USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 554 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 Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0.975 K(o=0.97,f=-2.2!) USER MOD Single : A 104 GLN : amide:sc=-0.00838 K(o=-0.0084,f=-0.56) USER MOD Single : A 106 SER OG : rot 60:sc= -0.9 USER MOD Single : A 107 ASN :FLIP amide:sc= -5.5! C(o=-6.3!,f=-5.5!) USER MOD Single : A 109 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.038) USER MOD Single : A 112 HIS : no HD1:sc= -3.18 X(o=-3.2,f=-3.3!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 177:sc= -1.23 (180deg=-1.35) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -0.366 K(o=-0.37,f=-1.7!) USER MOD Single : A 129 LYS NZ :NH3+ 167:sc=-0.00303 (180deg=-0.0876) USER MOD Single : A 131 THR OG1 : rot 65:sc= 1.21 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 ASN :FLIP amide:sc= -2.77 F(o=-4.4,f=-2.8) USER MOD Single : A 141 GLN : amide:sc= -1.76 X(o=-1.8,f=-1.4) USER MOD Single : A 143 GLN : amide:sc= -0.497 X(o=-0.5,f=-0.32) USER MOD Single : A 144 ASN : amide:sc= 0.696 K(o=0.7,f=-0.13) USER MOD Single : A 147 GLN :FLIP amide:sc= -2.36 F(o=-4.7,f=-2.4) USER MOD Single : A 148 MET CE :methyl -155:sc= -0.235 (180deg=-1.02) USER MOD Single : A 150 HIS : no HD1:sc= -1.83 X(o=-1.8,f=-1.5) USER MOD Single : A 151 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 152 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 GLN : amide:sc= -0.114 K(o=-0.11,f=-1) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 96 1.130 12.187 -2.084 1.00 0.00 N ATOM 60 CA GLY A 96 1.480 11.147 -1.133 1.00 0.00 C ATOM 61 C GLY A 96 0.368 10.134 -0.948 1.00 0.00 C ATOM 62 O GLY A 96 -0.811 10.468 -1.067 1.00 0.00 O ATOM 0 HA2 GLY A 96 2.380 10.636 -1.473 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.716 11.603 -0.171 1.00 0.00 H new ATOM 66 N ILE A 97 0.743 8.893 -0.657 1.00 0.00 N ATOM 67 CA ILE A 97 -0.232 7.828 -0.455 1.00 0.00 C ATOM 68 C ILE A 97 0.284 6.791 0.537 1.00 0.00 C ATOM 69 O ILE A 97 1.493 6.606 0.686 1.00 0.00 O ATOM 70 CB ILE A 97 -0.580 7.126 -1.780 1.00 0.00 C ATOM 71 CG1 ILE A 97 0.693 6.640 -2.476 1.00 0.00 C ATOM 72 CG2 ILE A 97 -1.361 8.064 -2.688 1.00 0.00 C ATOM 73 CD1 ILE A 97 0.427 5.788 -3.697 1.00 0.00 C ATOM 0 H ILE A 97 1.715 8.600 -0.556 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.131 8.295 -0.053 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.205 6.260 -1.561 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.290 7.504 -2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.289 6.067 -1.766 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.599 7.553 -3.621 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.284 8.365 -2.193 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.760 8.948 -2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.374 5.479 -4.139 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.143 4.905 -3.407 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.143 6.365 -4.426 1.00 0.00 H new ATOM 85 N LEU A 98 -0.639 6.116 1.212 1.00 0.00 N ATOM 86 CA LEU A 98 -0.279 5.095 2.190 1.00 0.00 C ATOM 87 C LEU A 98 -0.572 3.698 1.651 1.00 0.00 C ATOM 88 O LEU A 98 -1.662 3.433 1.145 1.00 0.00 O ATOM 89 CB LEU A 98 -1.040 5.320 3.497 1.00 0.00 C ATOM 90 CG LEU A 98 -0.715 6.611 4.249 1.00 0.00 C ATOM 91 CD1 LEU A 98 -1.468 6.663 5.570 1.00 0.00 C ATOM 92 CD2 LEU A 98 0.784 6.729 4.483 1.00 0.00 C ATOM 0 H LEU A 98 -1.643 6.257 1.100 1.00 0.00 H new ATOM 0 HA LEU A 98 0.791 5.173 2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.108 5.309 3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.841 4.477 4.159 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.035 7.455 3.638 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.224 7.589 6.091 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.541 6.625 5.379 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.179 5.812 6.187 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.997 7.654 5.019 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.128 5.880 5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.302 6.738 3.524 1.00 0.00 H new ATOM 104 N VAL A 99 0.408 2.808 1.765 1.00 0.00 N ATOM 105 CA VAL A 99 0.255 1.437 1.293 1.00 0.00 C ATOM 106 C VAL A 99 0.095 0.468 2.460 1.00 0.00 C ATOM 107 O VAL A 99 1.073 -0.092 2.955 1.00 0.00 O ATOM 108 CB VAL A 99 1.459 0.999 0.438 1.00 0.00 C ATOM 109 CG1 VAL A 99 1.491 -0.515 0.296 1.00 0.00 C ATOM 110 CG2 VAL A 99 1.415 1.671 -0.926 1.00 0.00 C ATOM 0 H VAL A 99 1.317 3.012 2.180 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.645 1.413 0.679 1.00 0.00 H new ATOM 0 HB VAL A 99 2.374 1.311 0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.348 -0.805 -0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.574 -0.971 1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.574 -0.855 -0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.273 1.351 -1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.495 1.391 -1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.445 2.753 -0.800 1.00 0.00 H new ATOM 120 N LYS A 100 -1.145 0.275 2.895 1.00 0.00 N ATOM 121 CA LYS A 100 -1.436 -0.628 4.003 1.00 0.00 C ATOM 122 C LYS A 100 -1.860 -2.000 3.490 1.00 0.00 C ATOM 123 O LYS A 100 -2.271 -2.143 2.339 1.00 0.00 O ATOM 124 CB LYS A 100 -2.535 -0.041 4.891 1.00 0.00 C ATOM 125 CG LYS A 100 -2.200 1.332 5.448 1.00 0.00 C ATOM 126 CD LYS A 100 -3.052 1.665 6.661 1.00 0.00 C ATOM 127 CE LYS A 100 -2.775 3.072 7.167 1.00 0.00 C ATOM 128 NZ LYS A 100 -3.730 3.475 8.236 1.00 0.00 N ATOM 0 H LYS A 100 -1.966 0.732 2.497 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.526 -0.746 4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.458 0.025 4.316 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.724 -0.724 5.720 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.146 1.367 5.722 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.354 2.086 4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.107 1.571 6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.853 0.946 7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.756 3.126 7.551 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.841 3.776 6.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.508 4.440 8.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.700 3.448 7.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.650 2.819 9.039 1.00 0.00 H new ATOM 142 N ASN A 101 -1.758 -3.007 4.352 1.00 0.00 N ATOM 143 CA ASN A 101 -2.132 -4.368 3.986 1.00 0.00 C ATOM 144 C ASN A 101 -1.092 -4.987 3.057 1.00 0.00 C ATOM 145 O ASN A 101 -1.432 -5.569 2.026 1.00 0.00 O ATOM 146 CB ASN A 101 -3.505 -4.377 3.310 1.00 0.00 C ATOM 147 CG ASN A 101 -4.259 -5.671 3.550 1.00 0.00 C ATOM 148 OD1 ASN A 101 -3.950 -6.420 4.477 1.00 0.00 O ATOM 149 ND2 ASN A 101 -5.253 -5.940 2.712 1.00 0.00 N ATOM 0 H ASN A 101 -1.419 -2.906 5.309 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.179 -4.963 4.898 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -4.096 -3.541 3.683 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -3.380 -4.226 2.238 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.796 -6.797 2.823 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -5.474 -5.290 1.958 1.00 0.00 H new ATOM 156 N LEU A 102 0.176 -4.857 3.429 1.00 0.00 N ATOM 157 CA LEU A 102 1.268 -5.404 2.630 1.00 0.00 C ATOM 158 C LEU A 102 1.614 -6.821 3.079 1.00 0.00 C ATOM 159 O LEU A 102 1.350 -7.221 4.213 1.00 0.00 O ATOM 160 CB LEU A 102 2.502 -4.508 2.735 1.00 0.00 C ATOM 161 CG LEU A 102 2.482 -3.235 1.887 1.00 0.00 C ATOM 162 CD1 LEU A 102 3.676 -2.353 2.219 1.00 0.00 C ATOM 163 CD2 LEU A 102 2.469 -3.583 0.405 1.00 0.00 C ATOM 0 H LEU A 102 0.474 -4.378 4.279 1.00 0.00 H new ATOM 0 HA LEU A 102 0.942 -5.441 1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.631 -4.223 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.377 -5.094 2.454 1.00 0.00 H new ATOM 0 HG LEU A 102 1.572 -2.681 2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 102 3.645 -1.452 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.642 -2.076 3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.598 -2.898 2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.455 -2.666 -0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.361 -4.159 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.582 -4.174 0.178 1.00 0.00 H new ATOM 175 N PRO A 103 2.221 -7.598 2.169 1.00 0.00 N ATOM 176 CA PRO A 103 2.619 -8.980 2.449 1.00 0.00 C ATOM 177 C PRO A 103 3.779 -9.061 3.436 1.00 0.00 C ATOM 178 O PRO A 103 4.089 -8.088 4.123 1.00 0.00 O ATOM 179 CB PRO A 103 3.046 -9.511 1.078 1.00 0.00 C ATOM 180 CG PRO A 103 3.453 -8.299 0.313 1.00 0.00 C ATOM 181 CD PRO A 103 2.566 -7.186 0.798 1.00 0.00 C ATOM 0 HA PRO A 103 1.813 -9.550 2.910 1.00 0.00 H new ATOM 0 HB2 PRO A 103 3.870 -10.219 1.167 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.228 -10.035 0.584 1.00 0.00 H new ATOM 0 HG2 PRO A 103 4.503 -8.064 0.485 1.00 0.00 H new ATOM 0 HG3 PRO A 103 3.332 -8.455 -0.759 1.00 0.00 H new ATOM 0 HD2 PRO A 103 3.082 -6.226 0.785 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.678 -7.079 0.175 1.00 0.00 H new ATOM 189 N GLN A 104 4.414 -10.227 3.501 1.00 0.00 N ATOM 190 CA GLN A 104 5.540 -10.433 4.405 1.00 0.00 C ATOM 191 C GLN A 104 6.865 -10.199 3.687 1.00 0.00 C ATOM 192 O GLN A 104 7.864 -9.839 4.310 1.00 0.00 O ATOM 193 CB GLN A 104 5.503 -11.848 4.985 1.00 0.00 C ATOM 194 CG GLN A 104 6.653 -12.148 5.933 1.00 0.00 C ATOM 195 CD GLN A 104 7.032 -13.615 5.945 1.00 0.00 C ATOM 196 OE1 GLN A 104 6.224 -14.480 5.606 1.00 0.00 O ATOM 197 NE2 GLN A 104 8.268 -13.904 6.336 1.00 0.00 N ATOM 0 H GLN A 104 4.169 -11.042 2.939 1.00 0.00 H new ATOM 0 HA GLN A 104 5.457 -9.712 5.218 1.00 0.00 H new ATOM 0 HB2 GLN A 104 4.561 -11.990 5.514 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.521 -12.568 4.167 1.00 0.00 H new ATOM 0 HG2 GLN A 104 7.521 -11.555 5.644 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.377 -11.840 6.941 1.00 0.00 H new ATOM 0 HE21 GLN A 104 8.905 -13.155 6.608 1.00 0.00 H new ATOM 0 HE22 GLN A 104 8.580 -14.875 6.364 1.00 0.00 H new ATOM 206 N ASP A 105 6.865 -10.407 2.375 1.00 0.00 N ATOM 207 CA ASP A 105 8.068 -10.218 1.572 1.00 0.00 C ATOM 208 C ASP A 105 7.951 -8.969 0.704 1.00 0.00 C ATOM 209 O ASP A 105 8.520 -8.902 -0.385 1.00 0.00 O ATOM 210 CB ASP A 105 8.317 -11.444 0.692 1.00 0.00 C ATOM 211 CG ASP A 105 8.115 -12.746 1.442 1.00 0.00 C ATOM 212 OD1 ASP A 105 8.772 -12.937 2.488 1.00 0.00 O ATOM 213 OD2 ASP A 105 7.300 -13.574 0.985 1.00 0.00 O ATOM 0 H ASP A 105 6.046 -10.706 1.845 1.00 0.00 H new ATOM 0 HA ASP A 105 8.912 -10.090 2.250 1.00 0.00 H new ATOM 0 HB2 ASP A 105 7.645 -11.414 -0.166 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.334 -11.407 0.302 1.00 0.00 H new ATOM 218 N SER A 106 7.208 -7.982 1.194 1.00 0.00 N ATOM 219 CA SER A 106 7.012 -6.736 0.461 1.00 0.00 C ATOM 220 C SER A 106 8.338 -6.011 0.258 1.00 0.00 C ATOM 221 O SER A 106 9.300 -6.237 0.991 1.00 0.00 O ATOM 222 CB SER A 106 6.030 -5.830 1.206 1.00 0.00 C ATOM 223 OG SER A 106 5.497 -4.839 0.346 1.00 0.00 O ATOM 0 H SER A 106 6.732 -8.021 2.095 1.00 0.00 H new ATOM 0 HA SER A 106 6.598 -6.980 -0.517 1.00 0.00 H new ATOM 0 HB2 SER A 106 5.220 -6.430 1.621 1.00 0.00 H new ATOM 0 HB3 SER A 106 6.536 -5.353 2.046 1.00 0.00 H new ATOM 0 HG SER A 106 5.025 -5.270 -0.397 1.00 0.00 H new ATOM 229 N ASN A 107 8.381 -5.137 -0.742 1.00 0.00 N ATOM 230 CA ASN A 107 9.589 -4.377 -1.042 1.00 0.00 C ATOM 231 C ASN A 107 9.268 -3.167 -1.915 1.00 0.00 C ATOM 232 O ASN A 107 8.241 -3.132 -2.593 1.00 0.00 O ATOM 233 CB ASN A 107 10.616 -5.269 -1.744 1.00 0.00 C ATOM 234 CG ASN A 107 10.905 -6.539 -0.968 1.00 0.00 C ATOM 235 OD1 ASN A 107 10.366 -7.656 -1.440 1.00 0.00 O flip ATOM 236 ND2 ASN A 107 11.606 -6.514 0.044 1.00 0.00 N flip ATOM 0 H ASN A 107 7.593 -4.937 -1.358 1.00 0.00 H new ATOM 0 HA ASN A 107 10.009 -4.022 -0.101 1.00 0.00 H new ATOM 0 HB2 ASN A 107 10.249 -5.529 -2.737 1.00 0.00 H new ATOM 0 HB3 ASN A 107 11.543 -4.712 -1.882 1.00 0.00 H new ATOM 0 HD21 ASN A 107 12.000 -5.631 0.370 1.00 0.00 H new ATOM 0 HD22 ASN A 107 11.793 -7.376 0.556 1.00 0.00 H new ATOM 243 N CYS A 108 10.154 -2.177 -1.893 1.00 0.00 N ATOM 244 CA CYS A 108 9.967 -0.966 -2.682 1.00 0.00 C ATOM 245 C CYS A 108 10.077 -1.265 -4.174 1.00 0.00 C ATOM 246 O CYS A 108 9.156 -0.988 -4.942 1.00 0.00 O ATOM 247 CB CYS A 108 11.000 0.091 -2.285 1.00 0.00 C ATOM 248 SG CYS A 108 10.782 1.695 -3.121 1.00 0.00 S ATOM 0 H CYS A 108 11.009 -2.190 -1.337 1.00 0.00 H new ATOM 0 HA CYS A 108 8.967 -0.582 -2.480 1.00 0.00 H new ATOM 0 HB2 CYS A 108 10.950 0.245 -1.207 1.00 0.00 H new ATOM 0 HB3 CYS A 108 11.997 -0.290 -2.507 1.00 0.00 H new ATOM 253 N GLN A 109 11.210 -1.832 -4.576 1.00 0.00 N ATOM 254 CA GLN A 109 11.441 -2.169 -5.976 1.00 0.00 C ATOM 255 C GLN A 109 10.184 -2.758 -6.608 1.00 0.00 C ATOM 256 O GLN A 109 9.885 -2.499 -7.774 1.00 0.00 O ATOM 257 CB GLN A 109 12.600 -3.159 -6.100 1.00 0.00 C ATOM 258 CG GLN A 109 12.781 -3.712 -7.505 1.00 0.00 C ATOM 259 CD GLN A 109 13.380 -5.104 -7.512 1.00 0.00 C ATOM 260 OE1 GLN A 109 14.397 -5.351 -8.161 1.00 0.00 O ATOM 261 NE2 GLN A 109 12.753 -6.023 -6.787 1.00 0.00 N ATOM 0 H GLN A 109 11.982 -2.068 -3.952 1.00 0.00 H new ATOM 0 HA GLN A 109 11.698 -1.252 -6.507 1.00 0.00 H new ATOM 0 HB2 GLN A 109 13.522 -2.667 -5.791 1.00 0.00 H new ATOM 0 HB3 GLN A 109 12.435 -3.987 -5.411 1.00 0.00 H new ATOM 0 HG2 GLN A 109 11.815 -3.734 -8.010 1.00 0.00 H new ATOM 0 HG3 GLN A 109 13.424 -3.041 -8.075 1.00 0.00 H new ATOM 0 HE21 GLN A 109 11.913 -5.775 -6.264 1.00 0.00 H new ATOM 0 HE22 GLN A 109 13.111 -6.977 -6.753 1.00 0.00 H new ATOM 270 N GLU A 110 9.452 -3.551 -5.832 1.00 0.00 N ATOM 271 CA GLU A 110 8.228 -4.177 -6.317 1.00 0.00 C ATOM 272 C GLU A 110 7.130 -3.138 -6.523 1.00 0.00 C ATOM 273 O GLU A 110 6.456 -3.126 -7.553 1.00 0.00 O ATOM 274 CB GLU A 110 7.753 -5.250 -5.335 1.00 0.00 C ATOM 275 CG GLU A 110 6.987 -6.384 -5.996 1.00 0.00 C ATOM 276 CD GLU A 110 7.650 -6.870 -7.270 1.00 0.00 C ATOM 277 OE1 GLU A 110 8.832 -7.267 -7.211 1.00 0.00 O ATOM 278 OE2 GLU A 110 6.984 -6.854 -8.327 1.00 0.00 O ATOM 0 H GLU A 110 9.686 -3.775 -4.865 1.00 0.00 H new ATOM 0 HA GLU A 110 8.446 -4.645 -7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.617 -5.662 -4.814 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.118 -4.785 -4.581 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.900 -7.215 -5.296 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.974 -6.050 -6.222 1.00 0.00 H new ATOM 285 N VAL A 111 6.955 -2.267 -5.534 1.00 0.00 N ATOM 286 CA VAL A 111 5.940 -1.223 -5.605 1.00 0.00 C ATOM 287 C VAL A 111 6.248 -0.231 -6.721 1.00 0.00 C ATOM 288 O VAL A 111 5.344 0.260 -7.398 1.00 0.00 O ATOM 289 CB VAL A 111 5.824 -0.460 -4.272 1.00 0.00 C ATOM 290 CG1 VAL A 111 4.806 0.664 -4.386 1.00 0.00 C ATOM 291 CG2 VAL A 111 5.456 -1.412 -3.144 1.00 0.00 C ATOM 0 H VAL A 111 7.503 -2.264 -4.674 1.00 0.00 H new ATOM 0 HA VAL A 111 4.992 -1.718 -5.815 1.00 0.00 H new ATOM 0 HB VAL A 111 6.793 -0.017 -4.042 1.00 0.00 H new ATOM 0 HG11 VAL A 111 4.738 1.191 -3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 111 5.118 1.360 -5.165 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.831 0.248 -4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 111 5.378 -0.856 -2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 111 4.500 -1.886 -3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 111 6.226 -2.177 -3.048 1.00 0.00 H new ATOM 301 N HIS A 112 7.532 0.060 -6.908 1.00 0.00 N ATOM 302 CA HIS A 112 7.961 0.993 -7.944 1.00 0.00 C ATOM 303 C HIS A 112 7.316 0.652 -9.284 1.00 0.00 C ATOM 304 O HIS A 112 6.589 1.463 -9.858 1.00 0.00 O ATOM 305 CB HIS A 112 9.484 0.974 -8.078 1.00 0.00 C ATOM 306 CG HIS A 112 10.176 1.964 -7.192 1.00 0.00 C ATOM 307 ND1 HIS A 112 11.417 2.492 -7.479 1.00 0.00 N ATOM 308 CD2 HIS A 112 9.792 2.523 -6.021 1.00 0.00 C ATOM 309 CE1 HIS A 112 11.767 3.332 -6.521 1.00 0.00 C ATOM 310 NE2 HIS A 112 10.798 3.369 -5.624 1.00 0.00 N ATOM 0 H HIS A 112 8.293 -0.337 -6.356 1.00 0.00 H new ATOM 0 HA HIS A 112 7.642 1.993 -7.652 1.00 0.00 H new ATOM 0 HB2 HIS A 112 9.848 -0.026 -7.845 1.00 0.00 H new ATOM 0 HB3 HIS A 112 9.752 1.177 -9.115 1.00 0.00 H new ATOM 0 HD2 HIS A 112 8.866 2.338 -5.496 1.00 0.00 H new ATOM 0 HE1 HIS A 112 