USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 590 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 52 LYS NZ :NH3+ -140:sc= 0.674 (180deg=0) USER MOD Set 1.2: A 56 THR OG1 : rot 80:sc= 1.24 USER MOD Single : A 24 THR OG1 : rot 26:sc= 0.0773 USER MOD Single : A 33 ASN : amide:sc= 0.659 K(o=0.66,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.45 X(o=-0.45,f=-0.0079) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 156:sc= 0.591 (180deg=0.08) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.283 X(o=-0.28,f=0) USER MOD Single : A 57 GLN : amide:sc= -0.51 X(o=-0.51,f=-0.13) USER MOD Single : A 58 SER OG : rot 63:sc= 0.297 USER MOD Single : A 60 THR OG1 : rot 96:sc= 0.0179 USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 63 SER OG : rot 169:sc= 0.363 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 86 THR OG1 : rot 76:sc= -0.591 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 162:sc= -2.05 (180deg=-2.84) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 CYS SG : rot 39:sc= -0.7 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.592 USER MOD Single : A 103 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.0028) USER MOD ----------------------------------------------------------------- ATOM 54 N THR A 24 1.546 -9.698 0.057 1.00 0.00 N ATOM 55 CA THR A 24 1.680 -10.962 0.790 1.00 0.00 C ATOM 56 C THR A 24 1.547 -12.151 -0.182 1.00 0.00 C ATOM 57 O THR A 24 0.460 -12.401 -0.725 1.00 0.00 O ATOM 58 CB THR A 24 0.606 -11.072 1.928 1.00 0.00 C ATOM 59 OG1 THR A 24 0.727 -9.948 2.818 1.00 0.00 O ATOM 60 CG2 THR A 24 0.735 -12.377 2.742 1.00 0.00 C ATOM 0 HA THR A 24 2.667 -10.985 1.253 1.00 0.00 H new ATOM 0 HB THR A 24 -0.372 -11.079 1.446 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.118 -9.190 2.336 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.032 -12.401 3.516 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.609 -13.233 2.079 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.720 -12.420 3.207 1.00 0.00 H new ATOM 68 N LEU A 25 2.666 -12.854 -0.420 1.00 0.00 N ATOM 69 CA LEU A 25 2.687 -14.044 -1.272 1.00 0.00 C ATOM 70 C LEU A 25 2.173 -15.238 -0.460 1.00 0.00 C ATOM 71 O LEU A 25 2.889 -15.802 0.377 1.00 0.00 O ATOM 72 CB LEU A 25 4.114 -14.289 -1.832 1.00 0.00 C ATOM 73 CG LEU A 25 4.684 -13.148 -2.747 1.00 0.00 C ATOM 74 CD1 LEU A 25 6.112 -13.477 -3.238 1.00 0.00 C ATOM 75 CD2 LEU A 25 3.732 -12.843 -3.942 1.00 0.00 C ATOM 0 H LEU A 25 3.575 -12.611 -0.027 1.00 0.00 H new ATOM 0 HA LEU A 25 2.034 -13.902 -2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.795 -14.433 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.108 -15.219 -2.401 1.00 0.00 H new ATOM 0 HG LEU A 25 4.745 -12.246 -2.138 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.476 -12.666 -3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.774 -13.594 -2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.095 -14.403 -3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.159 -12.048 -4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.609 -13.741 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.761 -12.526 -3.562 1.00 0.00 H new ATOM 87 N VAL A 26 0.901 -15.579 -0.700 1.00 0.00 N ATOM 88 CA VAL A 26 0.211 -16.680 -0.028 1.00 0.00 C ATOM 89 C VAL A 26 0.338 -17.916 -0.918 1.00 0.00 C ATOM 90 O VAL A 26 -0.133 -17.909 -2.060 1.00 0.00 O ATOM 91 CB VAL A 26 -1.310 -16.343 0.216 1.00 0.00 C ATOM 92 CG1 VAL A 26 -2.048 -17.499 0.945 1.00 0.00 C ATOM 93 CG2 VAL A 26 -1.482 -14.997 0.971 1.00 0.00 C ATOM 0 H VAL A 26 0.316 -15.089 -1.377 1.00 0.00 H new ATOM 0 HA VAL A 26 0.662 -16.854 0.949 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.773 -16.231 -0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.093 -17.227 1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.991 -18.405 0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.578 -17.678 1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.543 -14.797 1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.983 -15.056 1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.041 -14.192 0.384 1.00 0.00 H new ATOM 103 N ARG A 27 1.010 -18.947 -0.403 1.00 0.00 N ATOM 104 CA ARG A 27 1.238 -20.203 -1.131 1.00 0.00 C ATOM 105 C ARG A 27 0.180 -21.249 -0.759 1.00 0.00 C ATOM 106 O ARG A 27 -0.629 -21.025 0.152 1.00 0.00 O ATOM 107 CB ARG A 27 2.680 -20.717 -0.882 1.00 0.00 C ATOM 108 CG ARG A 27 3.772 -19.788 -1.461 1.00 0.00 C ATOM 109 CD ARG A 27 5.195 -20.347 -1.316 1.00 0.00 C ATOM 110 NE ARG A 27 5.672 -20.355 0.080 1.00 0.00 N ATOM 111 CZ ARG A 27 6.962 -20.345 0.454 1.00 0.00 C ATOM 112 NH1 ARG A 27 7.937 -20.357 -0.450 1.00 0.00 N ATOM 113 NH2 ARG A 27 7.264 -20.336 1.740 1.00 0.00 N ATOM 0 H ARG A 27 1.414 -18.937 0.534 1.00 0.00 H new ATOM 0 HA ARG A 27 1.137 -20.014 -2.200 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.838 -20.827 0.191 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.786 -21.708 -1.323 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.565 -19.612 -2.517 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.718 -18.821 -0.960 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.222 -21.363 -1.709 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.877 -19.752 -1.924 1.00 0.00 H new ATOM 0 HE ARG A 27 4.968 -20.369 0.818 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.710 -20.374 -1.444 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.912 -20.349 -0.149 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.521 -20.337 2.438 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.241 -20.328 2.034 1.00 0.00 H new ATOM 127 N ILE A 28 0.203 -22.392 -1.478 1.00 0.00 N ATOM 128 CA ILE A 28 -0.813 -23.455 -1.344 1.00 0.00 C ATOM 129 C ILE A 28 -0.847 -24.026 0.090 1.00 0.00 C ATOM 130 O ILE A 28 -1.929 -24.293 0.613 1.00 0.00 O ATOM 131 CB ILE A 28 -0.613 -24.601 -2.413 1.00 0.00 C ATOM 132 CG1 ILE A 28 -1.841 -25.586 -2.421 1.00 0.00 C ATOM 133 CG2 ILE A 28 0.726 -25.362 -2.209 1.00 0.00 C ATOM 134 CD1 ILE A 28 -1.850 -26.591 -3.564 1.00 0.00 C ATOM 0 H ILE A 28 0.926 -22.602 -2.166 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.782 -22.996 -1.541 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.558 -24.125 -3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.857 -26.131 -1.477 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.758 -24.999 -2.466 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.821 -26.140 -2.966 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.558 -24.664 -2.299 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.739 -25.816 -1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.733 -27.225 -3.484 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.869 -26.060 -4.516 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.954 -27.209 -3.512 1.00 0.00 H new ATOM 146 N ALA A 29 0.350 -24.132 0.723 1.00 0.00 N ATOM 147 CA ALA A 29 0.515 -24.626 2.113 1.00 0.00 C ATOM 148 C ALA A 29 -0.364 -23.829 3.080 1.00 0.00 C ATOM 149 O ALA A 29 -1.065 -24.401 3.923 1.00 0.00 O ATOM 150 CB ALA A 29 1.993 -24.528 2.547 1.00 0.00 C ATOM 0 H ALA A 29 1.232 -23.875 0.280 1.00 0.00 H new ATOM 0 HA ALA A 29 0.205 -25.671 2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.097 -24.894 3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.609 -25.132 1.880 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.318 -23.489 2.499 1.00 0.00 H new ATOM 156 N ASP A 30 -0.337 -22.496 2.909 1.00 0.00 N ATOM 157 CA ASP A 30 -1.088 -21.556 3.752 1.00 0.00 C ATOM 158 C ASP A 30 -2.602 -21.801 3.597 1.00 0.00 C ATOM 159 O ASP A 30 -3.327 -21.877 4.591 1.00 0.00 O ATOM 160 CB ASP A 30 -0.734 -20.093 3.371 1.00 0.00 C ATOM 161 CG ASP A 30 -1.221 -19.066 4.411 1.00 0.00 C ATOM 162 OD1 ASP A 30 -2.405 -18.671 4.389 1.00 0.00 O ATOM 163 OD2 ASP A 30 -0.418 -18.655 5.271 1.00 0.00 O ATOM 0 H ASP A 30 0.210 -22.041 2.178 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.813 -21.719 4.794 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.347 -20.004 3.259 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.176 -19.859 2.402 1.00 0.00 H new ATOM 168 N LEU A 31 -3.039 -21.967 2.328 1.00 0.00 N ATOM 169 CA LEU A 31 -4.457 -22.198 1.967 1.00 0.00 C ATOM 170 C LEU A 31 -5.023 -23.470 2.634 1.00 0.00 C ATOM 171 O LEU A 31 -6.157 -23.455 3.122 1.00 0.00 O ATOM 172 CB LEU A 31 -4.634 -22.315 0.422 1.00 0.00 C ATOM 173 CG LEU A 31 -4.286 -21.048 -0.427 1.00 0.00 C ATOM 174 CD1 LEU A 31 -4.540 -21.309 -1.931 1.00 0.00 C ATOM 175 CD2 LEU A 31 -5.068 -19.808 0.068 1.00 0.00 C ATOM 0 H LEU A 31 -2.415 -21.944 1.521 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.012 -21.334 2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.014 -23.140 0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.670 -22.586 0.219 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.225 -20.837 -0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.291 -20.415 -2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.918 -22.139 -2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.590 -21.558 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.804 -18.944 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.138 -19.997 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.813 -19.609 1.109 1.00 0.00 H new ATOM 187 N GLU A 32 -4.222 -24.562 2.638 1.00 0.00 N ATOM 188 CA GLU A 32 -4.670 -25.889 3.128 1.00 0.00 C ATOM 189 C GLU A 32 -5.012 -25.841 4.628 1.00 0.00 C ATOM 190 O GLU A 32 -6.100 -26.256 5.045 1.00 0.00 O ATOM 