USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=19 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 174 ASN : amide:sc= -0.472 K(o=-0.63,f=-1.4) USER MOD Set 1.2: A 177 ASN : amide:sc= -0.158 X(o=-0.63,f=-0.32) USER MOD Set 2.1: A 172 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 175 GLN : amide:sc=-0.00281 K(o=-0.0028,f=-0.98) USER MOD Single : A 171 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.42) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 176 ASN : amide:sc= -0.0629 X(o=-0.063,f=-0.1) USER MOD Single : A 180 HIS : no HD1:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 184 ASN : amide:sc= 1.2 K(o=1.2,f=-0.19) USER MOD Single : A 186 THR OG1 : rot -96:sc= -0.738! USER MOD Single : A 188 LYS NZ :NH3+ -132:sc= -0.224 (180deg=-1.09) USER MOD Single : A 189 GLN : amide:sc= -2.23! K(o=-2.2!,f=-0.24) USER MOD Single : A 190 HIS : no HD1:sc= -0.146 K(o=-0.15,f=-3.9!) USER MOD Single : A 191 THR OG1 : rot 1:sc= 0.934 USER MOD Single : A 193 THR OG1 : rot 76:sc= 0.169 USER MOD Single : A 194 THR OG1 : rot 152:sc= 1.17 USER MOD Single : A 195 THR OG1 : rot 57:sc= 1.27 USER MOD Single : A 196 THR OG1 : rot -77:sc= 0.525 USER MOD Single : A 197 LYS NZ :NH3+ 154:sc= 0.331 (180deg=-0.221) USER MOD Single : A 200 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 202 THR OG1 : rot 16:sc= 0.291 USER MOD Single : A 204 THR OG1 : rot 180:sc= 0 USER MOD Single : A 207 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 209 MET CE :methyl -147:sc= -9.87! (180deg=-13.8!) USER MOD Single : A 215 GLN : amide:sc= -0.338 X(o=-0.34,f=-0.096) USER MOD Single : A 216 MET CE :methyl -153:sc= -3.26! (180deg=-5.63!) USER MOD Single : A 219 THR OG1 : rot 92:sc= 0.169 USER MOD Single : A 220 GLN : amide:sc= -7.05! C(o=-7.1!,f=-2!) USER MOD Single : A 221 TYR OH : rot 180:sc= 0 USER MOD Single : A 222 GLN : amide:sc= -0.0379 X(o=-0.038,f=0) USER MOD Single : A 225 SER OG : rot -5:sc= 1.05 USER MOD Single : A 226 GLN : amide:sc= -3.25! K(o=-3.2!,f=-0.24) 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 16.535 4.475 1.608 1.00 0.00 N ATOM 40 CA VAL A 169 15.121 4.806 1.495 1.00 0.00 C ATOM 41 C VAL A 169 14.704 4.783 0.042 1.00 0.00 C ATOM 42 O VAL A 169 13.702 5.397 -0.345 1.00 0.00 O ATOM 43 CB VAL A 169 14.742 6.183 2.063 1.00 0.00 C ATOM 44 CG1 VAL A 169 15.042 6.288 3.547 1.00 0.00 C ATOM 45 CG2 VAL A 169 15.435 7.291 1.284 1.00 0.00 C ATOM 0 HA VAL A 169 14.604 4.052 2.088 1.00 0.00 H new ATOM 0 HB VAL A 169 13.665 6.301 1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 169 14.759 7.277 3.906 1.00 0.00 H new ATOM 0 HG12 VAL A 169 14.475 5.530 4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 169 16.108 6.133 3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 169 15.155 8.259 1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 169 16.515 7.165 1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 169 15.132 7.245 0.238 1.00 0.00 H new ATOM 55 N ASP A 170 15.463 4.055 -0.765 1.00 0.00 N ATOM 56 CA ASP A 170 15.171 3.944 -2.187 1.00 0.00 C ATOM 57 C ASP A 170 13.840 3.234 -2.392 1.00 0.00 C ATOM 58 O ASP A 170 13.348 3.109 -3.507 1.00 0.00 O ATOM 59 CB ASP A 170 16.295 3.211 -2.921 1.00 0.00 C ATOM 60 CG ASP A 170 16.577 1.840 -2.348 1.00 0.00 C ATOM 61 OD1 ASP A 170 17.355 1.755 -1.371 1.00 0.00 O ATOM 62 OD2 ASP A 170 16.029 0.850 -2.872 1.00 0.00 O ATOM 0 H ASP A 170 16.285 3.533 -0.460 1.00 0.00 H new ATOM 0 HA ASP A 170 15.100 4.948 -2.605 1.00 0.00 H new ATOM 0 HB2 ASP A 170 16.030 3.112 -3.974 1.00 0.00 H new ATOM 0 HB3 ASP A 170 17.203 3.812 -2.876 1.00 0.00 H new ATOM 67 N GLN A 171 13.267 2.787 -1.285 1.00 0.00 N ATOM 68 CA GLN A 171 11.911 2.278 -1.248 1.00 0.00 C ATOM 69 C GLN A 171 10.947 3.295 -1.841 1.00 0.00 C ATOM 70 O GLN A 171 10.082 2.945 -2.632 1.00 0.00 O ATOM 71 CB GLN A 171 11.519 1.986 0.203 1.00 0.00 C ATOM 72 CG GLN A 171 11.961 0.622 0.716 1.00 0.00 C ATOM 73 CD GLN A 171 13.371 0.251 0.299 1.00 0.00 C ATOM 74 OE1 GLN A 171 14.340 0.601 0.967 1.00 0.00 O ATOM 75 NE2 GLN A 171 13.491 -0.480 -0.801 1.00 0.00 N ATOM 0 H GLN A 171 13.738 2.769 -0.380 1.00 0.00 H new ATOM 0 HA GLN A 171 11.860 1.362 -1.836 1.00 0.00 H new ATOM 0 HB2 GLN A 171 11.947 2.757 0.844 1.00 0.00 H new ATOM 0 HB3 GLN A 171 10.435 2.061 0.295 1.00 0.00 H new ATOM 0 HG2 GLN A 171 11.897 0.613 1.804 1.00 0.00 H new ATOM 0 HG3 GLN A 171 11.270 -0.137 0.350 1.00 0.00 H new ATOM 0 HE21 GLN A 171 12.660 -0.750 -1.327 1.00 0.00 H new ATOM 0 HE22 GLN A 171 14.414 -0.773 -1.121 1.00 0.00 H new ATOM 84 N TYR A 172 11.119 4.557 -1.474 1.00 0.00 N ATOM 85 CA TYR A 172 10.230 5.607 -1.945 1.00 0.00 C ATOM 86 C TYR A 172 10.811 6.293 -3.174 1.00 0.00 C ATOM 87 O TYR A 172 10.076 6.803 -4.020 1.00 0.00 O ATOM 88 CB TYR A 172 9.984 6.633 -0.842 1.00 0.00 C ATOM 89 CG TYR A 172 8.836 7.573 -1.132 1.00 0.00 C ATOM 90 CD1 TYR A 172 7.550 7.083 -1.315 1.00 0.00 C ATOM 91 CD2 TYR A 172 9.033 8.945 -1.217 1.00 0.00 C ATOM 92 CE1 TYR A 172 6.493 7.930 -1.573 1.00 0.00 C ATOM 93 CE2 TYR A 172 7.979 9.802 -1.471 1.00 0.00 C ATOM 94 CZ TYR A 172 6.710 9.288 -1.649 1.00 0.00 C ATOM 95 OH TYR A 172 5.656 10.139 -1.903 1.00 0.00 O ATOM 0 H TYR A 172 11.863 4.877 -0.854 1.00 0.00 H new ATOM 0 HA TYR A 172 9.279 5.149 -2.219 1.00 0.00 H new ATOM 0 HB2 TYR A 172 9.785 6.108 0.092 1.00 0.00 H new ATOM 0 HB3 TYR A 172 10.892 7.217 -0.692 1.00 0.00 H new ATOM 0 HD1 TYR A 172 7.374 6.019 -1.254 1.00 0.00 H new ATOM 0 HD2 TYR A 172 10.026 9.349 -1.082 1.00 0.00 H new ATOM 0 HE1 TYR A 172 5.500 7.530 -1.715 1.00 0.00 H new ATOM 0 HE2 TYR A 172 8.147 10.867 -1.530 1.00 0.00 H new ATOM 0 HH TYR A 172 5.980 11.064 -1.923 1.00 0.00 H new ATOM 105 N SER A 173 12.133 6.315 -3.269 1.00 0.00 N ATOM 106 CA SER A 173 12.809 6.898 -4.423 1.00 0.00 C ATOM 107 C SER A 173 12.563 6.067 -5.691 1.00 0.00 C ATOM 108 O SER A 173 12.785 6.534 -6.807 1.00 0.00 O ATOM 109 CB SER A 173 14.303 7.001 -4.133 1.00 0.00 C ATOM 110 OG SER A 173 14.525 7.638 -2.883 1.00 0.00 O ATOM 0 H SER A 173 12.761 5.936 -2.560 1.00 0.00 H new ATOM 0 HA SER A 173 12.403 7.894 -4.600 1.00 0.00 H new ATOM 0 HB2 SER A 173 14.747 6.006 -4.124 1.00 0.00 H new ATOM 0 HB3 SER A 173 14.795 7.563 -4.927 1.00 0.00 H new ATOM 0 HG SER A 173 15.488 7.695 -2.711 1.00 0.00 H new ATOM 116 N ASN A 174 12.094 4.840 -5.503 1.00 0.00 N ATOM 117 CA ASN A 174 11.808 3.931 -6.611 1.00 0.00 C ATOM 118 C ASN A 174 10.296 3.861 -6.846 1.00 0.00 C ATOM 119 O ASN A 174 9.766 2.887 -7.382 1.00 0.00 O ATOM 120 CB ASN A 174 12.360 2.539 -6.282 1.00 0.00 C ATOM 121 CG ASN A 174 12.386 1.594 -7.467 1.00 0.00 C ATOM 122 OD1 ASN A 174 12.576 2.010 -8.609 1.00 0.00 O ATOM 123 ND2 ASN A 174 12.203 0.308 -7.200 1.00 0.00 N ATOM 0 H ASN A 174 11.901 4.446 -4.582 1.00 0.00 H new ATOM 0 HA ASN A 174 12.286 4.299 -7.519 1.00 0.00 H new ATOM 0 HB2 ASN A 174 13.372 2.643 -5.890 1.00 0.00 H new ATOM 0 HB3 ASN A 174 11.756 2.097 -5.490 1.00 0.00 H new ATOM 0 HD21 ASN A 174 12.217 -0.377 -7.956 1.00 0.00 H new ATOM 0 HD22 ASN A 174 12.048 0.004 -6.239 1.00 0.00 H new ATOM 130 N GLN A 175 9.631 4.944 -6.426 1.00 0.00 N ATOM 131 CA GLN A 175 8.176 4.999 -6.242 1.00 0.00 C ATOM 132 C GLN A 