USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 467 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 219 THR OG1 : rot -43:sc= 0.774 USER MOD Set 1.2: A 222 GLN : amide:sc= -0.664 K(o=0.11,f=-3.2!) USER MOD Set 2.1: A 194 THR OG1 : rot 166:sc= 0.78 USER MOD Set 2.2: A 209 MET CE :methyl -158:sc= -7.2! (180deg=-8.35!) USER MOD Single : A 171 GLN : amide:sc= -0.148 K(o=-0.15,f=-1) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 173 SER OG : rot 180:sc= 0.00566 USER MOD Single : A 174 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 175 GLN : amide:sc= -0.0533 X(o=-0.053,f=0.14) USER MOD Single : A 176 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 177 ASN : amide:sc=-0.00373 X(o=-0.0037,f=-0.032) USER MOD Single : A 180 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 184 ASN : amide:sc= -0.181 K(o=-0.18,f=-1.7!) USER MOD Single : A 186 THR OG1 : rot -99:sc= 0.404 USER MOD Single : A 188 LYS NZ :NH3+ -149:sc= -0.262 (180deg=-1.21!) USER MOD Single : A 189 GLN :FLIP amide:sc= -0.174 F(o=-2.3!,f=-0.17) USER MOD Single : A 190 HIS : no HD1:sc= -0.354 K(o=-0.35,f=-3.8!) USER MOD Single : A 191 THR OG1 : rot -91:sc= 1.26 USER MOD Single : A 193 THR OG1 : rot 64:sc= 1.23 USER MOD Single : A 195 THR OG1 : rot 63:sc= 1.16 USER MOD Single : A 196 THR OG1 : rot 10:sc= 0.724 USER MOD Single : A 197 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0753) USER MOD Single : A 200 ASN : amide:sc= -0.464 X(o=-0.46,f=-0.2) USER MOD Single : A 202 THR OG1 : rot 180:sc= 0 USER MOD Single : A 204 THR OG1 : rot 180:sc= 0.00296 USER MOD Single : A 207 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.23) USER MOD Single : A 215 GLN : amide:sc= -0.406 X(o=-0.41,f=-0.13) USER MOD Single : A 216 MET CE :methyl -150:sc= -2.89! (180deg=-6.09!) USER MOD Single : A 220 GLN :FLIP amide:sc= -0.175 F(o=-1,f=-0.17) USER MOD Single : A 221 TYR OH : rot 180:sc= 0 USER MOD Single : A 225 SER OG : rot -78:sc= 0.715 USER MOD Single : A 226 GLN :FLIP amide:sc= -0.0262 F(o=-3.5!,f=-0.026) 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 16.038 3.458 0.744 1.00 0.00 N ATOM 40 CA VAL A 169 14.720 4.071 0.650 1.00 0.00 C ATOM 41 C VAL A 169 14.264 4.145 -0.799 1.00 0.00 C ATOM 42 O VAL A 169 13.497 5.033 -1.175 1.00 0.00 O ATOM 43 CB VAL A 169 14.662 5.497 1.239 1.00 0.00 C ATOM 44 CG1 VAL A 169 14.998 5.534 2.723 1.00 0.00 C ATOM 45 CG2 VAL A 169 15.588 6.421 0.474 1.00 0.00 C ATOM 0 HA VAL A 169 14.062 3.431 1.238 1.00 0.00 H new ATOM 0 HB VAL A 169 13.633 5.840 1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 169 14.942 6.561 3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 169 14.287 4.917 3.273 1.00 0.00 H new ATOM 0 HG13 VAL A 169 16.006 5.150 2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 169 15.536 7.423 0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 169 16.611 6.050 0.542 1.00 0.00 H new ATOM 0 HG23 VAL A 169 15.284 6.456 -0.572 1.00 0.00 H new ATOM 55 N ASP A 170 14.751 3.218 -1.616 1.00 0.00 N ATOM 56 CA ASP A 170 14.372 3.151 -3.027 1.00 0.00 C ATOM 57 C ASP A 170 12.865 2.954 -3.195 1.00 0.00 C ATOM 58 O ASP A 170 12.353 2.928 -4.312 1.00 0.00 O ATOM 59 CB ASP A 170 15.140 2.037 -3.739 1.00 0.00 C ATOM 60 CG ASP A 170 15.181 0.758 -2.935 1.00 0.00 C ATOM 61 OD1 ASP A 170 16.125 0.597 -2.135 1.00 0.00 O ATOM 62 OD2 ASP A 170 14.273 -0.084 -3.083 1.00 0.00 O ATOM 0 H ASP A 170 15.413 2.498 -1.326 1.00 0.00 H new ATOM 0 HA ASP A 170 14.635 4.105 -3.484 1.00 0.00 H new ATOM 0 HB2 ASP A 170 14.676 1.840 -4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 170 16.159 2.371 -3.937 1.00 0.00 H new ATOM 67 N GLN A 171 12.168 2.812 -2.072 1.00 0.00 N ATOM 68 CA GLN A 171 10.713 2.904 -2.032 1.00 0.00 C ATOM 69 C GLN A 171 10.260 4.254 -2.609 1.00 0.00 C ATOM 70 O GLN A 171 9.152 4.386 -3.123 1.00 0.00 O ATOM 71 CB GLN A 171 10.232 2.739 -0.578 1.00 0.00 C ATOM 72 CG GLN A 171 10.498 1.355 -0.003 1.00 0.00 C ATOM 73 CD GLN A 171 9.885 0.236 -0.821 1.00 0.00 C ATOM 74 OE1 GLN A 171 8.837 0.399 -1.442 1.00 0.00 O ATOM 75 NE2 GLN A 171 10.545 -0.910 -0.835 1.00 0.00 N ATOM 0 H GLN A 171 12.596 2.630 -1.164 1.00 0.00 H new ATOM 0 HA GLN A 171 10.276 2.110 -2.638 1.00 0.00 H new ATOM 0 HB2 GLN A 171 10.726 3.484 0.046 1.00 0.00 H new ATOM 0 HB3 GLN A 171 9.162 2.943 -0.532 1.00 0.00 H new ATOM 0 HG2 GLN A 171 11.575 1.198 0.064 1.00 0.00 H new ATOM 0 HG3 GLN A 171 10.105 1.310 1.013 1.00 0.00 H new ATOM 0 HE21 GLN A 171 11.412 -1.006 -0.306 1.00 0.00 H new ATOM 0 HE22 GLN A 171 10.187 -1.698 -1.375 1.00 0.00 H new ATOM 84 N TYR A 172 11.149 5.243 -2.523 1.00 0.00 N ATOM 85 CA TYR A 172 10.921 6.571 -3.087 1.00 0.00 C ATOM 86 C TYR A 172 11.592 6.700 -4.454 1.00 0.00 C ATOM 87 O TYR A 172 10.991 7.179 -5.416 1.00 0.00 O ATOM 88 CB TYR A 172 11.481 7.629 -2.129 1.00 0.00 C ATOM 89 CG TYR A 172 11.532 9.038 -2.688 1.00 0.00 C ATOM 90 CD1 TYR A 172 10.391 9.825 -2.763 1.00 0.00 C ATOM 91 CD2 TYR A 172 12.732 9.583 -3.133 1.00 0.00 C ATOM 92 CE1 TYR A 172 10.440 11.110 -3.266 1.00 0.00 C ATOM 93 CE2 TYR A 172 12.789 10.868 -3.638 1.00 0.00 C ATOM 94 CZ TYR A 172 11.641 11.626 -3.701 1.00 0.00 C ATOM 95 OH TYR A 172 11.696 12.906 -4.200 1.00 0.00 O ATOM 0 H TYR A 172 12.051 5.144 -2.058 1.00 0.00 H new ATOM 0 HA TYR A 172 9.849 6.721 -3.217 1.00 0.00 H new ATOM 0 HB2 TYR A 172 10.874 7.635 -1.224 1.00 0.00 H new ATOM 0 HB3 TYR A 172 12.488 7.334 -1.835 1.00 0.00 H new ATOM 0 HD1 TYR A 172 9.448 9.425 -2.422 1.00 0.00 H new ATOM 0 HD2 TYR A 172 13.634 8.992 -3.083 1.00 0.00 H new ATOM 0 HE1 TYR A 172 9.542 11.707 -3.318 1.00 0.00 H new ATOM 0 HE2 TYR A 172 13.728 11.275 -3.981 1.00 0.00 H new ATOM 0 HH TYR A 172 12.617 13.116 -4.461 1.00 0.00 H new ATOM 105 N SER A 173 12.852 6.284 -4.522 1.00 0.00 N ATOM 106 CA SER A 173 13.642 6.392 -5.741 1.00 0.00 C ATOM 107 C SER A 173 12.984 5.656 -6.914 1.00 0.00 C ATOM 108 O SER A 173 12.913 6.186 -8.023 1.00 0.00 O ATOM 109 CB SER A 173 15.044 5.838 -5.488 1.00 0.00 C ATOM 110 OG SER A 173 15.576 6.363 -4.281 1.00 0.00 O ATOM 0 H SER A 173 13.351 5.865 -3.738 1.00 0.00 H new ATOM 0 HA SER A 173 13.704 7.445 -6.014 1.00 0.00 H new ATOM 0 HB2 SER A 173 15.007 4.750 -5.433 1.00 0.00 H new ATOM 0 HB3 SER A 173 15.698 6.093 -6.322 1.00 0.00 H new ATOM 0 HG SER A 173 16.473 5.997 -4.133 1.00 0.00 H new ATOM 116 N ASN A 174 12.481 4.455 -6.656 1.00 0.00 N ATOM 117 CA ASN A 174 11.876 3.623 -7.698 1.00 0.00 C ATOM 118 C ASN A 174 10.398 3.928 -7.882 1.00 0.00 C ATOM 119 O ASN A 174 9.658 3.083 -8.363 1.00 0.00 O ATOM 120 CB ASN A 174 12.014 2.130 -7.375 1.00 0.00 C ATOM 121 CG ASN A 174 13.386 1.559 -7.678 1.00 0.00 C ATOM 122 OD1 ASN A 174 14.405 2.240 -7.561 1.00 0.00 O ATOM 123 ND2 ASN A 174 13.417 0.294 -8.075 1.00 0.00 N ATOM 0 H ASN A 174 12.479 4.030 -5.729 1.00 0.00 H new ATOM 0 HA ASN A 174 12.414 3.858 -8.617 1.00 0.00 H new ATOM 0 HB2 ASN A 174 11.792 1.975 -6.319 1.00 0.00 H new ATOM 0 HB3 ASN A 174 11.267 1.575 -7.943 1.00 0.00 H new ATOM 0 HD21 ASN A 174 14.309 -0.149 -8.296 1.00 0.00 H new ATOM 0 HD22 ASN A 174 12.549 -0.236 -8.159 1.00 0.00 H new ATOM 130 N GLN A 175 9.998 5.150 -7.530 1.00 0.00 N ATOM 131 CA GLN A 175 8.589 5.507 -7.301 1.00 