191 CB GLU A 32 -3.588 -26.987 2.868 1.00 0.00 C ATOM 192 CG GLU A 32 -3.068 -27.081 1.415 1.00 0.00 C ATOM 193 CD GLU A 32 -4.178 -27.197 0.354 1.00 0.00 C ATOM 194 OE1 GLU A 32 -4.653 -28.325 0.092 1.00 0.00 O ATOM 195 OE2 GLU A 32 -4.595 -26.156 -0.221 1.00 0.00 O ATOM 0 H GLU A 32 -3.258 -24.550 2.306 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.570 -26.149 2.571 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.740 -26.800 3.527 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.003 -27.955 3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.465 -26.199 1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.409 -27.946 1.332 1.00 0.00 H new ATOM 202 N ASN A 33 -4.075 -25.296 5.424 1.00 0.00 N ATOM 203 CA ASN A 33 -4.218 -25.211 6.897 1.00 0.00 C ATOM 204 C ASN A 33 -5.271 -24.160 7.305 1.00 0.00 C ATOM 205 O ASN A 33 -5.999 -24.349 8.292 1.00 0.00 O ATOM 206 CB ASN A 33 -2.854 -24.904 7.566 1.00 0.00 C ATOM 207 CG ASN A 33 -1.818 -26.013 7.337 1.00 0.00 C ATOM 208 OD1 ASN A 33 -1.788 -27.007 8.051 1.00 0.00 O ATOM 209 ND2 ASN A 33 -0.943 -25.838 6.360 1.00 0.00 N ATOM 0 H ASN A 33 -3.202 -24.903 5.072 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.565 -26.182 7.249 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.466 -23.964 7.175 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.002 -24.767 8.637 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.223 -26.540 6.188 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.988 -25.001 5.778 1.00 0.00 H new ATOM 216 N HIS A 34 -5.364 -23.072 6.516 1.00 0.00 N ATOM 217 CA HIS A 34 -6.284 -21.948 6.803 1.00 0.00 C ATOM 218 C HIS A 34 -7.746 -22.365 6.532 1.00 0.00 C ATOM 219 O HIS A 34 -8.667 -21.938 7.234 1.00 0.00 O ATOM 220 CB HIS A 34 -5.897 -20.693 5.967 1.00 0.00 C ATOM 221 CG HIS A 34 -6.401 -19.400 6.554 1.00 0.00 C ATOM 222 ND1 HIS A 34 -5.605 -18.597 7.334 1.00 0.00 N ATOM 223 CD2 HIS A 34 -7.614 -18.802 6.520 1.00 0.00 C ATOM 224 CE1 HIS A 34 -6.299 -17.568 7.757 1.00 0.00 C ATOM 225 NE2 HIS A 34 -7.522 -17.662 7.279 1.00 0.00 N ATOM 0 H HIS A 34 -4.810 -22.945 5.669 1.00 0.00 H new ATOM 0 HA HIS A 34 -6.195 -21.688 7.858 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.812 -20.645 5.881 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.293 -20.803 4.957 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.489 -19.155 5.995 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.929 -16.776 8.391 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -8.277 -16.997 7.445 1.00 0.00 H new ATOM 234 N ASN A 35 -7.924 -23.211 5.497 1.00 0.00 N ATOM 235 CA ASN A 35 -9.234 -23.771 5.106 1.00 0.00 C ATOM 236 C ASN A 35 -9.763 -24.715 6.202 1.00 0.00 C ATOM 237 O ASN A 35 -10.960 -24.714 6.504 1.00 0.00 O ATOM 238 CB ASN A 35 -9.107 -24.522 3.754 1.00 0.00 C ATOM 239 CG ASN A 35 -10.434 -25.085 3.225 1.00 0.00 C ATOM 240 OD1 ASN A 35 -11.156 -24.417 2.488 1.00 0.00 O ATOM 241 ND2 ASN A 35 -10.763 -26.321 3.589 1.00 0.00 N ATOM 0 H ASN A 35 -7.157 -23.527 4.904 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.946 -22.954 4.986 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.690 -23.843 3.010 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.397 -25.341 3.870 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.633 -26.736 3.255 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.146 -26.854 4.202 1.00 0.00 H new ATOM 248 N ASN A 36 -8.840 -25.503 6.799 1.00 0.00 N ATOM 249 CA ASN A 36 -9.156 -26.466 7.881 1.00 0.00 C ATOM 250 C ASN A 36 -9.721 -25.750 9.131 1.00 0.00 C ATOM 251 O ASN A 36 -10.559 -26.308 9.851 1.00 0.00 O ATOM 252 CB ASN A 36 -7.891 -27.294 8.242 1.00 0.00 C ATOM 253 CG ASN A 36 -8.067 -28.198 9.472 1.00 0.00 C ATOM 254 OD1 ASN A 36 -7.684 -27.837 10.585 1.00 0.00 O ATOM 255 ND2 ASN A 36 -8.678 -29.358 9.293 1.00 0.00 N ATOM 0 H ASN A 36 -7.852 -25.490 6.544 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.929 -27.143 7.518 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.617 -27.911 7.386 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.061 -26.611 8.422 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.841 -29.976 10.088 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.986 -29.634 8.360 1.00 0.00 H new ATOM 262 N ASP A 37 -9.254 -24.514 9.372 1.00 0.00 N ATOM 263 CA ASP A 37 -9.752 -23.668 10.479 1.00 0.00 C ATOM 264 C ASP A 37 -11.232 -23.270 10.253 1.00 0.00 C ATOM 265 O ASP A 37 -12.015 -23.161 11.205 1.00 0.00 O ATOM 266 CB ASP A 37 -8.860 -22.406 10.594 1.00 0.00 C ATOM 267 CG ASP A 37 -9.365 -21.390 11.637 1.00 0.00 C ATOM 268 OD1 ASP A 37 -9.083 -21.571 12.841 1.00 0.00 O ATOM 269 OD2 ASP A 37 -10.056 -20.411 11.263 1.00 0.00 O ATOM 0 H ASP A 37 -8.526 -24.072 8.812 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.703 -24.235 11.409 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.846 -22.710 10.855 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.806 -21.919 9.620 1.00 0.00 H new ATOM 274 N GLY A 38 -11.595 -23.079 8.977 1.00 0.00 N ATOM 275 CA GLY A 38 -12.928 -22.616 8.583 1.00 0.00 C ATOM 276 C GLY A 38 -12.860 -21.361 7.735 1.00 0.00 C ATOM 277 O GLY A 38 -13.834 -21.021 7.053 1.00 0.00 O ATOM 0 H GLY A 38 -10.969 -23.242 8.189 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.437 -23.403 8.027 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.523 -22.420 9.475 1.00 0.00 H new ATOM 281 N GLY A 39 -11.703 -20.663 7.806 1.00 0.00 N ATOM 282 CA GLY A 39 -11.432 -19.495 6.967 1.00 0.00 C ATOM 283 C GLY A 39 -11.257 -19.893 5.504 1.00 0.00 C ATOM 284 O GLY A 39 -10.143 -20.212 5.065 1.00 0.00 O ATOM 0 H GLY A 39 -10.943 -20.899 8.444 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.251 -18.782 7.057 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.532 -18.992 7.320 1.00 0.00 H new ATOM 288 N PHE A 40 -12.382 -19.920 4.767 1.00 0.00 N ATOM 289 CA PHE A 40 -12.418 -20.378 3.372 1.00 0.00 C ATOM 290 C PHE A 40 -11.864 -19.274 2.452 1.00 0.00 C ATOM 291 O PHE A 40 -12.489 -18.214 2.283 1.00 0.00 O ATOM 292 CB PHE A 40 -13.872 -20.761 2.961 1.00 0.00 C ATOM 293 CG PHE A 40 -13.972 -21.447 1.590 1.00 0.00 C ATOM 294 CD1 PHE A 40 -13.705 -22.808 1.451 1.00 0.00 C ATOM 295 CD2 PHE A 40 -14.312 -20.730 0.443 1.00 0.00 C ATOM 296 CE1 PHE A 40 -13.792 -23.428 0.215 1.00 0.00 C ATOM 297 CE2 PHE A 40 -14.400 -21.352 -0.792 1.00 0.00 C ATOM 298 CZ PHE A 40 -14.132 -22.697 -0.906 1.00 0.00 C ATOM 0 H PHE A 40 -13.290 -19.624 5.125 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.795 -21.267 3.271 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -14.291 -21.423 3.719 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -14.485 -19.860 2.951 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -13.426 -23.387 2.319 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -14.510 -19.671 0.519 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -13.593 -24.486 0.128 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -14.679 -20.781 -1.665 1.00 0.00 H new ATOM 0 HZ PHE A 40 -14.188 -23.180 -1.870 1.00 0.00 H new ATOM 308 N TRP A 41 -10.665 -19.523 1.915 1.00 0.00 N ATOM 309 CA TRP A 41 -10.000 -18.652 0.934 1.00 0.00 C ATOM 310 C TRP A 41 -10.066 -19.290 -0.461 1.00 0.00 C ATOM 311 O TRP A 41 -10.380 -20.484 -0.601 1.00 0.00 O ATOM 312 CB TRP A 41 -8.520 -18.398 1.356 1.00 0.00 C ATOM 313 CG TRP A 41 -8.331 -17.458 2.540 1.00 0.00 C ATOM 314 CD1 TRP A 41 -9.299 -16.829 3.273 1.00 0.00 C ATOM 315 CD2 TRP A 41 -7.082 -17.042 3.107 1.00 0.00 C ATOM 316 NE1 TRP A 41 -8.729 -16.041 4.234 1.00 0.00 N ATOM 317 CE2 TRP A 41 -7.375 -16.164 4.164 1.00 0.00 C ATOM 318 CE3 TRP A 41 -5.744 -17.348 2.838 1.00 0.00 C ATOM 319 CZ2 TRP A 41 -6.380 -15.555 4.922 1.00 0.00 C ATOM 320 CZ3 TRP A 41 -4.761 -16.747 3.589 1.00 0.00 C ATOM 321 CH2 TRP A 41 -5.080 -15.874 4.634 1.00 0.00 C ATOM 0 H TRP A 41 -10.118 -20.350 2.153 1.00 0.00 H new ATOM 0 HA TRP A 41 -10.515 -17.692 0.901 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.059 -19.356 1.597 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -7.981 -17.991 0.501 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -10.362 -16.939 3.115 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -9.237 -15.455 4.897 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.487 -18.045 2.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.624 -14.856 5.