USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=20 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 194 THR OG1 : rot 44:sc= -1.88! USER MOD Set 1.2: A 209 MET CE :methyl -165:sc= -3.95! (180deg=-3.83!) USER MOD Single : A 171 GLN : amide:sc= -5.17! K(o=-5.2!,f=-0.39) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 174 ASN : amide:sc= -0.952 X(o=-0.95,f=-0.51) USER MOD Single : A 175 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 176 ASN : amide:sc= -0.0661 K(o=-0.066,f=-2.1!) USER MOD Single : A 177 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 180 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 184 ASN : amide:sc= 0.0952 K(o=0.095,f=-4!) USER MOD Single : A 186 THR OG1 : rot -90:sc= -2.4! USER MOD Single : A 188 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0498) USER MOD Single : A 189 GLN : amide:sc= -2.2! K(o=-2.2!,f=-0.3) USER MOD Single : A 190 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-4.2) USER MOD Single : A 191 THR OG1 : rot -73:sc= 0.512 USER MOD Single : A 193 THR OG1 : rot 68:sc= 1.08 USER MOD Single : A 195 THR OG1 : rot -66:sc= 1.09 USER MOD Single : A 196 THR OG1 : rot 7:sc= 0.371 USER MOD Single : A 197 LYS NZ :NH3+ 159:sc= 1.06 (180deg=0.784) USER MOD Single : A 200 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 202 THR OG1 : rot -18:sc= 0.883 USER MOD Single : A 204 THR OG1 : rot 180:sc= 0.00169 USER MOD Single : A 207 LYS NZ :NH3+ 157:sc= -0.14 (180deg=-0.668) USER MOD Single : A 215 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.15) USER MOD Single : A 216 MET CE :methyl 157:sc= -1.25 (180deg=-1.83) USER MOD Single : A 219 THR OG1 : rot 77:sc= 1.18 USER MOD Single : A 220 GLN : amide:sc= -0.516 X(o=-0.52,f=-0.15) USER MOD Single : A 221 TYR OH : rot -11:sc= 0.531 USER MOD Single : A 222 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.46) USER MOD Single : A 225 SER OG : rot -75:sc= 0.238 USER MOD Single : A 226 GLN : amide:sc= -0.717 K(o=-0.72,f=0) 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 16.094 3.790 0.956 1.00 0.00 N ATOM 40 CA VAL A 169 14.792 4.405 0.726 1.00 0.00 C ATOM 41 C VAL A 169 14.474 4.457 -0.756 1.00 0.00 C ATOM 42 O VAL A 169 13.741 5.339 -1.206 1.00 0.00 O ATOM 43 CB VAL A 169 14.677 5.846 1.265 1.00 0.00 C ATOM 44 CG1 VAL A 169 14.741 5.913 2.783 1.00 0.00 C ATOM 45 CG2 VAL A 169 15.744 6.736 0.644 1.00 0.00 C ATOM 0 HA VAL A 169 14.089 3.774 1.269 1.00 0.00 H new ATOM 0 HB VAL A 169 13.693 6.213 0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 169 14.655 6.951 