USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 714 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 204 HIS : no HD1:sc= -2 K(o=-2.4,f=-3.7) USER MOD Set 1.2: A 208 THR OG1 : rot -129:sc= -0.355 USER MOD Set 2.1: A 185 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 188 THR OG1 : rot -15:sc= -0.375 USER MOD Set 2.3: A 189 HIS : no HD1:sc= 0 X(o=-0.38,f=-0.49) USER MOD Single : A 159 GLN : amide:sc= -0.236 K(o=-0.24,f=-2.3!) USER MOD Single : A 162 ASN : amide:sc= -2.74 K(o=-2.7,f=-3.6!) USER MOD Single : A 163 CYS SG : rot -65:sc= -2.48! USER MOD Single : A 165 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 167 MET CE :methyl 147:sc= -4.23! (180deg=-5.52!) USER MOD Single : A 173 HIS :FLIP no HD1:sc= -1.07 F(o=-2.8!,f=-1.1) USER MOD Single : A 174 SER OG : rot -56:sc= 0.00167 USER MOD Single : A 179 TYR OH : rot -172:sc= 0.458 USER MOD Single : A 180 THR OG1 : rot 98:sc= 1.26 USER MOD Single : A 183 LYS NZ :NH3+ 154:sc= 1.16 (180deg=0.936) USER MOD Single : A 184 HIS : no HE2:sc= -2.42 X(o=-2.4,f=-2.7!) USER MOD Single : A 187 LYS NZ :NH3+ -143:sc=-0.00224 (180deg=-0.0606) USER MOD Single : A 192 GLN :FLIP amide:sc= -0.0352 F(o=-0.8,f=-0.035) USER MOD Single : A 194 GLN : amide:sc= -1.63 K(o=-1.6,f=-3.5!) USER MOD Single : A 195 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 196 THR OG1 : rot -49:sc= 1.31 USER MOD Single : A 201 HIS : no HD1:sc= -0.0854 X(o=-0.085,f=0.01) USER MOD Single : A 212 SER OG : rot 180:sc= 0 USER MOD Single : A 217 CYS SG : rot 180:sc= 0 USER MOD Single : A 218 SER OG : rot 180:sc= -0.0298 USER MOD Single : A 219 GLN : amide:sc= -1.61 K(o=-1.6,f=-3.6!) USER MOD Single : A 220 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.016) USER MOD Single : A 222 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 230 ASN : amide:sc= -0.672 X(o=-0.67,f=-0.2) USER MOD Single : A 232 ASN : amide:sc= -0.116 K(o=-0.12,f=-1) USER MOD Single : A 233 LYS NZ :NH3+ -127:sc= -1.34 (180deg=-1.44) USER MOD Single : A 242 SER OG : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 76:sc= 0.0386 USER MOD Single : A 246 SER OG : rot 180:sc= 0 USER MOD Single : A 248 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.407) USER MOD ----------------------------------------------------------------- ATOM 82 N GLN A 159 -8.583 -10.466 2.398 1.00 0.00 N ATOM 83 CA GLN A 159 -7.632 -11.230 1.600 1.00 0.00 C ATOM 84 C GLN A 159 -6.763 -10.305 0.755 1.00 0.00 C ATOM 85 O GLN A 159 -7.250 -9.326 0.188 1.00 0.00 O ATOM 86 CB GLN A 159 -8.370 -12.221 0.698 1.00 0.00 C ATOM 87 CG GLN A 159 -8.924 -13.425 1.442 1.00 0.00 C ATOM 88 CD GLN A 159 -8.984 -14.669 0.578 1.00 0.00 C ATOM 89 OE1 GLN A 159 -8.401 -14.714 -0.506 1.00 0.00 O ATOM 90 NE2 GLN A 159 -9.692 -15.687 1.053 1.00 0.00 N ATOM 0 HA GLN A 159 -6.986 -11.782 2.282 1.00 0.00 H new ATOM 0 HB2 GLN A 159 -9.190 -11.704 0.199 1.00 0.00 H new ATOM 0 HB3 GLN A 159 -7.690 -12.567 -0.081 1.00 0.00 H new ATOM 0 HG2 GLN A 159 -8.304 -13.624 2.316 1.00 0.00 H new ATOM 0 HG3 GLN A 159 -9.924 -13.193 1.807 1.00 0.00 H new ATOM 0 HE21 GLN A 159 -10.159 -15.606 1.956 1.00 0.00 H new ATOM 0 HE22 GLN A 159 -9.769 -16.550 0.515 1.00 0.00 H new ATOM 99 N VAL A 160 -5.474 -10.620 0.674 1.00 0.00 N ATOM 100 CA VAL A 160 -4.538 -9.817 -0.102 1.00 0.00 C ATOM 101 C VAL A 160 -5.196 -9.274 -1.366 1.00 0.00 C ATOM 102 O VAL A 160 -4.924 -8.150 -1.786 1.00 0.00 O ATOM 103 CB VAL A 160 -3.291 -10.632 -0.496 1.00 0.00 C ATOM 104 CG1 VAL A 160 -3.685 -11.838 -1.336 1.00 0.00 C ATOM 105 CG2 VAL A 160 -2.295 -9.755 -1.240 1.00 0.00 C ATOM 0 H VAL A 160 -5.055 -11.426 1.137 1.00 0.00 H new ATOM 0 HA VAL A 160 -4.234 -8.985 0.533 1.00 0.00 H new ATOM 0 HB VAL A 160 -2.812 -10.994 0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -2.792 -12.402 -1.605 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -4.358 -12.476 -0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -4.188 -11.501 -2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -1.420 -10.347 -1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -2.761 -9.361 -2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -1.989 -8.928 -0.600 1.00 0.00 H new ATOM 115 N GLY A 161 -6.064 -10.081 -1.968 1.00 0.00 N ATOM 116 CA GLY A 161 -6.748 -9.664 -3.178 1.00 0.00 C ATOM 117 C GLY A 161 -7.791 -8.596 -2.915 1.00 0.00 C ATOM 118 O GLY A 161 -7.897 -7.625 -3.663 1.00 0.00 O ATOM 0 H GLY A 161 -6.306 -11.016 -1.639 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -6.017 -9.286 -3.893 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -7.226 -10.529 -3.638 1.00 0.00 H new ATOM 122 N ASN A 162 -8.565 -8.776 -1.850 1.00 0.00 N ATOM 123 CA ASN A 162 -9.608 -7.821 -1.492 1.00 0.00 C ATOM 124 C ASN A 162 -9.248 -7.080 -0.208 1.00 0.00 C ATOM 125 O ASN A 162 -10.127 -6.626 0.526 1.00 0.00 O ATOM 126 CB ASN A 162 -10.949 -8.538 -1.323 1.00 0.00 C ATOM 127 CG ASN A 162 -10.847 -9.748 -0.414 1.00 0.00 C ATOM 128 OD1 ASN A 162 -10.921 -10.888 -0.871 1.00 0.00 O ATOM 129 ND2 ASN A 162 -10.677 -9.503 0.880 1.00 0.00 N ATOM 0 H ASN A 162 -8.490 -9.574 -1.220 1.00 0.00 H new ATOM 0 HA ASN A 162 -9.693 -7.093 -2.299 1.00 0.00 H new ATOM 0 HB2 ASN A 162 -11.682 -7.841 -0.915 1.00 0.00 H new ATOM 0 HB3 ASN A 162 -11.316 -8.851 -2.300 1.00 0.00 H new ATOM 0 HD21 ASN A 162 -10.602 -10.277 1.540 1.00 0.00 H new ATOM 0 HD22 ASN A 162 -10.621 -8.541 1.214 1.00 0.00 H new ATOM 136 N CYS A 163 -7.952 -6.962 0.058 1.00 0.00 N ATOM 137 CA CYS A 163 -7.476 -6.276 1.254 1.00 0.00 C ATOM 138 C CYS A 163 -7.517 -4.763 1.066 1.00 0.00 C ATOM 139 O CYS A 163 -7.824 -4.019 1.998 1.00 0.00 O ATOM 140 CB CYS A 163 -6.052 -6.722 1.590 1.00 0.00 C ATOM 141 SG CYS A 163 -4.831 -6.308 0.322 1.00 0.00 S ATOM 0 H CYS A 163 -7.212 -7.332 -0.538 1.00 0.00 H new ATOM 0 HA CYS A 163 -8.136 -6.539 2.081 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -5.752 -6.263 2.532 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -6.048 -7.801 1.745 1.00 0.00 H new ATOM 0 HG CYS A 163 -5.097 -6.965 -0.768 1.00 0.00 H new ATOM 147 N LEU A 164 -7.205 -4.314 -0.145 1.00 0.00 N ATOM 148 CA LEU A 164 -7.205 -2.889 -0.456 1.00 0.00 C ATOM 149 C LEU A 164 -8.617 -2.316 -0.386 1.00 0.00 C ATOM 150 O LEU A 164 -8.880 -1.378 0.366 1.00 0.00 O ATOM 151 CB LEU A 164 -6.613 -2.650 -1.846 1.00 0.00 C ATOM 152 CG LEU A 164 -5.165 -3.101 -2.045 1.00 0.00 C ATOM 153 CD1 LEU A 164 -4.799 -3.080 -3.521 1.00 0.00 C ATOM 154 CD2 LEU A 164 -4.217 -2.219 -1.246 1.00 0.00 C ATOM 0 H LEU A 164 -6.949 -4.916 -0.927 1.00 0.00 H new ATOM 0 HA LEU A 164 -6.590 -2.380 0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 164 -7.236 -3.164 -2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 164 -6.674 -1.584 -2.067 1.00 0.00 H new ATOM 0 HG LEU A 164 -5.069 -4.124 -1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 164 -3.765 -3.404 -3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 164 -5.458 -3.754 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 164 -4.911 -2.068 -3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 164 -3.191 -2.555 -1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 164 -4.314 -1.186 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 164 -4.465 -2.284 -0.187 1.00 0.00 H new ATOM 166 N GLN A 165 -9.521 -2.888 -1.175 1.00 0.00 N ATOM 167 CA GLN A 165 -10.907 -2.434 -1.201 1.00 0.00 C ATOM 168 C GLN A 165 -11.462 -2.299 0.213 1.00 0.00 C ATOM 169 O GLN A 165 -12.046 -1.274 0.566 1.00 0.00 O ATOM 170 CB GLN A 165 -11.768 -3.407 -2.009 1.00 0.00 C ATOM 171 CG GLN A 165 -13.262 -3.190 -1.829 1.00 0.00 C ATOM 172 CD GLN A 165 -14.060 -3.574 -3.060 1.00 0.00 C ATOM 173 OE1 GLN A 165 -14.096 -4.741 -3.451 1.00 0.00 O ATOM 174 NE2 GLN A 165 -14.706 -2.592 -3.678 1.00 0.00 N ATOM 0 H GLN A 165 -9.319 -3.665 -1.804 1.00 0.00 H new ATOM 0 HA GLN A 165 -10.934 -1.454 -1.677 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -11.519 -3.308 -3.066 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -11.520 -4.427 -1.717 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -13.610 -3.775 -0.978 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -13.447 -2.142 -1.593 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -14.649 -1.639 -3.319 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -15.260 -2.791 -4.511 1.00 0.00 H new ATOM 183 N VAL A 166 -11.276 -3.340 1.019 1.00 0.00 N ATOM 184 CA VAL A 166 -11.758 -3.336 2.395 1.00 0.00 C ATOM 185 C VAL A 166 -11.159 -2.178 3.184 1.00 0.00 C ATOM 186 O VAL A 166 -11.852 -1.219 3.521 1.00 0.00 O ATOM 187 CB VAL A 166 -11.423 -4.659 3.110 1.00 0.00 C ATOM 188 CG1 VAL A 166 -11.883 -4.614 4.559 1.00 0.00 C ATOM 189 CG2 VAL A 166 -12.053 -5.834 2.378 1.00 0.00 C ATOM 0 H VAL A 166 -10.795 -4.196 0.743 1.00 0.00 H new ATOM 0 HA VAL A 166 -12.841 -3.219 2.351 1.00 0.00 H new ATOM 0 HB VAL A 166 -10.341 -4.793 3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -11.638 -5.557 5.048 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -11.380 -3.796 5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 166 -12.961 -4.457 4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -11.806 -6.760 2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -13.136 -5.709 2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -11.669 -5.876 1.359 1.00 0.00 H new ATOM 199 N MET A 167 -9.866 -2.275 3.475 1.00 0.00 N ATOM 200 CA MET A 167 -9.172 -1.233 4.224 1.00 0.00 C ATOM 201 C MET A 167 -9.555 0.152 3.713 1.00 0.00 C ATOM 202 O MET A 167 -9.782 1.072 4.498 1.00 0.00 O ATOM 203 CB MET A 167 -7.657 -1.426 4.123 1.00 0.00 C ATOM 204 CG MET A 167 -7.026 -0.678 2.960 1.00 0.00 C ATOM 205 SD MET A 167 -5.280 -1.075 2.745 1.00 0.00 S ATOM 206 CE MET A 167 -4.514 0.405 3.401 1.00 0.00 C ATOM 0 H MET A 167 -9.278 -3.063 3.204 1.00 0.00 H new ATOM 0 HA MET A 167 -9.473 -1.310 5.269 1.00 0.00 H new ATOM 0 HB2 MET A 167 -7.194 -1.094 5.052 1.00 0.00 H new ATOM 0 HB3 MET A 167 -7.440 -2.489 4.021 1.00 0.00 H new ATOM 0 HG2 MET A 167 -7.565 -0.918 2.043 1.00 0.00 H new ATOM 0 HG3 MET A 167 -7.134 0.395 3.122 1.00 0.00 H new ATOM 0 HE1 MET A 167 -3.569 0.145 3.879 1.00 0.00 H new ATOM 0 HE2 MET A 167 -4.329 1.109 2.590 1.00 0.00 H new ATOM 0 HE3 MET A 167 -5.177 0.863 4.135 1.00 0.00 H new ATOM 216 N TRP A 168 -9.625 0.292 2.394 1.00 0.00 N ATOM 217 CA TRP A 168 -9.981 1.565 1.779 1.00 0.00 C ATOM 218 C TRP A 168 -11.248 2.137 2.405 1.00 0.00 C ATOM 219 O TRP A 168 -11.220 3.201 3.026 1.00 0.00 O ATOM 220 CB TRP A 168 -10.177 1.390 0.272 1.00 0.00 C ATOM 221 CG TRP A 168 -10.030 2.667 -0.499 1.00 0.00 C ATOM 222 CD1 TRP A 168 -8.903 3.124 -1.121 1.00 0.00 C ATOM 223 CD2 TRP A 168 -11.044 3.651 -0.727 1.00 0.00 C ATOM 224 NE1 TRP A 168 -9.156 4.333 -1.722 1.00 0.00 N ATOM 225 CE2 TRP A 168 -10.462 4.678 -1.496 1.00 0.00 C ATOM 226 CE3 TRP A 168 -12.387 3.764 -0.359 1.00 0.00 C ATOM 227 CZ2 TRP A 168 -11.178 5.802 -1.900 1.00 0.00 C ATOM 228 CZ3 TRP A 168 -13.096 4.880 -0.760 1.00 0.00 C ATOM 229 CH2 TRP A 168 -12.492 5.887 -1.525 1.00 0.00 C ATOM 0 H TRP A 168 -9.440 -0.460 1.730 1.00 0.00 H new ATOM 0 HA TRP A 168 -9.164 2.265 1.954 1.00 0.00 H new ATOM 0 HB2 TRP A 168 -9.453 0.665 -0.099 1.00 0.00 H new ATOM 0 HB3 TRP A 168 -11.168 0.975 0.088 1.00 0.00 H new ATOM 0 HD1 TRP A 168 -7.953 2.610 -1.138 1.00 0.00 H new ATOM 0 HE1 TRP A 168 -8.480 4.885 -2.251 1.00 0.00 H new ATOM 0 HE3 TRP A 168 -12.863 2.993 0.