175 7.378 4.360 -7.367 1.00 0.00 C ATOM 133 O GLN A 175 6.631 3.417 -7.124 1.00 0.00 O ATOM 134 CB GLN A 175 7.712 6.445 -6.046 1.00 0.00 C ATOM 135 CG GLN A 175 6.245 6.551 -5.655 1.00 0.00 C ATOM 136 CD GLN A 175 5.827 7.962 -5.293 1.00 0.00 C ATOM 137 OE1 GLN A 175 6.636 8.764 -4.826 1.00 0.00 O ATOM 138 NE2 GLN A 175 4.559 8.272 -5.501 1.00 0.00 N ATOM 0 H GLN A 175 10.098 5.822 -6.200 1.00 0.00 H new ATOM 0 HA GLN A 175 7.978 4.409 -5.347 1.00 0.00 H new ATOM 0 HB2 GLN A 175 8.323 6.915 -5.275 1.00 0.00 H new ATOM 0 HB3 GLN A 175 7.878 7.002 -6.968 1.00 0.00 H new ATOM 0 HG2 GLN A 175 5.628 6.196 -6.481 1.00 0.00 H new ATOM 0 HG3 GLN A 175 6.052 5.893 -4.808 1.00 0.00 H new ATOM 0 HE21 GLN A 175 3.921 7.577 -5.890 1.00 0.00 H new ATOM 0 HE22 GLN A 175 4.218 9.206 -5.273 1.00 0.00 H new ATOM 147 N ASN A 176 7.534 4.867 -8.585 1.00 0.00 N ATOM 148 CA ASN A 176 6.699 4.432 -9.705 1.00 0.00 C ATOM 149 C ASN A 176 6.821 2.929 -9.951 1.00 0.00 C ATOM 150 O ASN A 176 5.853 2.273 -10.333 1.00 0.00 O ATOM 151 CB ASN A 176 7.042 5.209 -10.984 1.00 0.00 C ATOM 152 CG ASN A 176 8.399 4.851 -11.564 1.00 0.00 C ATOM 153 OD1 ASN A 176 8.513 3.958 -12.404 1.00 0.00 O ATOM 154 ND2 ASN A 176 9.435 5.549 -11.125 1.00 0.00 N ATOM 0 H ASN A 176 8.227 5.576 -8.824 1.00 0.00 H new ATOM 0 HA ASN A 176 5.665 4.645 -9.435 1.00 0.00 H new ATOM 0 HB2 ASN A 176 6.274 5.018 -11.733 1.00 0.00 H new ATOM 0 HB3 ASN A 176 7.018 6.277 -10.768 1.00 0.00 H new ATOM 0 HD21 ASN A 176 10.370 5.355 -11.484 1.00 0.00 H new ATOM 0 HD22 ASN A 176 9.298 6.281 -10.428 1.00 0.00 H new ATOM 161 N ASN A 177 8.000 2.378 -9.696 1.00 0.00 N ATOM 162 CA ASN A 177 8.236 0.961 -9.933 1.00 0.00 C ATOM 163 C ASN A 177 7.514 0.115 -8.903 1.00 0.00 C ATOM 164 O ASN A 177 7.046 -0.980 -9.211 1.00 0.00 O ATOM 165 CB ASN A 177 9.733 0.640 -9.928 1.00 0.00 C ATOM 166 CG ASN A 177 10.462 1.261 -11.101 1.00 0.00 C ATOM 167 OD1 ASN A 177 10.566 0.663 -12.171 1.00 0.00 O ATOM 168 ND2 ASN A 177 10.986 2.457 -10.903 1.00 0.00 N ATOM 0 H ASN A 177 8.803 2.887 -9.327 1.00 0.00 H new ATOM 0 HA ASN A 177 7.840 0.721 -10.920 1.00 0.00 H new ATOM 0 HB2 ASN A 177 10.175 0.998 -8.998 1.00 0.00 H new ATOM 0 HB3 ASN A 177 9.870 -0.441 -9.950 1.00 0.00 H new ATOM 0 HD21 ASN A 177 11.500 2.919 -11.653 1.00 0.00 H new ATOM 0 HD22 ASN A 177 10.877 2.919 -10.000 1.00 0.00 H new ATOM 175 N PHE A 178 7.390 0.620 -7.682 1.00 0.00 N ATOM 176 CA PHE A 178 6.688 -0.133 -6.666 1.00 0.00 C ATOM 177 C PHE A 178 5.190 0.094 -6.786 1.00 0.00 C ATOM 178 O PHE A 178 4.400 -0.685 -6.274 1.00 0.00 O ATOM 179 CB PHE A 178 7.201 0.162 -5.243 1.00 0.00 C ATOM 180 CG PHE A 178 6.734 1.443 -4.591 1.00 0.00 C ATOM 181 CD1 PHE A 178 5.391 1.666 -4.309 1.00 0.00 C ATOM 182 CD2 PHE A 178 7.652 2.396 -4.202 1.00 0.00 C ATOM 183 CE1 PHE A 178 4.983 2.818 -3.668 1.00 0.00 C ATOM 184 CE2 PHE A 178 7.247 3.544 -3.549 1.00 0.00 C ATOM 185 CZ PHE A 178 5.917 3.758 -3.285 1.00 0.00 C ATOM 0 H PHE A 178 7.757 1.523 -7.382 1.00 0.00 H new ATOM 0 HA PHE A 178 6.893 -1.189 -6.840 1.00 0.00 H new ATOM 0 HB2 PHE A 178 6.911 -0.669 -4.600 1.00 0.00 H new ATOM 0 HB3 PHE A 178 8.290 0.176 -5.273 1.00 0.00 H new ATOM 0 HD1 PHE A 178 4.657 0.927 -4.596 1.00 0.00 H new ATOM 0 HD2 PHE A 178 8.701 2.243 -4.411 1.00 0.00 H new ATOM 0 HE1 PHE A 178 3.935 2.983 -3.467 1.00 0.00 H new ATOM 0 HE2 PHE A 178 7.980 4.276 -3.245 1.00 0.00 H new ATOM 0 HZ PHE A 178 5.603 4.659 -2.779 1.00 0.00 H new ATOM 195 N VAL A 179 4.787 1.164 -7.452 1.00 0.00 N ATOM 196 CA VAL A 179 3.375 1.345 -7.732 1.00 0.00 C ATOM 197 C VAL A 179 2.912 0.182 -8.594 1.00 0.00 C ATOM 198 O VAL A 179 1.946 -0.498 -8.274 1.00 0.00 O ATOM 199 CB VAL A 179 3.065 2.684 -8.441 1.00 0.00 C ATOM 200 CG1 VAL A 179 1.561 2.917 -8.518 1.00 0.00 C ATOM 201 CG2 VAL A 179 3.735 3.843 -7.726 1.00 0.00 C ATOM 0 H VAL A 179 5.400 1.901 -7.800 1.00 0.00 H new ATOM 0 HA VAL A 179 2.841 1.373 -6.782 1.00 0.00 H new ATOM 0 HB VAL A 179 3.463 2.626 -9.454 1.00 0.00 H new ATOM 0 HG11 VAL A 179 1.365 3.864 -9.020 1.00 0.00 H new ATOM 0 HG12 VAL A 179 1.095 2.106 -9.078 1.00 0.00 H new ATOM 0 HG13 VAL A 179 1.146 2.948 -7.511 1.00 0.00 H new ATOM 0 HG21 VAL A 179 3.502 4.774 -8.244 1.00 0.00 H new ATOM 0 HG22 VAL A 179 3.371 3.897 -6.700 1.00 0.00 H new ATOM 0 HG23 VAL A 179 4.814 3.692 -7.720 1.00 0.00 H new ATOM 211 N HIS A 180 3.657 -0.094 -9.648 1.00 0.00 N ATOM 212 CA HIS A 180 3.323 -1.205 -10.520 1.00 0.00 C ATOM 213 C HIS A 180 3.518 -2.544 -9.805 1.00 0.00 C ATOM 214 O HIS A 180 2.564 -3.297 -9.615 1.00 0.00 O ATOM 215 CB HIS A 180 4.164 -1.151 -11.797 1.00 0.00 C ATOM 216 CG HIS A 180 3.910 0.078 -12.612 1.00 0.00 C ATOM 217 ND1 HIS A 180 4.915 0.969 -12.902 1.00 0.00 N ATOM 218 CD2 HIS A 180 2.751 0.523 -13.157 1.00 0.00 C ATOM 219 CE1 HIS A 180 4.350 1.934 -13.607 1.00 0.00 C ATOM 220 NE2 HIS A 180 3.040 1.707 -13.787 1.00 0.00 N ATOM 0 H HIS A 180 4.489 0.430 -9.920 1.00 0.00 H new ATOM 0 HA HIS A 180 2.271 -1.119 -10.791 1.00 0.00 H new ATOM 0 HB2 HIS A 180 5.220 -1.193 -11.532 1.00 0.00 H new ATOM 0 HB3 HIS A 180 3.952 -2.032 -12.403 1.00 0.00 H new ATOM 0 HD2 HIS A 180 1.787 0.039 -13.105 1.00 0.00 H new ATOM 0 HE1 HIS A 180 4.876 2.796 -13.990 1.00 0.00 H new ATOM 0 HE2 HIS A 180 2.384 2.301 -14.295 1.00 0.00 H new ATOM 227 N ASP A 181 4.741 -2.822 -9.371 1.00 0.00 N ATOM 228 CA ASP A 181 5.052 -4.119 -8.763 1.00 0.00 C ATOM 229 C ASP A 181 4.424 -4.289 -7.386 1.00 0.00 C ATOM 230 O ASP A 181 3.633 -5.210 -7.175 1.00 0.00 O ATOM 231 CB ASP A 181 6.564 -4.327 -8.662 1.00 0.00 C ATOM 232 CG ASP A 181 7.169 -4.851 -9.945 1.00 0.00 C ATOM 233 OD1 ASP A 181 7.189 -6.086 -10.130 1.00 0.00 O ATOM 234 OD2 ASP A 181 7.649 -4.040 -10.762 1.00 0.00 O ATOM 0 H ASP A 181 5.530 -2.177 -9.426 1.00 0.00 H new ATOM 0 HA ASP A 181 4.621 -4.874 -9.421 1.00 0.00 H new ATOM 0 HB2 ASP A 181 7.040 -3.382 -8.401 1.00 0.00 H new ATOM 0 HB3 ASP A 181 6.777 -5.026 -7.853 1.00 0.00 H new ATOM 239 N CYS A 182 4.776 -3.414 -6.453 1.00 0.00 N ATOM 240 CA CYS A 182 4.312 -3.547 -5.075 1.00 0.00 C ATOM 241 C CYS A 182 2.801 -3.464 -4.995 1.00 0.00 C ATOM 242 O CYS A 182 2.187 -4.292 -4.332 1.00 0.00 O ATOM 243 CB CYS A 182 4.953 -2.495 -4.152 1.00 0.00 C ATOM 244 SG CYS A 182 4.481 -2.632 -2.392 1.00 0.00 S ATOM 0 H CYS A 182 5.378 -2.608 -6.622 1.00 0.00 H new ATOM 0 HA CYS A 182 4.624 -4.532 -4.729 1.00 0.00 H new ATOM 0 HB2 CYS A 182 6.037 -2.575 -4.230 1.00 0.00 H new ATOM 0 HB3 CYS A 182 4.680 -1.503 -4.511 1.00 0.00 H new ATOM 249 N VAL A 183 2.179 -2.499 -5.671 1.00 0.00 N ATOM 250 CA VAL A 183 0.737 -2.351 -5.542 1.00 0.00 C ATOM 251 C VAL A 183 0.032 -3.552 -6.145 1.00 0.00 C ATOM 252 O VAL A 183 -1.033 -3.947 -5.689 1.00 0.00 O ATOM 253 CB VAL A 183 0.225 -1.043 -6.164 1.00 0.00 C ATOM 254 CG1 VAL A 183 -1.282 -0.905 -6.007 1.00 0.00 C ATOM 255 CG2 VAL A 183 0.946 0.131 -5.529 1.00 0.00 C ATOM 0 H VAL A 183 2.635 -1.831 -6.292 1.00 0.00 H new ATOM 0 HA VAL A 183 0.506 -2.301 -4.478 1.00 0.00 H new ATOM 0 HB VAL A 183 0.435 -1.058 -7.233 1.00 0.00 H new ATOM 0 HG11 VAL A 183 -1.611 0.031 -6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 183 -1.777 -1.740 -6.502 1.00 0.00 H new ATOM 0 