3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 169 13.922 5.332 3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 169 15.692 5.504 3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 169 15.647 7.748 1.036 1.00 0.00 H new ATOM 0 HG22 VAL A 169 16.732 6.345 0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 169 15.619 6.753 -0.439 1.00 0.00 H new ATOM 55 N ASP A 170 15.026 3.528 -1.525 1.00 0.00 N ATOM 56 CA ASP A 170 14.818 3.520 -2.970 1.00 0.00 C ATOM 57 C ASP A 170 13.340 3.324 -3.310 1.00 0.00 C ATOM 58 O ASP A 170 12.940 3.444 -4.463 1.00 0.00 O ATOM 59 CB ASP A 170 15.671 2.445 -3.647 1.00 0.00 C ATOM 60 CG ASP A 170 15.372 1.056 -3.135 1.00 0.00 C ATOM 61 OD1 ASP A 170 15.942 0.675 -2.091 1.00 0.00 O ATOM 62 OD2 ASP A 170 14.576 0.340 -3.773 1.00 0.00 O ATOM 0 H ASP A 170 15.618 2.774 -1.177 1.00 0.00 H new ATOM 0 HA ASP A 170 15.132 4.491 -3.353 1.00 0.00 H new ATOM 0 HB2 ASP A 170 15.500 2.476 -4.723 1.00 0.00 H new ATOM 0 HB3 ASP A 170 16.726 2.668 -3.485 1.00 0.00 H new ATOM 67 N GLN A 171 12.535 3.031 -2.292 1.00 0.00 N ATOM 68 CA GLN A 171 11.081 3.044 -2.417 1.00 0.00 C ATOM 69 C GLN A 171 10.608 4.430 -2.855 1.00 0.00 C ATOM 70 O GLN A 171 9.584 4.576 -3.515 1.00 0.00 O ATOM 71 CB GLN A 171 10.436 2.670 -1.071 1.00 0.00 C ATOM 72 CG GLN A 171 9.720 1.325 -1.054 1.00 0.00 C ATOM 73 CD GLN A 171 10.632 0.112 -1.217 1.00 0.00 C ATOM 74 OE1 GLN A 171 10.352 -0.956 -0.671 1.00 0.00 O ATOM 75 NE2 GLN A 171 11.701 0.243 -1.983 1.00 0.00 N ATOM 0 H GLN A 171 12.870 2.779 -1.362 1.00 0.00 H new ATOM 0 HA GLN A 171 10.782 2.313 -3.169 1.00 0.00 H new ATOM 0 HB2 GLN A 171 11.210 2.663 -0.303 1.00 0.00 H new ATOM 0 HB3 GLN A 171 9.723 3.448 -0.798 1.00 0.00 H new ATOM 0 HG2 GLN A 171 9.177 1.230 -0.113 1.00 0.00 H new ATOM 0 HG3 GLN A 171 8.978 1.314 -1.853 1.00 0.00 H new ATOM 0 HE21 GLN A 171 11.907 1.140 -2.422 1.00 0.00 H new ATOM 0 HE22 GLN A 171 12.320 -0.553 -2.135 1.00 0.00 H new ATOM 84 N TYR A 172 11.383 5.439 -2.479 1.00 0.00 N ATOM 85 CA TYR A 172 11.101 6.822 -2.830 1.00 0.00 C ATOM 86 C TYR A 172 11.621 7.142 -4.230 1.00 0.00 C ATOM 87 O TYR A 172 10.900 7.687 -5.064 1.00 0.00 O ATOM 88 CB TYR A 172 11.748 7.744 -1.787 1.00 0.00 C ATOM 89 CG TYR A 172 11.718 9.223 -2.125 1.00 0.00 C ATOM 90 CD1 TYR A 172 10.587 9.992 -1.888 1.00 0.00 C ATOM 91 CD2 TYR A 172 12.834 9.848 -2.669 1.00 0.00 C ATOM 92 CE1 TYR A 172 10.567 11.344 -2.188 1.00 0.00 C ATOM 93 CE2 TYR A 172 12.821 11.198 -2.967 1.00 0.00 C ATOM 94 CZ TYR A 172 11.687 11.939 -2.726 1.00 0.00 C ATOM 95 OH TYR A 172 