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 168 -10.713 6.579 -2.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 168 -14.134 4.978 -0.479 1.00 0.00 H new ATOM 0 HH2 TRP A 168 -13.074 6.746 -1.824 1.00 0.00 H new ATOM 240 N LEU A 169 -12.358 1.426 2.239 1.00 0.00 N ATOM 241 CA LEU A 169 -13.636 1.864 2.789 1.00 0.00 C ATOM 242 C LEU A 169 -13.526 2.113 4.290 1.00 0.00 C ATOM 243 O LEU A 169 -13.897 3.178 4.782 1.00 0.00 O ATOM 244 CB LEU A 169 -14.718 0.819 2.512 1.00 0.00 C ATOM 245 CG LEU A 169 -15.454 0.952 1.178 1.00 0.00 C ATOM 246 CD1 LEU A 169 -14.620 0.368 0.048 1.00 0.00 C ATOM 247 CD2 LEU A 169 -16.813 0.271 1.249 1.00 0.00 C ATOM 0 H LEU A 169 -12.399 0.544 1.728 1.00 0.00 H new ATOM 0 HA LEU A 169 -13.911 2.800 2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 169 -14.260 -0.169 2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 169 -15.453 0.864 3.316 1.00 0.00 H new ATOM 0 HG LEU A 169 -15.611 2.011 0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 169 -15.160 0.471 -0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 169 -13.671 0.901 -0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 169 -14.431 -0.687 0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 169 -17.323 0.375 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 169 -16.679 -0.787 1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 169 -17.412 0.736 2.032 1.00 0.00 H new ATOM 259 N ALA A 170 -13.012 1.123 5.013 1.00 0.00 N ATOM 260 CA ALA A 170 -12.849 1.236 6.457 1.00 0.00 C ATOM 261 C ALA A 170 -12.290 2.602 6.841 1.00 0.00 C ATOM 262 O ALA A 170 -12.902 3.338 7.616 1.00 0.00 O ATOM 263 CB ALA A 170 -11.944 0.128 6.974 1.00 0.00 C ATOM 0 H ALA A 170 -12.701 0.234 4.622 1.00 0.00 H new ATOM 0 HA ALA A 170 -13.831 1.132 6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 170 -11.831 0.225 8.054 1.00 0.00 H new ATOM 0 HB2 ALA A 170 -12.385 -0.841 6.741 1.00 0.00 H new ATOM 0 HB3 ALA A 170 -10.966 0.205 6.499 1.00 0.00 H new ATOM 269 N ASP A 171 -11.125 2.934 6.296 1.00 0.00 N ATOM 270 CA ASP A 171 -10.484 4.212 6.581 1.00 0.00 C ATOM 271 C ASP A 171 -11.442 5.370 6.324 1.00 0.00 C ATOM 272 O ASP A 171 -11.528 6.306 7.120 1.00 0.00 O ATOM 273 CB ASP A 171 -9.225 4.376 5.728 1.00 0.00 C ATOM 274 CG ASP A 171 -8.550 5.716 5.945 1.00 0.00 C ATOM 275 OD1 ASP A 171 -8.192 6.020 7.103 1.00 0.00 O ATOM 276 OD2 ASP A 171 -8.378 6.461 4.957 1.00 0.00 O ATOM 0 H ASP A 171 -10.605 2.335 5.654 1.00 0.00 H new ATOM 0 HA ASP A 171 -10.204 4.223 7.634 1.00 0.00 H new ATOM 0 HB2 ASP A 171 -8.523 3.576 5.964 1.00 0.00 H new ATOM 0 HB3 ASP A 171 -9.487 4.270 4.675 1.00 0.00 H new ATOM 281 N ARG A 172 -12.159 5.302 5.207 1.00 0.00 N ATOM 282 CA ARG A 172 -13.110 6.346 4.844 1.00 0.00 C ATOM 283 C ARG A 172 -14.221 6.455 5.884 1.00 0.00 C ATOM 284 O ARG A 172 -14.746 7.540 6.135 1.00 0.00 O ATOM 285 CB ARG A 172 -13.711 6.061 3.467 1.00 0.00 C ATOM 286 CG ARG A 172 -12.678 5.984 2.355 1.00 0.00 C ATOM 287 CD ARG A 172 -11.971 7.316 2.159 1.00 0.00 C ATOM 288 NE ARG A 172 -12.880 8.353 1.679 1.00 0.00 N ATOM 289 CZ ARG A 172 -12.673 9.653 1.860 1.00 0.00 C ATOM 290 NH1 ARG A 172 -11.595 10.073 2.507 1.00 0.00 N ATOM 291 NH2 ARG A 172 -13.547 10.536 1.393 1.00 0.00 N ATOM 0 H ARG A 172 -12.099 4.535 4.538 1.00 0.00 H new ATOM 0 HA ARG A 172 -12.575 7.295 4.810 1.00 0.00 H new ATOM 0 HB2 ARG A 172 -14.260 5.120 3.507 1.00 0.00 H new ATOM 0 HB3 ARG A 172 -14.433 6.841 3.227 1.00 0.00 H new ATOM 0 HG2 ARG A 172 -11.945 5.213 2.591 1.00 0.00 H new ATOM 0 HG3 ARG A 172 -13.164 5.688 1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 172 -11.526 7.632 3.102 1.00 0.00 H new ATOM 0 HD3 ARG A 172 -11.155 7.192 1.447 1.00 0.00 H new ATOM 0 HE ARG A 172 -13.720 8.064 1.177 1.00 0.00 H new ATOM 0 HH11 ARG A 172 -10.921 9.398 2.868 1.00 0.00 H new ATOM 0 HH12 ARG A 172 -11.439 11.072 2.644 1.00 0.00 H new ATOM 0 HH21 ARG A 172 -14.378 10.217 0.895 1.00 0.00 H new ATOM 0 HH22 ARG A 172 -13.388 11.534 1.532 1.00 0.00 H new ATOM 305 N HIS A 173 -14.575 5.324 6.485 1.00 0.00 N ATOM 306 CA HIS A 173 -15.624 5.292 7.498 1.00 0.00 C ATOM 307 C HIS A 173 -15.024 5.261 8.901 1.00 0.00 C ATOM 308 O HIS A 173 -15.655 4.787 9.846 1.00 0.00 O ATOM 309 CB HIS A 173 -16.527 4.076 7.290 1.00 0.00 C ATOM 310 CG HIS A 173 -16.921 3.860 5.862 1.00 0.00 C ATOM 311 ND1 HIS A 173 -16.519 2.932 4.962 1.00 0.00 N flip ATOM 312 CD2 HIS A 173 -17.836 4.657 5.205 1.00 0.00 C flip ATOM 313 CE1 HIS A 173 -17.191 3.181 3.791 1.00 0.00 C flip ATOM 314 NE2 HIS A 173 -17.980 4.227 3.964 1.00 0.00 N flip ATOM 0 H HIS A 173 -14.151 4.417 6.288 1.00 0.00 H new ATOM 0 HA HIS A 173 -16.220 6.199 7.397 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -16.014 3.186 7.655 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -17.427 4.195 7.893 1.00 0.00 H new ATOM 0 HD2 HIS A 173 -18.354 5.500 5.638 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -17.091 2.614 2.877 1.00 0.00 H new ATOM 0 HE2 HIS A 173 -18.595 4.633 3.259 1.00 0.00 H new ATOM 322 N SER A 174 -13.803 5.769 9.028 1.00 0.00 N ATOM 323 CA SER A 174 -13.116 5.796 10.314 1.00 0.00 C ATOM 324 C SER A 174 -13.193 4.435 11.000 1.00 0.00 C ATOM 325 O SER A 174 -13.596 4.333 12.159 1.00 0.00 O ATOM 326 CB SER A 174 -13.723 6.870 11.219 1.00 0.00 C ATOM 327 OG SER A 174 -12.837 7.212 12.271 1.00 0.00 O ATOM 0 H SER A 174 -13.269 6.168 8.256 1.00 0.00 H new ATOM 0 HA SER A 174 -12.068 6.034 10.132 1.00 0.00 H new ATOM 0 HB2 SER A 174 -13.953 7.758 10.630 1.00 0.00 H new ATOM 0 HB3 SER A 174 -14.664 6.510 11.635 1.00 0.00 H new ATOM 0 HG SER A 174 -12.600 6.405 12.775 1.00 0.00 H new ATOM 333 N ASP A 175 -12.805 3.392 10.274 1.00 0.00 N ATOM 334 CA ASP A 175 -12.829 2.036 10.811 1.00 0.00 C ATOM 335 C ASP A 175 -11.414 1.532 11.078 1.00 0.00 C ATOM 336 O ASP A 175 -10.730 1.029 10.187 1.00 0.00 O ATOM 337 CB ASP A 175 -13.545 1.094 9.842 1.00 0.00 C ATOM 338 CG ASP A 175 -15.035 1.011 10.110 1.00 0.00 C ATOM 339 OD1 ASP A 175 -15.416 0.756 11.271 1.00 0.00 O ATOM 340 OD2 ASP A 175 -15.821 1.201 9.157 1.00 0.00 O ATOM 0 H ASP A 175 -12.470 3.459 9.313 1.00 0.00 H new ATOM 0 HA ASP A 175 -13.373 2.055 11.756 1.00 0.00 H new ATOM 0 HB2 ASP A 175 -13.381 1.436 8.820 1.00 0.00 H new ATOM 0 HB3 ASP A 175 -13.109 0.098 9.919 1.00 0.00 H new ATOM 345 N PRO A 176 -10.963 1.671 12.334 1.00 0.00 N ATOM 346 CA PRO A 176 -9.625 1.237 12.747 1.00 0.00 C ATOM 347 C PRO A 176 -9.488 -0.282 12.761 1.00 0.00 C ATOM 348 O PRO A 176 -8.510 -0.830 12.254 1.00 0.00 O ATOM 349 CB PRO A 176 -9.492 1.799 14.164 1.00 0.00 C ATOM 350 CG PRO A 176 -10.893 1.928 14.654 1.00 0.00 C ATOM 351 CD PRO A 176 -11.725 2.262 13.447 1.00 0.00 C ATOM 0 HA PRO A 176 -8.853 1.586 12.061 1.00 0.00 H new ATOM 0 HB2 PRO A 176 -8.910 1.133 14.801 1.00 0.00 H new ATOM 0 HB3 PRO A 176 -8.983 2.763 14.161 1.00 0.00 H new ATOM 0 HG2 PRO A 176 -11.231 1.001 15.117 1.00 0.00 H new ATOM 0 HG3 PRO A 176 -10.972 2.709 15.410 1.00 0.00 H new ATOM 0 HD2 PRO A 176 -12.726 1.837 13.519 1.00 0.00 H new ATOM 0 HD3 PRO A 176 -11.844 3.339 13.326 1.00 0.00 H new ATOM 359 N GLU A 177 -10.474 -0.956 13.344 1.00 0.00 N ATOM 360 CA GLU A 177 -10.461 -2.412 13.424 1.00 0.00 C ATOM 361 C GLU A 177 -10.167 -3.029 12.060 1.00 0.00 C ATOM 362 O GLU A 177 -9.159 -3.713 11.879 1.00 0.00 O ATOM 363 CB GLU A 177 -11.802 -2.928 13.951 1.00 0.00 C ATOM 364 CG GLU A 177 -12.029 -2.637 15.425 1.00 0.00 C ATOM 365 CD GLU A 177 -12.959 -3.640 16.080 1.00 0.00 C ATOM 366 OE1 GLU A 177 -14.111 -3.770 15.618 1.00 0.00 O ATOM 367 OE2 GLU A 177 -12.534 -4.294 17.056 1.00 0.00 O ATOM 0 H GLU A 177 -11.292 -0.517 13.768 1.00 0.00 H new ATOM 0 HA GLU A 177 -9.670 -2.705 14.114 1.00 0.00 H new ATOM 0 HB2 GLU A 177 -12.608 -2.477 13.372 1.00 0.00 H new ATOM 0 HB3 GLU A 177 -11.857 -4.005 13.789 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -11.071 -2.642 15.945 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -12.445 -1.636 15.534 1.00 0.00 H new ATOM 374 N LEU A 178 -11.054 -2.782 11.102 1.00 0.00 N ATOM 375 CA LEU A 178 -10.891 -3.313 9.753 1.00 0.00 C ATOM 376 C LEU A 178 -9.687 -2.682 9.061 1.00 0.00 C ATOM 377 O LEU A 178 -8.697 -3.357 8.778 1.00 0.00 O ATOM 378 CB LEU A 178 -12.156 -3.064 8.929 1.00 0.00 C ATOM 379 CG LEU A 178 -12.282 -3.866 7.633 1.00 0.00 C ATOM 380 CD1 LEU A 178 -12.243 -5.358 7.923 1.00 0.00 C ATOM 381 CD2 LEU A 178 -13.563 -3.496 6.900 1.00 0.00 C ATOM 0 H LEU A 178 -11.893 -2.218 11.234 1.00 0.00 H new ATOM 0 HA LEU A 178 -10.721 -4.387 9.830 1.00 0.00 H new ATOM 0 HB2 LEU A 178 -13.022 -3.283 9.554 1.00 0.00 H new ATOM 0 HB3 LEU A 178 -12.202 -2.003 8.682 1.00 0.00 H new ATOM 0 HG LEU A 178 -11.436 -3.620 6.991 1.00 0.00 H new ATOM 0 HD11 LEU A 178 -12.334 -5.913 6.989 1.00 0.00 H new ATOM 0 HD12 LEU A 178 -11.298 -5.610 8.404 1.00 0.00 H new ATOM 0 HD13 LEU A 178 -13.069 -5.622 8.584 1.00 0.00 H new ATOM 0 HD21 LEU A 178 -13.636 -4.076 5.980 1.00 0.00 H new ATOM 0 HD22 LEU A 178 -14.422 -3.713 7.535 1.00 0.00 H new ATOM 0 HD23 LEU A 178 -13.550 -2.433 6.659 1.00 0.00 H new ATOM 393 N TYR A 179 -9.778 -1.385 8.794 1.00 0.00 N ATOM 394 CA TYR A 179 -8.696 -0.662 8.135 1.00 0.00 C ATOM 395 C TYR A 179 -7.337 -1.206 8.565 1.00 0.00 C ATOM 396 O TYR A 179 -6.514 -1.585 7.732 1.00 0.00 O ATOM 397 CB TYR A 179 -8.785 0.831 8.453 1.00 0.00 C ATOM 398 CG TYR A 179 -7.795 1.674 7.681 1.00 0.00 C ATOM 399 CD1 TYR A 179 -7.558 1.441 6.332 1.00 0.00 C ATOM 400 CD2 TYR A 179 -7.096 2.703 8.301 1.00 0.00 C ATOM 401 CE1 TYR A 179 -6.654 2.208 5.622 1.00 0.00 C ATOM 402 CE2 TYR A 179 -6.191 3.476 7.599 1.00 0.00 C ATOM 403 CZ TYR A 179 -5.974 3.225 6.260 1.00 0.00 C ATOM 404 OH TYR A 179 -5.072 3.991 5.558 1.00 0.00 O ATOM 0 H TYR A 179 -10.590 -0.812 9.023 1.00 0.00 H new ATOM 0 HA TYR A 179 -8.800 -0.804 7.059 1.00 0.00 H new ATOM 0 HB2 TYR A 179 -9.794 1.181 8.236 1.00 0.00 H new ATOM 0 HB3 TYR A 179 -8.620 0.977 9.520 1.00 0.00 H new ATOM 0 HD1 TYR A 179 -8.090 0.647 5.829 1.00 0.00 H new ATOM 0 HD2 TYR A 179 -7.263 2.902 9.349 1.00 0.00 H new ATOM 0 HE1 TYR A 179 -6.481 2.013 4.574 1.00 