HG13 VAL A 183 -1.539 -0.907 -4.948 1.00 0.00 H new ATOM 0 HG21 VAL A 183 0.585 1.061 -5.968 1.00 0.00 H new ATOM 0 HG22 VAL A 183 0.755 0.138 -4.456 1.00 0.00 H new ATOM 0 HG23 VAL A 183 2.018 0.039 -5.706 1.00 0.00 H new ATOM 265 N ASN A 184 0.641 -4.159 -7.150 1.00 0.00 N ATOM 266 CA ASN A 184 0.107 -5.414 -7.670 1.00 0.00 C ATOM 267 C ASN A 184 0.099 -6.486 -6.581 1.00 0.00 C ATOM 268 O ASN A 184 -0.954 -7.013 -6.240 1.00 0.00 O ATOM 269 CB ASN A 184 0.896 -5.917 -8.881 1.00 0.00 C ATOM 270 CG ASN A 184 0.194 -5.626 -10.197 1.00 0.00 C ATOM 271 OD1 ASN A 184 -0.602 -6.436 -10.679 1.00 0.00 O ATOM 272 ND2 ASN A 184 0.489 -4.485 -10.794 1.00 0.00 N ATOM 0 H ASN A 184 1.483 -3.818 -7.614 1.00 0.00 H new ATOM 0 HA ASN A 184 -0.915 -5.215 -7.994 1.00 0.00 H new ATOM 0 HB2 ASN A 184 1.881 -5.450 -8.888 1.00 0.00 H new ATOM 0 HB3 ASN A 184 1.053 -6.992 -8.787 1.00 0.00 H new ATOM 0 HD21 ASN A 184 0.053 -4.248 -11.685 1.00 0.00 H new ATOM 0 HD22 ASN A 184 1.152 -3.841 -10.364 1.00 0.00 H new ATOM 279 N ILE A 185 1.259 -6.773 -6.000 1.00 0.00 N ATOM 280 CA ILE A 185 1.361 -7.823 -4.987 1.00 0.00 C ATOM 281 C ILE A 185 0.527 -7.508 -3.748 1.00 0.00 C ATOM 282 O ILE A 185 -0.060 -8.405 -3.152 1.00 0.00 O ATOM 283 CB ILE A 185 2.830 -8.130 -4.592 1.00 0.00 C ATOM 284 CG1 ILE A 185 3.569 -6.898 -4.059 1.00 0.00 C ATOM 285 CG2 ILE A 185 3.579 -8.715 -5.778 1.00 0.00 C ATOM 286 CD1 ILE A 185 3.531 -6.762 -2.549 1.00 0.00 C ATOM 0 H ILE A 185 2.137 -6.298 -6.210 1.00 0.00 H new ATOM 0 HA ILE A 185 0.952 -8.722 -5.449 1.00 0.00 H new ATOM 0 HB ILE A 185 2.796 -8.858 -3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 185 4.609 -6.942 -4.384 1.00 0.00 H new ATOM 0 HG13 ILE A 185 3.133 -6.004 -4.505 1.00 0.00 H new ATOM 0 HG21 ILE A 185 4.609 -8.927 -5.490 1.00 0.00 H new ATOM 0 HG22 ILE A 185 3.094 -9.638 -6.095 1.00 0.00 H new ATOM 0 HG23 ILE A 185 3.572 -8.000 -6.601 1.00 0.00 H new ATOM 0 HD11 ILE A 185 4.076 -5.866 -2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 185 2.496 -6.685 -2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 185 3.994 -7.637 -2.093 1.00 0.00 H new ATOM 298 N THR A 186 0.462 -6.241 -3.369 1.00 0.00 N ATOM 299 CA THR A 186 -0.417 -5.833 -2.277 1.00 0.00 C ATOM 300 C THR A 186 -1.886 -5.993 -2.651 1.00 0.00 C ATOM 301 O THR A 186 -2.714 -6.275 -1.785 1.00 0.00 O ATOM 302 CB THR A 186 -0.144 -4.399 -1.789 1.00 0.00 C ATOM 303 OG1 THR A 186 0.183 -3.560 -2.891 1.00 0.00 O ATOM 304 CG2 THR A 186 0.974 -4.369 -0.752 1.00 0.00 C ATOM 0 H THR A 186 0.998 -5.484 -3.793 1.00 0.00 H new ATOM 0 HA THR A 186 -0.191 -6.504 -1.448 1.00 0.00 H new ATOM 0 HB THR A 186 -1.051 -4.026 -1.314 1.00 0.00 H new ATOM 0 HG1 THR A 186 1.157 -3.497 -2.976 1.00 0.00 H new ATOM 0 HG21 THR A 186 1.142 -3.342 -0.428 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.691 -4.979 0.106 1.00 0.00 H new ATOM 0 HG23 THR A 186 1.889 -4.765 -1.192 1.00 0.00 H new ATOM 312 N VAL A 187 -2.223 -5.811 -3.927 1.00 0.00 N ATOM 313 CA VAL A 187 -3.573 -6.119 -4.380 1.00 0.00 C ATOM 314 C VAL A 187 -3.842 -7.598 -4.168 1.00 0.00 C ATOM 315 O VAL A 187 -4.885 -7.976 -3.640 1.00 0.00 O ATOM 316 CB VAL A 187 -3.833 -5.751 -5.868 1.00 0.00 C ATOM 317 CG1 VAL A 187 -5.086 -6.442 -6.390 1.00 0.00 C ATOM 318 CG2 VAL A 187 -3.978 -4.248 -6.045 1.00 0.00 C ATOM 0 H VAL A 187 -1.594 -5.460 -4.649 1.00 0.00 H new ATOM 0 HA VAL A 187 -4.252 -5.505 -3.789 1.00 0.00 H new ATOM 0 HB VAL A 187 -2.971 -6.094 -6.440 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -5.245 -6.168 -7.433 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -4.964 -7.522 -6.313 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -5.947 -6.131 -5.798 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -4.159 -4.021 -7.096 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -4.816 -3.890 -5.447 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -3.063 -3.753 -5.719 1.00 0.00 H new ATOM 328 N LYS A 188 -2.873 -8.427 -4.553 1.00 0.00 N ATOM 329 CA LYS A 188 -2.961 -9.856 -4.316 1.00 0.00 C ATOM 330 C LYS A 188 -3.171 -10.118 -2.826 1.00 0.00 C ATOM 331 O LYS A 188 -4.071 -10.853 -2.437 1.00 0.00 O ATOM 332 CB LYS A 188 -1.686 -10.565 -4.795 1.00 0.00 C ATOM 333 CG LYS A 188 -1.678 -10.979 -6.265 1.00 0.00 C ATOM 334 CD LYS A 188 -1.194 -9.876 -7.201 1.00 0.00 C ATOM 335 CE LYS A 188 -2.336 -9.008 -7.710 1.00 0.00 C ATOM 336 NZ LYS A 188 -3.419 -9.798 -8.354 1.00 0.00 N ATOM 0 H LYS A 188 -2.022 -8.129 -5.029 1.00 0.00 H new ATOM 0 HA LYS A 188 -3.807 -10.251 -4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 188 -0.836 -9.907 -4.616 1.00 0.00 H new ATOM 0 HB3 LYS A 188 -1.534 -11.455 -4.184 1.00 0.00 H new ATOM 0 HG2 LYS A 188 -1.039 -11.854 -6.385 1.00 0.00 H new ATOM 0 HG3 LYS A 188 -2.685 -11.277 -6.557 1.00 0.00 H new ATOM 0 HD2 LYS A 188 -0.470 -9.251 -6.678 1.00 0.00 H new ATOM 0 HD3 LYS A 188 -0.675 -10.324 -8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 188 -2.753 -8.440 -6.878 1.00 0.00 H new ATOM 0 HE3 LYS A 188 -1.945 -8.285 -8.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 -3.669 -9.365 -9.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 -3.091 -10.772 -8.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 -4.255 -9.809 -7.736 1.00 0.00 H new ATOM 350 N GLN A 189 -2.356 -9.459 -2.010 1.00 0.00 N ATOM 351 CA GLN A 189 -2.426 -9.567 -0.557 1.00 0.00 C ATOM 352 C GLN A 189 -3.820 -9.241 -0.043 1.00 0.00 C ATOM 353 O GLN A 189 -4.436 -10.040 0.665 1.00 0.00 O ATOM 354 CB GLN A 189 -1.401 -8.613 0.064 1.00 0.00 C ATOM 355 CG GLN A 189 -1.298 -8.711 1.573 1.00 0.00 C ATOM 356 CD GLN A 189 0.048 -8.236 2.082 1.00 0.00 C ATOM 357 OE1 GLN A 189 0.158 -7.695 3.181 1.00 0.00 O ATOM 358 NE2 GLN A 189 1.086 -8.458 1.291 1.00 0.00 N ATOM 0 H GLN A 189 -1.623 -8.831 -2.340 1.00 0.00 H new ATOM 0 HA GLN A 189 -2.201 -10.595 -0.272 1.00 0.00 H new ATOM 0 HB2 GLN A 189 -0.422 -8.816 -0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 189 -1.663 -7.590 -0.206 1.00 0.00 H new ATOM 0 HG2 GLN A 189 -2.089 -8.116 2.030 1.00 0.00 H new ATOM 0 HG3 GLN A 189 -1.458 -9.744 1.881 1.00 0.00 H new ATOM 0 HE21 GLN A 189 0.951 -8.910 0.387 1.00 0.00 H new ATOM 0 HE22 GLN A 189 2.021 -8.177 1.586 1.00 0.00 H new ATOM 367 N HIS A 190 -4.319 -8.077 -0.424 1.00 0.00 N ATOM 368 CA HIS A 190 -5.597 -7.600 0.070 1.00 0.00 C ATOM 369 C HIS A 190 -6.728 -8.497 -0.424 1.00 0.00 C ATOM 370 O HIS A 190 -7.637 -8.832 0.337 1.00 0.00 O ATOM 371 CB HIS A 190 -5.827 -6.154 -0.364 1.00 0.00 C ATOM 372 CG HIS A 190 -6.488 -5.312 0.686 1.00 0.00 C ATOM 373 ND1 HIS A 190 -7.627 -4.597 0.422 1.00 0.00 N ATOM 374 CD2 HIS A 190 -6.114 -5.087 1.970 1.00 0.00 C ATOM 375 CE1 HIS A 190 -7.923 -3.956 1.536 1.00 0.00 C ATOM 376 NE2 HIS A 190 -7.034 -4.221 2.507 1.00 0.00 N ATOM 0 H HIS A 190 -3.856 -7.444 -1.076 1.00 0.00 H new ATOM 0 HA HIS A 190 -5.584 -7.635 1.159 1.00 0.00 H new ATOM 0 HB2 HIS A 190 -4.869 -5.706 -0.628 1.00 0.00 H new ATOM 0 HB3 HIS A 190 -6.441 -6.147 -1.264 1.00 0.00 H new ATOM 0 HD2 HIS A 190 -5.257 -5.508 2.474 1.00 0.00 H new ATOM 0 HE1 HIS A 190 -8.773 -3.300 1.653 1.00 0.00 H new ATOM 0 HE2 HIS A 190 -7.041 -3.851 3.458 1.00 0.00 H new ATOM 383 