11.676 13.283 -3.022 1.00 0.00 O ATOM 0 H TYR A 172 12.228 5.319 -1.920 1.00 0.00 H new ATOM 0 HA TYR A 172 10.023 6.981 -2.835 1.00 0.00 H new ATOM 0 HB2 TYR A 172 11.244 7.596 -0.832 1.00 0.00 H new ATOM 0 HB3 TYR A 172 12.786 7.440 -1.651 1.00 0.00 H new ATOM 0 HD1 TYR A 172 9.709 9.529 -1.463 1.00 0.00 H new ATOM 0 HD2 TYR A 172 13.726 9.270 -2.862 1.00 0.00 H new ATOM 0 HE1 TYR A 172 9.678 11.929 -2.001 1.00 0.00 H new ATOM 0 HE2 TYR A 172 13.697 11.669 -3.387 1.00 0.00 H new ATOM 0 HH TYR A 172 12.545 13.543 -3.393 1.00 0.00 H new ATOM 105 N SER A 173 12.878 6.799 -4.479 1.00 0.00 N ATOM 106 CA SER A 173 13.519 7.094 -5.757 1.00 0.00 C ATOM 107 C SER A 173 12.889 6.287 -6.897 1.00 0.00 C ATOM 108 O SER A 173 12.641 6.813 -7.978 1.00 0.00 O ATOM 109 CB SER A 173 15.021 6.804 -5.664 1.00 0.00 C ATOM 110 OG SER A 173 15.712 7.260 -6.817 1.00 0.00 O ATOM 0 H SER A 173 13.477 6.314 -3.811 1.00 0.00 H new ATOM 0 HA SER A 173 13.370 8.151 -5.978 1.00 0.00 H new ATOM 0 HB2 SER A 173 15.432 7.288 -4.778 1.00 0.00 H new ATOM 0 HB3 SER A 173 15.179 5.732 -5.544 1.00 0.00 H new ATOM 0 HG SER A 173 16.667 7.061 -6.726 1.00 0.00 H new ATOM 116 N ASN A 174 12.613 5.018 -6.640 1.00 0.00 N ATOM 117 CA ASN A 174 12.086 4.119 -7.663 1.00 0.00 C ATOM 118 C ASN A 174 10.580 3.963 -7.509 1.00 0.00 C ATOM 119 O ASN A 174 10.013 2.939 -7.901 1.00 0.00 O ATOM 120 CB ASN A 174 12.749 2.741 -7.574 1.00 0.00 C ATOM 121 CG ASN A 174 14.264 2.804 -7.601 1.00 0.00 C ATOM 122 OD1 ASN A 174 14.866 3.703 -8.193 1.00 0.00 O ATOM 123 ND2 ASN A 174 14.896 1.841 -6.953 1.00 0.00 N ATOM 0 H ASN A 174 12.745 4.582 -5.727 1.00 0.00 H new ATOM 0 HA ASN A 174 12.308 4.557 -8.636 1.00 0.00 H new ATOM 0 HB2 ASN A 174 12.429 2.249 -6.655 1.00 0.00 H new ATOM 0 HB3 ASN A 174 12.403 2.124 -8.403 1.00 0.00 H new ATOM 0 HD21 ASN A 174 15.916 1.825 -6.931 1.00 0.00 H new ATOM 0 HD22 ASN A 174 14.364 1.114 -6.475 1.00 0.00 H new ATOM 130 N GLN A 175 9.947 4.980 -6.922 1.00 0.00 N ATOM 131 CA GLN A 175 8.531 4.922 -6.566 1.00 0.00 C ATOM 132 C GLN A 175 7.656 4.429 -7.718 1.00 0.00 C ATOM 133 O GLN A 175 6.717 3.692 -7.488 1.00 0.00 O ATOM 134 CB GLN A 175 8.019 6.290 -6.111 1.00 0.00 C ATOM 135 CG GLN A 175 6.644 6.215 -5.463 1.00 0.00 C ATOM 136 CD GLN A 175 5.932 7.550 -5.404 1.00 0.00 C ATOM 137 OE1 GLN A 175 6.560 8.606 -5.341 1.00 0.00 O ATOM 138 NE2 GLN A 175 4.609 7.504 -5.416 1.00 0.00 N ATOM 0 H GLN A 175 10.400 5.862 -6.682 1.00 0.00 H new ATOM 0 HA GLN A 175 8.459 4.207 -5.747 1.00 0.00 H new ATOM 0 HB2 GLN A 175 8.727 6.722 -5.403 1.00 