12.689 3.893 -6.479 1.00 0.00 H new ATOM 0 HE2 HIS A 112 10.797 3.934 -4.775 1.00 0.00 H new ATOM 319 N ASP A 113 7.588 -0.552 -9.776 1.00 0.00 N ATOM 320 CA ASP A 113 7.034 -1.000 -11.048 1.00 0.00 C ATOM 321 C ASP A 113 5.518 -0.829 -11.072 1.00 0.00 C ATOM 322 O ASP A 113 4.951 -0.355 -12.058 1.00 0.00 O ATOM 323 CB ASP A 113 7.398 -2.464 -11.300 1.00 0.00 C ATOM 324 CG ASP A 113 8.784 -2.622 -11.895 1.00 0.00 C ATOM 325 OD1 ASP A 113 9.768 -2.579 -11.127 1.00 0.00 O ATOM 326 OD2 ASP A 113 8.884 -2.790 -13.128 1.00 0.00 O ATOM 0 H ASP A 113 8.188 -1.235 -9.313 1.00 0.00 H new ATOM 0 HA ASP A 113 7.463 -0.385 -11.839 1.00 0.00 H new ATOM 0 HB2 ASP A 113 7.344 -3.016 -10.361 1.00 0.00 H new ATOM 0 HB3 ASP A 113 6.664 -2.907 -11.973 1.00 0.00 H new ATOM 331 N LEU A 114 4.867 -1.218 -9.981 1.00 0.00 N ATOM 332 CA LEU A 114 3.416 -1.109 -9.877 1.00 0.00 C ATOM 333 C LEU A 114 2.958 0.323 -10.135 1.00 0.00 C ATOM 334 O LEU A 114 2.013 0.557 -10.889 1.00 0.00 O ATOM 335 CB LEU A 114 2.949 -1.564 -8.493 1.00 0.00 C ATOM 336 CG LEU A 114 1.512 -1.202 -8.117 1.00 0.00 C ATOM 337 CD1 LEU A 114 0.525 -2.059 -8.894 1.00 0.00 C ATOM 338 CD2 LEU A 114 1.296 -1.362 -6.619 1.00 0.00 C ATOM 0 H LEU A 114 5.321 -1.611 -9.156 1.00 0.00 H new ATOM 0 HA LEU A 114 2.972 -1.755 -10.634 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.057 -2.647 -8.433 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.618 -1.135 -7.747 1.00 0.00 H new ATOM 0 HG LEU A 114 1.340 -0.158 -8.379 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.493 -1.787 -8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.663 -1.894 -9.963 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.696 -3.111 -8.664 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.268 -1.100 -6.370 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.487 -2.396 -6.332 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.979 -0.705 -6.081 1.00 0.00 H new ATOM 350 N LEU A 115 3.635 1.278 -9.506 1.00 0.00 N ATOM 351 CA LEU A 115 3.299 2.688 -9.670 1.00 0.00 C ATOM 352 C LEU A 115 4.258 3.367 -10.643 1.00 0.00 C ATOM 353 O LEU A 115 4.749 4.465 -10.383 1.00 0.00 O ATOM 354 CB LEU A 115 3.337 3.402 -8.317 1.00 0.00 C ATOM 355 CG LEU A 115 2.216 3.048 -7.340 1.00 0.00 C ATOM 356 CD1 LEU A 115 2.496 3.642 -5.968 1.00 0.00 C ATOM 357 CD2 LEU A 115 0.874 3.532 -7.869 1.00 0.00 C ATOM 0 H LEU A 115 4.419 1.102 -8.878 1.00 0.00 H new ATOM 0 HA LEU A 115 2.291 2.751 -10.079 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.291 3.181 -7.839 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.311 4.477 -8.495 1.00 0.00 H new ATOM 0 HG LEU A 115 2.175 1.963 -7.242 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.687 3.380 -5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.437 3.246 -5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 115 2.565 4.727 -6.048 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.088 3.271 -7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.902 4.614 -7.997 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.669 3.058 -8.829 1.00 0.00 H new ATOM 369 N LYS A 116 4.518 2.706 -11.766 1.00 0.00 N ATOM 370 CA LYS A 116 5.415 3.246 -12.781 1.00 0.00 C ATOM 371 C LYS A 116 4.775 4.431 -13.498 1.00 0.00 C ATOM 372 O LYS A 116 5.468 5.342 -13.952 1.00 0.00 O ATOM 373 CB LYS A 116 5.782 2.161 -13.796 1.00 0.00 C ATOM 374 CG LYS A 116 4.578 1.526 -14.470 1.00 0.00 C ATOM 375 CD LYS A 116 4.990 0.673 -15.658 1.00 0.00 C ATOM 376 CE LYS A 116 3.832 -0.174 -16.164 1.00 0.00 C ATOM 377 NZ LYS A 116 4.038 -0.610 -17.573 1.00 0.00 N ATOM 0 H LYS A 116 4.120 1.795 -11.996 1.00 0.00 H new ATOM 0 HA LYS A 116 6.321 3.591 -12.283 1.00 0.00 H new ATOM 0 HB2 LYS A 116 6.429 2.593 -14.559 1.00 0.00 H new ATOM 0 HB3 LYS A 116 6.358 1.384 -13.293 1.00 0.00 H new ATOM 0 HG2 LYS A 116 4.038 0.912 -13.749 1.00 0.00 H new ATOM 0 HG3 LYS A 116 3.892 2.306 -14.801 1.00 0.00 H new ATOM 0 HD2 LYS A 116 5.350 1.316 -16.461 1.00 0.00 H new ATOM 0 HD3 LYS A 116 5.819 0.025 -15.372 1.00 0.00 H new ATOM 0 HE2 LYS A 116 3.717 -1.050 -15.526 1.00 0.00 H new ATOM 0 HE3 LYS A 116 2.906 0.397 -16.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.228 -1.185 -17.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 4.123 0.226 -18.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 4.908 -1.176 -17.638 1.00 0.00 H new ATOM 391 N ASP A 117 3.450 4.413 -13.594 1.00 0.00 N ATOM 392 CA ASP A 117 2.717 5.488 -14.253 1.00 0.00 C ATOM 393 C ASP A 117 3.022 6.833 -13.602 1.00 0.00 C ATOM 394 O ASP A 117 3.156 7.849 -14.285 1.00 0.00 O ATOM 395 CB ASP A 117 1.213 5.213 -14.203 1.00 0.00 C ATOM 396 CG ASP A 117 0.393 6.387 -14.701 1.00 0.00 C ATOM 397 OD1 ASP A 117 0.300 6.565 -15.934 1.00 0.00 O ATOM 398 OD2 ASP A 117 -0.156 7.126 -13.859 1.00 0.00 O ATOM 0 H ASP A 117 2.862 3.666 -13.224 1.00 0.00 H new ATOM 0 HA ASP A 117 3.038 5.528 -15.294 1.00 0.00 H new ATOM 0 HB2 ASP A 117 0.987 4.334 -14.806 1.00 0.00 H new ATOM 0 HB3 ASP A 117 0.923 4.980 -13.179 1.00 0.00 H new ATOM 403 N TYR A 118 3.131 6.833 -12.278 1.00 0.00 N ATOM 404 CA TYR A 118 3.417 8.054 -11.534 1.00 0.00 C ATOM 405 C TYR A 118 4.890 8.121 -11.144 1.00 0.00 C ATOM 406 O TYR A 118 5.581 7.103 -11.107 1.00 0.00 O ATOM 407 CB TYR A 118 2.542 8.130 -10.282 1.00 0.00 C ATOM 408 CG TYR A 118 1.093 7.776 -10.533 1.00 0.00 C ATOM 409 CD1 TYR A 118 0.665 6.455 -10.502 1.00 0.00 C ATOM 410 CD2 TYR A 118 0.153 8.763 -10.802 1.00 0.00 C ATOM 411 CE1 TYR A 118 -0.657 6.127 -10.732 1.00 0.00 C ATOM 412 CE2 TYR A 118 -1.171 8.445 -11.031 1.00 0.00 C ATOM 413 CZ TYR A 118 -1.571 7.125 -10.995 1.00 0.00 C ATOM 414 OH TYR A 118 -2.889 6.803 -11.224 1.00 0.00 O ATOM 0 H TYR A 118 3.026 6.001 -11.698 1.00 0.00 H new ATOM 0 HA TYR A 118 3.191 8.904 -12.178 1.00 0.00 H new ATOM 0 HB2 TYR A 118 2.946 7.457 -9.525 1.00 0.00 H new ATOM 0 HB3 TYR A 118 2.595 9.139 -9.873 1.00 0.00 H new ATOM 0 HD1 TYR A 118 1.378 5.671 -10.295 1.00 0.00 H new ATOM 0 HD2 TYR A 118 0.463 9.797 -10.833 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -0.973 5.095 -10.706 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -1.889 9.225 -11.237 1.00 0.00 H new ATOM 0 HH TYR A 118 -3.401 7.621 -11.392 1.00 0.00 H new ATOM 424 N ASP A 119 5.364 9.327 -10.852 1.00 0.00 N ATOM 425 CA ASP A 119 6.754 9.529 -10.462 1.00 0.00 C ATOM 426 C ASP A 119 6.913 9.437 -8.948 1.00 0.00 C ATOM 427 O ASP A 119 6.353 10.245 -8.204 1.00 0.00 O ATOM 428 CB ASP A 119 7.253 10.887 -10.958 1.00 0.00 C ATOM 429 CG ASP A 119 7.844 10.813 -12.353 1.00 0.00 C ATOM 430 OD1 ASP A 119 9.062 10.568 -12.468 1.00 0.00 O ATOM 431 OD2 ASP A 119 7.087 11.002 -13.329 1.00 0.00 O ATOM 0 H ASP A 119 4.805 10.180 -10.878 1.00 0.00 H new ATOM 0 HA ASP A 119 7.352 8.741 -10.920 1.00 0.00 H new ATOM 0 HB2 ASP A 119 6.427 11.598 -10.954 1.00 0.00 H new ATOM 0 HB3 ASP A 119 8.005 11.269 -10.268 1.00 0.00 H new ATOM 436 N LEU A 120 7.677 8.449 -8.497 1.00 0.00 N ATOM 437 CA LEU A 120 7.909 8.250 -7.071 1.00 0.00 C ATOM 438 C LEU A 120 9.148 9.011 -6.609 1.00 0.00 C ATOM 439 O LEU A 120 10.232 8.854 -7.171 1.00 0.00 O ATOM 440 CB LEU A 120 8.067 6.760 -6.762 1.00 0.00 C ATOM 441 CG LEU A 120 6.775 5.944 -6.714 1.00 0.00 C ATOM 442 CD1 LEU A 120 6.254 5.685 -8.119 1.00 0.00 C ATOM 443 CD2 LEU A 120 7.000 4.632 -5.976 1.00 0.00 C ATOM 0 H LEU A 120 8.147 7.773 -9.099 1.00 0.00 H new ATOM 0 HA LEU A 120 7.045 8.637 -6.531 1.00 0.00 H new ATOM 0 HB2 LEU A 120 8.723 6.321 -7.514 1.00 0.00 H new ATOM 0 HB3 LEU A 120 8.572 6.660 -5.801 1.00 0.00 H new ATOM 0 HG LEU A 120 6.025 6.519 -6.171 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.334 5.103 -8.064 1.00 0.00 H new ATOM 0 HD12 LEU A 120 6.053 6.635 -8.614 1.00 0.00 H new ATOM 0 HD13 LEU A 120 7.001 5.131 -8.688 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.070 4.064 -5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.766 4.052 -6.491 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.326 4.839 -4.957 1.00 0.00 H new ATOM 455 N LYS A 121 8.980 9.835 -5.580 1.00 0.00 N ATOM 456 CA LYS A 121 10.085 10.619 -5.039 1.00 0.00 C ATOM 457 C LYS A 121 10.765 9.880 -3.891 1.00 0.00 C ATOM 458 O LYS A 121 11.974 9.652 -3.917 1.00 0.00 O ATOM 459 CB LYS A 121 9.582 11.981 -4.556 1.00 0.00 C ATOM 460 CG LYS A 121 9.344 12.975 -5.680 1.00 0.00 C ATOM 461 CD LYS A 121 8.987 14.350 -5.142 1.00 0.00 C ATOM 462 CE LYS A 121 9.371 15.449 -6.121 1.00 0.00 C ATOM 463 NZ LYS A 121 8.736 15.251 -7.454 1.00 0.00 N ATOM 0 H LYS A 121 8.089 9.977 -5.104 1.00 0.00 H new ATOM 0 HA LYS A 121 10.815 10.769 -5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 121 8.653 11.841 -4.003 1.00 0.00 H new ATOM 0 HB3 LYS A 121 10.307 12.400 -3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 121 10.238 13.046 -6.299 1.00 0.00 H new ATOM 0 HG3 LYS A 121 8.540 12.614 -6.322 1.00 0.00 H new ATOM 0 HD2 LYS A 121 7.916 14.397 -4.942 1.00 0.00 H new ATOM 0 HD3 LYS A 121 9.496 14.513 -4.192 1.00 0.00 H new ATOM 0 HE2 LYS A 121 9.073 16.416 -5.717 1.00 0.00 H new ATOM 0 HE3 LYS A 121 10.455 15.472 -6.