N THR A 191 -6.658 -8.908 -1.689 1.00 0.00 N ATOM 384 CA THR A 191 -7.673 -9.790 -2.245 1.00 0.00 C ATOM 385 C THR A 191 -7.648 -11.155 -1.560 1.00 0.00 C ATOM 386 O THR A 191 -8.691 -11.768 -1.362 1.00 0.00 O ATOM 387 CB THR A 191 -7.527 -9.974 -3.773 1.00 0.00 C ATOM 388 OG1 THR A 191 -6.201 -10.399 -4.109 1.00 0.00 O ATOM 389 CG2 THR A 191 -7.851 -8.685 -4.507 1.00 0.00 C ATOM 0 H THR A 191 -5.917 -8.646 -2.339 1.00 0.00 H new ATOM 0 HA THR A 191 -8.632 -9.308 -2.058 1.00 0.00 H new ATOM 0 HB THR A 191 -8.235 -10.743 -4.083 1.00 0.00 H new ATOM 0 HG1 THR A 191 -5.673 -10.502 -3.290 1.00 0.00 H new ATOM 0 HG21 THR A 191 -7.741 -8.840 -5.580 1.00 0.00 H new ATOM 0 HG22 THR A 191 -8.876 -8.389 -4.286 1.00 0.00 H new ATOM 0 HG23 THR A 191 -7.168 -7.900 -4.182 1.00 0.00 H new ATOM 397 N VAL A 192 -6.457 -11.621 -1.183 1.00 0.00 N ATOM 398 CA VAL A 192 -6.322 -12.893 -0.479 1.00 0.00 C ATOM 399 C VAL A 192 -6.966 -12.814 0.903 1.00 0.00 C ATOM 400 O VAL A 192 -7.762 -13.677 1.274 1.00 0.00 O ATOM 401 CB VAL A 192 -4.843 -13.333 -0.348 1.00 0.00 C ATOM 402 CG1 VAL A 192 -4.701 -14.485 0.640 1.00 0.00 C ATOM 403 CG2 VAL A 192 -4.293 -13.747 -1.705 1.00 0.00 C ATOM 0 H VAL A 192 -5.575 -11.137 -1.353 1.00 0.00 H new ATOM 0 HA VAL A 192 -6.840 -13.644 -1.076 1.00 0.00 H new ATOM 0 HB VAL A 192 -4.272 -12.484 0.027 1.00 0.00 H new ATOM 0 HG11 VAL A 192 -3.653 -14.774 0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 192 -5.060 -14.170 1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 192 -5.289 -15.335 0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 192 -3.253 -14.054 -1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 192 -4.878 -14.579 -2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 192 -4.354 -12.905 -2.394 1.00 0.00 H new ATOM 413 N THR A 193 -6.637 -11.773 1.655 1.00 0.00 N ATOM 414 CA THR A 193 -7.230 -11.574 2.968 1.00 0.00 C ATOM 415 C THR A 193 -8.743 -11.406 2.849 1.00 0.00 C ATOM 416 O THR A 193 -9.515 -12.023 3.582 1.00 0.00 O ATOM 417 CB THR A 193 -6.622 -10.345 3.671 1.00 0.00 C ATOM 418 OG1 THR A 193 -5.194 -10.458 3.685 1.00 0.00 O ATOM 419 CG2 THR A 193 -7.140 -10.217 5.099 1.00 0.00 C ATOM 0 H THR A 193 -5.965 -11.056 1.379 1.00 0.00 H new ATOM 0 HA THR A 193 -7.014 -12.457 3.569 1.00 0.00 H new ATOM 0 HB THR A 193 -6.917 -9.453 3.119 1.00 0.00 H new ATOM 0 HG1 THR A 193 -4.841 -10.249 2.795 1.00 0.00 H new ATOM 0 HG21 THR A 193 -6.694 -9.341 5.571 1.00 0.00 H new ATOM 0 HG22 THR A 193 -8.225 -10.109 5.084 1.00 0.00 H new ATOM 0 HG23 THR A 193 -6.872 -11.109 5.665 1.00 0.00 H new ATOM 427 N THR A 194 -9.160 -10.598 1.888 1.00 0.00 N ATOM 428 CA THR A 194 -10.570 -10.337 1.664 1.00 0.00 C ATOM 429 C THR A 194 -11.308 -11.578 1.153 1.00 0.00 C ATOM 430 O THR A 194 -12.515 -11.723 1.347 1.00 0.00 O ATOM 431 CB THR A 194 -10.754 -9.179 0.677 1.00 0.00 C ATOM 432 OG1 THR A 194 -10.117 -8.001 1.190 1.00 0.00 O ATOM 433 CG2 THR A 194 -12.220 -8.900 0.445 1.00 0.00 C ATOM 0 H THR A 194 -8.536 -10.109 1.247 1.00 0.00 H new ATOM 0 HA THR A 194 -11.002 -10.063 2.626 1.00 0.00 H new ATOM 0 HB THR A 194 -10.299 -9.460 -0.273 1.00 0.00 H new ATOM 0 HG1 THR A 194 -9.829 -7.434 0.444 1.00 0.00 H new ATOM 0 HG21 THR A 194 -12.326 -8.074 -0.259 1.00 0.00 H new ATOM 0 HG22 THR A 194 -12.699 -9.789 0.036 1.00 0.00 H new ATOM 0 HG23 THR A 194 -12.694 -8.634 1.390 1.00 0.00 H new ATOM 441 N THR A 195 -10.602 -12.473 0.492 1.00 0.00 N ATOM 442 CA THR A 195 -11.201 -13.732 0.113 1.00 0.00 C ATOM 443 C THR A 195 -11.285 -14.642 1.328 1.00 0.00 C ATOM 444 O THR A 195 -12.325 -15.199 1.619 1.00 0.00 O ATOM 445 CB THR A 195 -10.429 -14.436 -1.021 1.00 0.00 C ATOM 446 OG1 THR A 195 -10.379 -13.586 -2.175 1.00 0.00 O ATOM 447 CG2 THR A 195 -11.094 -15.756 -1.388 1.00 0.00 C ATOM 0 H THR A 195 -9.629 -12.354 0.211 1.00 0.00 H new ATOM 0 HA THR A 195 -12.200 -13.518 -0.266 1.00 0.00 H new ATOM 0 HB THR A 195 -9.417 -14.641 -0.673 1.00 0.00 H new ATOM 0 HG1 THR A 195 -9.969 -12.730 -1.933 1.00 0.00 H new ATOM 0 HG21 THR A 195 -10.533 -16.236 -2.190 1.00 0.00 H new ATOM 0 HG22 THR A 195 -11.111 -16.410 -0.516 1.00 0.00 H new ATOM 0 HG23 THR A 195 -12.115 -15.569 -1.721 1.00 0.00 H new ATOM 455 N THR A 196 -10.209 -14.741 2.076 1.00 0.00 N ATOM 456 CA THR A 196 -10.183 -15.641 3.214 1.00 0.00 C ATOM 457 C THR A 196 -11.012 -15.101 4.387 1.00 0.00 C ATOM 458 O THR A 196 -11.236 -15.806 5.368 1.00 0.00 O ATOM 459 CB THR A 196 -8.739 -15.926 3.663 1.00 0.00 C ATOM 460 OG1 THR A 196 -8.055 -14.700 3.956 1.00 0.00 O ATOM 461 CG2 THR A 196 -7.981 -16.680 2.583 1.00 0.00 C ATOM 0 H THR A 196 -9.348 -14.217 1.922 1.00 0.00 H new ATOM 0 HA THR A 196 -10.636 -16.578 2.890 1.00 0.00 H new ATOM 0 HB THR A 196 -8.781 -16.539 4.563 1.00 0.00 H new ATOM 0 HG1 THR A 196 -7.790 -14.265 3.119 1.00 0.00 H new ATOM 0 HG21 THR A 196 -6.962 -16.872 2.920 1.00 0.00 H new ATOM 0 HG22 THR A 196 -8.481 -17.627 2.382 1.00 0.00 H new ATOM 0 HG23 THR A 196 -7.955 -16.082 1.672 1.00 0.00 H new ATOM 469 N LYS A 197 -11.473 -13.853 4.280 1.00 0.00 N ATOM 470 CA LYS A 197 -12.341 -13.262 5.302 1.00 0.00 C ATOM 471 C LYS A 197 -13.758 -13.842 5.234 1.00 0.00 C ATOM 472 O LYS A 197 -14.590 -13.560 6.097 1.00 0.00 O ATOM 473 CB LYS A 197 -12.399 -11.733 5.152 1.00 0.00 C ATOM 474 CG LYS A 197 -13.352 -11.238 4.068 1.00 0.00 C ATOM 475 CD LYS A 197 -13.268 -9.727 3.898 1.00 0.00 C ATOM 476 CE LYS A 197 -14.303 -9.199 2.904 1.00 0.00 C ATOM 477 NZ LYS A 197 -14.334 -7.709 2.887 1.00 0.00 N ATOM 0 H LYS A 197 -11.261 -13.233 3.498 1.00 0.00 H new ATOM 0 HA LYS A 197 -11.913 -13.508 6.274 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -12.697 -11.298 6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -11.397 -11.364 4.933 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -13.114 -11.725 3.123 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -14.373 -11.520 4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -13.417 -9.246 4.865 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -12.269 -9.456 3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -14.073 -9.571 1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -15.289 -9.581 3.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -14.677 -7.379 1.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -14.971 -7.366 3.