USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 711 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 1 MET N :NH3+ 177:sc= 0 (180deg=-0.00938) USER MOD Set 1.2: A 2 SER OG : rot 180:sc= -0.322 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc=7.93e-05 USER MOD Single : A 6 TYR OH : rot -51:sc= -6.7! USER MOD Single : A 10 GLN :FLIP amide:sc= -3.1! C(o=-8!,f=-3.1!) USER MOD Single : A 12 ASN : amide:sc= -4.94! C(o=-4.9!,f=-4.6!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.492 K(o=-0.49,f=-4.9!) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.0147 F(o=-1.1,f=-0.015) USER MOD Single : A 28 HIS : no HD1:sc= -0.266 X(o=-0.27,f=-0.16) USER MOD Single : A 32 GLN : amide:sc= -0.259 K(o=-0.26,f=-2.4!) USER MOD Single : A 33 HIS : no HD1:sc= -2.39 X(o=-2.4,f=-2.4!) USER MOD Single : A 34 HIS : no HE2:sc= -3.38 K(o=-3.4,f=-5.4!) USER MOD Single : A 37 MET CE :methyl -142:sc= -0.685 (180deg=-2.05!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -100:sc= -4.42! USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.078) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -153:sc= -3.65! USER MOD Single : A 76 ASN : amide:sc= -0.474 K(o=-0.47,f=-2.8!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -2.1! C(o=-2.1!,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.982 20.790 -0.320 1.00 0.00 N ATOM 2 CA MET A 1 2.422 20.435 -0.180 1.00 0.00 C ATOM 3 C MET A 1 2.661 19.827 1.202 1.00 0.00 C ATOM 4 O MET A 1 3.586 20.190 1.901 1.00 0.00 O ATOM 5 CB MET A 1 3.275 21.696 -0.335 1.00 0.00 C ATOM 6 CG MET A 1 4.565 21.349 -1.080 1.00 0.00 C ATOM 7 SD MET A 1 4.322 21.602 -2.856 1.00 0.00 S ATOM 8 CE MET A 1 5.452 20.309 -3.425 1.00 0.00 C ATOM 0 H1 MET A 1 0.826 21.250 -1.239 1.00 0.00 H new ATOM 0 H2 MET A 1 0.404 19.927 -0.262 1.00 0.00 H new ATOM 0 H3 MET A 1 0.709 21.441 0.444 1.00 0.00 H new ATOM 0 HA MET A 1 2.697 19.713 -0.950 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.720 22.459 -0.882 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.509 22.113 0.645 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.384 21.973 -0.722 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.844 20.314 -0.884 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.460 20.286 -4.515 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.457 20.518 -3.059 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.121 19.343 -3.044 1.00 0.00 H new ATOM 20 N SER A 2 1.832 18.903 1.601 1.00 0.00 N ATOM 21 CA SER A 2 2.007 18.271 2.937 1.00 0.00 C ATOM 22 C SER A 2 1.221 16.960 2.982 1.00 0.00 C ATOM 23 O SER A 2 1.757 15.914 3.284 1.00 0.00 O ATOM 24 CB SER A 2 1.484 19.217 4.018 1.00 0.00 C ATOM 25 OG SER A 2 1.084 20.441 3.414 1.00 0.00 O ATOM 0 H SER A 2 1.040 18.558 1.058 1.00 0.00 H new ATOM 0 HA SER A 2 3.064 18.069 3.112 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.642 18.762 4.539 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.258 19.401 4.763 1.00 0.00 H new ATOM 0 HG SER A 2 0.746 21.051 4.103 1.00 0.00 H new ATOM 31 N SER A 3 -0.048 17.009 2.680 1.00 0.00 N ATOM 32 CA SER A 3 -0.871 15.767 2.703 1.00 0.00 C ATOM 33 C SER A 3 -0.102 14.631 2.028 1.00 0.00 C ATOM 34 O SER A 3 0.096 14.635 0.829 1.00 0.00 O ATOM 35 CB SER A 3 -2.182 16.010 1.955 1.00 0.00 C ATOM 36 OG SER A 3 -2.830 17.151 2.502 1.00 0.00 O ATOM 0 H SER A 3 -0.551 17.857 2.418 1.00 0.00 H new ATOM 0 HA SER A 3 -1.087 15.495 3.736 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.986 16.163 0.894 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.828 15.136 2.037 1.00 0.00 H new ATOM 0 HG SER A 3 -3.670 17.311 2.024 1.00 0.00 H new ATOM 42 N LEU A 4 0.337 13.659 2.784 1.00 0.00 N ATOM 43 CA LEU A 4 1.092 12.535 2.173 1.00 0.00 C ATOM 44 C LEU A 4 0.514 11.200 2.627 1.00 0.00 C ATOM 45 O LEU A 4 -0.110 11.096 3.658 1.00 0.00 O ATOM 46 CB LEU A 4 2.562 12.617 2.582 1.00 0.00 C ATOM 47 CG LEU A 4 2.676 13.159 4.008 1.00 0.00 C ATOM 48 CD1 LEU A 4 2.260 12.074 5.002 1.00 0.00 C ATOM 49 CD2 LEU A 4 4.126 13.567 4.282 1.00 0.00 C ATOM 0 H LEU A 4 0.204 13.598 3.793 1.00 0.00 H new ATOM 0 HA LEU A 4 1.009 12.608 1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.021 11.630 2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.105 13.264 1.893 1.00 0.00 H new ATOM 0 HG LEU A 4 2.024 14.025 4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.341 12.461 6.018 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.229 11.779 4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.913 11.208 4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.209 13.954 5.298 1.00 0.00 H new ATOM 0 HD22 LEU A 4 4.776 12.699 4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.427 14.339 3.574 1.00 0.00 H new ATOM 61 N VAL A 5 0.715 10.178 1.846 1.00 0.00 N ATOM 62 CA VAL A 5 0.178 8.839 2.197 1.00 0.00 C ATOM 63 C VAL A 5 1.340 7.866 2.409 1.00 0.00 C ATOM 64 O VAL A 5 2.419 8.252 2.813 1.00 0.00 O ATOM 65 CB VAL A 5 -0.720 8.370 1.048 1.00 0.00 C ATOM 66 CG1 VAL A 5 -1.443 9.572 0.453 1.00 0.00 C ATOM 67 CG2 VAL A 5 0.110 7.695 -0.053 1.00 0.00 C ATOM 0 H VAL A 5 1.235 10.215 0.969 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.403 8.883 3.118 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.437 7.649 1.441 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.083 9.243 -0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.052 10.047 1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.711 10.287 0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.549 7.370 -0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.840 8.404 -0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.630 6.831 0.361 1.00 0.00 H new ATOM 77 N TYR A 6 1.133 6.607 2.138 1.00 0.00 N ATOM 78 CA TYR A 6 2.228 5.624 2.323 1.00 0.00 C ATOM 79 C TYR A 6 1.687 4.205 2.113 1.00 0.00 C ATOM 80 O TYR A 6 0.600 3.868 2.532 1.00 0.00 O ATOM 81 CB TYR A 6 2.829 5.810 3.734 1.00 0.00 C ATOM 82 CG TYR A 6 2.715 4.545 4.558 1.00 0.00 C ATOM 83 CD1 TYR A 6 1.479 4.169 5.093 1.00 0.00 C ATOM 84 CD2 TYR A 6 3.845 3.754 4.781 1.00 0.00 C ATOM 85 CE1 TYR A 6 1.373 3.002 5.854 1.00 0.00 C ATOM 86 CE2 TYR A 6 3.741 2.585 5.541 1.00 0.00 C ATOM 87 CZ TYR A 6 2.505 2.208 6.078 1.00 0.00 C ATOM 88 OH TYR A 6 2.404 1.057 6.832 1.00 0.00 O ATOM 0 H TYR A 6 0.253 6.220 1.797 1.00 0.00 H new ATOM 0 HA TYR A 6 3.018 5.784 1.590 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.877 6.097 3.649 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.316 6.625 4.244 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.606 4.781 4.918 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.799 4.046 4.366 1.00 0.00 H new ATOM 0 HE1 TYR A 6 0.419 2.712 6.269 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.614 1.973 5.714 1.00 0.00 H new ATOM 0 HH TYR A 6 1.960 1.260 7.681 1.00 0.00 H new ATOM 98 N ILE A 7 2.453 3.379 1.464 1.00 0.00 N ATOM 99 CA ILE A 7 2.016 1.981 1.218 1.00 0.00 C ATOM 100 C ILE A 7 3.207 1.063 1.491 1.00 0.00 C ATOM 101 O ILE A 7 4.327 1.385 1.147 1.00 0.00 O ATOM 102 CB ILE A 7 1.580 1.844 -0.242 1.00 0.00 C ATOM 103 CG1 ILE A 7 2.772 2.136 -1.154 1.00 0.00 C ATOM 104 CG2 ILE A 7 0.471 2.852 -0.547 1.00 0.00 C ATOM 105 CD1 ILE A 7 2.432 1.733 -2.588 1.00 0.00 C ATOM 0 H ILE A 7 3.372 3.615 1.090 1.00 0.00 H new ATOM 0 HA ILE A 7 1.180 1.715 1.865 1.00 0.00 H new ATOM 0 HB ILE A 7 1.214 0.831 -0.413 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.023 3.196 -1.113 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.649 1.588 -0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.164 2.751 -1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.383 2.662 0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.841 3.863 -0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.283 1.942 -3.236 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.203 0.668 -2.622 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.567 2.301 -2.930 1.00 0.00 H new ATOM 117 N ALA A 8 3.003 -0.066 2.114 1.00 0.00 N ATOM 118 CA ALA A 8 4.174 -0.944 2.388 1.00 0.00 C ATOM 119 C ALA A 8 3.856 -2.392 2.030 1.00 0.00 C ATOM 120 O ALA A 8 2.716 -2.768 1.843 1.00 0.00 O ATOM 121 CB ALA A 8 4.543 -0.853 3.866 1.00 0.00 C ATOM 0 H ALA A 8 2.100 -0.412 2.438 1.00 0.00 H new ATOM 0 HA ALA A 8 5.012 -0.610 1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.400 -1.496 4.067 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.796 0.178 4.115 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.697 -1.176 4.473 1.00 0.00 H new ATOM 127 N PHE A 9 4.871 -3.206 1.929 1.00 0.00 N ATOM 128 CA PHE A 9 4.658 -4.633 1.578 1.00 0.00 C ATOM 129 C PHE A 9 5.868 -5.448 2.032 1.00 0.00 C ATOM 130 O PHE A 9 6.974 -4.952 2.090 1.00 0.00 O ATOM 131 CB PHE A 9 4.515 -4.759 0.063 1.00 0.00 C ATOM 132 CG PHE A 9 3.081 -5.063 -0.286 1.00 0.00 C ATOM 133 CD1 PHE A 9 2.525 -6.300 0.058 1.00 0.00 C ATOM 134 CD2 PHE A 9 2.307 -4.106 -0.951 1.00 0.00 C ATOM 135 CE1 PHE A 9 1.193 -6.580 -0.263 1.00 0.00 C ATOM 136 CE2 PHE A 9 0.976 -4.385 -1.273 1.00 0.00 C ATOM 137 CZ PHE A 9 0.417 -5.623 -0.929 1.00 0.00 C ATOM 0 H PHE A 9 5.844 -2.939 2.076 1.00 0.00 H new ATOM 0 HA PHE A 9 3.757 -5.002 2.069 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.829 -3.834 -0.420 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.166 -5.550 -0.309 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.124 -7.038 0.571 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.738 -3.152 -1.216 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.763 -7.534 0.003 1.00 0.00 H new ATOM 0 HE2 PHE A 9 0.378 -3.647 -1.787 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.612 -5.839 -1.177 1.00 0.00 H new ATOM 147 N GLN A 10 5.676 -6.696 2.340 1.00 0.00 N ATOM 148 CA GLN A 10 6.828 -7.534 2.768 1.00 0.00 C ATOM 149 C GLN A 10 6.791 -8.846 1.985 1.00 0.00 C ATOM 150 O GLN A 10 6.133 -9.786 2.374 1.00 0.00 O ATOM 151 CB GLN A 10 6.740 -7.825 4.269 1.00 0.00 C ATOM 152 CG GLN A 10 8.148 -7.876 4.866 1.00 0.00 C ATOM 153 CD GLN A 10 8.912 -9.066 4.282 1.00 0.00 C ATOM 154 OE1 GLN A 10 9.255 -9.052 3.023 1.00 0.00 O flip ATOM 155 NE2 GLN A 10 9.200 -10.018 4.978 1.00 0.00 N flip ATOM 0 H GLN A 10 4.775 -7.173 2.315 1.00 0.00 H new ATOM 0 HA GLN A 10 7.761 -7.005 2.572 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.152 -7.053 4.765 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.229 -8.773 4.436 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.679 -6.949 4.650 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.091 -7.965 5.951 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.932 -10.030 5.962 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.710 -10.806 4.579 1.00 0.00 H new ATOM 164 N ASP A 11 7.479 -8.909 0.876 1.00 0.00 N ATOM 165 CA ASP A 11 7.468 -10.158 0.060 1.00 0.00 C ATOM 166 C ASP A 11 8.559 -11.115 0.561 1.00 0.00 C ATOM 167 O ASP A 11 8.679 -11.358 1.744 1.00 0.00 O ATOM 168 CB ASP A 11 7.711 -9.799 -1.408 1.00 0.00 C ATOM 