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.724 -16.953 3.368 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.286 -15.443 5.225 1.00 0.00 H new ATOM 332 N THR A 42 -9.770 -18.478 -1.480 1.00 0.00 N ATOM 333 CA THR A 42 -9.722 -18.910 -2.885 1.00 0.00 C ATOM 334 C THR A 42 -8.580 -18.186 -3.615 1.00 0.00 C ATOM 335 O THR A 42 -8.110 -17.140 -3.155 1.00 0.00 O ATOM 336 CB THR A 42 -11.081 -18.624 -3.626 1.00 0.00 C ATOM 337 OG1 THR A 42 -11.076 -19.240 -4.925 1.00 0.00 O ATOM 338 CG2 THR A 42 -11.363 -17.112 -3.787 1.00 0.00 C ATOM 0 H THR A 42 -9.554 -17.489 -1.354 1.00 0.00 H new ATOM 0 HA THR A 42 -9.548 -19.986 -2.896 1.00 0.00 H new ATOM 0 HB THR A 42 -11.871 -19.048 -3.006 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.926 -19.058 -5.377 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.312 -16.972 -4.304 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.413 -16.645 -2.804 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.563 -16.652 -4.367 1.00 0.00 H new ATOM 346 N VAL A 43 -8.149 -18.753 -4.753 1.00 0.00 N ATOM 347 CA VAL A 43 -7.212 -18.102 -5.677 1.00 0.00 C ATOM 348 C VAL A 43 -7.924 -17.818 -7.016 1.00 0.00 C ATOM 349 O VAL A 43 -8.326 -18.746 -7.733 1.00 0.00 O ATOM 350 CB VAL A 43 -5.885 -18.932 -5.890 1.00 0.00 C ATOM 351 CG1 VAL A 43 -6.147 -20.449 -6.062 1.00 0.00 C ATOM 352 CG2 VAL A 43 -5.064 -18.360 -7.080 1.00 0.00 C ATOM 0 H VAL A 43 -8.443 -19.681 -5.058 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.900 -17.159 -5.228 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.294 -18.826 -4.980 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.199 -20.968 -6.205 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.642 -20.836 -5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.784 -20.612 -6.931 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.154 -18.946 -7.209 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.660 -18.410 -7.991 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.801 -17.322 -6.875 1.00 0.00 H new ATOM 362 N ILE A 44 -8.125 -16.518 -7.305 1.00 0.00 N ATOM 363 CA ILE A 44 -8.695 -16.015 -8.573 1.00 0.00 C ATOM 364 C ILE A 44 -7.829 -14.832 -9.044 1.00 0.00 C ATOM 365 O ILE A 44 -7.444 -13.995 -8.224 1.00 0.00 O ATOM 366 CB ILE A 44 -10.186 -15.528 -8.404 1.00 0.00 C ATOM 367 CG1 ILE A 44 -11.066 -16.641 -7.737 1.00 0.00 C ATOM 368 CG2 ILE A 44 -10.794 -15.079 -9.765 1.00 0.00 C ATOM 369 CD1 ILE A 44 -12.519 -16.278 -7.540 1.00 0.00 C ATOM 0 H ILE A 44 -7.891 -15.771 -6.651 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.698 -16.827 -9.300 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.178 -14.661 -7.744 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.012 -17.541 -8.350 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.635 -16.890 -6.767 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.822 -14.749 -9.613 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.206 -14.257 -10.173 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.781 -15.916 -10.463 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -13.042 -17.112 -7.073 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.591 -15.399 -6.899 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -12.974 -16.060 -8.506 1.00 0.00 H new ATOM 381 N ASP A 45 -7.526 -14.790 -10.361 1.00 0.00 N ATOM 382 CA ASP A 45 -6.693 -13.730 -10.999 1.00 0.00 C ATOM 383 C ASP A 45 -5.244 -13.750 -10.416 1.00 0.00 C ATOM 384 O ASP A 45 -4.517 -12.748 -10.432 1.00 0.00 O ATOM 385 CB ASP A 45 -7.410 -12.336 -10.840 1.00 0.00 C ATOM 386 CG ASP A 45 -6.737 -11.174 -11.586 1.00 0.00 C ATOM 387 OD1 ASP A 45 -6.767 -11.166 -12.835 1.00 0.00 O ATOM 388 OD2 ASP A 45 -6.177 -10.261 -10.935 1.00 0.00 O ATOM 0 H ASP A 45 -7.853 -15.495 -11.022 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.591 -13.921 -12.067 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.437 -12.429 -11.194 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.459 -12.088 -9.780 1.00 0.00 H new ATOM 393 N GLY A 46 -4.806 -14.959 -9.992 1.00 0.00 N ATOM 394 CA GLY A 46 -3.510 -15.157 -9.332 1.00 0.00 C ATOM 395 C GLY A 46 -3.409 -14.444 -7.977 1.00 0.00 C ATOM 396 O GLY A 46 -2.317 -14.136 -7.510 1.00 0.00 O ATOM 0 H GLY A 46 -5.346 -15.818 -10.101 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.342 -16.224 -9.188 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.717 -14.795 -9.986 1.00 0.00 H new ATOM 400 N LYS A 47 -4.576 -14.174 -7.360 1.00 0.00 N ATOM 401 CA LYS A 47 -4.700 -13.429 -6.090 1.00 0.00 C ATOM 402 C LYS A 47 -5.474 -14.288 -5.093 1.00 0.00 C ATOM 403 O LYS A 47 -6.296 -15.105 -5.497 1.00 0.00 O ATOM 404 CB LYS A 47 -5.480 -12.099 -6.307 1.00 0.00 C ATOM 405 CG LYS A 47 -5.006 -11.228 -7.481 1.00 0.00 C ATOM 406 CD LYS A 47 -3.684 -10.493 -7.209 1.00 0.00 C ATOM 407 CE LYS A 47 -3.178 -9.762 -8.463 1.00 0.00 C ATOM 408 NZ LYS A 47 -4.250 -8.938 -9.087 1.00 0.00 N ATOM 0 H LYS A 47 -5.476 -14.473 -7.737 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.702 -13.199 -5.716 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.533 -12.338 -6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.416 -11.509 -5.393 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.887 -11.856 -8.364 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.778 -10.495 -7.713 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.825 -9.776 -6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.932 -11.207 -6.874 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.335 -9.123 -8.198 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.811 -10.490 -9.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.820 -8.173 -9.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.830 -9.536 -9.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.850 -8.528 -8.343 1.00 0.00 H new ATOM 422 N VAL A 48 -5.235 -14.080 -3.797 1.00 0.00 N ATOM 423 CA VAL A 48 -5.979 -14.770 -2.726 1.00 0.00 C ATOM 424 C VAL A 48 -6.999 -13.808 -2.098 1.00 0.00 C ATOM 425 O VAL A 48 -6.662 -12.666 -1.783 1.00 0.00 O ATOM 426 CB VAL A 48 -5.016 -15.349 -1.633 1.00 0.00 C ATOM 427 CG1 VAL A 48 -5.799 -16.011 -0.466 1.00 0.00 C ATOM 428 CG2 VAL A 48 -4.021 -16.350 -2.273 1.00 0.00 C ATOM 0 H VAL A 48 -4.525 -13.433 -3.455 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.508 -15.614 -3.169 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.453 -14.518 -1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.095 -16.400 0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.445 -15.270 0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.407 -16.828 -0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.357 -16.745 -1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.574 -17.170 -2.732 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.431 -15.840 -3.034 1.00 0.00 H new ATOM 438 N TYR A 49 -8.253 -14.286 -1.942 1.00 0.00 N ATOM 439 CA TYR A 49 -9.362 -13.510 -1.346 1.00 0.00 C ATOM 440 C TYR A 49 -10.017 -14.317 -0.218 1.00 0.00 C ATOM 441 O TYR A 49 -10.003 -15.555 -0.251 1.00 0.00 O ATOM 442 CB TYR A 49 -10.440 -13.169 -2.406 1.00 0.00 C ATOM 443 CG TYR A 49 -9.924 -12.420 -3.648 1.00 0.00 C ATOM 444 CD1 TYR A 49 -9.427 -13.124 -4.749 1.00 0.00 C ATOM 445 CD2 TYR A 49 -9.924 -11.024 -3.714 1.00 0.00 C ATOM 446 CE1 TYR A 49 -8.969 -12.460 -5.867 1.00 0.00 C ATOM 447 CE2 TYR A 49 -9.461 -10.363 -4.838 1.00 0.00 C ATOM 448 CZ TYR A 49 -8.978 -11.091 -5.904 1.00 0.00 C ATOM 449 OH TYR A 49 -8.513 -10.439 -7.025 1.00 0.00 O ATOM 0 H TYR A 49 -8.525 -15.226 -2.228 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.946 -12.582 -0.953 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.913 -14.096 -2.731 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.214 -12.565 -1.933 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.402 -14.203 -4.723 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.291 -10.452 -2.875 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.603 -13.020 -6.715 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.478 -9.284 -4.880 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.587 -9.471 -6.895 1.00 0.00 H new ATOM 459 N ASP A 50 -10.618 -13.606 0.754 1.00 0.00 N ATOM 460 CA ASP A 50 -11.355 -14.233 1.865 1.00 0.00 C ATOM 461 C ASP A 50 -12.846 -14.351 1.483 1.00 0.00 C ATOM 462 O ASP A 50 -13.568 -13.346 1.453 1.00 0.00 O ATOM 463 CB ASP A 50 -11.172 -13.406 3.177 1.00 0.00 C ATOM 464 CG ASP A 50 -11.506 -14.186 4.477 1.00 0.00 C ATOM 465 OD1 ASP A 50 -12.493 -14.951 4.515 1.00 0.00 O ATOM 466 OD2 ASP A 50 -10.776 -14.028 5.478 1.00 0.00 O ATOM 0 H ASP A 50 -10.606 -12.587 0.791 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.959 -15.232 2.048 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.141 -13.057 3.232 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.806 -12.521 3.126 1.00 0.00 H new ATOM 471 N ILE A 51 -13.286 -15.583 1.176 1.00 0.00 N ATOM 472 CA ILE A 51 -14.681 -15.884 0.785 1.00 0.00 C ATOM 473 C ILE A 51 -15.585 -16.059 2.013 1.00 0.00 C ATOM 474 O ILE A 51 -16.790 -15.752 1.953 1.00 0.00 O ATOM 475 CB ILE A 51 -14.741 -17.154 -0.147 1.00 0.00 C ATOM 476 CG1 ILE A 51 -14.042 -16.856 -1.504 1.00 0.00 C ATOM 477 CG2 ILE A 51 -16.189 -17.675 -0.378 1.00 0.00 C ATOM 478 CD1 ILE A 51 -14.695 -15.742 -2.310 1.00 0.00 C ATOM 0 H ILE A 51 -12.683 -16.406 1.191 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.057 -15.030 0.221 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.208 -17.951 0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -13.002 -16.590 -1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.034 -17.766 -2.103 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -16.162 -18.550 -1.027 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -16.635 -17.947 0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -16.786 -16.893 -0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.147 -15.597 -3.241 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -15.727 -16.012 -2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -14.679 -14.818 -1.732 1.00 0.00 H new ATOM 490 N LYS A 52 -14.999 -16.528 3.132 1.00 0.00 N ATOM 491 CA LYS A 52 -15.725 -16.701 4.409 1.00 0.00 C ATOM 492 C LYS A 52 -16.290 -15.320 4.844 1.00 0.00 C ATOM 493 O LYS A 52 -17.479 -15.182 5.146 1.00 0.00 O ATOM 494 CB LYS A 52 -14.757 -17.310 5.484 1.00 0.00 C ATOM 495 CG LYS A 52 -15.389 -18.120 6.663 1.00 0.00 C ATOM 496 CD LYS A 52 -16.285 -17.294 7.641 1.00 0.00 C ATOM 497 CE LYS A 52 -17.798 -17.393 7.325 1.00 0.00 C ATOM 498 NZ LYS A 52 -18.597 -16.458 8.147 1.00 0.00 N ATOM 0 H LYS A 52 -14.016 -16.796 3.178 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.559 -17.393 4.295 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.054 -17.964 4.968 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.177 -16.493 5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.988 -18.929 6.245 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.585 -18.581 7.236 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.111 -17.640 8.660 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.982 -16.248 7.603 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.963 -17.179 6.269 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -18.139 -18.413 7.