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 8.981 16.047 -8.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 9.080 14.364 -7.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 7.703 15.204 -7.343 1.00 0.00 H new ATOM 477 N TYR A 122 9.980 9.507 -2.886 1.00 0.00 N ATOM 478 CA TYR A 122 10.507 8.795 -1.728 1.00 0.00 C ATOM 479 C TYR A 122 9.633 7.592 -1.385 1.00 0.00 C ATOM 480 O TYR A 122 8.405 7.682 -1.381 1.00 0.00 O ATOM 481 CB TYR A 122 10.598 9.733 -0.524 1.00 0.00 C ATOM 482 CG TYR A 122 11.362 9.149 0.643 1.00 0.00 C ATOM 483 CD1 TYR A 122 12.748 9.062 0.618 1.00 0.00 C ATOM 484 CD2 TYR A 122 10.696 8.684 1.771 1.00 0.00 C ATOM 485 CE1 TYR A 122 13.450 8.528 1.681 1.00 0.00 C ATOM 486 CE2 TYR A 122 11.390 8.150 2.840 1.00 0.00 C ATOM 487 CZ TYR A 122 12.766 8.073 2.790 1.00 0.00 C ATOM 488 OH TYR A 122 13.461 7.542 3.852 1.00 0.00 O ATOM 0 H TYR A 122 8.976 9.686 -2.850 1.00 0.00 H new ATOM 0 HA TYR A 122 11.506 8.437 -1.977 1.00 0.00 H new ATOM 0 HB2 TYR A 122 11.078 10.662 -0.833 1.00 0.00 H new ATOM 0 HB3 TYR A 122 9.590 9.989 -0.196 1.00 0.00 H new ATOM 0 HD1 TYR A 122 13.286 9.418 -0.248 1.00 0.00 H new ATOM 0 HD2 TYR A 122 9.618 8.741 1.813 1.00 0.00 H new ATOM 0 HE1 TYR A 122 14.528 8.467 1.645 1.00 0.00 H new ATOM 0 HE2 TYR A 122 10.858 7.795 3.710 1.00 0.00 H new ATOM 0 HH TYR A 122 12.831 7.270 4.552 1.00 0.00 H new ATOM 498 N CYS A 123 10.276 6.466 -1.096 1.00 0.00 N ATOM 499 CA CYS A 123 9.561 5.243 -0.750 1.00 0.00 C ATOM 500 C CYS A 123 10.169 4.588 0.486 1.00 0.00 C ATOM 501 O CYS A 123 11.380 4.378 0.559 1.00 0.00 O ATOM 502 CB CYS A 123 9.587 4.263 -1.925 1.00 0.00 C ATOM 503 SG CYS A 123 11.046 3.172 -1.951 1.00 0.00 S ATOM 0 H CYS A 123 11.292 6.375 -1.094 1.00 0.00 H new ATOM 0 HA CYS A 123 8.527 5.507 -0.528 1.00 0.00 H new ATOM 0 HB2 CYS A 123 8.687 3.648 -1.892 1.00 0.00 H new ATOM 0 HB3 CYS A 123 9.552 4.828 -2.856 1.00 0.00 H new ATOM 508 N TYR A 124 9.321 4.267 1.457 1.00 0.00 N ATOM 509 CA TYR A 124 9.774 3.638 2.691 1.00 0.00 C ATOM 510 C TYR A 124 8.842 2.500 3.097 1.00 0.00 C ATOM 511 O TYR A 124 7.725 2.732 3.561 1.00 0.00 O ATOM 512 CB TYR A 124 9.854 4.672 3.816 1.00 0.00 C ATOM 513 CG TYR A 124 10.610 4.186 5.032 1.00 0.00 C ATOM 514 CD1 TYR A 124 11.962 3.876 4.956 1.00 0.00 C ATOM 515 CD2 TYR A 124 9.972 4.037 6.257 1.00 0.00 C ATOM 516 CE1 TYR A 124 12.657 3.431 6.064 1.00 0.00 C ATOM 517 CE2 TYR A 124 10.659 3.595 7.371 1.00 0.00 C ATOM 518 CZ TYR A 124 12.001 3.293 7.269 1.00 0.00 C ATOM 519 OH TYR A 124 12.688 2.850 8.376 1.00 0.00 O ATOM 0 H TYR A 124 8.315 4.432 1.413 1.00 0.00 H new ATOM 0 HA TYR A 124 10.767 3.225 2.514 1.00 0.00 H new ATOM 0 HB2 TYR A 124 10.335 5.574 3.436 1.00 0.00 H new ATOM 0 HB3 TYR A 124 8.843 4.951 4.114 1.00 0.00 H new ATOM 0 HD1 TYR A 124 12.479 3.985 4.014 1.00 0.00 H new ATOM 0 HD2 TYR A 124 8.921 4.271 6.340 1.00 0.00 H new ATOM 0 HE1 TYR A 124 13.708 3.193 5.987 1.00 0.00 H new ATOM 0 HE2 TYR A 124 10.148 3.487 8.316 1.00 0.00 H new ATOM 0 HH TYR A 124 12.080 2.810 9.144 1.00 0.00 H new ATOM 529 N VAL A 125 9.310 1.269 2.919 1.00 0.00 N ATOM 530 CA VAL A 125 8.520 0.094 3.268 1.00 0.00 C ATOM 531 C VAL A 125 8.789 -0.343 4.704 1.00 0.00 C ATOM 532 O VAL A 125 9.939 -0.530 5.101 1.00 0.00 O ATOM 533 CB VAL A 125 8.818 -1.084 2.321 1.00 0.00 C ATOM 534 CG1 VAL A 125 8.033 -2.318 2.739 1.00 0.00 C ATOM 535 CG2 VAL A 125 8.502 -0.703 0.882 1.00 0.00 C ATOM 0 H VAL A 125 10.232 1.059 2.535 1.00 0.00 H new ATOM 0 HA VAL A 125 7.472 0.376 3.167 1.00 0.00 H new ATOM 0 HB VAL A 125 9.880 -1.320 2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 125 8.257 -3.139 2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 125 8.313 -2.601 3.754 1.00 0.00 H new ATOM 0 HG13 VAL A 125 6.966 -2.099 2.705 1.00 0.00 H new ATOM 0 HG21 VAL A 125 8.718 -1.547 0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 125 7.448 -0.440 0.799 1.00 0.00 H new ATOM 0 HG23 VAL A 125 9.114 0.150 0.589 1.00 0.00 H new ATOM 545 N ASP A 126 7.721 -0.504 5.477 1.00 0.00 N ATOM 546 CA ASP A 126 7.841 -0.921 6.869 1.00 0.00 C ATOM 547 C ASP A 126 7.109 -2.237 7.108 1.00 0.00 C ATOM 548 O ASP A 126 5.924 -2.248 7.442 1.00 0.00 O ATOM 549 CB ASP A 126 7.286 0.161 7.797 1.00 0.00 C ATOM 550 CG ASP A 126 8.237 1.331 7.956 1.00 0.00 C ATOM 551 OD1 ASP A 126 9.463 1.118 7.849 1.00 0.00 O ATOM 552 OD2 ASP A 126 7.756 2.460 8.189 1.00 0.00 O ATOM 0 H ASP A 126 6.762 -0.352 5.163 1.00 0.00 H new ATOM 0 HA ASP A 126 8.898 -1.070 7.088 1.00 0.00 H new ATOM 0 HB2 ASP A 126 6.335 0.520 7.403 1.00 0.00 H new ATOM 0 HB3 ASP A 126 7.082 -0.273 8.776 1.00 0.00 H new ATOM 557 N ARG A 127 7.822 -3.345 6.933 1.00 0.00 N ATOM 558 CA ARG A 127 7.239 -4.667 7.127 1.00 0.00 C ATOM 559 C ARG A 127 6.639 -4.798 8.524 1.00 0.00 C ATOM 560 O ARG A 127 5.556 -5.354 8.696 1.00 0.00 O ATOM 561 CB ARG A 127 8.296 -5.751 6.911 1.00 0.00 C ATOM 562 CG ARG A 127 8.656 -5.968 5.450 1.00 0.00 C ATOM 563 CD ARG A 127 9.947 -6.759 5.306 1.00 0.00 C ATOM 564 NE ARG A 127 9.786 -8.151 5.719 1.00 0.00 N ATOM 565 CZ ARG A 127 10.802 -8.949 6.025 1.00 0.00 C ATOM 566 NH1 ARG A 127 12.047 -8.496 5.965 1.00 0.00 N ATOM 567 NH2 ARG A 127 10.575 -10.204 6.392 1.00 0.00 N ATOM 0 H ARG A 127 8.804 -3.353 6.657 1.00 0.00 H new ATOM 0 HA ARG A 127 6.442 -4.795 6.395 1.00 0.00 H new ATOM 0 HB2 ARG A 127 9.197 -5.483 7.463 1.00 0.00 H new ATOM 0 HB3 ARG A 127 7.933 -6.689 7.330 1.00 0.00 H new ATOM 0 HG2 ARG A 127 7.846 -6.498 4.949 1.00 0.00 H new ATOM 0 HG3 ARG A 127 8.761 -5.004 4.953 1.00 0.00 H new ATOM 0 HD2 ARG A 127 10.279 -6.725 4.268 1.00 0.00 H new ATOM 0 HD3 ARG A 127 10.728 -6.291 5.906 1.00 0.00 H new ATOM 0 HE ARG A 127 8.841 -8.531 5.775 1.00 0.00 H new ATOM 0 HH11 ARG A 127 12.226 -7.532 5.683 1.00 0.00 H new ATOM 0 HH12 ARG A 127 12.826 -9.111 6.201 1.00 0.00 H new ATOM 0 HH21 ARG A 127 9.619 -10.557 6.439 1.00 0.00 H new ATOM 0 HH22 ARG A 127 11.356 -10.816 6.627 1.00 0.00 H new ATOM 581 N ASN A 128 7.353 -4.281 9.519 1.00 0.00 N ATOM 582 CA ASN A 128 6.892 -4.340 10.902 1.00 0.00 C ATOM 583 C ASN A 128 5.433 -3.910 11.008 1.00 0.00 C ATOM 584 O ASN A 128 4.637 -4.541 11.704 1.00 0.00 O ATOM 585 CB ASN A 128 7.764 -3.450 11.790 1.00 0.00 C ATOM 586 CG ASN A 128 7.551 -3.723 13.267 1.00 0.00 C ATOM 587 OD1 ASN A 128 6.508 -4.237 13.671 1.00 0.00 O ATOM 588 ND2 ASN A 128 8.542 -3.378 14.081 1.00 0.00 N ATOM 0 H ASN A 128 8.253 -3.817 9.394 1.00 0.00 H new ATOM 0 HA ASN A 128 6.973 -5.372 11.242 1.00 0.00 H new ATOM 0 HB2 ASN A 128 8.813 -3.609 11.541 1.00 0.00 H new ATOM 0 HB3 ASN A 128 7.542 -2.404 11.581 1.00 0.00 H new ATOM 0 HD21 ASN A 128 8.456 -3.537 15.085 1.00 0.00 H new ATOM 0 HD22 ASN A 128 9.389 -2.955 13.702 1.00 0.00 H new ATOM 595 N LYS A 129 5.087 -2.833 10.311 1.00 0.00 N ATOM 596 CA LYS A 129 3.723 -2.318 10.324 1.00 0.00 C ATOM 597 C LYS A 129 3.047 -2.535 8.974 1.00 0.00 C ATOM 598 O LYS A 129 2.000 -1.951 8.692 1.00 0.00 O ATOM 599 CB LYS A 129 3.721 -0.829 10.674 1.00 0.00 C ATOM 600 CG LYS A 129 3.775 -0.555 12.167 1.00 0.00 C ATOM 601 CD LYS A 129 2.389 -0.586 12.790 1.00 0.00 C ATOM 602 CE LYS A 129 2.325 0.260 14.052 1.00 0.00 C ATOM 603 NZ LYS A 129 2.318 1.717 13.743 1.00 0.00 N ATOM 0 H LYS A 129 5.733 -2.299 9.729 1.00 0.00 H new ATOM 0 HA LYS A 129 3.163 -2.864 11.083 1.00 0.00 H new ATOM 0 HB2 LYS A 129 4.575 -0.350 10.194 1.00 0.00 H new ATOM 0 HB3 LYS A 129 2.824 -0.368 10.261 1.00 0.00 H new ATOM 0 HG2 LYS A 129 4.409 -1.297 12.651 1.00 0.00 H new ATOM 0 HG3 LYS A 129 4.232 0.419 12.343 1.00 0.00 H new ATOM 0 HD2 LYS A 129 1.657 -0.222 12.069 1.00 0.00 H new ATOM 0 HD3 LYS A 129 2.118 -1.615 13.027 1.00 0.00 H new ATOM 0 HE2 LYS A 129 1.428 0.004 14.616 1.00 0.00 H new ATOM 0 HE3 LYS A 129 3.179 0.028 14.