169 CG ASP A 11 7.194 -10.926 -2.304 1.00 0.00 C ATOM 170 OD1 ASP A 11 6.222 -11.559 -1.925 1.00 0.00 O ATOM 171 OD2 ASP A 11 7.778 -11.138 -3.354 1.00 0.00 O ATOM 0 H ASP A 11 8.048 -8.150 0.500 1.00 0.00 H new ATOM 0 HA ASP A 11 6.501 -10.652 0.155 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.205 -8.865 -1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 11 8.775 -9.641 -1.583 1.00 0.00 H new ATOM 176 N ASN A 12 9.353 -11.668 -0.322 1.00 0.00 N ATOM 177 CA ASN A 12 10.419 -12.605 0.127 1.00 0.00 C ATOM 178 C ASN A 12 11.675 -11.807 0.498 1.00 0.00 C ATOM 179 O ASN A 12 11.686 -11.078 1.471 1.00 0.00 O ATOM 180 CB ASN A 12 10.729 -13.597 -0.999 1.00 0.00 C ATOM 181 CG ASN A 12 11.779 -14.602 -0.523 1.00 0.00 C ATOM 182 OD1 ASN A 12 12.649 -14.993 -1.277 1.00 0.00 O ATOM 183 ND2 ASN A 12 11.736 -15.041 0.705 1.00 0.00 N ATOM 0 H ASN A 12 9.307 -11.510 -1.329 1.00 0.00 H new ATOM 0 HA ASN A 12 10.082 -13.159 1.003 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.820 -14.119 -1.298 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.093 -13.064 -1.877 1.00 0.00 H new ATOM 0 HD21 ASN A 12 12.432 -15.712 1.032 1.00 0.00 H new ATOM 0 HD22 ASN A 12 11.007 -14.714 1.338 1.00 0.00 H new ATOM 190 N ASP A 13 12.732 -11.934 -0.257 1.00 0.00 N ATOM 191 CA ASP A 13 13.971 -11.177 0.074 1.00 0.00 C ATOM 192 C ASP A 13 14.516 -10.499 -1.186 1.00 0.00 C ATOM 193 O ASP A 13 15.220 -9.512 -1.113 1.00 0.00 O ATOM 194 CB ASP A 13 15.024 -12.138 0.634 1.00 0.00 C ATOM 195 CG ASP A 13 14.847 -13.522 0.006 1.00 0.00 C ATOM 196 OD1 ASP A 13 15.372 -13.733 -1.075 1.00 0.00 O ATOM 197 OD2 ASP A 13 14.189 -14.348 0.617 1.00 0.00 O ATOM 0 H ASP A 13 12.791 -12.527 -1.085 1.00 0.00 H new ATOM 0 HA ASP A 13 13.739 -10.417 0.820 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.024 -11.759 0.425 1.00 0.00 H new ATOM 0 HB3 ASP A 13 14.929 -12.205 1.718 1.00 0.00 H new ATOM 202 N ASN A 14 14.202 -11.018 -2.343 1.00 0.00 N ATOM 203 CA ASN A 14 14.710 -10.395 -3.599 1.00 0.00 C ATOM 204 C ASN A 14 13.594 -9.588 -4.266 1.00 0.00 C ATOM 205 O ASN A 14 13.750 -8.419 -4.558 1.00 0.00 O ATOM 206 CB ASN A 14 15.194 -11.490 -4.553 1.00 0.00 C ATOM 207 CG ASN A 14 16.540 -11.082 -5.155 1.00 0.00 C ATOM 208 OD1 ASN A 14 16.716 -9.953 -5.569 1.00 0.00 O ATOM 209 ND2 ASN A 14 17.504 -11.959 -5.220 1.00 0.00 N ATOM 0 H ASN A 14 13.618 -11.844 -2.472 1.00 0.00 H new ATOM 0 HA ASN A 14 15.539 -9.729 -3.361 1.00 0.00 H new ATOM 0 HB2 ASN A 14 15.294 -12.435 -4.019 1.00 0.00 H new ATOM 0 HB3 ASN A 14 14.462 -11.647 -5.345 1.00 0.00 H new ATOM 0 HD21 ASN A 14 18.406 -11.697 -5.618 1.00 0.00 H new ATOM 0 HD22 ASN A 14 17.356 -12.906 -4.872 1.00 0.00 H new ATOM 216 N ALA A 15 12.471 -10.204 -4.515 1.00 0.00 N ATOM 217 CA ALA A 15 11.348 -9.473 -5.170 1.00 0.00 C ATOM 218 C ALA A 15 11.185 -8.097 -4.532 1.00 0.00 C ATOM 219 O ALA A 15 10.783 -7.146 -5.173 1.00 0.00 O ATOM 220 CB ALA A 15 10.054 -10.273 -5.003 1.00 0.00 C ATOM 0 H ALA A 15 12.282 -11.182 -4.294 1.00 0.00 H new ATOM 0 HA ALA A 15 11.567 -9.351 -6.231 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.232 -9.740 -5.481 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.170 -11.253 -5.467 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.837 -10.397 -3.942 1.00 0.00 H new ATOM 226 N ARG A 16 11.492 -7.983 -3.275 1.00 0.00 N ATOM 227 CA ARG A 16 11.354 -6.670 -2.596 1.00 0.00 C ATOM 228 C ARG A 16 12.332 -5.669 -3.211 1.00 0.00 C ATOM 229 O ARG A 16 11.938 -4.676 -3.791 1.00 0.00 O ATOM 230 CB ARG A 16 11.669 -6.844 -1.115 1.00 0.00 C ATOM 231 CG ARG A 16 10.783 -7.946 -0.529 1.00 0.00 C ATOM 232 CD ARG A 16 11.243 -8.270 0.893 1.00 0.00 C ATOM 233 NE ARG A 16 12.726 -8.419 0.915 1.00 0.00 N ATOM 234 CZ ARG A 16 13.374 -8.390 2.049 1.00 0.00 C ATOM 235 NH1 ARG A 16 12.726 -8.235 3.172 1.00 0.00 N ATOM 236 NH2 ARG A 16 14.673 -8.517 2.059 1.00 0.00 N ATOM 0 H ARG A 16 11.833 -8.743 -2.687 1.00 0.00 H new ATOM 0 HA ARG A 16 10.337 -6.298 -2.717 1.00 0.00 H new ATOM 0 HB2 ARG A 16 12.720 -7.100 -0.984 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.501 -5.907 -0.584 1.00 0.00 H new ATOM 0 HG2 ARG A 16 9.742 -7.624 -0.521 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.836 -8.839 -1.152 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.937 -7.477 1.575 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.770 -9.189 1.239 1.00 0.00 H new ATOM 0 HE ARG A 16 13.237 -8.544 0.041 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.711 -8.136 3.166 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.235 -8.213 4.056 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.180 -8.639 1.182 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.181 -8.495 2.943 1.00 0.00 H new ATOM 250 N TYR A 17 13.607 -5.918 -3.088 1.00 0.00 N ATOM 251 CA TYR A 17 14.606 -4.976 -3.664 1.00 0.00 C ATOM 252 C TYR A 17 14.208 -4.626 -5.099 1.00 0.00 C ATOM 253 O TYR A 17 14.378 -3.509 -5.544 1.00 0.00 O ATOM 254 CB TYR A 17 15.991 -5.626 -3.657 1.00 0.00 C ATOM 255 CG TYR A 17 16.798 -5.068 -2.510 1.00 0.00 C ATOM 256 CD1 TYR A 17 16.166 -4.748 -1.302 1.00 0.00 C ATOM 257 CD2 TYR A 17 18.177 -4.868 -2.653 1.00 0.00 C ATOM 258 CE1 TYR A 17 16.913 -4.230 -0.237 1.00 0.00 C ATOM 259 CE2 TYR A 17 18.923 -4.350 -1.587 1.00 0.00 C ATOM 260 CZ TYR A 17 18.291 -4.031 -0.379 1.00 0.00 C ATOM 261 OH TYR A 17 19.026 -3.521 0.672 1.00 0.00 O ATOM 0 H TYR A 17 13.999 -6.732 -2.614 1.00 0.00 H new ATOM 0 HA TYR A 17 14.634 -4.066 -3.064 1.00 0.00 H new ATOM 0 HB2 TYR A 17 15.897 -6.707 -3.559 1.00 0.00 H new ATOM 0 HB3 TYR A 17 16.500 -5.435 -4.602 1.00 0.00 H new ATOM 0 HD1 TYR A 17 15.103 -4.901 -1.192 1.00 0.00 H new ATOM 0 HD2 TYR A 17 18.665 -5.113 -3.585 1.00 0.00 H new ATOM 0 HE1 TYR A 17 16.425 -3.984 0.695 1.00 0.00 H new ATOM 0 HE2 TYR A 17 19.986 -4.196 -1.697 1.00 0.00 H new ATOM 0 HH TYR A 17 19.967 -3.446 0.408 1.00 0.00 H new ATOM 271 N VAL A 18 13.673 -5.570 -5.826 1.00 0.00 N ATOM 272 CA VAL A 18 13.262 -5.281 -7.229 1.00 0.00 C ATOM 273 C VAL A 18 12.315 -4.079 -7.234 1.00 0.00 C ATOM 274 O VAL A 18 12.578 -3.067 -7.859 1.00 0.00 O ATOM 275 CB VAL A 18 12.546 -6.501 -7.812 1.00 0.00 C ATOM 276 CG1 VAL A 18 12.225 -6.248 -9.287 1.00 0.00 C ATOM 277 CG2 VAL A 18 13.451 -7.729 -7.692 1.00 0.00 C ATOM 0 H VAL A 18 13.504 -6.525 -5.510 1.00 0.00 H new ATOM 0 HA VAL A 18 14.141 -5.058 -7.833 1.00 0.00 H new ATOM 0 HB VAL A 18 11.621 -6.675 -7.263 1.00 0.00 H new ATOM 0 HG11 VAL A 18 11.715 -7.117 -9.703 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.581 -5.373 -9.374 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.150 -6.074 -9.836 1.00 0.00 H new ATOM 0 HG21 VAL A 18 12.941 -8.599 -8.107 1.00 0.00 H new ATOM 0 HG22 VAL A 18 14.376 -7.554 -8.241 1.00 0.00 H new ATOM 0 HG23 VAL A 18 13.681 -7.910 -6.642 1.00 0.00 H new ATOM 287 N VAL A 19 11.217 -4.176 -6.535 1.00 0.00 N ATOM 288 CA VAL A 19 10.265 -3.033 -6.498 1.00 0.00 C ATOM 289 C VAL A 19 11.003 -1.791 -5.998 1.00 0.00 C ATOM 290 O VAL A 19 10.604 -0.672 -6.255 1.00 0.00 O ATOM 291 CB VAL A 19 9.109 -3.358 -5.552 1.00 0.00 C ATOM 292 CG1 VAL A 19 8.190 -2.140 -5.433 1.00 0.00 C ATOM 293 CG2 VAL A 19 8.315 -4.543 -6.107 1.00 0.00 C ATOM 0 H VAL A 19 10.940 -4.993 -5.991 1.00 0.00 H new ATOM 0 HA VAL A 19 9.868 -2.850 -7.497 1.00 0.00 H new ATOM 0 HB VAL A 19 9.504 -3.613 -4.569 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.365 -2.371 -4.759 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.755 -1.295 -5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.794 -1.885 -6.416 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.490 -4.776 -5.433 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.919 -4.288 -7.090 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.969 -5.411 -6.193 1.00 0.00 H new ATOM 303 N GLU A 20 12.082 -1.983 -5.288 1.00 0.00 N ATOM 304 CA GLU A 20 12.856 -0.819 -4.772 1.00 0.00 C ATOM 305 C GLU A 20 13.530 -0.104 -5.943 1.00 0.00 C ATOM 306 O GLU A 20 13.607 1.107 -5.982 1.00 0.00 O ATOM 307 CB GLU A 20 13.921 -1.310 -3.789 1.00 0.00 C ATOM 308 CG GLU A 20 14.513 -0.117 -3.036 1.00 0.00 C ATOM 309 CD GLU A 20 15.005 -0.575 -1.663 1.00 0.00 C ATOM 310 OE1 GLU A 20 16.091 -1.128 -1.599 1.00 0.00 O ATOM 311 OE2 GLU A 20 14.288 -0.366 -0.698 1.00 0.00 O ATOM 0 H GLU A 20 12.461 -2.898 -5.043 1.00 0.00 H new ATOM 0 HA GLU A 20 12.184 -0.129 -4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.482 -2.016 -3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.708 -1.841 -4.325 1.00 0.00 H new ATOM 0 HG2 GLU A 20 15.337 0.313 -3.605 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.762 0.665 -2.923 1.00 0.00 H new ATOM 318 N ALA A 21 14.014 -0.844 -6.902 1.00 0.00 N ATOM 319 CA ALA A 21 14.672 -0.201 -8.071 1.00 0.00 C ATOM 320 C ALA A 21 13.614 0.533 -8.892 1.00 0.00 C ATOM 321 O ALA A 21 13.886 1.533 -9.526 1.00 0.00 O ATOM 322 CB ALA A 21 15.342 -1.270 -8.937 1.00 0.00 C ATOM 0 H ALA A 21 13.982 -1.863 -6.926 1.00 0.00 H new ATOM 0 HA ALA A 21 15.428 0.504 -7.726 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.823 -0.796 -9.793 1.00 0.00 H new ATOM 0 HB2 ALA A 21 16.090 -1.800 -8.347 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.591 -1.977 -9.289 1.00 0.00 H new ATOM 328 N ILE A 22 12.404 0.042 -8.883 1.00 0.00 N ATOM 329 CA ILE A 22 11.323 0.711 -9.662 1.00 0.00 C ATOM 330 C ILE A 22 10.960 2.048 -9.004 1.00 0.00 C ATOM 331 O ILE A 22 10.992 3.089 -9.634 1.00 0.00 O ATOM 332 CB ILE A 22 10.089 -0.196 -9.698 1.00 0.00 C ATOM 333 CG1 ILE A 22 10.378 -1.410 -10.585 1.00 0.00 C ATOM 334 CG2 ILE A 22 8.894 0.574 -10.266 1.00 0.00 C ATOM 335 CD1 ILE A 22 10.582 -0.953 -12.032 1.00 0.00 C ATOM 0 H ILE A 22 12.118 -0.792 -8.371 1.00 0.00 H new ATOM 0 HA ILE A 22 11.670 0.896 -10.678 1.00 0.00 H new ATOM 0 HB ILE A 22 9.856 -0.526 -8.686 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.267 -1.930 -10.229 1.00 0.00 H new ATOM 0 HG13 ILE A 22 9.551 -2.118 -10.530 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.020 -0.076 -10.289 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.686 1.439 -9.636 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.124 0.908 -11.278 1.00 0.00 H new ATOM 0 HD11 ILE A 22 10.788 -1.819 -12.661 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.681 -0.453 -12.386 1.00 0.00 H new ATOM 0 HD13 ILE A 22 11.423 -0.262 -12.080 1.00 0.00 H new ATOM 347 N ILE A 23 10.607 2.032 -7.746 1.00 0.00 N ATOM 348 CA ILE A 23 10.236 3.307 -7.067 1.00 0.00 C ATOM 349 C ILE A 23 11.410 4.284 -7.130 1.00 0.00 C ATOM 350 O ILE A 23 11.226 5.477 -7.266 1.00 0.00 O ATOM 351 CB ILE A 23 9.872 3.033 -5.606 1.00 0.00 C ATOM 352 CG1 ILE A 23 10.879 2.055 -4.998 1.00 0.00 C ATOM 353 CG2 ILE A 23 8.470 2.427 -5.534 1.00 0.00 C ATOM 354 CD1 ILE A 23 11.323 2.565 -3.625 1.00 0.00 C ATOM 0 H ILE A 23 10.560 1.197 -7.163 1.00 0.00 H new ATOM 0 HA ILE A 23 9.375 3.743 -7.573 1.00 0.00 H new ATOM 0 HB ILE A 23 9.895 3.969 -5.048 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.429 1.067 -4.902 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.742 1.950 -5.655 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.211 2.232 -4.493 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.750 3.124 -5.963 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.448 1.492 -6.095 1.00 0.00 H new ATOM 0 HD11 ILE A 23 12.040 1.868 -3.192 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.789 3.544 -3.734 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.456 2.647 -2.969 1.00 0.00 H new ATOM 366 N GLN A 24 12.615 3.794 -7.042 1.00 0.00 N ATOM 367 CA GLN A 24 13.786 4.707 -7.109 1.00 0.00 C ATOM 368 C GLN A 24 13.900 5.253 -8.530 1.00 0.00 C ATOM 369 O GLN A 24 14.251 6.398 -8.737 1.00 0.00 O ATOM 370 CB GLN A 24 15.060 3.941 -6.746 1.00 0.00 C ATOM 371 CG GLN A 24 15.724 4.599 -5.535 1.00 0.00 C ATOM 372 CD GLN A 24 16.255 3.516 -4.594 1.00 0.00 C ATOM 373 OE1 GLN A 24 16.027 2.342 -4.809 1.00 0.00 O ATOM 374 NE2 GLN A 24 16.959 3.863 -3.552 1.00 0.00 N ATOM 0 H GLN A 24 12.838 2.805 -6.927 1.00 0.00 H new ATOM 0 HA GLN A 24 13.656 5.529 -6.405 1.00 0.00 H new ATOM 0 HB2 GLN A 24 14.821 2.901 -6.523 1.00 0.00 H new ATOM 0 HB3 GLN A 24 15.747 3.935 -7.592 1.00 0.00 H new ATOM 0 HG2 GLN A 24 16.539 5.245 -5.860 1.00 0.00 H new ATOM 0 HG3 GLN A 24 15.006 5.231 -5.012 1.00 0.00 H new ATOM 0 HE21 GLN A 24 17.151 4.848 -3.371 1.00 0.00 H new ATOM 0 HE22 GLN A 24 17.318 3.149 -2.918 1.00 0.00 H new ATOM 383 N ASP A 25 13.588 4.450 -9.513 1.00 0.00 N ATOM 384 CA ASP A 25 13.662 4.941 -10.914 1.00 0.00 C ATOM 385 C ASP A 25 12.993 6.311 -10.968 1.00 0.00 C ATOM 386 O ASP A 25 13.489 7.236 -11.579 1.00 0.00 O ATOM 387 CB ASP A 25 12.926 3.973 -11.843 1.00 0.00 C ATOM 388 CG ASP A 25 13.776 3.714 -13.089 1.00 0.00 C ATOM 389 OD1 ASP A 25 14.616 2.830 -13.036 1.00 0.00 O ATOM 390 OD2 ASP A 25 13.574 4.404 -14.074 1.00 0.00 O ATOM 0 H ASP A 25 13.287 3.481 -9.404 1.00 0.00 H new ATOM 0 HA ASP A 25 14.701 5.011 -11.236 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.727 3.035 -11.324 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.960 4.390 -12.129 1.00 0.00 H new ATOM 395 N ASN A 26 11.873 6.450 -10.310 1.00 0.00 N ATOM 396 CA ASN A 26 11.177 7.763 -10.298 1.00 0.00 C ATOM 397 C ASN A 26 11.865 8.671 -9.276 1.00 0.00 C ATOM 398 O ASN A 26 12.191 8.239 -8.188 1.00 0.00 O ATOM 399 CB ASN A 26 9.713 7.564 -9.898 1.00 0.00 C ATOM 400 CG ASN A 26 9.148 6.337 -10.614 1.00 0.00 C ATOM 401 OD1 ASN A 26 9.227 5.168 -10.040 1.00 0.00 O flip ATOM 402 ND2 ASN A 26 8.627 6.443 -11.706 1.00 0.00 N flip ATOM 0 H ASN A 26 11.412 5.709 -9.781 1.00 0.00 H new ATOM 0 HA ASN A 26 11.219 8.215 -11.289 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.635 7.436 -8.818 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.131 8.449 -10.157 1.00 0.00 H new ATOM 0 HD21 ASN A 26 8.565 7.357 -12.155 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.251 5.618 -12.174 1.00 0.00 H new ATOM 409 N PRO A 27 12.068 9.903 -9.659 1.00 0.00 N ATOM 410 CA PRO A 27 12.732 10.836 -8.722 1.00 0.00 C ATOM 411 C PRO A 27 11.701 11.436 -7.763 1.00 0.00 C ATOM 412 O PRO A 27 11.677 12.629 -7.533 1.00 0.00 O ATOM 413 CB PRO A 27 13.351 11.933 -9.597 1.00 0.00 C ATOM 414 CG PRO A 27 13.012 11.605 -11.066 1.00 0.00 C ATOM 415 CD PRO A 27 12.199 10.304 -11.076 1.00 0.00 C ATOM 0 HA PRO A 27 13.487 10.335 -8.116 1.00 0.00 H new ATOM 0 HB2 PRO A 27 12.956 12.911 -9.322 1.00 0.00 H new ATOM 0 HB3 PRO A 27 14.431 11.974 -9.453 1.00 0.00 H new ATOM 0 HG2 PRO A 27 12.441 12.416 -11.517 1.00 0.00 H new ATOM 0 HG3 PRO A 27 13.923 11.491 -11.653 1.00 0.00 H new ATOM 0 HD2 PRO A 27 11.221 10.457 -11.532 1.00 0.00 H new ATOM 0 HD3 PRO A 27 12.703 9.532 -11.656 1.00 0.00 H new ATOM 423 N HIS A 28 10.845 10.623 -7.206 1.00 0.00 N ATOM 424 CA HIS A 28 9.819 11.154 -6.273 1.00 0.00 C ATOM 425 C HIS A 28 9.485 10.095 -5.219 1.00 0.00 C ATOM 426 O HIS A 28 9.295 10.399 -4.059 1.00 0.00 O ATOM 427 CB HIS A 28 8.561 11.492 -7.067 1.00 0.00 C ATOM 428 CG HIS A 28 7.822 12.613 -6.389 1.00 0.00 C ATOM 429 ND1 HIS A 28 6.619 13.104 -6.871 1.00 0.00 N ATOM 430 CD2 HIS A 28 8.107 13.352 -5.269 1.00 0.00 C ATOM 431 CE1 HIS A 28 6.228 14.095 -6.050 1.00 0.00 C ATOM 432 NE2 HIS A 28 7.100 14.288 -5.056 1.00 0.00 N ATOM 0 H HIS A 28 10.814 9.615 -7.359 1.00 0.00 H new ATOM 0 HA HIS A 28 10.199 12.047 -5.776 1.00 0.00 H new ATOM 0 HB2 HIS A 28 8.827 11.781 -8.084 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.920 10.614 -7.143 1.00 0.00 H new ATOM 0 HD2 HIS A 28 8.981 13.226 -4.647 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.320 14.665 -6.178 1.00 0.00 H new ATOM 0 HE2 HIS A 28 7.040 14.974 -4.303 1.00 0.00 H new ATOM 440 N ALA A 29 9.406 8.854 -5.617 1.00 0.00 N ATOM 441 CA ALA A 29 9.079 7.777 -4.639 1.00 0.00 C ATOM 442 C ALA A 29 9.896 7.974 -3.361 1.00 0.00 C ATOM 443 O ALA A 29 11.058 8.326 -3.402 1.00 0.00 O ATOM 444 CB ALA A 29 9.412 6.415 -5.250 1.00 0.00 C ATOM 0 H ALA A 29 9.554 8.540 -6.576 1.00 0.00 H new ATOM 0 HA ALA A 29 8.017 7.820 -4.399 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.173 5.627 -4.535 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.827 6.271 -6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.474 6.375 -5.493 1.00 0.00 H new ATOM 450 N VAL A 30 9.297 7.748 -2.224 1.00 0.00 N ATOM 451 CA VAL A 30 10.038 7.918 -0.942 1.00 0.00 C ATOM 452 C VAL A 30 10.470 6.549 -0.412 1.00 0.00 C ATOM 453 O VAL A 30 10.156 5.523 -0.984 1.00 0.00 O ATOM 454 CB VAL A 30 9.130 8.595 0.085 1.00 0.00 C ATOM 455 CG1 VAL A 30 9.984 9.213 1.194 1.00 0.00 C ATOM 456 CG2 VAL A 30 8.316 9.694 -0.599 1.00 0.00 C ATOM 0 H VAL A 30 8.325 7.453 -2.127 1.00 0.00 H new ATOM 0 HA VAL A 30 10.920 8.535 -1.114 1.00 0.00 H new ATOM 0 HB VAL A 30 8.455 7.855 0.514 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.336 9.696 1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.566 8.432 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.659 9.953 0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.669 10.177 0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.992 10.433 -1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.706 9.257 -1.390 1.00 0.00 H new ATOM 466 N VAL A 31 11.184 6.525 0.680 1.00 0.00 N ATOM 467 CA VAL A 31 11.632 5.224 1.252 1.00 0.00 C ATOM 468 C VAL A 31 11.548 5.289 2.779 1.00 0.00 C ATOM 469 O VAL A 31 11.613 6.349 3.368 1.00 0.00 O ATOM 470 CB VAL A 31 13.077 4.949 0.828 1.00 0.00 C ATOM 471 CG1 VAL A 31 13.342 3.443 0.865 1.00 0.00 C ATOM 472 CG2 VAL A 31 13.296 5.467 -0.595 1.00 0.00 C ATOM 0 H VAL A 31 11.477 7.351 1.201 1.00 0.00 H new ATOM 0 HA VAL A 31 10.991 4.422 0.885 1.00 0.00 H new ATOM 0 HB VAL A 31 13.759 5.456 1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 31 14.371 3.247 0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.184 3.070 1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.661 2.937 0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.324 5.272 -0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.614 4.959 -1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 31 13.106 6.540 -0.625 1.00 0.00 H new ATOM 482 N GLN A 32 11.401 4.165 3.425 1.00 0.00 N ATOM 483 CA GLN A 32 11.311 4.170 4.912 1.00 0.00 C ATOM 484 C GLN A 32 12.089 2.981 5.478 1.00 0.00 C ATOM 485 O GLN A 32 13.142 3.139 6.064 1.00 0.00 O ATOM 486 CB GLN A 32 9.845 4.067 5.334 1.00 0.00 C ATOM 487 CG GLN A 32 9.537 5.144 6.377 1.00 0.00 C ATOM 488 CD GLN A 32 9.869 4.615 7.773 1.00 0.00 C ATOM 489 OE1 GLN A 32 9.850 3.422 8.004 1.00 0.00 O ATOM 490 NE2 GLN A 32 10.175 5.457 8.722 1.00 0.00 N ATOM 0 H GLN A 32 11.339 3.245 2.988 1.00 0.00 H new ATOM 0 HA GLN A 32 11.737 5.097 5.297 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.196 4.190 4.467 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.643 3.078 5.746 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.118 6.042 6.170 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.485 5.426 6.324 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.191 6.459 8.529 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.398 5.114 9.656 1.00 0.00 H new ATOM 499 N HIS A 33 11.580 1.790 5.313 1.00 0.00 N ATOM 500 CA HIS A 33 12.295 0.596 5.846 1.00 0.00 C ATOM 501 C HIS A 33 13.153 -0.024 4.741 1.00 0.00 C ATOM 502 O HIS A 33 13.138 0.417 3.609 1.00 0.00 O ATOM 503 CB HIS A 33 11.276 -0.433 6.339 1.00 0.00 C ATOM 504 CG HIS A 33 11.557 -0.768 7.778 1.00 0.00 C ATOM 505 ND1 HIS A 33 12.235 -1.918 8.150 1.00 0.00 N ATOM 506 CD2 HIS A 33 11.259 -0.113 8.948 1.00 0.00 C ATOM 507 CE1 HIS A 33 12.320 -1.921 9.494 1.00 0.00 C ATOM 508 NE2 HIS A 33 11.742 -0.844 10.029 1.00 0.00 N ATOM 0 H HIS A 33 10.702 1.593 4.833 1.00 0.00 H new ATOM 0 HA HIS A 33 12.935 0.899 6.675 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.265 -0.037 6.237 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.328 -1.334 5.728 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.730 0.826 9.018 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.798 -2.700 10.069 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.670 -0.607 11.018 1.00 0.00 H new ATOM 516 N HIS A 34 13.901 -1.046 5.061 1.00 0.00 N ATOM 517 CA HIS A 34 14.758 -1.691 4.030 1.00 0.00 C ATOM 518 C HIS A 34 14.968 -3.167 4.388 1.00 0.00 C ATOM 519 O HIS A 34 14.532 -4.044 3.669 1.00 0.00 O ATOM 520 CB HIS A 34 16.108 -0.976 3.971 1.00 0.00 C ATOM 521 CG HIS A 34 16.172 -0.117 2.739 1.00 0.00 C ATOM 522 ND1 HIS A 34 16.339 1.258 2.805 1.00 0.00 N ATOM 523 CD2 HIS A 34 16.099 -0.421 1.402 1.00 0.00 C ATOM 524 CE1 HIS A 34 16.361 1.725 1.543 1.00 0.00 C ATOM 525 NE2 HIS A 34 16.219 0.743 0.649 1.00 0.00 N ATOM 0 H HIS A 34 13.954 -1.460 5.992 1.00 0.00 H new ATOM 0 HA HIS A 34 14.271 -1.624 3.057 1.00 0.00 H new ATOM 0 HB2 HIS A 34 16.245 -0.363 4.861 1.00 0.00 H new ATOM 0 HB3 HIS A 34 16.917 -1.706 3.960 1.00 0.00 H new ATOM 0 HD1 HIS A 34 16.429 1.814 3.655 1.00 0.00 H new ATOM 0 HD2 HIS A 34 15.968 -1.413 0.996 1.00 0.00 H new ATOM 0 HE1 HIS A 34 16.479 2.767 1.285 1.00 0.00 H new ATOM 533 N PRO A 35 15.629 -3.398 5.495 1.00 0.00 N ATOM 534 CA PRO A 35 15.862 -4.805 5.897 1.00 0.00 C ATOM 535 C PRO A 35 14.528 -5.524 6.124 1.00 0.00 C ATOM 536 O PRO A 35 14.100 -6.325 5.316 1.00 0.00 O ATOM 537 CB PRO A 35 16.661 -4.742 7.204 1.00 0.00 C ATOM 538 CG PRO A 35 16.903 -3.255 7.530 1.00 0.00 C ATOM 539 CD PRO A 35 16.261 -2.422 6.413 1.00 0.00 C ATOM 0 HA PRO A 35 16.398 -5.357 5.125 1.00 0.00 H new ATOM 0 HB2 PRO A 35 16.113 -5.227 8.012 1.00 0.00 H new ATOM 0 HB3 PRO A 35 17.609 -5.270 7.100 1.00 0.00 H new ATOM 0 HG2 PRO A 35 16.468 -3.000 8.496 1.00 0.00 H new ATOM 0 HG3 PRO A 35 17.971 -3.047 7.597 1.00 0.00 H new ATOM 0 HD2 PRO A 35 15.522 -1.730 6.817 1.00 0.00 H new ATOM 0 HD3 PRO A 35 17.008 -1.823 5.893 1.00 0.00 H new ATOM 547 N ALA A 36 13.871 -5.253 7.220 1.00 0.00 N ATOM 548 CA