USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 467 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 172 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 222 GLN : amide:sc= -0.83 K(o=-0.75,f=-4.3!) USER MOD Set 1.3: A 225 SER OG : rot -168:sc= 0.0798 USER MOD Single : A 171 GLN : amide:sc= 0.704 K(o=0.7,f=-0.69) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 174 ASN : amide:sc= -0.0412 K(o=-0.041,f=-1.3!) USER MOD Single : A 175 GLN : amide:sc= -0.678 X(o=-0.68,f=-0.34) USER MOD Single : A 176 ASN : amide:sc= -0.289 K(o=-0.29,f=-4.4!) USER MOD Single : A 177 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 180 HIS : no HD1:sc= 0 X(o=0,f=-0.00074) USER MOD Single : A 184 ASN : amide:sc= -0.241 K(o=-0.24,f=-2!) USER MOD Single : A 186 THR OG1 : rot -101:sc= -0.487! USER MOD Single : A 188 LYS NZ :NH3+ -153:sc= -0.141 (180deg=-0.816) USER MOD Single : A 189 GLN :FLIP amide:sc= -0.272 F(o=-2.4!,f=-0.27) USER MOD Single : A 190 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-5.6!) USER MOD Single : A 191 THR OG1 : rot -79:sc= 1.23 USER MOD Single : A 193 THR OG1 : rot 79:sc= 1.16 USER MOD Single : A 194 THR OG1 : rot 149:sc= 1.32 USER MOD Single : A 195 THR OG1 : rot 82:sc= 1.24 USER MOD Single : A 196 THR OG1 : rot -79:sc= 0.78 USER MOD Single : A 197 LYS NZ :NH3+ -115:sc= 0.19 (180deg=0) USER MOD Single : A 200 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 202 THR OG1 : rot 180:sc= -0.0887 USER MOD Single : A 204 THR OG1 : rot 180:sc= 0 USER MOD Single : A 207 LYS NZ :NH3+ -177:sc= 0.368 (180deg=0.366) USER MOD Single : A 209 MET CE :methyl -155:sc= -10.5! (180deg=-13.5!) USER MOD Single : A 215 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.11) USER MOD Single : A 216 MET CE :methyl -154:sc= -2.98! (180deg=-5.45) USER MOD Single : A 219 THR OG1 : rot 90:sc= 0.562 USER MOD Single : A 220 GLN :FLIP amide:sc= -0.344 F(o=-1.5,f=-0.34) USER MOD Single : A 221 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 GLN :FLIP amide:sc= -0.0632 F(o=-0.85,f=-0.063) USER MOD Single : A 228 TYR OH : rot 180:sc= 0 USER MOD Single : A 229 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N VAL A 169 17.135 4.655 0.952 1.00 0.00 N ATOM 40 CA VAL A 169 15.701 4.897 0.832 1.00 0.00 C ATOM 41 C VAL A 169 15.250 4.857 -0.623 1.00 0.00 C ATOM 42 O VAL A 169 14.267 5.507 -0.996 1.00 0.00 O ATOM 43 CB VAL A 169 15.289 6.260 1.414 1.00 0.00 C ATOM 44 CG1 VAL A 169 15.446 6.306 2.923 1.00 0.00 C ATOM 45 CG2 VAL A 169 16.109 7.361 0.771 1.00 0.00 C ATOM 0 HA VAL A 169 15.220 4.100 1.399 1.00 0.00 H new ATOM 0 HB VAL A 169 14.232 6.410 1.192 1.00 0.00 H new ATOM 0 HG11 VAL A 169 15.144 7.287 3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 169 14.819 5.539 3.378 1.00 0.00 H new ATOM 0 HG13 VAL A 169 16.488 6.125 3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 169 15.814 8.325 1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 169 17.167 7.190 0.969 1.00 0.00 H new ATOM 0 HG23 VAL A 169 15.937 7.362 -0.305 1.00 0.00 H new ATOM 55 N ASP A 170 15.974 4.103 -1.444 1.00 0.00 N ATOM 56 CA ASP A 170 15.654 3.964 -2.862 1.00 0.00 C ATOM 57 C ASP A 170 14.249 3.413 -3.061 1.00 0.00 C ATOM 58 O ASP A 170 13.750 3.349 -4.180 1.00 0.00 O ATOM 59 CB ASP A 170 16.672 3.065 -3.559 1.00 0.00 C ATOM 60 CG ASP A 170 18.034 3.714 -3.643 1.00 0.00 C ATOM 61 OD1 ASP A 170 18.761 3.705 -2.631 1.00 0.00 O ATOM 62 OD2 ASP A 170 18.378 4.252 -4.718 1.00 0.00 O ATOM 0 H ASP A 170 16.794 3.574 -1.148 1.00 0.00 H new ATOM 0 HA ASP A 170 15.697 4.958 -3.308 1.00 0.00 H new ATOM 0 HB2 ASP A 170 16.752 2.121 -3.019 1.00 0.00 H new ATOM 0 HB3 ASP A 170 16.320 2.829 -4.563 1.00 0.00 H new ATOM 67 N GLN A 171 13.616 3.033 -1.959 1.00 0.00 N ATOM 68 CA GLN A 171 12.226 2.620 -1.959 1.00 0.00 C ATOM 69 C GLN A 171 11.347 3.690 -2.604 1.00 0.00 C ATOM 70 O GLN A 171 10.545 3.388 -3.485 1.00 0.00 O ATOM 71 CB GLN A 171 11.760 2.325 -0.521 1.00 0.00 C ATOM 72 CG GLN A 171 12.121 0.926 -0.029 1.00 0.00 C ATOM 73 CD GLN A 171 13.591 0.593 -0.201 1.00 0.00 C ATOM 74 OE1 GLN A 171 14.007 0.089 -1.241 1.00 0.00 O ATOM 75 NE2 GLN A 171 14.385 0.861 0.819 1.00 0.00 N ATOM 0 H GLN A 171 14.056 3.004 -1.039 1.00 0.00 H new ATOM 0 HA GLN A 171 12.133 1.707 -2.547 1.00 0.00 H new ATOM 0 HB2 GLN A 171 12.201 3.061 0.152 1.00 0.00 H new ATOM 0 HB3 GLN A 171 10.679 2.451 -0.467 1.00 0.00 H new ATOM 0 HG2 GLN A 171 11.856 0.839 1.025 1.00 0.00 H new ATOM 0 HG3 GLN A 171 11.523 0.192 -0.570 1.00 0.00 H new ATOM 0 HE21 GLN A 171 14.003 1.280 1.667 1.00 0.00 H new ATOM 0 HE22 GLN A 171 15.381 0.649 0.759 1.00 0.00 H new ATOM 84 N TYR A 172 11.519 4.945 -2.208 1.00 0.00 N ATOM 85 CA TYR A 172 10.701 6.007 -2.776 1.00 0.00 C ATOM 86 C TYR A 172 11.311 6.531 -4.076 1.00 0.00 C ATOM 87 O TYR A 172 10.611 7.090 -4.917 1.00 0.00 O ATOM 88 CB TYR A 172 10.493 7.154 -1.790 1.00 0.00 C ATOM 89 CG TYR A 172 9.371 8.074 -2.218 1.00 0.00 C ATOM 90 CD1 TYR A 172 8.053 7.636 -2.189 1.00 0.00 C ATOM 91 CD2 TYR A 172 9.626 9.362 -2.675 1.00 0.00 C ATOM 92 CE1 TYR A 172 7.021 8.453 -2.597 1.00 0.00 C ATOM 93 CE2 TYR A 172 8.594 10.187 -3.088 1.00 0.00 C ATOM 94 CZ TYR A 172 7.294 9.726 -3.044 1.00 0.00 C ATOM 95 OH TYR A 172 6.263 10.540 -3.455 1.00 0.00 O ATOM 0 H TYR A 172 12.201 5.247 -1.512 1.00 0.00 H new ATOM 0 HA TYR A 172 9.725 5.575 -2.996 1.00 0.00 H new ATOM 0 HB2 TYR A 172 10.272 6.748 -0.803 1.00 0.00 H new ATOM 0 HB3 TYR A 172 11.416 7.726 -1.700 1.00 0.00 H new ATOM 0 HD1 TYR A 172 7.833 6.638 -1.841 1.00 0.00 H new ATOM 0 HD2 TYR A 172 10.643 9.724 -2.708 1.00 0.00 H new ATOM 0 HE1 TYR A 172 6.002 8.096 -2.566 1.00 0.00 H new ATOM 0 HE2 TYR A 172 8.805 11.185 -3.442 1.00 0.00 H new ATOM 0 HH TYR A 172 6.623 11.406 -3.740 1.00 0.00 H new ATOM 105 N SER A 173 12.621 6.372 -4.230 1.00 0.00 N ATOM 106 CA SER A 173 13.272 6.666 -5.506 1.00 0.00 C ATOM 107 C SER A 173 12.701 5.759 -6.609 1.00 0.00 C ATOM 108 O SER A 173 12.663 6.129 -7.783 1.00 0.00 O ATOM 109 CB SER A 173 14.788 6.477 -5.384 1.00 0.00 C ATOM 110 OG SER A 173 15.475 7.085 -6.468 1.00 0.00 O ATOM 0 H SER A 173 13.250 6.045 -3.497 1.00 0.00 H new ATOM 0 HA SER A 173 13.076 7.704 -5.773 1.00 0.00 H new ATOM 0 HB2 SER A 173 15.135 6.907 -4.444 1.00 0.00 H new ATOM 0 HB3 SER A 173 15.022 5.413 -5.354 1.00 0.00 H new ATOM 0 HG SER A 173 16.440 6.949 -6.361 1.00 0.00 H new ATOM 116 N ASN A 174 12.240 4.580 -6.205 1.00 0.00 N ATOM 117 CA ASN A 174 11.574 3.630 -7.101 1.00 0.00 C ATOM 118 C ASN A 174 10.068 3.875 -7.128 1.00 0.00 C ATOM 119 O ASN A 174 9.288 2.953 -7.364 1.00 0.00 O ATOM 120 CB ASN A 174 11.863 2.185 -6.674 1.00 0.00 C ATOM 121 CG ASN A 174 13.244 1.722 -7.096 1.00 0.00 C ATOM 122 OD1 ASN A 174 13.761 2.146 -8.131 1.00 0.00 O ATOM 123 ND2 ASN A 174 13.844 0.846 -6.306 1.00 0.00 N ATOM 0 H ASN A 174 12.316 4.251 -5.243 1.00 0.00 H new ATOM 0 HA ASN A 174 11.970 3.783 -8.105 1.00 0.00 H new ATOM 0 HB2 ASN A 174 11.771 2.104 -5.591 1.00 0.00 H new ATOM 0 HB3 ASN A 174 11.113 1.524 -7.108 1.00 0.00 H new ATOM 0 HD21 ASN A 174 14.771 0.495 -6.545 1.00 0.00 H new ATOM 0 HD22 ASN A 174 13.379 0.522 -5.458 1.00 0.00 H new ATOM 130 N GLN A 175 9.687 5.130 -6.880 1.00 0.00 