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.475 -16.925 8.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -18.049 -16.176 8.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -18.830 -15.614 7.586 1.00 0.00 H new ATOM 512 N ASP A 53 -15.422 -14.292 4.790 1.00 0.00 N ATOM 513 CA ASP A 53 -15.794 -12.902 5.109 1.00 0.00 C ATOM 514 C ASP A 53 -16.737 -12.331 4.027 1.00 0.00 C ATOM 515 O ASP A 53 -17.706 -11.647 4.348 1.00 0.00 O ATOM 516 CB ASP A 53 -14.526 -12.014 5.233 1.00 0.00 C ATOM 517 CG ASP A 53 -14.837 -10.567 5.678 1.00 0.00 C ATOM 518 OD1 ASP A 53 -15.079 -10.352 6.883 1.00 0.00 O ATOM 519 OD2 ASP A 53 -14.860 -9.643 4.834 1.00 0.00 O ATOM 0 H ASP A 53 -14.444 -14.403 4.524 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.318 -12.900 6.065 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.841 -12.468 5.949 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.012 -11.989 4.272 1.00 0.00 H new ATOM 524 N PHE A 54 -16.429 -12.651 2.749 1.00 0.00 N ATOM 525 CA PHE A 54 -17.167 -12.155 1.557 1.00 0.00 C ATOM 526 C PHE A 54 -18.676 -12.415 1.664 1.00 0.00 C ATOM 527 O PHE A 54 -19.482 -11.486 1.557 1.00 0.00 O ATOM 528 CB PHE A 54 -16.584 -12.826 0.279 1.00 0.00 C ATOM 529 CG PHE A 54 -17.187 -12.365 -1.052 1.00 0.00 C ATOM 530 CD1 PHE A 54 -18.385 -12.903 -1.529 1.00 0.00 C ATOM 531 CD2 PHE A 54 -16.551 -11.404 -1.824 1.00 0.00 C ATOM 532 CE1 PHE A 54 -18.921 -12.490 -2.728 1.00 0.00 C ATOM 533 CE2 PHE A 54 -17.091 -10.998 -3.026 1.00 0.00 C ATOM 534 CZ PHE A 54 -18.271 -11.543 -3.477 1.00 0.00 C ATOM 0 H PHE A 54 -15.653 -13.268 2.510 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.037 -11.074 1.499 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.510 -12.641 0.253 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -16.720 -13.904 0.364 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -18.899 -13.655 -0.948 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -15.624 -10.970 -1.480 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -19.852 -12.911 -3.078 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -16.585 -10.248 -3.616 1.00 0.00 H new ATOM 0 HZ PHE A 54 -18.686 -11.225 -4.422 1.00 0.00 H new ATOM 544 N GLN A 55 -19.029 -13.687 1.883 1.00 0.00 N ATOM 545 CA GLN A 55 -20.430 -14.151 1.939 1.00 0.00 C ATOM 546 C GLN A 55 -21.177 -13.562 3.162 1.00 0.00 C ATOM 547 O GLN A 55 -22.405 -13.403 3.128 1.00 0.00 O ATOM 548 CB GLN A 55 -20.481 -15.694 1.932 1.00 0.00 C ATOM 549 CG GLN A 55 -19.775 -16.363 3.127 1.00 0.00 C ATOM 550 CD GLN A 55 -19.667 -17.878 2.998 1.00 0.00 C ATOM 551 OE1 GLN A 55 -20.565 -18.612 3.410 1.00 0.00 O ATOM 552 NE2 GLN A 55 -18.577 -18.353 2.408 1.00 0.00 N ATOM 0 H GLN A 55 -18.349 -14.433 2.028 1.00 0.00 H new ATOM 0 HA GLN A 55 -20.946 -13.788 1.050 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -21.524 -16.010 1.919 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -20.027 -16.056 1.009 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -18.775 -15.943 3.230 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -20.318 -16.122 4.041 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -17.854 -17.712 2.080 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -18.462 -19.359 2.283 1.00 0.00 H new ATOM 561 N THR A 56 -20.418 -13.260 4.236 1.00 0.00 N ATOM 562 CA THR A 56 -20.951 -12.567 5.426 1.00 0.00 C ATOM 563 C THR A 56 -21.351 -11.114 5.054 1.00 0.00 C ATOM 564 O THR A 56 -22.361 -10.590 5.535 1.00 0.00 O ATOM 565 CB THR A 56 -19.891 -12.572 6.584 1.00 0.00 C ATOM 566 OG1 THR A 56 -19.477 -13.922 6.866 1.00 0.00 O ATOM 567 CG2 THR A 56 -20.418 -11.920 7.883 1.00 0.00 C ATOM 0 H THR A 56 -19.426 -13.488 4.302 1.00 0.00 H new ATOM 0 HA THR A 56 -21.838 -13.095 5.777 1.00 0.00 H new ATOM 0 HB THR A 56 -19.046 -11.977 6.238 1.00 0.00 H new ATOM 0 HG1 THR A 56 -18.809 -14.204 6.206 1.00 0.00 H new ATOM 0 HG21 THR A 56 -19.642 -11.953 8.647 1.00 0.00 H new ATOM 0 HG22 THR A 56 -20.689 -10.883 7.685 1.00 0.00 H new ATOM 0 HG23 THR A 56 -21.295 -12.464 8.233 1.00 0.00 H new ATOM 575 N GLN A 57 -20.550 -10.479 4.165 1.00 0.00 N ATOM 576 CA GLN A 57 -20.831 -9.128 3.643 1.00 0.00 C ATOM 577 C GLN A 57 -21.951 -9.176 2.572 1.00 0.00 C ATOM 578 O GLN A 57 -22.641 -8.180 2.337 1.00 0.00 O ATOM 579 CB GLN A 57 -19.546 -8.482 3.040 1.00 0.00 C ATOM 580 CG GLN A 57 -18.268 -8.580 3.907 1.00 0.00 C ATOM 581 CD GLN A 57 -18.413 -8.106 5.357 1.00 0.00 C ATOM 582 OE1 GLN A 57 -19.193 -7.213 5.669 1.00 0.00 O ATOM 583 NE2 GLN A 57 -17.654 -8.710 6.253 1.00 0.00 N ATOM 0 H GLN A 57 -19.694 -10.891 3.793 1.00 0.00 H new ATOM 0 HA GLN A 57 -21.168 -8.514 4.478 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -19.345 -8.951 2.077 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -19.749 -7.429 2.845 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -17.935 -9.618 3.915 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.481 -7.996 3.430 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -17.014 -9.450 5.964 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -17.708 -8.437 7.234 1.00 0.00 H new ATOM 592 N SER A 58 -22.112 -10.354 1.927 1.00 0.00 N ATOM 593 CA SER A 58 -23.167 -10.596 0.921 1.00 0.00 C ATOM 594 C SER A 58 -24.534 -10.816 1.589 1.00 0.00 C ATOM 595 O SER A 58 -25.574 -10.683 0.940 1.00 0.00 O ATOM 596 CB SER A 58 -22.807 -11.816 0.040 1.00 0.00 C ATOM 597 OG SER A 58 -21.500 -11.694 -0.514 1.00 0.00 O ATOM 0 H SER A 58 -21.513 -11.163 2.091 1.00 0.00 H new ATOM 0 HA SER A 58 -23.233 -9.709 0.291 1.00 0.00 H new ATOM 0 HB2 SER A 58 -22.867 -12.727 0.636 1.00 0.00 H new ATOM 0 HB3 SER A 58 -23.536 -11.913 -0.764 1.00 0.00 H new ATOM 0 HG SER A 58 -20.839 -11.673 0.209 1.00 0.00 H new ATOM 603 N LEU A 59 -24.510 -11.165 2.892 1.00 0.00 N ATOM 604 CA LEU A 59 -25.721 -11.367 3.704 1.00 0.00 C ATOM 605 C LEU A 59 -26.373 -10.005 4.045 1.00 0.00 C ATOM 606 O LEU A 59 -27.584 -9.929 4.258 1.00 0.00 O ATOM 607 CB LEU A 59 -25.354 -12.202 4.978 1.00 0.00 C ATOM 608 CG LEU A 59 -26.550 -12.729 5.873 1.00 0.00 C ATOM 609 CD1 LEU A 59 -26.210 -14.096 6.520 1.00 0.00 C ATOM 610 CD2 LEU A 59 -26.970 -11.707 6.966 1.00 0.00 C ATOM 0 H LEU A 59 -23.644 -11.315 3.410 1.00 0.00 H new ATOM 0 HA LEU A 59 -26.464 -11.933 3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -24.767 -13.063 4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -24.707 -11.591 5.607 1.00 0.00 H new ATOM 0 HG LEU A 59 -27.399 -12.860 5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -27.051 -14.430 7.128 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -26.013 -14.830 5.738 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -25.327 -13.991 7.150 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -27.793 -12.118 7.551 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -26.123 -11.507 7.622 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -27.289 -10.779 6.493 1.00 0.00 H new ATOM 622 N THR A 60 -25.550 -8.934 4.042 1.00 0.00 N ATOM 623 CA THR A 60 -25.982 -7.561 4.380 1.00 0.00 C ATOM 624 C THR A 60 -27.120 -7.045 3.454 1.00 0.00 C ATOM 625 O THR A 60 -27.061 -7.240 2.233 1.00 0.00 O ATOM 626 CB THR A 60 -24.769 -6.583 4.291 1.00 0.00 C ATOM 627 OG1 THR A 60 -23.677 -7.095 5.082 1.00 0.00 O ATOM 628 CG2 THR A 60 -25.126 -5.160 4.770 1.00 0.00 C ATOM 0 H THR A 60 -24.560 -8.999 3.803 1.00 0.00 H new ATOM 0 HA THR A 60 -26.372 -7.595 5.397 1.00 0.00 H new ATOM 0 HB THR A 60 -24.481 -6.515 3.242 1.00 0.00 H new ATOM 0 HG1 THR A 60 -23.063 -7.597 4.506 1.00 0.00 H new ATOM 0 HG21 THR A 60 -24.249 -4.518 4.688 1.00 0.00 H new ATOM 0 HG22 THR A 60 -25.929 -4.758 4.151 1.00 0.00 H new ATOM 0 HG23 THR A 60 -25.453 -5.197 5.809 1.00 0.00 H new ATOM 636 N GLU A 61 -28.128 -6.372 4.066 1.00 0.00 N ATOM 637 CA GLU A 61 -29.316 -5.802 3.376 1.00 0.00 C ATOM 638 C GLU A 61 -28.916 -4.858 2.213 1.00 0.00 C ATOM 639 O GLU A 61 -29.462 -4.952 1.103 1.00 0.00 O ATOM 640 CB GLU A 61 -30.206 -5.045 4.413 1.00 0.00 C ATOM 641 CG GLU A 61 -29.455 -3.956 5.218 1.00 0.00 C ATOM 642 CD GLU A 61 -30.350 -3.148 6.171 1.00 0.00 C ATOM 643 OE1 GLU A 61 -30.628 -3.622 7.300 1.00 0.00 O ATOM 644 OE2 GLU A 61 -30.772 -2.032 5.806 1.00 0.00 O ATOM 0 H GLU A 61 -28.139 -6.207 5.072 1.00 0.00 H new ATOM 0 HA GLU A 61 -29.881 -6.625 2.938 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -31.042 -4.582 3.888 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -30.629 -5.769 5.109 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -28.662 -4.430 5.796 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -28.975 -3.270 4.520 1.00 0.00 H new ATOM 651 N ASN A 62 -27.940 -3.967 2.486 1.00 0.00 N ATOM 652 CA ASN A 62 -27.403 -2.998 1.518 1.00 0.00 C ATOM 653 C ASN A 62 -25.922 -3.303 1.320 1.00 0.00 C ATOM 654 O ASN A 62 -25.117 -3.138 2.240 1.00 0.00 O ATOM 655 CB ASN A 62 -27.585 -1.536 2.021 1.00 0.00 C ATOM 656 CG ASN A 62 -29.045 -1.134 2.212 1.00 0.00 