0.00 C ATOM 132 C GLN A 175 7.612 4.880 -8.296 1.00 0.00 C ATOM 133 O GLN A 175 6.688 4.192 -7.882 1.00 0.00 O ATOM 134 CB GLN A 175 8.418 7.025 -7.339 1.00 0.00 C ATOM 135 CG GLN A 175 7.026 7.493 -6.938 1.00 0.00 C ATOM 136 CD GLN A 175 6.732 7.251 -5.473 1.00 0.00 C ATOM 137 OE1 GLN A 175 7.632 7.275 -4.641 1.00 0.00 O ATOM 138 NE2 GLN A 175 5.468 7.027 -5.145 1.00 0.00 N ATOM 0 H GLN A 175 10.643 5.928 -7.394 1.00 0.00 H new ATOM 0 HA GLN A 175 8.345 5.104 -6.318 1.00 0.00 H new ATOM 0 HB2 GLN A 175 9.151 7.481 -6.674 1.00 0.00 H new ATOM 0 HB3 GLN A 175 8.636 7.381 -8.346 1.00 0.00 H new ATOM 0 HG2 GLN A 175 6.928 8.557 -7.154 1.00 0.00 H new ATOM 0 HG3 GLN A 175 6.283 6.975 -7.545 1.00 0.00 H new ATOM 0 HE21 GLN A 175 4.748 7.015 -5.867 1.00 0.00 H new ATOM 0 HE22 GLN A 175 5.215 6.867 -4.170 1.00 0.00 H new ATOM 147 N ASN A 176 7.795 5.108 -9.591 1.00 0.00 N ATOM 148 CA ASN A 176 6.822 4.624 -10.572 1.00 0.00 C ATOM 149 C ASN A 176 6.831 3.098 -10.667 1.00 0.00 C ATOM 150 O ASN A 176 5.771 2.469 -10.697 1.00 0.00 O ATOM 151 CB ASN A 176 7.071 5.254 -11.942 1.00 0.00 C ATOM 152 CG ASN A 176 5.944 4.976 -12.919 1.00 0.00 C ATOM 153 OD1 ASN A 176 4.912 5.644 -12.893 1.00 0.00 O ATOM 154 ND2 ASN A 176 6.140 4.014 -13.803 1.00 0.00 N ATOM 0 H ASN A 176 8.589 5.613 -9.984 1.00 0.00 H new ATOM 0 HA ASN A 176 5.833 4.927 -10.230 1.00 0.00 H new ATOM 0 HB2 ASN A 176 7.191 6.331 -11.827 1.00 0.00 H new ATOM 0 HB3 ASN A 176 8.006 4.871 -12.351 1.00 0.00 H new ATOM 0 HD21 ASN A 176 5.421 3.804 -14.496 1.00 0.00 H new ATOM 0 HD22 ASN A 176 7.010 3.481 -13.793 1.00 0.00 H new ATOM 161 N ASN A 177 8.021 2.502 -10.692 1.00 0.00 N ATOM 162 CA ASN A 177 8.144 1.041 -10.699 1.00 0.00 C ATOM 163 C ASN A 177 7.577 0.480 -9.405 1.00 0.00 C ATOM 164 O ASN A 177 6.900 -0.549 -9.391 1.00 0.00 O ATOM 165 CB ASN A 177 9.610 0.606 -10.836 1.00 0.00 C ATOM 166 CG ASN A 177 10.290 1.169 -12.067 1.00 0.00 C ATOM 167 OD1 ASN A 177 10.894 2.241 -12.020 1.00 0.00 O ATOM 168 ND2 ASN A 177 10.194 0.458 -13.180 1.00 0.00 N ATOM 0 H ASN A 177 8.910 3.002 -10.708 1.00 0.00 H new ATOM 0 HA ASN A 177 7.588 0.657 -11.555 1.00 0.00 H new ATOM 0 HB2 ASN A 177 10.160 0.922 -9.949 1.00 0.00 H new ATOM 0 HB3 ASN A 177 9.657 -0.482 -10.869 1.00 0.00 H new ATOM 0 HD21 ASN A 177 10.629 0.794 -14.039 1.00 0.00 H new ATOM 0 HD22 ASN A 177 9.685 -0.426 -13.178 1.00 0.00 H new ATOM 175 N PHE A 178 7.861 1.195 -8.326 1.00 0.00 N ATOM 176 CA PHE A 178 7.366 0.871 -7.001 1.00 0.00 C ATOM 177 C PHE A 178 5.847 0.775 -6.995 1.00 0.00 C ATOM 178 O PHE A 178 5.282 -0.161 -6.434 1.00 0.00 O ATOM 179 CB PHE A 178 7.864 1.934 -6.006 1.00 0.00 C ATOM 180 CG PHE A 178 6.912 2.246 -4.886 1.00 0.00 C ATOM 181 CD1 PHE A 178 5.928 3.208 -5.052 1.00 0.00 C ATOM 182 CD2 PHE A 178 7.002 1.590 -3.675 1.00 0.00 C ATOM 183 CE1 PHE A 178 5.048 3.502 -4.038 1.00 0.00 C ATOM 184 CE2 PHE A 178 6.123 1.882 -2.654 1.00 0.00 C ATOM 185 CZ PHE A 178 5.145 2.837 -2.839 1.00 0.00 C ATOM 0 H PHE A 178 8.450 2.027 -8.349 1.00 0.00 H new ATOM 0 HA PHE A 178 7.748 -0.104 -6.700 1.00 0.00 H new ATOM 0 HB2 PHE A 178 8.808 1.596 -5.578 1.00 0.00 H new ATOM 0 HB3 PHE A 178 8.073 2.853 -6.553 1.00 0.00 H new ATOM 0 HD1 PHE A 178 5.852 3.734 -5.992 1.00 0.00 H new ATOM 0 HD2 PHE A 178 7.767 0.842 -3.526 1.00 0.00 H new ATOM 0 HE1 PHE A 178 4.284 4.252 -4.183 1.00 0.00 H new ATOM 0 HE2 PHE A 178 6.200 1.363 -1.710 1.00 0.00 H new ATOM 0 HZ PHE A 178 4.454 3.063 -2.040 1.00 0.00 H new ATOM 195 N VAL A 179 5.189 1.741 -7.626 1.00 0.00 N ATOM 196 CA VAL A 179 3.734 1.754 -7.680 1.00 0.00 C ATOM 197 C VAL A 179 3.228 0.509 -8.399 1.00 0.00 C ATOM 198 O VAL A 179 2.267 -0.118 -7.965 1.00 0.00 O ATOM 199 CB VAL A 179 3.175 3.029 -8.366 1.00 0.00 C ATOM 200 CG1 VAL A 179 1.650 3.055 -8.304 1.00 0.00 C ATOM 201 CG2 VAL A 179 3.735 4.282 -7.713 1.00 0.00 C ATOM 0 H VAL A 179 5.638 2.521 -8.105 1.00 0.00 H new ATOM 0 HA VAL A 179 3.374 1.759 -6.651 1.00 0.00 H new ATOM 0 HB VAL A 179 3.485 3.006 -9.411 1.00 0.00 H new ATOM 0 HG11 VAL A 179 1.281 3.958 -8.791 1.00 0.00 H new ATOM 0 HG12 VAL A 179 1.250 2.179 -8.814 1.00 0.00 H new ATOM 0 HG13 VAL A 179 1.328 3.047 -7.263 1.00 0.00 H new ATOM 0 HG21 VAL A 179 3.330 5.163 -8.210 1.00 0.00 H new ATOM 0 HG22 VAL A 179 3.456 4.299 -6.659 1.00 0.00 H new ATOM 0 HG23 VAL A 179 4.821 4.284 -7.801 1.00 0.00 H new ATOM 211 N HIS A 180 3.898 0.121 -9.469 1.00 0.00 N ATOM 212 CA HIS A 180 3.506 -1.078 -10.192 1.00 0.00 C ATOM 213 C HIS A 180 3.733 -2.329 -9.348 1.00 0.00 C ATOM 214 O HIS A 180 2.787 -3.043 -9.024 1.00 0.00 O ATOM 215 CB HIS A 180 4.269 -1.200 -11.511 1.00 0.00 C ATOM 216 CG HIS A 180 3.779 -0.283 -12.587 1.00 0.00 C ATOM 217 ND1 HIS A 180 4.541 0.765 -13.047 1.00 0.00 N ATOM 218 CD2 HIS A 180 2.619 -0.325 -13.284 1.00 0.00 C ATOM 219 CE1 HIS A 180 3.834 1.330 -14.010 1.00 0.00 C ATOM 220 NE2 HIS A 180 2.662 0.703 -14.189 1.00 0.00 N ATOM 0 H HIS A 180 4.706 0.610 -9.854 1.00 0.00 H new ATOM 0 HA HIS A 180 2.441 -0.991 -10.410 1.00 0.00 H new ATOM 0 HB2 HIS A 180 5.324 -0.997 -11.328 1.00 0.00 H new ATOM 0 HB3 HIS A 180 4.199 -2.228 -11.865 1.00 0.00 H new ATOM 0 HD2 HIS A 180 1.814 -1.033 -13.152 1.00 0.00 H new ATOM 0 HE1 HIS A 180 4.159 2.188 -14.580 1.00 0.00 H new ATOM 0 HE2 HIS A 180 1.941 0.945 -14.869 1.00 0.00 H new ATOM 227 N ASP A 181 4.978 -2.568 -8.959 1.00 0.00 N ATOM 228 CA ASP A 181 5.339 -3.805 -8.267 1.00 0.00 C ATOM 229 C ASP A 181 4.664 -3.917 -6.907 1.00 0.00 C ATOM 230 O ASP A 181 4.025 -4.927 -6.605 1.00 0.00 O ATOM 231 CB ASP A 181 6.858 -3.907 -8.082 1.00 0.00 C ATOM 232 CG ASP A 181 7.605 -4.104 -9.384 1.00 0.00 C ATOM 233 OD1 ASP A 181 7.248 -5.033 -10.143 1.00 0.00 O ATOM 234 OD2 ASP A 181 8.564 -3.349 -9.648 1.00 0.00 O ATOM 0 H ASP A 181 5.756 -1.925 -9.109 1.00 0.00 H new ATOM 0 HA ASP A 181 4.990 -4.625 -8.895 1.00 0.00 H new ATOM 0 HB2 ASP A 181 7.220 -3.001 -7.596 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.081 -4.738 -7.413 1.00 0.00 H new ATOM 239 N CYS A 182 4.796 -2.879 -6.096 1.00 0.00 N ATOM 240 CA CYS A 182 4.328 -2.935 -4.721 1.00 0.00 C ATOM 241 C CYS A 182 2.813 -2.945 -4.668 1.00 0.00 C ATOM 242 O CYS A 182 2.233 -3.779 -3.974 1.00 0.00 O ATOM 243 CB CYS A 182 4.907 -1.770 -3.900 1.00 0.00 C ATOM 244 SG CYS A 182 4.736 -1.963 -2.095 1.00 0.00 S ATOM 0 H CYS A 182 5.221 -1.992 -6.365 1.00 0.00 H new ATOM 0 HA CYS A 182 4.683 -3.865 -4.276 1.00 0.00 H new ATOM 0 HB2 CYS A 182 5.964 -1.660 -4.143 1.00 0.00 H new ATOM 0 HB3 CYS A 182 4.413 -0.847 -4.203 1.00 0.00 H new ATOM 249 N VAL A 183 2.158 -2.059 -5.411 1.00 0.00 N ATOM 250 CA VAL A 183 0.704 -2.002 -5.366 1.00 0.00 C ATOM 251 C VAL A 183 0.116 -3.292 -5.913 1.00 0.00 C ATOM 252 O VAL A 183 -0.916 -3.756 -5.443 1.00 0.00 O ATOM 253 CB VAL A 183 0.145 -0.783 -6.124 1.00 0.00 C ATOM 254 CG1 VAL A 183 -1.376 -0.750 -6.077 1.00 0.00 C ATOM 255 CG2 VAL A 183 0.727 0.485 -5.535 1.00 0.00 C ATOM 0 H VAL A 183 2.599 -1.386 -6.037 1.00 0.00 H new ATOM 0 HA VAL A 183 0.410 -1.888 -4.323 1.00 0.00 H new ATOM 0 HB VAL A 183 0.435 -0.861 -7.172 1.00 0.00 H new ATOM 0 HG11 VAL A 183 -1.738 0.122 -6.621 1.00 0.00 H new ATOM 0 HG12 VAL A 183 -1.774 -1.655 -6.536 1.00 0.00 H