N ATOM 131 CA GLN A 175 8.290 5.553 -6.733 1.00 0.00 C ATOM 132 C GLN A 175 7.376 4.897 -7.769 1.00 0.00 C ATOM 133 O GLN A 175 6.545 4.062 -7.424 1.00 0.00 O ATOM 134 CB GLN A 175 8.221 7.082 -6.873 1.00 0.00 C ATOM 135 CG GLN A 175 7.085 7.760 -6.114 1.00 0.00 C ATOM 136 CD GLN A 175 5.701 7.378 -6.601 1.00 0.00 C ATOM 137 OE1 GLN A 175 5.179 7.967 -7.546 1.00 0.00 O ATOM 138 NE2 GLN A 175 5.072 6.433 -5.922 1.00 0.00 N ATOM 0 H GLN A 175 10.352 5.896 -6.774 1.00 0.00 H new ATOM 0 HA GLN A 175 7.939 5.239 -5.750 1.00 0.00 H new ATOM 0 HB2 GLN A 175 9.166 7.504 -6.531 1.00 0.00 H new ATOM 0 HB3 GLN A 175 8.126 7.329 -7.930 1.00 0.00 H new ATOM 0 HG2 GLN A 175 7.168 7.509 -5.056 1.00 0.00 H new ATOM 0 HG3 GLN A 175 7.202 8.841 -6.196 1.00 0.00 H new ATOM 0 HE21 GLN A 175 5.539 5.967 -5.144 1.00 0.00 H new ATOM 0 HE22 GLN A 175 4.120 6.170 -6.177 1.00 0.00 H new ATOM 147 N ASN A 176 7.553 5.256 -9.032 1.00 0.00 N ATOM 148 CA ASN A 176 6.668 4.785 -10.100 1.00 0.00 C ATOM 149 C ASN A 176 6.683 3.265 -10.211 1.00 0.00 C ATOM 150 O ASN A 176 5.652 2.641 -10.472 1.00 0.00 O ATOM 151 CB ASN A 176 7.069 5.390 -11.450 1.00 0.00 C ATOM 152 CG ASN A 176 7.002 6.907 -11.483 1.00 0.00 C ATOM 153 OD1 ASN A 176 7.241 7.583 -10.480 1.00 0.00 O ATOM 154 ND2 ASN A 176 6.674 7.452 -12.640 1.00 0.00 N ATOM 0 H ASN A 176 8.301 5.873 -9.348 1.00 0.00 H new ATOM 0 HA ASN A 176 5.660 5.109 -9.842 1.00 0.00 H new ATOM 0 HB2 ASN A 176 8.084 5.075 -11.692 1.00 0.00 H new ATOM 0 HB3 ASN A 176 6.417 4.989 -12.226 1.00 0.00 H new ATOM 0 HD21 ASN A 176 6.611 8.466 -12.726 1.00 0.00 H new ATOM 0 HD22 ASN A 176 6.484 6.859 -13.447 1.00 0.00 H new ATOM 161 N ASN A 177 7.848 2.675 -9.994 1.00 0.00 N ATOM 162 CA ASN A 177 8.013 1.234 -10.137 1.00 0.00 C ATOM 163 C ASN A 177 7.217 0.489 -9.081 1.00 0.00 C ATOM 164 O ASN A 177 6.572 -0.517 -9.380 1.00 0.00 O ATOM 165 CB ASN A 177 9.491 0.835 -10.052 1.00 0.00 C ATOM 166 CG ASN A 177 10.316 1.402 -11.191 1.00 0.00 C ATOM 167 OD1 ASN A 177 9.805 1.648 -12.280 1.00 0.00 O ATOM 168 ND2 ASN A 177 11.605 1.606 -10.955 1.00 0.00 N ATOM 0 H ASN A 177 8.695 3.171 -9.718 1.00 0.00 H new ATOM 0 HA ASN A 177 7.635 0.959 -11.121 1.00 0.00 H new ATOM 0 HB2 ASN A 177 9.902 1.180 -9.104 1.00 0.00 H new ATOM 0 HB3 ASN A 177 9.571 -0.252 -10.057 1.00 0.00 H new ATOM 0 HD21 ASN A 177 12.205 1.979 -11.691 1.00 0.00 H new ATOM 0 HD22 ASN A 177 11.996 1.390 -10.038 1.00 0.00 H new ATOM 175 N PHE A 178 7.232 0.983 -7.852 1.00 0.00 N ATOM 176 CA PHE A 178 6.533 0.288 -6.792 1.00 0.00 C ATOM 177 C PHE A 178 5.035 0.565 -6.856 1.00 0.00 C ATOM 178 O PHE A 178 4.243 -0.197 -6.316 1.00 0.00 O ATOM 179 CB PHE A 178 7.114 0.602 -5.402 1.00 0.00 C ATOM 180 CG PHE A 178 6.683 1.898 -4.765 1.00 0.00 C ATOM 181 CD1 PHE A 178 5.397 2.059 -4.272 1.00 0.00 C ATOM 182 CD2 PHE A 178 7.587 2.933 -4.608 1.00 0.00 C ATOM 183 CE1 PHE A 178 5.020 3.229 -3.650 1.00 0.00 C ATOM 184 CE2 PHE A 178 7.213 4.101 -3.974 1.00 0.00 C ATOM 185 CZ PHE A 178 5.933 4.250 -3.499 1.00 0.00 C ATOM 0 H PHE A 178 7.708 1.840 -7.572 1.00 0.00 H new ATOM 0 HA PHE A 178 6.683 -0.780 -6.951 1.00 0.00 H new ATOM 0 HB2 PHE A 178 6.847 -0.213 -4.729 1.00 0.00 H new ATOM 0 HB3 PHE A 178 8.201 0.607 -5.481 1.00 0.00 H new ATOM 0 HD1 PHE A 178 4.682 1.257 -4.377 1.00 0.00 H new ATOM 0 HD2 PHE A 178 8.594 2.827 -4.984 1.00 0.00 H new ATOM 0 HE1 PHE A 178 4.011 3.346 -3.282 1.00 0.00 H new ATOM 0 HE2 PHE A 178 7.929 4.900 -3.851 1.00 0.00 H new ATOM 0 HZ PHE A 178 5.642 5.167 -3.008 1.00 0.00 H new ATOM 195 N VAL A 179 4.634 1.646 -7.513 1.00 0.00 N ATOM 196 CA VAL A 179 3.212 1.871 -7.717 1.00 0.00 C ATOM 197 C VAL A 179 2.660 0.729 -8.551 1.00 0.00 C ATOM 198 O VAL A 179 1.703 0.065 -8.163 1.00 0.00 O ATOM 199 CB VAL A 179 2.900 3.210 -8.421 1.00 0.00 C ATOM 200 CG1 VAL A 179 1.404 3.477 -8.419 1.00 0.00 C ATOM 201 CG2 VAL A 179 3.627 4.358 -7.756 1.00 0.00 C ATOM 0 H VAL A 179 5.251 2.359 -7.902 1.00 0.00 H new ATOM 0 HA VAL A 179 2.743 1.917 -6.734 1.00 0.00 H new ATOM 0 HB VAL A 179 3.247 3.132 -9.451 1.00 0.00 H new ATOM 0 HG11 VAL A 179 1.203 4.424 -8.919 1.00 0.00 H new ATOM 0 HG12 VAL A 179 0.890 2.673 -8.945 1.00 0.00 H new ATOM 0 HG13 VAL A 179 1.044 3.526 -7.391 1.00 0.00 H new ATOM 0 HG21 VAL A 179 3.389 5.288 -8.273 1.00 0.00 H new ATOM 0 HG22 VAL A 179 3.315 4.431 -6.714 1.00 0.00 H new ATOM 0 HG23 VAL A 179 4.702 4.183 -7.801 1.00 0.00 H new ATOM 211 N HIS A 180 3.325 0.448 -9.657 1.00 0.00 N ATOM 212 CA HIS A 180 2.899 -0.630 -10.525 1.00 0.00 C ATOM 213 C HIS A 180 3.074 -1.976 -9.824 1.00 0.00 C ATOM 214 O HIS A 180 2.104 -2.681 -9.563 1.00 0.00 O ATOM 215 CB HIS A 180 3.698 -0.608 -11.835 1.00 0.00 C ATOM 216 CG HIS A 180 3.236 -1.617 -12.845 1.00 0.00 C ATOM 217 ND1 HIS A 180 3.909 -2.802 -13.042 1.00 0.00 N ATOM 218 CD2 HIS A 180 2.178 -1.563 -13.689 1.00 0.00 C ATOM 219 CE1 HIS A 180 3.252 -3.437 -13.996 1.00 0.00 C ATOM 220 NE2 HIS A 180 2.195 -2.724 -14.419 1.00 0.00 N ATOM 0 H HIS A 180 4.156 0.948 -9.972 1.00 0.00 H new ATOM 0 HA HIS A 180 1.843 -0.491 -10.757 1.00 0.00 H new ATOM 0 HB2 HIS A 180 3.631 0.388 -12.274 1.00 0.00 H new ATOM 0 HB3 HIS A 180 4.750 -0.788 -11.611 1.00 0.00 H new ATOM 0 HD2 HIS A 180 1.460 -0.761 -13.771 1.00 0.00 H new ATOM 0 HE1 HIS A 180 3.529 -4.405 -14.386 1.00 0.00 H new ATOM 0 HE2 HIS A 180 1.531 -2.995 -15.145 1.00 0.00 H new ATOM 227 N ASP A 181 4.308 -2.295 -9.463 1.00 0.00 N ATOM 228 CA ASP A 181 4.625 -3.631 -8.965 1.00 0.00 C ATOM 229 C ASP A 181 4.131 -3.860 -7.537 1.00 0.00 C ATOM 230 O ASP A 181 3.416 -4.829 -7.272 1.00 0.00 O ATOM 231 CB ASP A 181 6.128 -3.885 -9.043 1.00 0.00 C ATOM 232 CG ASP A 181 6.489 -5.305 -8.666 1.00 0.00 C ATOM 233 OD1 ASP A 181 6.287 -6.210 -9.500 1.00 0.00 O ATOM 234 OD2 ASP A 181 6.981 -5.524 -7.539 1.00 0.00 O ATOM 0 H ASP A 181 5.102 -1.656 -9.504 1.00 0.00 H new ATOM 0 HA ASP A 181 4.099 -4.339 -9.606 1.00 0.00 H new ATOM 0 HB2 ASP A 181 6.477 -3.680 -10.055 1.00 0.00 H new ATOM 0 HB3 ASP A 181 6.647 -3.192 -8.380 1.00 0.00 H new ATOM 239 N CYS A 182 4.502 -2.971 -6.622 1.00 0.00 N ATOM 240 CA CYS A 182 4.150 -3.144 -5.213 1.00 0.00 C ATOM 241 C CYS A 182 2.649 -3.050 -5.020 1.00 0.00 C ATOM 242 O CYS A 182 2.074 -3.891 -4.336 1.00 0.00 O ATOM 243 CB CYS A 182 4.870 -2.119 -4.315 1.00 0.00 C ATOM 244 SG CYS A 182 4.669 -2.385 -2.517 1.00 0.00 S ATOM 0 H CYS A 182 5.042 -2.130 -6.826 1.00 0.00 H new ATOM 0 HA CYS A 182 4.482 -4.139 -4.915 1.00 0.00 H new ATOM 0 HB2 CYS A 182 5.934 -2.136 -4.552 1.00 0.00 H new ATOM 0 HB3 CYS A 182 4.504 -1.123 -4.562 1.00 0.00 H new ATOM 249 N VAL A 183 1.995 -2.063 -5.630 1.00 0.00 N ATOM 250 CA VAL A 183 0.567 -1.914 -5.413 1.00 0.00 C ATOM 251 C VAL A 183 -0.171 -3.116 -5.979 1.00 0.00 C ATOM 252 O VAL A 183 -1.170 -3.556 -5.422 1.00 0.00 O ATOM 253 CB VAL A 183 0.015 -0.610 -6.009 1.00 0.00 C ATOM 254 CG1 VAL A 183 -1.481 -0.500 -5.777 1.00 0.00 C ATOM 255 CG2 VAL A 183 0.740 0.579 -5.401 1.00 0.00 C ATOM 0 H VAL A 183 2.418 -1.378 -6.257 1.00 0.00 H new ATOM 0 HA VAL A 183 0.403 -1.861 -4.337 1.00 0.00 H new ATOM 0 HB VAL A 183 0.186 -0.617 -7.086 1.00 0.00 H new ATOM 0 HG11 VAL A 183 -1.848 0.431 -6.208 1.00 0.00 H new ATOM 0 HG12 VAL