0.00 H new ATOM 0 HE2 TYR A 179 -5.657 4.272 8.096 1.00 0.00 H new ATOM 0 HH TYR A 179 -4.589 4.578 6.177 1.00 0.00 H new ATOM 414 N THR A 180 -7.109 -1.241 9.875 1.00 0.00 N ATOM 415 CA THR A 180 -5.851 -1.737 10.418 1.00 0.00 C ATOM 416 C THR A 180 -5.583 -3.168 9.966 1.00 0.00 C ATOM 417 O THR A 180 -4.494 -3.484 9.487 1.00 0.00 O ATOM 418 CB THR A 180 -5.845 -1.688 11.957 1.00 0.00 C ATOM 419 OG1 THR A 180 -6.040 -0.342 12.405 1.00 0.00 O ATOM 420 CG2 THR A 180 -4.535 -2.227 12.511 1.00 0.00 C ATOM 0 H THR A 180 -7.779 -0.932 10.579 1.00 0.00 H new ATOM 0 HA THR A 180 -5.064 -1.085 10.038 1.00 0.00 H new ATOM 0 HB THR A 180 -6.660 -2.314 12.321 1.00 0.00 H new ATOM 0 HG1 THR A 180 -6.982 -0.208 12.638 1.00 0.00 H new ATOM 0 HG21 THR A 180 -4.555 -2.182 13.600 1.00 0.00 H new ATOM 0 HG22 THR A 180 -4.403 -3.261 12.193 1.00 0.00 H new ATOM 0 HG23 THR A 180 -3.707 -1.624 12.138 1.00 0.00 H new ATOM 428 N ALA A 181 -6.583 -4.030 10.119 1.00 0.00 N ATOM 429 CA ALA A 181 -6.456 -5.427 9.724 1.00 0.00 C ATOM 430 C ALA A 181 -6.064 -5.548 8.255 1.00 0.00 C ATOM 431 O ALA A 181 -4.956 -5.975 7.932 1.00 0.00 O ATOM 432 CB ALA A 181 -7.756 -6.171 9.989 1.00 0.00 C ATOM 0 H ALA A 181 -7.491 -3.785 10.514 1.00 0.00 H new ATOM 0 HA ALA A 181 -5.665 -5.878 10.323 1.00 0.00 H new ATOM 0 HB1 ALA A 181 -7.646 -7.213 9.689 1.00 0.00 H new ATOM 0 HB2 ALA A 181 -7.993 -6.122 11.052 1.00 0.00 H new ATOM 0 HB3 ALA A 181 -8.561 -5.711 9.416 1.00 0.00 H new ATOM 438 N ALA A 182 -6.980 -5.171 7.370 1.00 0.00 N ATOM 439 CA ALA A 182 -6.730 -5.237 5.936 1.00 0.00 C ATOM 440 C ALA A 182 -5.425 -4.534 5.574 1.00 0.00 C ATOM 441 O ALA A 182 -4.597 -5.078 4.843 1.00 0.00 O ATOM 442 CB ALA A 182 -7.892 -4.624 5.168 1.00 0.00 C ATOM 0 H ALA A 182 -7.903 -4.816 7.621 1.00 0.00 H new ATOM 0 HA ALA A 182 -6.638 -6.286 5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 182 -7.691 -4.680 4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 182 -8.807 -5.171 5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 182 -8.011 -3.581 5.460 1.00 0.00 H new ATOM 448 N LYS A 183 -5.249 -3.322 6.089 1.00 0.00 N ATOM 449 CA LYS A 183 -4.046 -2.544 5.821 1.00 0.00 C ATOM 450 C LYS A 183 -2.792 -3.380 6.061 1.00 0.00 C ATOM 451 O LYS A 183 -1.925 -3.480 5.193 1.00 0.00 O ATOM 452 CB LYS A 183 -4.015 -1.294 6.703 1.00 0.00 C ATOM 453 CG LYS A 183 -2.805 -0.408 6.460 1.00 0.00 C ATOM 454 CD LYS A 183 -3.081 1.034 6.853 1.00 0.00 C ATOM 455 CE LYS A 183 -3.074 1.211 8.364 1.00 0.00 C ATOM 456 NZ LYS A 183 -3.727 2.484 8.776 1.00 0.00 N ATOM 0 H LYS A 183 -5.925 -2.857 6.695 1.00 0.00 H new ATOM 0 HA LYS A 183 -4.065 -2.242 4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -4.921 -0.714 6.528 1.00 0.00 H new ATOM 0 HB3 LYS A 183 -4.028 -1.598 7.750 1.00 0.00 H new ATOM 0 HG2 LYS A 183 -1.956 -0.785 7.030 1.00 0.00 H new ATOM 0 HG3 LYS A 183 -2.526 -0.452 5.407 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -2.329 1.684 6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 183 -4.047 1.342 6.454 1.00 0.00 H new ATOM 0 HE2 LYS A 183 -3.589 0.371 8.830 1.00 0.00 H new ATOM 0 HE3 LYS A 183 -2.046 1.196 8.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -4.098 2.387 9.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -3.031 3.256 8.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 -4.509 2.700 8.125 1.00 0.00 H new ATOM 470 N HIS A 184 -2.705 -3.980 7.244 1.00 0.00 N ATOM 471 CA HIS A 184 -1.559 -4.809 7.598 1.00 0.00 C ATOM 472 C HIS A 184 -1.327 -5.892 6.548 1.00 0.00 C ATOM 473 O HIS A 184 -0.200 -6.105 6.100 1.00 0.00 O ATOM 474 CB HIS A 184 -1.769 -5.450 8.970 1.00 0.00 C ATOM 475 CG HIS A 184 -1.668 -4.479 10.106 1.00 0.00 C ATOM 476 ND1 HIS A 184 -1.313 -4.852 11.385 1.00 0.00 N ATOM 477 CD2 HIS A 184 -1.876 -3.142 10.149 1.00 0.00 C ATOM 478 CE1 HIS A 184 -1.309 -3.787 12.167 1.00 0.00 C ATOM 479 NE2 HIS A 184 -1.647 -2.736 11.441 1.00 0.00 N ATOM 0 H HIS A 184 -3.414 -3.907 7.973 1.00 0.00 H new ATOM 0 HA HIS A 184 -0.678 -4.169 7.636 1.00 0.00 H new ATOM 0 HB2 HIS A 184 -2.750 -5.924 8.994 1.00 0.00 H new ATOM 0 HB3 HIS A 184 -1.030 -6.239 9.110 1.00 0.00 H new ATOM 0 HD1 HIS A 184 -1.089 -5.802 11.681 1.00 0.00 H new ATOM 0 HD2 HIS A 184 -2.168 -2.512 9.322 1.00 0.00 H new ATOM 0 HE1 HIS A 184 -1.070 -3.777 13.220 1.00 0.00 H new ATOM 487 N CYS A 185 -2.400 -6.573 6.161 1.00 0.00 N ATOM 488 CA CYS A 185 -2.313 -7.635 5.165 1.00 0.00 C ATOM 489 C CYS A 185 -1.755 -7.102 3.850 1.00 0.00 C ATOM 490 O CYS A 185 -1.128 -7.837 3.087 1.00 0.00 O ATOM 491 CB CYS A 185 -3.690 -8.259 4.933 1.00 0.00 C ATOM 492 SG CYS A 185 -3.639 -9.998 4.442 1.00 0.00 S ATOM 0 H CYS A 185 -3.340 -6.409 6.522 1.00 0.00 H new ATOM 0 HA CYS A 185 -1.635 -8.400 5.543 1.00 0.00 H new ATOM 0 HB2 CYS A 185 -4.277 -8.168 5.847 1.00 0.00 H new ATOM 0 HB3 CYS A 185 -4.210 -7.690 4.162 1.00 0.00 H new ATOM 0 HG CYS A 185 -4.851 -10.436 4.271 1.00 0.00 H new ATOM 498 N ALA A 186 -1.988 -5.820 3.590 1.00 0.00 N ATOM 499 CA ALA A 186 -1.507 -5.189 2.367 1.00 0.00 C ATOM 500 C ALA A 186 0.010 -5.036 2.387 1.00 0.00 C ATOM 501 O ALA A 186 0.707 -5.540 1.507 1.00 0.00 O ATOM 502 CB ALA A 186 -2.174 -3.835 2.175 1.00 0.00 C ATOM 0 H ALA A 186 -2.507 -5.198 4.210 1.00 0.00 H new ATOM 0 HA ALA A 186 -1.769 -5.833 1.528 1.00 0.00 H new ATOM 0 HB1 ALA A 186 -1.806 -3.375 1.258 1.00 0.00 H new ATOM 0 HB2 ALA A 186 -3.254 -3.968 2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 186 -1.941 -3.191 3.023 1.00 0.00 H new ATOM 508 N LYS A 187 0.516 -4.336 3.397 1.00 0.00 N ATOM 509 CA LYS A 187 1.950 -4.116 3.533 1.00 0.00 C ATOM 510 C LYS A 187 2.712 -5.436 3.463 1.00 0.00 C ATOM 511 O LYS A 187 3.806 -5.505 2.901 1.00 0.00 O ATOM 512 CB LYS A 187 2.256 -3.408 4.855 1.00 0.00 C ATOM 513 CG LYS A 187 1.818 -4.191 6.080 1.00 0.00 C ATOM 514 CD LYS A 187 2.463 -3.654 7.346 1.00 0.00 C ATOM 515 CE LYS A 187 2.655 -4.750 8.383 1.00 0.00 C ATOM 516 NZ LYS A 187 3.776 -5.662 8.025 1.00 0.00 N ATOM 0 H LYS A 187 -0.047 -3.911 4.134 1.00 0.00 H new ATOM 0 HA LYS A 187 2.275 -3.484 2.706 1.00 0.00 H new ATOM 0 HB2 LYS A 187 3.328 -3.221 4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 187 1.762 -2.436 4.860 1.00 0.00 H new ATOM 0 HG2 LYS A 187 0.733 -4.143 6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 187 2.081 -5.241 5.954 1.00 0.00 H new ATOM 0 HD2 LYS A 187 3.428 -3.209 7.103 1.00 0.00 H new ATOM 0 HD3 LYS A 187 1.842 -2.861 7.764 1.00 0.00 H new ATOM 0 HE2 LYS A 187 2.850 -4.299 9.356 1.00 0.00 H new ATOM 0 HE3 LYS A 187 1.734 -5.326 8.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 187 3.532 -6.636 8.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 187 3.944 -5.620 6.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 187 4.637 -5.368 8.529 1.00 0.00 H new ATOM 530 N THR A 188 2.127 -6.483 4.036 1.00 0.00 N ATOM 531 CA THR A 188 2.750 -7.800 4.039 1.00 0.00 C ATOM 532 C THR A 188 2.847 -8.365 2.627 1.00 0.00 C ATOM 533 O THR A 188 3.906 -8.831 2.205 1.00 0.00 O ATOM 534 CB THR A 188 1.967 -8.790 4.923 1.00 0.00 C ATOM 535 OG1 THR A 188 0.596 -8.835 4.512 1.00 0.00 O ATOM 536 CG2 THR A 188 2.050 -8.389 6.388 1.00 0.00 C ATOM 0 H THR A 188 1.222 -6.444 4.504 1.00 0.00 H new ATOM 0 HA THR A 188 3.753 -7.674 4.447 1.00 0.00 H new ATOM 0 HB THR A 188 2.413 -9.778 4.807 1.00 0.00 H new ATOM 0 HG1 THR A 188 0.401 -8.064 3.939 1.00 0.00 H new ATOM 0 HG21 THR A 188 1.490 -9.102 6.993 1.00 0.00 H new ATOM 0 HG22 THR A 188 3.093 -8.384 6.705 1.00 0.00 H new ATOM 0 HG23 THR A 188 1.627 -7.393 6.517 1.00 0.00 H new ATOM 544 N HIS A 189 1.736 -8.320 1.898 1.00 0.00 N ATOM 545 CA HIS A 189 1.697 -8.827 0.531 1.00 0.00 C ATOM 546 C HIS A 189 1.492 -7.689 -0.464 1.00 0.00 C ATOM 547 O HIS A 189 0.675 -7.791 -1.380 1.00 0.00 O ATOM 548 CB HIS A 189 0.581 -9.860 0.379 1.00 0.00 C ATOM 549 CG HIS A 189 0.696 -11.011 1.331 1.00 0.00 C ATOM 550 ND1 HIS A 189 1.679 -11.973 1.234 1.00 0.00 N ATOM 551 CD2 HIS A 189 -0.055 -11.350 2.405 1.00 0.00 C ATOM 552 CE1 HIS A 189 1.527 -12.854 2.206 1.00 0.00 C ATOM 553 NE2 HIS A 189 0.482 -12.499 2.931 1.00 0.00 N ATOM 0 H HIS A 189 0.851 -7.938 2.231 1.00 0.00 H new ATOM 0 HA HIS A 189 2.654 -9.304 0.319 1.00 0.00 H new ATOM 0 HB2 HIS A 189 -0.380 -9.369 0.530 1.00 0.00 H new ATOM 0 HB3 HIS A 189 0.587 -10.242 -0.642 1.00 0.00 H new ATOM 0 HD2 HIS A 189 -0.916 -10.816 2.779 1.00 0.00 H new ATOM 0 HE1 HIS A 189 2.151 -13.718 2.379 1.00 0.00 H new ATOM 0 HE2 HIS A 189 0.131 -12.997 3.749 1.00 0.00 H new ATOM 561 N LEU A 190 2.238 -6.606 -0.279 1.00 0.00 N ATOM 562 CA LEU A 190 2.138 -5.448 -1.160 1.00 0.00 C ATOM 563 C LEU A 190 2.283 -5.861 -2.621 1.00 0.00 C ATOM 564 O LEU A 190 1.468 -5.490 -3.466 1.00 0.00 O ATOM 565 CB LEU A 190 3.208 -4.415 -0.802 1.00 0.00 C ATOM 566 CG LEU A 190 2.861 -2.957 -1.102 1.00 0.00 C ATOM 567 CD1 LEU A 190 3.929 -2.028 -0.545 1.00 0.00 C ATOM 568 CD2 LEU A 190 2.695 -2.744 -2.599 1.00 0.00 C ATOM 0 H LEU A 190 2.919 -6.505 0.474 1.00 0.00 H new ATOM 0 HA LEU A 190 1.152 -5.003 -1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 190 3.428 -4.504 0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 190 4.122 -4.668 -1.339 1.00 0.00 H new ATOM 0 HG LEU A 190 1.914 -2.722 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 190 3.665 -0.994 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 190 3.999 -2.160 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 190 4.890 -2.263 -1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 190 2.448 -1.700 -2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 190 3.625 -2.998 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 190 1.893 -3.381 -2.970 1.00 0.00 H new ATOM 580 N ALA A 191 3.324 -6.634 -2.912 1.00 0.00 N ATOM 581 CA ALA A 191 3.573 -7.101 -4.270 1.00 0.00 C ATOM 582 C ALA A 191 2.290 -7.606 -4.921 1.00 0.00 C ATOM 583 O ALA A 191 1.859 -7.085 -5.949 1.00 0.00 O ATOM 584 CB ALA A 191 4.631 -8.195 -4.265 1.00 0.00 C ATOM 0 H ALA A 191 4.009 -6.950 -2.225 1.00 0.00 H new ATOM 0 HA ALA A 191 3.939 -6.258 -4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 191 4.808 -8.535 -5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 191 5.558 -7.802 -3.848 1.00 0.00 H new ATOM 0 HB3 ALA A 191 4.286 -9.032 -3.658 1.00 0.00 H new ATOM 590 N GLN A 192 1.685 -8.623 -4.315 1.00 0.00 N ATOM 591 CA GLN A 192 0.451 -9.198 -4.838 1.00 0.00 C ATOM 592 C GLN A 192 -0.541 -8.104 -5.218 1.00 0.00 C ATOM 593 O GLN A 192 -1.446 -8.325 -6.024 1.00 0.00 O ATOM 594 CB GLN A 192 -0.176 -10.136 -3.805 1.00 0.00 C ATOM 595 CG GLN A 192 0.519 -11.485 -3.707 1.00 0.00 C ATOM 596 CD GLN A 192 -0.369 -12.556 -3.103 1.00 0.00 C ATOM 597 OE1 GLN A 192 -0.307 -12.703 -1.785 1.00 0.00 O flip ATOM 598 NE2 GLN A 192 -1.102 -13.244 -3.814 1.00 0.00 N flip ATOM 0 H GLN A 192 2.029 -9.065 -3.463 1.00 0.00 H new ATOM 0 HA GLN A 192 0.696 -9.768 -5.735 1.00 0.00 H new ATOM 0 HB2 GLN A 192 -0.154 -9.654 -2.828 1.00 0.00 H new ATOM 0 HB3 GLN A 192 -1.224 -10.294 -4.059 1.00 0.00 H new ATOM 0 HG2 GLN A 192 0.836 -11.799 -4.701 1.00 0.00 H new ATOM 0 HG3 GLN A 192 1.420 -11.382 -3.103 1.00 0.00 H new ATOM 0 HE21 GLN A 192 -1.118 -13.097 -4.823 1.00 0.00 H new ATOM 0 HE22 GLN A 192 -1.693 -13.961 -3.394 1.00 0.00 H new ATOM 607 N LEU A 193 -0.366 -6.925 -4.633 1.00 0.00 N ATOM 608 CA LEU A 193 -1.247 -5.795 -4.910 1.00 0.00 C ATOM 609 C LEU A 193 -0.668 -4.910 -6.009 1.00 0.00 C ATOM 610 O LEU A 193 -1.380 -4.493 -6.922 1.00 0.00 O ATOM 611 CB LEU A 193 -1.468 -4.972 -3.639 1.00 0.00 C ATOM 612 CG LEU A 193 -1.624 -5.768 -2.343 1.00 0.00 C ATOM 613 CD1 LEU A 193 -1.401 -4.869 -1.136 1.00 0.00 C ATOM 614 CD2 LEU A 193 -2.997 -6.420 -2.278 1.00 0.00 C ATOM 0 H LEU A 193 0.378 -6.726 -3.964 1.00 0.00 H new ATOM 0 HA LEU A 193 -2.205 -6.187 -5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -0.628 -4.288 -3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -2.360 -4.361 -3.776 1.00 0.00 H new ATOM 0 HG LEU A 193 -0.870 -6.555 -2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -1.516 -5.452 -0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -0.396 -4.450 -1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -2.132 -4.060 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -3.089 -6.982 -1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -3.768 -5.650 -2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 193 -3.119 -7.096 -3.124 1.00 0.00 H new ATOM 626 N GLN A 194 0.628 -4.629 -5.914 1.00 0.00 N ATOM 627 CA GLN A 194 1.302 -3.795 -6.901 1.00 0.00 C ATOM 628 C GLN A 194 1.087 -4.337 -8.310 1.00 0.00 C ATOM 629 O GLN A 194 1.169 -3.597 -9.290 1.00 0.00 O ATOM 630 CB GLN A 194 2.799 -3.714 -6.595 1.00 0.00 C ATOM 631 CG GLN A 194 3.619 -4.794 -7.283 1.00 0.00 C ATOM 632 CD GLN A 194 5.111 -4.602 -7.096 1.00 0.00 C ATOM 633 OE1 GLN A 194 5.866 -4.533 -8.066 1.00 0.00 O ATOM 634 NE2 GLN A 194 5.544 -4.513 -5.844 1.00 0.00 N ATOM 0 H GLN A 194 1.231 -4.967 -5.164 1.00 0.00 H new ATOM 0 HA GLN A 194 0.873 -2.794 -6.847 1.00 0.00 H new ATOM 0 HB2 GLN A 194 3.172 -2.736 -6.901 1.00 0.00 H new ATOM 0 HB3 GLN A 194 2.946 -3.789 -5.518 1.00 0.00 H new ATOM 0 HG2 GLN A 194 3.330 -5.769 -6.891 1.00 0.00 H new ATOM 0 HG3 GLN A 194 3.388 -4.797 -8.348 1.00 0.00 H new ATOM 0 HE21 GLN A 194 4.883 -4.575 -5.070 1.00 0.00 H new ATOM 0 HE22 GLN A 194 6.538 -4.382 -5.656 1.00 0.00 H new ATOM 643 N ASN A 195 0.812 -5.634 -8.404 1.00 0.00 N ATOM 644 CA ASN A 195 0.586 -6.276 -9.694 1.00 0.00 C ATOM 645 C ASN A 195 -0.853 -6.075 -10.157 1.00 0.00 C ATOM 646 O ASN A 195 -1.161 -6.205 -11.342 1.00 0.00 O ATOM 647 CB ASN A 195 0.902 -7.770 -9.606 1.00 0.00 C ATOM 648 CG ASN A 195 0.964 -8.430 -10.970 1.00 0.00 C ATOM 649 OD1 ASN A 195 0.072 -9.192 -11.344 1.00 0.00 O ATOM 650 ND2 ASN A 195 2.020 -8.139 -11.720 1.00 0.00 N ATOM 0 H ASN A 195 0.740 -6.261 -7.603 1.00 0.00 H new ATOM 0 HA ASN A 195 1.251 -5.814 -10.423 1.00 0.00 H new ATOM 0 HB2 ASN A 195 1.855 -7.907 -9.095 1.00 0.00 H new ATOM 0 HB3 ASN A 195 0.142 -8.264 -9.001 1.00 0.00 H new ATOM 0 HD21 ASN A 195 2.116 -8.552 -12.647 1.00 0.00 H new ATOM 0 HD22 ASN A 195 2.735 -7.502 -11.369 1.00 0.00 H new ATOM 657 N THR A 196 -1.734 -5.757 -9.213 1.00 0.00 N ATOM 658 CA THR A 196 -3.141 -5.539 -9.523 1.00 0.00 C ATOM 659 C THR A 196 -3.404 -4.084 -9.892 1.00 0.00 C ATOM 660 O THR A 196 -2.633 -3.194 -9.532 1.00 0.00 O ATOM 661 CB THR A 196 -4.044 -5.927 -8.337 1.00 0.00 C ATOM 662 OG1 THR A 196 -3.946 -4.940 -7.304 1.00 0.00 O ATOM 663 CG2 THR A 196 -3.655 -7.289 -7.782 1.00 0.00 C ATOM 0 H THR A 196 -1.497 -5.645 -8.227 1.00 0.00 H new ATOM 0 HA THR A 196 -3.379 -6.176 -10.375 1.00 0.00 H new ATOM 0 HB THR A 196 -5.073 -5.979 -8.694 1.00 0.00 H new ATOM 0 HG1 THR A 196 -3.002 -4.755 -7.117 1.00 0.00 H new ATOM 0 HG21 THR A 196 -4.307 -7.541 -6.946 1.00 0.00 H new ATOM 0 HG22 THR A 196 -3.758 -8.043 -8.562 1.00 0.00 H new ATOM 0 HG23 THR A 196 -2.620 -7.261 -7.440 1.00 0.00 H new ATOM 671 N GLU A 197 -4.496 -3.848 -10.612 1.00 0.00 N ATOM 672 CA GLU A 197 -4.859 -2.499 -11.030 1.00 0.00 C ATOM 673 C GLU A 197 -5.317 -1.665 -9.837 1.00 0.00 C ATOM 674 O GLU A 197 -4.782 -0.588 -9.578 1.00 0.00 O ATOM 675 CB GLU A 197 -5.965 -2.548 -12.086 1.00 0.00 C ATOM 676 CG GLU A 197 -5.603 -3.376 -13.308 1.00 0.00 C ATOM 677 CD GLU A 197 -5.996 -4.834 -13.162 1.00 0.00 C ATOM 678 OE1 GLU A 197 -7.145 -5.101 -12.756 1.00 0.00 O ATOM 679 OE2 GLU A 197 -5.152 -5.707 -13.455 1.00 0.00 O ATOM 0 H GLU A 197 -5.145 -4.573 -10.918 1.00 0.00 H new ATOM 0 HA GLU A 197 -3.975 -2.030 -11.462 1.00 0.00 H new ATOM 0 HB2 GLU A 197 -6.869 -2.957 -11.635 1.00 0.00 H new ATOM 0 HB3 GLU A 197 -6.199 -1.532 -12.402 1.00 0.00 H new ATOM 0 HG2 GLU A 197 -6.096 -2.957 -14.185 1.00 0.00 H new ATOM 0 HG3 GLU A 197 -4.529 -3.309 -13.483 1.00 0.00 H new ATOM 686 N GLU A 198 -6.312 -2.171 -9.114 1.00 0.00 N ATOM 687 CA GLU A 198 -6.842 -1.472 -7.950 1.00 0.00 C ATOM 688 C GLU A 198 -5.735 -0.724 -7.213 1.00 0.00 C ATOM 689 O GLU A 198 -5.764 0.502 -7.107 1.00 0.00 O ATOM 690 CB GLU A 198 -7.524 -2.460 -7.001 1.00 0.00 C ATOM 691 CG GLU A 198 -9.002 -2.661 -7.290 1.00 0.00 C ATOM 692 CD GLU A 198 -9.251 -3.282 -8.651 1.00 0.00 C ATOM 693 OE1 GLU A 198 -8.989 -4.494 -8.807 1.00 0.00 O ATOM 694 OE2 GLU A 198 -9.706 -2.558 -9.560 1.00 0.00 O ATOM 0 H GLU A 198 -6.766 -3.062 -9.314 1.00 0.00 H new ATOM 0 HA GLU A 198 -7.577 -0.746 -8.298 1.00 0.00 H new ATOM 0 HB2 GLU A 198 -7.016 -3.422 -7.065 1.00 0.00 H new ATOM 0 HB3 GLU A 198 -7.408 -2.106 -5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 198 -9.436 -3.298 -6.519 1.00 0.00 H new ATOM 0 HG3 GLU A 198 -9.513 -1.700 -7.234 1.00 0.00 H new ATOM 701 N PHE A 199 -4.760 -1.471 -6.706 1.00 0.00 N ATOM 702 CA PHE A 199 -3.644 -0.880 -5.977 1.00 0.00 C ATOM 703 C PHE A 199 -3.158 0.392 -6.666 1.00 0.00 C ATOM 704 O PHE A 199 -3.087 1.457 -6.050 1.00 0.00 O ATOM 705 CB PHE A 199 -2.494 -1.882 -5.863 1.00 0.00 C ATOM 706 CG PHE A 199 -1.194 -1.258 -5.443 1.00 0.00 C ATOM 707 CD1 PHE A 199 -0.880 -1.117 -4.101 1.00 0.00 C ATOM 708 CD2 PHE A 199 -0.286 -0.813 -6.390 1.00 0.00 C ATOM 709 CE1 PHE A 199 0.315 -0.542 -3.712 1.00 0.00 C ATOM 710 CE2 PHE A 199 0.911 -0.237 -6.007 1.00 0.00 C ATOM 711 CZ PHE A 199 1.212 -0.103 -4.666 1.00 0.00 C ATOM 0 H PHE A 199 -4.720 -2.487 -6.787 1.00 0.00 H new ATOM 0 HA PHE A 199 -3.992 -0.621 -4.977 1.00 0.00 H new ATOM 0 HB2 PHE A 199 -2.766 -2.655 -5.144 1.00 0.00 H new ATOM 0 HB3 PHE A 199 -2.357 -2.376 -6.825 1.00 0.00 H new ATOM 0 HD1 PHE A 199 -1.577 -1.460 -3.351 1.00 0.00 H new ATOM 0 HD2 PHE A 199 -0.516 -0.917 -7.440 1.00 0.00 H new ATOM 0 HE1 PHE A 199 0.547 -0.436 -2.663 1.00 0.00 H new ATOM 0 HE2 PHE A 199 1.609 0.108 -6.755 1.00 0.00 H new ATOM 0 HZ PHE A 199 2.147 0.344 -4.364 1.00 0.00 H new ATOM 721 N LEU A 200 -2.825 0.274 -7.946 1.00 0.00 N ATOM 722 CA LEU A 200 -2.345 1.414 -8.720 1.00 0.00 C ATOM 723 C LEU A 200 -3.414 2.498 -8.813 1.00 0.00 C ATOM 724 O LEU A 200 -3.103 3.681 -8.959 1.00 0.00 O ATOM 725 CB LEU A 200 -1.933 0.966 -10.123 1.00 0.00 C ATOM 726 CG LEU A 200 -0.949 -0.203 -10.193 1.00 0.00 C ATOM 727 CD1 LEU A 200 -1.171 -1.012 -11.461 1.00 0.00 C ATOM 728 CD2 LEU A 200 0.484 0.303 -10.125 1.00 0.00 C ATOM 0 H LEU A 200 -2.878 -0.599 -8.470 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.477 1.829 -8.208 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.833 0.691 -10.674 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -1.491 1.818 -10.640 1.00 0.00 H new ATOM 0 HG LEU A 200 -1.125 -0.854 -9.336 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -0.462 -1.839 -11.494 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -2.188 -1.405 -11.469 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -1.023 -0.373 -12.331 1.00 0.00 H new ATOM 0 HD21 LEU A 200 1.171 -0.542 -10.176 1.00 0.00 H new ATOM 0 HD22 LEU A 200 0.673 0.975 -10.962 1.00 0.00 H new ATOM 0 HD23 LEU A 200 0.637 0.839 -9.188 1.00 0.00 H new ATOM 740 N HIS A 201 -4.675 2.087 -8.725 1.00 0.00 N ATOM 741 CA HIS A 201 -5.791 3.024 -8.797 1.00 0.00 C ATOM 742 C HIS A 201 -6.007 3.715 -7.454 1.00 0.00 C ATOM 743 O HIS A 201 -6.712 4.721 -7.369 1.00 0.00 O ATOM 744 CB HIS A 201 -7.068 2.297 -9.220 1.00 0.00 C ATOM 745 CG HIS A 201 -7.160 2.057 -10.696 1.00 0.00 C ATOM 746 ND1 HIS A 201 -8.175 2.564 -11.479 1.00 0.00 N ATOM 747 CD2 HIS A 201 -6.354 1.361 -11.531 1.00 0.00 C ATOM 748 CE1 HIS A 201 -7.991 2.188 -12.732 1.00 0.00 C ATOM 749 NE2 HIS A 201 -6.892 1.457 -12.791 1.00 0.00 N ATOM 0 H HIS A 201 -4.950 1.112 -8.604 1.00 0.00 H new ATOM 0 HA HIS A 201 -5.549 3.782 -9.542 1.00 0.00 H new ATOM 0 HB2 HIS A 201 -7.120 1.340 -8.701 1.00 0.00 H new ATOM 0 HB3 HIS A 201 -7.931 2.881 -8.901 1.00 0.00 H new ATOM 0 HD2 HIS A 201 -5.455 0.829 -11.257 1.00 0.00 H new ATOM 0 HE1 HIS A 201 -8.630 2.436 -13.566 1.00 0.00 H new ATOM 0 HE2 HIS A 201 -6.506 1.033 -13.635 1.00 0.00 H new ATOM 757 N LEU A 202 -5.395 3.170 -6.408 1.00 0.00 N ATOM 758 CA LEU A 202 -5.521 3.735 -5.069 1.00 0.00 C ATOM 759 C LEU A 202 -4.836 5.095 -4.985 1.00 0.00 C ATOM 760 O LEU A 202 -3.883 5.384 -5.710 1.00 0.00 O ATOM 761 CB LEU A 202 -4.918 2.782 -4.035 1.00 0.00 C ATOM 762 CG LEU A 202 -5.488 1.364 -4.016 1.00 0.00 C ATOM 763 CD1 LEU A 202 -4.768 0.513 -2.980 1.00 0.00 C ATOM 764 CD2 LEU A 202 -6.983 1.393 -3.738 1.00 0.00 C ATOM 0 H LEU A 202 -4.807 2.338 -6.461 1.00 0.00 H new ATOM 0 HA LEU A 202 -6.581 3.870 -4.856 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -3.844 2.718 -4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -5.052 3.219 -3.046 1.00 0.00 H new ATOM 0 HG LEU A 202 -5.330 0.917 -4.998 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -5.187 -0.493 -2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -3.707 0.464 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -4.894 0.958 -1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -7.371 0.374 -3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 202 -7.164 1.860 -2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 202 -7.487 1.966 -4.517 1.00 0.00 H new ATOM 776 N PRO A 203 -5.330 5.951 -4.078 1.00 0.00 N ATOM 777 CA PRO A 203 -4.778 7.294 -3.876 1.00 0.00 C ATOM 778 C PRO A 203 -3.394 7.263 -3.237 1.00 0.00 C ATOM 779 O PRO A 203 -2.796 6.198 -3.079 1.00 0.00 O ATOM 780 CB PRO A 203 -5.788 7.954 -2.933 1.00 0.00 C ATOM 781 CG PRO A 203 -6.425 6.819 -2.207 1.00 0.00 C ATOM 782 CD PRO A 203 -6.463 5.674 -3.181 1.00 0.00 C ATOM 0 HA PRO A 203 -4.643 7.825 -4.818 