0.00 H new ATOM 0 HB3 GLN A 175 7.976 6.961 -6.969 1.00 0.00 H new ATOM 0 HG2 GLN A 175 6.028 5.507 -6.017 1.00 0.00 H new ATOM 0 HG3 GLN A 175 6.748 5.823 -4.451 1.00 0.00 H new ATOM 0 HE21 GLN A 175 4.130 6.605 -5.469 1.00 0.00 H new ATOM 0 HE22 GLN A 175 4.068 8.368 -5.372 1.00 0.00 H new ATOM 147 N ASN A 176 7.956 4.835 -8.945 1.00 0.00 N ATOM 148 CA ASN A 176 7.101 4.490 -10.087 1.00 0.00 C ATOM 149 C ASN A 176 6.983 2.974 -10.260 1.00 0.00 C ATOM 150 O ASN A 176 5.876 2.429 -10.321 1.00 0.00 O ATOM 151 CB ASN A 176 7.633 5.132 -11.376 1.00 0.00 C ATOM 152 CG ASN A 176 7.496 6.646 -11.378 1.00 0.00 C ATOM 153 OD1 ASN A 176 7.503 7.289 -10.326 1.00 0.00 O ATOM 154 ND2 ASN A 176 7.388 7.234 -12.561 1.00 0.00 N ATOM 0 H ASN A 176 8.774 5.397 -9.180 1.00 0.00 H new ATOM 0 HA ASN A 176 6.105 4.884 -9.883 1.00 0.00 H new ATOM 0 HB2 ASN A 176 8.682 4.866 -11.503 1.00 0.00 H new ATOM 0 HB3 ASN A 176 7.095 4.722 -12.230 1.00 0.00 H new ATOM 0 HD21 ASN A 176 7.307 8.249 -12.621 1.00 0.00 H new ATOM 0 HD22 ASN A 176 7.386 6.671 -13.412 1.00 0.00 H new ATOM 161 N ASN A 177 8.122 2.293 -10.294 1.00 0.00 N ATOM 162 CA ASN A 177 8.138 0.835 -10.406 1.00 0.00 C ATOM 163 C ASN A 177 7.572 0.217 -9.140 1.00 0.00 C ATOM 164 O ASN A 177 6.883 -0.803 -9.178 1.00 0.00 O ATOM 165 CB ASN A 177 9.561 0.321 -10.636 1.00 0.00 C ATOM 166 CG ASN A 177 10.144 0.782 -11.955 1.00 0.00 C ATOM 167 OD1 ASN A 177 10.757 1.848 -12.034 1.00 0.00 O ATOM 168 ND2 ASN A 177 9.963 -0.010 -13.000 1.00 0.00 N ATOM 0 H ASN A 177 9.046 2.723 -10.246 1.00 0.00 H new ATOM 0 HA ASN A 177 7.524 0.549 -11.260 1.00 0.00 H new ATOM 0 HB2 ASN A 177 10.201 0.661 -9.822 1.00 0.00 H new ATOM 0 HB3 ASN A 177 9.558 -0.769 -10.606 1.00 0.00 H new ATOM 0 HD21 ASN A 177 10.337 0.255 -13.911 1.00 0.00 H new ATOM 0 HD22 ASN A 177 9.450 -0.885 -12.894 1.00 0.00 H new ATOM 175 N PHE A 178 7.867 0.862 -8.022 1.00 0.00 N ATOM 176 CA PHE A 178 7.362 0.449 -6.724 1.00 0.00 C ATOM 177 C PHE A 178 5.831 0.447 -6.700 1.00 0.00 C ATOM 178 O PHE A 178 5.215 -0.472 -6.170 1.00 0.00 O ATOM 179 CB PHE A 178 7.932 1.384 -5.653 1.00 0.00 C ATOM 180 CG PHE A 178 7.195 1.366 -4.349 1.00 0.00 C ATOM 181 CD1 PHE A 178 7.456 0.398 -3.396 1.00 0.00 C ATOM 182 CD2 PHE A 178 6.249 2.336 -4.074 1.00 0.00 C ATOM 183 CE1 PHE A 178 6.781 0.401 -2.190 1.00 0.00 C ATOM 184 CE2 PHE A 178 5.576 2.344 -2.878 1.00 0.00 C ATOM 185 CZ PHE A 178 5.842 1.380 -1.931 1.00 0.00 C ATOM 0 H PHE A 178 8.465 1.688 -7.990 1.00 0.00 H new ATOM 0 HA PHE A 178 7.682 -0.573 -6.520 1.00 0.00 H new ATOM 0 HB2 