A 183 -1.985 -1.343 -6.250 1.00 0.00 H new ATOM 0 HG13 VAL A 183 -1.685 -0.510 -4.706 1.00 0.00 H new ATOM 0 HG21 VAL A 183 0.346 1.502 -5.826 1.00 0.00 H new ATOM 0 HG22 VAL A 183 0.590 0.584 -4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 183 1.806 0.506 -5.619 1.00 0.00 H new ATOM 265 N ASN A 184 0.342 -3.675 -7.063 1.00 0.00 N ATOM 266 CA ASN A 184 -0.230 -4.904 -7.598 1.00 0.00 C ATOM 267 C ASN A 184 -0.153 -6.035 -6.572 1.00 0.00 C ATOM 268 O ASN A 184 -1.174 -6.616 -6.219 1.00 0.00 O ATOM 269 CB ASN A 184 0.440 -5.330 -8.904 1.00 0.00 C ATOM 270 CG ASN A 184 -0.178 -4.661 -10.121 1.00 0.00 C ATOM 271 OD1 ASN A 184 -1.354 -4.294 -10.112 1.00 0.00 O ATOM 272 ND2 ASN A 184 0.596 -4.518 -11.183 1.00 0.00 N ATOM 0 H ASN A 184 1.139 -3.307 -7.583 1.00 0.00 H new ATOM 0 HA ASN A 184 -1.277 -4.696 -7.816 1.00 0.00 H new ATOM 0 HB2 ASN A 184 1.502 -5.087 -8.860 1.00 0.00 H new ATOM 0 HB3 ASN A 184 0.365 -6.412 -9.011 1.00 0.00 H new ATOM 0 HD21 ASN A 184 0.224 -4.092 -12.032 1.00 0.00 H new ATOM 0 HD22 ASN A 184 1.565 -4.834 -11.154 1.00 0.00 H new ATOM 279 N ILE A 185 1.044 -6.332 -6.069 1.00 0.00 N ATOM 280 CA ILE A 185 1.214 -7.420 -5.102 1.00 0.00 C ATOM 281 C ILE A 185 0.442 -7.161 -3.814 1.00 0.00 C ATOM 282 O ILE A 185 -0.115 -8.087 -3.227 1.00 0.00 O ATOM 283 CB ILE A 185 2.702 -7.724 -4.789 1.00 0.00 C ATOM 284 CG1 ILE A 185 3.444 -6.523 -4.188 1.00 0.00 C ATOM 285 CG2 ILE A 185 3.409 -8.202 -6.044 1.00 0.00 C ATOM 286 CD1 ILE A 185 3.473 -6.514 -2.669 1.00 0.00 C ATOM 0 H ILE A 185 1.905 -5.841 -6.311 1.00 0.00 H new ATOM 0 HA ILE A 185 0.797 -8.306 -5.581 1.00 0.00 H new ATOM 0 HB ILE A 185 2.714 -8.510 -4.034 1.00 0.00 H new ATOM 0 HG12 ILE A 185 4.468 -6.517 -4.561 1.00 0.00 H new ATOM 0 HG13 ILE A 185 2.972 -5.605 -4.538 1.00 0.00 H new ATOM 0 HG21 ILE A 185 4.454 -8.413 -5.815 1.00 0.00 H new ATOM 0 HG22 ILE A 185 2.927 -9.109 -6.410 1.00 0.00 H new ATOM 0 HG23 ILE A 185 3.355 -7.428 -6.809 1.00 0.00 H new ATOM 0 HD11 ILE A 185 4.015 -5.635 -2.321 1.00 0.00 H new ATOM 0 HD12 ILE A 185 2.453 -6.487 -2.286 1.00 0.00 H new ATOM 0 HD13 ILE A 185 3.972 -7.414 -2.309 1.00 0.00 H new ATOM 298 N THR A 186 0.400 -5.916 -3.372 1.00 0.00 N ATOM 299 CA THR A 186 -0.435 -5.568 -2.228 1.00 0.00 C ATOM 300 C THR A 186 -1.912 -5.759 -2.538 1.00 0.00 C ATOM 301 O THR A 186 -2.697 -6.074 -1.643 1.00 0.00 O ATOM 302 CB THR A 186 -0.175 -4.150 -1.687 1.00 0.00 C ATOM 303 OG1 THR A 186 0.152 -3.260 -2.750 1.00 0.00 O ATOM 304 CG2 THR A 186 0.937 -4.158 -0.647 1.00 0.00 C ATOM 0 H THR A 186 0.923 -5.139 -3.777 1.00 0.00 H new ATOM 0 HA THR A 186 -0.150 -6.260 -1.436 1.00 0.00 H new ATOM 0 HB THR A 186 -1.090 -3.802 -1.208 1.00 0.00 H new ATOM 0 HG1 THR A 186 1.123 -3.129 -2.780 1.00 0.00 H new ATOM 0 HG21 THR A 186 1.100 -3.144 -0.281 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.653 -4.802 0.185 1.00 0.00 H new ATOM 0 HG23 THR A 186 1.855 -4.533 -1.099 1.00 0.00 H new ATOM 312 N VAL A 187 -2.299 -5.565 -3.793 1.00 0.00 N ATOM 313 CA VAL A 187 -3.651 -5.904 -4.205 1.00 0.00 C ATOM 314 C VAL A 187 -3.889 -7.388 -3.986 1.00 0.00 C ATOM 315 O VAL A 187 -4.927 -7.787 -3.461 1.00 0.00 O ATOM 316 CB VAL A 187 -3.956 -5.549 -5.685 1.00 0.00 C ATOM 317 CG1 VAL A 187 -5.238 -6.228 -6.148 1.00 0.00 C ATOM 318 CG2 VAL A 187 -4.071 -4.045 -5.875 1.00 0.00 C ATOM 0 H VAL A 187 -1.707 -5.182 -4.530 1.00 0.00 H new ATOM 0 HA VAL A 187 -4.323 -5.304 -3.592 1.00 0.00 H new ATOM 0 HB VAL A 187 -3.125 -5.912 -6.290 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -5.433 -5.966 -7.188 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -5.129 -7.309 -6.060 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -6.070 -5.896 -5.528 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -4.285 -3.826 -6.921 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -4.878 -3.660 -5.251 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -3.133 -3.569 -5.589 1.00 0.00 H new ATOM 328 N LYS A 188 -2.908 -8.203 -4.367 1.00 0.00 N ATOM 329 CA LYS A 188 -2.977 -9.632 -4.130 1.00 0.00 C ATOM 330 C LYS A 188 -3.155 -9.900 -2.637 1.00 0.00 C ATOM 331 O LYS A 188 -4.020 -10.665 -2.231 1.00 0.00 O ATOM 332 CB LYS A 188 -1.706 -10.332 -4.626 1.00 0.00 C ATOM 333 CG LYS A 188 -1.685 -10.691 -6.109 1.00 0.00 C ATOM 334 CD LYS A 188 -1.339 -9.510 -7.013 1.00 0.00 C ATOM 335 CE LYS A 188 -2.580 -8.793 -7.523 1.00 0.00 C ATOM 336 NZ LYS A 188 -3.474 -9.693 -8.302 1.00 0.00 N ATOM 0 H LYS A 188 -2.059 -7.893 -4.840 1.00 0.00 H new ATOM 0 HA LYS A 188 -3.830 -10.029 -4.681 1.00 0.00 H new ATOM 0 HB2 LYS A 188 -0.852 -9.688 -4.415 1.00 0.00 H new ATOM 0 HB3 LYS A 188 -1.567 -11.245 -4.048 1.00 0.00 H new ATOM 0 HG2 LYS A 188 -0.960 -11.489 -6.272 1.00 0.00 H new ATOM 0 HG3 LYS A 188 -2.661 -11.084 -6.394 1.00 0.00 H new ATOM 0 HD2 LYS A 188 -0.714 -8.805 -6.464 1.00 0.00 H new ATOM 0 HD3 LYS A 188 -0.752 -9.863 -7.861 1.00 0.00 H new ATOM 0 HE2 LYS A 188 -3.131 -8.380 -6.678 1.00 0.00 H new ATOM 0 HE3 LYS A 188 -2.280 -7.953 -8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 -4.021 -9.132 -8.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 -2.901 -10.396 -8.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 -4.126 -10.180 -7.654 1.00 0.00 H new ATOM 350 N GLN A 189 -2.342 -9.224 -1.835 1.00 0.00 N ATOM 351 CA GLN A 189 -2.386 -9.332 -0.380 1.00 0.00 C ATOM 352 C GLN A 189 -3.771 -9.010 0.165 1.00 0.00 C ATOM 353 O GLN A 189 -4.346 -9.779 0.943 1.00 0.00 O ATOM 354 CB GLN A 189 -1.362 -8.364 0.211 1.00 0.00 C ATOM 355 CG GLN A 189 -1.223 -8.434 1.717 1.00 0.00 C ATOM 356 CD GLN A 189 0.103 -7.867 2.173 1.00 0.00 C ATOM 357 OE1 GLN A 189 1.124 -8.053 1.349 1.00 0.00 O flip ATOM 358 NE2 GLN A 189 0.216 -7.295 3.254 1.00 0.00 N flip ATOM 0 H GLN A 189 -1.628 -8.581 -2.177 1.00 0.00 H new ATOM 0 HA GLN A 189 -2.152 -10.359 -0.098 1.00 0.00 H new ATOM 0 HB2 GLN A 189 -0.390 -8.564 -0.240 1.00 0.00 H new ATOM 0 HB3 GLN A 189 -1.639 -7.348 -0.068 1.00 0.00 H new ATOM 0 HG2 GLN A 189 -2.038 -7.882 2.186 1.00 0.00 H new ATOM 0 HG3 GLN A 189 -1.310 -9.470 2.045 1.00 0.00 H new ATOM 0 HE21 GLN A 189 -0.599 -7.175 3.855 1.00 0.00 H new ATOM 0 HE22 GLN A 189 1.125 -6.940 3.550 1.00 0.00 H new ATOM 367 N HIS A 190 -4.302 -7.876 -0.253 1.00 0.00 N ATOM 368 CA HIS A 190 -5.577 -7.402 0.249 1.00 0.00 C ATOM 369 C HIS A 190 -6.708 -8.308 -0.220 1.00 0.00 C ATOM 370 O HIS A 190 -7.564 -8.701 0.572 1.00 0.00 O ATOM 371 CB HIS A 190 -5.820 -5.968 -0.205 1.00 0.00 C ATOM 372 CG HIS A 190 -6.366 -5.086 0.876 1.00 0.00 C ATOM 373 ND1 HIS A 190 -7.576 -4.453 0.751 1.00 0.00 N ATOM 374 CD2 HIS A 190 -5.812 -4.749 2.067 1.00 0.00 C ATOM 375 CE1 HIS A 190 -7.736 -3.747 1.857 1.00 0.00 C ATOM 376 NE2 HIS A 190 -6.690 -3.897 2.686 1.00 0.00 N ATOM 0 H HIS A 190 -3.867 -7.264 -0.943 1.00 0.00 H new ATOM 0 HA HIS A 190 -5.551 -7.424 1.338 1.00 0.00 H new ATOM 0 HB2 HIS A 190 -4.883 -5.546 -0.569 1.00 0.00 H new ATOM 0 HB3 HIS A 190 -6.515 -5.973 -1.045 1.00 0.00 H new ATOM 0 HD2 HIS A 190 -4.862 -5.087 2.454 1.00 0.00 H new ATOM 0 HE1 HIS A 190 -8.597 -3.129 2.067 1.00 0.00 H new ATOM 0 HE2 HIS A 190 -6.572 -3.461 3.600 1.00 0.00 H new ATOM 383 N THR A 191 -6.692 -8.658 -1.502 1.00 0.00 N ATOM 384 CA THR A 191 -7.714 -9.533 -2.057 1.00 0.00 C ATOM 385 C THR A 191 -7.683 -10.900 -1.378 1.00 0.00 C ATOM 386 O THR A 191 -8.729 -11.456 -1.066 1.00 0.00 O ATOM 387 CB THR A 191 -7.577 -9.702 -3.586 1.00 0.00 C ATOM 388 OG1 THR A 191 -6.239 -10.075 -3.935 1.00 0.00 O ATOM 389 CG2 THR A 191 -7.950 -8.416 -4.305 1.00 0.00 C ATOM 0 H THR A 191 -5.986 -8.350 -2.171 1.00 0.00 H new ATOM 0 HA THR A 191 -8.674 -9.055 -1.863 1.00 0.00 H new ATOM 0 HB THR A 191 -8.260 -10.493 -3.897 1.00 0.00 H new ATOM 0 HG1 THR A 191 -5.666 -9.280 -3.929 1.00 0.00 H new ATOM 0 HG21 THR A 191 -7.846 -8.557 -5.381 1.00 0.00 H new ATOM 0 HG22 THR A 191 -8.982 -8.155 -4.071 1.00 0.00 H new ATOM 0 HG23 THR A 191 -7.289 -7.612 -3.979 1.00 0.00 H new ATOM 397 N VAL A 192 -6.482 -11.424 -1.131 1.00 0.00 N ATOM 398 CA VAL A 192 -6.327 -12.690 -0.414 1.00 0.00 C ATOM 399 C VAL A 192 -6.953 -12.605 0.976 1.00 0.00 C ATOM 400 O VAL A 192 -7.733 -13.476 1.376 1.00 0.00 O ATOM 401 CB VAL A 192 -4.839 -13.107 -0.293 1.00 0.00 C ATOM 402 CG1 VAL A 192 -4.665 -14.209 0.744 1.00 0.00 C ATOM 403 CG2 VAL A 192 -4.314 -13.579 -1.640 1.00 0.00 C ATOM 0 H VAL A 192 -5.603 -10.992 -1.417 1.00 0.00 H new ATOM 0 HA VAL A 192 -6.846 -13.452 -0.996 1.00 0.00 H new ATOM 0 HB VAL A 192 -4.269 -12.236 0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 192 -3.612 -14.484 0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 192 -5.008 -13.852 1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 192 -5.250 -15.081 0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 192 -3.268 -13.869 -1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 192 -4.898 -14.435 -1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 192 -4.400 -12.772 -2.367 1.00 0.00 H new ATOM 413 N THR A 193 -6.623 -11.543 1.701 1.00 0.00 N ATOM 414 CA THR A 193 -7.168 -11.329 3.034 1.00 0.00 C ATOM 415 C THR A 193 -8.695 -11.233 2.985 1.00 0.00 C ATOM 416 O THR A 193 -9.396 -11.898 3.746 1.00 0.00 O ATOM 417 CB THR A 193 -6.592 -10.046 3.662 1.00 0.00 C ATOM 418 OG1 THR A 193 -5.160 -10.062 3.565 1.00 0.00 O ATOM 419 CG2 THR A 193 -6.996 -9.921 5.123 1.00 0.00 C ATOM 0 H THR A 193 -5.980 -10.816 1.387 1.00 0.00 H new ATOM 0 HA THR A 193 -6.884 -12.183 3.649 1.00 0.00 H new ATOM 0 HB THR A 193 -6.994 -9.191 3.118 1.00 0.00 H new ATOM 0 HG1 THR A 193 -4.891 -9.804 2.659 1.00 0.00 H new ATOM 0 HG21 THR A 193 -6.575 -9.006 5.540 1.00 0.00 H new ATOM 0 HG22 THR A 193 -8.083 -9.888 5.198 1.00 0.00 H new ATOM 0 HG23 THR A 193 -6.620 -10.780 5.679 1.00 0.00 H new ATOM 427 N THR A 194 -9.196 -10.434 2.059 1.00 0.00 N ATOM 428 CA THR A 194 -10.629 -10.222 1.914 1.00 0.00 C ATOM 429 C THR A 194 -11.345 -11.465 1.365 1.00 0.00 C ATOM 430 O THR A 194 -12.557 -11.618 1.510 1.00 0.00 O ATOM 431 CB THR A 194 -10.890 -9.022 0.997 1.00 0.00 C ATOM 432 OG1 THR A 194 -10.243 -7.857 1.526 1.00 0.00 O ATOM 433 CG2 THR A 194 -12.374 -8.756 0.845 1.00 0.00 C ATOM 0 H THR A 194 -8.627 -9.916 1.390 1.00 0.00 H new ATOM 0 HA THR A 194 -11.032 -10.023 2.907 1.00 0.00 H new ATOM 0 HB THR A 194 -10.484 -9.255 0.013 1.00 0.00 H new ATOM 0 HG1 THR A 194 -9.973 -7.270 0.789 1.00 0.00 H new ATOM 0 HG21 THR A 194 -12.525 -7.899 0.189 1.00 0.00 H new ATOM 0 HG22 THR A 194 -12.858 -9.632 0.414 1.00 0.00 H new ATOM 0 HG23 THR A 194 -12.808 -8.545 1.822 1.00 0.00 H new ATOM 441 N THR A 195 -10.606 -12.349 0.730 1.00 0.00 N ATOM 442 CA THR A 195 -11.175 -13.600 0.276 1.00 0.00 C ATOM 443 C THR A 195 -11.308 -14.564 1.445 1.00 0.00 C ATOM 444 O THR A 195 -12.340 -15.189 1.641 1.00 0.00 O ATOM 445 CB THR A 195 -10.318 -14.247 -0.830 1.00 0.00 C ATOM 446 OG1 THR A 195 -10.223 -13.365 -1.956 1.00 0.00 O ATOM 447 CG2 THR A 195 -10.913 -15.572 -1.270 1.00 0.00 C ATOM 0 H THR A 195 -9.616 -12.226 0.517 1.00 0.00 H new ATOM 0 HA THR A 195 -12.159 -13.384 -0.140 1.00 0.00 H new ATOM 0 HB THR A 195 -9.322 -14.430 -0.426 1.00 0.00 H new ATOM 0 HG1 THR A 195 -9.524 -12.699 -1.791 1.00 0.00 H new ATOM 0 HG21 THR A 195 -10.291 -16.009 -2.051 1.00 0.00 H new ATOM 0 HG22 THR A 195 -10.958 -16.251 -0.419 1.00 0.00 H new ATOM 0 HG23 THR A 195 -11.919 -15.409 -1.657 1.00 0.00 H new ATOM 455 N THR A 196 -10.272 -14.644 2.253 1.00 0.00 N ATOM 456 CA THR A 196 -10.232 -15.627 3.314 1.00 0.00 C ATOM 457 C THR A 196 -10.929 -15.121 4.584 1.00 0.00 C ATOM 458 O THR A 196 -11.159 -15.884 5.523 1.00 0.00 O ATOM 459 CB THR A 196 -8.777 -16.027 3.616 1.00 0.00 C ATOM 460 OG1 THR A 196 -7.995 -14.850 3.873 1.00 0.00 O ATOM 461 CG2 THR A 196 -8.176 -16.781 2.441 1.00 0.00 C ATOM 0 H THR A 196 -9.450 -14.043 2.196 1.00 0.00 H new ATOM 0 HA THR A 196 -10.777 -16.507 2.973 1.00 0.00 H new ATOM 0 HB THR A 196 -8.771 -16.674 4.493 1.00 0.00 H new ATOM 0 HG1 THR A 196 -7.757 -14.424 3.023 1.00 0.00 H new ATOM 0 HG21 THR A 196 -7.147 -17.056 2.673 1.00 0.00 H new ATOM 0 HG22 THR A 196 -8.758 -17.683 2.251 1.00 0.00 H new ATOM 0 HG23 THR A 196 -8.191 -16.146 1.555 1.00 0.00 H new ATOM 469 N LYS A 197 -11.266 -13.830 4.604 1.00 0.00 N ATOM 470 CA LYS A 197 -12.112 -13.264 5.662 1.00 0.00 C ATOM 471 C LYS A 197 -13.508 -13.873 5.570 1.00 0.00 C ATOM 472 O LYS A 197 -14.328 -13.766 6.482 1.00 0.00 O ATOM 473 CB LYS A 197 -12.238 -11.744 5.492 1.00 0.00 C ATOM 474 CG LYS A 197 -13.174 -11.367 4.354 1.00 0.00 C ATOM 475 CD LYS A 197 -13.387 -9.870 4.243 1.00 0.00 C ATOM 476 CE LYS A 197 -14.493 -9.549 3.239 1.00 0.00 C ATOM 477 NZ LYS A 197 -14.983 -8.152 3.375 1.00 0.00 N ATOM 0 H LYS A 197 -10.967 -13.155 3.900 1.00 0.00 H new ATOM 0 HA LYS A 197 -11.657 -13.487 6.627 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -12.603 -11.306 6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -11.252 -11.318 5.305 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -12.767 -11.743 3.415 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -14.136 -11.857 4.503 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -13.648 -9.462 5.220 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -12.459 -9.389 3.934 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -14.120 -9.705 2.227 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -15.324 -10.240 3.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -15.976 -8.161 3.