new ATOM 0 HG13 VAL A 183 -1.707 -0.694 -5.040 1.00 0.00 H new ATOM 0 HG21 VAL A 183 0.333 1.349 -6.070 1.00 0.00 H new ATOM 0 HG22 VAL A 183 0.455 0.555 -4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 183 1.813 0.465 -5.629 1.00 0.00 H new ATOM 265 N ASN A 184 0.798 -3.895 -6.876 1.00 0.00 N ATOM 266 CA ASN A 184 0.375 -5.202 -7.372 1.00 0.00 C ATOM 267 C ASN A 184 0.388 -6.235 -6.247 1.00 0.00 C ATOM 268 O ASN A 184 -0.645 -6.818 -5.929 1.00 0.00 O ATOM 269 CB ASN A 184 1.248 -5.698 -8.535 1.00 0.00 C ATOM 270 CG ASN A 184 0.753 -5.220 -9.892 1.00 0.00 C ATOM 271 OD1 ASN A 184 -0.440 -4.982 -10.080 1.00 0.00 O ATOM 272 ND2 ASN A 184 1.659 -5.097 -10.852 1.00 0.00 N ATOM 0 H ASN A 184 1.631 -3.512 -7.324 1.00 0.00 H new ATOM 0 HA ASN A 184 -0.641 -5.080 -7.746 1.00 0.00 H new ATOM 0 HB2 ASN A 184 2.272 -5.355 -8.386 1.00 0.00 H new ATOM 0 HB3 ASN A 184 1.272 -6.788 -8.526 1.00 0.00 H new ATOM 0 HD21 ASN A 184 1.376 -4.796 -11.785 1.00 0.00 H new ATOM 0 HD22 ASN A 184 2.639 -5.303 -10.658 1.00 0.00 H new ATOM 279 N ILE A 185 1.537 -6.424 -5.607 1.00 0.00 N ATOM 280 CA ILE A 185 1.661 -7.432 -4.560 1.00 0.00 C ATOM 281 C ILE A 185 0.747 -7.133 -3.374 1.00 0.00 C ATOM 282 O ILE A 185 0.197 -8.050 -2.766 1.00 0.00 O ATOM 283 CB ILE A 185 3.124 -7.625 -4.083 1.00 0.00 C ATOM 284 CG1 ILE A 185 3.752 -6.332 -3.554 1.00 0.00 C ATOM 285 CG2 ILE A 185 3.969 -8.192 -5.212 1.00 0.00 C ATOM 286 CD1 ILE A 185 3.636 -6.166 -2.051 1.00 0.00 C ATOM 0 H ILE A 185 2.390 -5.897 -5.793 1.00 0.00 H new ATOM 0 HA ILE A 185 1.341 -8.371 -5.011 1.00 0.00 H new ATOM 0 HB ILE A 185 3.097 -8.328 -3.251 1.00 0.00 H new ATOM 0 HG12 ILE A 185 4.806 -6.310 -3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 185 3.276 -5.482 -4.042 1.00 0.00 H new ATOM 0 HG21 ILE A 185 4.995 -8.324 -4.868 1.00 0.00 H new ATOM 0 HG22 ILE A 185 3.563 -9.155 -5.522 1.00 0.00 H new ATOM 0 HG23 ILE A 185 3.956 -7.504 -6.057 1.00 0.00 H new ATOM 0 HD11 ILE A 185 4.103 -5.228 -1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 185 2.584 -6.155 -1.766 1.00 0.00 H new ATOM 0 HD13 ILE A 185 4.137 -6.996 -1.553 1.00 0.00 H new ATOM 298 N THR A 186 0.576 -5.863 -3.046 1.00 0.00 N ATOM 299 CA THR A 186 -0.380 -5.490 -2.006 1.00 0.00 C ATOM 300 C THR A 186 -1.824 -5.732 -2.437 1.00 0.00 C ATOM 301 O THR A 186 -2.668 -6.049 -1.599 1.00 0.00 O ATOM 302 CB THR A 186 -0.200 -4.047 -1.507 1.00 0.00 C ATOM 303 OG1 THR A 186 0.142 -3.181 -2.587 1.00 0.00 O ATOM 304 CG2 THR A 186 0.861 -3.979 -0.417 1.00 0.00 C ATOM 0 H THR A 186 1.075 -5.082 -3.473 1.00 0.00 H new ATOM 0 HA THR A 186 -0.161 -6.149 -1.166 1.00 0.00 H new ATOM 0 HB THR A 186 -1.148 -3.715 -1.084 1.00 0.00 H new ATOM 0 HG1 THR A 186 1.110 -3.028 -2.590 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.971 -2.948 -0.080 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.561 -4.606 0.423 1.00 0.00 H new ATOM 0 HG23 THR A 186 1.812 -4.334 -0.813 1.00 0.00 H new ATOM 312 N VAL A 187 -2.127 -5.590 -3.726 1.00 0.00 N ATOM 313 CA VAL A 187 -3.448 -5.969 -4.211 1.00 0.00 C ATOM 314 C VAL A 187 -3.648 -7.456 -3.987 1.00 0.00 C ATOM 315 O VAL A 187 -4.700 -7.891 -3.511 1.00 0.00 O ATOM 316 CB VAL A 187 -3.673 -5.644 -5.710 1.00 0.00 C ATOM 317 CG1 VAL A 187 -4.889 -6.391 -6.251 1.00 0.00 C ATOM 318 CG2 VAL A 187 -3.861 -4.151 -5.920 1.00 0.00 C ATOM 0 H VAL A 187 -1.492 -5.225 -4.436 1.00 0.00 H new ATOM 0 HA VAL A 187 -4.174 -5.380 -3.650 1.00 0.00 H new ATOM 0 HB VAL A 187 -2.785 -5.969 -6.253 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -5.027 -6.147 -7.304 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -4.734 -7.465 -6.144 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -5.776 -6.096 -5.691 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -4.017 -3.949 -6.980 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -4.728 -3.810 -5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -2.973 -3.621 -5.577 1.00 0.00 H new ATOM 328 N LYS A 188 -2.618 -8.233 -4.313 1.00 0.00 N ATOM 329 CA LYS A 188 -2.630 -9.655 -4.041 1.00 0.00 C ATOM 330 C LYS A 188 -2.886 -9.886 -2.553 1.00 0.00 C ATOM 331 O LYS A 188 -3.754 -10.663 -2.176 1.00 0.00 O ATOM 332 CB LYS A 188 -1.294 -10.296 -4.436 1.00 0.00 C ATOM 333 CG LYS A 188 -1.178 -10.738 -5.895 1.00 0.00 C ATOM 334 CD LYS A 188 -0.780 -9.605 -6.839 1.00 0.00 C ATOM 335 CE LYS A 188 -1.991 -8.925 -7.462 1.00 0.00 C ATOM 336 NZ LYS A 188 -2.895 -9.899 -8.131 1.00 0.00 N ATOM 0 H LYS A 188 -1.768 -7.896 -4.765 1.00 0.00 H new ATOM 0 HA LYS A 188 -3.423 -10.115 -4.630 1.00 0.00 H new ATOM 0 HB2 LYS A 188 -0.495 -9.585 -4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 188 -1.125 -11.163 -3.798 1.00 0.00 H new ATOM 0 HG2 LYS A 188 -0.441 -11.538 -5.968 1.00 0.00 H new ATOM 0 HG3 LYS A 188 -2.132 -11.153 -6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 188 -0.193 -8.868 -6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 188 -0.141 -10.000 -7.629 1.00 0.00 H new ATOM 0 HE2 LYS A 188 -2.543 -8.389 -6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 188 -1.657 -8.183 -8.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 -3.365 -9.439 -8.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 -2.341 -10.711 -8.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 -3.612 -10.229 -7.454 1.00 0.00 H new ATOM 350 N GLN A 189 -2.150 -9.154 -1.725 1.00 0.00 N ATOM 351 CA GLN A 189 -2.264 -9.240 -0.273 1.00 0.00 C ATOM 352 C GLN A 189 -3.692 -8.999 0.202 1.00 0.00 C ATOM 353 O GLN A 189 -4.271 -9.826 0.906 1.00 0.00 O ATOM 354 CB GLN A 189 -1.331 -8.215 0.371 1.00 0.00 C ATOM 355 CG GLN A 189 -1.335 -8.239 1.888 1.00 0.00 C ATOM 356 CD GLN A 189 -0.100 -7.579 2.455 1.00 0.00 C ATOM 357 OE1 GLN A 189 1.003 -7.721 1.741 1.00 0.00 O flip ATOM 358 NE2 GLN A 189 -0.130 -6.968 3.523 1.00 0.00 N flip ATOM 0 H GLN A 189 -1.453 -8.480 -2.043 1.00 0.00 H new ATOM 0 HA GLN A 189 -1.982 -10.250 0.025 1.00 0.00 H new ATOM 0 HB2 GLN A 189 -0.315 -8.393 0.018 1.00 0.00 H new ATOM 0 HB3 GLN A 189 -1.616 -7.218 0.034 1.00 0.00 H new ATOM 0 HG2 GLN A 189 -2.224 -7.729 2.259 1.00 0.00 H new ATOM 0 HG3 GLN A 189 -1.390 -9.270 2.237 1.00 0.00 H new ATOM 0 HE21 GLN A 189 -1.006 -6.885 4.039 1.00 0.00 H new ATOM 0 HE22 GLN A 189 0.721 -6.545 3.892 1.00 0.00 H new ATOM 367 N HIS A 190 -4.257 -7.868 -0.191 1.00 0.00 N ATOM 368 CA HIS A 190 -5.563 -7.459 0.298 1.00 0.00 C ATOM 369 C HIS A 190 -6.650 -8.396 -0.210 1.00 0.00 C ATOM 370 O HIS A 190 -7.506 -8.834 0.558 1.00 0.00 O ATOM 371 CB HIS A 190 -5.861 -6.021 -0.117 1.00 0.00 C ATOM 372 CG HIS A 190 -6.450 -5.191 0.983 1.00 0.00 C ATOM 373 ND1 HIS A 190 -7.557 -4.408 0.778 1.00 0.00 N ATOM 374 CD2 HIS A 190 -6.037 -5.046 2.266 1.00 0.00 C ATOM 375 CE1 HIS A 190 -7.795 -3.804 1.927 1.00 0.00 C ATOM 376 NE2 HIS A 190 -6.898 -4.160 2.863 1.00 0.00 N ATOM 0 H HIS A 190 -3.830 -7.216 -0.849 1.00 0.00 H new ATOM 0 HA HIS A 190 -5.551 -7.511 1.387 1.00 0.00 H new ATOM 0 HB2 HIS A 190 -4.939 -5.552 -0.461 1.00 0.00 H new ATOM 0 HB3 HIS A 190 -6.549 -6.030 -0.962 1.00 0.00 H new ATOM 0 HD2 HIS A 190 -5.192 -5.534 2.729 1.00 0.00 H new ATOM 0 HE1 HIS A 190 -8.607 -3.112 2.094 1.00 0.00 H new ATOM 0 HE2 HIS A 190 -6.864 -3.835 