ALA A 36 12.572 -5.931 7.499 1.00 0.00 C ATOM 549 C ALA A 36 11.687 -5.898 6.250 1.00 0.00 C ATOM 550 O ALA A 36 11.763 -6.765 5.402 1.00 0.00 O ATOM 551 CB ALA A 36 11.855 -5.217 8.646 1.00 0.00 C ATOM 0 H ALA A 36 14.177 -4.592 7.934 1.00 0.00 H new ATOM 0 HA ALA A 36 12.765 -6.967 7.777 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.906 -5.714 8.848 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.478 -5.248 9.540 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.669 -4.179 8.369 1.00 0.00 H new ATOM 557 N MET A 37 10.841 -4.910 6.133 1.00 0.00 N ATOM 558 CA MET A 37 9.949 -4.833 4.942 1.00 0.00 C ATOM 559 C MET A 37 10.291 -3.589 4.122 1.00 0.00 C ATOM 560 O MET A 37 11.309 -2.957 4.325 1.00 0.00 O ATOM 561 CB MET A 37 8.492 -4.749 5.404 1.00 0.00 C ATOM 562 CG MET A 37 8.244 -3.393 6.066 1.00 0.00 C ATOM 563 SD MET A 37 7.323 -3.633 7.606 1.00 0.00 S ATOM 564 CE MET A 37 5.837 -4.361 6.873 1.00 0.00 C ATOM 0 H MET A 37 10.730 -4.155 6.809 1.00 0.00 H new ATOM 0 HA MET A 37 10.090 -5.722 4.327 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.822 -4.879 4.554 1.00 0.00 H new ATOM 0 HB3 MET A 37 8.275 -5.554 6.107 1.00 0.00 H new ATOM 0 HG2 MET A 37 9.193 -2.897 6.271 1.00 0.00 H new ATOM 0 HG3 MET A 37 7.684 -2.744 5.392 1.00 0.00 H new ATOM 0 HE1 MET A 37 4.955 -3.997 7.401 1.00 0.00 H new ATOM 0 HE2 MET A 37 5.774 -4.078 5.822 1.00 0.00 H new ATOM 0 HE3 MET A 37 5.886 -5.447 6.954 1.00 0.00 H new ATOM 574 N ILE A 38 9.445 -3.234 3.194 1.00 0.00 N ATOM 575 CA ILE A 38 9.711 -2.033 2.356 1.00 0.00 C ATOM 576 C ILE A 38 8.480 -1.123 2.379 1.00 0.00 C ATOM 577 O ILE A 38 7.492 -1.378 1.720 1.00 0.00 O ATOM 578 CB ILE A 38 10.010 -2.479 0.923 1.00 0.00 C ATOM 579 CG1 ILE A 38 8.746 -3.115 0.319 1.00 0.00 C ATOM 580 CG2 ILE A 38 11.158 -3.495 0.949 1.00 0.00 C ATOM 581 CD1 ILE A 38 9.119 -4.154 -0.746 1.00 0.00 C ATOM 0 H ILE A 38 8.578 -3.727 2.980 1.00 0.00 H new ATOM 0 HA ILE A 38 10.568 -1.484 2.746 1.00 0.00 H new ATOM 0 HB ILE A 38 10.302 -1.625 0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.159 -3.588 1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.119 -2.341 -0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.380 -3.820 -0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.044 -3.032 1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.868 -4.357 1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.211 -4.592 -1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.686 -3.671 -1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.726 -4.938 -0.293 1.00 0.00 H new ATOM 593 N ARG A 39 8.525 -0.071 3.149 1.00 0.00 N ATOM 594 CA ARG A 39 7.354 0.847 3.230 1.00 0.00 C ATOM 595 C ARG A 39 7.446 1.900 2.126 1.00 0.00 C ATOM 596 O ARG A 39 8.459 2.038 1.469 1.00 0.00 O ATOM 597 CB ARG A 39 7.342 1.544 4.594 1.00 0.00 C ATOM 598 CG ARG A 39 7.673 0.536 5.700 1.00 0.00 C ATOM 599 CD ARG A 39 6.378 0.045 6.347 1.00 0.00 C ATOM 600 NE ARG A 39 6.150 0.776 7.634 1.00 0.00 N ATOM 601 CZ ARG A 39 7.090 0.866 8.541 1.00 0.00 C ATOM 602 NH1 ARG A 39 8.186 0.163 8.438 1.00 0.00 N ATOM 603 NH2 ARG A 39 6.906 1.626 9.587 1.00 0.00 N ATOM 0 H ARG A 39 9.323 0.193 3.726 1.00 0.00 H new ATOM 0 HA ARG A 39 6.438 0.270 3.106 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.068 2.357 4.603 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.363 1.988 4.776 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.227 -0.306 5.285 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.313 1.000 6.450 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.538 0.207 5.671 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.436 -1.028 6.532 1.00 0.00 H new ATOM 0 HE ARG A 39 5.245 1.212 7.807 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.317 -0.465 7.645 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.911 0.242 9.151 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.034 2.145 9.693 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.634 1.701 10.297 1.00 0.00 H new ATOM 617 N ILE A 40 6.397 2.650 1.918 1.00 0.00 N ATOM 618 CA ILE A 40 6.435 3.695 0.859 1.00 0.00 C ATOM 619 C ILE A 40 5.670 4.935 1.329 1.00 0.00 C ATOM 620 O ILE A 40 4.927 4.888 2.289 1.00 0.00 O ATOM 621 CB ILE A 40 5.801 3.156 -0.423 1.00 0.00 C ATOM 622 CG1 ILE A 40 6.548 1.896 -0.869 1.00 0.00 C ATOM 623 CG2 ILE A 40 5.890 4.217 -1.522 1.00 0.00 C ATOM 624 CD1 ILE A 40 5.974 1.406 -2.200 1.00 0.00 C ATOM 0 H ILE A 40 5.520 2.584 2.434 1.00 0.00 H new ATOM 0 HA ILE A 40 7.472 3.965 0.661 1.00 0.00 H new ATOM 0 HB ILE A 40 4.755 2.913 -0.237 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.611 2.110 -0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.454 1.118 -0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.438 3.833 -2.436 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.360 5.115 -1.205 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.936 4.460 -1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.506 0.509 -2.517 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.916 1.176 -2.077 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.091 2.183 -2.955 1.00 0.00 H new ATOM 636 N GLU A 41 5.852 6.046 0.665 1.00 0.00 N ATOM 637 CA GLU A 41 5.142 7.290 1.083 1.00 0.00 C ATOM 638 C GLU A 41 4.749 8.111 -0.144 1.00 0.00 C ATOM 639 O GLU A 41 5.437 8.133 -1.145 1.00 0.00 O ATOM 640 CB GLU A 41 6.067 8.122 1.973 1.00 0.00 C ATOM 641 CG GLU A 41 5.421 8.303 3.347 1.00 0.00 C ATOM 642 CD GLU A 41 5.296 9.794 3.662 1.00 0.00 C ATOM 643 OE1 GLU A 41 5.930 10.579 2.976 1.00 0.00 O ATOM 644 OE2 GLU A 41 4.568 10.126 4.583 1.00 0.00 O ATOM 0 H GLU A 41 6.461 6.146 -0.147 1.00 0.00 H new ATOM 0 HA GLU A 41 4.240 7.019 1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.033 7.628 2.075 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.253 9.094 1.515 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.437 7.834 3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.022 7.809 4.111 1.00 0.00 H new ATOM 651 N ALA A 42 3.644 8.797 -0.059 1.00 0.00 N ATOM 652 CA ALA A 42 3.185 9.639 -1.199 1.00 0.00 C ATOM 653 C ALA A 42 2.914 11.054 -0.678 1.00 0.00 C ATOM 654 O ALA A 42 3.233 11.373 0.449 1.00 0.00 O ATOM 655 CB ALA A 42 1.901 9.052 -1.788 1.00 0.00 C ATOM 0 H ALA A 42 3.034 8.811 0.758 1.00 0.00 H new ATOM 0 HA ALA A 42 3.949 9.666 -1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.567 9.670 -2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.093 8.039 -2.141 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.127 9.028 -1.021 1.00 0.00 H new ATOM 661 N GLU A 43 2.347 11.912 -1.482 1.00 0.00 N ATOM 662 CA GLU A 43 2.090 13.307 -1.014 1.00 0.00 C ATOM 663 C GLU A 43 0.727 13.795 -1.515 1.00 0.00 C ATOM 664 O GLU A 43 0.655 14.726 -2.292 1.00 0.00 O ATOM 665 CB GLU A 43 3.179 14.225 -1.570 1.00 0.00 C ATOM 666 CG GLU A 43 4.499 13.950 -0.846 1.00 0.00 C ATOM 667 CD GLU A 43 5.197 15.274 -0.532 1.00 0.00 C ATOM 668 OE1 GLU A 43 4.876 16.258 -1.178 1.00 0.00 O ATOM 669 OE2 GLU A 43 6.040 15.282 0.349 1.00 0.00 O ATOM 0 H GLU A 43 2.052 11.711 -2.437 1.00 0.00 H new ATOM 0 HA GLU A 43 2.096 13.323 0.076 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.298 14.058 -2.641 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.891 15.268 -1.440 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.312 13.398 0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.143 13.326 -1.466 1.00 0.00 H new ATOM 676 N LYS A 44 -0.357 13.193 -1.079 1.00 0.00 N ATOM 677 CA LYS A 44 -1.690 13.657 -1.555 1.00 0.00 C ATOM 678 C LYS A 44 -2.792 12.745 -1.015 1.00 0.00 C ATOM 679 O LYS A 44 -2.766 12.332 0.128 1.00 0.00 O ATOM 680 CB LYS A 44 -1.714 13.635 -3.085 1.00 0.00 C ATOM 681 CG LYS A 44 -2.644 14.735 -3.596 1.00 0.00 C ATOM 682 CD LYS A 44 -3.304 14.283 -4.900 1.00 0.00 C ATOM 683 CE LYS A 44 -3.879 15.500 -5.627 1.00 0.00 C ATOM 684 NZ LYS A 44 -5.107 15.101 -6.370 1.00 0.00 N ATOM 0 H LYS A 44 -0.372 12.412 -0.423 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.864 14.671 -1.195 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.708 13.783 -3.477 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.054 12.662 -3.440 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.406 14.957 -2.849 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.081 15.654 -3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.575 13.778 -5.534 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.096 13.564 -4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.114 16.287 -4.911 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.140 15.907 -6.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.498 15.928 -6.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.869 14.364 -7.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.813 14.732 -5.701 1.00 0.00 H new ATOM 698 N ARG A 45 -3.774 12.445 -1.823 1.00 0.00 N ATOM 699 CA ARG A 45 -4.888 11.584 -1.353 1.00 0.00 C ATOM 700 C ARG A 45 -5.079 10.403 -2.304 1.00 0.00 C ATOM 701 O ARG A 45 -4.548 10.373 -3.396 1.00 0.00 O ATOM 702 CB ARG A 45 -6.168 12.416 -1.317 1.00 0.00 C ATOM 703 CG ARG A 45 -5.898 13.713 -0.552 1.00 0.00 C ATOM 704 CD ARG A 45 -6.223 14.910 -1.447 1.00 0.00 C ATOM 705 NE ARG A 45 -5.042 15.818 -1.512 1.00 0.00 N ATOM 706 CZ ARG A 45 -4.972 16.741 -2.436 1.00 0.00 C ATOM 707 NH1 ARG A 45 -5.932 16.866 -3.312 1.00 0.00 N ATOM 708 NH2 ARG A 45 -3.939 17.536 -2.485 1.00 0.00 N ATOM 0 H ARG A 45 -3.849 12.762 -2.790 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.657 11.202 -0.359 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.501 12.639 -2.331 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.969 11.855 -0.835 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.504 13.747 0.353 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.855 13.752 -0.238 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.488 14.568 -2.448 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.087 15.447 -1.055 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.287 15.719 -0.834 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.739 16.243 -3.277 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.875 17.587 -4.032 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.187 17.437 -1.803 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.883 18.256 -3.205 1.00 0.00 H new ATOM 722 N LEU A 46 -5.833 9.426 -1.884 1.00 0.00 N ATOM 723 CA LEU A 46 -6.069 8.227 -2.739 1.00 0.00 C ATOM 724 C LEU A 46 -7.575 7.967 -2.826 1.00 0.00 C ATOM 725 O LEU A 46 -8.331 8.392 -1.977 1.00 0.00 O ATOM 726 CB LEU A 46 -5.379 7.003 -2.120 1.00 0.00 C ATOM 727 CG LEU A 46 -4.252 7.446 -1.180 1.00 0.00 C ATOM 728 CD1 LEU A 46 -3.534 6.215 -0.629 1.00 0.00 C ATOM 729 CD2 LEU A 46 -3.254 8.310 -1.948 1.00 0.00 C ATOM 0 H LEU A 46 -6.300 9.406 -0.978 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.662 8.404 -3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.107 6.406 -1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.976 6.367 -2.908 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.675 8.022 -0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.733 6.530 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.243 5.596 -0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.113 5.640 -1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.454 8.624 -1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.833 7.734 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.763 9.190 -2.343 1.00 0.00 H new ATOM 741 N GLU A 47 -8.021 7.274 -3.841 1.00 0.00 N ATOM 742 CA GLU A 47 -9.484 6.998 -3.964 1.00 0.00 C ATOM 743 C GLU A 47 -9.707 5.677 -4.706 1.00 0.00 C ATOM 744 O GLU A 47 -9.029 5.368 -5.665 1.00 0.00 O ATOM 745 CB GLU A 47 -10.153 8.134 -4.741 1.00 0.00 C ATOM 746 CG GLU A 47 -10.815 9.105 -3.760 1.00 0.00 C ATOM 747 CD GLU A 47 -11.756 10.040 -4.523 1.00 0.00 C ATOM 748 OE1 GLU A 47 -11.896 9.859 -5.722 1.00 0.00 O ATOM 749 OE2 GLU A 47 -12.319 10.921 -3.896 1.00 0.00 O ATOM 0 H GLU A 47 -7.440 6.889 -4.586 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.919 6.927 -2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.414 8.659 -5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.897 7.730 -5.427 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.370 8.551 -3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.055 9.685 -3.237 1.00 0.00 H new ATOM 756 N ILE A 48 -10.660 4.898 -4.267 1.00 0.00 N ATOM 757 CA ILE A 48 -10.940 3.598 -4.941 1.00 0.00 C ATOM 758 C ILE A 48 -12.456 3.395 -5.032 1.00 0.00 C ATOM 759 O ILE A 48 -13.208 3.872 -4.203 1.00 0.00 O ATOM 760 CB ILE A 48 -10.320 2.452 -4.136 1.00 0.00 C ATOM 761 CG1 ILE A 48 -8.968 2.893 -3.567 1.00 0.00 C ATOM 762 CG2 ILE A 48 -10.112 1.240 -5.046 1.00 0.00 C ATOM 763 CD1 ILE A 48 -9.144 3.330 -2.111 1.00 0.00 C ATOM 0 H ILE A 48 -11.258 5.108 -3.468 1.00 0.00 H new ATOM 0 HA ILE A 48 -10.508 3.608 -5.942 1.00 0.00 H new ATOM 0 HB ILE A 48 -10.990 2.186 -3.318 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.251 2.074 -3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.564 3.715 -4.158 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -9.671 0.425 -4.472 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -11.072 0.920 -5.451 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -9.445 1.510 -5.865 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -8.182 3.644 -1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -9.846 4.162 -2.063 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -9.529 2.496 -1.525 1.00 0.00 H new ATOM 775 N ARG A 49 -12.914 2.695 -6.036 1.00 0.00 N ATOM 776 CA ARG A 49 -14.382 2.472 -6.181 1.00 0.00 C ATOM 777 C ARG A 49 -14.763 1.108 -5.602 1.00 0.00 C ATOM 778 O ARG A 49 -13.921 0.345 -5.172 1.00 0.00 O ATOM 779 CB ARG A 49 -14.761 2.518 -7.664 1.00 0.00 C ATOM 780 CG ARG A 49 -14.457 3.908 -8.230 1.00 0.00 C ATOM 781 CD ARG A 49 -15.752 4.718 -8.326 1.00 0.00 C ATOM 782 NE ARG A 49 -15.687 5.620 -9.512 1.00 0.00 N ATOM 783 CZ ARG A 49 -16.772 6.199 -9.956 1.00 0.00 C ATOM 784 NH1 ARG A 49 -17.917 5.990 -9.363 1.00 0.00 N ATOM 785 NH2 ARG A 49 -16.711 6.987 -10.995 1.00 0.00 N ATOM 0 H ARG A 49 -12.336 2.269 -6.760 1.00 0.00 H new ATOM 0 HA ARG A 49 -14.917 3.253 -5.640 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.204 1.760 -8.215 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -15.819 2.288 -7.786 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.740 4.423 -7.590 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.998 3.818 -9.215 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -16.607 4.048 -8.412 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -15.896 5.303 -7.418 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.795 5.785 -9.978 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -17.966 5.374 -8.552 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -18.762 6.443 -9.711 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.818 7.150 -11.459 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -17.557 7.439 -11.342 1.00 0.00 H new ATOM 799 N ARG A 50 -16.032 0.796 -5.590 1.00 0.00 N ATOM 800 CA ARG A 50 -16.472 -0.517 -5.042 1.00 0.00 C ATOM 801 C ARG A 50 -15.965 -1.639 -5.948 1.00 0.00 C ATOM 802 O ARG A 50 -15.798 -2.765 -5.524 1.00 0.00 O ATOM 803 CB ARG A 50 -18.001 -0.564 -4.981 1.00 0.00 C ATOM 804 CG ARG A 50 -18.569 -0.616 -6.400 1.00 0.00 C ATOM 805 CD ARG A 50 -19.987 -0.042 -6.402 1.00 0.00 C ATOM 806 NE ARG A 50 -19.922 1.446 -6.364 1.00 0.00 N ATOM 807 CZ ARG A 50 -20.977 2.156 -6.661 1.00 0.00 C ATOM 808 NH1 ARG A 50 -22.095 1.566 -6.990 1.00 0.00 N ATOM 809 NH2 ARG A 50 -20.916 3.460 -6.626 1.00 0.00 N ATOM 0 H ARG A 50 -16.782 1.395 -5.936 1.00 0.00 H new ATOM 0 HA ARG A 50 -16.067 -0.645 -4.038 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -18.326 -1.438 -4.416 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -18.381 0.313 -4.458 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -17.934 -0.047 -7.079 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -18.581 -1.644 -6.761 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -20.522 -0.370 -7.293 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -20.542 -0.414 -5.541 1.00 0.00 H new ATOM 0 HE ARG A 50 -19.052 1.911 -6.105 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -22.146 0.548 -7.015 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -22.917 2.124 -7.221 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -20.045 3.923 -6.367 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -21.739 4.015 -6.858 1.00 0.00 H new ATOM 823 N GLU A 51 -15.714 -1.341 -7.193 1.00 0.00 N ATOM 824 CA GLU A 51 -15.213 -2.391 -8.121 1.00 0.00 C ATOM 825 C GLU A 51 -14.039 -3.114 -7.467 1.00 0.00 C ATOM 826 O GLU A 51 -13.912 -4.320 -7.545 1.00 0.00 O ATOM 827 CB GLU A 51 -14.751 -1.743 -9.424 1.00 0.00 C ATOM 828 CG GLU A 51 -15.969 -1.419 -10.285 1.00 0.00 C ATOM 829 CD GLU A 51 -16.430 -2.683 -11.013 1.00 0.00 C ATOM 830 OE1 GLU A 51 -15.755 -3.692 -10.892 1.00 0.00 O ATOM 831 OE2 GLU A 51 -17.450 -2.621 -11.678 1.00 0.00 O ATOM 0 H GLU A 51 -15.834 -0.416 -7.607 1.00 0.00 H new ATOM 0 HA GLU A 51 -16.010 -3.102 -8.336 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.189 -0.834 -9.212 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.081 -2.415 -9.960 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -16.775 -1.031 -9.662 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.721 -0.641 -11.007 1.00 0.00 H new ATOM 838 N THR A 52 -13.180 -2.387 -6.812 1.00 0.00 N ATOM 839 CA THR A 52 -12.024 -3.044 -6.147 1.00 0.00 C ATOM 840 C THR A 52 -12.546 -3.938 -5.026 1.00 0.00 C ATOM 841 O THR A 52 -12.150 -5.077 -4.892 1.00 0.00 O ATOM 842 CB THR A 52 -11.090 -1.987 -5.559 1.00 0.00 C ATOM 843 OG1 THR A 52 -11.209 -0.782 -6.303 1.00 0.00 O ATOM 844 CG2 THR A 52 -9.646 -2.488 -5.618 1.00 0.00 C ATOM 0 H THR A 52 -13.228 -1.373 -6.709 1.00 0.00 H new ATOM 0 HA THR A 52 -11.473 -3.638 -6.876 1.00 0.00 H new ATOM 0 HB THR A 52 -11.363 -1.799 -4.521 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.462 -0.712 -6.934 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.981 -1.733 -5.198 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.557 -3.410 -5.043 1.00 0.00 H new ATOM 0 HG23 THR A 52 -9.369 -2.679 -6.655 1.00 0.00 H new ATOM 852 N VAL A 53 -13.444 -3.436 -4.224 1.00 0.00 N ATOM 853 CA VAL A 53 -13.996 -4.270 -3.126 1.00 0.00 C ATOM 854 C VAL A 53 -14.577 -5.545 -3.734 1.00 0.00 C ATOM 855 O VAL A 53 -14.700 -6.562 -3.080 1.00 0.00 O ATOM 856 CB VAL A 53 -15.094 -3.499 -2.393 1.00 0.00 C ATOM 857 CG1 VAL A 53 -15.777 -4.421 -1.381 1.00 0.00 C ATOM 858 CG2 VAL A 53 -14.473 -2.308 -1.658 1.00 0.00 C ATOM 0 H VAL A 53 -13.817 -2.488 -4.283 1.00 0.00 H new ATOM 0 HA VAL A 53 -13.209 -4.520 -2.414 1.00 0.00 H new ATOM 0 HB VAL A 53 -15.830 -3.141 -3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -16.560 -3.871 -0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -16.217 -5.271 -1.902 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -15.042 -4.778 -0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.254 -1.756 -1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -13.738 -2.668 -0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -13.985 -1.651 -2.378 1.00 0.00 H new ATOM 868 N GLU A 54 -14.921 -5.498 -4.993 1.00 0.00 N ATOM 869 CA GLU A 54 -15.477 -6.704 -5.659 1.00 0.00 C ATOM 870 C GLU A 54 -14.326 -7.674 -5.935 1.00 0.00 C ATOM 871 O GLU A 54 -14.465 -8.875 -5.802 1.00 0.00 O ATOM 872 CB GLU A 54 -16.164 -6.288 -6.972 1.00 0.00 C ATOM 873 CG GLU A 54 -16.131 -7.438 -7.985 1.00 0.00 C ATOM 874 CD GLU A 54 -17.427 -7.441 -8.799 1.00 0.00 C ATOM 875 OE1 GLU A 54 -18.406 -7.986 -8.316 1.00 0.00 O ATOM 876 OE2 GLU A 54 -17.418 -6.899 -9.892 1.00 0.00 O ATOM 0 H GLU A 54 -14.840 -4.673 -5.588 1.00 0.00 H new ATOM 0 HA GLU A 54 -16.216 -7.191 -5.023 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -17.196 -6.000 -6.773 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -15.664 -5.414 -7.389 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -15.273 -7.328 -8.648 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -16.013 -8.390 -7.467 1.00 0.00 H new ATOM 883 N GLU A 55 -13.184 -7.162 -6.308 1.00 0.00 N ATOM 884 CA GLU A 55 -12.026 -8.059 -6.579 1.00 0.00 C ATOM 885 C GLU A 55 -11.590 -8.717 -5.269 1.00 0.00 C ATOM 886 O GLU A 55 -11.484 -9.924 -5.173 1.00 0.00 O ATOM 887 CB GLU A 55 -10.865 -7.245 -7.153 1.00 0.00 C ATOM 888 CG GLU A 55 -9.737 -8.193 -7.566 1.00 0.00 C ATOM 889 CD GLU A 55 -8.396 -7.462 -7.483 1.00 0.00 C ATOM 890 OE1 GLU A 55 -7.894 -7.311 -6.382 1.00 0.00 O ATOM 891 OE2 GLU A 55 -7.894 -7.066 -8.523 1.00 0.00 O ATOM 0 H GLU A 55 -13.004 -6.166 -6.436 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.316 -8.824 -7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.202 -6.666 -8.013 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.504 -6.533 -6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.727 -9.067 -6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.904 -8.553 -8.581 1.00 0.00 H new ATOM 898 N ASN A 56 -11.342 -7.932 -4.256 1.00 0.00 N ATOM 899 CA ASN A 56 -10.921 -8.510 -2.951 1.00 0.00 C ATOM 900 C ASN A 56 -11.972 -9.518 -2.487 1.00 0.00 C ATOM 901 O ASN A 56 -11.661 -10.509 -1.859 1.00 0.00 O ATOM 902 CB ASN A 56 -10.792 -7.392 -1.913 1.00 0.00 C ATOM 903 CG ASN A 56 -9.360 -7.354 -1.378 1.00 0.00 C ATOM 904 OD1 ASN A 56 -8.579 -6.503 -1.757 1.00 0.00 O ATOM 905 ND2 ASN A 56 -8.979 -8.246 -0.504 1.00 0.00 N ATOM 0 H ASN A 56 -11.413 -6.915 -4.277 1.00 0.00 H new ATOM 0 HA ASN A 56 -9.958 -9.009 -3.065 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -11.049 -6.433 -2.362 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -11.493 -7.559 -1.095 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.026 -8.229 -0.140 