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -5.296 8.639 -2.243 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -6.526 8.534 -3.487 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -5.854 6.555 -1.317 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -7.429 7.082 -1.875 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -6.351 4.714 -2.677 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -7.407 5.640 -3.725 1.00 0.00 H new ATOM 790 N HIS A 204 -2.890 8.437 -2.869 1.00 0.00 N ATOM 791 CA HIS A 204 -1.576 8.543 -2.245 1.00 0.00 C ATOM 792 C HIS A 204 -1.663 8.272 -0.747 1.00 0.00 C ATOM 793 O HIS A 204 -0.823 7.568 -0.184 1.00 0.00 O ATOM 794 CB HIS A 204 -0.982 9.930 -2.491 1.00 0.00 C ATOM 795 CG HIS A 204 0.243 10.210 -1.676 1.00 0.00 C ATOM 796 ND1 HIS A 204 0.246 11.057 -0.588 1.00 0.00 N ATOM 797 CD2 HIS A 204 1.510 9.748 -1.794 1.00 0.00 C ATOM 798 CE1 HIS A 204 1.461 11.106 -0.073 1.00 0.00 C ATOM 799 NE2 HIS A 204 2.247 10.320 -0.787 1.00 0.00 N ATOM 0 H HIS A 204 -3.372 9.328 -2.992 1.00 0.00 H new ATOM 0 HA HIS A 204 -0.926 7.793 -2.695 1.00 0.00 H new ATOM 0 HB2 HIS A 204 -0.735 10.028 -3.548 1.00 0.00 H new ATOM 0 HB3 HIS A 204 -1.737 10.684 -2.268 1.00 0.00 H new ATOM 0 HD2 HIS A 204 1.873 9.058 -2.541 1.00 0.00 H new ATOM 0 HE1 HIS A 204 1.761 11.689 0.785 1.00 0.00 H new ATOM 0 HE2 HIS A 204 3.241 10.164 -0.617 1.00 0.00 H new ATOM 807 N ARG A 205 -2.682 8.834 -0.106 1.00 0.00 N ATOM 808 CA ARG A 205 -2.876 8.655 1.328 1.00 0.00 C ATOM 809 C ARG A 205 -2.867 7.174 1.696 1.00 0.00 C ATOM 810 O ARG A 205 -2.134 6.750 2.590 1.00 0.00 O ATOM 811 CB ARG A 205 -4.195 9.293 1.769 1.00 0.00 C ATOM 812 CG ARG A 205 -4.494 9.112 3.248 1.00 0.00 C ATOM 813 CD ARG A 205 -3.923 10.253 4.076 1.00 0.00 C ATOM 814 NE ARG A 205 -2.538 10.005 4.467 1.00 0.00 N ATOM 815 CZ ARG A 205 -1.961 10.566 5.524 1.00 0.00 C ATOM 816 NH1 ARG A 205 -2.647 11.402 6.291 1.00 0.00 N ATOM 817 NH2 ARG A 205 -0.696 10.290 5.815 1.00 0.00 N ATOM 0 H ARG A 205 -3.387 9.418 -0.557 1.00 0.00 H new ATOM 0 HA ARG A 205 -2.052 9.146 1.846 1.00 0.00 H new ATOM 0 HB2 ARG A 205 -4.168 10.358 1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 205 -5.010 8.862 1.187 1.00 0.00 H new ATOM 0 HG2 ARG A 205 -5.572 9.056 3.398 1.00 0.00 H new ATOM 0 HG3 ARG A 205 -4.075 8.166 3.592 1.00 0.00 H new ATOM 0 HD2 ARG A 205 -3.978 11.179 3.504 1.00 0.00 H new ATOM 0 HD3 ARG A 205 -4.532 10.393 4.969 1.00 0.00 H new ATOM 0 HE ARG A 205 -1.983 9.366 3.897 1.00 0.00 H new ATOM 0 HH11 ARG A 205 -3.620 11.615 6.070 1.00 0.00 H new ATOM 0 HH12 ARG A 205 -2.202 11.832 7.102 1.00 0.00 H new ATOM 0 HH21 ARG A 205 -0.166 9.647 5.227 1.00 0.00 H new ATOM 0 HH22 ARG A 205 -0.254 10.721 6.627 1.00 0.00 H new ATOM 831 N LEU A 206 -3.687 6.392 1.002 1.00 0.00 N ATOM 832 CA LEU A 206 -3.774 4.958 1.256 1.00 0.00 C ATOM 833 C LEU A 206 -2.406 4.297 1.120 1.00 0.00 C ATOM 834 O LEU A 206 -1.861 3.769 2.091 1.00 0.00 O ATOM 835 CB LEU A 206 -4.765 4.308 0.289 1.00 0.00 C ATOM 836 CG LEU A 206 -6.219 4.245 0.760 1.00 0.00 C ATOM 837 CD1 LEU A 206 -6.347 3.338 1.975 1.00 0.00 C ATOM 838 CD2 LEU A 206 -6.739 5.639 1.076 1.00 0.00 C ATOM 0 H LEU A 206 -4.301 6.727 0.259 1.00 0.00 H new ATOM 0 HA LEU A 206 -4.126 4.816 2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 206 -4.733 4.854 -0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 206 -4.427 3.293 0.082 1.00 0.00 H new ATOM 0 HG LEU A 206 -6.824 3.828 -0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 206 -7.388 3.305 2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 206 -6.015 2.333 1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 206 -5.729 3.726 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 206 -7.775 5.574 1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 206 -6.131 6.084 1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 206 -6.684 6.259 0.181 1.00 0.00 H new ATOM 850 N LEU A 207 -1.856 4.331 -0.088 1.00 0.00 N ATOM 851 CA LEU A 207 -0.549 3.737 -0.351 1.00 0.00 C ATOM 852 C LEU A 207 0.463 4.156 0.711 1.00 0.00 C ATOM 853 O LEU A 207 1.125 3.315 1.319 1.00 0.00 O ATOM 854 CB LEU A 207 -0.050 4.148 -1.737 1.00 0.00 C ATOM 855 CG LEU A 207 1.389 3.758 -2.075 1.00 0.00 C ATOM 856 CD1 LEU A 207 1.572 2.252 -1.976 1.00 0.00 C ATOM 857 CD2 LEU A 207 1.764 4.252 -3.465 1.00 0.00 C ATOM 0 H LEU A 207 -2.294 4.763 -0.901 1.00 0.00 H new ATOM 0 HA LEU A 207 -0.656 2.653 -0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 207 -0.710 3.707 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 207 -0.143 5.230 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 207 2.052 4.232 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 207 2.602 1.994 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 207 1.346 1.924 -0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 207 0.898 1.757 -2.676 1.00 0.00 H new ATOM 0 HD21 LEU A 207 2.792 3.965 -3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 207 1.095 3.807 -4.202 1.00 0.00 H new ATOM 0 HD23 LEU A 207 1.674 5.338 -3.502 1.00 0.00 H new ATOM 869 N THR A 208 0.576 5.462 0.931 1.00 0.00 N ATOM 870 CA THR A 208 1.506 5.993 1.919 1.00 0.00 C ATOM 871 C THR A 208 1.316 5.316 3.272 1.00 0.00 C ATOM 872 O THR A 208 2.230 4.674 3.789 1.00 0.00 O ATOM 873 CB THR A 208 1.336 7.514 2.091 1.00 0.00 C ATOM 874 OG1 THR A 208 1.874 8.198 0.954 1.00 0.00 O ATOM 875 CG2 THR A 208 2.031 7.997 3.355 1.00 0.00 C ATOM 0 H THR A 208 0.034 6.172 0.438 1.00 0.00 H new ATOM 0 HA THR A 208 2.511 5.787 1.550 1.00 0.00 H new ATOM 0 HB THR A 208 0.271 7.731 2.176 1.00 0.00 H new ATOM 0 HG1 THR A 208 2.488 8.900 1.255 1.00 0.00 H new ATOM 0 HG21 THR A 208 1.897 9.074 3.455 1.00 0.00 H new ATOM 0 HG22 THR A 208 1.600 7.496 4.222 1.00 0.00 H new ATOM 0 HG23 THR A 208 3.095 7.768 3.296 1.00 0.00 H new ATOM 883 N ASP A 209 0.124 5.464 3.840 1.00 0.00 N ATOM 884 CA ASP A 209 -0.187 4.865 5.132 1.00 0.00 C ATOM 885 C ASP A 209 0.395 3.459 5.234 1.00 0.00 C ATOM 886 O ASP A 209 1.041 3.114 6.224 1.00 0.00 O ATOM 887 CB ASP A 209 -1.701 4.820 5.347 1.00 0.00 C ATOM 888 CG ASP A 209 -2.226 6.070 6.026 1.00 0.00 C ATOM 889 OD1 ASP A 209 -1.638 7.152 5.817 1.00 0.00 O ATOM 890 OD2 ASP A 209 -3.226 5.966 6.767 1.00 0.00 O ATOM 0 H ASP A 209 -0.643 5.994 3.426 1.00 0.00 H new ATOM 0 HA ASP A 209 0.264 5.483 5.908 1.00 0.00 H new ATOM 0 HB2 ASP A 209 -2.198 4.696 4.385 1.00 0.00 H new ATOM 0 HB3 ASP A 209 -1.954 3.948 5.951 1.00 0.00 H new ATOM 895 N ILE A 210 0.162 2.652 4.205 1.00 0.00 N ATOM 896 CA ILE A 210 0.663 1.283 4.178 1.00 0.00 C ATOM 897 C ILE A 210 2.173 1.247 4.393 1.00 0.00 C ATOM 898 O ILE A 210 2.653 0.750 5.412 1.00 0.00 O ATOM 899 CB ILE A 210 0.328 0.586 2.847 1.00 0.00 C ATOM 900 CG1 ILE A 210 -1.178 0.341 2.739 1.00 0.00 C ATOM 901 CG2 ILE A 210 1.093 -0.723 2.727 1.00 0.00 C ATOM 902 CD1 ILE A 210 -1.677 0.258 1.313 1.00 0.00 C ATOM 0 H ILE A 210 -0.371 2.922 3.378 1.00 0.00 H new ATOM 0 HA ILE A 210 0.169 0.750 4.991 1.00 0.00 H new ATOM 0 HB ILE A 210 0.631 1.237 2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 210 -1.425 -0.586 3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 210 -1.706 1.144 3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.845 -1.204 1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 210 2.164 -0.523 2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 210 0.819 -1.382 3.551 1.00 0.00 H new ATOM 0 HD11 ILE A 210 -2.753 0.083 1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -1.462 1.194 0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -1.176 -0.563 0.799 1.00 0.00 H new ATOM 914 N ILE A 211 2.915 1.777 3.427 1.00 0.00 N ATOM 915 CA ILE A 211 4.370 1.808 3.511 1.00 0.00 C ATOM 916 C ILE A 211 4.831 2.441 4.819 1.00 0.00 C ATOM 917 O ILE A 211 5.882 2.088 5.355 1.00 0.00 O ATOM 918 CB ILE A 211 4.986 2.584 2.333 1.00 0.00 C ATOM 919 CG1 ILE A 211 4.366 3.980 2.234 1.00 0.00 C ATOM 920 CG2 ILE A 211 4.789 1.818 1.033 1.00 0.00 C ATOM 921 CD1 ILE A 211 4.976 4.835 1.145 1.00 0.00 C ATOM 0 H ILE A 211 2.533 2.191 2.577 1.00 0.00 H new ATOM 0 HA ILE A 211 4.710 0.773 3.471 1.00 0.00 H new ATOM 0 HB ILE A 211 6.056 2.693 2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 211 3.296 3.882 2.051 1.00 0.00 H new ATOM 0 HG13 ILE A 211 4.480 4.489 3.191 1.00 0.00 H new ATOM 0 HG21 ILE A 211 5.230 2.380 0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 211 5.272 0.844 1.108 1.00 0.00 H new ATOM 0 HG23 ILE A 211 3.723 1.681 0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 211 4.489 5.810 1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 211 6.041 4.964 1.337 1.00 0.00 H new ATOM 0 HD13 ILE A 211 4.838 4.348 0.180 1.00 0.00 H new ATOM 933 N SER A 212 4.038 3.377 5.329 1.00 0.00 N ATOM 934 CA SER A 212 4.365 4.062 6.575 1.00 0.00 C ATOM 935 C SER A 212 4.393 3.081 7.743 1.00 0.00 C ATOM 936 O SER A 212 5.242 3.177 8.629 1.00 0.00 O ATOM 937 CB SER A 212 3.352 5.174 6.852 1.00 0.00 C ATOM 938 OG SER A 212 3.659 5.855 8.056 1.00 0.00 O ATOM 0 H SER A 212 3.164 3.679 4.899 1.00 0.00 H new ATOM 0 HA SER A 212 5.356 4.502 6.469 1.00 0.00 H new ATOM 0 HB2 SER A 212 3.347 5.881 6.022 1.00 0.00 H new ATOM 0 HB3 SER A 212 2.350 4.750 6.916 1.00 0.00 H new ATOM 0 HG SER A 212 2.998 6.562 8.210 1.00 0.00 H new ATOM 944 N ASP A 213 3.458 2.137 7.736 1.00 0.00 N ATOM 945 CA ASP A 213 3.375 1.137 8.794 1.00 0.00 C ATOM 946 C ASP A 213 4.547 0.164 8.716 1.00 0.00 C ATOM 947 O ASP A 213 4.928 -0.447 9.714 1.00 0.00 O ATOM 948 CB ASP A 213 2.054 0.372 8.699 1.00 0.00 C ATOM 949 CG ASP A 213 1.575 -0.127 10.048 1.00 0.00 C ATOM 950 OD1 ASP A 213 1.822 0.564 11.058 1.00 0.00 O ATOM 951 OD2 ASP A 213 0.954 -1.210 10.094 1.00 0.00 O ATOM 0 H ASP A 213 2.748 2.043 7.010 1.00 0.00 H new ATOM 0 HA ASP A 213 3.419 1.654 9.753 1.00 0.00 H new ATOM 0 HB2 ASP A 213 1.293 1.020 8.263 1.00 0.00 H new ATOM 0 HB3 ASP A 213 2.176 -0.475 8.024 1.00 0.00 H new ATOM 956 N GLY A 214 5.115 0.023 7.522 1.00 0.00 N ATOM 957 CA GLY A 214 6.237 -0.878 7.335 1.00 0.00 C ATOM 958 C GLY A 214 6.078 -1.754 6.108 1.00 0.00 C ATOM 959 O GLY A 214 4.968 -1.949 5.614 1.00 0.00 O ATOM 0 H GLY A 214 4.818 0.517 6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 214 7.155 -0.297 7.246 1.00 0.00 H new ATOM 0 HA3 GLY A 214 6.343 -1.509 8.217 1.00 0.00 H new ATOM 963 N VAL A 215 7.192 -2.285 5.614 1.00 0.00 N ATOM 964 CA VAL A 215 7.173 -3.145 4.437 1.00 0.00 C ATOM 965 C VAL A 215 8.370 -4.089 4.426 1.00 0.00 C ATOM 966 O VAL A 215 9.524 -3.669 4.513 1.00 0.00 O ATOM 967 CB VAL A 215 7.173 -2.318 3.137 1.00 0.00 C ATOM 968 CG1 VAL A 215 7.325 -3.226 1.926 1.00 0.00 C ATOM 969 CG2 VAL A 215 5.903 -1.487 3.034 1.00 0.00 C ATOM 0 H VAL A 215 8.119 -2.134 6.011 1.00 0.00 H new ATOM 0 