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 2.055 2.251 14.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 3.265 2.010 13.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 1.629 1.908 12.988 1.00 0.00 H new ATOM 617 N ARG A 130 3.651 -3.378 8.143 1.00 0.00 N ATOM 618 CA ARG A 130 3.107 -3.671 6.822 1.00 0.00 C ATOM 619 C ARG A 130 2.553 -2.408 6.170 1.00 0.00 C ATOM 620 O ARG A 130 1.416 -2.387 5.697 1.00 0.00 O ATOM 621 CB ARG A 130 2.007 -4.730 6.924 1.00 0.00 C ATOM 622 CG ARG A 130 2.482 -6.045 7.520 1.00 0.00 C ATOM 623 CD ARG A 130 1.387 -7.100 7.483 1.00 0.00 C ATOM 624 NE ARG A 130 0.309 -6.804 8.422 1.00 0.00 N ATOM 625 CZ ARG A 130 -0.878 -7.400 8.391 1.00 0.00 C ATOM 626 NH1 ARG A 130 -1.137 -8.320 7.473 1.00 0.00 N ATOM 627 NH2 ARG A 130 -1.808 -7.076 9.280 1.00 0.00 N ATOM 0 H ARG A 130 4.517 -3.870 8.361 1.00 0.00 H new ATOM 0 HA ARG A 130 3.916 -4.055 6.200 1.00 0.00 H new ATOM 0 HB2 ARG A 130 1.192 -4.338 7.533 1.00 0.00 H new ATOM 0 HB3 ARG A 130 1.601 -4.917 5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 130 3.352 -6.402 6.969 1.00 0.00 H new ATOM 0 HG3 ARG A 130 2.800 -5.885 8.550 1.00 0.00 H new ATOM 0 HD2 ARG A 130 0.981 -7.165 6.474 1.00 0.00 H new ATOM 0 HD3 ARG A 130 1.815 -8.075 7.718 1.00 0.00 H new ATOM 0 HE ARG A 130 0.476 -6.101 9.142 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -0.424 -8.572 6.788 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -2.049 -8.776 7.451 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -1.612 -6.369 9.988 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -2.719 -7.534 9.255 1.00 0.00 H new ATOM 641 N THR A 131 3.364 -1.354 6.149 1.00 0.00 N ATOM 642 CA THR A 131 2.955 -0.087 5.556 1.00 0.00 C ATOM 643 C THR A 131 4.111 0.570 4.812 1.00 0.00 C ATOM 644 O THR A 131 5.227 0.651 5.325 1.00 0.00 O ATOM 645 CB THR A 131 2.427 0.888 6.625 1.00 0.00 C ATOM 646 OG1 THR A 131 1.376 0.269 7.377 1.00 0.00 O ATOM 647 CG2 THR A 131 1.912 2.168 5.984 1.00 0.00 C ATOM 0 H THR A 131 4.308 -1.353 6.536 1.00 0.00 H new ATOM 0 HA THR A 131 2.154 -0.311 4.851 1.00 0.00 H new ATOM 0 HB THR A 131 3.251 1.141 7.292 1.00 0.00 H new ATOM 0 HG1 THR A 131 1.737 -0.491 7.879 1.00 0.00 H new ATOM 0 HG21 THR A 131 1.544 2.841 6.759 1.00 0.00 H new ATOM 0 HG22 THR A 131 2.721 2.652 5.437 1.00 0.00 H new ATOM 0 HG23 THR A 131 1.101 1.930 5.296 1.00 0.00 H new ATOM 655 N ALA A 132 3.837 1.040 3.599 1.00 0.00 N ATOM 656 CA ALA A 132 4.855 1.694 2.785 1.00 0.00 C ATOM 657 C ALA A 132 4.414 3.095 2.377 1.00 0.00 C ATOM 658 O ALA A 132 3.348 3.275 1.788 1.00 0.00 O ATOM 659 CB ALA A 132 5.164 0.855 1.554 1.00 0.00 C ATOM 0 H ALA A 132 2.919 0.980 3.159 1.00 0.00 H new ATOM 0 HA ALA A 132 5.761 1.787 3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 132 5.925 1.355 0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 132 5.530 -0.124 1.863 1.00 0.00 H new ATOM 0 HB3 ALA A 132 4.258 0.732 0.960 1.00 0.00 H new ATOM 665 N PHE A 133 5.241 4.086 2.693 1.00 0.00 N ATOM 666 CA PHE A 133 4.936 5.473 2.360 1.00 0.00 C ATOM 667 C PHE A 133 5.483 5.834 0.982 1.00 0.00 C ATOM 668 O PHE A 133 6.684 5.733 0.732 1.00 0.00 O ATOM 669 CB PHE A 133 5.521 6.413 3.416 1.00 0.00 C ATOM 670 CG PHE A 133 5.239 5.981 4.826 1.00 0.00 C ATOM 671 CD1 PHE A 133 3.956 6.050 5.343 1.00 0.00 C ATOM 672 CD2 PHE A 133 6.258 5.505 5.636 1.00 0.00 C ATOM 673 CE1 PHE A 133 3.693 5.652 6.641 1.00 0.00 C ATOM 674 CE2 PHE A 133 6.002 5.105 6.934 1.00 0.00 C ATOM 675 CZ PHE A 133 4.718 5.180 7.437 1.00 0.00 C ATOM 0 H PHE A 133 6.128 3.955 3.179 1.00 0.00 H new ATOM 0 HA PHE A 133 3.852 5.587 2.342 1.00 0.00 H new ATOM 0 HB2 PHE A 133 6.600 6.480 3.274 1.00 0.00 H new ATOM 0 HB3 PHE A 133 5.117 7.414 3.264 1.00 0.00 H new ATOM 0 HD1 PHE A 133 3.151 6.419 4.725 1.00 0.00 H new ATOM 0 HD2 PHE A 133 7.264 5.446 5.248 1.00 0.00 H new ATOM 0 HE1 PHE A 133 2.688 5.710 7.031 1.00 0.00 H new ATOM 0 HE2 PHE A 133 6.805 4.734 7.554 1.00 0.00 H new ATOM 0 HZ PHE A 133 4.516 4.870 8.452 1.00 0.00 H new ATOM 685 N VAL A 134 4.591 6.256 0.091 1.00 0.00 N ATOM 686 CA VAL A 134 4.983 6.633 -1.262 1.00 0.00 C ATOM 687 C VAL A 134 4.650 8.094 -1.543 1.00 0.00 C ATOM 688 O VAL A 134 3.511 8.528 -1.371 1.00 0.00 O ATOM 689 CB VAL A 134 4.289 5.749 -2.315 1.00 0.00 C ATOM 690 CG1 VAL A 134 4.719 6.150 -3.717 1.00 0.00 C ATOM 691 CG2 VAL A 134 4.588 4.280 -2.056 1.00 0.00 C ATOM 0 H VAL A 134 3.593 6.345 0.282 1.00 0.00 H new ATOM 0 HA VAL A 134 6.061 6.488 -1.331 1.00 0.00 H new ATOM 0 HB VAL A 134 3.212 5.897 -2.236 1.00 0.00 H new ATOM 0 HG11 VAL A 134 4.218 5.514 -4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 134 4.449 7.191 -3.897 1.00 0.00 H new ATOM 0 HG13 VAL A 134 5.798 6.033 -3.814 1.00 0.00 H new ATOM 0 HG21 VAL A 134 4.090 3.669 -2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 134 5.664 4.113 -2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 134 4.224 4.004 -1.066 1.00 0.00 H new ATOM 701 N THR A 135 5.654 8.851 -1.978 1.00 0.00 N ATOM 702 CA THR A 135 5.469 10.264 -2.282 1.00 0.00 C ATOM 703 C THR A 135 5.435 10.502 -3.788 1.00 0.00 C ATOM 704 O THR A 135 6.473 10.498 -4.450 1.00 0.00 O ATOM 705 CB THR A 135 6.587 11.123 -1.663 1.00 0.00 C ATOM 706 OG1 THR A 135 6.539 11.034 -0.235 1.00 0.00 O ATOM 707 CG2 THR A 135 6.452 12.577 -2.090 1.00 0.00 C ATOM 0 H THR A 135 6.603 8.508 -2.127 1.00 0.00 H new ATOM 0 HA THR A 135 4.513 10.558 -1.848 1.00 0.00 H new ATOM 0 HB THR A 135 7.545 10.744 -2.019 1.00 0.00 H new ATOM 0 HG1 THR A 135 7.254 11.582 0.151 1.00 0.00 H new ATOM 0 HG21 THR A 135 7.253 13.164 -1.640 1.00 0.00 H new ATOM 0 HG22 THR A 135 6.518 12.645 -3.176 1.00 0.00 H new ATOM 0 HG23 THR A 135 5.488 12.965 -1.760 1.00 0.00 H new ATOM 715 N LEU A 136 4.237 10.710 -4.322 1.00 0.00 N ATOM 716 CA LEU A 136 4.068 10.951 -5.751 1.00 0.00 C ATOM 717 C LEU A 136 4.584 12.334 -6.135 1.00 0.00 C ATOM 718 O LEU A 136 5.028 13.102 -5.280 1.00 0.00 O ATOM 719 CB LEU A 136 2.595 10.818 -6.140 1.00 0.00 C ATOM 720 CG LEU A 136 1.998 9.413 -6.041 1.00 0.00 C ATOM 721 CD1 LEU A 136 0.527 9.430 -6.426 1.00 0.00 C ATOM 722 CD2 LEU A 136 2.771 8.443 -6.923 1.00 0.00 C ATOM 0 H LEU A 136 3.368 10.717 -3.788 1.00 0.00 H new ATOM 0 HA LEU A 136 4.649 10.204 -6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 136 2.011 11.485 -5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 136 2.478 11.169 -7.165 1.00 0.00 H new ATOM 0 HG LEU A 136 2.078 9.076 -5.007 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.119 8.422 -6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -0.017 10.093 -5.754 1.00 0.00 H new ATOM 0 HD13 LEU A 136 0.423 9.787 -7.451 1.00 0.00 H new ATOM 0 HD21 LEU A 136 2.333 7.448 -6.841 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.723 8.776 -7.960 1.00 0.00 H new ATOM 0 HD23 LEU A 136 3.812 8.409 -6.601 1.00 0.00 H new ATOM 734 N LEU A 137 4.521 12.646 -7.424 1.00 0.00 N ATOM 735 CA LEU A 137 4.980 13.938 -7.922 1.00 0.00 C ATOM 736 C LEU A 137 4.078 15.064 -7.428 1.00 0.00 C ATOM 737 O LEU A 137 4.523 15.963 -6.716 1.00 0.00 O ATOM 738 CB LEU A 137 5.019 13.934 -9.451 1.00 0.00 C ATOM 739 CG LEU A 137 5.220 15.293 -10.121 1.00 0.00 C ATOM 740 CD1 LEU A 137 6.680 15.714 -10.047 1.00 0.00 C ATOM 741 CD2 LEU A 137 4.749 15.250 -11.568 1.00 0.00 C ATOM 0 H LEU A 137 4.156 12.022 -8.144 1.00 0.00 H new ATOM 0 HA LEU A 137 5.986 14.109 -7.540 1.00 0.00 H new ATOM 0 HB2 LEU A 137 5.822 13.271 -9.772 1.00 0.00 H new ATOM 0 HB3 LEU A 137 4.086 13.505 -9.817 1.00 0.00 H new ATOM 0 HG LEU A 137 4.622 16.031 -9.587 1.00 0.00 H new ATOM 0 HD11 LEU A 137 6.804 16.684 -10.529 1.00 0.00 H new ATOM 0 HD12 LEU A 137 6.985 15.786 -9.003 1.00 0.00 H new ATOM 0 HD13 LEU A 137 7.298 14.974 -10.556 1.00 0.00 H new ATOM 0 HD21 LEU A 137 4.900 16.226 -12.029 1.00 0.00 H new ATOM 0 HD22 LEU A 137 5.320 14.499 -12.114 1.00 0.00 H new ATOM 0 