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -13.376 -7.340 3.053 1.00 0.00 H new ATOM 491 N GLY A 198 -14.030 -14.651 4.214 1.00 0.00 N ATOM 492 CA GLY A 198 -15.357 -15.224 4.061 1.00 0.00 C ATOM 493 C GLY A 198 -15.776 -15.380 2.609 1.00 0.00 C ATOM 494 O GLY A 198 -16.869 -15.871 2.327 1.00 0.00 O ATOM 0 H GLY A 198 -13.359 -14.919 3.494 1.00 0.00 H new ATOM 0 HA2 GLY A 198 -15.383 -16.199 4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 198 -16.081 -14.592 4.576 1.00 0.00 H new ATOM 498 N GLU A 199 -14.904 -14.952 1.698 1.00 0.00 N ATOM 499 CA GLU A 199 -15.109 -15.082 0.261 1.00 0.00 C ATOM 500 C GLU A 199 -16.415 -14.423 -0.185 1.00 0.00 C ATOM 501 O GLU A 199 -17.393 -15.100 -0.504 1.00 0.00 O ATOM 502 CB GLU A 199 -15.062 -16.558 -0.161 1.00 0.00 C ATOM 503 CG GLU A 199 -13.867 -17.310 0.396 1.00 0.00 C ATOM 504 CD GLU A 199 -13.844 -18.770 0.014 1.00 0.00 C ATOM 505 OE1 GLU A 199 -13.347 -19.097 -1.084 1.00 0.00 O ATOM 506 OE2 GLU A 199 -14.292 -19.605 0.824 1.00 0.00 O ATOM 0 H GLU A 199 -14.024 -14.499 1.943 1.00 0.00 H new ATOM 0 HA GLU A 199 -14.295 -14.557 -0.239 1.00 0.00 H new ATOM 0 HB2 GLU A 199 -15.977 -17.051 0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 199 -15.042 -16.616 -1.249 1.00 0.00 H new ATOM 0 HG2 GLU A 199 -12.952 -16.835 0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 199 -13.870 -17.227 1.483 1.00 0.00 H new ATOM 513 N ASN A 200 -16.421 -13.094 -0.196 1.00 0.00 N ATOM 514 CA ASN A 200 -17.580 -12.332 -0.653 1.00 0.00 C ATOM 515 C ASN A 200 -17.129 -11.163 -1.509 1.00 0.00 C ATOM 516 O ASN A 200 -17.561 -11.041 -2.655 1.00 0.00 O ATOM 517 CB ASN A 200 -18.410 -11.841 0.533 1.00 0.00 C ATOM 518 CG ASN A 200 -19.657 -11.093 0.094 1.00 0.00 C ATOM 519 OD1 ASN A 200 -20.692 -11.699 -0.181 1.00 0.00 O ATOM 520 ND2 ASN A 200 -19.575 -9.772 0.052 1.00 0.00 N ATOM 0 H ASN A 200 -15.634 -12.520 0.107 1.00 0.00 H new ATOM 0 HA ASN A 200 -18.209 -12.987 -1.256 1.00 0.00 H new ATOM 0 HB2 ASN A 200 -18.698 -12.693 1.149 1.00 0.00 H new ATOM 0 HB3 ASN A 200 -17.798 -11.189 1.156 1.00 0.00 H new ATOM 0 HD21 ASN A 200 -20.389 -9.219 -0.216 1.00 0.00 H new ATOM 0 HD22 ASN A 200 -18.698 -9.308 0.288 1.00 0.00 H new ATOM 527 N PHE A 201 -16.254 -10.315 -0.943 1.00 0.00 N ATOM 528 CA PHE A 201 -15.606 -9.219 -1.683 1.00 0.00 C ATOM 529 C PHE A 201 -16.548 -8.525 -2.662 1.00 0.00 C ATOM 530 O PHE A 201 -17.372 -7.708 -2.247 1.00 0.00 O ATOM 531 CB PHE A 201 -14.305 -9.701 -2.350 1.00 0.00 C ATOM 532 CG PHE A 201 -14.315 -11.119 -2.873 1.00 0.00 C ATOM 533 CD1 PHE A 201 -14.815 -11.418 -4.130 1.00 0.00 C ATOM 534 CD2 PHE A 201 -13.811 -12.152 -2.099 1.00 0.00 C ATOM 535 CE1 PHE A 201 -14.814 -12.715 -4.604 1.00 0.00 C ATOM 536 CE2 PHE A 201 -13.809 -13.452 -2.568 1.00 0.00 C ATOM 537 CZ PHE A 201 -14.313 -13.734 -3.821 1.00 0.00 C ATOM 0 H PHE A 201 -15.977 -10.369 0.037 1.00 0.00 H new ATOM 0 HA PHE A 201 -15.336 -8.453 -0.956 1.00 0.00 H new ATOM 0 HB2 PHE A 201 -14.075 -9.031 -3.178 1.00 0.00 H new ATOM 0 HB3 PHE A 201 -13.493 -9.607 -1.628 1.00 0.00 H new ATOM 0 HD1 PHE A 201 -15.211 -10.626 -4.748 1.00 0.00 H new ATOM 0 HD2 PHE A 201 -13.415 -11.939 -1.117 1.00 0.00 H new ATOM 0 HE1 PHE A 201 -15.205 -12.931 -5.587 1.00 0.00 H new ATOM 0 HE2 PHE A 201 -13.413 -14.247 -1.954 1.00 0.00 H new ATOM 0 HZ PHE A 201 -14.315 -14.750 -4.188 1.00 0.00 H new ATOM 547 N THR A 202 -16.411 -8.856 -3.937 1.00 0.00 N ATOM 548 CA THR A 202 -17.241 -8.311 -5.015 1.00 0.00 C ATOM 549 C THR A 202 -16.525 -7.107 -5.597 1.00 0.00 C ATOM 550 O THR A 202 -15.747 -6.484 -4.878 1.00 0.00 O ATOM 551 CB THR A 202 -18.668 -7.897 -4.553 1.00 0.00 C ATOM 552 OG1 THR A 202 -19.316 -8.997 -3.890 1.00 0.00 O ATOM 553 CG2 THR A 202 -19.526 -7.446 -5.726 1.00 0.00 C ATOM 0 H THR A 202 -15.710 -9.521 -4.263 1.00 0.00 H new ATOM 0 HA THR A 202 -17.380 -9.098 -5.757 1.00 0.00 H new ATOM 0 HB THR A 202 -18.557 -7.061 -3.862 1.00 0.00 H new ATOM 0 HG1 THR A 202 -18.649 -9.674 -3.652 1.00 0.00 H new ATOM 0 HG21 THR A 202 -20.516 -7.164 -5.366 1.00 0.00 H new ATOM 0 HG22 THR A 202 -19.059 -6.589 -6.210 1.00 0.00 H new ATOM 0 HG23 THR A 202 -19.619 -8.261 -6.443 1.00 0.00 H new ATOM 561 N GLU A 203 -16.733 -6.792 -6.871 1.00 0.00 N ATOM 562 CA GLU A 203 -16.000 -5.696 -7.509 1.00 0.00 C ATOM 563 C GLU A 203 -16.024 -4.439 -6.647 1.00 0.00 C ATOM 564 O GLU A 203 -15.047 -3.698 -6.605 1.00 0.00 O ATOM 565 CB GLU A 203 -16.553 -5.389 -8.900 1.00 0.00 C ATOM 566 CG GLU A 203 -15.845 -4.221 -9.575 1.00 0.00 C ATOM 567 CD GLU A 203 -16.490 -3.806 -10.880 1.00 0.00 C ATOM 568 OE1 GLU A 203 -16.195 -4.435 -11.918 1.00 0.00 O ATOM 569 OE2 GLU A 203 -17.282 -2.836 -10.870 1.00 0.00 O ATOM 0 H GLU A 203 -17.395 -7.272 -7.480 1.00 0.00 H new ATOM 0 HA GLU A 203 -14.966 -6.023 -7.616 1.00 0.00 H new ATOM 0 HB2 GLU A 203 -16.459 -6.276 -9.527 1.00 0.00 H new ATOM 0 HB3 GLU A 203 -17.617 -5.166 -8.821 1.00 0.00 H new ATOM 0 HG2 GLU A 203 -15.835 -3.369 -8.895 1.00 0.00 H new ATOM 0 HG3 GLU A 203 -14.806 -4.493 -9.761 1.00 0.00 H new ATOM 576 N THR A 204 -17.111 -4.247 -5.907 1.00 0.00 N ATOM 577 CA THR A 204 -17.229 -3.131 -4.988 1.00 0.00 C ATOM 578 C THR A 204 -16.093 -3.145 -3.981 1.00 0.00 C ATOM 579 O THR A 204 -15.364 -2.164 -3.831 1.00 0.00 O ATOM 580 CB THR A 204 -18.544 -3.227 -4.204 1.00 0.00 C ATOM 581 OG1 THR A 204 -19.655 -3.199 -5.107 1.00 0.00 O ATOM 582 CG2 THR A 204 -18.648 -2.086 -3.202 1.00 0.00 C ATOM 0 H THR A 204 -17.927 -4.858 -5.930 1.00 0.00 H new ATOM 0 HA THR A 204 -17.199 -2.214 -5.577 1.00 0.00 H new ATOM 0 HB THR A 204 -18.559 -4.169 -3.656 1.00 0.00 H new ATOM 0 HG1 THR A 204 -20.491 -3.262 -4.599 1.00 0.00 H new ATOM 0 HG21 THR A 204 -19.586 -2.168 -2.654 1.00 0.00 H new ATOM 0 HG22 THR A 204 -17.813 -2.138 -2.503 1.00 0.00 H new ATOM 0 HG23 THR A 204 -18.619 -1.133 -3.731 1.00 0.00 H new ATOM 590 N ASP A 205 -15.938 -4.275 -3.320 1.00 0.00 N ATOM 591 CA ASP A 205 -14.940 -4.417 -2.284 1.00 0.00 C ATOM 592 C ASP A 205 -13.562 -4.500 -2.905 1.00 0.00 C ATOM 593 O ASP A 205 -12.620 -3.953 -2.375 1.00 0.00 O ATOM 594 CB ASP A 205 -15.219 -5.672 -1.446 1.00 0.00 C ATOM 595 CG ASP A 205 -14.431 -5.746 -0.147 1.00 0.00 C ATOM 596 OD1 ASP A 205 -13.189 -5.757 -0.188 1.00 0.00 O ATOM 597 OD2 ASP A 205 -15.064 -5.810 0.931 1.00 0.00 O ATOM 0 H ASP A 205 -16.496 -5.113 -3.485 1.00 0.00 H new ATOM 0 HA ASP A 205 -14.983 -3.546 -1.630 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -16.283 -5.710 -1.214 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -14.991 -6.553 -2.046 1.00 0.00 H new ATOM 602 N ILE A 206 -13.462 -5.156 -4.055 1.00 0.00 N ATOM 603 CA ILE A 206 -12.173 -5.425 -4.678 1.00 0.00 C ATOM 604 C ILE A 206 -11.565 -4.183 -5.316 1.00 0.00 C ATOM 605 O ILE A 206 -10.355 -3.967 -5.232 1.00 0.00 O ATOM 606 CB ILE A 206 -12.304 -6.565 -5.696 1.00 0.00 C ATOM 607 CG1 ILE A 206 -12.916 -7.751 -4.967 1.00 0.00 C ATOM 608 CG2 ILE A 206 -10.934 -6.918 -6.252 1.00 0.00 C ATOM 609 CD1 ILE A 206 -13.700 -8.714 -5.806 1.00 0.00 C ATOM 0 H ILE A 206 -14.263 -5.513 -4.577 1.00 0.00 H new ATOM 0 HA ILE A 206 -11.486 -5.734 -3.890 1.00 0.00 H new ATOM 0 HB ILE A 206 -12.935 -6.274 -6.536 1.00 0.00 H new ATOM 0 HG12 ILE A 206 -12.114 -8.301 -4.475 1.00 0.00 H new ATOM 0 HG13 ILE A 206 -13.570 -7.370 -4.182 1.00 0.00 H new ATOM 0 HG21 ILE A 206 -11.032 -7.728 -6.975 1.00 0.00 H new ATOM 0 HG22 ILE A 206 -10.504 -6.045 -6.742 1.00 0.00 H new ATOM 0 HG23 ILE A 206 -10.282 -7.235 -5.438 1.00 0.00 H new ATOM 0 HD11 ILE A 206 -14.086 -9.515 -5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 206 -14.532 -8.191 -6.278 1.00 0.00 H new ATOM 0 HD13 ILE A 206 -13.053 -9.137 -6.575 1.00 0.00 H new ATOM 621 N LYS A 207 -12.390 -3.360 -5.940 1.00 0.00 N ATOM 622 CA LYS A 207 -11.917 -2.076 -6.430 1.00 0.00 C ATOM 623 C LYS A 207 -11.504 -1.240 -5.240 1.00 0.00 C ATOM 624 O LYS A 207 -10.443 -0.634 -5.244 1.00 0.00 O ATOM 625 CB LYS A 207 -12.997 -1.375 -7.270 1.00 0.00 C ATOM 626 CG LYS A 207 -14.185 -0.854 -6.474 1.00 0.00 C ATOM 627 CD LYS A 207 -15.386 -0.630 -7.369 1.00 0.00 C ATOM 628 CE LYS A 207 -16.502 0.102 -6.650 1.00 0.00 C ATOM 629 NZ LYS A 207 -17.660 0.354 -7.549 1.00 0.00 N ATOM 0 H LYS A 207 -13.376 -3.553 -6.118 1.00 0.00 H new ATOM 0 HA LYS A 207 -11.059 -2.219 -7.087 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -12.539 -0.541 -7.802 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -13.361 -2.073 -8.024 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -14.441 -1.566 -5.689 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -13.915 0.080 -5.982 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -15.083 -0.058 -8.246 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -15.755 -1.591 -7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -16.828 -0.485 -5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -16.127 1.050 -6.