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -14.406 -7.649 4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -14.910 -7.668 2.458 1.00 0.00 H new ATOM 491 N GLY A 198 -13.747 -14.514 4.443 1.00 0.00 N ATOM 492 CA GLY A 198 -15.064 -14.932 4.057 1.00 0.00 C ATOM 493 C GLY A 198 -15.301 -14.501 2.639 1.00 0.00 C ATOM 494 O GLY A 198 -15.555 -13.326 2.385 1.00 0.00 O ATOM 0 H GLY A 198 -13.021 -14.758 3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 198 -15.160 -16.014 4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 198 -15.811 -14.491 4.717 1.00 0.00 H new ATOM 498 N GLU A 199 -15.147 -15.444 1.723 1.00 0.00 N ATOM 499 CA GLU A 199 -15.142 -15.175 0.297 1.00 0.00 C ATOM 500 C GLU A 199 -16.433 -14.491 -0.149 1.00 0.00 C ATOM 501 O GLU A 199 -17.407 -15.143 -0.524 1.00 0.00 O ATOM 502 CB GLU A 199 -14.931 -16.484 -0.468 1.00 0.00 C ATOM 503 CG GLU A 199 -13.730 -17.289 -0.007 1.00 0.00 C ATOM 504 CD GLU A 199 -13.543 -18.564 -0.803 1.00 0.00 C ATOM 505 OE1 GLU A 199 -14.248 -19.554 -0.521 1.00 0.00 O ATOM 506 OE2 GLU A 199 -12.685 -18.585 -1.711 1.00 0.00 O ATOM 0 H GLU A 199 -15.021 -16.429 1.954 1.00 0.00 H new ATOM 0 HA GLU A 199 -14.322 -14.491 0.077 1.00 0.00 H new ATOM 0 HB2 GLU A 199 -15.826 -17.098 -0.368 1.00 0.00 H new ATOM 0 HB3 GLU A 199 -14.817 -16.258 -1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 199 -12.832 -16.677 -0.093 1.00 0.00 H new ATOM 0 HG3 GLU A 199 -13.847 -17.537 1.048 1.00 0.00 H new ATOM 513 N ASN A 200 -16.429 -13.171 -0.066 1.00 0.00 N ATOM 514 CA ASN A 200 -17.557 -12.352 -0.503 1.00 0.00 C ATOM 515 C ASN A 200 -17.061 -11.195 -1.361 1.00 0.00 C ATOM 516 O ASN A 200 -17.372 -11.143 -2.550 1.00 0.00 O ATOM 517 CB ASN A 200 -18.340 -11.822 0.705 1.00 0.00 C ATOM 518 CG ASN A 200 -19.577 -11.040 0.301 1.00 0.00 C ATOM 519 OD1 ASN A 200 -20.174 -11.288 -0.748 1.00 0.00 O ATOM 520 ND2 ASN A 200 -19.973 -10.092 1.135 1.00 0.00 N ATOM 0 H ASN A 200 -15.646 -12.633 0.305 1.00 0.00 H new ATOM 0 HA ASN A 200 -18.226 -12.972 -1.099 1.00 0.00 H new ATOM 0 HB2 ASN A 200 -18.634 -12.659 1.338 1.00 0.00 H new ATOM 0 HB3 ASN A 200 -17.690 -11.183 1.303 1.00 0.00 H new ATOM 0 HD21 ASN A 200 -20.800 -9.536 0.919 1.00 0.00 H new ATOM 0 HD22 ASN A 200 -19.451 -9.918 1.994 1.00 0.00 H new ATOM 527 N PHE A 201 -16.280 -10.286 -0.753 1.00 0.00 N ATOM 528 CA PHE A 201 -15.643 -9.163 -1.463 1.00 0.00 C ATOM 529 C PHE A 201 -16.545 -8.540 -2.537 1.00 0.00 C ATOM 530 O PHE A 201 -17.415 -7.734 -2.211 1.00 0.00 O ATOM 531 CB PHE A 201 -14.260 -9.568 -2.013 1.00 0.00 C ATOM 532 CG PHE A 201 -14.149 -10.959 -2.601 1.00 0.00 C ATOM 533 CD1 PHE A 201 -14.400 -11.193 -3.944 1.00 0.00 C ATOM 534 CD2 PHE A 201 -13.769 -12.029 -1.806 1.00 0.00 C ATOM 535 CE1 PHE A 201 -14.282 -12.462 -4.480 1.00 0.00 C ATOM 536 CE2 PHE A 201 -13.648 -13.299 -2.337 1.00 0.00 C ATOM 537 CZ PHE A 201 -13.905 -13.516 -3.675 1.00 0.00 C ATOM 0 H PHE A 201 -16.072 -10.309 0.245 1.00 0.00 H new ATOM 0 HA PHE A 201 -15.485 -8.373 -0.729 1.00 0.00 H new ATOM 0 HB2 PHE A 201 -13.974 -8.849 -2.781 1.00 0.00 H new ATOM 0 HB3 PHE A 201 -13.532 -9.479 -1.206 1.00 0.00 H new ATOM 0 HD1 PHE A 201 -14.692 -10.372 -4.581 1.00 0.00 H new ATOM 0 HD2 PHE A 201 -13.565 -11.868 -0.758 1.00 0.00 H new ATOM 0 HE1 PHE A 201 -14.485 -12.627 -5.528 1.00 0.00 H new ATOM 0 HE2 PHE A 201 -13.352 -14.122 -1.704 1.00 0.00 H new ATOM 0 HZ PHE A 201 -13.811 -14.508 -4.091 1.00 0.00 H new ATOM 547 N THR A 202 -16.319 -8.912 -3.794 1.00 0.00 N ATOM 548 CA THR A 202 -17.102 -8.439 -4.951 1.00 0.00 C ATOM 549 C THR A 202 -16.387 -7.230 -5.519 1.00 0.00 C ATOM 550 O THR A 202 -15.724 -6.542 -4.756 1.00 0.00 O ATOM 551 CB THR A 202 -18.575 -8.068 -4.609 1.00 0.00 C ATOM 552 OG1 THR A 202 -19.179 -9.113 -3.828 1.00 0.00 O ATOM 553 CG2 THR A 202 -19.392 -7.860 -5.875 1.00 0.00 C ATOM 0 H THR A 202 -15.576 -9.562 -4.050 1.00 0.00 H new ATOM 0 HA THR A 202 -17.167 -9.256 -5.669 1.00 0.00 H new ATOM 0 HB THR A 202 -18.562 -7.139 -4.039 1.00 0.00 H new ATOM 0 HG1 THR A 202 -20.104 -8.870 -3.616 1.00 0.00 H new ATOM 0 HG21 THR A 202 -20.417 -7.602 -5.608 1.00 0.00 H new ATOM 0 HG22 THR A 202 -18.955 -7.052 -6.461 1.00 0.00 H new ATOM 0 HG23 THR A 202 -19.390 -8.777 -6.464 1.00 0.00 H new ATOM 561 N GLU A 203 -16.463 -6.979 -6.827 1.00 0.00 N ATOM 562 CA GLU A 203 -15.646 -5.920 -7.441 1.00 0.00 C ATOM 563 C GLU A 203 -15.737 -4.614 -6.659 1.00 0.00 C ATOM 564 O GLU A 203 -14.764 -3.867 -6.586 1.00 0.00 O ATOM 565 CB GLU A 203 -16.036 -5.682 -8.895 1.00 0.00 C ATOM 566 CG GLU A 203 -15.246 -4.554 -9.546 1.00 0.00 C ATOM 567 CD GLU A 203 -15.735 -4.211 -10.934 1.00 0.00 C ATOM 568 OE1 GLU A 203 -15.520 -5.012 -11.863 1.00 0.00 O ATOM 569 OE2 GLU A 203 -16.350 -3.135 -11.097 1.00 0.00 O ATOM 0 H GLU A 203 -17.069 -7.482 -7.475 1.00 0.00 H new ATOM 0 HA GLU A 203 -14.613 -6.268 -7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 203 -15.882 -6.600 -9.462 1.00 0.00 H new ATOM 0 HB3 GLU A 203 -17.100 -5.450 -8.947 1.00 0.00 H new ATOM 0 HG2 GLU A 203 -15.306 -3.666 -8.917 1.00 0.00 H new ATOM 0 HG3 GLU A 203 -14.195 -4.838 -9.598 1.00 0.00 H new ATOM 576 N THR A 204 -16.879 -4.390 -6.019 1.00 0.00 N ATOM 577 CA THR A 204 -17.068 -3.239 -5.164 1.00 0.00 C ATOM 578 C THR A 204 -16.001 -3.211 -4.084 1.00 0.00 C ATOM 579 O THR A 204 -15.359 -2.187 -3.845 1.00 0.00 O ATOM 580 CB THR A 204 -18.431 -3.332 -4.470 1.00 0.00 C ATOM 581 OG1 THR A 204 -19.475 -3.425 -5.448 1.00 0.00 O ATOM 582 CG2 THR A 204 -18.650 -2.125 -3.574 1.00 0.00 C ATOM 0 H THR A 204 -17.693 -5.002 -6.082 1.00 0.00 H new ATOM 0 HA THR A 204 -17.008 -2.341 -5.778 1.00 0.00 H new ATOM 0 HB THR A 204 -18.450 -4.229 -3.851 1.00 0.00 H new ATOM 0 HG1 THR A 204 -20.342 -3.486 -4.996 1.00 0.00 H new ATOM 0 HG21 THR A 204 -19.622 -2.205 -3.088 1.00 0.00 H new ATOM 0 HG22 THR A 204 -17.867 -2.087 -2.816 1.00 0.00 H new ATOM 0 HG23 THR A 204 -18.618 -1.216 -4.174 1.00 0.00 H new ATOM 590 N ASP A 205 -15.806 -4.356 -3.462 1.00 0.00 N ATOM 591 CA ASP A 205 -14.829 -4.497 -2.413 1.00 0.00 C ATOM 592 C ASP A 205 -13.427 -4.495 -3.001 1.00 0.00 C ATOM 593 O ASP A 205 -12.615 -3.711 -2.572 1.00 0.00 O ATOM 594 CB ASP A 205 -15.065 -5.780 -1.621 1.00 0.00 C ATOM 595 CG ASP A 205 -14.394 -5.779 -0.258 1.00 0.00 C ATOM 596 OD1 ASP A 205 -13.418 -5.033 -0.058 1.00 0.00 O ATOM 597 OD2 ASP A 205 -14.855 -6.526 0.629 1.00 0.00 O ATOM 0 H ASP A 205 -16.321 -5.211 -3.672 1.00 0.00 H new ATOM 0 HA ASP A 205 -14.931 -3.651 -1.733 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -16.137 -5.925 -1.490 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -14.697 -6.628 -2.199 1.00 0.00 H new ATOM 602 N ILE A 206 -13.141 -5.351 -4.001 1.00 0.00 N ATOM 603 CA ILE A 206 -11.787 -5.439 -4.554 1.00 0.00 C ATOM 604 C ILE A 206 -11.265 -4.086 -5.047 1.00 0.00 C ATOM 605 O ILE A 206 -10.124 -3.725 -4.762 1.00 0.00 O ATOM 606 CB ILE A 206 -11.653 -6.472 -5.690 1.00 0.00 C ATOM 607 CG1 ILE A 206 -12.021 -7.870 -5.216 1.00 0.00 C ATOM 608 CG2 ILE A 206 -10.216 -6.499 -6.172 1.00 0.00 C ATOM 609 CD1 ILE A 206 -13.474 -8.220 -5.312 1.00 0.00 C ATOM 0 H ILE A 206 -13.820 -5.979 -4.432 1.00 0.00 H new ATOM 0 HA ILE A 206 -11.177 -5.775 -3.716 1.00 0.00 H new ATOM 0 HB ILE A 206 -12.332 -6.180 -6.491 1.00 0.00 H new ATOM 0 HG12 ILE A 206 -11.451 -8.594 -5.798 1.00 0.00 H new ATOM 0 HG13 ILE A 206 -11.707 -7.978 -4.178 1.00 0.00 H new ATOM 0 HG21 ILE A 206 -10.115 -7.228 -6.976 1.00 0.00 H new ATOM 0 HG22 ILE A 206 -9.937 -5.512 -6.541 1.00 0.00 H new ATOM 0 HG23 ILE A 206 -9.560 -6.776 -5.346 1.00 0.00 H new ATOM 0 HD11 ILE A 206 -13.628 -9.236 -4.950 1.00 0.00 H new ATOM 0 HD12 ILE A 206 -14.056 -7.526 -4.706 1.00 0.00 H new ATOM 0 HD13 ILE A 206 -13.797 -8.153 -6.351 1.00 0.00 H new ATOM 621 N LYS A 207 -12.086 -3.339 -5.771 1.00 0.00 N ATOM 622 CA LYS A 207 -11.677 -2.020 -6.244 1.00 0.00 C ATOM 623 C LYS A 207 -11.420 -1.113 -5.055 1.00 0.00 C ATOM 624 O LYS A 207 -10.400 -0.441 -5.004 1.00 0.00 O ATOM 625 CB LYS A 207 -12.719 -1.438 -7.214 1.00 0.00 C ATOM 626 CG LYS A 207 -14.008 -0.940 -6.576 1.00 0.00 C ATOM 627 CD LYS A 207 -15.146 -0.917 -7.592 1.00 0.00 C ATOM 628 CE LYS A 207 -14.778 -0.130 -8.841 1.00 0.00 C ATOM 629 NZ LYS A 207 -15.748 -0.358 -9.948 1.00 0.00 N ATOM 0 H LYS A 207 -13.029 -3.617 -6.042 1.00 0.00 H new ATOM 0 HA LYS A 207 -10.747 -2.106 -6.806 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -12.261 -0.611 -7.757 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -12.971 -2.202 -7.949 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -14.276 -1.584 -5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -13.855 0.061 -6.172 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -15.405 -1.939 -7.870 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -16.032 -0.477 -7.134 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -14.743 0.933 -8.603 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -13.779 -0.417 -9.