3.829 1.00 0.00 H new ATOM 383 N THR A 191 -6.596 -8.732 -1.493 1.00 0.00 N ATOM 384 CA THR A 191 -7.587 -9.624 -2.077 1.00 0.00 C ATOM 385 C THR A 191 -7.476 -11.035 -1.484 1.00 0.00 C ATOM 386 O THR A 191 -8.481 -11.733 -1.344 1.00 0.00 O ATOM 387 CB THR A 191 -7.484 -9.686 -3.613 1.00 0.00 C ATOM 388 OG1 THR A 191 -6.159 -10.058 -4.014 1.00 0.00 O ATOM 389 CG2 THR A 191 -7.842 -8.344 -4.229 1.00 0.00 C ATOM 0 H THR A 191 -5.882 -8.403 -2.143 1.00 0.00 H new ATOM 0 HA THR A 191 -8.564 -9.211 -1.828 1.00 0.00 H new ATOM 0 HB THR A 191 -8.189 -10.439 -3.966 1.00 0.00 H new ATOM 0 HG1 THR A 191 -5.616 -9.252 -4.137 1.00 0.00 H new ATOM 0 HG21 THR A 191 -7.763 -8.409 -5.314 1.00 0.00 H new ATOM 0 HG22 THR A 191 -8.863 -8.079 -3.955 1.00 0.00 H new ATOM 0 HG23 THR A 191 -7.157 -7.580 -3.861 1.00 0.00 H new ATOM 397 N VAL A 192 -6.254 -11.449 -1.133 1.00 0.00 N ATOM 398 CA VAL A 192 -6.038 -12.724 -0.442 1.00 0.00 C ATOM 399 C VAL A 192 -6.587 -12.660 0.978 1.00 0.00 C ATOM 400 O VAL A 192 -7.231 -13.598 1.448 1.00 0.00 O ATOM 401 CB VAL A 192 -4.541 -13.132 -0.406 1.00 0.00 C ATOM 402 CG1 VAL A 192 -4.308 -14.247 0.611 1.00 0.00 C ATOM 403 CG2 VAL A 192 -4.090 -13.590 -1.785 1.00 0.00 C ATOM 0 H VAL A 192 -5.401 -10.921 -1.316 1.00 0.00 H new ATOM 0 HA VAL A 192 -6.574 -13.485 -1.009 1.00 0.00 H new ATOM 0 HB VAL A 192 -3.957 -12.262 -0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 192 -3.252 -14.517 0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 192 -4.602 -13.903 1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 192 -4.903 -15.118 0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 192 -3.038 -13.874 -1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 192 -4.687 -14.447 -2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 192 -4.222 -12.777 -2.499 1.00 0.00 H new ATOM 413 N THR A 193 -6.349 -11.540 1.650 1.00 0.00 N ATOM 414 CA THR A 193 -6.904 -11.314 2.978 1.00 0.00 C ATOM 415 C THR A 193 -8.429 -11.377 2.920 1.00 0.00 C ATOM 416 O THR A 193 -9.088 -11.877 3.824 1.00 0.00 O ATOM 417 CB THR A 193 -6.457 -9.949 3.544 1.00 0.00 C ATOM 418 OG1 THR A 193 -5.026 -9.855 3.511 1.00 0.00 O ATOM 419 CG2 THR A 193 -6.941 -9.766 4.975 1.00 0.00 C ATOM 0 H THR A 193 -5.775 -10.774 1.297 1.00 0.00 H new ATOM 0 HA THR A 193 -6.531 -12.095 3.640 1.00 0.00 H new ATOM 0 HB THR A 193 -6.895 -9.165 2.926 1.00 0.00 H new ATOM 0 HG1 THR A 193 -4.718 -9.876 2.581 1.00 0.00 H new ATOM 0 HG21 THR A 193 -6.612 -8.796 5.349 1.00 0.00 H new ATOM 0 HG22 THR A 193 -8.030 -9.814 5.000 1.00 0.00 H new ATOM 0 HG23 THR A 193 -6.528 -10.556 5.603 1.00 0.00 H new ATOM 427 N THR A 194 -8.979 -10.885 1.827 1.00 0.00 N ATOM 428 CA THR A 194 -10.403 -10.970 1.592 1.00 0.00 C ATOM 429 C THR A 194 -10.831 -12.397 1.235 1.00 0.00 C ATOM 430 O THR A 194 -11.923 -12.843 1.597 1.00 0.00 O ATOM 431 CB THR A 194 -10.829 -9.983 0.501 1.00 0.00 C ATOM 432 OG1 THR A 194 -10.877 -8.661 1.046 1.00 0.00 O ATOM 433 CG2 THR A 194 -12.175 -10.364 -0.075 1.00 0.00 C ATOM 0 H THR A 194 -8.456 -10.420 1.085 1.00 0.00 H new ATOM 0 HA THR A 194 -10.909 -10.700 2.519 1.00 0.00 H new ATOM 0 HB THR A 194 -10.098 -10.014 -0.307 1.00 0.00 H new ATOM 0 HG1 THR A 194 -10.926 -8.008 0.317 1.00 0.00 H new ATOM 0 HG21 THR A 194 -12.456 -9.648 -0.848 1.00 0.00 H new ATOM 0 HG22 THR A 194 -12.116 -11.362 -0.509 1.00 0.00 H new ATOM 0 HG23 THR A 194 -12.925 -10.357 0.716 1.00 0.00 H new ATOM 441 N THR A 195 -9.973 -13.117 0.537 1.00 0.00 N ATOM 442 CA THR A 195 -10.220 -14.520 0.271 1.00 0.00 C ATOM 443 C THR A 195 -10.347 -15.276 1.595 1.00 0.00 C ATOM 444 O THR A 195 -11.202 -16.148 1.749 1.00 0.00 O ATOM 445 CB THR A 195 -9.092 -15.140 -0.581 1.00 0.00 C ATOM 446 OG1 THR A 195 -8.935 -14.403 -1.802 1.00 0.00 O ATOM 447 CG2 THR A 195 -9.393 -16.595 -0.901 1.00 0.00 C ATOM 0 H THR A 195 -9.103 -12.755 0.146 1.00 0.00 H new ATOM 0 HA THR A 195 -11.149 -14.602 -0.293 1.00 0.00 H new ATOM 0 HB THR A 195 -8.167 -15.093 -0.006 1.00 0.00 H new ATOM 0 HG1 THR A 195 -8.667 -13.483 -1.597 1.00 0.00 H new ATOM 0 HG21 THR A 195 -8.584 -17.010 -1.502 1.00 0.00 H new ATOM 0 HG22 THR A 195 -9.483 -17.160 0.027 1.00 0.00 H new ATOM 0 HG23 THR A 195 -10.328 -16.659 -1.457 1.00 0.00 H new ATOM 455 N THR A 196 -9.520 -14.895 2.562 1.00 0.00 N ATOM 456 CA THR A 196 -9.533 -15.528 3.868 1.00 0.00 C ATOM 457 C THR A 196 -10.530 -14.853 4.818 1.00 0.00 C ATOM 458 O THR A 196 -10.824 -15.379 5.892 1.00 0.00 O ATOM 459 CB THR A 196 -8.122 -15.532 4.494 1.00 0.00 C ATOM 460 OG1 THR A 196 -7.596 -14.203 4.533 1.00 0.00 O ATOM 461 CG2 THR A 196 -7.178 -16.418 3.693 1.00 0.00 C ATOM 0 H THR A 196 -8.832 -14.149 2.462 1.00 0.00 H new ATOM 0 HA THR A 196 -9.855 -16.559 3.720 1.00 0.00 H new ATOM 0 HB THR A 196 -8.205 -15.924 5.508 1.00 0.00 H new ATOM 0 HG1 THR A 196 -8.304 -13.564 4.309 1.00 0.00 H new ATOM 0 HG21 THR A 196 -6.190 -16.406 4.152 1.00 0.00 H new ATOM 0 HG22 THR A 196 -7.560 -17.439 3.681 1.00 0.00 H new ATOM 0 HG23 THR A 196 -7.108 -16.045 2.671 1.00 0.00 H new ATOM 469 N LYS A 197 -11.065 -13.690 4.426 1.00 0.00 N ATOM 470 CA LYS A 197 -12.126 -13.037 5.202 1.00 0.00 C ATOM 471 C LYS A 197 -13.467 -13.744 4.966 1.00 0.00 C ATOM 472 O LYS A 197 -14.537 -13.232 5.302 1.00 0.00 O ATOM 473 CB LYS A 197 -12.219 -11.526 4.871 1.00 0.00 C ATOM 474 CG LYS A 197 -13.138 -11.154 3.705 1.00 0.00 C ATOM 475 CD LYS A 197 -13.010 -9.673 3.348 1.00 0.00 C ATOM 476 CE LYS A 197 -14.060 -9.209 2.336 1.00 0.00 C ATOM 477 NZ LYS A 197 -15.424 -9.189 2.928 1.00 0.00 N ATOM 0 H LYS A 197 -10.784 -13.186 3.585 1.00 0.00 H new ATOM 0 HA LYS A 197 -11.877 -13.119 6.260 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -12.562 -10.999 5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -11.217 -11.160 4.650 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -12.890 -11.763 2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -14.172 -11.379 3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -13.100 -9.077 4.256 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -12.015 -9.487 2.942 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -13.804 -8.212 1.978 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -14.049 -9.871 1.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -16.082 -8.728 2.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -15.739 -10.164 3.