HA VAL A 215 6.254 -3.729 4.487 1.00 0.00 H new ATOM 0 HB VAL A 215 8.024 -1.638 3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 215 7.323 -2.624 1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 215 8.265 -3.773 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 215 6.496 -3.933 1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 215 5.920 -0.909 2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 215 5.035 -2.147 3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 215 5.842 -0.808 3.885 1.00 0.00 H new ATOM 979 N PRO A 216 8.091 -5.396 4.316 1.00 0.00 N ATOM 980 CA PRO A 216 9.132 -6.428 4.290 1.00 0.00 C ATOM 981 C PRO A 216 9.950 -6.394 3.004 1.00 0.00 C ATOM 982 O PRO A 216 9.410 -6.560 1.909 1.00 0.00 O ATOM 983 CB PRO A 216 8.340 -7.734 4.386 1.00 0.00 C ATOM 984 CG PRO A 216 6.995 -7.402 3.837 1.00 0.00 C ATOM 985 CD PRO A 216 6.739 -5.968 4.209 1.00 0.00 C ATOM 0 HA PRO A 216 9.858 -6.294 5.092 1.00 0.00 H new ATOM 0 HB2 PRO A 216 8.817 -8.529 3.813 1.00 0.00 H new ATOM 0 HB3 PRO A 216 8.272 -8.081 5.417 1.00 0.00 H new ATOM 0 HG2 PRO A 216 6.971 -7.535 2.755 1.00 0.00 H new ATOM 0 HG3 PRO A 216 6.230 -8.056 4.255 1.00 0.00 H new ATOM 0 HD2 PRO A 216 6.145 -5.456 3.452 1.00 0.00 H new ATOM 0 HD3 PRO A 216 6.193 -5.888 5.149 1.00 0.00 H new ATOM 993 N CYS A 217 11.254 -6.180 3.142 1.00 0.00 N ATOM 994 CA CYS A 217 12.146 -6.124 1.990 1.00 0.00 C ATOM 995 C CYS A 217 11.740 -7.150 0.937 1.00 0.00 C ATOM 996 O CYS A 217 11.610 -6.826 -0.243 1.00 0.00 O ATOM 997 CB CYS A 217 13.591 -6.368 2.426 1.00 0.00 C ATOM 998 SG CYS A 217 14.785 -6.354 1.067 1.00 0.00 S ATOM 0 H CYS A 217 11.717 -6.042 4.041 1.00 0.00 H new ATOM 0 HA CYS A 217 12.069 -5.130 1.550 1.00 0.00 H new ATOM 0 HB2 CYS A 217 13.874 -5.606 3.152 1.00 0.00 H new ATOM 0 HB3 CYS A 217 13.648 -7.330 2.936 1.00 0.00 H new ATOM 0 HG CYS A 217 15.979 -6.567 1.536 1.00 0.00 H new ATOM 1004 N SER A 218 11.541 -8.390 1.373 1.00 0.00 N ATOM 1005 CA SER A 218 11.155 -9.466 0.468 1.00 0.00 C ATOM 1006 C SER A 218 10.207 -8.953 -0.612 1.00 0.00 C ATOM 1007 O SER A 218 10.351 -9.287 -1.788 1.00 0.00 O ATOM 1008 CB SER A 218 10.491 -10.603 1.247 1.00 0.00 C ATOM 1009 OG SER A 218 9.359 -10.139 1.962 1.00 0.00 O ATOM 0 H SER A 218 11.641 -8.674 2.348 1.00 0.00 H new ATOM 0 HA SER A 218 12.057 -9.844 -0.014 1.00 0.00 H new ATOM 0 HB2 SER A 218 10.191 -11.393 0.558 1.00 0.00 H new ATOM 0 HB3 SER A 218 11.209 -11.040 1.941 1.00 0.00 H new ATOM 0 HG SER A 218 8.952 -10.885 2.450 1.00 0.00 H new ATOM 1015 N GLN A 219 9.239 -8.140 -0.203 1.00 0.00 N ATOM 1016 CA GLN A 219 8.266 -7.581 -1.135 1.00 0.00 C ATOM 1017 C GLN A 219 8.783 -6.284 -1.748 1.00 0.00 C ATOM 1018 O GLN A 219 8.583 -5.203 -1.196 1.00 0.00 O ATOM 1019 CB GLN A 219 6.935 -7.329 -0.425 1.00 0.00 C ATOM 1020 CG GLN A 219 6.250 -8.599 0.052 1.00 0.00 C ATOM 1021 CD GLN A 219 5.693 -9.427 -1.089 1.00 0.00 C ATOM 1022 OE1 GLN A 219 4.489 -9.423 -1.345 1.00 0.00 O ATOM 1023 NE2 GLN A 219 6.570 -10.143 -1.784 1.00 0.00 N ATOM 0 H GLN A 219 9.107 -7.853 0.767 1.00 0.00 H new ATOM 0 HA GLN A 219 8.111 -8.303 -1.936 1.00 0.00 H new ATOM 0 HB2 GLN A 219 7.107 -6.676 0.430 1.00 0.00 H new ATOM 0 HB3 GLN A 219 6.266 -6.798 -1.102 1.00 0.00 H new ATOM 0 HG2 GLN A 219 6.962 -9.200 0.618 1.00 0.00 H new ATOM 0 HG3 GLN A 219 5.441 -8.337 0.734 1.00 0.00 H new ATOM 0 HE21 GLN A 219 7.559 -10.117 -1.537 1.00 0.00 H new ATOM 0 HE22 GLN A 219 6.254 -10.719 -2.564 1.00 0.00 H new ATOM 1032 N ASN A 220 9.449 -6.400 -2.893 1.00 0.00 N ATOM 1033 CA ASN A 220 9.996 -5.236 -3.580 1.00 0.00 C ATOM 1034 C ASN A 220 9.094 -4.020 -3.393 1.00 0.00 C ATOM 1035 O ASN A 220 8.103 -3.835 -4.100 1.00 0.00 O ATOM 1036 CB ASN A 220 10.167 -5.533 -5.072 1.00 0.00 C ATOM 1037 CG ASN A 220 11.230 -6.581 -5.334 1.00 0.00 C ATOM 1038 OD1 ASN A 220 12.411 -6.262 -5.475 1.00 0.00 O ATOM 1039 ND2 ASN A 220 10.815 -7.841 -5.402 1.00 0.00 N ATOM 0 H ASN A 220 9.623 -7.288 -3.364 1.00 0.00 H new ATOM 0 HA ASN A 220 10.971 -5.013 -3.146 1.00 0.00 H new ATOM 0 HB2 ASN A 220 9.216 -5.873 -5.483 1.00 0.00 H new ATOM 0 HB3 ASN A 220 10.430 -4.614 -5.595 1.00 0.00 H new ATOM 0 HD21 ASN A 220 11.485 -8.590 -5.577 1.00 0.00 H new ATOM 0 HD22 ASN A 220 9.826 -8.060 -5.279 1.00 0.00 H new ATOM 1046 N PRO A 221 9.443 -3.170 -2.416 1.00 0.00 N ATOM 1047 CA PRO A 221 8.680 -1.956 -2.113 1.00 0.00 C ATOM 1048 C PRO A 221 8.805 -0.903 -3.209 1.00 0.00 C ATOM 1049 O PRO A 221 7.804 -0.374 -3.694 1.00 0.00 O ATOM 1050 CB PRO A 221 9.314 -1.453 -0.814 1.00 0.00 C ATOM 1051 CG PRO A 221 10.700 -2.000 -0.832 1.00 0.00 C ATOM 1052 CD PRO A 221 10.612 -3.327 -1.534 1.00 0.00 C ATOM 0 HA PRO A 221 7.612 -2.156 -2.032 1.00 0.00 H new ATOM 0 HB2 PRO A 221 9.319 -0.364 -0.772 1.00 0.00 H new ATOM 0 HB3 PRO A 221 8.761 -1.803 0.058 1.00 0.00 H new ATOM 0 HG2 PRO A 221 11.379 -1.326 -1.355 1.00 0.00 H new ATOM 0 HG3 PRO A 221 11.086 -2.119 0.180 1.00 0.00 H new ATOM 0 HD2 PRO A 221 11.517 -3.542 -2.101 1.00 0.00 H new ATOM 0 HD3 PRO A 221 10.476 -4.147 -0.828 1.00 0.00 H new ATOM 1060 N THR A 222 10.041 -0.603 -3.597 1.00 0.00 N ATOM 1061 CA THR A 222 10.297 0.387 -4.635 1.00 0.00 C ATOM 1062 C THR A 222 9.526 0.060 -5.909 1.00 0.00 C ATOM 1063 O THR A 222 8.914 0.937 -6.517 1.00 0.00 O ATOM 1064 CB THR A 222 11.798 0.478 -4.966 1.00 0.00 C ATOM 1065 OG1 THR A 222 12.246 -0.749 -5.553 1.00 0.00 O ATOM 1066 CG2 THR A 222 12.611 0.775 -3.715 1.00 0.00 C ATOM 0 H THR A 222 10.880 -1.032 -3.207 1.00 0.00 H new ATOM 0 HA THR A 222 9.959 1.348 -4.246 1.00 0.00 H new ATOM 0 HB THR A 222 11.942 1.293 -5.675 1.00 0.00 H new ATOM 0 HG1 THR A 222 13.201 -0.682 -5.762 1.00 0.00 H new ATOM 0 HG21 THR A 222 13.668 0.835 -3.974 1.00 0.00 H new ATOM 0 HG22 THR A 222 12.288 1.724 -3.288 1.00 0.00 H new ATOM 0 HG23 THR A 222 12.460 -0.021 -2.986 1.00 0.00 H new ATOM 1074 N GLU A 223 9.560 -1.208 -6.306 1.00 0.00 N ATOM 1075 CA GLU A 223 8.864 -1.650 -7.509 1.00 0.00 C ATOM 1076 C GLU A 223 7.437 -1.112 -7.540 1.00 0.00 C ATOM 1077 O GLU A 223 7.005 -0.525 -8.532 1.00 0.00 O ATOM 1078 CB GLU A 223 8.846 -3.178 -7.582 1.00 0.00 C ATOM 1079 CG GLU A 223 10.141 -3.778 -8.104 1.00 0.00 C ATOM 1080 CD GLU A 223 10.163 -3.893 -9.616 1.00 0.00 C ATOM 1081 OE1 GLU A 223 10.368 -2.860 -10.287 1.00 0.00 O ATOM 1082 OE2 GLU A 223 9.975 -5.016 -10.129 1.00 0.00 O ATOM 0 H GLU A 223 10.061 -1.947 -5.813 1.00 0.00 H new ATOM 0 HA GLU A 223 9.401 -1.258 -8.373 1.00 0.00 H new ATOM 0 HB2 GLU A 223 8.645 -3.578 -6.588 1.00 0.00 H new ATOM 0 HB3 GLU A 223 8.024 -3.493 -8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 223 10.980 -3.163 -7.778 1.00 0.00 H new ATOM 0 HG3 GLU A 223 10.282 -4.766 -7.666 1.00 0.00 H new ATOM 1089 N ALA A 224 6.709 -1.317 -6.447 1.00 0.00 N ATOM 1090 CA ALA A 224 5.332 -0.851 -6.347 1.00 0.00 C ATOM 1091 C ALA A 224 5.256 0.668 -6.452 1.00 0.00 C ATOM 1092 O ALA A 224 4.388 1.210 -7.136 1.00 0.00 O ATOM 1093 CB ALA A 224 4.708 -1.324 -5.043 1.00 0.00 C ATOM 0 H ALA A 224 7.051 -1.803 -5.618 1.00 0.00 H new ATOM 0 HA ALA A 224 4.771 -1.274 -7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 224 3.679 -0.969 -4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 224 4.718 -2.413 -5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 224 5.279 -0.929 -4.202 1.00 0.00 H new ATOM 1099 N ILE A 225 6.171 1.349 -5.770 1.00 0.00 N ATOM 1100 CA ILE A 225 6.207 2.806 -5.787 1.00 0.00 C ATOM 1101 C ILE A 225 6.407 3.334 -7.204 1.00 0.00 C ATOM 1102 O ILE A 225 5.752 4.290 -7.618 1.00 0.00 O ATOM 1103 CB ILE A 225 7.330 3.352 -4.885 1.00 0.00 C ATOM 1104 CG1 ILE A 225 7.109 2.911 -3.436 1.00 0.00 C ATOM 1105 CG2 ILE A 225 7.394 4.869 -4.978 1.00 0.00 C ATOM 1106 CD1 ILE A 225 8.306 3.148 -2.543 1.00 0.00 C ATOM 0 H ILE A 225 6.897 0.915 -5.199 1.00 0.00 H new ATOM 0 HA ILE A 225 5.246 3.150 -5.405 1.00 0.00 H new ATOM 0 HB ILE A 225 8.282 2.946 -5.228 1.00 0.00 H new ATOM 0 HG12 ILE A 225 6.251 3.446 -3.029 1.00 0.00 H new ATOM 0 HG13 ILE A 225 6.860 1.850 -3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 225 8.192 5.240 -4.335 1.00 0.00 H new ATOM 0 HG22 ILE A 225 7.593 5.162 -6.009 1.00 0.00 H new ATOM 0 HG23 ILE A 225 6.443 5.294 -4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 225 8.078 2.812 -1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 225 9.161 2.591 -2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 225 8.543 4.212 -2.527 1.00 0.00 H new ATOM 1118 N GLU A 226 7.316 2.704 -7.942 1.00 0.00 N ATOM 1119 CA GLU A 226 7.601 3.111 -9.313 1.00 0.00 C ATOM 1120 C GLU A 226 6.374 2.928 -10.201 1.00 0.00 C ATOM 1121 O GLU A 226 6.105 3.743 -11.082 1.00 0.00 O ATOM 1122 CB GLU A 226 8.775 2.305 -9.873 1.00 0.00 C ATOM 1123 CG GLU A 226 10.058 2.462 -9.075 1.00 0.00 C ATOM 1124 CD GLU A 226 11.299 2.220 -9.911 1.00 0.00 C ATOM 1125 OE1 GLU A 226 11.191 1.534 -10.949 1.00 0.00 O ATOM 1126 OE2 GLU A 226 12.379 2.717 -9.527 1.00 0.00 O ATOM 0 H GLU A 226 7.867 1.911 -7.614 1.00 0.00 H new ATOM 0 HA GLU A 226 7.866 4.168 -9.304 1.00 0.00 H new ATOM 0 HB2 GLU A 226 8.501 1.250 -9.900 1.00 0.00 H new ATOM 0 HB3 GLU A 226 8.958 2.613 -10.903 1.00 0.00 H new ATOM 0 HG2 GLU A 226 10.099 3.466 -8.654 1.00 0.00 H new ATOM 0 HG3 GLU A 226 10.048 1.765 -8.237 1.00 0.00 H new ATOM 1133 N ALA A 227 5.633 1.851 -9.961 1.00 0.00 N ATOM 1134 CA ALA A 227 4.434 1.560 -10.737 1.00 0.00 C ATOM 1135 C ALA A 227 3.304 2.521 -10.382 1.00 0.00 C ATOM 1136 O ALA A 227 2.814 3.261 -11.235 1.00 0.00 O ATOM 1137 CB ALA A 227 3.995 0.121 -10.513 1.00 0.00 C ATOM 0 H ALA A 227 5.842 1.166 -9.235 1.00 0.00 H new ATOM 0 HA ALA A 227 4.673 1.695 -11.792 1.00 0.00 H new ATOM 0 HB1 ALA A 227 3.098 -0.081 -11.099 1.00 0.00 H new ATOM 0 HB2 ALA A 227 4.792 -0.555 -10.824 1.00 0.00 H new ATOM 0 HB3 ALA A 227 3.780 -0.033 -9.456 1.00 0.00 H new ATOM 1143 N TRP A 228 2.895 2.504 -9.119 1.00 0.00 N ATOM 1144 CA TRP A 228 1.821 3.373 -8.651 1.00 0.00 C ATOM 1145 C TRP A 228 2.071 4.819 -9.068 1.00 0.00 C ATOM 1146 O TRP A 228 1.129 5.581 -9.289 1.00 0.00 O ATOM 1147 CB TRP A 228 1.691 3.284 -7.130 1.00 0.00 C ATOM 1148 CG TRP A 228 0.549 4.087 -6.583 1.00 0.00 C ATOM 1149 CD1 TRP A 228 -0.638 3.606 -6.109 1.00 0.00 C ATOM 1150 CD2 TRP A 228 0.487 5.512 -6.457 1.00 0.00 C ATOM 1151 NE1 TRP A 228 -1.435 4.647 -5.695 1.00 0.00 N ATOM 1152 CE2 TRP A 228 -0.767 5.826 -5.897 1.00 0.00 C ATOM 1153 CE3 TRP A 228 1.368 6.553 -6.760 1.00 0.00 C ATOM 1154 CZ2 TRP A 228 -1.159 7.136 -5.637 1.00 0.00 C ATOM 1155 CZ3 TRP A 228 0.978 7.853 -6.501 1.00 0.00 C ATOM 1156 CH2 TRP A 228 -0.276 8.136 -5.944 1.00 0.00 C ATOM 0 H TRP A 228 3.291 1.898 -8.400 1.00 0.00 H new ATOM 0 HA TRP A 228 0.890 3.037 -9.108 1.00 0.00 H new ATOM 0 HB2 TRP A 228 1.562 2.240 -6.844 1.00 0.00 H new ATOM 0 HB3 TRP A 228 2.619 3.627 -6.673 1.00 0.00 H new ATOM 0 HD1 TRP A 228 -0.910 2.562 -6.066 1.00 0.00 H new ATOM 0 HE1 TRP A 228 -2.372 4.556 -5.301 1.00 0.00 H new ATOM 0 HE3 TRP A 228 2.337 6.345 -7.