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -15.434 0.156 -10.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -15.801 -1.375 -10.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -16.687 -0.014 -9.663 1.00 0.00 H new ATOM 643 N ALA A 208 -12.309 -1.155 -4.073 1.00 0.00 N ATOM 644 CA ALA A 208 -12.113 -0.411 -2.837 1.00 0.00 C ATOM 645 C ALA A 208 -10.823 -0.859 -2.137 1.00 0.00 C ATOM 646 O ALA A 208 -10.097 -0.039 -1.568 1.00 0.00 O ATOM 647 CB ALA A 208 -13.317 -0.575 -1.919 1.00 0.00 C ATOM 0 H ALA A 208 -13.173 -1.696 -4.108 1.00 0.00 H new ATOM 0 HA ALA A 208 -12.015 0.647 -3.081 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -13.153 -0.012 -1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -14.210 -0.200 -2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -13.451 -1.630 -1.679 1.00 0.00 H new ATOM 653 N MET A 209 -10.535 -2.160 -2.214 1.00 0.00 N ATOM 654 CA MET A 209 -9.305 -2.723 -1.675 1.00 0.00 C ATOM 655 C MET A 209 -8.119 -2.039 -2.330 1.00 0.00 C ATOM 656 O MET A 209 -7.262 -1.485 -1.656 1.00 0.00 O ATOM 657 CB MET A 209 -9.189 -4.239 -1.940 1.00 0.00 C ATOM 658 CG MET A 209 -10.346 -5.105 -1.449 1.00 0.00 C ATOM 659 SD MET A 209 -9.870 -6.839 -1.308 1.00 0.00 S ATOM 660 CE MET A 209 -11.235 -7.655 -2.136 1.00 0.00 C ATOM 0 H MET A 209 -11.149 -2.847 -2.651 1.00 0.00 H new ATOM 0 HA MET A 209 -9.318 -2.562 -0.597 1.00 0.00 H new ATOM 0 HB2 MET A 209 -9.081 -4.391 -3.014 1.00 0.00 H new ATOM 0 HB3 MET A 209 -8.272 -4.598 -1.473 1.00 0.00 H new ATOM 0 HG2 MET A 209 -10.687 -4.741 -0.480 1.00 0.00 H new ATOM 0 HG3 MET A 209 -11.186 -5.013 -2.137 1.00 0.00 H new ATOM 0 HE1 MET A 209 -11.329 -8.675 -1.764 1.00 0.00 H new ATOM 0 HE2 MET A 209 -12.158 -7.110 -1.938 1.00 0.00 H new ATOM 0 HE3 MET A 209 -11.049 -7.676 -3.210 1.00 0.00 H new ATOM 670 N GLU A 210 -8.112 -2.059 -3.663 1.00 0.00 N ATOM 671 CA GLU A 210 -7.028 -1.490 -4.465 1.00 0.00 C ATOM 672 C GLU A 210 -6.747 -0.040 -4.099 1.00 0.00 C ATOM 673 O GLU A 210 -5.612 0.412 -4.194 1.00 0.00 O ATOM 674 CB GLU A 210 -7.362 -1.573 -5.954 1.00 0.00 C ATOM 675 CG GLU A 210 -7.560 -2.987 -6.466 1.00 0.00 C ATOM 676 CD GLU A 210 -7.877 -3.018 -7.944 1.00 0.00 C ATOM 677 OE1 GLU A 210 -9.010 -2.659 -8.320 1.00 0.00 O ATOM 678 OE2 GLU A 210 -6.990 -3.397 -8.739 1.00 0.00 O ATOM 0 H GLU A 210 -8.861 -2.472 -4.219 1.00 0.00 H new ATOM 0 HA GLU A 210 -6.135 -2.078 -4.251 1.00 0.00 H new ATOM 0 HB2 GLU A 210 -8.269 -0.999 -6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 210 -6.560 -1.101 -6.522 1.00 0.00 H new ATOM 0 HG2 GLU A 210 -6.659 -3.570 -6.277 1.00 0.00 H new ATOM 0 HG3 GLU A 210 -8.369 -3.463 -5.912 1.00 0.00 H new ATOM 685 N ARG A 211 -7.775 0.690 -3.684 1.00 0.00 N ATOM 686 CA ARG A 211 -7.591 2.090 -3.316 1.00 0.00 C ATOM 687 C ARG A 211 -6.753 2.171 -2.050 1.00 0.00 C ATOM 688 O ARG A 211 -5.776 2.917 -1.960 1.00 0.00 O ATOM 689 CB ARG A 211 -8.929 2.803 -3.073 1.00 0.00 C ATOM 690 CG ARG A 211 -10.089 2.365 -3.964 1.00 0.00 C ATOM 691 CD ARG A 211 -9.723 2.239 -5.451 1.00 0.00 C ATOM 692 NE ARG A 211 -8.715 3.206 -5.888 1.00 0.00 N ATOM 693 CZ ARG A 211 -8.763 3.872 -7.039 1.00 0.00 C ATOM 694 NH1 ARG A 211 -9.816 3.764 -7.839 1.00 0.00 N ATOM 695 NH2 ARG A 211 -7.760 4.666 -7.375 1.00 0.00 N ATOM 0 H ARG A 211 -8.730 0.344 -3.594 1.00 0.00 H new ATOM 0 HA ARG A 211 -7.089 2.587 -4.146 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -9.217 2.649 -2.033 1.00 0.00 H new ATOM 0 HB3 ARG A 211 -8.778 3.874 -3.207 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -10.463 1.404 -3.610 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -10.904 3.082 -3.861 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -9.355 1.231 -5.642 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -10.624 2.369 -6.051 1.00 0.00 H new ATOM 0 HE ARG A 211 -7.923 3.381 -5.269 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -10.599 3.166 -7.574 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -9.843 4.279 -8.719 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -6.957 4.764 -6.754 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -7.789 5.180 -8.256 1.00 0.00 H new ATOM 709 N VAL A 212 -7.148 1.381 -1.075 1.00 0.00 N ATOM 710 CA VAL A 212 -6.416 1.271 0.174 1.00 0.00 C ATOM 711 C VAL A 212 -5.031 0.698 -0.082 1.00 0.00 C ATOM 712 O VAL A 212 -4.071 1.043 0.592 1.00 0.00 O ATOM 713 CB VAL A 212 -7.171 0.367 1.166 1.00 0.00 C ATOM 714 CG1 VAL A 212 -6.565 0.456 2.561 1.00 0.00 C ATOM 715 CG2 VAL A 212 -8.644 0.738 1.180 1.00 0.00 C ATOM 0 H VAL A 212 -7.983 0.797 -1.123 1.00 0.00 H new ATOM 0 HA VAL A 212 -6.322 2.268 0.605 1.00 0.00 H new ATOM 0 HB VAL A 212 -7.076 -0.669 0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 212 -7.118 -0.193 3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 212 -5.523 0.140 2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 212 -6.620 1.485 2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 212 -9.174 0.096 1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 212 -8.754 1.779 1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 212 -9.062 0.606 0.182 1.00 0.00 H new ATOM 725 N VAL A 213 -4.955 -0.174 -1.074 1.00 0.00 N ATOM 726 CA VAL A 213 -3.716 -0.841 -1.454 1.00 0.00 C ATOM 727 C VAL A 213 -2.718 0.108 -2.117 1.00 0.00 C ATOM 728 O VAL A 213 -1.524 0.061 -1.809 1.00 0.00 O ATOM 729 CB VAL A 213 -4.002 -2.014 -2.405 1.00 0.00 C ATOM 730 CG1 VAL A 213 -2.721 -2.527 -3.014 1.00 0.00 C ATOM 731 CG2 VAL A 213 -4.716 -3.133 -1.671 1.00 0.00 C ATOM 0 H VAL A 213 -5.757 -0.442 -1.644 1.00 0.00 H new ATOM 0 HA VAL A 213 -3.269 -1.209 -0.530 1.00 0.00 H new ATOM 0 HB VAL A 213 -4.649 -1.654 -3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 213 -2.944 -3.357 -3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 213 -2.239 -1.727 -3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 213 -2.053 -2.868 -2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 213 -4.910 -3.955 -2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 213 -4.091 -3.487 -0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 213 -5.661 -2.762 -1.273 1.00 0.00 H new ATOM 741 N GLU A 214 -3.188 0.958 -3.027 1.00 0.00 N ATOM 742 CA GLU A 214 -2.303 1.915 -3.680 1.00 0.00 C ATOM 743 C GLU A 214 -1.678 2.807 -2.622 1.00 0.00 C ATOM 744 O GLU A 214 -0.495 3.132 -2.679 1.00 0.00 O ATOM 745 CB GLU A 214 -3.046 