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -18.404 0.856 -7.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -17.353 0.935 -8.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -18.033 -0.552 -7.897 1.00 0.00 H new ATOM 643 N ALA A 208 -12.323 -1.276 -4.195 1.00 0.00 N ATOM 644 CA ALA A 208 -12.020 -0.584 -2.959 1.00 0.00 C ATOM 645 C ALA A 208 -10.707 -1.099 -2.370 1.00 0.00 C ATOM 646 O ALA A 208 -9.919 -0.325 -1.829 1.00 0.00 O ATOM 647 CB ALA A 208 -13.168 -0.740 -1.970 1.00 0.00 C ATOM 0 H ALA A 208 -13.208 -1.783 -4.185 1.00 0.00 H new ATOM 0 HA ALA A 208 -11.900 0.479 -3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -12.926 -0.215 -1.046 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -14.078 -0.319 -2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -13.323 -1.798 -1.756 1.00 0.00 H new ATOM 653 N MET A 209 -10.473 -2.409 -2.504 1.00 0.00 N ATOM 654 CA MET A 209 -9.222 -3.023 -2.078 1.00 0.00 C ATOM 655 C MET A 209 -8.057 -2.332 -2.762 1.00 0.00 C ATOM 656 O MET A 209 -7.177 -1.798 -2.106 1.00 0.00 O ATOM 657 CB MET A 209 -9.169 -4.525 -2.430 1.00 0.00 C ATOM 658 CG MET A 209 -10.201 -5.404 -1.735 1.00 0.00 C ATOM 659 SD MET A 209 -9.723 -7.141 -1.765 1.00 0.00 S ATOM 660 CE MET A 209 -11.200 -7.895 -2.429 1.00 0.00 C ATOM 0 H MET A 209 -11.142 -3.064 -2.908 1.00 0.00 H new ATOM 0 HA MET A 209 -9.159 -2.916 -0.995 1.00 0.00 H new ATOM 0 HB2 MET A 209 -9.295 -4.631 -3.507 1.00 0.00 H new ATOM 0 HB3 MET A 209 -8.175 -4.901 -2.187 1.00 0.00 H new ATOM 0 HG2 MET A 209 -10.321 -5.077 -0.702 1.00 0.00 H new ATOM 0 HG3 MET A 209 -11.169 -5.284 -2.222 1.00 0.00 H new ATOM 0 HE1 MET A 209 -11.328 -8.888 -1.997 1.00 0.00 H new ATOM 0 HE2 MET A 209 -12.065 -7.279 -2.184 1.00 0.00 H new ATOM 0 HE3 MET A 209 -11.110 -7.980 -3.512 1.00 0.00 H new ATOM 670 N GLU A 210 -8.100 -2.312 -4.090 1.00 0.00 N ATOM 671 CA GLU A 210 -7.050 -1.715 -4.908 1.00 0.00 C ATOM 672 C GLU A 210 -6.750 -0.271 -4.507 1.00 0.00 C ATOM 673 O GLU A 210 -5.603 0.168 -4.580 1.00 0.00 O ATOM 674 CB GLU A 210 -7.447 -1.775 -6.383 1.00 0.00 C ATOM 675 CG GLU A 210 -7.603 -3.188 -6.911 1.00 0.00 C ATOM 676 CD GLU A 210 -8.070 -3.215 -8.350 1.00 0.00 C ATOM 677 OE1 GLU A 210 -9.225 -2.807 -8.610 1.00 0.00 O ATOM 678 OE2 GLU A 210 -7.290 -3.638 -9.227 1.00 0.00 O ATOM 0 H GLU A 210 -8.867 -2.711 -4.631 1.00 0.00 H new ATOM 0 HA GLU A 210 -6.140 -2.292 -4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 210 -8.386 -1.239 -6.520 1.00 0.00 H new ATOM 0 HB3 GLU A 210 -6.694 -1.256 -6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 210 -6.650 -3.711 -6.831 1.00 0.00 H new ATOM 0 HG3 GLU A 210 -8.317 -3.729 -6.290 1.00 0.00 H new ATOM 685 N ARG A 211 -7.772 0.463 -4.076 1.00 0.00 N ATOM 686 CA ARG A 211 -7.582 1.858 -3.684 1.00 0.00 C ATOM 687 C ARG A 211 -6.750 1.920 -2.417 1.00 0.00 C ATOM 688 O ARG A 211 -5.795 2.686 -2.301 1.00 0.00 O ATOM 689 CB ARG A 211 -8.909 2.579 -3.419 1.00 0.00 C ATOM 690 CG ARG A 211 -10.090 2.179 -4.296 1.00 0.00 C ATOM 691 CD ARG A 211 -9.744 2.017 -5.780 1.00 0.00 C ATOM 692 NE ARG A 211 -8.747 2.971 -6.263 1.00 0.00 N ATOM 693 CZ ARG A 211 -8.832 3.609 -7.425 1.00 0.00 C ATOM 694 NH1 ARG A 211 -9.934 3.520 -8.162 1.00 0.00 N ATOM 695 NH2 ARG A 211 -7.816 4.351 -7.838 1.00 0.00 N ATOM 0 H ARG A 211 -8.729 0.122 -3.990 1.00 0.00 H new ATOM 0 HA ARG A 211 -7.080 2.356 -4.514 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -9.186 2.412 -2.378 1.00 0.00 H new ATOM 0 HB3 ARG A 211 -8.744 3.650 -3.537 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -10.501 1.240 -3.926 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -10.873 2.931 -4.197 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -9.376 1.005 -5.949 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -10.654 2.128 -6.369 1.00 0.00 H new ATOM 0 HE ARG A 211 -7.937 3.158 -5.672 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -10.721 2.959 -7.836 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -9.993 4.013 -9.053 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -6.976 4.430 -7.265 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -7.874 4.844 -8.729 1.00 0.00 H new ATOM 709 N VAL A 212 -7.140 1.103 -1.465 1.00 0.00 N ATOM 710 CA VAL A 212 -6.432 0.991 -0.205 1.00 0.00 C ATOM 711 C VAL A 212 -5.043 0.414 -0.433 1.00 0.00 C ATOM 712 O VAL A 212 -4.107 0.739 0.279 1.00 0.00 O ATOM 713 CB VAL A 212 -7.206 0.097 0.781 1.00 0.00 C ATOM 714 CG1 VAL A 212 -6.575 0.125 2.166 1.00 0.00 C ATOM 715 CG2 VAL A 212 -8.659 0.531 0.834 1.00 0.00 C ATOM 0 H VAL A 212 -7.957 0.496 -1.540 1.00 0.00 H new ATOM 0 HA VAL A 212 -6.344 1.989 0.223 1.00 0.00 H new ATOM 0 HB VAL A 212 -7.159 -0.933 0.427 1.00 0.00 H new ATOM 0 HG11 VAL A 212 -7.145 -0.516 2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 212 -5.548 -0.235 2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 212 -6.580 1.146 2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 212 -9.203 -0.104 1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 212 -8.717 1.568 1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 212 -9.102 0.442 -0.158 1.00 0.00 H new ATOM 725 N VAL A 213 -4.940 -0.451 -1.426 1.00 0.00 N ATOM 726 CA VAL A 213 -3.691 -1.115 -1.772 1.00 0.00 C ATOM 727 C VAL A 213 -2.677 -0.169 -2.419 1.00 0.00 C ATOM 728 O VAL A 213 -1.497 -0.193 -2.063 1.00 0.00 O ATOM 729 CB VAL A 213 -3.946 -2.300 -2.712 1.00 0.00 C ATOM 730 CG1 VAL A 213 -2.647 -2.800 -3.293 1.00 0.00 C ATOM 731 CG2 VAL A 213 -4.652 -3.420 -1.974 1.00 0.00 C ATOM 0 H VAL A 213 -5.725 -0.716 -2.021 1.00 0.00 H new ATOM 0 HA VAL A 213 -3.266 -1.470 -0.833 1.00 0.00 H new ATOM 0 HB VAL A 213 -4.586 -1.961 -3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 213 -2.845 -3.641 -3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 213 -2.167 -1.999 -3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 213 -1.988 -3.122 -2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 213 -4.825 -4.253 -2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 213 -4.032 -3.755 -1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 213 -5.607 -3.059 -1.592 1.00 0.00 H new ATOM 741 N GLU A 214 -3.114 0.650 -3.376 1.00 0.00 N ATOM 742 CA GLU A 214 -2.209 1.620 -3.993 1.00 0.00 C ATOM 743 C GLU A 214 -1.653 2.532 -2.914 1.00 0.00 C ATOM 744 O GLU A 214 -0.465 2.851 -2.896 1.00 