C ATOM 657 OD1 ASN A 62 -29.942 -1.650 1.550 1.00 0.00 O ATOM 658 ND2 ASN A 62 -29.291 -0.188 3.097 1.00 0.00 N ATOM 0 H ASN A 62 -27.498 -3.903 3.403 1.00 0.00 H new ATOM 0 HA ASN A 62 -27.944 -3.087 0.576 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -27.057 -1.418 2.967 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -27.119 -0.855 1.309 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -30.247 0.134 3.247 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -28.525 0.222 3.632 1.00 0.00 H new ATOM 665 N SER A 63 -25.588 -3.766 0.127 1.00 0.00 N ATOM 666 CA SER A 63 -24.222 -4.115 -0.270 1.00 0.00 C ATOM 667 C SER A 63 -24.184 -4.203 -1.802 1.00 0.00 C ATOM 668 O SER A 63 -25.229 -4.364 -2.449 1.00 0.00 O ATOM 669 CB SER A 63 -23.772 -5.470 0.366 1.00 0.00 C ATOM 670 OG SER A 63 -22.431 -5.789 0.012 1.00 0.00 O ATOM 0 H SER A 63 -26.272 -3.916 -0.615 1.00 0.00 H new ATOM 0 HA SER A 63 -23.531 -3.351 0.087 1.00 0.00 H new ATOM 0 HB2 SER A 63 -23.860 -5.411 1.451 1.00 0.00 H new ATOM 0 HB3 SER A 63 -24.437 -6.268 0.035 1.00 0.00 H new ATOM 0 HG SER A 63 -22.118 -6.539 0.560 1.00 0.00 H new ATOM 676 N ILE A 64 -22.989 -4.072 -2.380 1.00 0.00 N ATOM 677 CA ILE A 64 -22.749 -4.424 -3.794 1.00 0.00 C ATOM 678 C ILE A 64 -22.940 -5.942 -3.990 1.00 0.00 C ATOM 679 O ILE A 64 -23.229 -6.402 -5.080 1.00 0.00 O ATOM 680 CB ILE A 64 -21.296 -4.022 -4.265 1.00 0.00 C ATOM 681 CG1 ILE A 64 -20.214 -4.657 -3.325 1.00 0.00 C ATOM 682 CG2 ILE A 64 -21.145 -2.483 -4.358 1.00 0.00 C ATOM 683 CD1 ILE A 64 -18.796 -4.501 -3.799 1.00 0.00 C ATOM 0 H ILE A 64 -22.163 -3.723 -1.893 1.00 0.00 H new ATOM 0 HA ILE A 64 -23.467 -3.868 -4.397 1.00 0.00 H new ATOM 0 HB ILE A 64 -21.138 -4.421 -5.267 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -20.303 -4.207 -2.336 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -20.430 -5.720 -3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -20.135 -2.236 -4.684 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -21.865 -2.089 -5.076 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -21.329 -2.040 -3.379 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -18.120 -4.971 -3.085 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.683 -4.977 -4.773 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -18.555 -3.441 -3.883 1.00 0.00 H new ATOM 695 N LEU A 65 -22.759 -6.694 -2.882 1.00 0.00 N ATOM 696 CA LEU A 65 -22.893 -8.153 -2.831 1.00 0.00 C ATOM 697 C LEU A 65 -24.322 -8.578 -2.452 1.00 0.00 C ATOM 698 O LEU A 65 -24.613 -9.773 -2.389 1.00 0.00 O ATOM 699 CB LEU A 65 -21.876 -8.709 -1.805 1.00 0.00 C ATOM 700 CG LEU A 65 -20.392 -8.283 -2.004 1.00 0.00 C ATOM 701 CD1 LEU A 65 -19.469 -8.947 -0.948 1.00 0.00 C ATOM 702 CD2 LEU A 65 -19.935 -8.561 -3.455 1.00 0.00 C ATOM 0 H LEU A 65 -22.510 -6.286 -1.981 1.00 0.00 H new ATOM 0 HA LEU A 65 -22.689 -8.560 -3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -22.190 -8.398 -0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -21.926 -9.798 -1.830 1.00 0.00 H new ATOM 0 HG LEU A 65 -20.315 -7.207 -1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -18.439 -8.630 -1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -19.785 -8.647 0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.534 -10.031 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.895 -8.256 -3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.028 -9.626 -3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.560 -7.997 -4.148 1.00 0.00 H new ATOM 714 N ALA A 66 -25.205 -7.587 -2.187 1.00 0.00 N ATOM 715 CA ALA A 66 -26.638 -7.839 -1.902 1.00 0.00 C ATOM 716 C ALA A 66 -27.369 -8.284 -3.182 1.00 0.00 C ATOM 717 O ALA A 66 -28.318 -9.073 -3.126 1.00 0.00 O ATOM 718 CB ALA A 66 -27.299 -6.592 -1.287 1.00 0.00 C ATOM 0 H ALA A 66 -24.948 -6.600 -2.165 1.00 0.00 H new ATOM 0 HA ALA A 66 -26.711 -8.646 -1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -28.350 -6.799 -1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -26.795 -6.335 -0.355 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -27.221 -5.758 -1.984 1.00 0.00 H new ATOM 724 N GLN A 67 -26.908 -7.768 -4.339 1.00 0.00 N ATOM 725 CA GLN A 67 -27.389 -8.211 -5.668 1.00 0.00 C ATOM 726 C GLN A 67 -26.769 -9.574 -6.045 1.00 0.00 C ATOM 727 O GLN A 67 -27.322 -10.306 -6.868 1.00 0.00 O ATOM 728 CB GLN A 67 -27.065 -7.146 -6.759 1.00 0.00 C ATOM 729 CG GLN A 67 -25.565 -6.971 -7.064 1.00 0.00 C ATOM 730 CD GLN A 67 -25.247 -5.748 -7.922 1.00 0.00 C ATOM 731 OE1 GLN A 67 -25.228 -5.812 -9.150 1.00 0.00 O ATOM 732 NE2 GLN A 67 -24.991 -4.622 -7.275 1.00 0.00 N ATOM 0 H GLN A 67 -26.197 -7.038 -4.382 1.00 0.00 H new ATOM 0 HA GLN A 67 -28.472 -8.326 -5.614 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -27.579 -7.421 -7.680 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -27.472 -6.186 -6.442 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -25.019 -6.895 -6.123 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -25.201 -7.864 -7.572 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -25.015 -4.603 -6.255 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -24.770 -3.773 -7.796 1.00 0.00 H new ATOM 741 N PHE A 68 -25.610 -9.895 -5.437 1.00 0.00 N ATOM 742 CA PHE A 68 -24.866 -11.153 -5.668 1.00 0.00 C ATOM 743 C PHE A 68 -25.198 -12.219 -4.596 1.00 0.00 C ATOM 744 O PHE A 68 -24.584 -13.291 -4.582 1.00 0.00 O ATOM 745 CB PHE A 68 -23.341 -10.863 -5.669 1.00 0.00 C ATOM 746 CG PHE A 68 -22.837 -9.976 -6.816 1.00 0.00 C ATOM 747 CD1 PHE A 68 -23.172 -10.268 -8.139 1.00 0.00 C ATOM 748 CD2 PHE A 68 -22.020 -8.872 -6.578 1.00 0.00 C ATOM 749 CE1 PHE A 68 -22.699 -9.489 -9.180 1.00 0.00 C ATOM 750 CE2 PHE A 68 -21.548 -8.091 -7.623 1.00 0.00 C ATOM 751 CZ PHE A 68 -21.896 -8.396 -8.920 1.00 0.00 C ATOM 0 H PHE A 68 -25.156 -9.280 -4.762 1.00 0.00 H new ATOM 0 HA PHE A 68 -25.169 -11.551 -6.637 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -23.079 -10.388 -4.724 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -22.808 -11.813 -5.707 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -23.809 -11.113 -8.353 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -21.750 -8.620 -5.563 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -22.958 -9.736 -10.199 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -20.908 -7.245 -7.420 1.00 0.00 H new ATOM 0 HZ PHE A 68 -21.541 -7.781 -9.734 1.00 0.00 H new ATOM 761 N ALA A 69 -26.186 -11.919 -3.725 1.00 0.00 N ATOM 762 CA ALA A 69 -26.581 -12.805 -2.607 1.00 0.00 C ATOM 763 C ALA A 69 -27.275 -14.095 -3.104 1.00 0.00 C ATOM 764 O ALA A 69 -27.287 -15.110 -2.397 1.00 0.00 O ATOM 765 CB ALA A 69 -27.484 -12.038 -1.635 1.00 0.00 C ATOM 0 H ALA A 69 -26.731 -11.058 -3.776 1.00 0.00 H new ATOM 0 HA ALA A 69 -25.675 -13.117 -2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -27.773 -12.693 -0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -26.945 -11.177 -1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -28.377 -11.698 -2.159 1.00 0.00 H new ATOM 771 N GLY A 70 -27.838 -14.049 -4.330 1.00 0.00 N ATOM 772 CA GLY A 70 -28.481 -15.223 -4.950 1.00 0.00 C ATOM 773 C GLY A 70 -27.512 -16.055 -5.785 1.00 0.00 C ATOM 774 O GLY A 70 -27.937 -16.941 -6.530 1.00 0.00 O ATOM 0 H GLY A 70 -27.859 -13.210 -4.909 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -28.912 -15.850 -4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -29.304 -14.889 -5.582 1.00 0.00 H new ATOM 778 N GLU A 71 -26.198 -15.768 -5.658 1.00 0.00 N ATOM 779 CA GLU A 71 -25.121 -16.434 -6.418 1.00 0.00 C ATOM 780 C GLU A 71 -24.072 -16.997 -5.445 1.00 0.00 C ATOM 781 O GLU A 71 -23.979 -16.542 -4.292 1.00 0.00 O ATOM 782 CB GLU A 71 -24.471 -15.411 -7.418 1.00 0.00 C ATOM 783 CG GLU A 71 -23.376 -15.969 -8.364 1.00 0.00 C ATOM 784 CD GLU A 71 -23.847 -17.162 -9.218 1.00 0.00 C ATOM 785 OE1 GLU A 71 -24.630 -16.953 -10.167 1.00 0.00 O ATOM 786 OE2 GLU A 71 -23.459 -18.317 -8.930 1.00 0.00 O ATOM 0 H GLU A 71 -25.852 -15.056 -5.015 1.00 0.00 H new ATOM 0 HA GLU A 71 -25.534 -17.263 -6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.264 -14.981 -8.030 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.038 -14.596 -6.839 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -23.038 -15.171 -9.025 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -22.516 -16.276 -7.769 1.00 0.00 H new ATOM 793 N ASP A 72 -23.319 -18.017 -5.917 1.00 0.00 N ATOM 794 CA ASP A 72 -22.138 -18.568 -5.223 1.00 0.00 C ATOM 795 C ASP A 72 -21.133 -17.432 -4.944 1.00 0.00 C ATOM 796 O ASP A 72 -20.797 -16.712 -5.877 1.00 0.00 O ATOM 797 CB ASP A 72 -21.481 -19.666 -6.106 1.00 0.00 C ATOM 798 CG ASP A 72 -20.234 -20.308 -5.469 1.00 0.00 C ATOM 799 OD1 ASP A 72 -20.383 -21.296 -4.725 1.00 0.00 O ATOM 800 OD2 ASP A 72 -19.110 -19.810 -5.693 1.00 0.00 O ATOM 0 H ASP A 72 -23.519 -18.484 -6.801 1.00 0.00 H new ATOM 0 HA ASP A 72 -22.441 -19.014 -4.276 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -22.216 -20.445 -6.309 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -21.204 -19.230 -7.066 1.00 0.00 H new ATOM 805 N PRO A 73 -20.638 -17.263 -3.668 1.00 0.00 N ATOM 806 CA PRO A 73 -19.775 -16.112 -3.280 1.00 0.00 C ATOM 807 C PRO A 73 -18.452 -16.018 -4.084 1.00 0.00 C ATOM 808 O PRO A 73 -17.944 -14.918 -4.318 1.00 0.00 O ATOM 809 CB PRO A 73 -19.513 -16.351 -1.764 1.00 0.00 C ATOM 810 CG PRO A 73 -19.765 -17.814 -1.559 1.00 0.00 C ATOM 811 CD PRO A 73 -20.885 -18.162 -2.504 1.00 0.00 C ATOM 0 HA PRO A 73 -20.261 -15.160 -3.494 