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.634 -8.960 -0.186 1.00 0.00 H new ATOM 912 N LEU A 57 -13.217 -9.274 -2.794 1.00 0.00 N ATOM 913 CA LEU A 57 -14.283 -10.224 -2.373 1.00 0.00 C ATOM 914 C LEU A 57 -13.979 -11.605 -2.952 1.00 0.00 C ATOM 915 O LEU A 57 -13.879 -12.581 -2.237 1.00 0.00 O ATOM 916 CB LEU A 57 -15.639 -9.738 -2.890 1.00 0.00 C ATOM 917 CG LEU A 57 -16.716 -10.771 -2.550 1.00 0.00 C ATOM 918 CD1 LEU A 57 -17.292 -10.472 -1.164 1.00 0.00 C ATOM 919 CD2 LEU A 57 -17.836 -10.701 -3.590 1.00 0.00 C ATOM 0 H LEU A 57 -13.540 -8.460 -3.317 1.00 0.00 H new ATOM 0 HA LEU A 57 -14.315 -10.281 -1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.888 -8.776 -2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -15.595 -9.584 -3.968 1.00 0.00 H new ATOM 0 HG LEU A 57 -16.275 -11.768 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -18.059 -11.208 -0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -16.496 -10.520 -0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -17.732 -9.475 -1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -18.603 -11.436 -3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -18.275 -9.703 -3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -17.428 -10.913 -4.578 1.00 0.00 H new ATOM 931 N GLY A 58 -13.826 -11.694 -4.246 1.00 0.00 N ATOM 932 CA GLY A 58 -13.522 -13.013 -4.869 1.00 0.00 C ATOM 933 C GLY A 58 -12.088 -13.419 -4.522 1.00 0.00 C ATOM 934 O GLY A 58 -11.658 -14.520 -4.805 1.00 0.00 O ATOM 0 H GLY A 58 -13.898 -10.912 -4.897 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -14.222 -13.767 -4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.644 -12.954 -5.951 1.00 0.00 H new ATOM 938 N ARG A 59 -11.345 -12.537 -3.909 1.00 0.00 N ATOM 939 CA ARG A 59 -9.940 -12.866 -3.542 1.00 0.00 C ATOM 940 C ARG A 59 -9.791 -12.832 -2.019 1.00 0.00 C ATOM 941 O ARG A 59 -8.698 -12.883 -1.491 1.00 0.00 O ATOM 942 CB ARG A 59 -9.005 -11.829 -4.166 1.00 0.00 C ATOM 943 CG ARG A 59 -7.732 -12.516 -4.665 1.00 0.00 C ATOM 944 CD ARG A 59 -7.188 -11.762 -5.878 1.00 0.00 C ATOM 945 NE ARG A 59 -6.912 -12.728 -6.987 1.00 0.00 N ATOM 946 CZ ARG A 59 -6.217 -13.819 -6.781 1.00 0.00 C ATOM 947 NH1 ARG A 59 -5.586 -14.006 -5.652 1.00 0.00 N ATOM 948 NH2 ARG A 59 -6.109 -14.704 -7.735 1.00 0.00 N ATOM 0 H ARG A 59 -11.653 -11.601 -3.646 1.00 0.00 H new ATOM 0 HA ARG A 59 -9.686 -13.860 -3.910 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.506 -11.325 -4.993 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -8.753 -11.064 -3.432 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.984 -12.539 -3.872 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.945 -13.551 -4.932 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.908 -11.012 -6.206 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.275 -11.231 -5.609 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.272 -12.533 -7.921 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.631 -13.298 -4.919 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.048 -14.860 -5.504 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.564 -14.543 -8.634 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.569 -15.556 -7.582 1.00 0.00 H new ATOM 962 N ALA A 60 -10.884 -12.742 -1.310 1.00 0.00 N ATOM 963 CA ALA A 60 -10.808 -12.699 0.177 1.00 0.00 C ATOM 964 C ALA A 60 -10.357 -14.060 0.710 1.00 0.00 C ATOM 965 O ALA A 60 -10.104 -14.222 1.887 1.00 0.00 O ATOM 966 CB ALA A 60 -12.186 -12.357 0.748 1.00 0.00 C ATOM 0 H ALA A 60 -11.826 -12.696 -1.698 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.089 -11.938 0.480 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -12.131 -12.325 1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.504 -11.385 0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.905 -13.117 0.443 1.00 0.00 H new ATOM 972 N TRP A 61 -10.251 -15.042 -0.143 1.00 0.00 N ATOM 973 CA TRP A 61 -9.814 -16.386 0.326 1.00 0.00 C ATOM 974 C TRP A 61 -8.294 -16.494 0.207 1.00 0.00 C ATOM 975 O TRP A 61 -7.734 -17.572 0.186 1.00 0.00 O ATOM 976 CB TRP A 61 -10.472 -17.470 -0.528 1.00 0.00 C ATOM 977 CG TRP A 61 -10.344 -18.791 0.159 1.00 0.00 C ATOM 978 CD1 TRP A 61 -10.331 -18.971 1.500 1.00 0.00 C ATOM 979 CD2 TRP A 61 -10.210 -20.116 -0.432 1.00 0.00 C ATOM 980 NE1 TRP A 61 -10.201 -20.321 1.769 1.00 0.00 N ATOM 981 CE2 TRP A 61 -10.122 -21.068 0.610 1.00 0.00 C ATOM 982 CE3 TRP A 61 -10.159 -20.578 -1.759 1.00 0.00 C ATOM 983 CZ2 TRP A 61 -9.986 -22.431 0.346 1.00 0.00 C ATOM 984 CZ3 TRP A 61 -10.023 -21.950 -2.029 1.00 0.00 C ATOM 985 CH2 TRP A 61 -9.937 -22.874 -0.978 1.00 0.00 C ATOM 0 H TRP A 61 -10.448 -14.972 -1.141 1.00 0.00 H new ATOM 0 HA TRP A 61 -10.110 -16.520 1.366 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -11.523 -17.232 -0.690 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -10.000 -17.511 -1.510 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -10.409 -18.188 2.240 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -10.168 -20.717 2.708 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -10.225 -19.874 -2.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -9.919 -23.139 1.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -9.984 -22.295 -3.052 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -9.833 -23.927 -1.192 1.00 0.00 H new ATOM 996 N ASP A 62 -7.626 -15.379 0.131 1.00 0.00 N ATOM 997 CA ASP A 62 -6.141 -15.402 0.014 1.00 0.00 C ATOM 998 C ASP A 62 -5.518 -14.846 1.296 1.00 0.00 C ATOM 999 O ASP A 62 -4.332 -14.591 1.360 1.00 0.00 O ATOM 1000 CB ASP A 62 -5.711 -14.541 -1.174 1.00 0.00 C ATOM 1001 CG ASP A 62 -4.184 -14.461 -1.220 1.00 0.00 C ATOM 1002 OD1 ASP A 62 -3.568 -15.462 -1.545 1.00 0.00 O ATOM 1003 OD2 ASP A 62 -3.658 -13.399 -0.931 1.00 0.00 O ATOM 0 H ASP A 62 -8.045 -14.449 0.145 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.805 -16.428 -0.138 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.092 -14.967 -2.102 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.136 -13.541 -1.085 1.00 0.00 H new ATOM 1008 N VAL A 63 -6.308 -14.649 2.317 1.00 0.00 N ATOM 1009 CA VAL A 63 -5.759 -14.102 3.592 1.00 0.00 C ATOM 1010 C VAL A 63 -4.518 -14.893 4.005 1.00 0.00 C ATOM 1011 O VAL A 63 -3.508 -14.330 4.378 1.00 0.00 O ATOM 1012 CB VAL A 63 -6.810 -14.215 4.694 1.00 0.00 C ATOM 1013 CG1 VAL A 63 -6.442 -13.279 5.846 1.00 0.00 C ATOM 1014 CG2 VAL A 63 -8.182 -13.826 4.139 1.00 0.00 C ATOM 0 H VAL A 63 -7.309 -14.843 2.324 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.492 -13.056 3.442 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.845 -15.243 5.056 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.192 -13.359 6.633 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.466 -13.558 6.244 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.405 -12.252 5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.930 -13.908 4.928 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.149 -12.799 3.775 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.445 -14.494 3.319 1.00 0.00 H new ATOM 1024 N GLN A 64 -4.585 -16.195 3.952 1.00 0.00 N ATOM 1025 CA GLN A 64 -3.408 -17.016 4.350 1.00 0.00 C ATOM 1026 C GLN A 64 -2.169 -16.525 3.600 1.00 0.00 C ATOM 1027 O GLN A 64 -1.114 -16.345 4.174 1.00 0.00 O ATOM 1028 CB GLN A 64 -3.667 -18.483 4.004 1.00 0.00 C ATOM 1029 CG GLN A 64 -4.163 -19.221 5.249 1.00 0.00 C ATOM 1030 CD GLN A 64 -5.504 -18.632 5.691 1.00 0.00 C ATOM 1031 OE1 GLN A 64 -6.546 -19.035 5.212 1.00 0.00 O ATOM 1032 NE2 GLN A 64 -5.524 -17.687 6.592 1.00 0.00 N ATOM 0 H GLN A 64 -5.403 -16.725 3.651 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.245 -16.921 5.424 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.407 -18.555 3.207 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.753 -18.947 3.633 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.274 -20.284 5.035 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.432 -19.132 6.053 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.650 -17.348 6.995 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.413 -17.288 6.893 1.00 0.00 H new ATOM 1041 N GLU A 65 -2.290 -16.302 2.321 1.00 0.00 N ATOM 1042 CA GLU A 65 -1.121 -15.817 1.538 1.00 0.00 C ATOM 1043 C GLU A 65 -0.783 -14.390 1.971 1.00 0.00 C ATOM 1044 O GLU A 65 0.351 -13.959 1.892 1.00 0.00 O ATOM 1045 CB GLU A 65 -1.461 -15.834 0.047 1.00 0.00 C ATOM 1046 CG GLU A 65 -0.174 -15.969 -0.769 1.00 0.00 C ATOM 1047 CD GLU A 65 -0.420 -16.887 -1.967 1.00 0.00 C ATOM 1048 OE1 GLU A 65 -1.574 -17.084 -2.310 1.00 0.00 O ATOM 1049 OE2 GLU A 65 0.550 -17.378 -2.521 1.00 0.00 O ATOM 0 H GLU A 65 -3.148 -16.435 1.785 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.264 -16.466 1.718 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.133 -16.663 -0.174 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.984 -14.918 -0.228 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.156 -14.988 -1.111 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.623 -16.374 -0.145 1.00 0.00 H new ATOM 1056 N MET A 66 -1.757 -13.655 2.434 1.00 0.00 N ATOM 1057 CA MET A 66 -1.490 -12.259 2.876 1.00 0.00 C ATOM 1058 C MET A 66 -0.767 -12.287 4.225 1.00 0.00 C ATOM 1059 O MET A 66 -0.162 -11.318 4.637 1.00 0.00 O ATOM 1060 CB MET A 66 -2.816 -11.509 3.020 1.00 0.00 C ATOM 1061 CG MET A 66 -2.999 -10.566 1.829 1.00 0.00 C ATOM 1062 SD MET A 66 -3.926 -9.103 2.354 1.00 0.00 S ATOM 1063 CE MET A 66 -5.573 -9.853 2.315 1.00 0.00 C ATOM 0 H MET A 66 -2.726 -13.962 2.525 1.00 0.00 H new ATOM 0 HA MET A 66 -0.867 -11.753 2.139 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.643 -12.217 3.068 1.00 0.00 H new ATOM 0 HB3 MET A 66 -2.827 -10.943 3.951 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.027 -10.271 1.433 1.00 0.00 H new ATOM 0 HG3 MET A 66 -3.530 -11.077 1.025 1.00 0.00 H new ATOM 0 HE1 MET A 66 -6.317 -9.113 2.610 1.00 0.00 H new ATOM 0 HE2 MET A 66 -5.790 -10.203 1.306 1.00 0.00 H new ATOM 0 HE3 MET A 66 -5.605 -10.696 3.006 1.00 0.00 H new ATOM 1073 N LEU A 67 -0.825 -13.394 4.914 1.00 0.00 N ATOM 1074 CA LEU A 67 -0.142 -13.490 6.236 1.00 0.00 C ATOM 1075 C LEU A 67 1.375 -13.494 6.030 1.00 0.00 C ATOM 1076 O LEU A 67 2.083 -12.659 6.557 1.00 0.00 O ATOM 1077 CB LEU A 67 -0.566 -14.786 6.933 1.00 0.00 C ATOM 1078 CG LEU A 67 -0.806 -14.518 8.420 1.00 0.00 C ATOM 1079 CD1 LEU A 67 0.502 -14.083 9.083 1.00 0.00 C ATOM 1080 CD2 LEU A 67 -1.847 -13.408 8.578 1.00 0.00 C ATOM 0 H LEU A 67 -1.317 -14.237 4.618 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.421 -12.635 6.853 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.474 -15.177 6.473 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.206 -15.545 6.811 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.168 -15.430 8.895 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.327 -13.893 10.142 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.245 -14.873 8.974 