0.00 O ATOM 745 CB GLU A 214 -2.908 2.429 -5.099 1.00 0.00 C ATOM 746 CG GLU A 214 -4.129 3.199 -4.627 1.00 0.00 C ATOM 747 CD GLU A 214 -4.758 4.044 -5.713 1.00 0.00 C ATOM 748 OE1 GLU A 214 -4.300 5.185 -5.923 1.00 0.00 O ATOM 749 OE2 GLU A 214 -5.718 3.578 -6.359 1.00 0.00 O ATOM 0 H GLU A 214 -4.069 0.663 -3.735 1.00 0.00 H new ATOM 0 HA GLU A 214 -1.390 1.083 -4.472 1.00 0.00 H new ATOM 0 HB2 GLU A 214 -2.193 3.131 -5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 214 -3.206 1.750 -5.898 1.00 0.00 H new ATOM 0 HG2 GLU A 214 -4.870 2.495 -4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 214 -3.845 3.842 -3.794 1.00 0.00 H new ATOM 756 N GLN A 215 -2.515 2.898 -1.986 1.00 0.00 N ATOM 757 CA GLN A 215 -2.109 3.652 -0.822 1.00 0.00 C ATOM 758 C GLN A 215 -1.322 2.778 0.143 1.00 0.00 C ATOM 759 O GLN A 215 -0.526 3.282 0.899 1.00 0.00 O ATOM 760 CB GLN A 215 -3.326 4.259 -0.130 1.00 0.00 C ATOM 761 CG GLN A 215 -3.898 5.464 -0.861 1.00 0.00 C ATOM 762 CD GLN A 215 -2.977 6.668 -0.800 1.00 0.00 C ATOM 763 OE1 GLN A 215 -3.044 7.461 0.139 1.00 0.00 O ATOM 764 NE2 GLN A 215 -2.126 6.826 -1.802 1.00 0.00 N ATOM 0 H GLN A 215 -3.511 2.681 -2.019 1.00 0.00 H new ATOM 0 HA GLN A 215 -1.458 4.462 -1.150 1.00 0.00 H new ATOM 0 HB2 GLN A 215 -4.100 3.497 -0.039 1.00 0.00 H new ATOM 0 HB3 GLN A 215 -3.049 4.555 0.882 1.00 0.00 H new ATOM 0 HG2 GLN A 215 -4.079 5.201 -1.903 1.00 0.00 H new ATOM 0 HG3 GLN A 215 -4.863 5.725 -0.426 1.00 0.00 H new ATOM 0 HE21 GLN A 215 -2.101 6.146 -2.562 1.00 0.00 H new ATOM 0 HE22 GLN A 215 -1.495 7.627 -1.814 1.00 0.00 H new ATOM 773 N MET A 216 -1.550 1.474 0.124 1.00 0.00 N ATOM 774 CA MET A 216 -0.877 0.571 1.055 1.00 0.00 C ATOM 775 C MET A 216 0.624 0.558 0.797 1.00 0.00 C ATOM 776 O MET A 216 1.412 0.804 1.703 1.00 0.00 O ATOM 777 CB MET A 216 -1.476 -0.850 0.984 1.00 0.00 C ATOM 778 CG MET A 216 -0.851 -1.834 1.967 1.00 0.00 C ATOM 779 SD MET A 216 -1.946 -3.206 2.423 1.00 0.00 S ATOM 780 CE MET A 216 -2.103 -4.104 0.879 1.00 0.00 C ATOM 0 H MET A 216 -2.193 1.015 -0.522 1.00 0.00 H new ATOM 0 HA MET A 216 -1.040 0.940 2.068 1.00 0.00 H new ATOM 0 HB2 MET A 216 -2.548 -0.792 1.175 1.00 0.00 H new ATOM 0 HB3 MET A 216 -1.353 -1.235 -0.028 1.00 0.00 H new ATOM 0 HG2 MET A 216 0.062 -2.239 1.530 1.00 0.00 H new ATOM 0 HG3 MET A 216 -0.561 -1.297 2.870 1.00 0.00 H new ATOM 0 HE1 MET A 216 -3.055 -4.635 0.862 1.00 0.00 H new ATOM 0 HE2 MET A 216 -2.064 -3.403 0.045 1.00 0.00 H new ATOM 0 HE3 MET A 216 -1.286 -4.820 0.790 1.00 0.00 H new ATOM 790 N CYS A 217 1.012 0.330 -0.442 1.00 0.00 N ATOM 791 CA CYS A 217 2.429 0.353 -0.812 1.00 0.00 C ATOM 792 C CYS A 217 2.992 1.761 -0.725 1.00 0.00 C ATOM 793 O CYS A 217 4.034 1.987 -0.119 1.00 0.00 O ATOM 794 CB CYS A 217 2.638 -0.196 -2.223 1.00 0.00 C ATOM 795 SG CYS A 217 2.549 -2.006 -2.315 1.00 0.00 S ATOM 0 H CYS A 217 0.376 0.127 -1.213 1.00 0.00 H new ATOM 0 HA CYS A 217 2.960 -0.284 -0.104 1.00 0.00 H new ATOM 0 HB2 CYS A 217 1.885 0.231 -2.886 1.00 0.00 H new ATOM 0 HB3 CYS A 217 3.610 0.131 -2.592 1.00 0.00 H new ATOM 800 N ILE A 218 2.278 2.702 -1.312 1.00 0.00 N ATOM 801 CA ILE A 218 2.707 4.088 -1.359 1.00 0.00 C ATOM 802 C ILE A 218 2.854 4.662 0.043 1.00 0.00 C ATOM 803 O ILE A 218 3.806 5.373 0.330 1.00 0.00 O ATOM 804 CB ILE A 218 1.723 4.921 -2.220 1.00 0.00 C ATOM 805 CG1 ILE A 218 1.966 4.612 -3.696 1.00 0.00 C ATOM 806 CG2 ILE A 218 1.854 6.407 -1.964 1.00 0.00 C ATOM 807 CD1 ILE A 218 1.004 5.288 -4.653 1.00 0.00 C ATOM 0 H ILE A 218 1.384 2.528 -1.770 1.00 0.00 H new ATOM 0 HA ILE A 218 3.690 4.136 -1.828 1.00 0.00 H new ATOM 0 HB ILE A 218 0.707 4.642 -1.941 1.00 0.00 H new ATOM 0 HG12 ILE A 218 2.982 4.911 -3.953 1.00 0.00 H new ATOM 0 HG13 ILE A 218 1.904 3.534 -3.842 1.00 0.00 H new ATOM 0 HG21 ILE A 218 1.145 6.948 -2.590 1.00 0.00 H new ATOM 0 HG22 ILE A 218 1.644 6.615 -0.915 1.00 0.00 H new ATOM 0 HG23 ILE A 218 2.868 6.729 -2.202 1.00 0.00 H new ATOM 0 HD11 ILE A 218 1.254 5.010 -5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 218 -0.015 4.971 -4.429 1.00 0.00 H new ATOM 0 HD13 ILE A 218 1.080 6.370 -4.542 1.00 0.00 H new ATOM 819 N THR A 219 1.934 4.312 0.919 1.00 0.00 N ATOM 820 CA THR A 219 1.997 4.731 2.312 1.00 0.00 C ATOM 821 C THR A 219 3.167 4.082 3.054 1.00 0.00 C ATOM 822 O THR A 219 3.897 4.757 3.784 1.00 0.00 O ATOM 823 CB THR A 219 0.663 4.434 3.035 1.00 0.00 C ATOM 824 OG1 THR A 219 -0.298 5.450 2.716 1.00 0.00 O ATOM 825 CG2 THR A 219 0.828 4.318 4.540 1.00 0.00 C ATOM 0 H THR A 219 1.125 3.733 0.692 1.00 0.00 H new ATOM 0 HA THR A 219 2.165 5.808 2.317 1.00 0.00 H new ATOM 0 HB THR A 219 0.309 3.466 2.681 1.00 0.00 H new ATOM 0 HG1 THR A 219 -0.822 5.171 1.937 1.00 0.00 H new ATOM 0 HG21 THR A 219 -0.139 4.109 4.997 1.00 0.00 H new ATOM 0 HG22 THR A 219 1.520 3.508 4.769 1.00 0.00 H new ATOM 0 HG23 THR A 219 1.222 5.254 4.936 1.00 0.00 H new ATOM 833 N GLN A 220 3.360 2.785 2.862 1.00 0.00 N ATOM 834 CA GLN A 220 4.457 2.086 3.526 1.00 0.00 C ATOM 835 C GLN A 220 5.800 2.583 3.017 1.00 0.00 C ATOM 836 O GLN A 220 6.762 2.722 3.776 1.00 0.00 O ATOM 837 CB GLN A 220 4.350 0.579 3.338 1.00 0.00 C ATOM 838 CG GLN A 220 3.089 -0.025 3.936 1.00 0.00 C ATOM 839 CD GLN A 220 3.008 0.047 5.458 1.00 0.00 C ATOM 840 OE1 GLN A 220 2.423 -0.830 6.090 1.00 0.00 O ATOM 841 NE2 GLN A 220 3.574 1.082 6.060 1.00 0.00 N ATOM 0 H GLN A 220 2.781 2.199 2.260 1.00 0.00 H new ATOM 0 HA GLN A 220 4.384 2.301 4.592 1.00 0.00 H new ATOM 0 HB2 GLN A 220 4.381 0.352 2.272 1.00 0.00 H new ATOM 0 HB3 GLN A 220 5.220 0.103 3.791 1.00 0.00 H new ATOM 0 HG2 GLN A 220 2.223 0.486 3.515 1.00 0.00 H new ATOM 0 HG3 GLN A 220 3.023 -1.069 3.631 1.00 0.00 H new ATOM 0 HE21 GLN A 220 4.053 1.794 5.508 1.00 0.00 H new ATOM 0 HE22 GLN A 220 3.531 1.167 7.076 1.00 0.00 H new ATOM 850 N TYR A 221 5.867 2.869 1.733 1.00 0.00 N ATOM 851 CA TYR A 221 7.097 3.369 1.160 1.00 0.00 C ATOM 852 C TYR A 221 7.294 4.850 1.478 1.00 0.00 C ATOM 853 O TYR A 221 8.429 5.322 1.552 1.00 0.00 O ATOM 854 CB TYR A 221 7.160 3.046 -0.334 1.00 0.00 C ATOM 855 CG TYR A 221 7.416 1.570 -0.565 1.00 0.00 C ATOM 856 CD1 TYR A 221 8.513 0.949 0.009 1.00 0.00 C ATOM 857 CD2 TYR A 221 6.560 0.793 -1.333 1.00 0.00 C ATOM 858 CE1 TYR A 221 8.756 -0.398 -0.174 1.00 0.00 C ATOM 859 CE2 TYR A 221 6.794 -0.557 -1.520 1.00 0.00 C ATOM 860 CZ TYR A 221 7.895 -1.146 -0.941 1.00 0.00 C ATOM 861 OH TYR A 221 8.131 -2.492 -1.120 1.00 0.00 O ATOM 0 H TYR A 221 5.095 2.765 1.075 1.00 0.00 H new ATOM 0 HA TYR A 221 7.941 2.857 1.622 1.00 0.00 H new ATOM 0 HB2 TYR A 221 6.223 3.334 -0.811 1.00 0.00 H new ATOM 0 HB3 TYR A 221 7.950 3.633 -0.803 1.00 0.00 H new ATOM 0 HD1 TYR A 221 9.193 1.531 0.613 1.00 0.00 H new ATOM 0 HD2 TYR A 221 5.696 1.251 -1.792 1.00 0.00 H new ATOM 0 HE1 TYR A 221 9.618 -0.861 0.283 1.00 0.00 H new ATOM 0 HE2 TYR A 221 6.115 -1.147 -2.118 1.00 0.00 H new ATOM 0 HH TYR A 221 7.429 -2.875 -1.687 1.00 0.00 H new ATOM 871 N GLN A 222 6.201 5.582 1.704 1.00 0.00 N ATOM 872 CA GLN A 222 6.307 6.916 2.287 1.00 0.00 C ATOM 873 C GLN A 222 6.905 6.815 3.683 1.00 0.00 C ATOM 874 O GLN A 222 7.656 7.694 4.115 1.00 0.00 O ATOM 875 CB GLN A 222 