HD23 LEU A 137 3.690 14.994 -11.598 1.00 0.00 H new ATOM 753 N ASN A 138 2.806 15.006 -7.810 1.00 0.00 N ATOM 754 CA ASN A 138 1.839 16.020 -7.404 1.00 0.00 C ATOM 755 C ASN A 138 0.653 15.385 -6.685 1.00 0.00 C ATOM 756 O ASN A 138 0.575 14.164 -6.555 1.00 0.00 O ATOM 757 CB ASN A 138 1.350 16.805 -8.623 1.00 0.00 C ATOM 758 CG ASN A 138 2.491 17.268 -9.508 1.00 0.00 C ATOM 759 OD1 ASN A 138 2.484 16.827 -10.761 1.00 0.00 O flip ATOM 760 ND2 ASN A 138 3.367 18.015 -9.071 1.00 0.00 N flip ATOM 0 H ASN A 138 2.421 14.268 -8.400 1.00 0.00 H new ATOM 0 HA ASN A 138 2.335 16.703 -6.715 1.00 0.00 H new ATOM 0 HB2 ASN A 138 0.672 16.181 -9.205 1.00 0.00 H new ATOM 0 HB3 ASN A 138 0.779 17.671 -8.289 1.00 0.00 H new ATOM 0 HD21 ASN A 138 3.332 18.329 -8.101 1.00 0.00 H new ATOM 0 HD22 ASN A 138 4.127 18.320 -9.679 1.00 0.00 H new ATOM 767 N GLY A 139 -0.269 16.222 -6.220 1.00 0.00 N ATOM 768 CA GLY A 139 -1.438 15.724 -5.521 1.00 0.00 C ATOM 769 C GLY A 139 -2.481 15.159 -6.464 1.00 0.00 C ATOM 770 O GLY A 139 -2.870 13.997 -6.344 1.00 0.00 O ATOM 0 H GLY A 139 -0.227 17.237 -6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -1.134 14.951 -4.816 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -1.880 16.532 -4.937 1.00 0.00 H new ATOM 774 N GLU A 140 -2.936 15.982 -7.404 1.00 0.00 N ATOM 775 CA GLU A 140 -3.942 15.556 -8.370 1.00 0.00 C ATOM 776 C GLU A 140 -3.720 14.104 -8.783 1.00 0.00 C ATOM 777 O GLU A 140 -4.670 13.332 -8.906 1.00 0.00 O ATOM 778 CB GLU A 140 -3.910 16.460 -9.604 1.00 0.00 C ATOM 779 CG GLU A 140 -4.617 17.790 -9.404 1.00 0.00 C ATOM 780 CD GLU A 140 -4.835 18.537 -10.705 1.00 0.00 C ATOM 781 OE1 GLU A 140 -5.794 18.199 -11.429 1.00 0.00 O ATOM 782 OE2 GLU A 140 -4.046 19.459 -11.000 1.00 0.00 O ATOM 0 H GLU A 140 -2.624 16.947 -7.517 1.00 0.00 H new ATOM 0 HA GLU A 140 -4.920 15.634 -7.896 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.872 16.648 -9.879 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -4.372 15.935 -10.440 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -5.580 17.617 -8.923 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -4.030 18.411 -8.727 1.00 0.00 H new ATOM 789 N GLN A 141 -2.459 13.742 -8.995 1.00 0.00 N ATOM 790 CA GLN A 141 -2.112 12.383 -9.396 1.00 0.00 C ATOM 791 C GLN A 141 -2.498 11.381 -8.312 1.00 0.00 C ATOM 792 O GLN A 141 -3.054 10.322 -8.602 1.00 0.00 O ATOM 793 CB GLN A 141 -0.615 12.282 -9.690 1.00 0.00 C ATOM 794 CG GLN A 141 -0.256 12.598 -11.134 1.00 0.00 C ATOM 795 CD GLN A 141 1.127 12.106 -11.512 1.00 0.00 C ATOM 796 OE1 GLN A 141 1.274 11.224 -12.359 1.00 0.00 O ATOM 797 NE2 GLN A 141 2.150 12.674 -10.886 1.00 0.00 N ATOM 0 H GLN A 141 -1.661 14.370 -8.896 1.00 0.00 H new ATOM 0 HA GLN A 141 -2.670 12.145 -10.302 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -0.077 12.965 -9.033 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -0.273 11.275 -9.451 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -0.993 12.143 -11.796 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -0.310 13.675 -11.290 1.00 0.00 H new ATOM 0 HE21 GLN A 141 1.982 13.401 -10.191 1.00 0.00 H new ATOM 0 HE22 GLN A 141 3.104 12.383 -11.100 1.00 0.00 H new ATOM 806 N ALA A 142 -2.199 11.723 -7.063 1.00 0.00 N ATOM 807 CA ALA A 142 -2.516 10.854 -5.937 1.00 0.00 C ATOM 808 C ALA A 142 -4.023 10.753 -5.728 1.00 0.00 C ATOM 809 O ALA A 142 -4.574 9.656 -5.645 1.00 0.00 O ATOM 810 CB ALA A 142 -1.839 11.362 -4.672 1.00 0.00 C ATOM 0 H ALA A 142 -1.738 12.596 -6.806 1.00 0.00 H new ATOM 0 HA ALA A 142 -2.139 9.856 -6.163 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -2.084 10.704 -3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -0.759 11.376 -4.818 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -2.188 12.371 -4.452 1.00 0.00 H new ATOM 816 N GLN A 143 -4.682 11.904 -5.644 1.00 0.00 N ATOM 817 CA GLN A 143 -6.126 11.944 -5.444 1.00 0.00 C ATOM 818 C GLN A 143 -6.810 10.801 -6.186 1.00 0.00 C ATOM 819 O GLN A 143 -7.817 10.264 -5.727 1.00 0.00 O ATOM 820 CB GLN A 143 -6.691 13.285 -5.915 1.00 0.00 C ATOM 821 CG GLN A 143 -6.225 14.468 -5.082 1.00 0.00 C ATOM 822 CD GLN A 143 -6.375 14.228 -3.593 1.00 0.00 C ATOM 823 OE1 GLN A 143 -7.421 14.511 -3.009 1.00 0.00 O ATOM 824 NE2 GLN A 143 -5.327 13.702 -2.970 1.00 0.00 N ATOM 0 H GLN A 143 -4.240 12.821 -5.711 1.00 0.00 H new ATOM 0 HA GLN A 143 -6.323 11.830 -4.378 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -6.403 13.447 -6.954 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -7.780 13.240 -5.890 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -5.180 14.678 -5.309 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -6.796 15.353 -5.363 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -4.480 13.483 -3.494 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -5.369 13.517 -1.968 1.00 0.00 H new ATOM 833 N ASN A 144 -6.256 10.434 -7.337 1.00 0.00 N ATOM 834 CA ASN A 144 -6.814 9.355 -8.144 1.00 0.00 C ATOM 835 C ASN A 144 -6.086 8.041 -7.874 1.00 0.00 C ATOM 836 O ASN A 144 -6.696 7.054 -7.466 1.00 0.00 O ATOM 837 CB ASN A 144 -6.725 9.703 -9.631 1.00 0.00 C ATOM 838 CG ASN A 144 -7.495 10.963 -9.977 1.00 0.00 C ATOM 839 OD1 ASN A 144 -8.696 10.916 -10.245 1.00 0.00 O ATOM 840 ND2 ASN A 144 -6.806 12.098 -9.972 1.00 0.00 N ATOM 0 H ASN A 144 -5.421 10.868 -7.732 1.00 0.00 H new ATOM 0 HA ASN A 144 -7.861 9.234 -7.868 1.00 0.00 H new ATOM 0 HB2 ASN A 144 -5.679 9.832 -9.909 1.00 0.00 H new ATOM 0 HB3 ASN A 144 -7.111 8.871 -10.220 1.00 0.00 H new ATOM 0 HD21 ASN A 144 -7.271 12.978 -10.196 1.00 0.00 H new ATOM 0 HD22 ASN A 144 -5.812 12.090 -9.744 1.00 0.00 H new ATOM 847 N ALA A 145 -4.777 8.038 -8.104 1.00 0.00 N ATOM 848 CA ALA A 145 -3.965 6.848 -7.883 1.00 0.00 C ATOM 849 C ALA A 145 -4.371 6.138 -6.596 1.00 0.00 C ATOM 850 O ALA A 145 -4.200 4.925 -6.466 1.00 0.00 O ATOM 851 CB ALA A 145 -2.489 7.216 -7.843 1.00 0.00 C ATOM 0 H ALA A 145 -4.256 8.847 -8.443 1.00 0.00 H new ATOM 0 HA ALA A 145 -4.134 6.163 -8.714 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -1.894 6.318 -7.677 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -2.202 7.672 -8.791 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -2.312 7.923 -7.032 1.00 0.00 H new ATOM 857 N ILE A 146 -4.907 6.900 -5.649 1.00 0.00 N ATOM 858 CA ILE A 146 -5.337 6.343 -4.373 1.00 0.00 C ATOM 859 C ILE A 146 -6.444 5.313 -4.568 1.00 0.00 C ATOM 860 O ILE A 146 -6.250 4.124 -4.314 1.00 0.00 O ATOM 861 CB ILE A 146 -5.837 7.443 -3.418 1.00 0.00 C ATOM 862 CG1 ILE A 146 -4.686 8.372 -3.029 1.00 0.00 C ATOM 863 CG2 ILE A 146 -6.467 6.823 -2.180 1.00 0.00 C ATOM 864 CD1 ILE A 146 -5.138 9.760 -2.630 1.00 0.00 C ATOM 0 H ILE A 146 -5.054 7.905 -5.741 1.00 0.00 H new ATOM 0 HA ILE A 146 -4.466 5.858 -3.931 1.00 0.00 H new ATOM 0 HB ILE A 146 -6.597 8.032 -3.931 1.00 0.00 H new ATOM 0 HG12 ILE A 146 -4.134 7.926 -2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -3.994 8.451 -3.868 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -6.816 7.613 -1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -7.310 6.199 -2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -5.727 6.213 -1.662 1.00 0.00 H new ATOM 0 HD11 ILE A 146 -4.270 10.364 -2.367 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -5.664 10.225 -3.464 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -5.806 9.692 -1.772 1.00 0.00 H new ATOM 876 N GLN A 147 -7.603 5.777 -5.023 1.00 0.00 N ATOM 877 CA GLN A 147 -8.741 4.895 -5.253 1.00 0.00 C ATOM 878 C GLN A 147 -8.458 3.928 -6.398 1.00 0.00 C ATOM 879 O GLN A 147 -8.655 2.721 -6.267 1.00 0.00 O ATOM 880 CB GLN A 147 -9.995 5.715 -5.561 1.00 0.00 C ATOM 881 CG GLN A 147 -10.698 6.242 -4.320 1.00 0.00 C ATOM 882 CD GLN A 147 -9.727 6.744 -3.269 1.00 0.00 C ATOM 883 OE1 GLN A 147 -8.966 7.776 -3.611 1.00 0.00 O flip ATOM 884 NE2 GLN A 147 -9.663 6.209 -2.161 1.00 0.00 N flip ATOM 0 H GLN A 147 -7.779 6.758 -5.240 1.00 0.00 H new ATOM 0 HA GLN A 147 -8.908 4.316 -4.345 1.00 0.00 H new ATOM 0 HB2 GLN A 147 -9.722 6.556 -6.198 1.00 0.00 H new ATOM 0 HB3 GLN A 147 -10.692 5.098 -6.129 1.00 0.00 H new ATOM 0 HG2 GLN A 147 -11.371 7.051 -4.604 1.00 0.00 H new ATOM 0 HG3 GLN A 147 -11.314 5.451 -3.892 1.00 0.00 H