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.866 -13.173 8.606 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.018 -13.217 9.638 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.484 -12.498 8.099 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.782 -13.716 8.110 1.00 0.00 H new ATOM 1092 N VAL A 68 1.881 -14.427 5.269 1.00 0.00 N ATOM 1093 CA VAL A 68 3.352 -14.481 5.034 1.00 0.00 C ATOM 1094 C VAL A 68 3.866 -13.082 4.685 1.00 0.00 C ATOM 1095 O VAL A 68 4.637 -12.493 5.417 1.00 0.00 O ATOM 1096 CB VAL A 68 3.651 -15.439 3.880 1.00 0.00 C ATOM 1097 CG1 VAL A 68 5.161 -15.495 3.637 1.00 0.00 C ATOM 1098 CG2 VAL A 68 3.143 -16.838 4.235 1.00 0.00 C ATOM 0 H VAL A 68 1.339 -15.153 4.800 1.00 0.00 H new ATOM 0 HA VAL A 68 3.850 -14.835 5.936 1.00 0.00 H new ATOM 0 HB VAL A 68 3.151 -15.086 2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.372 -16.178 2.814 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.526 -14.499 3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.662 -15.847 4.539 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.356 -17.522 3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.644 -17.189 5.137 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.067 -16.802 4.408 1.00 0.00 H new ATOM 1108 N ASP A 69 3.444 -12.542 3.572 1.00 0.00 N ATOM 1109 CA ASP A 69 3.911 -11.180 3.182 1.00 0.00 C ATOM 1110 C ASP A 69 3.063 -10.127 3.899 1.00 0.00 C ATOM 1111 O ASP A 69 1.933 -10.373 4.269 1.00 0.00 O ATOM 1112 CB ASP A 69 3.771 -10.998 1.667 1.00 0.00 C ATOM 1113 CG ASP A 69 2.445 -11.600 1.194 1.00 0.00 C ATOM 1114 OD1 ASP A 69 1.441 -11.356 1.843 1.00 0.00 O ATOM 1115 OD2 ASP A 69 2.457 -12.293 0.190 1.00 0.00 O ATOM 0 H ASP A 69 2.798 -12.984 2.918 1.00 0.00 H new ATOM 0 HA ASP A 69 4.957 -11.064 3.464 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.811 -9.939 1.413 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.603 -11.480 1.155 1.00 0.00 H new ATOM 1120 N VAL A 70 3.598 -8.952 4.096 1.00 0.00 N ATOM 1121 CA VAL A 70 2.815 -7.885 4.788 1.00 0.00 C ATOM 1122 C VAL A 70 2.224 -6.928 3.750 1.00 0.00 C ATOM 1123 O VAL A 70 2.613 -6.929 2.600 1.00 0.00 O ATOM 1124 CB VAL A 70 3.728 -7.106 5.736 1.00 0.00 C ATOM 1125 CG1 VAL A 70 2.887 -6.161 6.594 1.00 0.00 C ATOM 1126 CG2 VAL A 70 4.476 -8.085 6.644 1.00 0.00 C ATOM 0 H VAL A 70 4.540 -8.684 3.809 1.00 0.00 H new ATOM 0 HA VAL A 70 2.009 -8.346 5.360 1.00 0.00 H new ATOM 0 HB VAL A 70 4.445 -6.528 5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.538 -5.606 7.269 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.353 -5.463 5.950 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.169 -6.739 7.176 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.127 -7.530 7.320 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.758 -8.663 7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.077 -8.760 6.035 1.00 0.00 H new ATOM 1136 N ILE A 71 1.286 -6.110 4.146 1.00 0.00 N ATOM 1137 CA ILE A 71 0.675 -5.157 3.177 1.00 0.00 C ATOM 1138 C ILE A 71 0.312 -3.855 3.895 1.00 0.00 C ATOM 1139 O ILE A 71 0.026 -3.835 5.075 1.00 0.00 O ATOM 1140 CB ILE A 71 -0.580 -5.796 2.560 1.00 0.00 C ATOM 1141 CG1 ILE A 71 -1.569 -4.720 2.086 1.00 0.00 C ATOM 1142 CG2 ILE A 71 -1.264 -6.685 3.600 1.00 0.00 C ATOM 1143 CD1 ILE A 71 -0.978 -3.974 0.891 1.00 0.00 C ATOM 0 H ILE A 71 0.918 -6.061 5.096 1.00 0.00 H new ATOM 0 HA ILE A 71 1.387 -4.931 2.383 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.274 -6.391 1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.517 -5.180 1.808 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.779 -4.022 2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.154 -7.138 3.163 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.576 -7.469 3.917 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.550 -6.082 4.462 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.680 -3.211 0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.041 -3.501 1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.791 -4.677 0.079 1.00 0.00 H new ATOM 1155 N THR A 72 0.313 -2.772 3.172 1.00 0.00 N ATOM 1156 CA THR A 72 -0.043 -1.458 3.777 1.00 0.00 C ATOM 1157 C THR A 72 -0.313 -0.454 2.661 1.00 0.00 C ATOM 1158 O THR A 72 0.211 -0.571 1.571 1.00 0.00 O ATOM 1159 CB THR A 72 1.094 -0.963 4.672 1.00 0.00 C ATOM 1160 OG1 THR A 72 1.978 -2.040 4.955 1.00 0.00 O ATOM 1161 CG2 THR A 72 0.507 -0.428 5.978 1.00 0.00 C ATOM 0 H THR A 72 0.547 -2.739 2.180 1.00 0.00 H new ATOM 0 HA THR A 72 -0.937 -1.569 4.390 1.00 0.00 H new ATOM 0 HB THR A 72 1.643 -0.170 4.164 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.425 -1.880 5.813 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.313 -0.073 6.621 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.173 0.396 5.761 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.038 -1.224 6.485 1.00 0.00 H new ATOM 1169 N ILE A 73 -1.141 0.525 2.905 1.00 0.00 N ATOM 1170 CA ILE A 73 -1.437 1.505 1.830 1.00 0.00 C ATOM 1171 C ILE A 73 -1.873 2.850 2.413 1.00 0.00 C ATOM 1172 O ILE A 73 -2.438 2.939 3.484 1.00 0.00 O ATOM 1173 CB ILE A 73 -2.542 0.945 0.926 1.00 0.00 C ATOM 1174 CG1 ILE A 73 -3.178 2.078 0.098 1.00 0.00 C ATOM 1175 CG2 ILE A 73 -3.611 0.257 1.784 1.00 0.00 C ATOM 1176 CD1 ILE A 73 -4.235 2.816 0.927 1.00 0.00 C ATOM 0 H ILE A 73 -1.619 0.685 3.792 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.529 1.669 1.249 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.107 0.216 0.242 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.407 2.777 -0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.634 1.667 -0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.395 -0.140 1.139 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.157 -0.558 2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.042 0.980 2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.675 3.614 0.328 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.014 2.116 1.229 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.768 3.244 1.814 1.00 0.00 H new ATOM 1188 N GLY A 74 -1.611 3.883 1.670 1.00 0.00 N ATOM 1189 CA GLY A 74 -1.976 5.262 2.057 1.00 0.00 C ATOM 1190 C GLY A 74 -1.584 5.543 3.497 1.00 0.00 C ATOM 1191 O GLY A 74 -0.541 6.088 3.790 1.00 0.00 O ATOM 0 H GLY A 74 -1.137 3.820 0.769 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.480 5.973 1.396 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -3.049 5.407 1.933 1.00 0.00 H new ATOM 1195 N GLY A 75 -2.439 5.181 4.384 1.00 0.00 N ATOM 1196 CA GLY A 75 -2.177 5.414 5.833 1.00 0.00 C ATOM 1197 C GLY A 75 -3.432 5.090 6.650 1.00 0.00 C ATOM 1198 O GLY A 75 -3.368 4.397 7.646 1.00 0.00 O ATOM 0 H GLY A 75 -3.327 4.725 4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.346 4.792 6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.884 6.451 5.996 1.00 0.00 H new ATOM 1202 N ASN A 76 -4.574 5.581 6.244 1.00 0.00 N ATOM 1203 CA ASN A 76 -5.817 5.289 7.013 1.00 0.00 C ATOM 1204 C ASN A 76 -6.808 4.571 6.100 1.00 0.00 C ATOM 1205 O ASN A 76 -6.431 3.741 5.298 1.00 0.00 O ATOM 1206 CB ASN A 76 -6.421 6.601 7.522 1.00 0.00 C ATOM 1207 CG ASN A 76 -7.067 6.365 8.889 1.00 0.00 C ATOM 1208 OD1 ASN A 76 -6.685 5.464 9.608 1.00 0.00 O ATOM 1209 ND2 ASN A 76 -8.038 7.144 9.280 1.00 0.00 N ATOM 0 H ASN A 76 -4.698 6.167 5.419 1.00 0.00 H new ATOM 0 HA ASN A 76 -5.588 4.652 7.868 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -5.647 7.365 7.600 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -7.164 6.971 6.815 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -8.476 6.996 10.189 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -8.359 7.901 8.676 1.00 0.00 H new ATOM 1216 N VAL A 77 -8.070 4.870 6.212 1.00 0.00 N ATOM 1217 CA VAL A 77 -9.060 4.192 5.337 1.00 0.00 C ATOM 1218 C VAL A 77 -10.473 4.680 5.663 1.00 0.00 C ATOM 1219 O VAL A 77 -11.102 4.212 6.592 1.00 0.00 O ATOM 1220 CB VAL A 77 -8.972 2.685 5.566 1.00 0.00 C ATOM 1221 CG1 VAL A 77 -9.056 2.397 7.065 1.00 0.00 C ATOM 1222 CG2 VAL A 77 -10.128 1.989 4.846 1.00 0.00 C ATOM 0 H VAL A 77 -8.456 5.550 6.867 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.842 4.424 4.294 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.026 2.311 5.174 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -8.994 1.322 7.233 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.232 2.893 7.578 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -10.003 2.771 7.455 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -10.064 0.913 5.010 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.076 2.360 5.236 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.069 2.197 3.778 1.00 0.00 H new ATOM 1232 N ASP A 78 -10.985 5.606 4.899 1.00 0.00 N ATOM 1233 CA ASP A 78 -12.364 6.108 5.162 1.00 0.00 C ATOM 1234 C ASP A 78 -13.329 5.436 4.186 1.00 0.00 C ATOM 1235 O ASP A 78 -13.101 5.411 2.994 1.00 0.00 O ATOM 1236 CB ASP A 78 -12.436 7.631 4.971 1.00 0.00 C ATOM 1237 CG ASP A 78 -11.043 8.205 4.697 1.00 0.00 C ATOM 1238 OD1 ASP A 78 -10.194 8.087 5.564 1.00 0.00 O ATOM 1239 OD2 ASP A 78 -10.851 8.754 3.624 1.00 0.00 O ATOM 0 H ASP A 78 -10.509 6.036 4.106 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.634 5.873 6.191 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.103 7.868 4.142 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.858 8.095 5.862 1.00 0.00 H new ATOM 1244 N GLU A 79 -14.403 4.888 4.679 1.00 0.00 N ATOM 1245 CA GLU A 79 -15.376 4.217 3.772 1.00 0.00 C ATOM 1246 C GLU A 79 -16.768 4.809 3.990 1.00 0.00 C ATOM 1247 O GLU A 79 -17.169 5.082 5.104 1.00 0.00 O ATOM 1248 CB GLU A 79 -15.406 2.717 4.074 1.00 0.00 C ATOM 1249 CG GLU A 79 -15.486 2.500 5.587 1.00 0.00 C ATOM 1250 CD GLU A 79 -16.073 1.117 5.874 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -16.097 0.304 4.963 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -16.489 0.893 6.999 1.00 0.00 O ATOM 0 H GLU A 79 -14.650 4.875 5.669 1.00 0.00 H new ATOM 0 HA GLU A 79 -15.073 4.372 2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -16.263 2.254 3.584 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.513 2.237 3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -14.494 2.585 6.030 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -16.106 3.272 6.043 1.00 0.00 H new ATOM 1259 N ASP A 80 -17.510 5.009 2.936 1.00 0.00 N ATOM 1260 CA ASP A 80 -18.876 5.584 3.090 1.00 0.00 C ATOM 1261 C ASP A 80 -19.913 4.457 3.085 1.00 0.00 C ATOM 1262 O ASP A 80 -20.172 3.838 4.098 1.00 0.00 O ATOM 1263 CB ASP A 80 -19.157 6.551 1.938 1.00 0.00 C ATOM 1264 CG ASP A 80 -18.660 7.948 2.313 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -17.479 8.201 2.143 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -19.469 8.742 2.764 1.00 0.00 O ATOM 0 H ASP A 80 -17.231 4.800 1.978 1.00 0.00 H new ATOM 0 HA ASP A 80 -18.938 6.123 4.036 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -18.659 6.208 1.031 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -20.226 