PHE A 178 8.972 1.114 -5.471 1.00 0.00 H new ATOM 0 HB3 PHE A 178 7.931 2.402 -6.041 1.00 0.00 H new ATOM 0 HD1 PHE A 178 8.193 -0.366 -3.596 1.00 0.00 H new ATOM 0 HD2 PHE A 178 6.037 3.097 -4.810 1.00 0.00 H new ATOM 0 HE1 PHE A 178 6.987 -0.360 -1.452 1.00 0.00 H new ATOM 0 HE2 PHE A 178 4.837 3.107 -2.679 1.00 0.00 H new ATOM 0 HZ PHE A 178 5.317 1.390 -0.987 1.00 0.00 H new ATOM 195 N VAL A 179 5.227 1.471 -7.286 1.00 0.00 N ATOM 196 CA VAL A 179 3.777 1.582 -7.335 1.00 0.00 C ATOM 197 C VAL A 179 3.182 0.433 -8.144 1.00 0.00 C ATOM 198 O VAL A 179 2.163 -0.136 -7.765 1.00 0.00 O ATOM 199 CB VAL A 179 3.318 2.945 -7.918 1.00 0.00 C ATOM 200 CG1 VAL A 179 1.799 3.022 -8.017 1.00 0.00 C ATOM 201 CG2 VAL A 179 3.825 4.090 -7.058 1.00 0.00 C ATOM 0 H VAL A 179 5.722 2.241 -7.736 1.00 0.00 H new ATOM 0 HA VAL A 179 3.412 1.524 -6.310 1.00 0.00 H new ATOM 0 HB VAL A 179 3.738 3.030 -8.920 1.00 0.00 H new ATOM 0 HG11 VAL A 179 1.510 3.989 -8.429 1.00 0.00 H new ATOM 0 HG12 VAL A 179 1.436 2.227 -8.668 1.00 0.00 H new ATOM 0 HG13 VAL A 179 1.363 2.905 -7.025 1.00 0.00 H new ATOM 0 HG21 VAL A 179 3.494 5.038 -7.482 1.00 0.00 H new ATOM 0 HG22 VAL A 179 3.431 3.987 -6.047 1.00 0.00 H new ATOM 0 HG23 VAL A 179 4.914 4.067 -7.027 1.00 0.00 H new ATOM 211 N HIS A 180 3.822 0.057 -9.238 1.00 0.00 N ATOM 212 CA HIS A 180 3.328 -1.075 -10.009 1.00 0.00 C ATOM 213 C HIS A 180 3.494 -2.372 -9.230 1.00 0.00 C ATOM 214 O HIS A 180 2.516 -3.061 -8.948 1.00 0.00 O ATOM 215 CB HIS A 180 4.036 -1.214 -11.354 1.00 0.00 C ATOM 216 CG HIS A 180 3.876 -0.029 -12.254 1.00 0.00 C ATOM 217 ND1 HIS A 180 4.945 0.506 -12.929 1.00 0.00 N ATOM 218 CD2 HIS A 180 2.760 0.671 -12.563 1.00 0.00 C ATOM 219 CE1 HIS A 180 4.462 1.516 -13.630 1.00 0.00 C ATOM 220 NE2 HIS A 180 3.139 1.654 -13.440 1.00 0.00 N ATOM 0 H HIS A 180 4.662 0.503 -9.606 1.00 0.00 H new ATOM 0 HA HIS A 180 2.271 -0.883 -10.195 1.00 0.00 H new ATOM 0 HB2 HIS A 180 5.098 -1.382 -11.178 1.00 0.00 H new ATOM 0 HB3 HIS A 180 3.654 -2.098 -11.864 1.00 0.00 H new ATOM 0 HD2 HIS A 180 1.763 0.490 -12.190 1.00 0.00 H new ATOM 0 HE1 HIS A 180 5.054 2.150 -14.273 1.00 0.00 H new ATOM 0 HE2 HIS A 180 2.533 2.355 -13.866 1.00 0.00 H new ATOM 227 N ASP A 181 4.733 -2.688 -8.866 1.00 0.00 N ATOM 228 CA ASP A 181 5.047 -3.964 -8.223 1.00 0.00 C ATOM 229 C ASP A 181 4.374 -4.119 -6.866 1.00 0.00 C ATOM 230 O ASP A 181 3.721 -5.129 -6.601 1.00 0.00 O ATOM 231 CB ASP A 181 6.561 -4.132 -8.059 1.00 0.00 C ATOM 232 CG ASP A 181 7.242 -4.566 -9.339 1.00 0.00 C ATOM 233 OD1 ASP A 181 