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 228 -2.126 7.356 -5.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 228 1.652 8.665 -6.732 1.00 0.00 H new ATOM 0 HH2 TRP A 228 -0.551 9.163 -5.753 1.00 0.00 H new ATOM 1167 N ILE A 229 3.342 5.188 -9.175 1.00 0.00 N ATOM 1168 CA ILE A 229 3.714 6.542 -9.568 1.00 0.00 C ATOM 1169 C ILE A 229 3.722 6.691 -11.085 1.00 0.00 C ATOM 1170 O ILE A 229 3.041 7.555 -11.638 1.00 0.00 O ATOM 1171 CB ILE A 229 5.100 6.927 -9.018 1.00 0.00 C ATOM 1172 CG1 ILE A 229 4.994 7.331 -7.546 1.00 0.00 C ATOM 1173 CG2 ILE A 229 5.701 8.057 -9.841 1.00 0.00 C ATOM 1174 CD1 ILE A 229 4.502 8.747 -7.342 1.00 0.00 C ATOM 0 H ILE A 229 4.132 4.569 -8.995 1.00 0.00 H new ATOM 0 HA ILE A 229 2.965 7.211 -9.144 1.00 0.00 H new ATOM 0 HB ILE A 229 5.757 6.061 -9.091 1.00 0.00 H new ATOM 0 HG12 ILE A 229 4.319 6.643 -7.037 1.00 0.00 H new ATOM 0 HG13 ILE A 229 5.972 7.224 -7.077 1.00 0.00 H new ATOM 0 HG21 ILE A 229 6.680 8.318 -9.440 1.00 0.00 H new ATOM 0 HG22 ILE A 229 5.807 7.736 -10.877 1.00 0.00 H new ATOM 0 HG23 ILE A 229 5.047 8.928 -9.796 1.00 0.00 H new ATOM 0 HD11 ILE A 229 4.452 8.965 -6.275 1.00 0.00 H new ATOM 0 HD12 ILE A 229 5.189 9.444 -7.822 1.00 0.00 H new ATOM 0 HD13 ILE A 229 3.510 8.854 -7.781 1.00 0.00 H new ATOM 1186 N ASN A 230 4.496 5.843 -11.754 1.00 0.00 N ATOM 1187 CA ASN A 230 4.592 5.880 -13.209 1.00 0.00 C ATOM 1188 C ASN A 230 3.231 6.167 -13.837 1.00 0.00 C ATOM 1189 O ASN A 230 3.132 6.900 -14.821 1.00 0.00 O ATOM 1190 CB ASN A 230 5.141 4.553 -13.738 1.00 0.00 C ATOM 1191 CG ASN A 230 4.763 4.308 -15.187 1.00 0.00 C ATOM 1192 OD1 ASN A 230 5.531 4.612 -16.100 1.00 0.00 O ATOM 1193 ND2 ASN A 230 3.575 3.757 -15.403 1.00 0.00 N ATOM 0 H ASN A 230 5.066 5.122 -11.312 1.00 0.00 H new ATOM 0 HA ASN A 230 5.275 6.684 -13.483 1.00 0.00 H new ATOM 0 HB2 ASN A 230 6.227 4.548 -13.643 1.00 0.00 H new ATOM 0 HB3 ASN A 230 4.763 3.736 -13.124 1.00 0.00 H new ATOM 0 HD21 ASN A 230 3.266 3.569 -16.357 1.00 0.00 H new ATOM 0 HD22 ASN A 230 2.971 3.521 -14.615 1.00 0.00 H new ATOM 1200 N PHE A 231 2.185 5.585 -13.260 1.00 0.00 N ATOM 1201 CA PHE A 231 0.830 5.777 -13.763 1.00 0.00 C ATOM 1202 C PHE A 231 0.610 7.225 -14.193 1.00 0.00 C ATOM 1203 O PHE A 231 0.227 7.494 -15.330 1.00 0.00 O ATOM 1204 CB PHE A 231 -0.194 5.390 -12.693 1.00 0.00 C ATOM 1205 CG PHE A 231 -1.537 5.022 -13.254 1.00 0.00 C ATOM 1206 CD1 PHE A 231 -2.348 5.984 -13.834 1.00 0.00 C ATOM 1207 CD2 PHE A 231 -1.989 3.713 -13.202 1.00 0.00 C ATOM 1208 CE1 PHE A 231 -3.585 5.649 -14.352 1.00 0.00 C ATOM 1209 CE2 PHE A 231 -3.225 3.372 -13.719 1.00 0.00 C ATOM 1210 CZ PHE A 231 -4.024 4.341 -14.293 1.00 0.00 C ATOM 0 H PHE A 231 2.250 4.977 -12.444 1.00 0.00 H new ATOM 0 HA PHE A 231 0.697 5.133 -14.633 1.00 0.00 H new ATOM 0 HB2 PHE A 231 0.193 4.549 -12.118 1.00 0.00 H new ATOM 0 HB3 PHE A 231 -0.315 6.222 -11.999 1.00 0.00 H new ATOM 0 HD1 PHE A 231 -2.009 7.008 -13.882 1.00 0.00 H new ATOM 0 HD2 PHE A 231 -1.369 2.951 -12.753 1.00 0.00 H new ATOM 0 HE1 PHE A 231 -4.207 6.409 -14.802 1.00 0.00 H new ATOM 0 HE2 PHE A 231 -3.566 2.348 -13.674 1.00 0.00 H new ATOM 0 HZ PHE A 231 -4.991 4.076 -14.695 1.00 0.00 H new ATOM 1220 N ASN A 232 0.854 8.153 -13.273 1.00 0.00 N ATOM 1221 CA ASN A 232 0.682 9.573 -13.555 1.00 0.00 C ATOM 1222 C ASN A 232 1.925 10.362 -13.155 1.00 0.00 C ATOM 1223 O ASN A 232 1.831 11.506 -12.709 1.00 0.00 O ATOM 1224 CB ASN A 232 -0.542 10.117 -12.815 1.00 0.00 C ATOM 1225 CG ASN A 232 -1.149 11.321 -13.509 1.00 0.00 C ATOM 1226 OD1 ASN A 232 -1.408 11.292 -14.713 1.00 0.00 O ATOM 1227 ND2 ASN A 232 -1.380 12.386 -12.751 1.00 0.00 N ATOM 0 H ASN A 232 1.171 7.947 -12.326 1.00 0.00 H new ATOM 0 HA ASN A 232 0.530 9.689 -14.628 1.00 0.00 H new ATOM 0 HB2 ASN A 232 -1.293 9.331 -12.734 1.00 0.00 H new ATOM 0 HB3 ASN A 232 -0.257 10.392 -11.800 1.00 0.00 H new ATOM 0 HD21 ASN A 232 -1.788 13.226 -13.162 1.00 0.00 H new ATOM 0 HD22 ASN A 232 -1.149 12.365 -11.758 1.00 0.00 H new ATOM 1234 N LYS A 233 3.089 9.743 -13.317 1.00 0.00 N ATOM 1235 CA LYS A 233 4.352 10.386 -12.974 1.00 0.00 C ATOM 1236 C LYS A 233 4.401 11.812 -13.515 1.00 0.00 C ATOM 1237 O LYS A 233 5.059 12.680 -12.942 1.00 0.00 O ATOM 1238 CB LYS A 233 5.527 9.578 -13.530 1.00 0.00 C ATOM 1239 CG LYS A 233 6.878 10.233 -13.301 1.00 0.00 C ATOM 1240 CD LYS A 233 8.017 9.332 -13.749 1.00 0.00 C ATOM 1241 CE LYS A 233 8.521 8.463 -12.607 1.00 0.00 C ATOM 1242 NZ LYS A 233 7.817 7.151 -12.556 1.00 0.00 N ATOM 0 H LYS A 233 3.184 8.796 -13.684 1.00 0.00 H new ATOM 0 HA LYS A 233 4.428 10.425 -11.887 1.00 0.00 H new ATOM 0 HB2 LYS A 233 5.529 8.590 -13.069 1.00 0.00 H new ATOM 0 HB3 LYS A 233 5.381 9.430 -14.600 1.00 0.00 H new ATOM 0 HG2 LYS A 233 6.923 11.176 -13.845 1.00 0.00 H new ATOM 0 HG3 LYS A 233 6.994 10.470 -12.243 1.00 0.00 H new ATOM 0 HD2 LYS A 233 7.680 8.698 -14.569 1.00 0.00 H new ATOM 0 HD3 LYS A 233 8.835 9.941 -14.133 1.00 0.00 H new ATOM 0 HE2 LYS A 233 9.592 8.296 -12.723 1.00 0.00 H new ATOM 0 HE3 LYS A 233 8.380 8.988 -11.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 233 7.434 6.999 -11.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 233 7.039 7.148 -13.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 233 8.486 6.389 -12.786 1.00 0.00 H new ATOM 1256 N GLU A 234 3.700 12.045 -14.620 1.00 0.00 N ATOM 1257 CA GLU A 234 3.664 13.366 -15.236 1.00 0.00 C ATOM 1258 C GLU A 234 3.721 14.463 -14.176 1.00 0.00 C ATOM 1259 O GLU A 234 4.377 15.487 -14.364 1.00 0.00 O ATOM 1260 CB GLU A 234 2.398 13.525 -16.081 1.00 0.00 C ATOM 1261 CG GLU A 234 1.113 13.300 -15.301 1.00 0.00 C ATOM 1262 CD GLU A 234 -0.126 13.634 -16.109 1.00 0.00 C ATOM 1263 OE1 GLU A 234 -0.116 13.399 -17.336 1.00 0.00 O ATOM 1264 OE2 GLU A 234 -1.105 14.131 -15.514 1.00 0.00 O ATOM 0 H GLU A 234 3.150 11.337 -15.106 1.00 0.00 H new ATOM 0 HA GLU A 234 4.538 13.461 -15.881 1.00 0.00 H new ATOM 0 HB2 GLU A 234 2.382 14.527 -16.511 1.00 0.00 H new ATOM 0 HB3 GLU A 234 2.436 12.822 -16.913 1.00 0.00 H new ATOM 0 HG2 GLU A 234 1.064 12.259 -14.981 1.00 0.00 H new ATOM 0 HG3 GLU A 234 1.129 13.910 -14.398 1.00 0.00 H new ATOM 1271 N GLU A 235 3.030 14.239 -13.063 1.00 0.00 N ATOM 1272 CA GLU A 235 3.001 15.208 -11.974 1.00 0.00 C ATOM 1273 C GLU A 235 3.201 14.519 -10.627 1.00 0.00 C ATOM 1274 O GLU A 235 3.842 15.065 -9.728 1.00 0.00 O ATOM 1275 CB GLU A 235 1.676 15.973 -11.977 1.00 0.00 C ATOM 1276 CG GLU A 235 1.691 17.220 -11.110 1.00 0.00 C ATOM 1277 CD GLU A 235 0.305 17.627 -10.648 1.00 0.00 C ATOM 1278 OE1 GLU A 235 -0.331 16.840 -9.916 1.00 0.00 O ATOM 1279 OE2 GLU A 235 -0.145 18.731 -11.019 1.00 0.00 O ATOM 0 H GLU A 235 2.483 13.395 -12.892 1.00 0.00 H new ATOM 0 HA GLU A 235 3.819 15.912 -12.127 1.00 0.00 H new ATOM 0 HB2 GLU A 235 1.432 16.256 -13.001 1.00 0.00 H new ATOM 0 HB3 GLU A 235 0.883 15.310 -11.632 1.00 0.00 H new ATOM 0 HG2 GLU A 235 2.323 17.045 -10.239 1.00 0.00 H new ATOM 0 HG3 GLU A 235 2.139 18.041 -11.669 1.00 0.00 H new ATOM 1286 N ARG A 236 2.648 13.318 -10.496 1.00 0.00 N ATOM 1287 CA ARG A 236 2.763 12.555 -9.259 1.00 0.00 C ATOM 1288 C ARG A 236 4.222 12.437 -8.827 1.00 0.00 C ATOM 1289 O ARG A 236 4.514 12.102 -7.679 1.00 0.00 O ATOM 1290 CB ARG A 236 2.157 11.162 -9.436 1.00 0.00 C ATOM 1291 CG ARG A 236 0.659 11.112 -9.183 1.00 0.00 C ATOM 1292 CD ARG A 236 0.144 9.681 -9.169 1.00 0.00 C ATOM 1293 NE ARG A 236 -1.200 9.589 -8.605 1.00 0.00 N ATOM 1294 CZ ARG A 236 -2.006 8.551 -8.794 1.00 0.00 C ATOM 1295 NH1 ARG A 236 -1.607 7.522 -9.528 1.00 0.00 N ATOM 1296 NH2 ARG A 236 -3.215 8.540 -8.247 1.00 0.00 N ATOM 0 H ARG A 236 2.116 12.852 -11.231 1.00 0.00 H new ATOM 0 HA ARG A 236 2.214 13.086 -8.481 1.00 0.00 H new ATOM 0 HB2 ARG A 236 2.357 10.814 -10.449 1.00 0.00 H new ATOM 0 HB3 ARG A 236 2.655 10.470 -8.757 1.00 0.00 H new ATOM 0 HG2 ARG A 236 0.434 11.590 -8.230 1.00 0.00 H new ATOM 0 HG3 ARG A 236 0.139 11.679 -9.955 1.00 0.00 H new ATOM 0 HD2 ARG A 236 0.138 9.288 -10.186 1.00 0.00 H new ATOM 0 HD3 ARG A 236 0.824 9.057 -8.589 1.00 0.00 H new ATOM 0 HE ARG A 236 -1.538 10.364 -8.035 1.00 0.00 H new ATOM 0 HH11 ARG A 236 -0.678 7.526 -9.950 1.00 0.00 H new ATOM 0 HH12 ARG A 236 -2.229 6.726 -9.671 1.00 0.00 H new ATOM 0 HH21 ARG A 236 -3.526 9.329 -7.681 1.00 0.00 H new ATOM 0 HH22 ARG A 236 -3.833 7.742 -8.393 1.00 0.00 H new ATOM 1310 N GLU A 237 5.132 12.713 -9.755 1.00 0.00 N ATOM 1311 CA GLU A 237 6.560 12.635 -9.470 1.00 0.00 C ATOM 1312 C GLU A 237 6.853 13.067 -8.036 1.00 0.00 C ATOM 1313 O GLU A 237 7.447 12.318 -7.261 1.00 0.00 O ATOM 1314 CB GLU A 237 7.346 13.511 -10.448 1.00 0.00 C ATOM 1315 CG GLU A 237 8.753 13.840 -9.975 1.00 0.00 C ATOM 1316 CD GLU A 237 9.723 14.037 -11.124 1.00 0.00 C ATOM 1317 OE1 GLU A 237 9.431 14.863 -12.014 1.00 0.00 O ATOM 1318 OE2 GLU A 237 10.775 13.364 -11.132 1.00 0.00 O ATOM 0 H GLU A 237 4.907 12.992 -10.710 1.00 0.00 H new ATOM 0 HA GLU A 237 6.872 11.598 -9.590 1.00 0.00 H new ATOM 0 HB2 GLU A 237 7.405 13.003 -11.411 1.00 0.00 H new ATOM 0 HB3 GLU A 237 6.800 14.440 -10.610 1.00 0.00 H new ATOM 0 HG2 GLU A 237 8.726 14.745 -9.368 1.00 0.00 H new ATOM 0 HG3 GLU A 237 9.114 13.036 -9.333 1.00 0.00 H new ATOM 1325 N ALA A 238 6.431 14.279 -7.691 1.00 0.00 N ATOM 1326 CA ALA A 238 6.646 14.810 -6.351 1.00 0.00 C ATOM 1327 C ALA A 238 6.412 13.738 -5.291 1.00 0.00 C ATOM 1328 O ALA A 238 7.229 13.554 -4.389 1.00 0.00 O ATOM 1329 CB ALA A 238 5.737 16.005 -6.104 1.00 0.00 C ATOM 0 H ALA A 238 5.938 14.912 -8.321 1.00 0.00 H new ATOM 0 HA ALA A 238 7.684 15.135 -6.279 1.00 0.00 H new ATOM 0 HB1 ALA A 238 5.909 16.391 -5.099 1.00 0.00 H new ATOM 0 HB2 ALA A 238 5.954 16.784 -6.834 1.00 0.00 H new ATOM 0 HB3 ALA A 238 4.696 15.697 -6.201 1.00 0.00 H new ATOM 1335 N PHE A 239 5.292 13.033 -5.407 1.00 0.00 N ATOM 1336 CA PHE A 239 4.950 11.980 -4.458 1.00 0.00 C ATOM 1337 C PHE A 239 5.962 10.840 -4.522 1.00 0.00 C ATOM 1338 O PHE A 239 6.240 10.185 -3.518 1.00 0.00 O ATOM 1339 CB PHE A 239 3.545 11.445 -4.742 1.00 0.00 C ATOM 1340 CG PHE A 239 2.465 12.475 -4.567 1.00 0.00 C ATOM 1341 CD1 PHE A 239 2.137 13.336 -5.602 1.00 0.00 C ATOM 1342 CD2 PHE A 239 1.779 12.583 -3.368 1.00 0.00 C ATOM 1343 CE1 PHE A 239 1.144 14.285 -5.445 1.00 0.00 C ATOM 1344 CE2 PHE A 239 0.785 13.529 -3.206 1.00 0.00 C ATOM 1345 CZ PHE A 239 0.468 14.382 -4.245 1.00 0.00 C ATOM 0 H PHE A 239 4.606 13.172 -6.149 1.00 0.00 H new ATOM 0 HA PHE A 239 4.973 12.408 -3.456 1.00 0.00 H new ATOM 0 HB2 PHE A 