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -15.406 -8.661 3.824 1.00 0.00 H new ATOM 491 N GLY A 198 -13.389 -14.937 4.388 1.00 0.00 N ATOM 492 CA GLY A 198 -14.568 -15.737 4.145 1.00 0.00 C ATOM 493 C GLY A 198 -14.911 -15.813 2.677 1.00 0.00 C ATOM 494 O GLY A 198 -15.901 -16.436 2.302 1.00 0.00 O ATOM 0 H GLY A 198 -12.516 -15.366 4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 198 -14.409 -16.743 4.532 1.00 0.00 H new ATOM 0 HA3 GLY A 198 -15.411 -15.315 4.692 1.00 0.00 H new ATOM 498 N GLU A 199 -14.086 -15.174 1.854 1.00 0.00 N ATOM 499 CA GLU A 199 -14.280 -15.147 0.407 1.00 0.00 C ATOM 500 C GLU A 199 -15.639 -14.567 0.051 1.00 0.00 C ATOM 501 O GLU A 199 -16.613 -15.275 -0.211 1.00 0.00 O ATOM 502 CB GLU A 199 -14.074 -16.532 -0.193 1.00 0.00 C ATOM 503 CG GLU A 199 -14.314 -16.618 -1.693 1.00 0.00 C ATOM 504 CD GLU A 199 -14.084 -18.013 -2.241 1.00 0.00 C ATOM 505 OE1 GLU A 199 -12.922 -18.351 -2.550 1.00 0.00 O ATOM 506 OE2 GLU A 199 -15.062 -18.776 -2.374 1.00 0.00 O ATOM 0 H GLU A 199 -13.264 -14.660 2.170 1.00 0.00 H new ATOM 0 HA GLU A 199 -13.527 -14.490 -0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 199 -13.055 -16.856 0.017 1.00 0.00 H new ATOM 0 HB3 GLU A 199 -14.741 -17.233 0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 199 -15.336 -16.310 -1.912 1.00 0.00 H new ATOM 0 HG3 GLU A 199 -13.653 -15.917 -2.204 1.00 0.00 H new ATOM 513 N ASN A 200 -15.673 -13.259 0.060 1.00 0.00 N ATOM 514 CA ASN A 200 -16.884 -12.498 -0.229 1.00 0.00 C ATOM 515 C ASN A 200 -16.491 -11.158 -0.823 1.00 0.00 C ATOM 516 O ASN A 200 -16.951 -10.095 -0.416 1.00 0.00 O ATOM 517 CB ASN A 200 -17.721 -12.328 1.044 1.00 0.00 C ATOM 518 CG ASN A 200 -19.090 -11.718 0.790 1.00 0.00 C ATOM 519 OD1 ASN A 200 -20.019 -12.403 0.364 1.00 0.00 O ATOM 520 ND2 ASN A 200 -19.236 -10.436 1.084 1.00 0.00 N ATOM 0 H ASN A 200 -14.861 -12.678 0.268 1.00 0.00 H new ATOM 0 HA ASN A 200 -17.500 -13.034 -0.951 1.00 0.00 H new ATOM 0 HB2 ASN A 200 -17.847 -13.301 1.519 1.00 0.00 H new ATOM 0 HB3 ASN A 200 -17.176 -11.698 1.747 1.00 0.00 H new ATOM 0 HD21 ASN A 200 -20.142 -9.984 0.959 1.00 0.00 H new ATOM 0 HD22 ASN A 200 -18.443 -9.900 1.435 1.00 0.00 H new ATOM 527 N PHE A 201 -15.590 -11.234 -1.772 1.00 0.00 N ATOM 528 CA PHE A 201 -15.161 -10.073 -2.517 1.00 0.00 C ATOM 529 C PHE A 201 -16.088 -9.832 -3.671 1.00 0.00 C ATOM 530 O PHE A 201 -16.390 -10.724 -4.462 1.00 0.00 O ATOM 531 CB PHE A 201 -13.728 -10.234 -3.012 1.00 0.00 C ATOM 532 CG PHE A 201 -13.396 -11.589 -3.589 1.00 0.00 C ATOM 533 CD1 PHE A 201 -13.002 -12.633 -2.766 1.00 0.00 C ATOM 534 CD2 PHE A 201 -13.464 -11.812 -4.956 1.00 0.00 C ATOM 535 CE1 PHE A 201 -12.685 -13.870 -3.292 1.00 0.00 C ATOM 536 CE2 PHE A 201 -13.149 -13.049 -5.487 1.00 0.00 C ATOM 537 CZ PHE A 201 -12.760 -14.078 -4.655 1.00 0.00 C ATOM 0 H PHE A 201 -15.133 -12.102 -2.051 1.00 0.00 H new ATOM 0 HA PHE A 201 -15.190 -9.211 -1.851 1.00 0.00 H new ATOM 0 HB2 PHE A 201 -13.536 -9.476 -3.772 1.00 0.00 H new ATOM 0 HB3 PHE A 201 -13.049 -10.034 -2.183 1.00 0.00 H new ATOM 0 HD1 PHE A 201 -12.942 -12.477 -1.699 1.00 0.00 H new ATOM 0 HD2 PHE A 201 -13.766 -11.010 -5.613 1.00 0.00 H new ATOM 0 HE1 PHE A 201 -12.379 -14.673 -2.638 1.00 0.00 H new ATOM 0 HE2 PHE A 201 -13.208 -13.210 -6.553 1.00 0.00 H new ATOM 0 HZ PHE A 201 -12.514 -15.045 -5.069 1.00 0.00 H new ATOM 547 N THR A 202 -16.552 -8.621 -3.728 1.00 0.00 N ATOM 548 CA THR A 202 -17.324 -8.159 -4.806 1.00 0.00 C ATOM 549 C THR A 202 -16.492 -7.092 -5.478 1.00 0.00 C ATOM 550 O THR A 202 -15.606 -6.563 -4.817 1.00 0.00 O ATOM 551 CB THR A 202 -18.679 -7.588 -4.334 1.00 0.00 C ATOM 552 OG1 THR A 202 -19.317 -8.521 -3.455 1.00 0.00 O ATOM 553 CG2 THR A 202 -19.600 -7.292 -5.508 1.00 0.00 C ATOM 0 H THR A 202 -16.392 -7.922 -3.002 1.00 0.00 H new ATOM 0 HA THR A 202 -17.567 -8.972 -5.490 1.00 0.00 H new ATOM 0 HB THR A 202 -18.483 -6.653 -3.810 1.00 0.00 H new ATOM 0 HG1 THR A 202 -20.175 -8.155 -3.156 1.00 0.00 H new ATOM 0 HG21 THR A 202 -20.544 -6.892 -5.138 1.00 0.00 H new ATOM 0 HG22 THR A 202 -19.129 -6.561 -6.165 1.00 0.00 H new ATOM 0 HG23 THR A 202 -19.788 -8.211 -6.063 1.00 0.00 H new ATOM 561 N GLU A 203 -16.709 -6.777 -6.745 1.00 0.00 N ATOM 562 CA GLU A 203 -15.919 -5.720 -7.381 1.00 0.00 C ATOM 563 C GLU A 203 -15.946 -4.466 -6.526 1.00 0.00 C ATOM 564 O GLU A 203 -14.973 -3.723 -6.465 1.00 0.00 O ATOM 565 CB GLU A 203 -16.429 -5.400 -8.779 1.00 0.00 C ATOM 566 CG GLU A 203 -15.721 -4.207 -9.410 1.00 0.00 C ATOM 567 CD GLU A 203 -16.438 -3.667 -10.624 1.00 0.00 C ATOM 568 OE1 GLU A 203 -16.678 -4.439 -11.575 1.00 0.00 O ATOM 569 OE2 GLU A 203 -16.778 -2.466 -10.624 1.00 0.00 O ATOM 0 H GLU A 203 -17.405 -7.221 -7.345 1.00 0.00 H new ATOM 0 HA GLU A 203 -14.895 -6.081 -7.472 1.00 0.00 H new ATOM 0 HB2 GLU A 203 -16.297 -6.274 -9.417 1.00 0.00 H new ATOM 0 HB3 GLU A 203 -17.499 -5.198 -8.733 1.00 0.00 H new ATOM 0 HG2 GLU A 203 -15.627 -3.414 -8.668 1.00 0.00 H new ATOM 0 HG3 GLU A 203 -14.710 -4.500 -9.693 1.00 0.00 H new ATOM 576 N THR A 204 -17.046 -4.294 -5.810 1.00 0.00 N ATOM 577 CA THR A 204 -17.196 -3.202 -4.878 1.00 0.00 C ATOM 578 C THR A 204 -16.084 -3.231 -3.853 1.00 0.00 C ATOM 579 O THR A 204 -15.348 -2.263 -3.675 1.00 0.00 O ATOM 580 CB THR A 204 -18.508 -3.368 -4.111 1.00 0.00 C ATOM 581 OG1 THR A 204 -19.591 -3.534 -5.037 1.00 0.00 O ATOM 582 CG2 THR A 204 -18.765 -2.168 -3.213 1.00 0.00 C ATOM 0 H THR A 204 -17.857 -4.911 -5.863 1.00 0.00 H new ATOM 0 HA THR A 204 -17.176 -2.269 -5.441 1.00 0.00 H new ATOM 0 HB THR A 204 -18.434 -4.254 -3.480 1.00 0.00 H new ATOM 0 HG1 THR A 204 -20.430 -3.642 -4.543 1.00 0.00 H new ATOM 0 HG21 THR A 204 -19.704 -2.309 -2.677 1.00 0.00 H new ATOM 0 HG22 THR A 204 -17.950 -2.069 -2.496 1.00 0.00 H new ATOM 0 HG23 THR A 204 -18.826 -1.265 -3.821 1.00 0.00 H new ATOM 590 N ASP A 205 -15.955 -4.376 -3.215 1.00 0.00 N ATOM 591 CA ASP A 205 -14.982 -4.560 -2.167 1.00 0.00 C ATOM 592 C ASP A 205 -13.582 -4.578 -2.744 1.00 0.00 C ATOM 593 O ASP A 205 -12.686 -3.998 -2.169 1.00 0.00 O ATOM 594 CB ASP A 205 -15.264 -5.856 -1.404 1.00 0.00 C ATOM 595 CG ASP A 205 -14.274 -6.118 -0.289 1.00 0.00 C ATOM 596 OD1 ASP A 205 -14.098 -5.238 0.582 1.00 0.00 O ATOM 597 OD2 ASP A 205 -13.675 -7.210 -0.273 1.00 0.00 O ATOM 0 H ASP A 205 -16.522 -5.201 -3.410 1.00 0.00 H new ATOM 0 HA ASP A 205 -15.057 -3.725 -1.471 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -16.270 -5.812 -0.986 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -15.245 -6.693 -2.102 1.00 0.00 H new ATOM 602 N ILE A 206 -13.410 -5.205 -3.905 1.00 0.00 N ATOM 603 CA ILE A 206 -12.086 -5.384 -4.487 1.00 0.00 C ATOM 604 C ILE A 206 -11.504 -4.086 -5.022 1.00 0.00 C ATOM 605 O ILE A 206 -10.346 -3.769 -4.753 1.00 0.00 O ATOM 606 CB ILE A 206 -12.107 -6.434 -5.604 1.00 0.00 C ATOM 607 CG1 ILE A 206 -12.771 -7.702 -5.089 1.00 0.00 C ATOM 608 CG2 ILE A 206 -10.684 -6.727 -6.047 1.00 0.00 C ATOM 609 CD1 ILE A 206 -13.422 -8.544 -6.156 1.00 0.00 C ATOM 0 H ILE A 206 -14.171 -5.597 -4.460 1.00 0.00 H new ATOM 0 HA ILE A 206 -11.445 -5.731 -3.677 1.00 0.00 H new ATOM 0 HB ILE A 206 -12.672 -6.058 -6.457 1.00 0.00 H new ATOM 0 HG12 ILE A 206 -12.023 -8.305 -4.574 1.00 0.00 H new ATOM 0 HG13 ILE A 206 -13.524 -7.428 -4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 206 -10.697 -7.473 -6.841 1.00 0.00 H new ATOM 0 HG22 ILE A 206 -10.222 -5.811 -6.417 1.00 0.00 H new ATOM 0 HG23 ILE A 206 -10.111 -7.107 -5.201 1.00 0.00 H new ATOM 0 HD11 ILE A 206 -13.870 -9.427 -5.700 1.00 0.00 H new ATOM 0 HD12 ILE A 206 -14.196 -7.962 -6.657 1.00 0.00 H new ATOM 0 HD13 ILE A 206 -12.672 -8.853 -6.884 1.00 0.00 H new ATOM 621 N LYS A 207 -12.291 -3.335 -5.777 1.00 0.00 N ATOM 622 CA LYS A 207 -11.839 -2.036 -6.239 1.00 0.00 C ATOM 623 C LYS A 207 -11.547 -1.175 -5.029 1.00 0.00 C ATOM 624 O LYS A 207 -10.496 -0.560 -4.953 1.00 0.00 O ATOM 625 CB LYS A 207 -12.869 -1.394 -7.187 1.00 0.00 C ATOM 626 CG LYS A 207 -14.129 -0.856 -6.521 1.00 0.00 C ATOM 627 CD LYS A 207 -15.277 -0.751 -7.517 1.00 0.00 C ATOM 628 CE LYS A 207 -14.883 0.032 -8.760 1.00 0.00 C ATOM 629 NZ LYS A 207 -15.934 -0.027 -9.811 1.00 0.00 N ATOM 0 H LYS A 207 -13.230 -3.598 -6.078 1.00 0.00 H new ATOM 0 HA LYS A 207 -10.924 -2.141 -6.823 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -12.385 -0.577 -7.721 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -13.161 -2.134 -7.932 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -14.417 -1.511 -5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -13.926 0.125 -6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -15.599 -1.751 -7.806 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -16.129 -0.267 -7.039 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -14.698 1.072 -8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -13.949 -0.365 -9.