 1514 CB TYR A 99 5.799 6.279 -6.605 1.00 0.00 C ATOM 1515 CG TYR A 99 4.300 6.055 -6.615 1.00 0.00 C ATOM 1516 CD1 TYR A 99 3.749 5.070 -5.774 1.00 0.00 C ATOM 1517 CD2 TYR A 99 3.459 6.775 -7.491 1.00 0.00 C ATOM 1518 CE1 TYR A 99 2.373 4.788 -5.816 1.00 0.00 C ATOM 1519 CE2 TYR A 99 2.112 6.414 -7.616 1.00 0.00 C ATOM 1520 CZ TYR A 99 1.548 5.449 -6.750 1.00 0.00 C ATOM 1521 OH TYR A 99 0.215 5.171 -6.771 1.00 0.00 O ATOM 0 H TYR A 99 8.184 6.473 -6.843 1.00 0.00 H new ATOM 0 HA TYR A 99 6.395 4.253 -7.135 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.155 6.228 -5.576 1.00 0.00 H new ATOM 0 HB3 TYR A 99 6.006 7.287 -6.965 1.00 0.00 H new ATOM 0 HD1 TYR A 99 4.388 4.528 -5.092 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.853 7.602 -8.063 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.948 4.066 -5.134 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.501 6.875 -8.378 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.225 5.620 -6.019 1.00 0.00 H new ATOM 1531 N HIS A 100 6.878 6.243 -9.700 1.00 0.00 N ATOM 1532 CA HIS A 100 6.757 6.240 -11.153 1.00 0.00 C ATOM 1533 C HIS A 100 7.265 4.923 -11.768 1.00 0.00 C ATOM 1534 O HIS A 100 7.069 4.672 -12.957 1.00 0.00 O ATOM 1535 CB HIS A 100 7.592 7.377 -11.753 1.00 0.00 C ATOM 1536 CG HIS A 100 7.361 8.775 -11.230 1.00 0.00 C ATOM 1537 ND1 HIS A 100 8.346 9.734 -11.096 1.00 0.00 N ATOM 1538 CD2 HIS A 100 6.163 9.341 -10.863 1.00 0.00 C ATOM 1539 CE1 HIS A 100 7.763 10.846 -10.636 1.00 0.00 C ATOM 1540 NE2 HIS A 100 6.434 10.679 -10.536 1.00 0.00 N ATOM 0 H HIS A 100 7.536 6.933 -9.338 1.00 0.00 H new ATOM 0 HA HIS A 100 5.698 6.363 -11.380 1.00 0.00 H new ATOM 0 HB2 HIS A 100 8.644 7.134 -11.604 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.417 7.389 -12.829 1.00 0.00 H new ATOM 0 HD2 HIS A 100 5.201 8.852 -10.832 1.00 0.00 H new ATOM 0 HE1 HIS A 100 8.289 11.754 -10.380 1.00 0.00 H new ATOM 0 HE2 HIS A 100 5.751 11.390 -10.272 1.00 0.00 H new ATOM 1548 N ARG A 101 7.960 4.090 -10.995 1.00 0.00 N ATOM 1549 CA ARG A 101 8.633 2.873 -11.414 1.00 0.00 C ATOM 1550 C ARG A 101 8.218 1.756 -10.459 1.00 0.00 C ATOM 1551 O ARG A 101 7.198 1.863 -9.781 1.00 0.00 O ATOM 1552 CB ARG A 101 10.154 3.112 -11.464 1.00 0.00 C ATOM 1553 CG ARG A 101 10.566 4.128 -12.543 1.00 0.00 C ATOM 1554 CD ARG A 101 12.076 4.003 -12.745 1.00 0.00 C ATOM 1555 NE ARG A 101 12.586 4.846 -13.830 1.00 0.00 N ATOM 1556 CZ ARG A 101 13.784 4.712 -14.407 1.00 0.00 C ATOM 1557 NH1 ARG A 101 14.558 3.663 -14.143 1.00 0.00 N ATOM 1558 NH2 ARG A 101 14.218 5.624 -15.265 1.00 0.00 N ATOM 0 H ARG A 101 8.072 4.263 -9.996 1.00 0.00 H new ATOM 0 HA ARG A 101 8.345 2.574 -12.422 1.00 0.00 H new ATOM 0 HB2 ARG A 101 10.493 3.466 -10.490 1.00 0.00 H new ATOM 0 HB3 ARG A 101 10.659 2.165 -11.652 1.00 0.00 H new ATOM 0 HG2 ARG A 101 10.038 3.931 -13.476 1.00 0.00 H new ATOM 0 HG3 ARG A 101 10.304 5.140 -12.236 1.00 0.00 H new ATOM 0 HD2 ARG A 101 12.583 4.269 -11.818 1.00 0.00 H new ATOM 0 HD3 ARG A 101 12.323 2.962 -12.956 1.00 0.00 H new ATOM 0 HE ARG A 101 11.980 5.592 -14.171 1.00 0.00 H new ATOM 0 HH11 ARG A 101 14.240 2.946 -13.492 1.00 0.00 H new ATOM 0 HH12 ARG A 101 15.470 3.576 -14.592 1.00 0.00 H new ATOM 0 HH21 ARG A 101 13.637 6.432 -15.487 1.00 0.00 H new ATOM 0 HH22 ARG A 101 