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.492 -16.083 -1.492 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -20.177 -15.745 -1.147 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.872 -18.401 -1.775 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -20.043 -18.024 -0.526 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -20.857 -19.213 -2.793 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -21.862 -17.981 -2.055 1.00 0.00 H new ATOM 819 N VAL A 74 -17.916 -17.166 -4.520 1.00 0.00 N ATOM 820 CA VAL A 74 -16.650 -17.215 -5.280 1.00 0.00 C ATOM 821 C VAL A 74 -16.878 -16.741 -6.738 1.00 0.00 C ATOM 822 O VAL A 74 -16.048 -16.024 -7.304 1.00 0.00 O ATOM 823 CB VAL A 74 -16.027 -18.658 -5.250 1.00 0.00 C ATOM 824 CG1 VAL A 74 -14.620 -18.685 -5.873 1.00 0.00 C ATOM 825 CG2 VAL A 74 -16.007 -19.232 -3.810 1.00 0.00 C ATOM 0 H VAL A 74 -18.339 -18.080 -4.360 1.00 0.00 H new ATOM 0 HA VAL A 74 -15.940 -16.539 -4.804 1.00 0.00 H new ATOM 0 HB VAL A 74 -16.667 -19.297 -5.859 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -14.224 -19.700 -5.833 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -14.675 -18.358 -6.911 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -13.963 -18.017 -5.316 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -15.571 -20.231 -3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -15.411 -18.583 -3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -17.026 -19.286 -3.426 1.00 0.00 H new ATOM 835 N VAL A 75 -18.030 -17.138 -7.314 1.00 0.00 N ATOM 836 CA VAL A 75 -18.452 -16.704 -8.672 1.00 0.00 C ATOM 837 C VAL A 75 -18.824 -15.203 -8.659 1.00 0.00 C ATOM 838 O VAL A 75 -18.486 -14.446 -9.576 1.00 0.00 O ATOM 839 CB VAL A 75 -19.673 -17.559 -9.190 1.00 0.00 C ATOM 840 CG1 VAL A 75 -20.131 -17.122 -10.609 1.00 0.00 C ATOM 841 CG2 VAL A 75 -19.337 -19.070 -9.153 1.00 0.00 C ATOM 0 H VAL A 75 -18.694 -17.764 -6.859 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.615 -16.861 -9.352 1.00 0.00 H new ATOM 0 HB VAL A 75 -20.509 -17.375 -8.516 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -20.973 -17.737 -10.925 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -20.434 -16.075 -10.587 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -19.307 -17.246 -11.312 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -20.192 -19.642 -9.514 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -18.474 -19.267 -9.789 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -19.108 -19.367 -8.129 1.00 0.00 H new ATOM 851 N ALA A 76 -19.494 -14.805 -7.574 1.00 0.00 N ATOM 852 CA ALA A 76 -19.933 -13.426 -7.309 1.00 0.00 C ATOM 853 C ALA A 76 -18.732 -12.481 -7.164 1.00 0.00 C ATOM 854 O ALA A 76 -18.797 -11.307 -7.546 1.00 0.00 O ATOM 855 CB ALA A 76 -20.785 -13.399 -6.033 1.00 0.00 C ATOM 0 H ALA A 76 -19.756 -15.452 -6.830 1.00 0.00 H new ATOM 0 HA ALA A 76 -20.529 -13.081 -8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -21.111 -12.378 -5.835 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -21.657 -14.040 -6.164 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -20.193 -13.760 -5.192 1.00 0.00 H new ATOM 861 N LEU A 77 -17.646 -13.024 -6.590 1.00 0.00 N ATOM 862 CA LEU A 77 -16.365 -12.328 -6.434 1.00 0.00 C ATOM 863 C LEU A 77 -15.782 -11.943 -7.804 1.00 0.00 C ATOM 864 O LEU A 77 -15.316 -10.826 -7.974 1.00 0.00 O ATOM 865 CB LEU A 77 -15.376 -13.230 -5.657 1.00 0.00 C ATOM 866 CG LEU A 77 -13.930 -12.672 -5.447 1.00 0.00 C ATOM 867 CD1 LEU A 77 -13.904 -11.402 -4.565 1.00 0.00 C ATOM 868 CD2 LEU A 77 -13.015 -13.766 -4.880 1.00 0.00 C ATOM 0 H LEU A 77 -17.637 -13.973 -6.217 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.529 -11.410 -5.870 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.805 -13.440 -4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.300 -14.182 -6.182 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.552 -12.371 -6.424 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.876 -11.058 -4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.499 -10.620 -5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -14.319 -11.632 -3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.012 -13.364 -4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.407 -14.108 -3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.975 -14.604 -5.576 1.00 0.00 H new ATOM 880 N GLU A 78 -15.837 -12.887 -8.765 1.00 0.00 N ATOM 881 CA GLU A 78 -15.301 -12.700 -10.138 1.00 0.00 C ATOM 882 C GLU A 78 -16.064 -11.599 -10.893 1.00 0.00 C ATOM 883 O GLU A 78 -15.459 -10.793 -11.610 1.00 0.00 O ATOM 884 CB GLU A 78 -15.373 -14.030 -10.925 1.00 0.00 C ATOM 885 CG GLU A 78 -14.629 -15.187 -10.249 1.00 0.00 C ATOM 886 CD GLU A 78 -14.768 -16.516 -11.000 1.00 0.00 C ATOM 887 OE1 GLU A 78 -15.817 -17.176 -10.851 1.00 0.00 O ATOM 888 OE2 GLU A 78 -13.848 -16.892 -11.759 1.00 0.00 O ATOM 0 H GLU A 78 -16.255 -13.805 -8.615 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.260 -12.389 -10.051 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.419 -14.309 -11.055 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.958 -13.875 -11.921 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.572 -14.932 -10.167 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.007 -15.310 -9.234 1.00 0.00 H new ATOM 895 N ALA A 79 -17.397 -11.591 -10.717 1.00 0.00 N ATOM 896 CA ALA A 79 -18.287 -10.555 -11.284 1.00 0.00 C ATOM 897 C ALA A 79 -17.954 -9.171 -10.689 1.00 0.00 C ATOM 898 O ALA A 79 -17.958 -8.151 -11.388 1.00 0.00 O ATOM 899 CB ALA A 79 -19.755 -10.922 -11.004 1.00 0.00 C ATOM 0 H ALA A 79 -17.891 -12.302 -10.178 1.00 0.00 H new ATOM 0 HA ALA A 79 -18.133 -10.507 -12.362 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -20.408 -10.156 -11.423 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -19.983 -11.884 -11.462 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -19.915 -10.986 -9.928 1.00 0.00 H new ATOM 905 N ALA A 80 -17.640 -9.179 -9.385 1.00 0.00 N ATOM 906 CA ALA A 80 -17.283 -7.976 -8.625 1.00 0.00 C ATOM 907 C ALA A 80 -15.845 -7.504 -8.942 1.00 0.00 C ATOM 908 O ALA A 80 -15.535 -6.327 -8.803 1.00 0.00 O ATOM 909 CB ALA A 80 -17.471 -8.252 -7.129 1.00 0.00 C ATOM 0 H ALA A 80 -17.627 -10.031 -8.824 1.00 0.00 H new ATOM 0 HA ALA A 80 -17.944 -7.162 -8.921 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -17.207 -7.361 -6.559 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -18.512 -8.512 -6.935 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.828 -9.079 -6.828 1.00 0.00 H new ATOM 915 N LEU A 81 -14.974 -8.442 -9.365 1.00 0.00 N ATOM 916 CA LEU A 81 -13.599 -8.133 -9.829 1.00 0.00 C ATOM 917 C LEU A 81 -13.651 -7.448 -11.200 1.00 0.00 C ATOM 918 O LEU A 81 -12.884 -6.516 -11.473 1.00 0.00 O ATOM 919 CB LEU A 81 -12.730 -9.427 -9.923 1.00 0.00 C ATOM 920 CG LEU A 81 -12.298 -10.064 -8.563 1.00 0.00 C ATOM 921 CD1 LEU A 81 -11.585 -11.429 -8.761 1.00 0.00 C ATOM 922 CD2 LEU A 81 -11.419 -9.085 -7.760 1.00 0.00 C ATOM 0 H LEU A 81 -15.200 -9.436 -9.396 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.141 -7.463 -9.101 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -13.286 -10.173 -10.490 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.831 -9.196 -10.495 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.204 -10.261 -7.989 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.302 -11.836 -7.790 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.260 -12.123 -9.262 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.692 -11.288 -9.370 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.128 -9.547 -6.816 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.526 -8.842 -8.335 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.980 -8.172 -7.560 1.00 0.00 H new ATOM 934 N GLN A 82 -14.570 -7.940 -12.049 1.00 0.00 N ATOM 935 CA GLN A 82 -14.751 -7.464 -13.426 1.00 0.00 C ATOM 936 C GLN A 82 -15.298 -6.025 -13.448 1.00 0.00 C ATOM 937 O GLN A 82 -14.801 -5.178 -14.207 1.00 0.00 O ATOM 938 CB GLN A 82 -15.703 -8.421 -14.196 1.00 0.00 C ATOM 939 CG GLN A 82 -15.917 -8.060 -15.684 1.00 0.00 C ATOM 940 CD GLN A 82 -16.846 -9.022 -16.431 1.00 0.00 C ATOM 941 OE1 GLN A 82 -16.927 -10.208 -16.113 1.00 0.00 O ATOM 942 NE2 GLN A 82 -17.557 -8.515 -17.428 1.00 0.00 N ATOM 0 H GLN A 82 -15.214 -8.688 -11.792 1.00 0.00 H new ATOM 0 HA GLN A 82 -13.779 -7.458 -13.919 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -15.305 -9.434 -14.136 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -16.671 -8.429 -13.695 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -16.327 -7.052 -15.747 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -14.950 -8.042 -16.186 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -17.468 -7.528 -17.667 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -18.194 -9.112 -17.956 1.00 0.00 H new ATOM 951 N PHE A 83 -16.309 -5.752 -12.602 1.00 0.00 N ATOM 952 CA PHE A 83 -16.967 -4.437 -12.569 1.00 0.00 C ATOM 953 C PHE A 83 -16.175 -3.466 -11.663 1.00 0.00 C ATOM 954 O PHE A 83 -15.814 -3.808 -10.530 1.00 0.00 O ATOM 955 CB PHE A 83 -18.440 -4.576 -12.113 1.00 0.00 C ATOM 956 CG PHE A 83 -19.291 -3.345 -12.421 1.00 0.00 C ATOM 957 CD1 PHE A 83 -19.504 -2.957 -13.747 1.00 0.00 C ATOM 958 CD2 PHE A 83 -19.852 -2.569 -11.413 1.00 0.00 C ATOM 959 CE1 PHE A 83 -20.258 -1.841 -14.048 1.00 0.00 C ATOM 960 CE2 PHE A 83 -20.609 -1.452 -11.721 1.00 0.00 C ATOM 961 CZ PHE A 83 -20.807 -1.086 -13.034 1.00 0.00 C ATOM 0 H PHE A 83 -16.686 -6.425 -11.934 