239 3.510 11.063 -5.762 1.00 0.00 H new ATOM 0 HB3 PHE A 239 3.344 10.603 -4.079 1.00 0.00 H new ATOM 0 HD1 PHE A 239 2.663 13.265 -6.542 1.00 0.00 H new ATOM 0 HD2 PHE A 239 2.024 11.920 -2.551 1.00 0.00 H new ATOM 0 HE1 PHE A 239 0.897 14.950 -6.260 1.00 0.00 H new ATOM 0 HE2 PHE A 239 0.256 13.601 -2.267 1.00 0.00 H new ATOM 0 HZ PHE A 239 -0.307 15.123 -4.119 1.00 0.00 H new ATOM 1355 N ALA A 240 6.510 10.609 -5.711 1.00 0.00 N ATOM 1356 CA ALA A 240 7.492 9.550 -5.907 1.00 0.00 C ATOM 1357 C ALA A 240 8.731 9.785 -5.049 1.00 0.00 C ATOM 1358 O ALA A 240 9.157 8.903 -4.305 1.00 0.00 O ATOM 1359 CB ALA A 240 7.876 9.452 -7.376 1.00 0.00 C ATOM 0 H ALA A 240 6.290 11.141 -6.553 1.00 0.00 H new ATOM 0 HA ALA A 240 7.041 8.608 -5.597 1.00 0.00 H new ATOM 0 HB1 ALA A 240 8.610 8.657 -7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 240 6.989 9.229 -7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 240 8.304 10.399 -7.704 1.00 0.00 H new ATOM 1365 N GLU A 241 9.305 10.979 -5.160 1.00 0.00 N ATOM 1366 CA GLU A 241 10.496 11.327 -4.395 1.00 0.00 C ATOM 1367 C GLU A 241 10.218 11.261 -2.896 1.00 0.00 C ATOM 1368 O GLU A 241 10.913 10.564 -2.156 1.00 0.00 O ATOM 1369 CB GLU A 241 10.981 12.728 -4.774 1.00 0.00 C ATOM 1370 CG GLU A 241 11.663 12.791 -6.130 1.00 0.00 C ATOM 1371 CD GLU A 241 13.132 12.420 -6.062 1.00 0.00 C ATOM 1372 OE1 GLU A 241 13.942 13.281 -5.659 1.00 0.00 O ATOM 1373 OE2 GLU A 241 13.471 11.270 -6.412 1.00 0.00 O ATOM 0 H GLU A 241 8.965 11.721 -5.772 1.00 0.00 H new ATOM 0 HA GLU A 241 11.275 10.603 -4.635 1.00 0.00 H new ATOM 0 HB2 GLU A 241 10.131 13.410 -4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 241 11.675 13.082 -4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 241 11.154 12.118 -6.820 1.00 0.00 H new ATOM 0 HG3 GLU A 241 11.565 13.798 -6.535 1.00 0.00 H new ATOM 1380 N SER A 242 9.199 11.991 -2.456 1.00 0.00 N ATOM 1381 CA SER A 242 8.831 12.020 -1.045 1.00 0.00 C ATOM 1382 C SER A 242 8.506 10.617 -0.540 1.00 0.00 C ATOM 1383 O SER A 242 8.881 10.242 0.572 1.00 0.00 O ATOM 1384 CB SER A 242 7.632 12.943 -0.827 1.00 0.00 C ATOM 1385 OG SER A 242 7.517 13.318 0.535 1.00 0.00 O ATOM 0 H SER A 242 8.613 12.571 -3.056 1.00 0.00 H new ATOM 0 HA SER A 242 9.682 12.403 -0.481 1.00 0.00 H new ATOM 0 HB2 SER A 242 7.739 13.835 -1.445 1.00 0.00 H new ATOM 0 HB3 SER A 242 6.719 12.440 -1.147 1.00 0.00 H new ATOM 0 HG SER A 242 6.744 13.909 0.647 1.00 0.00 H new ATOM 1391 N LEU A 243 7.806 9.846 -1.365 1.00 0.00 N ATOM 1392 CA LEU A 243 7.429 8.484 -1.004 1.00 0.00 C ATOM 1393 C LEU A 243 8.664 7.632 -0.727 1.00 0.00 C ATOM 1394 O LEU A 243 8.738 6.940 0.288 1.00 0.00 O ATOM 1395 CB LEU A 243 6.599 7.850 -2.121 1.00 0.00 C ATOM 1396 CG LEU A 243 5.107 8.185 -2.121 1.00 0.00 C ATOM 1397 CD1 LEU A 243 4.492 7.886 -3.479 1.00 0.00 C ATOM 1398 CD2 LEU A 243 4.387 7.410 -1.026 1.00 0.00 C ATOM 0 H LEU A 243 7.488 10.141 -2.288 1.00 0.00 H new ATOM 0 HA LEU A 243 6.829 8.529 -0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 243 7.020 8.157 -3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 243 6.708 6.767 -2.058 1.00 0.00 H new ATOM 0 HG LEU A 243 4.994 9.250 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 243 3.430 8.131 -3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 243 4.988 8.485 -4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 243 4.616 6.828 -3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 243 3.326 7.660 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 243 4.510 6.340 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 243 4.809 7.674 -0.056 1.00 0.00 H new ATOM 1410 N ARG A 244 9.632 7.690 -1.636 1.00 0.00 N ATOM 1411 CA ARG A 244 10.864 6.925 -1.490 1.00 0.00 C ATOM 1412 C ARG A 244 11.543 7.237 -0.159 1.00 0.00 C ATOM 1413 O ARG A 244 11.934 6.332 0.579 1.00 0.00 O ATOM 1414 CB ARG A 244 11.820 7.230 -2.645 1.00 0.00 C ATOM 1415 CG ARG A 244 11.503 6.459 -3.916 1.00 0.00 C ATOM 1416 CD ARG A 244 12.706 6.399 -4.845 1.00 0.00 C ATOM 1417 NE ARG A 244 13.810 5.641 -4.263 1.00 0.00 N ATOM 1418 CZ ARG A 244 14.995 5.502 -4.847 1.00 0.00 C ATOM 1419 NH1 ARG A 244 15.228 6.066 -6.024 1.00 0.00 N ATOM 1420 NH2 ARG A 244 15.950 4.796 -4.254 1.00 0.00 N ATOM 0 H ARG A 244 9.587 8.259 -2.481 1.00 0.00 H new ATOM 0 HA ARG A 244 10.608 5.866 -1.509 1.00 0.00 H new ATOM 0 HB2 ARG A 244 11.788 8.298 -2.860 1.00 0.00 H new ATOM 0 HB3 ARG A 244 12.839 6.998 -2.334 1.00 0.00 H new ATOM 0 HG2 ARG A 244 11.188 5.447 -3.660 1.00 0.00 H new ATOM 0 HG3 ARG A 244 10.667 6.932 -4.431 1.00 0.00 H new ATOM 0 HD2 ARG A 244 12.412 5.943 -5.790 1.00 0.00 H new ATOM 0 HD3 ARG A 244 13.041 7.412 -5.070 1.00 0.00 H new ATOM 0 HE ARG A 244 13.663 5.194 -3.358 1.00 0.00 H new ATOM 0 HH11 ARG A 244 14.496 6.608 -6.483 1.00 0.00 H new ATOM 0 HH12 ARG A 244 16.139 5.958 -6.470 1.00 0.00 H new ATOM 0 HH21 ARG A 244 15.774 4.360 -3.349 1.00 0.00 H new ATOM 0 HH22 ARG A 244 16.860 4.690 -4.703 1.00 0.00 H new ATOM 1434 N THR A 245 11.681 8.524 0.142 1.00 0.00 N ATOM 1435 CA THR A 245 12.313 8.956 1.382 1.00 0.00 C ATOM 1436 C THR A 245 11.594 8.379 2.596 1.00 0.00 C ATOM 1437 O THR A 245 12.230 7.908 3.539 1.00 0.00 O ATOM 1438 CB THR A 245 12.336 10.492 1.496 1.00 0.00 C ATOM 1439 OG1 THR A 245 12.954 11.060 0.336 1.00 0.00 O ATOM 1440 CG2 THR A 245 13.087 10.931 2.743 1.00 0.00 C ATOM 0 H THR A 245 11.363 9.286 -0.457 1.00 0.00 H new ATOM 0 HA THR A 245 13.338 8.585 1.360 1.00 0.00 H new ATOM 0 HB THR A 245 11.307 10.844 1.568 1.00 0.00 H new ATOM 0 HG1 THR A 245 12.326 11.031 -0.416 1.00 0.00 H new ATOM 0 HG21 THR A 245 13.090 12.019 2.802 1.00 0.00 H new ATOM 0 HG22 THR A 245 12.597 10.521 3.626 1.00 0.00 H new ATOM 0 HG23 THR A 245 14.114 10.568 2.696 1.00 0.00 H new ATOM 1448 N SER A 246 10.266 8.417 2.565 1.00 0.00 N ATOM 1449 CA SER A 246 9.461 7.900 3.665 1.00 0.00 C ATOM 1450 C SER A 246 9.498 6.375 3.695 1.00 0.00 C ATOM 1451 O SER A 246 9.376 5.760 4.756 1.00 0.00 O ATOM 1452 CB SER A 246 8.015 8.384 3.538 1.00 0.00 C ATOM 1453 OG SER A 246 7.182 7.760 4.500 1.00 0.00 O ATOM 0 H SER A 246 9.725 8.800 1.790 1.00 0.00 H new ATOM 0 HA SER A 246 9.882 8.275 4.598 1.00 0.00 H new ATOM 0 HB2 SER A 246 7.978 9.466 3.667 1.00 0.00 H new ATOM 0 HB3 SER A 246 7.643 8.169 2.536 1.00 0.00 H new ATOM 0 HG SER A 246 6.264 8.087 4.399 1.00 0.00 H new ATOM 1459 N LEU A 247 9.667 5.771 2.525 1.00 0.00 N ATOM 1460 CA LEU A 247 9.720 4.317 2.415 1.00 0.00 C ATOM 1461 C LEU A 247 10.390 3.703 3.640 1.00 0.00 C ATOM 1462 O LEU A 247 11.385 4.224 4.144 1.00 0.00 O ATOM 1463 CB LEU A 247 10.475 3.909 1.148 1.00 0.00 C ATOM 1464 CG LEU A 247 10.402 2.429 0.771 1.00 0.00 C ATOM 1465 CD1 LEU A 247 10.795 2.229 -0.684 1.00 0.00 C ATOM 1466 CD2 LEU A 247 11.294 1.601 1.685 1.00 0.00 C ATOM 0 H LEU A 247 9.770 6.265 1.638 1.00 0.00 H new ATOM 0 HA LEU A 247 8.698 3.944 2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 247 10.089 4.495 0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 247 11.523 4.181 1.270 1.00 0.00 H new ATOM 0 HG LEU A 247 9.373 2.092 0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 247 10.737 1.170 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 247 10.116 2.791 -1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 247 11.814 2.583 -0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 247 11.229 0.550 1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 247 12.326 1.940 1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 247 10.966 1.719 2.718 1.00 0.00 H new ATOM 1478 N LYS A 248 9.840 2.590 4.113 1.00 0.00 N ATOM 1479 CA LYS A 248 10.385 1.900 5.276 1.00 0.00 C ATOM 1480 C LYS A 248 10.648 0.431 4.965 1.00 0.00 C ATOM 1481 O LYS A 248 9.833 -0.232 4.323 1.00 0.00 O ATOM 1482 CB LYS A 248 9.424 2.018 6.461 1.00 0.00 C ATOM 1483 CG LYS A 248 9.654 3.256 7.311 1.00 0.00 C ATOM 1484 CD LYS A 248 10.969 3.176 8.067 1.00 0.00 C ATOM 1485 CE LYS A 248 10.782 2.570 9.449 1.00 0.00 C ATOM 1486 NZ LYS A 248 10.990 1.095 9.440 1.00 0.00 N ATOM 0 H LYS A 248 9.016 2.146 3.708 1.00 0.00 H new ATOM 0 HA LYS A 248 11.332 2.372 5.536 1.00 0.00 H new ATOM 0 HB2 LYS A 248 8.400 2.029 6.088 1.00 0.00 H new ATOM 0 HB3 LYS A 248 9.525 1.133 7.089 1.00 0.00 H new ATOM 0 HG2 LYS A 248 9.652 4.141 6.675 1.00 0.00 H new ATOM 0 HG3 LYS A 248 8.833 3.371 8.019 1.00 0.00 H new ATOM 0 HD2 LYS A 248 11.680 2.576 7.499 1.00 0.00 H new ATOM 0 HD3 LYS A 248 11.397 4.174 8.161 1.00 0.00 H new ATOM 0 HE2 LYS A 248 11.482 3.031 10.146 1.00 0.00 H new ATOM 0 HE3 LYS A 248 9.778 2.793 9.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 248 10.145 0.623 9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 248 11.156 0.774 8.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 248 11.814 0.857 10.028 1.00 0.00 H new ATOM 1500 N GLU A 249 11.789 -0.073 5.425 1.00 0.00 N ATOM 1501 CA GLU A 249 12.157 -1.465 5.195 1.00 0.00 C ATOM 1502 C GLU A 249 12.269 -2.223 6.514 1.00 0.00 C ATOM 1503 O GLU A 249 12.850 -1.727 7.480 1.00 0.00 O ATOM 1504 CB GLU A 249 13.482 -1.546 4.433 1.00 0.00 C ATOM 1505 CG GLU A 249 13.408 -0.985 3.023 1.00 0.00 C ATOM 1506 CD GLU A 249 14.730 -0.405 2.556 1.00 0.00 C ATOM 1507 OE1 GLU A 249 15.393 0.283 3.360 1.00 0.00 O ATOM 1508 OE2 GLU A 249 15.100 -0.639 1.387 1.00 0.00 O ATOM 0 H GLU A 249 12.474 0.462 5.959 1.00 0.00 H new ATOM 0 HA GLU A 249 11.373 -1.927 4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 249 14.246 -1.005 4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 249 13.801 -2.587 4.385 1.00 0.00 H new ATOM 0 HG2 GLU A 249 13.099 -1.774 2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 249 12.642 -0.211 2.984 1.00 0.00 H new ATOM 1515 N ILE A 250 11.709 -3.428 6.547 1.00 0.00 N ATOM 1516 CA ILE A 250 11.747 -4.254 7.746 1.00 0.00 C ATOM 1517 C ILE A 250 12.242 -5.661 7.429 1.00 0.00 C ATOM 1518 O ILE A 250 12.295 -6.065 6.268 1.00 0.00 O ATOM 1519 CB ILE A 250 10.360 -4.348 8.409 1.00 0.00 C ATOM 1520 CG1 ILE A 250 9.357 -5.000 7.454 1.00 0.00 C ATOM 1521 CG2 ILE A 250 9.879 -2.967 8.828 1.00 0.00 C ATOM 1522 CD1 ILE A 250 8.010 -5.273 8.086 1.00 0.00 C ATOM 0 H ILE A 250 11.224 -3.853 5.757 1.00 0.00 H new ATOM 0 HA ILE A 250 12.440 -3.774 8.437 1.00 0.00 H new ATOM 0 HB ILE A 250 10.441 -4.970 9.301 1.00 0.00 H new ATOM 0 HG12 ILE A 250 9.218 -4.353 6.588 1.00 0.00 H new ATOM 0 HG13 ILE A 250 9.774 -5.938 7.087 1.00 0.00 H new ATOM 0 HG21 ILE A 250 8.898 -3.050 9.295 1.00 0.00 H new ATOM 0 HG22 ILE A 250 10.584 -2.536 9.539 1.00 0.00 H new ATOM 0 HG23 ILE A 250 9.810 -2.324 7.951 1.00 0.00 H new ATOM 0 HD11 ILE A 250 7.350 -5.735 7.352 1.00 0.00 H new ATOM 0 HD12 ILE A 250 8.136 -5.945 8.935 1.00 0.00 H new ATOM 0 HD13 ILE A 250 7.572 -4.335 8.428 1.00 0.00 H new