new ATOM 0 HE21 GLN A 147 -10.268 5.417 -1.941 1.00 0.00 H new ATOM 0 HE22 GLN A 147 -9.005 6.558 -1.464 1.00 0.00 H new ATOM 893 N MET A 148 -7.994 4.468 -7.520 1.00 0.00 N ATOM 894 CA MET A 148 -7.683 3.652 -8.688 1.00 0.00 C ATOM 895 C MET A 148 -6.982 2.361 -8.279 1.00 0.00 C ATOM 896 O MET A 148 -7.260 1.292 -8.823 1.00 0.00 O ATOM 897 CB MET A 148 -6.804 4.436 -9.665 1.00 0.00 C ATOM 898 CG MET A 148 -7.492 5.655 -10.257 1.00 0.00 C ATOM 899 SD MET A 148 -8.719 5.222 -11.505 1.00 0.00 S ATOM 900 CE MET A 148 -7.681 4.462 -12.752 1.00 0.00 C ATOM 0 H MET A 148 -7.825 5.466 -7.645 1.00 0.00 H new ATOM 0 HA MET A 148 -8.621 3.395 -9.180 1.00 0.00 H new ATOM 0 HB2 MET A 148 -5.898 4.755 -9.150 1.00 0.00 H new ATOM 0 HB3 MET A 148 -6.495 3.774 -10.474 1.00 0.00 H new ATOM 0 HG2 MET A 148 -7.975 6.218 -9.459 1.00 0.00 H new ATOM 0 HG3 MET A 148 -6.743 6.310 -10.702 1.00 0.00 H new ATOM 0 HE1 MET A 148 -8.164 4.543 -13.726 1.00 0.00 H new ATOM 0 HE2 MET A 148 -6.717 4.970 -12.782 1.00 0.00 H new ATOM 0 HE3 MET A 148 -7.530 3.410 -12.508 1.00 0.00 H new ATOM 910 N PHE A 149 -6.071 2.467 -7.317 1.00 0.00 N ATOM 911 CA PHE A 149 -5.329 1.308 -6.835 1.00 0.00 C ATOM 912 C PHE A 149 -5.986 0.721 -5.589 1.00 0.00 C ATOM 913 O PHE A 149 -5.916 -0.484 -5.346 1.00 0.00 O ATOM 914 CB PHE A 149 -3.881 1.695 -6.527 1.00 0.00 C ATOM 915 CG PHE A 149 -3.008 1.769 -7.747 1.00 0.00 C ATOM 916 CD1 PHE A 149 -3.142 2.812 -8.649 1.00 0.00 C ATOM 917 CD2 PHE A 149 -2.054 0.794 -7.993 1.00 0.00 C ATOM 918 CE1 PHE A 149 -2.340 2.884 -9.772 1.00 0.00 C ATOM 919 CE2 PHE A 149 -1.249 0.861 -9.114 1.00 0.00 C ATOM 920 CZ PHE A 149 -1.393 1.906 -10.006 1.00 0.00 C ATOM 0 H PHE A 149 -5.829 3.344 -6.856 1.00 0.00 H new ATOM 0 HA PHE A 149 -5.337 0.551 -7.619 1.00 0.00 H new ATOM 0 HB2 PHE A 149 -3.871 2.662 -6.024 1.00 0.00 H new ATOM 0 HB3 PHE A 149 -3.459 0.969 -5.832 1.00 0.00 H new ATOM 0 HD1 PHE A 149 -3.882 3.578 -8.472 1.00 0.00 H new ATOM 0 HD2 PHE A 149 -1.939 -0.027 -7.301 1.00 0.00 H new ATOM 0 HE1 PHE A 149 -2.453 3.704 -10.466 1.00 0.00 H new ATOM 0 HE2 PHE A 149 -0.507 0.097 -9.293 1.00 0.00 H new ATOM 0 HZ PHE A 149 -0.767 1.958 -10.884 1.00 0.00 H new ATOM 930 N HIS A 150 -6.624 1.582 -4.802 1.00 0.00 N ATOM 931 CA HIS A 150 -7.294 1.149 -3.581 1.00 0.00 C ATOM 932 C HIS A 150 -8.003 -0.185 -3.794 1.00 0.00 C ATOM 933 O HIS A 150 -8.796 -0.335 -4.723 1.00 0.00 O ATOM 934 CB HIS A 150 -8.299 2.207 -3.123 1.00 0.00 C ATOM 935 CG HIS A 150 -9.021 1.842 -1.863 1.00 0.00 C ATOM 936 ND1 HIS A 150 -8.404 1.232 -0.792 1.00 0.00 N ATOM 937 CD2 HIS A 150 -10.317 2.005 -1.507 1.00 0.00 C ATOM 938 CE1 HIS A 150 -9.289 1.034 0.169 1.00 0.00 C ATOM 939 NE2 HIS A 150 -10.457 1.495 -0.239 1.00 0.00 N ATOM 0 H HIS A 150 -6.691 2.583 -4.988 1.00 0.00 H new ATOM 0 HA HIS A 150 -6.537 1.018 -2.807 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -7.776 3.151 -2.972 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -9.029 2.370 -3.916 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -11.095 2.452 -2.108 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -9.091 0.573 1.126 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -11.323 1.476 0.300 1.00 0.00 H new ATOM 948 N GLN A 151 -7.712 -1.149 -2.927 1.00 0.00 N ATOM 949 CA GLN A 151 -8.322 -2.470 -3.022 1.00 0.00 C ATOM 950 C GLN A 151 -7.818 -3.215 -4.253 1.00 0.00 C ATOM 951 O GLN A 151 -8.594 -3.851 -4.967 1.00 0.00 O ATOM 952 CB GLN A 151 -9.846 -2.350 -3.072 1.00 0.00 C ATOM 953 CG GLN A 151 -10.422 -1.464 -1.979 1.00 0.00 C ATOM 954 CD GLN A 151 -11.937 -1.497 -1.939 1.00 0.00 C ATOM 955 OE1 GLN A 151 -12.596 -1.564 -2.978 1.00 0.00 O ATOM 956 NE2 GLN A 151 -12.499 -1.451 -0.737 1.00 0.00 N ATOM 0 H GLN A 151 -7.058 -1.040 -2.152 1.00 0.00 H new ATOM 0 HA GLN A 151 -8.039 -3.037 -2.135 1.00 0.00 H new ATOM 0 HB2 GLN A 151 -10.139 -1.952 -4.043 1.00 0.00 H new ATOM 0 HB3 GLN A 151 -10.284 -3.345 -2.990 1.00 0.00 H new ATOM 0 HG2 GLN A 151 -10.030 -1.783 -1.013 1.00 0.00 H new ATOM 0 HG3 GLN A 151 -10.089 -0.438 -2.135 1.00 0.00 H new ATOM 0 HE21 GLN A 151 -11.915 -1.396 0.097 1.00 0.00 H new ATOM 0 HE22 GLN A 151 -13.515 -1.471 -0.648 1.00 0.00 H new ATOM 965 N TYR A 152 -6.515 -3.131 -4.497 1.00 0.00 N ATOM 966 CA TYR A 152 -5.908 -3.795 -5.645 1.00 0.00 C ATOM 967 C TYR A 152 -5.397 -5.181 -5.265 1.00 0.00 C ATOM 968 O TYR A 152 -4.975 -5.411 -4.132 1.00 0.00 O ATOM 969 CB TYR A 152 -4.759 -2.951 -6.200 1.00 0.00 C ATOM 970 CG TYR A 152 -3.888 -3.690 -7.190 1.00 0.00 C ATOM 971 CD1 TYR A 152 -4.298 -3.874 -8.505 1.00 0.00 C ATOM 972 CD2 TYR A 152 -2.654 -4.204 -6.811 1.00 0.00 C ATOM 973 CE1 TYR A 152 -3.505 -4.549 -9.412 1.00 0.00 C ATOM 974 CE2 TYR A 152 -1.854 -4.880 -7.712 1.00 0.00 C ATOM 975 CZ TYR A 152 -2.284 -5.050 -9.011 1.00 0.00 C ATOM 976 OH TYR A 152 -1.491 -5.722 -9.913 1.00 0.00 O ATOM 0 H TYR A 152 -5.859 -2.610 -3.916 1.00 0.00 H new ATOM 0 HA TYR A 152 -6.673 -3.907 -6.414 1.00 0.00 H new ATOM 0 HB2 TYR A 152 -5.171 -2.064 -6.682 1.00 0.00 H new ATOM 0 HB3 TYR A 152 -4.140 -2.605 -5.372 1.00 0.00 H new ATOM 0 HD1 TYR A 152 -5.253 -3.482 -8.823 1.00 0.00 H new ATOM 0 HD2 TYR A 152 -2.314 -4.073 -5.794 1.00 0.00 H new ATOM 0 HE1 TYR A 152 -3.839 -4.684 -10.430 1.00 0.00 H new ATOM 0 HE2 TYR A 152 -0.897 -5.273 -7.401 1.00 0.00 H new ATOM 0 HH TYR A 152 -0.664 -6.009 -9.472 1.00 0.00 H new ATOM 986 N SER A 153 -5.439 -6.103 -6.223 1.00 0.00 N ATOM 987 CA SER A 153 -4.984 -7.468 -5.990 1.00 0.00 C ATOM 988 C SER A 153 -3.460 -7.544 -6.011 1.00 0.00 C ATOM 989 O SER A 153 -2.824 -7.208 -7.010 1.00 0.00 O ATOM 990 CB SER A 153 -5.568 -8.410 -7.044 1.00 0.00 C ATOM 991 OG SER A 153 -4.940 -9.680 -6.998 1.00 0.00 O ATOM 0 H SER A 153 -5.783 -5.929 -7.167 1.00 0.00 H new ATOM 0 HA SER A 153 -5.332 -7.777 -5.004 1.00 0.00 H new ATOM 0 HB2 SER A 153 -6.639 -8.525 -6.880 1.00 0.00 H new ATOM 0 HB3 SER A 153 -5.442 -7.974 -8.035 1.00 0.00 H new ATOM 0 HG SER A 153 -5.332 -10.264 -7.680 1.00 0.00 H new ATOM 997 N PHE A 154 -2.880 -7.989 -4.901 1.00 0.00 N ATOM 998 CA PHE A 154 -1.431 -8.109 -4.791 1.00 0.00 C ATOM 999 C PHE A 154 -1.050 -9.247 -3.849 1.00 0.00 C ATOM 1000 O PHE A 154 -1.405 -9.238 -2.670 1.00 0.00 O ATOM 1001 CB PHE A 154 -0.826 -6.795 -4.291 1.00 0.00 C ATOM 1002 CG PHE A 154 0.663 -6.716 -4.468 1.00 0.00 C ATOM 1003 CD1 PHE A 154 1.215 -6.506 -5.722 1.00 0.00 C ATOM 1004 CD2 PHE A 154 1.511 -6.851 -3.381 1.00 0.00 C ATOM 1005 CE1 PHE A 154 2.586 -6.433 -5.888 1.00 0.00 C ATOM 1006 CE2 PHE A 154 2.882 -6.778 -3.541 1.00 0.00 C ATOM 1007 CZ PHE A 154 3.420 -6.570 -4.796 1.00 0.00 C ATOM 0 H PHE A 154 -3.391 -8.272 -4.065 1.00 0.00 H new ATOM 0 HA PHE A 154 -1.033 -8.331 -5.781 1.00 0.00 H new ATOM 0 HB2 PHE A 154 -1.292 -5.965 -4.822 1.00 0.00 H new ATOM 0 HB3 PHE A 154 -1.065 -6.673 -3.235 1.00 0.00 H new ATOM 0 HD1 PHE A 154 0.567 -6.398 -6.579 1.00 0.00 H new ATOM 0 HD2 PHE A 154 1.096 -7.015 -2.397 1.00 0.00 H new ATOM 0 HE1 PHE A 154 3.004 -6.269 -6.870 1.00 0.00 H new ATOM 0 HE2 PHE A 154 3.532 -6.884 -2.685 1.00 0.00 H new ATOM 0 HZ PHE A 154 4.491 -6.515 -4.923 1.00 0.00 H new ATOM 1017 N ARG A 155 -0.326 -10.228 -4.379 1.00 0.00 N ATOM 1018 CA ARG A 155 0.103 -11.375 -3.587 1.00 0.00 C ATOM 1019 C ARG A 155 -1.073 -11.977 -2.823 1.00 0.00 C ATOM 1020 O ARG A 155 -0.893 -12.595 -1.775 1.00 0.00 O ATOM 1021 CB ARG A 155 1.204 -10.963 -2.608 1.00 0.00 C ATOM 1022 CG ARG A 155 2.537 -10.672 -3.278 1.00 0.00 C ATOM 1023 CD ARG A 155 3.704 -10.974 -2.351 1.00 0.00 C ATOM 1024 NE ARG A 155 4.142 -12.363 -2.459 1.00 0.00 N ATOM 1025 CZ ARG A 155 4.883 -12.825 -3.460 1.00 0.00 C ATOM 1026 NH1 ARG A 155 5.267 -12.012 -4.435 1.00 0.00 N ATOM 1027 NH2 ARG A 155 5.243 -14.102 -3.487 1.00 0.00 N ATOM 0 H ARG A 155 -0.024 -10.251 -5.353 1.00 0.00 H new ATOM 0 HA ARG A 155 0.497 -12.129 -4.268 1.00 0.00 H new ATOM 0 HB2 ARG A 155 0.880 -10.077 -2.062 1.00 0.00 H new ATOM 0 HB3 ARG A 155 1.342 -11.757 -1.874 1.00 0.00 H new ATOM 0 HG2 ARG A 155 2.628 -11.269 -4.185 1.00 0.00 H new ATOM 0 HG3 ARG A 155 2.573 -9.625 -3.581 1.00 0.00 H new ATOM 0 HD2 ARG A 155 4.537 -10.312 -2.588 1.00 0.00 H new ATOM 0 HD3 ARG A 155 3.413 -10.764 -1.322 1.00 0.00 H new ATOM 0 HE ARG A 155 3.864 -13.014 -1.725 1.00 0.00 H new ATOM 0 HH11 ARG A 155 4.993 -11.030 -4.417 1.00 0.00 H new ATOM 0 HH12 ARG A 155 5.836 -12.369 -5.203 1.00 0.00 H new ATOM 0 HH21 ARG A 155 4.951 -14.730 -2.738 1.00 0.00 H new ATOM 0 HH22 ARG A 155 5.812 -14.455 -4.256 1.00 0.00 H new ATOM 1041 N GLY A 156 -2.276 -11.792 -3.357 1.00 0.00 N ATOM 1042 CA GLY A 156 -3.463 -12.322 -2.712 1.00 0.00 C ATOM 1043 C GLY A 156 -4.112 -11.321 -1.778 1.00 0.00 C ATOM 1044 O GLY A 156 -5.309 -11.403 -1.501 1.00 0.00 O ATOM 0 H GLY A 156 -2.450 -11.285 -4.225 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -4.183 -12.623 -3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -3.198 -13.219 -2.151 1.00 0.00 H new ATOM 1048 N LYS A 157 -3.321 -10.372 -1.288 1.00 0.00 N ATOM 1049 CA LYS A 157 -3.824 -9.350 -0.378 1.00 0.00 C ATOM 1050 C LYS A 157 -4.322 -8.132 -1.150 1.00 0.00 C ATOM 1051 O LYS A 157 -3.839 -7.839 -2.244 1.00 0.00 O ATOM 1052 CB LYS A 157 -2.730 -8.931 0.606 1.00 0.00 C ATOM 1053 CG LYS A 157 -2.145 -10.089 1.396 1.00 0.00 C ATOM 1054 CD LYS A 157 -3.056 -10.499 2.541 1.00 0.00 C ATOM 1055 CE LYS A 157 -2.333 -11.398 3.533 1.00 0.00 C ATOM 1056 NZ LYS A 157 -3.280 -12.062 4.471 1.00 0.00 N ATOM 0 H LYS A 157 -2.328 -10.290 -1.506 1.00 0.00 H new ATOM 0 HA LYS A 157 -4.661 -9.773 0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -1.929 -8.436 0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -3.140 -8.198 1.301 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -1.987 -10.940 0.733 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -1.169 -9.806 1.790 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -3.421 -9.609 3.054 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -3.928 -11.019 2.145 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -1.767 -12.156 2.991 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -1.613 -10.808 4.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -2.749 -12.666 5.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -3.802 -11.339 5.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -3.951 -12.645 3.932 1.00 0.00 H new ATOM 1070 N ASP A 158 -5.289 -7.427 -0.574 1.00 0.00 N ATOM 1071 CA ASP A 158 -5.851 -6.239 -1.207 1.00 0.00 C ATOM 1072 C ASP A 158 -5.137 -4.979 -0.728 1.00 0.00 C ATOM 1073 O ASP A 158 -5.429 -4.459 0.350 1.00 0.00 O ATOM 1074 CB ASP A 158 -7.347 -6.136 -0.910 1.00 0.00 C ATOM 1075 CG ASP A 158 -7.673 -6.448 0.537 1.00 0.00 C ATOM 1076 OD1 ASP A 158 -7.470 -7.608 0.955 1.00 0.00 O ATOM 1077 OD2 ASP A 158 -8.131 -5.533 1.253 1.00 0.00 O ATOM 0 H ASP A 158 -5.700 -7.657 0.330 1.00 0.00 H new ATOM 0 HA ASP A 158 -5.708 -6.329 -2.284 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -7.693 -5.130 -1.149 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -7.891 -6.823 -1.558 1.00 0.00 H new ATOM 1082 N LEU A 159 -4.199 -4.494 -1.534 1.00 0.00 N ATOM 1083 CA LEU A 159 -3.441 -3.295 -1.192 1.00 0.00 C ATOM 1084 C LEU A 159 -4.375 -2.121 -0.919 1.00 0.00 C ATOM 1085 O LEU A 159 -5.159 -1.725 -1.783 1.00 0.00 O ATOM 1086 CB LEU A 159 -2.473 -2.940 -2.322 1.00 0.00 C ATOM 1087 CG LEU A 159 -1.407 -3.987 -2.646 1.00 0.00 C ATOM 1088 CD1 LEU A 159 -0.468 -3.476 -3.727 1.00 0.00 C ATOM 1089 CD2 LEU A 159 -0.628 -4.360 -1.393 1.00 0.00 C ATOM 0 H LEU A 159 -3.945 -4.912 -2.429 1.00 0.00 H new ATOM 0 HA LEU A 159 -2.871 -3.501 -0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.054 -2.750 -3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -1.971 -2.007 -2.064 1.00 0.00 H new ATOM 0 HG LEU A 159 -1.905 -4.881 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 159 0.284 -4.235 -3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -1.037 -3.260 -4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 159 0.024 -2.566 -3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 159 0.126 -5.106 -1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -0.141 -3.472 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -1.311 -4.769 -0.648 1.00 0.00 H new ATOM 1101 N ILE A 160 -4.285 -1.567 0.285 1.00 0.00 N ATOM 1102 CA ILE A 160 -5.119 -0.435 0.670 1.00 0.00 C ATOM 1103 C ILE A 160 -4.384 0.885 0.466 1.00 0.00 C ATOM 1104 O ILE A 160 -3.528 1.261 1.267 1.00 0.00 O ATOM 1105 CB ILE A 160 -5.566 -0.539 2.140 1.00 0.00 C ATOM 1106 CG1 ILE A 160 -6.490 -1.744 2.331 1.00 0.00 C ATOM 1107 CG2 ILE A 160 -6.261 0.743 2.575 1.00 0.00 C ATOM 1108 CD1 ILE A 160 -6.772 -2.065 3.782 1.00 0.00 C ATOM 0 H ILE A 160 -3.643 -1.884 1.011 1.00 0.00 H new ATOM 0 HA ILE A 160 -6.000 -0.460 0.028 1.00 0.00 H new ATOM 0 HB ILE A 160 -4.683 -0.680 2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -7.433 -1.553 1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -6.040 -2.615 1.855 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -6.571 0.654 3.616 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -5.574 1.583 2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -7.137 0.912 1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -7.433 -2.930 3.842 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -5.836 -2.288 4.294 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -7.251 -1.209 4.258 1.00 0.00 H new ATOM 1120 N VAL A 161 -4.724 1.585 -0.611 1.00 0.00 N ATOM 1121 CA VAL A 161 -4.099 2.866 -0.920 1.00 0.00 C ATOM 1122 C VAL A 161 -4.937 4.027 -0.397 1.00 0.00 C ATOM 1123 O VAL A 161 -6.113 4.156 -0.733 1.00 0.00 O ATOM 1124 CB VAL A 161 -3.892 3.038 -2.436 1.00 0.00 C ATOM 1125 CG1 VAL A 161 -3.056 4.276 -2.724 1.00 0.00 C ATOM 1126 CG2 VAL A 161 -3.242 1.797 -3.030 1.00 0.00 C ATOM 0 H VAL A 161 -5.429 1.287 -1.285 1.00 0.00 H new ATOM 0 HA VAL A 161 -3.128 2.872 -0.425 1.00 0.00 H new ATOM 0 HB VAL A 161 -4.867 3.169 -2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -2.920 4.381 -3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -3.565 5.158 -2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -2.083 4.178 -2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -3.103 1.937 -4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -2.274 1.632 -2.557 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -3.883 0.932 -2.857 1.00 0.00 H new ATOM 1136 N GLN A 162 -4.322 4.869 0.427 1.00 0.00 N ATOM 1137 CA GLN A 162 -5.012 6.020 0.997 1.00 0.00 C ATOM 1138 C GLN A 162 -4.144 7.272 0.913 1.00 0.00 C ATOM 1139 O GLN A 162 -3.011 7.223 0.434 1.00 0.00 O ATOM 1140 CB GLN A 162 -5.392 5.745 2.453 1.00 0.00 C ATOM 1141 CG GLN A 162 -6.464 4.680 2.611 1.00 0.00 C ATOM 1142 CD GLN A 162 -6.383 3.963 3.944 1.00 0.00 C ATOM 1143 OE1 GLN A 162 -5.295 3.714 4.463 1.00 0.00 O ATOM 1144 NE2 GLN A 162 -7.538 3.627 4.507 1.00 0.00 N ATOM 0 H GLN A 162 -3.348 4.776 0.715 1.00 0.00 H new ATOM 0 HA GLN A 162 -5.920 6.190 0.418 1.00 0.00 H new ATOM 0 HB2 GLN A 162 -4.501 5.436 3.000 1.00 0.00 H new ATOM 0 HB3 GLN A 162 -5.741 6.671 2.910 1.00 0.00 H new ATOM 0 HG2 GLN A 162 -7.446 5.141 2.510 1.00 0.00 H new ATOM 0 HG3 GLN A 162 -6.369 3.952 1.805 1.00 0.00 H new ATOM 0 HE21 GLN A 162 -8.417 3.853 4.042 1.00 0.00 H new ATOM 0 HE22 GLN A 162 -7.546 3.143 5.405 1.00 0.00 H new ATOM 1153 N LEU A 163 -4.683 8.392 1.382 1.00 0.00 N ATOM 1154 CA LEU A 163 -3.958 9.657 1.360 1.00 0.00 C ATOM 1155 C LEU A 163 -3.250 9.902 2.688 1.00 0.00 C ATOM 1156 O LEU A 163 -3.574 9.278 3.698 1.00 0.00 O ATOM 1157 CB LEU A 163 -4.916 10.812 1.059 1.00 0.00 C ATOM 1158 CG LEU A 163 -4.285 12.202 0.970 1.00 0.00 C ATOM 1159 CD1 LEU A 163 -3.376 12.298 -0.245 1.00 0.00 C ATOM 1160 CD2 LEU A 163 -5.363 13.274 0.918 1.00 0.00 C ATOM 0 H LEU A 163 -5.620 8.450 1.782 1.00 0.00 H new ATOM 0 HA LEU A 163 -3.206 9.602 0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -5.420 10.603 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -5.683 10.832 1.833 1.00 0.00 H new ATOM 0 HG LEU A 163 -3.682 12.365 1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -2.936 13.294 -0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -2.583 11.554 -0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -3.957 12.115 -1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -4.896 14.257 0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -5.993 13.115 0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -5.974 13.220 1.819 1.00 0.00 H new