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -15.673 0.600 -10.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -16.022 -1.003 -10.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -16.843 0.281 -9.410 1.00 0.00 H new ATOM 643 N ALA A 208 -12.440 -1.217 -4.044 1.00 0.00 N ATOM 644 CA ALA A 208 -12.228 -0.512 -2.788 1.00 0.00 C ATOM 645 C ALA A 208 -10.941 -0.984 -2.113 1.00 0.00 C ATOM 646 O ALA A 208 -10.201 -0.178 -1.549 1.00 0.00 O ATOM 647 CB ALA A 208 -13.422 -0.697 -1.865 1.00 0.00 C ATOM 0 H ALA A 208 -13.318 -1.733 -4.094 1.00 0.00 H new ATOM 0 HA ALA A 208 -12.125 0.551 -3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -13.246 -0.163 -0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -14.318 -0.303 -2.345 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -13.560 -1.758 -1.656 1.00 0.00 H new ATOM 653 N MET A 209 -10.675 -2.288 -2.194 1.00 0.00 N ATOM 654 CA MET A 209 -9.444 -2.863 -1.667 1.00 0.00 C ATOM 655 C MET A 209 -8.249 -2.202 -2.333 1.00 0.00 C ATOM 656 O MET A 209 -7.396 -1.639 -1.663 1.00 0.00 O ATOM 657 CB MET A 209 -9.377 -4.385 -1.901 1.00 0.00 C ATOM 658 CG MET A 209 -10.366 -5.205 -1.074 1.00 0.00 C ATOM 659 SD MET A 209 -9.978 -6.972 -1.071 1.00 0.00 S ATOM 660 CE MET A 209 -11.232 -7.650 -2.165 1.00 0.00 C ATOM 0 H MET A 209 -11.303 -2.968 -2.623 1.00 0.00 H new ATOM 0 HA MET A 209 -9.427 -2.685 -0.592 1.00 0.00 H new ATOM 0 HB2 MET A 209 -9.556 -4.584 -2.958 1.00 0.00 H new ATOM 0 HB3 MET A 209 -8.367 -4.728 -1.679 1.00 0.00 H new ATOM 0 HG2 MET A 209 -10.369 -4.836 -0.048 1.00 0.00 H new ATOM 0 HG3 MET A 209 -11.372 -5.059 -1.468 1.00 0.00 H new ATOM 0 HE1 MET A 209 -11.363 -8.711 -1.955 1.00 0.00 H new ATOM 0 HE2 MET A 209 -12.176 -7.129 -2.004 1.00 0.00 H new ATOM 0 HE3 MET A 209 -10.919 -7.521 -3.201 1.00 0.00 H new ATOM 670 N GLU A 210 -8.233 -2.242 -3.664 1.00 0.00 N ATOM 671 CA GLU A 210 -7.150 -1.668 -4.460 1.00 0.00 C ATOM 672 C GLU A 210 -6.896 -0.199 -4.130 1.00 0.00 C ATOM 673 O GLU A 210 -5.752 0.251 -4.158 1.00 0.00 O ATOM 674 CB GLU A 210 -7.457 -1.814 -5.947 1.00 0.00 C ATOM 675 CG GLU A 210 -7.509 -3.255 -6.420 1.00 0.00 C ATOM 676 CD GLU A 210 -7.783 -3.368 -7.906 1.00 0.00 C ATOM 677 OE1 GLU A 210 -7.092 -2.689 -8.696 1.00 0.00 O ATOM 678 OE2 GLU A 210 -8.682 -4.142 -8.293 1.00 0.00 O ATOM 0 H GLU A 210 -8.971 -2.673 -4.221 1.00 0.00 H new ATOM 0 HA GLU A 210 -6.244 -2.221 -4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 210 -8.413 -1.336 -6.160 1.00 0.00 H new ATOM 0 HB3 GLU A 210 -6.699 -1.280 -6.520 1.00 0.00 H new ATOM 0 HG2 GLU A 210 -6.562 -3.744 -6.190 1.00 0.00 H new ATOM 0 HG3 GLU A 210 -8.285 -3.787 -5.869 1.00 0.00 H new ATOM 685 N ARG A 211 -7.952 0.545 -3.816 1.00 0.00 N ATOM 686 CA ARG A 211 -7.803 1.959 -3.466 1.00 0.00 C ATOM 687 C ARG A 211 -6.930 2.084 -2.223 1.00 0.00 C ATOM 688 O ARG A 211 -5.960 2.848 -2.177 1.00 0.00 O ATOM 689 CB ARG A 211 -9.159 2.625 -3.184 1.00 0.00 C ATOM 690 CG ARG A 211 -10.320 2.127 -4.037 1.00 0.00 C ATOM 691 CD ARG A 211 -10.001 2.146 -5.528 1.00 0.00 C ATOM 692 NE ARG A 211 -9.730 3.498 -6.005 1.00 0.00 N ATOM 693 CZ ARG A 211 -8.605 3.850 -6.618 1.00 0.00 C ATOM 694 NH1 ARG A 211 -7.707 2.926 -6.929 1.00 0.00 N ATOM 695 NH2 ARG A 211 -8.393 5.119 -6.940 1.00 0.00 N ATOM 0 H ARG A 211 -8.912 0.200 -3.796 1.00 0.00 H new ATOM 0 HA ARG A 211 -7.343 2.463 -4.316 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -9.409 2.471 -2.134 1.00 0.00 H new ATOM 0 HB3 ARG A 211 -9.055 3.700 -3.333 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -10.577 1.111 -3.737 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -11.197 2.747 -3.849 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -9.137 1.511 -5.723 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -10.838 1.725 -6.085 1.00 0.00 H new ATOM 0 HE ARG A 211 -10.444 4.212 -5.860 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -7.881 1.948 -6.698 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -6.842 3.193 -7.400 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -9.094 5.826 -6.717 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -7.529 5.388 -7.411 1.00 0.00 H new ATOM 709 N VAL A 212 -7.290 1.305 -1.219 1.00 0.00 N ATOM 710 CA VAL A 212 -6.554 1.262 0.031 1.00 0.00 C ATOM 711 C VAL A 212 -5.179 0.656 -0.192 1.00 0.00 C ATOM 712 O VAL A 212 -4.232 0.983 0.503 1.00 0.00 O ATOM 713 CB VAL A 212 -7.303 0.439 1.098 1.00 0.00 C ATOM 714 CG1 VAL A 212 -6.731 0.698 2.479 1.00 0.00 C ATOM 715 CG2 VAL A 212 -8.786 0.748 1.057 1.00 0.00 C ATOM 0 H VAL A 212 -8.100 0.685 -1.247 1.00 0.00 H new ATOM 0 HA VAL A 212 -6.454 2.287 0.390 1.00 0.00 H new ATOM 0 HB VAL A 212 -7.168 -0.619 0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 212 -7.275 0.106 3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 212 -5.678 0.417 2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 212 -6.828 1.756 2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 212 -9.301 0.159 1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 212 -8.942 1.809 1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 212 -9.183 0.498 0.073 1.00 0.00 H new ATOM 725 N VAL A 213 -5.104 -0.254 -1.149 1.00 0.00 N ATOM 726 CA VAL A 213 -3.861 -0.940 -1.487 1.00 0.00 C ATOM 727 C VAL A 213 -2.819 -0.002 -2.096 1.00 0.00 C ATOM 728 O VAL A 213 -1.655 -0.027 -1.689 1.00 0.00 O ATOM 729 CB VAL A 213 -4.113 -2.108 -2.454 1.00 0.00 C ATOM 730 CG1 VAL A 213 -2.809 -2.596 -3.046 1.00 0.00 C ATOM 731 CG2 VAL A 213 -4.819 -3.245 -1.746 1.00 0.00 C ATOM 0 H VAL A 213 -5.902 -0.541 -1.716 1.00 0.00 H new ATOM 0 HA VAL A 213 -3.466 -1.323 -0.546 1.00 0.00 H new ATOM 0 HB VAL A 213 -4.753 -1.749 -3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 213 -3.006 -3.423 -3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 213 -2.330 -1.783 -3.591 1.00 0.00 H new ATOM 0 HG13 VAL A 213 -2.150 -2.935 -2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 213 -4.988 -4.062 -2.448 1.00 0.00 H new ATOM 0 HG22 VAL A 213 -4.202 -3.598 -0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 213 -5.776 -2.895 -1.360 1.00 0.00 H new ATOM 741 N GLU A 214 -3.209 0.810 -3.074 1.00 0.00 N ATOM 742 CA GLU A 214 -2.260 1.742 -3.669 1.00 0.00 C ATOM 743 C GLU A 214 -1.755 2.711 -2.607 1.00 0.00 C ATOM 744 O GLU A 214 -0.568 3.013 -2.547 1.00 0.00 O ATOM 745 CB GLU A 214 -2.850 