15.133 5.518 -15.703 1.00 0.00 H new ATOM 1572 N ARG A 102 8.958 0.649 -10.463 1.00 0.00 N ATOM 1573 CA ARG A 102 8.744 -0.488 -9.577 1.00 0.00 C ATOM 1574 C ARG A 102 9.833 -0.562 -8.491 1.00 0.00 C ATOM 1575 O ARG A 102 10.146 -1.640 -7.985 1.00 0.00 O ATOM 1576 CB ARG A 102 8.569 -1.745 -10.447 1.00 0.00 C ATOM 1577 CG ARG A 102 8.096 -2.968 -9.658 1.00 0.00 C ATOM 1578 CD ARG A 102 6.796 -3.520 -10.224 1.00 0.00 C ATOM 1579 NE ARG A 102 6.312 -4.620 -9.377 1.00 0.00 N ATOM 1580 CZ ARG A 102 5.059 -5.016 -9.154 1.00 0.00 C ATOM 1581 NH1 ARG A 102 4.040 -4.344 -9.684 1.00 0.00 N ATOM 1582 NH2 ARG A 102 4.853 -6.088 -8.399 1.00 0.00 N ATOM 0 H ARG A 102 9.743 0.517 -11.100 1.00 0.00 H new ATOM 0 HA ARG A 102 7.827 -0.383 -8.997 1.00 0.00 H new ATOM 0 HB2 ARG A 102 7.851 -1.533 -11.239 1.00 0.00 H new ATOM 0 HB3 ARG A 102 9.518 -1.978 -10.931 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.864 -3.741 -9.685 1.00 0.00 H new ATOM 0 HG3 ARG A 102 7.954 -2.696 -8.612 1.00 0.00 H new ATOM 0 HD2 ARG A 102 6.046 -2.730 -10.274 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.954 -3.875 -11.242 1.00 0.00 H new ATOM 0 HE ARG A 102 7.035 -5.153 -8.894 1.00 0.00 H new ATOM 0 HH11 ARG A 102 4.217 -3.523 -10.263 1.00 0.00 H new ATOM 0 HH12 ARG A 102 3.082 -4.650 -9.511 1.00 0.00 H new ATOM 0 HH21 ARG A 102 5.646 -6.592 -8.002 1.00 0.00 H new ATOM 0 HH22 ARG A 102 3.902 -6.408 -8.216 1.00 0.00 H new ATOM 1596 N ASP A 103 10.486 0.556 -8.171 1.00 0.00 N ATOM 1597 CA ASP A 103 11.562 0.593 -7.184 1.00 0.00 C ATOM 1598 C ASP A 103 10.980 0.613 -5.771 1.00 0.00 C ATOM 1599 O ASP A 103 10.561 1.660 -5.273 1.00 0.00 O ATOM 1600 CB ASP A 103 12.476 1.797 -7.404 1.00 0.00 C ATOM 1601 CG ASP A 103 13.562 1.806 -6.328 1.00 0.00 C ATOM 1602 OD1 ASP A 103 14.297 0.793 -6.258 1.00 0.00 O ATOM 1603 OD2 ASP A 103 13.694 2.807 -5.590 1.00 0.00 O ATOM 0 H ASP A 103 10.282 1.463 -8.591 1.00 0.00 H new ATOM 0 HA ASP A 103 12.164 -0.307 -7.306 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.929 1.749 -8.394 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.898 2.720 -7.362 1.00 0.00 H new ATOM 1608 N PHE A 104 10.917 -0.551 -5.125 1.00 0.00 N ATOM 1609 CA PHE A 104 10.398 -0.722 -3.771 1.00 0.00 C ATOM 1610 C PHE A 104 11.290 -1.726 -3.034 1.00 0.00 C ATOM 1611 O PHE A 104 12.029 -2.479 -3.675 1.00 0.00 O ATOM 1612 CB PHE A 104 8.949 -1.244 -3.802 1.00 0.00 C ATOM 1613 CG PHE A 104 8.037 -0.708 -4.892 1.00 0.00 C ATOM 1614 CD1 PHE A 104 7.782 0.668 -5.027 1.00 0.00 C ATOM 1615 CD2 PHE A 104 7.480 -1.602 -5.822 1.00 0.00 C ATOM 1616 CE1 PHE A 104 7.039 1.153 -6.120 1.00 0.00 C ATOM 1617 CE2 PHE A 104 6.702 -1.117 -6.882 1.00 0.00 C ATOM 1618 CZ PHE A 104 6.456 0.254 -7.031 1.00 0.00 C ATOM 0 H PHE A 104 11.235 -1.425 -5.543 1.00 0.00 H new ATOM 0 HA PHE A 104 10.401 0.240 -3.259 1.00 0.00 H new ATOM 0 HB2 PHE A 104 8.984 -2.329 -3.895 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.490 -1.021 -2.839 1.00 0.00 H new ATOM 0 HD1 PHE A 104 8.159 1.358 -4.287 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.652 -2.663 -5.720 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.917 2.217 -6.259 1.00 0.00 H new ATOM 0 HE2 PHE A 104 6.285 -1.812 -7.596 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.829 0.615 -7.833 1.00 0.00 H new