6.579 1.724 1.00 0.00 H new ATOM 1271 N ASP A 81 -20.511 4.183 1.957 1.00 0.00 N ATOM 1272 CA ASP A 81 -21.528 3.097 1.898 1.00 0.00 C ATOM 1273 C ASP A 81 -20.917 1.866 1.229 1.00 0.00 C ATOM 1274 O ASP A 81 -20.818 0.808 1.820 1.00 0.00 O ATOM 1275 CB ASP A 81 -22.732 3.573 1.085 1.00 0.00 C ATOM 1276 CG ASP A 81 -23.971 2.772 1.488 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -24.369 2.872 2.637 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -24.501 2.072 0.641 1.00 0.00 O ATOM 0 H ASP A 81 -20.338 4.665 1.075 1.00 0.00 H new ATOM 0 HA ASP A 81 -21.849 2.841 2.908 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -22.902 4.636 1.256 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -22.537 3.449 0.020 1.00 0.00 H new ATOM 1283 N ASP A 82 -20.501 1.998 0.002 1.00 0.00 N ATOM 1284 CA ASP A 82 -19.890 0.840 -0.707 1.00 0.00 C ATOM 1285 C ASP A 82 -18.540 1.265 -1.283 1.00 0.00 C ATOM 1286 O ASP A 82 -17.625 0.475 -1.400 1.00 0.00 O ATOM 1287 CB ASP A 82 -20.815 0.390 -1.840 1.00 0.00 C ATOM 1288 CG ASP A 82 -20.806 -1.137 -1.932 1.00 0.00 C ATOM 1289 OD1 ASP A 82 -20.068 -1.753 -1.182 1.00 0.00 O ATOM 1290 OD2 ASP A 82 -21.539 -1.665 -2.752 1.00 0.00 O ATOM 0 H ASP A 82 -20.558 2.859 -0.542 1.00 0.00 H new ATOM 0 HA ASP A 82 -19.747 0.013 -0.011 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -21.829 0.748 -1.660 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -20.487 0.824 -2.785 1.00 0.00 H new ATOM 1295 N ARG A 83 -18.409 2.513 -1.639 1.00 0.00 N ATOM 1296 CA ARG A 83 -17.122 2.998 -2.201 1.00 0.00 C ATOM 1297 C ARG A 83 -16.060 2.987 -1.103 1.00 0.00 C ATOM 1298 O ARG A 83 -16.357 2.825 0.063 1.00 0.00 O ATOM 1299 CB ARG A 83 -17.311 4.422 -2.726 1.00 0.00 C ATOM 1300 CG ARG A 83 -15.966 5.006 -3.148 1.00 0.00 C ATOM 1301 CD ARG A 83 -16.197 6.264 -3.988 1.00 0.00 C ATOM 1302 NE ARG A 83 -16.687 7.364 -3.111 1.00 0.00 N ATOM 1303 CZ ARG A 83 -16.681 8.599 -3.539 1.00 0.00 C ATOM 1304 NH1 ARG A 83 -16.258 8.876 -4.744 1.00 0.00 N ATOM 1305 NH2 ARG A 83 -17.102 9.558 -2.761 1.00 0.00 N ATOM 0 H ARG A 83 -19.142 3.219 -1.564 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.803 2.351 -3.018 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -17.997 4.418 -3.573 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -17.762 5.046 -1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -15.370 5.248 -2.268 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -15.402 4.271 -3.722 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.270 6.561 -4.479 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.924 6.061 -4.775 1.00 0.00 H new ATOM 0 HE ARG A 83 -17.028 7.153 -2.173 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -15.931 8.127 -5.354 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -16.255 9.841 -5.074 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -17.435 9.343 -1.821 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -17.098 10.523 -3.093 1.00 0.00 H new ATOM 1319 N PHE A 84 -14.824 3.155 -1.468 1.00 0.00 N ATOM 1320 CA PHE A 84 -13.739 3.152 -0.448 1.00 0.00 C ATOM 1321 C PHE A 84 -12.697 4.207 -0.829 1.00 0.00 C ATOM 1322 O PHE A 84 -12.203 4.228 -1.937 1.00 0.00 O ATOM 1323 CB PHE A 84 -13.096 1.759 -0.405 1.00 0.00 C ATOM 1324 CG PHE A 84 -11.719 1.832 0.217 1.00 0.00 C ATOM 1325 CD1 PHE A 84 -11.458 2.748 1.243 1.00 0.00 C ATOM 1326 CD2 PHE A 84 -10.703 0.983 -0.237 1.00 0.00 C ATOM 1327 CE1 PHE A 84 -10.182 2.814 1.816 1.00 0.00 C ATOM 1328 CE2 PHE A 84 -9.427 1.048 0.336 1.00 0.00 C ATOM 1329 CZ PHE A 84 -9.166 1.964 1.362 1.00 0.00 C ATOM 0 H PHE A 84 -14.515 3.295 -2.430 1.00 0.00 H new ATOM 0 HA PHE A 84 -14.142 3.387 0.537 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -13.725 1.079 0.169 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -13.025 1.353 -1.414 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -12.241 3.404 1.593 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -10.903 0.277 -1.030 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -9.981 3.520 2.608 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -8.644 0.391 -0.014 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.182 2.015 1.803 1.00 0.00 H new ATOM 1339 N VAL A 85 -12.369 5.090 0.075 1.00 0.00 N ATOM 1340 CA VAL A 85 -11.371 6.149 -0.249 1.00 0.00 C ATOM 1341 C VAL A 85 -10.418 6.359 0.934 1.00 0.00 C ATOM 1342 O VAL A 85 -10.779 6.171 2.078 1.00 0.00 O ATOM 1343 CB VAL A 85 -12.112 7.455 -0.538 1.00 0.00 C ATOM 1344 CG1 VAL A 85 -13.064 7.768 0.618 1.00 0.00 C ATOM 1345 CG2 VAL A 85 -11.103 8.593 -0.683 1.00 0.00 C ATOM 0 H VAL A 85 -12.748 5.124 1.021 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.791 5.843 -1.120 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.681 7.351 -1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.592 8.699 0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.785 6.958 0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.494 7.871 1.541 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.631 9.524 -0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.535 8.695 0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -10.422 8.373 -1.505 1.00 0.00 H new ATOM 1355 N LEU A 86 -9.204 6.763 0.660 1.00 0.00 N ATOM 1356 CA LEU A 86 -8.222 7.007 1.758 1.00 0.00 C ATOM 1357 C LEU A 86 -7.153 7.969 1.249 1.00 0.00 C ATOM 1358 O LEU A 86 -6.652 7.825 0.155 1.00 0.00 O ATOM 1359 CB LEU A 86 -7.570 5.674 2.149 1.00 0.00 C ATOM 1360 CG LEU A 86 -6.416 5.884 3.147 1.00 0.00 C ATOM 1361 CD1 LEU A 86 -5.136 6.279 2.410 1.00 0.00 C ATOM 1362 CD2 LEU A 86 -6.765 6.976 4.162 1.00 0.00 C ATOM 0 H LEU A 86 -8.850 6.935 -0.281 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.721 7.435 2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.319 5.016 2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.194 5.175 1.256 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.258 4.943 3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.331 6.423 3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.860 5.489 1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.303 7.206 1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.935 7.106 4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.951 7.914 3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.658 6.686 4.715 1.00 0.00 H new ATOM 1374 N GLU A 87 -6.796 8.939 2.042 1.00 0.00 N ATOM 1375 CA GLU A 87 -5.752 9.913 1.631 1.00 0.00 C ATOM 1376 C GLU A 87 -4.614 9.874 2.644 1.00 0.00 C ATOM 1377 O GLU A 87 -4.381 8.875 3.294 1.00 0.00 O ATOM 1378 CB GLU A 87 -6.340 11.319 1.626 1.00 0.00 C ATOM 1379 CG GLU A 87 -7.829 11.263 1.275 1.00 0.00 C ATOM 1380 CD GLU A 87 -8.661 11.344 2.556 1.00 0.00 C ATOM 1381 OE1 GLU A 87 -8.079 11.254 3.624 1.00 0.00 O ATOM 1382 OE2 GLU A 87 -9.867 11.497 2.448 1.00 0.00 O ATOM 0 H GLU A 87 -7.189 9.099 2.969 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.389 9.657 0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.206 11.782 2.604 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.811 11.941 0.904 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.087 12.086 0.609 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.053 10.339 0.742 1.00 0.00 H new ATOM 1389 N TRP A 88 -3.917 10.963 2.805 1.00 0.00 N ATOM 1390 CA TRP A 88 -2.819 10.977 3.802 1.00 0.00 C ATOM 1391 C TRP A 88 -3.378 10.451 5.127 1.00 0.00 C ATOM 1392 O TRP A 88 -3.169 9.311 5.493 1.00 0.00 O ATOM 1393 CB TRP A 88 -2.296 12.414 3.974 1.00 0.00 C ATOM 1394 CG TRP A 88 -1.597 12.565 5.297 1.00 0.00 C ATOM 1395 CD1 TRP A 88 -1.000 11.562 5.986 1.00 0.00 C ATOM 1396 CD2 TRP A 88 -1.413 13.772 6.097 1.00 0.00 C ATOM 1397 NE1 TRP A 88 -0.460 12.077 7.151 1.00 0.00 N ATOM 1398 CE2 TRP A 88 -0.688 13.434 7.265 1.00 0.00 C ATOM 1399 CE3 TRP A 88 -1.800 15.114 5.923 1.00 0.00 C ATOM 1400 CZ2 TRP A 88 -0.358 14.393 8.224 1.00 0.00 C ATOM 1401 CZ3 TRP A 88 -1.470 16.081 6.887 1.00 0.00 C ATOM 1402 CH2 TRP A 88 -0.750 15.721 8.035 1.00 0.00 C ATOM 0 H TRP A 88 -4.060 11.834 2.294 1.00 0.00 H new ATOM 0 HA TRP A 88 -1.991 10.349 3.472 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -1.609 12.657 3.163 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.125 13.119 3.911 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -0.953 10.529 5.676 1.00 0.00 H new ATOM 0 HE1 TRP A 88 0.045 11.522 7.842 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -2.355 15.402 5.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 0.197 14.111 9.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -1.773 17.108 6.743 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -0.499 16.469 8.772 1.00 0.00 H new ATOM 1413 N LYS A 89 -4.091 11.273 5.845 1.00 0.00 N ATOM 1414 CA LYS A 89 -4.669 10.823 7.141 1.00 0.00 C ATOM 1415 C LYS A 89 -3.545 10.370 8.074 1.00 0.00 C ATOM 1416 O LYS A 89 -2.887 9.378 7.833 1.00 0.00 O ATOM 1417 CB LYS A 89 -5.625 9.656 6.890 1.00 0.00 C ATOM 1418 CG LYS A 89 -6.906 10.179 6.238 1.00 0.00 C ATOM 1419 CD LYS A 89 -7.543 11.232 7.146 1.00 0.00 C ATOM 1420 CE LYS A 89 -9.024 11.379 6.798 1.00 0.00 C ATOM 1421 NZ LYS A 89 -9.304 12.789 6.405 1.00 0.00 N ATOM 0 H LYS A 89 -4.299 12.238 5.590 1.00 0.00 H new ATOM 0 HA LYS A 89 -5.212 11.648 7.604 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.151 8.916 6.245 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.860 9.156 7.829 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.681 10.611 5.263 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.603 9.358 6.069 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.431 10.942 8.191 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.034 12.188 7.025 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.286 10.704 5.983 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.639 11.100 7.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.312 12.890 6.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.069 13.423 7.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.727 13.040 5.577 1.00 0.00 H new ATOM 1435 N ASN A 90 -3.321 11.087 9.140 1.00 0.00 N ATOM 1436 CA ASN A 90 -2.241 10.692 10.088 1.00 0.00 C ATOM 1437 C ASN A 90 -2.844 9.888 11.242 1.00 0.00 C ATOM 1438 O ASN A 90 -3.941 10.220 11.660 1.00 0.00 O ATOM 1439 CB ASN A 90 -1.564 11.948 10.641 1.00 0.00 C ATOM 1440 CG ASN A 90 -0.613 11.557 11.773 1.00 0.00 C ATOM 1441 OD1 ASN A 90 -1.025 10.962 12.749 1.00 0.00 O ATOM 1442 ND2 ASN A 90 0.651 11.867 11.684 1.00 0.00 N ATOM 1443 OXT ASN A 90 -2.200 8.951 11.685 1.00 0.00 O ATOM 0 H ASN A 90 -3.838 11.928 9.396 1.00 0.00 H new ATOM 0 HA ASN A 90 -1.504 10.082 9.566 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -1.014 12.457 9.849 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.315 12.648 11.008 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.293 11.610 12.434 1.00 0.00 H new ATOM 0 HD22 ASN A 90 0.997 12.366 10.865 1.00 0.00 H new TER 1450 ASN A 90