2.479 -4.884 1.00 0.00 C ATOM 746 CG GLU A 214 -4.232 3.065 -4.668 1.00 0.00 C ATOM 747 CD GLU A 214 -4.765 3.762 -5.904 1.00 0.00 C ATOM 748 OE1 GLU A 214 -5.034 3.080 -6.915 1.00 0.00 O ATOM 749 OE2 GLU A 214 -4.925 4.998 -5.870 1.00 0.00 O ATOM 0 H GLU A 214 -4.151 0.842 -3.463 1.00 0.00 H new ATOM 0 HA GLU A 214 -1.414 1.170 -4.049 1.00 0.00 H new ATOM 0 HB2 GLU A 214 -2.171 3.283 -5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 214 -2.893 1.787 -5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 214 -4.919 2.270 -4.378 1.00 0.00 H new ATOM 0 HG3 GLU A 214 -4.198 3.774 -3.841 1.00 0.00 H new ATOM 756 N GLN A 215 -2.652 3.146 -1.734 1.00 0.00 N ATOM 757 CA GLN A 215 -2.262 3.932 -0.569 1.00 0.00 C ATOM 758 C GLN A 215 -1.478 3.085 0.426 1.00 0.00 C ATOM 759 O GLN A 215 -0.681 3.608 1.177 1.00 0.00 O ATOM 760 CB GLN A 215 -3.492 4.539 0.106 1.00 0.00 C ATOM 761 CG GLN A 215 -4.028 5.774 -0.595 1.00 0.00 C ATOM 762 CD GLN A 215 -3.111 6.974 -0.445 1.00 0.00 C ATOM 763 OE1 GLN A 215 -3.229 7.743 0.512 1.00 0.00 O ATOM 764 NE2 GLN A 215 -2.202 7.156 -1.388 1.00 0.00 N ATOM 0 H GLN A 215 -3.654 2.969 -1.809 1.00 0.00 H new ATOM 0 HA GLN A 215 -1.616 4.740 -0.912 1.00 0.00 H new ATOM 0 HB2 GLN A 215 -4.280 3.787 0.149 1.00 0.00 H new ATOM 0 HB3 GLN A 215 -3.240 4.797 1.135 1.00 0.00 H new ATOM 0 HG2 GLN A 215 -4.164 5.556 -1.654 1.00 0.00 H new ATOM 0 HG3 GLN A 215 -5.010 6.019 -0.191 1.00 0.00 H new ATOM 0 HE21 GLN A 215 -2.134 6.498 -2.165 1.00 0.00 H new ATOM 0 HE22 GLN A 215 -1.569 7.954 -1.339 1.00 0.00 H new ATOM 773 N MET A 216 -1.710 1.781 0.429 1.00 0.00 N ATOM 774 CA MET A 216 -1.038 0.882 1.363 1.00 0.00 C ATOM 775 C MET A 216 0.455 0.854 1.090 1.00 0.00 C ATOM 776 O MET A 216 1.266 1.069 1.985 1.00 0.00 O ATOM 777 CB MET A 216 -1.644 -0.534 1.293 1.00 0.00 C ATOM 778 CG MET A 216 -0.967 -1.551 2.204 1.00 0.00 C ATOM 779 SD MET A 216 -2.042 -2.932 2.670 1.00 0.00 S ATOM 780 CE MET A 216 -2.256 -3.793 1.111 1.00 0.00 C ATOM 0 H MET A 216 -2.360 1.318 -0.206 1.00 0.00 H new ATOM 0 HA MET A 216 -1.190 1.258 2.375 1.00 0.00 H new ATOM 0 HB2 MET A 216 -2.701 -0.478 1.553 1.00 0.00 H new ATOM 0 HB3 MET A 216 -1.587 -0.890 0.264 1.00 0.00 H new ATOM 0 HG2 MET A 216 -0.082 -1.943 1.703 1.00 0.00 H new ATOM 0 HG3 MET A 216 -0.625 -1.046 3.108 1.00 0.00 H new ATOM 0 HE1 MET A 216 -3.230 -4.281 1.096 1.00 0.00 H new ATOM 0 HE2 MET A 216 -2.195 -3.079 0.290 1.00 0.00 H new ATOM 0 HE3 MET A 216 -1.473 -4.543 0.999 1.00 0.00 H new ATOM 790 N CYS A 217 0.808 0.626 -0.159 1.00 0.00 N ATOM 791 CA CYS A 217 2.207 0.616 -0.561 1.00 0.00 C ATOM 792 C CYS A 217 2.782 2.018 -0.601 1.00 0.00 C ATOM 793 O CYS A 217 3.906 2.242 -0.160 1.00 0.00 O ATOM 794 CB CYS A 217 2.386 -0.062 -1.911 1.00 0.00 C ATOM 795 SG CYS A 217 2.740 -1.834 -1.771 1.00 0.00 S ATOM 0 H CYS A 217 0.148 0.445 -0.916 1.00 0.00 H new ATOM 0 HA CYS A 217 2.753 0.044 0.189 1.00 0.00 H new ATOM 0 HB2 CYS A 217 1.482 0.077 -2.504 1.00 0.00 H new ATOM 0 HB3 CYS A 217 3.199 0.424 -2.451 1.00 0.00 H new ATOM 800 N ILE A 218 2.011 2.963 -1.115 1.00 0.00 N ATOM 801 CA ILE A 218 2.466 4.338 -1.198 1.00 0.00 C ATOM 802 C ILE A 218 2.681 4.916 0.203 1.00 0.00 C ATOM 803 O ILE A 218 3.613 5.673 0.431 1.00 0.00 O ATOM 804 CB ILE A 218 1.494 5.189 -2.050 1.00 0.00 C ATOM 805 CG1 ILE A 218 1.660 4.805 -3.523 1.00 0.00 C ATOM 806 CG2 ILE A 218 1.738 6.669 -1.863 1.00 0.00 C ATOM 807 CD1 ILE A 218 0.682 5.468 -4.473 1.00 0.00 C ATOM 0 H ILE A 218 1.072 2.803 -1.479 1.00 0.00 H new ATOM 0 HA ILE A 218 3.430 4.362 -1.706 1.00 0.00 H new ATOM 0 HB ILE A 218 0.474 4.986 -1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 218 2.674 5.056 -3.836 1.00 0.00 H new ATOM 0 HG13 ILE A 218 1.556 3.724 -3.615 1.00 0.00 H new ATOM 0 HG21 ILE A 218 1.037 7.234 -2.477 1.00 0.00 H new ATOM 0 HG22 ILE A 218 1.596 6.932 -0.815 1.00 0.00 H new ATOM 0 HG23 ILE A 218 2.758 6.910 -2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 218 0.880 5.133 -5.491 1.00 0.00 H new ATOM 0 HD12 ILE A 218 -0.336 5.198 -4.194 1.00 0.00 H new ATOM 0 HD13 ILE A 218 0.799 6.550 -4.418 1.00 0.00 H new ATOM 819 N THR A 219 1.841 4.526 1.148 1.00 0.00 N ATOM 820 CA THR A 219 2.071 4.859 2.551 1.00 0.00 C ATOM 821 C THR A 219 3.324 4.163 3.101 1.00 0.00 C ATOM 822 O THR A 219 4.066 4.748 3.892 1.00 0.00 O ATOM 823 CB THR A 219 0.825 4.544 3.411 1.00 0.00 C ATOM 824 OG1 THR A 219 -0.094 5.642 3.318 1.00 0.00 O ATOM 825 CG2 THR A 219 1.178 4.285 4.869 1.00 0.00 C ATOM 0 H THR A 219 0.997 3.981 0.974 1.00 0.00 H new ATOM 0 HA THR A 219 2.249 5.933 2.607 1.00 0.00 H new ATOM 0 HB THR A 219 0.371 3.631 3.026 1.00 0.00 H new ATOM 0 HG1 THR A 219 0.399 6.487 3.377 1.00 0.00 H new ATOM 0 HG21 THR A 219 0.269 4.069 5.431 1.00 0.00 H new ATOM 0 HG22 THR A 219 1.856 3.434 4.934 1.00 0.00 H new ATOM 0 HG23 THR A 219 1.662 5.167 5.288 1.00 0.00 H new ATOM 833 N GLN A 220 3.576 2.933 2.665 1.00 0.00 N ATOM 834 CA GLN A 220 4.816 2.244 3.028 1.00 0.00 C ATOM 835 C GLN A 220 6.019 3.011 2.483 1.00 0.00 C ATOM 836 O GLN A 220 7.068 3.095 3.126 1.00 0.00 O ATOM 837 CB GLN A 220 4.833 0.803 2.504 1.00 0.00 C ATOM 838 CG GLN A 220 3.863 -0.125 3.220 1.00 0.00 C ATOM 839 CD GLN A 220 4.146 -0.261 4.709 1.00 0.00 C ATOM 840 OE1 GLN A 220 5.411 -0.162 5.098 1.00 0.00 O flip ATOM 841 NE2 GLN A 220 3.232 -0.469 5.506 1.00 0.00 N flip ATOM 0 H GLN A 220 2.949 2.395 2.067 1.00 0.00 H new ATOM 0 HA GLN A 220 4.871 2.206 4.116 1.00 0.00 H new ATOM 0 HB2 GLN A 220 4.595 0.811 1.440 1.00 0.00 H new ATOM 0 HB3 GLN A 220 5.842 0.403 2.602 1.00 0.00 H new ATOM 0 HG2 GLN A 220 2.848 0.247 3.083 1.00 0.00 H new ATOM 0 HG3 GLN A 220 3.907 -1.111 2.758 1.00 0.00 H new ATOM 0 HE21 GLN A 220 2.271 -0.539 5.172 1.00 0.00 H new ATOM 0 HE22 GLN A 220 3.436 -0.571 6.500 1.00 0.00 H new ATOM 850 N TYR A 221 5.854 3.572 1.293 1.00 0.00 N ATOM 851 CA TYR A 221 6.875 4.421 0.696 1.00 0.00 C ATOM 852 C TYR A 221 7.007 5.727 1.477 1.00 0.00 C ATOM 853 O TYR A 221 8.116 6.236 1.661 1.00 0.00 O ATOM 854 CB TYR A 221 6.552 4.681 -0.783 1.00 0.00 C ATOM 855 CG TYR A 221 6.622 6.140 -1.205 1.00 0.00 C ATOM 856 CD1 TYR A 221 7.839 6.797 -1.334 1.00 0.00 C ATOM 857 CD2 TYR A 221 5.463 6.861 -1.455 1.00 0.00 C ATOM 858 CE1 TYR A 221 7.894 8.128 -1.700 1.00 0.00 C ATOM 859 CE2 TYR A 221 5.510 8.191 -1.819 1.00 0.00 C ATOM 860 CZ TYR A 221 6.727 8.820 -1.941 1.00 0.00 C ATOM 861 OH TYR A 221 6.778 10.149 -2.301 1.00 0.00 O ATOM 0 H TYR A 221 5.019 3.453 0.720 1.00 0.00 H new ATOM 0 HA TYR A 221 7.835 3.908 0.744 1.00 0.00 H new ATOM 0 HB2 TYR A 221 7.244 4.106 -1.398 1.00 0.00 H new ATOM 0 HB3 TYR A 221 5.551 4.304 -0.993 1.00 0.00 H new ATOM 0 HD1 TYR A 221 8.756 6.259 -1.145 1.00 0.00 H new ATOM 0 HD2 TYR A 221 4.505 6.371 -1.363 1.00 0.00 H new ATOM 0 HE1 TYR A 221 8.848 8.624 -1.797 1.00 0.00 H new ATOM 0 HE2 TYR A 221 4.596 8.735 -2.007 1.00 0.00 H new ATOM 0 HH TYR A 221 5.868 10.487 -2.435 1.00 0.00 H new ATOM 871 N GLN A 222 5.878 6.272 1.931 1.00 0.00 N ATOM 872 CA GLN A 222 5.894 7.454 2.786 1.00 0.00 C ATOM 873 C GLN A 222 6.742 7.168 4.013 1.00 0.00 C ATOM 874 O GLN A 222 7.610 7.956 4.376 1.00 0.00 O ATOM 875 CB GLN A 222 4.477 7.849 3.211 1.00 0.00 C