7.572 -3.701 -10.172 1.00 0.00 O ATOM 234 OD2 ASP A 181 7.448 -5.783 -9.522 1.00 0.00 O ATOM 0 H ASP A 181 5.539 -2.078 -9.005 1.00 0.00 H new ATOM 0 HA ASP A 181 4.657 -4.741 -8.880 1.00 0.00 H new ATOM 0 HB2 ASP A 181 6.993 -3.189 -7.724 1.00 0.00 H new ATOM 0 HB3 ASP A 181 6.759 -4.868 -7.279 1.00 0.00 H new ATOM 239 N CYS A 182 4.521 -3.122 -6.016 1.00 0.00 N ATOM 240 CA CYS A 182 4.045 -3.221 -4.647 1.00 0.00 C ATOM 241 C CYS A 182 2.543 -2.978 -4.531 1.00 0.00 C ATOM 242 O CYS A 182 1.872 -3.676 -3.774 1.00 0.00 O ATOM 243 CB CYS A 182 4.831 -2.271 -3.744 1.00 0.00 C ATOM 244 SG CYS A 182 3.979 -1.838 -2.202 1.00 0.00 S ATOM 0 H CYS A 182 4.966 -2.234 -6.247 1.00 0.00 H new ATOM 0 HA CYS A 182 4.217 -4.245 -4.315 1.00 0.00 H new ATOM 0 HB2 CYS A 182 5.790 -2.729 -3.500 1.00 0.00 H new ATOM 0 HB3 CYS A 182 5.046 -1.356 -4.297 1.00 0.00 H new ATOM 249 N VAL A 183 1.988 -2.023 -5.274 1.00 0.00 N ATOM 250 CA VAL A 183 0.541 -1.820 -5.224 1.00 0.00 C ATOM 251 C VAL A 183 -0.156 -3.011 -5.867 1.00 0.00 C ATOM 252 O VAL A 183 -1.320 -3.297 -5.598 1.00 0.00 O ATOM 253 CB VAL A 183 0.095 -0.500 -5.886 1.00 0.00 C ATOM 254 CG1 VAL A 183 -1.412 -0.317 -5.793 1.00 0.00 C ATOM 255 CG2 VAL A 183 0.806 0.667 -5.238 1.00 0.00 C ATOM 0 H VAL A 183 2.497 -1.397 -5.898 1.00 0.00 H new ATOM 0 HA VAL A 183 0.254 -1.743 -4.175 1.00 0.00 H new ATOM 0 HB VAL A 183 0.361 -0.542 -6.942 1.00 0.00 H new ATOM 0 HG11 VAL A 183 -1.694 0.622 -6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 183 -1.911 -1.144 -6.298 1.00 0.00 H new ATOM 0 HG13 VAL A 183 -1.712 -0.298 -4.745 1.00 0.00 H new ATOM 0 HG21 VAL A 183 0.486 1.596 -5.711 1.00 0.00 H new ATOM 0 HG22 VAL A 183 0.562 0.697 -4.176 1.00 0.00 H new ATOM 0 HG23 VAL A 183 1.883 0.550 -5.360 1.00 0.00 H new ATOM 265 N ASN A 184 0.580 -3.721 -6.703 1.00 0.00 N ATOM 266 CA ASN A 184 0.085 -4.979 -7.232 1.00 0.00 C ATOM 267 C ASN A 184 -0.046 -5.997 -6.108 1.00 0.00 C ATOM 268 O ASN A 184 -1.144 -6.456 -5.811 1.00 0.00 O ATOM 269 CB ASN A 184 1.015 -5.535 -8.312 1.00 0.00 C ATOM 270 CG ASN A 184 0.358 -5.586 -9.676 1.00 0.00 C ATOM 271 OD1 ASN A 184 -0.302 -6.564 -10.020 1.00 0.00 O ATOM 272 ND2 ASN A 184 0.549 -4.542 -10.465 1.00 0.00 N ATOM 0 H ASN A 184 1.510 -3.453 -7.027 1.00 0.00 H new ATOM 0 HA ASN A 184 -0.891 -4.792 -7.681 1.00 0.00 H new ATOM 0 HB2 ASN A 184 1.912 -4.918 -8.367 1.00 0.00 H new ATOM 0 HB3 ASN A 184 1.336 -6.538 -8.029 1.00 0.00 H new ATOM 0 HD21 ASN A 184 0.141 -4.528 -11.400 1.00 0.00 H new ATOM 0 HD22 ASN A 184 1.104 -3.751 -10.139 1.00 0.00 H new