1.00 0.00 H new ATOM 0 HA PHE A 83 -16.977 -4.019 -13.576 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -18.882 -5.445 -12.600 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -18.464 -4.765 -11.040 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -19.072 -3.539 -14.548 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -19.696 -2.840 -10.379 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -20.418 -1.559 -15.078 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -21.047 -0.864 -10.928 1.00 0.00 H new ATOM 0 HZ PHE A 83 -21.392 -0.209 -13.269 1.00 0.00 H new ATOM 971 N GLU A 84 -15.918 -2.259 -12.189 1.00 0.00 N ATOM 972 CA GLU A 84 -15.031 -1.252 -11.568 1.00 0.00 C ATOM 973 C GLU A 84 -15.588 -0.698 -10.241 1.00 0.00 C ATOM 974 O GLU A 84 -14.840 -0.550 -9.266 1.00 0.00 O ATOM 975 CB GLU A 84 -14.761 -0.114 -12.580 1.00 0.00 C ATOM 976 CG GLU A 84 -16.034 0.594 -13.101 1.00 0.00 C ATOM 977 CD GLU A 84 -15.761 1.535 -14.279 1.00 0.00 C ATOM 978 OE1 GLU A 84 -15.717 1.053 -15.429 1.00 0.00 O ATOM 979 OE2 GLU A 84 -15.570 2.757 -14.059 1.00 0.00 O ATOM 0 H GLU A 84 -16.324 -1.946 -13.071 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.093 -1.746 -11.313 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.114 0.627 -12.111 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.214 -0.522 -13.430 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.761 -0.158 -13.406 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -16.485 1.162 -12.287 1.00 0.00 H new ATOM 986 N ASP A 85 -16.903 -0.436 -10.201 1.00 0.00 N ATOM 987 CA ASP A 85 -17.572 0.170 -9.028 1.00 0.00 C ATOM 988 C ASP A 85 -17.595 -0.799 -7.831 1.00 0.00 C ATOM 989 O ASP A 85 -17.636 -0.368 -6.682 1.00 0.00 O ATOM 990 CB ASP A 85 -19.010 0.609 -9.402 1.00 0.00 C ATOM 991 CG ASP A 85 -19.804 1.249 -8.245 1.00 0.00 C ATOM 992 OD1 ASP A 85 -19.579 2.434 -7.944 1.00 0.00 O ATOM 993 OD2 ASP A 85 -20.655 0.558 -7.631 1.00 0.00 O ATOM 0 H ASP A 85 -17.536 -0.636 -10.976 1.00 0.00 H new ATOM 0 HA ASP A 85 -17.001 1.049 -8.729 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -18.956 1.320 -10.226 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -19.559 -0.260 -9.766 1.00 0.00 H new ATOM 998 N THR A 86 -17.560 -2.103 -8.122 1.00 0.00 N ATOM 999 CA THR A 86 -17.622 -3.155 -7.103 1.00 0.00 C ATOM 1000 C THR A 86 -16.208 -3.576 -6.615 1.00 0.00 C ATOM 1001 O THR A 86 -16.026 -3.848 -5.423 1.00 0.00 O ATOM 1002 CB THR A 86 -18.421 -4.385 -7.652 1.00 0.00 C ATOM 1003 OG1 THR A 86 -17.904 -4.770 -8.923 1.00 0.00 O ATOM 1004 CG2 THR A 86 -19.928 -4.084 -7.808 1.00 0.00 C ATOM 0 H THR A 86 -17.488 -2.460 -9.075 1.00 0.00 H new ATOM 0 HA THR A 86 -18.146 -2.754 -6.236 1.00 0.00 H new ATOM 0 HB THR A 86 -18.305 -5.189 -6.925 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.056 -5.245 -8.801 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.438 -4.968 -8.192 1.00 0.00 H new ATOM 0 HG22 THR A 86 -20.348 -3.815 -6.839 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.064 -3.256 -8.504 1.00 0.00 H new ATOM 1012 N ARG A 87 -15.198 -3.556 -7.524 1.00 0.00 N ATOM 1013 CA ARG A 87 -13.833 -4.113 -7.248 1.00 0.00 C ATOM 1014 C ARG A 87 -13.069 -3.317 -6.172 1.00 0.00 C ATOM 1015 O ARG A 87 -12.050 -3.792 -5.662 1.00 0.00 O ATOM 1016 CB ARG A 87 -12.982 -4.195 -8.547 1.00 0.00 C ATOM 1017 CG ARG A 87 -12.571 -2.825 -9.123 1.00 0.00 C ATOM 1018 CD ARG A 87 -11.748 -2.925 -10.417 1.00 0.00 C ATOM 1019 NE ARG A 87 -11.429 -1.586 -10.948 1.00 0.00 N ATOM 1020 CZ ARG A 87 -10.808 -1.329 -12.106 1.00 0.00 C ATOM 1021 NH1 ARG A 87 -10.453 -2.311 -12.926 1.00 0.00 N ATOM 1022 NH2 ARG A 87 -10.549 -0.074 -12.439 1.00 0.00 N ATOM 0 H ARG A 87 -15.297 -3.160 -8.459 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.993 -5.119 -6.861 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.082 -4.775 -8.342 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.547 -4.740 -9.304 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.468 -2.238 -9.317 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -11.992 -2.284 -8.375 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.825 -3.472 -10.224 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.305 -3.492 -11.163 1.00 0.00 H new ATOM 0 HE ARG A 87 -11.706 -0.784 -10.382 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.653 -3.280 -12.678 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.981 -2.096 -13.804 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.822 0.686 -11.816 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.076 0.133 -13.319 1.00 0.00 H new ATOM 1036 N GLU A 88 -13.562 -2.104 -5.848 1.00 0.00 N ATOM 1037 CA GLU A 88 -13.034 -1.284 -4.733 1.00 0.00 C ATOM 1038 C GLU A 88 -13.113 -2.051 -3.392 1.00 0.00 C ATOM 1039 O GLU A 88 -12.225 -1.941 -2.546 1.00 0.00 O ATOM 1040 CB GLU A 88 -13.819 0.047 -4.628 1.00 0.00 C ATOM 1041 CG GLU A 88 -15.351 -0.140 -4.553 1.00 0.00 C ATOM 1042 CD GLU A 88 -16.109 1.131 -4.144 1.00 0.00 C ATOM 1043 OE1 GLU A 88 -16.255 2.042 -4.986 1.00 0.00 O ATOM 1044 OE2 GLU A 88 -16.540 1.231 -2.972 1.00 0.00 O ATOM 0 H GLU A 88 -14.335 -1.665 -6.349 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.987 -1.066 -4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.484 0.587 -3.743 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.580 0.669 -5.491 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.715 -0.473 -5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.577 -0.932 -3.839 1.00 0.00 H new ATOM 1051 N SER A 89 -14.190 -2.832 -3.216 1.00 0.00 N ATOM 1052 CA SER A 89 -14.399 -3.665 -2.020 1.00 0.00 C ATOM 1053 C SER A 89 -13.525 -4.932 -2.087 1.00 0.00 C ATOM 1054 O SER A 89 -13.020 -5.400 -1.064 1.00 0.00 O ATOM 1055 CB SER A 89 -15.890 -4.028 -1.902 1.00 0.00 C ATOM 1056 OG SER A 89 -16.163 -4.813 -0.761 1.00 0.00 O ATOM 0 H SER A 89 -14.943 -2.904 -3.900 1.00 0.00 H new ATOM 0 HA SER A 89 -14.104 -3.104 -1.133 1.00 0.00 H new ATOM 0 HB2 SER A 89 -16.482 -3.114 -1.861 1.00 0.00 H new ATOM 0 HB3 SER A 89 -16.201 -4.569 -2.795 1.00 0.00 H new ATOM 0 HG SER A 89 -17.121 -5.018 -0.726 1.00 0.00 H new ATOM 1062 N MET A 90 -13.346 -5.472 -3.312 1.00 0.00 N ATOM 1063 CA MET A 90 -12.458 -6.639 -3.580 1.00 0.00 C ATOM 1064 C MET A 90 -10.984 -6.273 -3.373 1.00 0.00 C ATOM 1065 O MET A 90 -10.141 -7.149 -3.149 1.00 0.00 O ATOM 1066 CB MET A 90 -12.685 -7.175 -5.013 1.00 0.00 C ATOM 1067 CG MET A 90 -14.072 -7.785 -5.244 1.00 0.00 C ATOM 1068 SD MET A 90 -15.412 -6.616 -4.944 1.00 0.00 S ATOM 1069 CE MET A 90 -16.429 -7.506 -3.780 1.00 0.00 C ATOM 0 H MET A 90 -13.810 -5.116 -4.147 1.00 0.00 H new ATOM 0 HA MET A 90 -12.713 -7.424 -2.868 1.00 0.00 H new ATOM 0 HB2 MET A 90 -12.536 -6.360 -5.721 1.00 0.00 H new ATOM 0 HB3 MET A 90 -11.928 -7.929 -5.231 1.00 0.00 H new ATOM 0 HG2 MET A 90 -14.137 -8.149 -6.269 1.00 0.00 H new ATOM 0 HG3 MET A 90 -14.197 -8.649 -4.591 1.00 0.00 H new ATOM 0 HE1 MET A 90 -17.096 -6.809 -3.272 1.00 0.00 H new ATOM 0 HE2 MET A 90 -17.020 -8.253 -4.310 1.00 0.00 H new ATOM 0 HE3 MET A 90 -15.793 -8.001 -3.046 1.00 0.00 H new ATOM 1079 N HIS A 91 -10.703 -4.959 -3.449 1.00 0.00 N ATOM 1080 CA HIS A 91 -9.392 -4.372 -3.138 1.00 0.00 C ATOM 1081 C HIS A 91 -9.090 -4.507 -1.628 1.00 0.00 C ATOM 1082 O HIS A 91 -7.935 -4.429 -1.217 1.00 0.00 O ATOM 1083 CB HIS A 91 -9.379 -2.887 -3.585 1.00 0.00 C ATOM 1084 CG HIS A 91 -8.034 -2.216 -3.526 1.00 0.00 C ATOM 1085 ND1 HIS A 91 -7.567 -1.548 -2.411 1.00 0.00 N ATOM 1086 CD2 HIS A 91 -7.059 -2.109 -4.452 1.00 0.00 C ATOM 1087 CE1 HIS A 91 -6.370 -1.068 -2.656 1.00 0.00 C ATOM 1088 NE2 HIS A 91 -6.041 -1.388 -3.886 1.00 0.00 N ATOM 0 H HIS A 91 -11.395 -4.266 -3.734 1.00 0.00 H new ATOM 0 HA HIS A 91 -8.611 -4.906 -3.679 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.753 -2.828 -4.607 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.074 -2.329 -2.958 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.077 -2.516 -5.452 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -5.760 -0.506 -1.964 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -5.166 -1.139 -4.347 1.00 0.00 H new ATOM 1097 N ALA A 92 -10.152 -4.681 -0.815 1.00 0.00 N ATOM 1098 CA ALA A 92 -10.044 -4.988 0.629 1.00 0.00 C ATOM 1099 C ALA A 92 -10.068 -6.516 0.882 1.00 0.00 C ATOM 1100 O ALA A 92 -9.466 -6.988 1.849 1.00 0.00 O ATOM 1101 CB ALA A 92 -11.173 -4.296 1.411 1.00 0.00 C ATOM 0 H ALA A 92 -11.116 -4.612 -1.143 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.087 -4.605 0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.079 -4.532 2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.104 -3.217 1.272 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.138 -4.648 1.045 1.00 0.00 H new ATOM 1107 N PHE A 93 -10.767 -7.282 0.003 1.00 0.00 N ATOM 1108 CA PHE A 93 -10.890 -8.764 0.136 1.00 0.00 C ATOM 1109 C PHE A 93 -9.589 -9.477 -0.270 1.00 0.00 C ATOM 1110 O PHE A 93 -9.353 -10.612 0.155 1.00 0.00 O ATOM 1111 CB PHE A 93 -12.080 -9.320 -0.711 1.00 0.00 C ATOM 1112 CG PHE A 93 -13.465 -9.033 -0.122 1.00 0.00 C ATOM 1113 CD1 PHE A 93 -13.865 -9.639 1.060 1.00 0.00 C ATOM 1114 CD2 PHE A 93 -14.355 -8.156 -0.737 1.00 0.00 C ATOM 1115 CE1 PHE A 93 -15.105 -9.379 1.604 1.00 0.00 C ATOM 1116 CE2 PHE A 93 -15.595 -7.897 -0.187 1.00 0.00 C ATOM 1117 CZ PHE A 93 -15.968 -8.507 0.984 1.00 0.00 C ATOM 0 H PHE A 93 -11.255 -6.900 -0.807 1.00 0.00 H new ATOM 0 HA PHE A 93 -11.086 -8.968 1.189 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -12.029 -8.892 -1.712 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -11.961 -10.398 -0.819 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -13.196 -10.323 1.561 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -14.071 -7.671 -1.659 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -15.400 -9.864 2.523 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -16.272 -7.214 -0.679 1.00 0.00 H new ATOM 0 HZ PHE A 93 -16.936 -8.303 1.417 1.00 0.00 H new ATOM 1127 N CYS A 94 -8.759 -8.808 -1.105 1.00 0.00 N ATOM 1128 CA CYS A 94 -7.483 -9.362 -1.572 1.00 0.00 C ATOM 1129 C CYS A 94 -6.475 -9.425 -0.409 1.00 0.00 C ATOM 1130 O CYS A 94 -5.899 -8.406 -0.008 1.00 0.00 O ATOM 1131 CB CYS A 94 -6.932 -8.541 -2.765 1.00 0.00 C ATOM 1132 SG CYS A 94 -6.623 -6.801 -2.405 1.00 0.00 S ATOM 0 H CYS A 94 -8.961 -7.876 -1.467 1.00 0.00 H new ATOM 0 HA CYS A 94 -7.648 -10.379 -1.928 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -6.003 -8.998 -3.104 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -7.640 -8.607 -3.591 1.00 0.00 H new ATOM 0 HG CYS A 94 -6.125 -6.687 -1.210 1.00 0.00 H new ATOM 1138 N VAL A 95 -6.316 -10.634 0.151 1.00 0.00 N ATOM 1139 CA VAL A 95 -5.364 -10.917 1.240 1.00 0.00 C ATOM 1140 C VAL A 95 -3.911 -10.786 0.726 1.00 0.00 C ATOM 1141 O VAL A 95 -2.996 -10.403 1.465 1.00 0.00 O ATOM 1142 CB VAL A 95 -5.607 -12.356 1.833 1.00 0.00 C ATOM 1143 CG1 VAL A 95 -4.633 -12.667 3.003 1.00 0.00 C ATOM 1144 CG2 VAL A 95 -7.094 -12.537 2.264 1.00 0.00 C ATOM 0 H VAL A 95 -6.850 -11.452 -0.142 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.523 -10.188 2.035 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.398 -13.078 1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.832 -13.668 3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.605 -12.613 2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.778 -11.938 3.801 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.236 -13.539 2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.345 -11.798 3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.743 -12.401 1.399 1.00 0.00 H new ATOM 1154 N GLY A 96 -3.725 -11.097 -0.563 1.00 0.00 N ATOM 1155 CA GLY A 96 -2.436 -10.943 -1.216 1.00 0.00 C ATOM 1156 C GLY A 96 -2.446 -11.536 -2.607 1.00 0.00 C ATOM 1157 O GLY A 96 -3.513 -11.721 -3.199 1.00 0.00 O ATOM 0 H GLY A 96 -4.461 -11.458 -1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.179 -9.885 -1.272 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.664 -11.427 -0.618 1.00 0.00 H new ATOM 1161 N GLN A 97 -1.252 -11.816 -3.125 1.00 0.00 N ATOM 1162 CA GLN A 97 -1.058 -12.475 -4.420 1.00 0.00 C ATOM 1163 C GLN A 97 -0.692 -13.938 -4.165 1.00 0.00 C ATOM 1164 O GLN A 97 0.150 -14.220 -3.308 1.00 0.00 O ATOM 1165 CB GLN A 97 0.070 -11.763 -5.210 1.00 0.00 C ATOM 1166 CG GLN A 97 0.332 -12.318 -6.627 1.00 0.00 C ATOM 1167 CD GLN A 97 1.509 -11.644 -7.340 1.00 0.00 C ATOM 1168 OE1 GLN A 97 1.821 -10.483 -7.097 1.00 0.00 O ATOM 1169 NE2 GLN A 97 2.162 -12.372 -8.231 1.00 0.00 N ATOM 0 H GLN A 97 -0.377 -11.589 -2.652 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.972 -12.423 -5.012 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -0.178 -10.705 -5.292 1.00 0.00 H new ATOM 0 HB3 GLN A 97 0.993 -11.831 -4.634 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.524 -13.389 -6.559 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.568 -12.193 -7.230 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.877 -13.335 -8.410 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.950 -11.970 -8.739 1.00 0.00 H new ATOM 1178 N TYR A 98 -1.331 -14.856 -4.894 1.00 0.00 N ATOM 1179 CA TYR A 98 -1.034 -16.286 -4.797 1.00 0.00 C ATOM 1180 C TYR A 98 0.282 -16.611 -5.520 1.00 0.00 C ATOM 1181 O TYR A 98 0.484 -16.210 -6.669 1.00 0.00 O ATOM 1182 CB TYR A 98 -2.186 -17.129 -5.386 1.00 0.00 C ATOM 1183 CG TYR A 98 -1.943 -18.656 -5.318 1.00 0.00 C ATOM 1184 CD1 TYR A 98 -1.976 -19.334 -4.101 1.00 0.00 C ATOM 1185 CD2 TYR A 98 -1.676 -19.407 -6.472 1.00 0.00 C ATOM 1186 CE1 TYR A 98 -1.746 -20.693 -4.030 1.00 0.00 C ATOM 1187 CE2 TYR A 98 -1.452 -20.766 -6.398 1.00 0.00 C ATOM 1188 CZ TYR A 98 -1.491 -21.402 -5.179 1.00 0.00 C ATOM 1189 OH TYR A 98 -1.267 -22.761 -5.116 1.00 0.00 O ATOM 0 H TYR A 98 -2.065 -14.630 -5.565 1.00 0.00 H new ATOM 0 HA TYR A 98 -0.928 -16.538 -3.742 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.106 -16.893 -4.851 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.339 -16.841 -6.426 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.186 -18.785 -3.195 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.645 -18.914 -7.432 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.766 -21.197 -3.075 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -1.246 -21.330 -7.296 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.104 -23.108 -6.018 1.00 0.00 H new ATOM 1199 N LEU A 99 1.153 -17.347 -4.829 1.00 0.00 N ATOM 1200 CA LEU A 99 2.394 -17.885 -5.382 1.00 0.00 C ATOM 1201 C LEU A 99 2.365 -19.411 -5.233 1.00 0.00 C ATOM 1202 O LEU A 99 1.947 -19.926 -4.198 1.00 0.00 O ATOM 1203 CB LEU A 99 3.611 -17.279 -4.637 1.00 0.00 C ATOM 1204 CG LEU A 99 5.022 -17.793 -5.084 1.00 0.00 C ATOM 1205 CD1 LEU A 99 5.315 -17.468 -6.574 1.00 0.00 C ATOM 1206 CD2 LEU A 99 6.127 -17.240 -4.161 1.00 0.00 C ATOM 0 H LEU A 99 1.011 -17.590 -3.849 1.00 0.00 H new ATOM 0 HA LEU A 99 2.486 -17.625 -6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.585 -16.197 -4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.495 -17.479 -3.572 1.00 0.00 H new ATOM 0 HG LEU A 99 5.016 -18.879 -4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.303 -17.842 -6.841 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.564 -17.944 -7.205 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.283 -16.389 -6.724 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.097 -17.611 -4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.123 -16.151 -4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.943 -17.567 -3.137 1.00 0.00 H new ATOM 1218 N GLU A 100 2.745 -20.129 -6.291 1.00 0.00 N ATOM 1219 CA GLU A 100 2.929 -21.578 -6.228 1.00 0.00 C ATOM 1220 C GLU A 100 4.361 -21.878 -5.729 1.00 0.00 C ATOM 1221 O GLU A 100 5.312 -21.216 -6.183 1.00 0.00 O ATOM 1222 CB GLU A 100 2.711 -22.197 -7.626 1.00 0.00 C ATOM 1223 CG GLU A 100 1.332 -21.914 -8.241 1.00 0.00 C ATOM 1224 CD GLU A 100 1.261 -22.277 -9.731 1.00 0.00 C ATOM 1225 OE1 GLU A 100 1.746 -21.482 -10.572 1.00 0.00 O ATOM 1226 OE2 GLU A 100 0.734 -23.355 -10.073 1.00 0.00 O ATOM 0 H GLU A 100 2.932 -19.725 -7.209 1.00 0.00 H new ATOM 0 HA GLU A 100 2.204 -22.014 -5.540 1.00 0.00 H new ATOM 0 HB2 GLU A 100 3.480 -21.819 -8.300 1.00 0.00 H new ATOM 0 HB3 GLU A 100 2.849 -23.276 -7.557 1.00 0.00 H new ATOM 0 HG2 GLU A 100 0.574 -22.478 -7.698 1.00 0.00 H new ATOM 0 HG3 GLU A 100 1.093 -20.858 -8.117 1.00 0.00 H new ATOM 1233 N PRO A 101 4.538 -22.883 -4.812 1.00 0.00 N ATOM 1234 CA PRO A 101 5.882 -23.318 -4.335 1.00 0.00 C ATOM 1235 C PRO A 101 6.780 -23.852 -5.484 1.00 0.00 C ATOM 1236 O PRO A 101 8.010 -23.874 -5.373 1.00 0.00 O ATOM 1237 CB PRO A 101 5.554 -24.432 -3.304 1.00 0.00 C ATOM 1238 CG PRO A 101 4.181 -24.899 -3.682 1.00 0.00 C ATOM 1239 CD PRO A 101 3.458 -23.659 -4.146 1.00 0.00 C ATOM 0 HA PRO A 101 6.455 -22.493 -3.911 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.278 -25.245 -3.354 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.576 -24.048 -2.284 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.223 -25.649 -4.471 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.673 -25.357 -2.834 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.646 -23.897 -4.834 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.019 -23.110 -3.313 1.00 0.00 H new ATOM 1247 N ASP A 102 6.133 -24.288 -6.578 1.00 0.00 N ATOM 1248 CA ASP A 102 6.799 -24.768 -7.797 1.00 0.00 C ATOM 1249 C ASP A 102 7.153 -23.588 -8.732 1.00 0.00 C ATOM 1250 O ASP A 102 8.212 -23.586 -9.365 1.00 0.00 O ATOM 1251 CB ASP A 102 5.863 -25.775 -8.511 1.00 0.00 C ATOM 1252 CG ASP A 102 6.376 -26.225 -9.890 1.00 0.00 C ATOM 1253 OD1 ASP A 102 7.308 -27.054 -9.948 1.00 0.00 O ATOM 1254 OD2 ASP A 102 5.845 -25.761 -10.927 1.00 0.00 O ATOM 0 H ASP A 102 5.115 -24.317 -6.639 1.00 0.00 H new ATOM 0 HA ASP A 102 7.733 -25.263 -7.531 1.00 0.00 H new ATOM 0 HB2 ASP A 102 5.736 -26.652 -7.876 1.00 0.00 H new ATOM 0 HB3 ASP A 102 4.879 -25.322 -8.629 1.00 0.00 H new ATOM 1259 N GLN A 103 6.242 -22.584 -8.788 1.00 0.00 N ATOM 1260 CA GLN A 103 6.335 -21.430 -9.728 1.00 0.00 C ATOM 1261 C GLN A 103 7.585 -20.586 -9.451 1.00 0.00 C ATOM 1262 O GLN A 103 8.262 -20.146 -10.380 1.00 0.00 O ATOM 1263 CB GLN A 103 5.064 -20.532 -9.619 1.00 0.00 C ATOM 1264 CG GLN A 103 5.002 -19.347 -10.602 1.00 0.00 C ATOM 1265 CD GLN A 103 4.982 -19.766 -12.081 1.00 0.00 C ATOM 1266 OE1 GLN A 103 5.554 -19.088 -12.935 1.00 0.00 O ATOM 1267 NE2 GLN A 103 4.278 -20.849 -12.410 1.00 0.00 N ATOM 0 H GLN A 103 5.421 -22.548 -8.184 1.00 0.00 H new ATOM 0 HA GLN A 103 6.406 -21.834 -10.738 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.185 -21.157 -9.775 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.002 -20.142 -8.603 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.110 -18.757 -10.389 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.861 -18.699 -10.430 1.00 0.00 H new ATOM 0 HE21 GLN A 103 3.813 -21.395 -11.685 1.00 0.00 H new ATOM 0 HE22 GLN A 103 4.204 -21.132 -13.387 1.00 0.00 H new