ATOM 876 CG GLN A 222 3.571 8.225 2.050 1.00 0.00 C ATOM 877 CD GLN A 222 2.142 8.493 2.486 1.00 0.00 C ATOM 878 OE1 GLN A 222 1.659 7.928 3.469 1.00 0.00 O ATOM 879 NE2 GLN A 222 1.447 9.344 1.749 1.00 0.00 N ATOM 0 H GLN A 222 4.946 5.914 1.721 1.00 0.00 H new ATOM 0 HA GLN A 222 6.319 8.286 2.225 1.00 0.00 H new ATOM 0 HB2 GLN A 222 4.027 7.020 3.757 1.00 0.00 H new ATOM 0 HB3 GLN A 222 4.536 8.691 3.901 1.00 0.00 H new ATOM 0 HG2 GLN A 222 3.969 9.112 1.557 1.00 0.00 H new ATOM 0 HG3 GLN A 222 3.577 7.421 1.314 1.00 0.00 H new ATOM 0 HE21 GLN A 222 1.881 9.793 0.942 1.00 0.00 H new ATOM 0 HE22 GLN A 222 0.477 9.552 1.988 1.00 0.00 H new ATOM 888 N ARG A 223 6.494 6.009 4.615 1.00 0.00 N ATOM 889 CA ARG A 223 7.289 5.522 5.733 1.00 0.00 C ATOM 890 C ARG A 223 8.779 5.534 5.400 1.00 0.00 C ATOM 891 O ARG A 223 9.587 6.039 6.169 1.00 0.00 O ATOM 892 CB ARG A 223 6.851 4.099 6.104 1.00 0.00 C ATOM 893 CG ARG A 223 7.906 3.316 6.870 1.00 0.00 C ATOM 894 CD ARG A 223 8.227 3.962 8.202 1.00 0.00 C ATOM 895 NE ARG A 223 9.402 3.360 8.830 1.00 0.00 N ATOM 896 CZ ARG A 223 9.671 3.430 10.133 1.00 0.00 C ATOM 897 NH1 ARG A 223 8.826 4.029 10.967 1.00 0.00 N ATOM 898 NH2 ARG A 223 10.780 2.894 10.610 1.00 0.00 N ATOM 0 H ARG A 223 5.737 5.383 4.341 1.00 0.00 H new ATOM 0 HA ARG A 223 7.125 6.188 6.580 1.00 0.00 H new ATOM 0 HB2 ARG A 223 5.943 4.153 6.705 1.00 0.00 H new ATOM 0 HB3 ARG A 223 6.599 3.557 5.193 1.00 0.00 H new ATOM 0 HG2 ARG A 223 7.555 2.297 7.035 1.00 0.00 H new ATOM 0 HG3 ARG A 223 8.814 3.247 6.271 1.00 0.00 H new ATOM 0 HD2 ARG A 223 8.399 5.028 8.056 1.00 0.00 H new ATOM 0 HD3 ARG A 223 7.370 3.866 8.868 1.00 0.00 H new ATOM 0 HE ARG A 223 10.057 2.855 8.233 1.00 0.00 H new ATOM 0 HH11 ARG A 223 7.963 4.440 10.611 1.00 0.00 H new ATOM 0 HH12 ARG A 223 9.041 4.077 11.963 1.00 0.00 H new ATOM 0 HH21 ARG A 223 11.432 2.426 9.981 1.00 0.00 H new ATOM 0 HH22 ARG A 223 10.985 2.948 11.608 1.00 0.00 H new ATOM 912 N GLU A 224 9.132 4.975 4.257 1.00 0.00 N ATOM 913 CA GLU A 224 10.531 4.875 3.859 1.00 0.00 C ATOM 914 C GLU A 224 11.155 6.242 3.636 1.00 0.00 C ATOM 915 O GLU A 224 12.219 6.550 4.168 1.00 0.00 O ATOM 916 CB GLU A 224 10.685 4.099 2.561 1.00 0.00 C ATOM 917 CG GLU A 224 12.102 3.618 2.371 1.00 0.00 C ATOM 918 CD GLU A 224 12.455 2.489 3.322 1.00 0.00 C ATOM 919 OE1 GLU A 224 12.098 1.333 3.035 1.00 0.00 O ATOM 920 OE2 GLU A 224 13.087 2.760 4.370 1.00 0.00 O ATOM 0 H GLU A 224 8.472 4.582 3.586 1.00 0.00 H new ATOM 0 HA GLU A 224 11.034 4.360 4.677 1.00 0.00 H new ATOM 0 HB2 GLU A 224 10.007 3.246 2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 224 10.398 4.732 1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 224 12.235 3.280 1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 224 12.790 4.449 2.525 1.00 0.00 H new ATOM 927 N SER A 225 10.510 7.046 2.816 1.00 0.00 N ATOM 928 CA SER A 225 11.053 8.334 2.449 1.00 0.00 C ATOM 929 C SER A 225 11.150 9.238 3.671 1.00 0.00 C ATOM 930 O SER A 225 12.066 10.047 3.773 1.00 0.00 O ATOM 931 CB SER A 225 10.198 8.976 1.359 1.00 0.00 C ATOM 932 OG SER A 225 8.837 9.014 1.742 1.00 0.00 O ATOM 0 H SER A 225 9.608 6.828 2.392 1.00 0.00 H new ATOM 0 HA SER A 225 12.059 8.192 2.054 1.00 0.00 H new ATOM 0 HB2 SER A 225 10.553 9.988 1.162 1.00 0.00 H new ATOM 0 HB3 SER A 225 10.303 8.414 0.431 1.00 0.00 H new ATOM 0 HG SER A 225 8.436 8.129 1.612 1.00 0.00 H new ATOM 938 N GLN A 226 10.196 9.112 4.588 1.00 0.00 N ATOM 939 CA GLN A 226 10.261 9.838 5.849 1.00 0.00 C ATOM 940 C GLN A 226 11.340 9.246 6.741 1.00 0.00 C ATOM 941 O GLN A 226 11.973 9.957 7.516 1.00 0.00 O ATOM 942 CB GLN A 226 8.897 9.851 6.563 1.00 0.00 C ATOM 943 CG GLN A 226 8.519 8.556 7.268 1.00 0.00 C ATOM 944 CD GLN A 226 8.712 8.617 8.773 1.00 0.00 C ATOM 945 OE1 GLN A 226 9.894 8.254 9.241 1.00 0.00 O flip ATOM 946 NE2 GLN A 226 7.799 8.990 9.509 1.00 0.00 N flip ATOM 0 H GLN A 226 9.374 8.518 4.482 1.00 0.00 H new ATOM 0 HA GLN A 226 10.521 10.874 5.631 1.00 0.00 H new ATOM 0 HB2 GLN A 226 8.897 10.658 7.296 1.00 0.00 H new ATOM 0 HB3 GLN A 226 8.124 10.086 5.831 1.00 0.00 H new ATOM 0 HG2 GLN A 226 7.477 8.322 7.051 1.00 0.00 H new ATOM 0 HG3 GLN A 226 9.119 7.741 6.864 1.00 0.00 H new ATOM 0 HE21 GLN A 226 6.901 9.262 9.110 1.00 0.00 H new ATOM 0 HE22 GLN A 226 7.940 9.027 10.518 1.00 0.00 H new ATOM 955 N ALA A 227 11.538 7.937 6.621 1.00 0.00 N ATOM 956 CA ALA A 227 12.526 7.223 7.419 1.00 0.00 C ATOM 957 C ALA A 227 13.916 7.819 7.240 1.00 0.00 C ATOM 958 O ALA A 227 14.575 8.166 8.219 1.00 0.00 O ATOM 959 CB ALA A 227 12.526 5.743 7.056 1.00 0.00 C ATOM 0 H ALA A 227 11.021 7.345 5.971 1.00 0.00 H new ATOM 0 HA ALA A 227 12.253 7.327 8.469 1.00 0.00 H new ATOM 0 HB1 ALA A 227 13.268 5.220 7.659 1.00 0.00 H new ATOM 0 HB2 ALA A 227 11.540 5.321 7.249 1.00 0.00 H new ATOM 0 HB3 ALA A 227 12.770 5.627 6.000 1.00 0.00 H new ATOM 965 N TYR A 228 14.365 7.948 5.999 1.00 0.00 N ATOM 966 CA TYR A 228 15.666 8.550 5.753 1.00 0.00 C ATOM 967 C TYR A 228 15.546 10.065 5.566 1.00 0.00 C ATOM 968 O TYR A 228 16.549 10.778 5.506 1.00 0.00 O ATOM 969 CB TYR A 228 16.354 7.909 4.545 1.00 0.00 C ATOM 970 CG TYR A 228 17.774 8.384 4.328 1.00 0.00 C ATOM 971 CD1 TYR A 228 18.780 8.054 5.229 1.00 0.00 C ATOM 972 CD2 TYR A 228 18.105 9.174 3.235 1.00 0.00 C ATOM 973 CE1 TYR A 228 20.076 8.495 5.042 1.00 0.00 C ATOM 974 CE2 TYR A 228 19.396 9.619 3.044 1.00 0.00 C ATOM 975 CZ TYR A 228 20.377 9.279 3.949 1.00 0.00 C ATOM 976 OH TYR A 228 21.664 9.723 3.760 1.00 0.00 O ATOM 0 H TYR A 228 13.860 7.651 5.164 1.00 0.00 H new ATOM 0 HA TYR A 228 16.285 8.365 6.631 1.00 0.00 H new ATOM 0 HB2 TYR A 228 16.358 6.827 4.673 1.00 0.00 H new ATOM 0 HB3 TYR A 228 15.769 8.122 3.650 1.00 0.00 H new ATOM 0 HD1 TYR A 228 18.545 7.444 6.088 1.00 0.00 H new ATOM 0 HD2 TYR A 228 17.339 9.444 2.523 1.00 0.00 H new ATOM 0 HE1 TYR A 228 20.848 8.227 5.748 1.00 0.00 H new ATOM 0 HE2 TYR A 228 19.637 10.232 2.188 1.00 0.00 H new ATOM 0 HH TYR A 228 21.707 10.262 2.943 1.00 0.00 H new ATOM 986 N TYR A 229 14.304 10.542 5.479 1.00 0.00 N ATOM 987 CA TYR A 229 14.014 11.959 5.281 1.00 0.00 C ATOM 988 C TYR A 229 14.427 12.415 3.886 1.00 0.00 C ATOM 989 O TYR A 229 14.920 13.529 3.689 1.00 0.00 O ATOM 990 CB TYR A 229 14.656 12.821 6.371 1.00 0.00 C ATOM 991 CG TYR A 229 13.937 12.717 7.695 1.00 0.00 C ATOM 992 CD1 TYR A 229 12.841 13.520 7.961 1.00 0.00 C ATOM 993 CD2 TYR A 229 14.342 11.811 8.667 1.00 0.00 C ATOM 994 CE1 TYR A 229 12.164 13.426 9.156 1.00 0.00 C ATOM 995 CE2 TYR A 229 13.668 11.711 9.870 1.00 0.00 C ATOM 996 CZ TYR A 229 12.579 12.524 10.108 1.00 0.00 C ATOM 997 OH TYR A 229 11.890 12.432 11.297 1.00 0.00 O ATOM 0 H TYR A 229 13.472 9.956 5.544 1.00 0.00 H new ATOM 0 HA TYR A 229 12.935 12.091 5.363 1.00 0.00 H new ATOM 0 HB2 TYR A 229 15.695 12.519 6.502 1.00 0.00 H new ATOM 0 HB3 TYR A 229 14.664 13.862 6.047 1.00 0.00 H new ATOM 0 HD1 TYR A 229 12.512 14.232 7.219 1.00 0.00 H new ATOM 0 HD2 TYR A 229 15.195 11.176 8.480 1.00 0.00 H new ATOM 0 HE1 TYR A 229 11.309 14.059 9.345 1.00 0.00 H new ATOM 0 HE2 TYR A 229 13.991 11.002 10.618 1.00 0.00 H new ATOM 0 HH TYR A 229 12.305 11.749 11.864 1.00 0.00 H new