4.954 7.625 2.377 1.00 0.00 C ATOM 876 CG GLN A 222 4.438 8.151 1.052 1.00 0.00 C ATOM 877 CD GLN A 222 3.281 9.110 1.225 1.00 0.00 C ATOM 878 OE1 GLN A 222 3.475 10.323 1.327 1.00 0.00 O ATOM 879 NE2 GLN A 222 2.074 8.573 1.272 1.00 0.00 N ATOM 0 H GLN A 222 5.250 5.279 1.496 1.00 0.00 H new ATOM 0 HA GLN A 222 6.949 7.504 1.631 1.00 0.00 H new ATOM 0 HB2 GLN A 222 4.221 6.933 2.791 1.00 0.00 H new ATOM 0 HB3 GLN A 222 5.038 8.456 3.077 1.00 0.00 H new ATOM 0 HG2 GLN A 222 5.248 8.654 0.523 1.00 0.00 H new ATOM 0 HG3 GLN A 222 4.123 7.314 0.429 1.00 0.00 H new ATOM 0 HE21 GLN A 222 1.961 7.563 1.183 1.00 0.00 H new ATOM 0 HE22 GLN A 222 1.255 9.168 1.397 1.00 0.00 H new ATOM 888 N ARG A 223 6.572 5.736 4.387 1.00 0.00 N ATOM 889 CA ARG A 223 7.140 5.490 5.699 1.00 0.00 C ATOM 890 C ARG A 223 8.652 5.399 5.599 1.00 0.00 C ATOM 891 O ARG A 223 9.353 5.849 6.492 1.00 0.00 O ATOM 892 CB ARG A 223 6.563 4.218 6.335 1.00 0.00 C ATOM 893 CG ARG A 223 7.123 3.906 7.719 1.00 0.00 C ATOM 894 CD ARG A 223 8.410 3.090 7.660 1.00 0.00 C ATOM 895 NE ARG A 223 8.230 1.795 7.007 1.00 0.00 N ATOM 896 CZ ARG A 223 9.182 1.182 6.301 1.00 0.00 C ATOM 897 NH1 ARG A 223 10.352 1.776 6.091 1.00 0.00 N ATOM 898 NH2 ARG A 223 8.959 -0.026 5.798 1.00 0.00 N ATOM 0 H ARG A 223 5.914 5.024 4.068 1.00 0.00 H new ATOM 0 HA ARG A 223 6.874 6.326 6.345 1.00 0.00 H new ATOM 0 HB2 ARG A 223 5.480 4.320 6.407 1.00 0.00 H new ATOM 0 HB3 ARG A 223 6.761 3.373 5.676 1.00 0.00 H new ATOM 0 HG2 ARG A 223 7.313 4.839 8.249 1.00 0.00 H new ATOM 0 HG3 ARG A 223 6.376 3.359 8.294 1.00 0.00 H new ATOM 0 HD2 ARG A 223 9.171 3.659 7.126 1.00 0.00 H new ATOM 0 HD3 ARG A 223 8.782 2.933 8.672 1.00 0.00 H new ATOM 0 HE ARG A 223 7.325 1.333 7.096 1.00 0.00 H new ATOM 0 HH11 ARG A 223 10.527 2.706 6.470 1.00 0.00 H new ATOM 0 HH12 ARG A 223 11.075 1.301 5.550 1.00 0.00 H new ATOM 0 HH21 ARG A 223 8.061 -0.484 5.951 1.00 0.00 H new ATOM 0 HH22 ARG A 223 9.686 -0.496 5.258 1.00 0.00 H new ATOM 912 N GLU A 224 9.159 4.813 4.521 1.00 0.00 N ATOM 913 CA GLU A 224 10.602 4.778 4.328 1.00 0.00 C ATOM 914 C GLU A 224 11.160 6.186 4.184 1.00 0.00 C ATOM 915 O GLU A 224 12.138 6.547 4.838 1.00 0.00 O ATOM 916 CB GLU A 224 11.025 3.984 3.099 1.00 0.00 C ATOM 917 CG GLU A 224 12.510 3.701 3.145 1.00 0.00 C ATOM 918 CD GLU A 224 12.831 2.562 4.092 1.00 0.00 C ATOM 919 OE1 GLU A 224 12.301 1.451 3.894 1.00 0.00 O ATOM 920 OE2 GLU A 224 13.599 2.775 5.052 1.00 0.00 O ATOM 0 H GLU A 224 8.610 4.367 3.786 1.00 0.00 H new ATOM 0 HA GLU A 224 11.001 4.285 5.214 1.00 0.00 H new ATOM 0 HB2 GLU A 224 10.470 3.047 3.054 1.00 0.00 H new ATOM 0 HB3 GLU A 224 10.782 4.542 2.195 1.00 0.00 H new ATOM 0 HG2 GLU A 224 12.865 3.454 2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 224 13.043 4.598 3.460 1.00 0.00 H new ATOM 927 N SER A 225 10.541 6.979 3.327 1.00 0.00 N ATOM 928 CA SER A 225 11.050 8.308 3.048 1.00 0.00 C ATOM 929 C SER A 225 11.023 9.185 4.286 1.00 0.00 C ATOM 930 O SER A 225 11.920 9.997 4.481 1.00 0.00 O ATOM 931 CB SER A 225 10.274 8.960 1.903 1.00 0.00 C ATOM 932 OG SER A 225 8.877 8.949 2.138 1.00 0.00 O ATOM 0 H SER A 225 9.694 6.728 2.817 1.00 0.00 H new ATOM 0 HA SER A 225 12.090 8.204 2.740 1.00 0.00 H new ATOM 0 HB2 SER A 225 10.612 9.988 1.774 1.00 0.00 H new ATOM 0 HB3 SER A 225 10.490 8.435 0.973 1.00 0.00 H new ATOM 0 HG SER A 225 8.687 8.450 2.960 1.00 0.00 H new ATOM 938 N GLN A 226 9.996 9.043 5.111 1.00 0.00 N ATOM 939 CA GLN A 226 9.974 9.744 6.381 1.00 0.00 C ATOM 940 C GLN A 226 10.968 9.123 7.341 1.00 0.00 C ATOM 941 O GLN A 226 11.524 9.807 8.186 1.00 0.00 O ATOM 942 CB GLN A 226 8.581 9.757 7.010 1.00 0.00 C ATOM 943 CG GLN A 226 8.040 8.387 7.367 1.00 0.00 C ATOM 944 CD GLN A 226 8.064 8.087 8.858 1.00 0.00 C ATOM 945 OE1 GLN A 226 7.165 7.417 9.370 1.00 0.00 O ATOM 946 NE2 GLN A 226 9.112 8.515 9.554 1.00 0.00 N ATOM 0 H GLN A 226 9.181 8.458 4.926 1.00 0.00 H new ATOM 0 HA GLN A 226 10.255 10.778 6.182 1.00 0.00 H new ATOM 0 HB2 GLN A 226 8.609 10.369 7.912 1.00 0.00 H new ATOM 0 HB3 GLN A 226 7.889 10.238 6.319 1.00 0.00 H new ATOM 0 HG2 GLN A 226 7.015 8.306 7.006 1.00 0.00 H new ATOM 0 HG3 GLN A 226 8.623 7.629 6.844 1.00 0.00 H new ATOM 0 HE21 GLN A 226 9.837 9.068 9.096 1.00 0.00 H new ATOM 0 HE22 GLN A 226 9.191 8.291 10.546 1.00 0.00 H new ATOM 955 N ALA A 227 11.149 7.814 7.231 1.00 0.00 N ATOM 956 CA ALA A 227 12.030 7.084 8.125 1.00 0.00 C ATOM 957 C ALA A 227 13.411 7.718 8.174 1.00 0.00 C ATOM 958 O ALA A 227 13.924 8.026 9.250 1.00 0.00 O ATOM 959 CB ALA A 227 12.136 5.622 7.707 1.00 0.00 C ATOM 0 H ALA A 227 10.693 7.235 6.526 1.00 0.00 H new ATOM 0 HA ALA A 227 11.598 7.130 9.124 1.00 0.00 H new ATOM 0 HB1 ALA A 227 12.801 5.095 8.391 1.00 0.00 H new ATOM 0 HB2 ALA A 227 11.148 5.163 7.736 1.00 0.00 H new ATOM 0 HB3 ALA A 227 12.535 5.561 6.694 1.00 0.00 H new ATOM 965 N TYR A 228 14.028 7.910 7.016 1.00 0.00 N ATOM 966 CA TYR A 228 15.311 8.592 6.985 1.00 0.00 C ATOM 967 C TYR A 228 15.143 10.089 6.771 1.00 0.00 C ATOM 968 O TYR A 228 16.046 10.874 7.067 1.00 0.00 O ATOM 969 CB TYR A 228 16.242 7.990 5.928 1.00 0.00 C ATOM 970 CG TYR A 228 17.563 8.714 5.772 1.00 0.00 C ATOM 971 CD1 TYR A 228 18.599 8.520 6.677 1.00 0.00 C ATOM 972 CD2 TYR A 228 17.770 9.596 4.718 1.00 0.00 C ATOM 973 CE1 TYR A 228 19.803 9.186 6.535 1.00 0.00 C ATOM 974 CE2 TYR A 228 18.970 10.262 4.572 1.00 0.00 C ATOM 975 CZ TYR A 228 19.982 10.055 5.482 1.00 0.00 C ATOM 976 OH TYR A 228 21.176 10.724 5.338 1.00 0.00 O ATOM 0 H TYR A 228 13.671 7.611 6.108 1.00 0.00 H new ATOM 0 HA TYR A 228 15.775 8.445 7.960 1.00 0.00 H new ATOM 0 HB2 TYR A 228 16.440 6.950 6.186 1.00 0.00 H new ATOM 0 HB3 TYR A 228 15.727 7.988 4.967 1.00 0.00 H new ATOM 0 HD1 TYR A 228 18.462 7.839 7.504 1.00 0.00 H new ATOM 0 HD2 TYR A 228 16.979 9.763 4.002 1.00 0.00 H new ATOM 0 HE1 TYR A 228 20.599 9.025 7.247 1.00 0.00 H new ATOM 0 HE2 TYR A 228 19.115 10.943 3.747 1.00 0.00 H new ATOM 0 HH TYR A 228 21.137 11.296 4.543 1.00 0.00 H new ATOM 986 N TYR A 229 13.970 10.470 6.272 1.00 0.00 N ATOM 987 CA TYR A 229 13.684 11.846 5.892 1.00 0.00 C ATOM 988 C TYR A 229 14.514 12.236 4.667 1.00 0.00 C ATOM 989 O TYR A 229 15.414 13.069 4.762 1.00 0.00 O ATOM 990 CB TYR A 229 13.943 12.823 7.059 1.00 0.00 C ATOM 991 CG TYR A 229 13.083 12.572 8.284 1.00 0.00 C ATOM 992 CD1 TYR A 229 11.781 13.055 8.359 1.00 0.00 C ATOM 993 CD2 TYR A 229 13.578 11.855 9.368 1.00 0.00 C ATOM 994 CE1 TYR A 229 10.996 12.826 9.475 1.00 0.00 C ATOM 995 CE2 TYR A 229 12.799 11.622 10.488 1.00 0.00 C ATOM 996 CZ TYR A 229 11.511 12.109 10.537 1.00 0.00 C ATOM 997 OH TYR A 229 10.729 11.868 11.647 1.00 0.00 O ATOM 0 H TYR A 229 13.191 9.830 6.120 1.00 0.00 H new ATOM 0 HA TYR A 229 12.626 11.913 5.639 1.00 0.00 H new ATOM 0 HB2 TYR A 229 14.992 12.758 7.346 1.00 0.00 H new ATOM 0 HB3 TYR A 229 13.771 13.841 6.710 1.00 0.00 H new ATOM 0 HD1 TYR A 229 11.376 13.619 7.532 1.00 0.00 H new ATOM 0 HD2 TYR A 229 14.588 11.473 9.335 1.00 0.00 H new ATOM 0 HE1 TYR A 229 9.986 13.206 9.515 1.00 0.00 H new ATOM 0 HE2 TYR A 229 13.199 11.061 11.320 1.00 0.00 H new ATOM 0 HH TYR A 229 11.241 11.349 12.302 1.00 0.00 H new