2.746 -4.744 1.00 0.00 C ATOM 746 CG GLU A 214 -4.062 3.729 -4.181 1.00 0.00 C ATOM 747 CD GLU A 214 -4.847 4.451 -5.253 1.00 0.00 C ATOM 748 OE1 GLU A 214 -4.266 5.323 -5.935 1.00 0.00 O ATOM 749 OE2 GLU A 214 -6.049 4.170 -5.407 1.00 0.00 O ATOM 0 H GLU A 214 -4.163 1.003 -3.325 1.00 0.00 H new ATOM 0 HA GLU A 214 -1.519 1.371 -4.206 1.00 0.00 H new ATOM 0 HB2 GLU A 214 -2.313 3.298 -5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 214 -3.556 2.066 -5.426 1.00 0.00 H new ATOM 0 HG2 GLU A 214 -4.754 3.194 -3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 214 -3.545 4.462 -3.562 1.00 0.00 H new ATOM 756 N GLN A 215 -2.478 3.161 -1.632 1.00 0.00 N ATOM 757 CA GLN A 215 -1.991 3.894 -0.484 1.00 0.00 C ATOM 758 C GLN A 215 -1.183 2.993 0.440 1.00 0.00 C ATOM 759 O GLN A 215 -0.331 3.472 1.157 1.00 0.00 O ATOM 760 CB GLN A 215 -3.149 4.554 0.258 1.00 0.00 C ATOM 761 CG GLN A 215 -3.762 5.705 -0.523 1.00 0.00 C ATOM 762 CD GLN A 215 -2.876 6.939 -0.549 1.00 0.00 C ATOM 763 OE1 GLN A 215 -3.001 7.818 0.301 1.00 0.00 O ATOM 764 NE2 GLN A 215 -1.964 7.012 -1.511 1.00 0.00 N ATOM 0 H GLN A 215 -3.475 2.949 -1.603 1.00 0.00 H new ATOM 0 HA GLN A 215 -1.324 4.680 -0.838 1.00 0.00 H new ATOM 0 HB2 GLN A 215 -3.917 3.808 0.462 1.00 0.00 H new ATOM 0 HB3 GLN A 215 -2.796 4.921 1.222 1.00 0.00 H new ATOM 0 HG2 GLN A 215 -3.956 5.381 -1.546 1.00 0.00 H new ATOM 0 HG3 GLN A 215 -4.725 5.964 -0.083 1.00 0.00 H new ATOM 0 HE21 GLN A 215 -1.888 6.264 -2.200 1.00 0.00 H new ATOM 0 HE22 GLN A 215 -1.339 7.816 -1.561 1.00 0.00 H new ATOM 773 N MET A 216 -1.459 1.695 0.424 1.00 0.00 N ATOM 774 CA MET A 216 -0.771 0.751 1.303 1.00 0.00 C ATOM 775 C MET A 216 0.721 0.690 0.982 1.00 0.00 C ATOM 776 O MET A 216 1.558 0.861 1.864 1.00 0.00 O ATOM 777 CB MET A 216 -1.416 -0.648 1.225 1.00 0.00 C ATOM 778 CG MET A 216 -0.799 -1.662 2.182 1.00 0.00 C ATOM 779 SD MET A 216 -1.911 -3.028 2.616 1.00 0.00 S ATOM 780 CE MET A 216 -2.101 -3.876 1.047 1.00 0.00 C ATOM 0 H MET A 216 -2.155 1.269 -0.188 1.00 0.00 H new ATOM 0 HA MET A 216 -0.876 1.109 2.327 1.00 0.00 H new ATOM 0 HB2 MET A 216 -2.481 -0.560 1.440 1.00 0.00 H new ATOM 0 HB3 MET A 216 -1.327 -1.023 0.205 1.00 0.00 H new ATOM 0 HG2 MET A 216 0.105 -2.071 1.730 1.00 0.00 H new ATOM 0 HG3 MET A 216 -0.495 -1.149 3.094 1.00 0.00 H new ATOM 0 HE1 MET A 216 -3.053 -4.406 1.033 1.00 0.00 H new ATOM 0 HE2 MET A 216 -2.078 -3.149 0.235 1.00 0.00 H new ATOM 0 HE3 MET A 216 -1.287 -4.589 0.918 1.00 0.00 H new ATOM 790 N CYS A 217 1.047 0.483 -0.283 1.00 0.00 N ATOM 791 CA CYS A 217 2.448 0.453 -0.714 1.00 0.00 C ATOM 792 C CYS A 217 3.059 1.845 -0.696 1.00 0.00 C ATOM 793 O CYS A 217 4.156 2.041 -0.183 1.00 0.00 O ATOM 794 CB CYS A 217 2.597 -0.153 -2.113 1.00 0.00 C ATOM 795 SG CYS A 217 2.717 -1.966 -2.123 1.00 0.00 S ATOM 0 H CYS A 217 0.370 0.333 -1.031 1.00 0.00 H new ATOM 0 HA CYS A 217 2.982 -0.179 -0.004 1.00 0.00 H new ATOM 0 HB2 CYS A 217 1.744 0.148 -2.721 1.00 0.00 H new ATOM 0 HB3 CYS A 217 3.487 0.263 -2.585 1.00 0.00 H new ATOM 800 N ILE A 218 2.340 2.809 -1.245 1.00 0.00 N ATOM 801 CA ILE A 218 2.809 4.180 -1.297 1.00 0.00 C ATOM 802 C ILE A 218 3.090 4.690 0.100 1.00 0.00 C ATOM 803 O ILE A 218 4.109 5.309 0.328 1.00 0.00 O ATOM 804 CB ILE A 218 1.810 5.094 -2.048 1.00 0.00 C ATOM 805 CG1 ILE A 218 1.890 4.795 -3.546 1.00 0.00 C ATOM 806 CG2 ILE A 218 2.081 6.566 -1.786 1.00 0.00 C ATOM 807 CD1 ILE A 218 0.963 5.631 -4.405 1.00 0.00 C ATOM 0 H ILE A 218 1.421 2.664 -1.664 1.00 0.00 H new ATOM 0 HA ILE A 218 3.741 4.202 -1.861 1.00 0.00 H new ATOM 0 HB ILE A 218 0.806 4.884 -1.679 1.00 0.00 H new ATOM 0 HG12 ILE A 218 2.915 4.953 -3.881 1.00 0.00 H new ATOM 0 HG13 ILE A 218 1.661 3.741 -3.706 1.00 0.00 H new ATOM 0 HG21 ILE A 218 1.358 7.172 -2.332 1.00 0.00 H new ATOM 0 HG22 ILE A 218 1.992 6.768 -0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 218 3.088 6.816 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 218 1.086 5.352 -5.451 1.00 0.00 H new ATOM 0 HD12 ILE A 218 -0.070 5.457 -4.102 1.00 0.00 H new ATOM 0 HD13 ILE A 218 1.204 6.687 -4.280 1.00 0.00 H new ATOM 819 N THR A 219 2.214 4.379 1.035 1.00 0.00 N ATOM 820 CA THR A 219 2.442 4.710 2.434 1.00 0.00 C ATOM 821 C THR A 219 3.717 4.057 2.967 1.00 0.00 C ATOM 822 O THR A 219 4.520 4.707 3.637 1.00 0.00 O ATOM 823 CB THR A 219 1.228 4.301 3.295 1.00 0.00 C ATOM 824 OG1 THR A 219 0.179 5.266 3.147 1.00 0.00 O ATOM 825 CG2 THR A 219 1.593 4.136 4.758 1.00 0.00 C ATOM 0 H THR A 219 1.334 3.896 0.854 1.00 0.00 H new ATOM 0 HA THR A 219 2.570 5.791 2.498 1.00 0.00 H new ATOM 0 HB THR A 219 0.883 3.330 2.940 1.00 0.00 H new ATOM 0 HG1 THR A 219 -0.397 5.010 2.397 1.00 0.00 H new ATOM 0 HG21 THR A 219 0.707 3.848 5.324 1.00 0.00 H new ATOM 0 HG22 THR A 219 2.355 3.363 4.858 1.00 0.00 H new ATOM 0 HG23 THR A 219 1.980 5.079 5.145 1.00 0.00 H new ATOM 833 N GLN A 220 3.909 2.783 2.654 1.00 0.00 N ATOM 834 CA GLN A 220 5.104 2.069 3.089 1.00 0.00 C ATOM 835 C GLN A 220 6.360 2.718 2.532 1.00 0.00 C ATOM 836 O GLN A 220 7.349 2.910 3.244 1.00 0.00 O ATOM 837 CB GLN A 220 5.053 0.602 2.666 1.00 0.00 C ATOM 838 CG GLN A 220 4.021 -0.212 3.426 1.00 0.00 C ATOM 839 CD GLN A 220 4.257 -0.196 4.926 1.00 0.00 C ATOM 840 OE1 GLN A 220 5.516 -0.082 5.329 1.00 0.00 O flip ATOM 841 NE2 GLN A 220 3.320 -0.286 5.716 1.00 0.00 N flip ATOM 0 H GLN A 220 3.257 2.224 2.103 1.00 0.00 H new ATOM 0 HA GLN A 220 5.134 2.119 4.177 1.00 0.00 H new ATOM 0 HB2 GLN A 220 4.834 0.547 1.600 1.00 0.00 H new ATOM 0 HB3 GLN A 220 6.036 0.155 2.813 1.00 0.00 H new ATOM 0 HG2 GLN A 220 3.026 0.180 3.214 1.00 0.00 H new ATOM 0 HG3 GLN A 220 4.041 -1.242 3.069 1.00 0.00 H new ATOM 0 HE21 GLN A 220 2.365 -0.372 5.367 1.00 0.00 H new ATOM 0 HE22 GLN A 220 3.497 -0.274 6.720 1.00 0.00 H new ATOM 850 N TYR A 221 6.324 3.073 1.261 1.00 0.00 N ATOM 851 CA TYR A 221 7.495 3.663 0.631 1.00 0.00 C ATOM 852 C TYR A 221 7.648 5.137 1.018 1.00 0.00 C ATOM 853 O TYR A 221 8.759 5.674 1.017 1.00 0.00 O ATOM 854 CB TYR A 221 7.457 3.433 -0.881 1.00 0.00 C ATOM 855 CG TYR A 221 7.705 1.977 -1.250 1.00 0.00 C ATOM 856 CD1 TYR A 221 6.732 1.007 -1.046 1.00 0.00 C ATOM 857 CD2 TYR A 221 8.917 1.569 -1.781 1.00 0.00 C ATOM 858 CE1 TYR A 221 6.963 -0.320 -1.359 1.00 0.00 C ATOM 859 CE2 TYR A 221 9.157 0.245 -2.102 1.00 0.00 C ATOM 860 CZ TYR A 221 8.177 -0.695 -1.887 1.00 0.00 C ATOM 861 OH TYR A 221 8.415 -2.017 -2.193 1.00 0.00 O ATOM 0 H TYR A 221 5.513 2.967 0.652 1.00 0.00 H new ATOM 0 HA TYR A 221 8.390 3.164 1.002 1.00 0.00 H new ATOM 0 HB2 TYR A 221 6.487 3.744 -1.269 1.00 0.00 H new ATOM 0 HB3 TYR A 221 8.208 4.060 -1.361 1.00 0.00 H new ATOM 0 HD1 TYR A 221 5.776 1.295 -0.635 1.00 0.00 H new ATOM 0 HD2 TYR A 221 9.693 2.301 -1.948 1.00 0.00 H new ATOM 0 HE1 TYR A 221 6.194 -1.059 -1.190 1.00 0.00 H new ATOM 0 HE2 TYR A 221 10.109 -0.049 -2.519 1.00 0.00 H new ATOM 0 HH TYR A 221 9.320 -2.111 -2.558 1.00 0.00 H new ATOM 871 N GLN A 222 6.539 5.786 1.364 1.00 0.00 N ATOM 872 CA GLN A 222 6.586 7.108 1.973 1.00 0.00 C ATOM 873 C GLN A 222 7.200 7.035 3.360 1.00 0.00 C ATOM 874 O GLN A 222 7.806 7.990 3.831 1.00 0.00 O ATOM 875 CB GLN A 222 5.198 7.721 2.055 1.00 0.00 C ATOM 876 CG GLN A 222 4.639 8.096 0.702 1.00 0.00 C ATOM 877 CD GLN A 222 5.303 9.308 0.082 1.00 0.00 C ATOM 878 OE1 GLN A 222 6.476 9.597 0.329 1.00 0.00 O ATOM 879 NE2 GLN A 222 4.558 10.018 -0.750 1.00 0.00 N ATOM 0 H GLN A 222 5.598 5.416 1.232 1.00 0.00 H new ATOM 0 HA GLN A 222 7.208 7.743 1.342 1.00 0.00 H new ATOM 0 HB2 GLN A 222 4.523 7.015 2.538 1.00 0.00 H new ATOM 0 HB3 GLN A 222 5.235 8.609 2.686 1.00 0.00 H new ATOM 0 HG2 GLN A 222 4.748 7.248 0.026 1.00 0.00 H new ATOM 0 HG3 GLN A 222 3.571 8.289 0.801 1.00 0.00 H new ATOM 0 HE21 GLN A 222 3.591 9.746 -0.928 1.00 0.00 H new ATOM 0 HE22 GLN A 222 4.951 10.837 -1.213 1.00 0.00 H new ATOM 888 N ARG A 223 7.037 5.894 4.022 1.00 0.00 N ATOM 889 CA ARG A 223 7.679 5.682 5.306 1.00 0.00 C ATOM 890 C ARG A 223 9.183 5.621 5.119 1.00 0.00 C ATOM 891 O ARG A 223 9.931 6.059 5.985 1.00 0.00 O ATOM 892 CB ARG A 223 7.168 4.412 6.002 1.00 0.00 C ATOM 893 CG ARG A 223 7.840 4.148 7.349 1.00 0.00 C ATOM 894 CD ARG A 223 9.061 3.246 7.216 1.00 0.00 C ATOM 895 NE ARG A 223 8.704 1.898 6.781 1.00 0.00 N ATOM 896 CZ ARG A 223 9.425 1.177 5.924 1.00 0.00 C ATOM 897 NH1 ARG A 223 10.530 1.686 5.384 1.00 0.00 N ATOM 898 NH2 ARG A 223 9.047 -0.056 5.611 1.00 0.00 N ATOM 0 H ARG A 223 6.471 5.112 3.692 1.00 0.00 H new ATOM 0 HA ARG A 223 7.427 6.522 5.953 1.00 0.00 H new ATOM 0 HB2 ARG A 223 6.092 4.496 6.151 1.00 0.00 H new ATOM 0 HB3 ARG A 223 7.333 3.556 5.348 1.00 0.00 H new ATOM 0 HG2 ARG A 223 8.138 5.096 7.797 1.00 0.00 H new ATOM 0 HG3 ARG A 223 7.122 3.687 8.027 1.00 0.00 H new ATOM 0 HD2 ARG A 223 9.759 3.684 6.502 1.00 0.00 H new ATOM 0 HD3 ARG A 223 9.578 3.192 8.174 1.00 0.00 H new ATOM 0 HE ARG A 223 7.851 1.484 7.156 1.00 0.00 H new ATOM 0 HH11 ARG A 223 10.827 2.631 5.626 1.00 0.00 H new ATOM 0 HH12 ARG A 223 11.080 1.131 4.728 1.00 0.00 H new ATOM 0 HH21 ARG A 223 8.204 -0.452 6.027 1.00 0.00 H new ATOM 0 HH22 ARG A 223 9.600 -0.608 4.955 1.00 0.00 H new ATOM 912 N GLU A 224 9.632 5.074 3.992 1.00 0.00 N ATOM 913 CA GLU A 224 11.059 5.075 3.702 1.00 0.00 C ATOM 914 C GLU A 224 11.545 6.500 3.486 1.00 0.00 C ATOM 915 O GLU A 224 12.559 6.919 4.044 1.00 0.00 O ATOM 916 CB GLU A 224 11.424 4.261 2.462 1.00 0.00 C ATOM 917 CG GLU A 224 12.920 4.041 2.398 1.00 0.00 C ATOM 918 CD GLU A 224 13.400 3.039 3.425 1.00 0.00 C ATOM 919 OE1 GLU A 224 13.703 3.443 4.562 1.00 0.00 O ATOM 920 OE2 GLU A 224 13.477 1.840 3.097 1.00 0.00 O ATOM 0 H GLU A 224 9.045 4.636 3.283 1.00 0.00 H new ATOM 0 HA GLU A 224 11.541 4.614 4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 224 10.909 3.300 2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 224 11.088 4.781 1.565 1.00 0.00 H new ATOM 0 HG2 GLU A 224 13.191 3.694 1.401 1.00 0.00 H new ATOM 0 HG3 GLU A 224 13.431 4.991 2.554 1.00 0.00 H new ATOM 927 N SER A 225 10.820 7.244 2.670 1.00 0.00 N ATOM 928 CA SER A 225 11.208 8.606 2.369 1.00 0.00 C ATOM 929 C SER A 225 11.117 9.460 3.627 1.00 0.00 C ATOM 930 O SER A 225 11.820 10.449 3.760 1.00 0.00 O ATOM 931 CB SER A 225 10.339 9.182 1.251 1.00 0.00 C ATOM 932 OG SER A 225 8.985 9.266 1.645 1.00 0.00 O ATOM 0 H SER A 225 9.967 6.930 2.208 1.00 0.00 H new ATOM 0 HA SER A 225 12.241 8.610 2.020 1.00 0.00 H new ATOM 0 HB2 SER A 225 10.703 10.173 0.978 1.00 0.00 H new ATOM 0 HB3 SER A 225 10.423 8.556 0.363 1.00 0.00 H new ATOM 0 HG SER A 225 8.427 9.448 0.860 1.00 0.00 H new ATOM 938 N GLN A 226 10.247 9.072 4.546 1.00 0.00 N ATOM 939 CA GLN A 226 10.201 9.680 5.864 1.00 0.00 C ATOM 940 C GLN A 226 11.428 9.309 6.642 1.00 0.00 C ATOM 941 O GLN A 226 12.046 10.147 7.292 1.00 0.00 O ATOM 942 CB GLN A 226 8.989 9.182 6.646 1.00 0.00 C ATOM 943 CG GLN A 226 8.888 9.748 8.055 1.00 0.00 C ATOM 944 CD GLN A 226 9.290 8.761 9.135 1.00 0.00 C ATOM 945 OE1 GLN A 226 10.559 8.767 9.498 1.00 0.00 O flip ATOM 946 NE2 GLN A 226 8.464 8.007 9.641 1.00 0.00 N flip ATOM 0 H GLN A 226 9.559 8.333 4.400 1.00 0.00 H new ATOM 0 HA GLN A 226 10.140 10.760 5.729 1.00 0.00 H new ATOM 0 HB2 GLN A 226 8.084 9.439 6.096 1.00 0.00 H new ATOM 0 HB3 GLN A 226 9.029 8.094 6.704 1.00 0.00 H new ATOM 0 HG2 GLN A 226 9.521 10.632 8.129 1.00 0.00 H new ATOM 0 HG3 GLN A 226 7.863 10.073 8.235 1.00 0.00 H new ATOM 0 HE21 GLN A 226 7.492 8.034 9.332 1.00 0.00 H new ATOM 0 HE22 GLN A 226 8.749 7.354 10.370 1.00 0.00 H new ATOM 955 N ALA A 227 11.741 8.035 6.585 1.00 0.00 N ATOM 956 CA ALA A 227 12.800 7.464 7.373 1.00 0.00 C ATOM 957 C ALA A 227 14.097 8.254 7.213 1.00 0.00 C ATOM 958 O ALA A 227 14.731 8.609 8.203 1.00 0.00 O ATOM 959 CB ALA A 227 12.972 6.001 7.001 1.00 0.00 C ATOM 0 H ALA A 227 11.262 7.364 5.985 1.00 0.00 H new ATOM 0 HA ALA A 227 12.534 7.521 8.428 1.00 0.00 H new ATOM 0 HB1 ALA A 227 13.774 5.566 7.597 1.00 0.00 H new ATOM 0 HB2 ALA A 227 12.043 5.464 7.196 1.00 0.00 H new ATOM 0 HB3 ALA A 227 13.222 5.922 5.943 1.00 0.00 H new ATOM 965 N TYR A 228 14.496 8.530 5.976 1.00 0.00 N ATOM 966 CA TYR A 228 15.666 9.366 5.747 1.00 0.00 C ATOM 967 C TYR A 228 15.296 10.849 5.604 1.00 0.00 C ATOM 968 O TYR A 228 16.178 11.708 5.567 1.00 0.00 O ATOM 969 CB TYR A 228 16.439 8.893 4.520 1.00 0.00 C ATOM 970 CG TYR A 228 17.849 9.434 4.435 1.00 0.00 C ATOM 971 CD1 TYR A 228 18.797 9.101 5.396 1.00 0.00 C ATOM 972 CD2 TYR A 228 18.233 10.274 3.399 1.00 0.00 C ATOM 973 CE1 TYR A 228 20.087 9.591 5.324 1.00 0.00 C ATOM 974 CE2 TYR A 228 19.520 10.765 3.319 1.00 0.00 C ATOM 975 CZ TYR A 228 20.443 10.423 4.282 1.00 0.00 C ATOM 976 OH TYR A 228 21.727 10.912 4.202 1.00 0.00 O ATOM 0 H TYR A 228 14.035 8.193 5.131 1.00 0.00 H new ATOM 0 HA TYR A 228 16.304 9.269 6.625 1.00 0.00 H new ATOM 0 HB2 TYR A 228 16.478 7.804 4.526 1.00 0.00 H new ATOM 0 HB3 TYR A 228 15.893 9.187 3.624 1.00 0.00 H new ATOM 0 HD1 TYR A 228 18.521 8.449 6.212 1.00 0.00 H new ATOM 0 HD2 TYR A 228 17.512 10.548 2.643 1.00 0.00 H new ATOM 0 HE1 TYR A 228 20.812 9.325 6.079 1.00 0.00 H new ATOM 0 HE2 TYR A 228 19.802 11.415 2.504 1.00 0.00 H new ATOM 0 HH TYR A 228 21.812 11.481 3.409 1.00 0.00 H new ATOM 986 N TYR A 229 13.990 11.138 5.524 1.00 0.00 N ATOM 987 CA TYR A 229 13.489 12.496 5.286 1.00 0.00 C ATOM 988 C TYR A 229 13.849 12.970 3.881 1.00 0.00 C ATOM 989 O TYR A 229 14.254 14.113 3.668 1.00 0.00 O ATOM 990 CB TYR A 229 13.985 13.484 6.346 1.00 0.00 C ATOM 991 CG TYR A 229 13.229 13.384 7.651 1.00 0.00 C ATOM 992 CD1 TYR A 229 11.907 13.803 7.733 1.00 0.00 C ATOM 993 CD2 TYR A 229 13.831 12.879 8.797 1.00 0.00 C ATOM 994 CE1 TYR A 229 11.205 13.722 8.919 1.00 0.00 C ATOM 995 CE2 TYR A 229 13.134 12.793 9.988 1.00 0.00 C ATOM 996 CZ TYR A 229 11.822 13.216 10.042 1.00 0.00 C ATOM 997 OH TYR A 229 11.126 13.143 11.229 1.00 0.00 O ATOM 0 H TYR A 229 13.254 10.438 5.622 1.00 0.00 H new ATOM 0 HA TYR A 229 12.403 12.460 5.366 1.00 0.00 H new ATOM 0 HB2 TYR A 229 15.044 13.306 6.532 1.00 0.00 H new ATOM 0 HB3 TYR A 229 13.896 14.499 5.958 1.00 0.00 H new ATOM 0 HD1 TYR A 229 11.420 14.199 6.854 1.00 0.00 H new ATOM 0 HD2 TYR A 229 14.858 12.549 8.757 1.00 0.00 H new ATOM 0 HE1 TYR A 229 10.178 14.053 8.966 1.00 0.00 H new ATOM 0 HE2 TYR A 229 13.614 12.397 10.871 1.00 0.00 H new ATOM 0 HH TYR A 229 11.703 12.762 11.924 1.00 0.00 H new