ATOM 279 N ILE A 185 1.063 -6.277 -5.428 1.00 0.00 N ATOM 280 CA ILE A 185 1.095 -7.310 -4.394 1.00 0.00 C ATOM 281 C ILE A 185 0.191 -6.975 -3.216 1.00 0.00 C ATOM 282 O ILE A 185 -0.342 -7.866 -2.565 1.00 0.00 O ATOM 283 CB ILE A 185 2.529 -7.591 -3.886 1.00 0.00 C ATOM 284 CG1 ILE A 185 3.195 -6.346 -3.289 1.00 0.00 C ATOM 285 CG2 ILE A 185 3.384 -8.157 -5.005 1.00 0.00 C ATOM 286 CD1 ILE A 185 3.036 -6.227 -1.784 1.00 0.00 C ATOM 0 H ILE A 185 1.954 -5.802 -5.574 1.00 0.00 H new ATOM 0 HA ILE A 185 0.718 -8.213 -4.873 1.00 0.00 H new ATOM 0 HB ILE A 185 2.445 -8.326 -3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 185 4.257 -6.362 -3.532 1.00 0.00 H new ATOM 0 HG13 ILE A 185 2.773 -5.458 -3.761 1.00 0.00 H new ATOM 0 HG21 ILE A 185 4.390 -8.350 -4.632 1.00 0.00 H new ATOM 0 HG22 ILE A 185 2.945 -9.088 -5.363 1.00 0.00 H new ATOM 0 HG23 ILE A 185 3.432 -7.440 -5.825 1.00 0.00 H new ATOM 0 HD11 ILE A 185 3.534 -5.322 -1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 185 1.976 -6.178 -1.533 1.00 0.00 H new ATOM 0 HD13 ILE A 185 3.484 -7.096 -1.301 1.00 0.00 H new ATOM 298 N THR A 186 0.050 -5.698 -2.935 1.00 0.00 N ATOM 299 CA THR A 186 -0.876 -5.240 -1.906 1.00 0.00 C ATOM 300 C THR A 186 -2.331 -5.479 -2.301 1.00 0.00 C ATOM 301 O THR A 186 -3.174 -5.747 -1.446 1.00 0.00 O ATOM 302 CB THR A 186 -0.636 -3.763 -1.554 1.00 0.00 C ATOM 303 OG1 THR A 186 -0.429 -3.003 -2.741 1.00 0.00 O ATOM 304 CG2 THR A 186 0.575 -3.620 -0.659 1.00 0.00 C ATOM 0 H THR A 186 0.564 -4.951 -3.403 1.00 0.00 H new ATOM 0 HA THR A 186 -0.680 -5.835 -1.014 1.00 0.00 H new ATOM 0 HB THR A 186 -1.516 -3.392 -1.029 1.00 0.00 H new ATOM 0 HG1 THR A 186 0.526 -2.995 -2.962 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.729 -2.568 -0.421 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.415 -4.181 0.262 1.00 0.00 H new ATOM 0 HG23 THR A 186 1.455 -4.008 -1.172 1.00 0.00 H new ATOM 312 N VAL A 187 -2.632 -5.395 -3.588 1.00 0.00 N ATOM 313 CA VAL A 187 -3.959 -5.790 -4.069 1.00 0.00 C ATOM 314 C VAL A 187 -4.154 -7.284 -3.858 1.00 0.00 C ATOM 315 O VAL A 187 -5.193 -7.722 -3.363 1.00 0.00 O ATOM 316 CB VAL A 187 -4.196 -5.460 -5.566 1.00 0.00 C ATOM 317 CG1 VAL A 187 -5.434 -6.183 -6.084 1.00 0.00 C ATOM 318 CG2 VAL A 187 -4.352 -3.966 -5.781 1.00 0.00 C ATOM 0 H VAL A 187 -1.993 -5.064 -4.311 1.00 0.00 H new ATOM 0 HA VAL A 187 -4.681 -5.212 -3.493 1.00 0.00 H new ATOM 0 HB VAL A 187 -3.322 -5.801 -6.121 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -5.584 -5.939 -7.136 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -5.298 -7.259 -5.977 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -6.306 -5.868 -5.511 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -4.517 -3.766 -6.840 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -5.204 -3.603 -5.206 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -3.447 -3.455 -5.452 1.00 0.00 H new ATOM 328 N LYS A 188 -3.143 -8.064 -4.230 1.00 0.00 N ATOM 329 CA LYS A 188 -3.162 -9.491 -3.992 1.00 0.00 C ATOM 330 C LYS A 188 -3.349 -9.748 -2.497 1.00 0.00 C ATOM 331 O LYS A 188 -4.089 -10.635 -2.098 1.00 0.00 O ATOM 332 CB LYS A 188 -1.864 -10.139 -4.488 1.00 0.00 C ATOM 333 CG LYS A 188 -1.758 -10.328 -6.005 1.00 0.00 C ATOM 334 CD LYS A 188 -1.667 -9.004 -6.747 1.00 0.00 C ATOM 335 CE LYS A 188 -1.304 -9.177 -8.215 1.00 0.00 C ATOM 336 NZ LYS A 188 -2.238 -10.095 -8.921 1.00 0.00 N ATOM 0 H LYS A 188 -2.302 -7.725 -4.698 1.00 0.00 H new ATOM 0 HA LYS A 188 -3.991 -9.936 -4.543 1.00 0.00 H new ATOM 0 HB2 LYS A 188 -1.024 -9.529 -4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 188 -1.759 -11.113 -4.010 1.00 0.00 H new ATOM 0 HG2 LYS A 188 -0.879 -10.931 -6.233 1.00 0.00 H new ATOM 0 HG3 LYS A 188 -2.626 -10.883 -6.361 1.00 0.00 H new ATOM 0 HD2 LYS A 188 -2.622 -8.484 -6.672 1.00 0.00 H new ATOM 0 HD3 LYS A 188 -0.921 -8.372 -6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 188 -1.313 -8.204 -8.707 1.00 0.00 H new ATOM 0 HE3 LYS A 188 -0.288 -9.565 -8.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 -2.059 -10.052 -9.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 -2.090 -11.068 -8.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 -3.219 -9.808 -8.729 1.00 0.00 H new ATOM 350 N GLN A 189 -2.690 -8.924 -1.691 1.00 0.00 N ATOM 351 CA GLN A 189 -2.793 -8.969 -0.234 1.00 0.00 C ATOM 352 C GLN A 189 -4.243 -8.820 0.213 1.00 0.00 C ATOM 353 O GLN A 189 -4.780 -9.655 0.944 1.00 0.00 O ATOM 354 CB GLN A 189 -1.974 -7.817 0.362 1.00 0.00 C ATOM 355 CG GLN A 189 -1.715 -7.931 1.850 1.00 0.00 C ATOM 356 CD GLN A 189 -0.463 -8.734 2.150 1.00 0.00 C ATOM 357 OE1 GLN A 189 -0.369 -9.392 3.180 1.00 0.00 O ATOM 358 NE2 GLN A 189 0.513 -8.670 1.253 1.00 0.00 N ATOM 0 H GLN A 189 -2.062 -8.197 -2.033 1.00 0.00 H new ATOM 0 HA GLN A 189 -2.414 -9.931 0.111 1.00 0.00 H new ATOM 0 HB2 GLN A 189 -1.017 -7.763 -0.157 1.00 0.00 H new ATOM 0 HB3 GLN A 189 -2.495 -6.880 0.168 1.00 0.00 H new ATOM 0 HG2 GLN A 189 -1.617 -6.933 2.278 1.00 0.00 H new ATOM 0 HG3 GLN A 189 -2.572 -8.402 2.332 1.00 0.00 H new ATOM 0 HE21 GLN A 189 0.394 -8.110 0.409 1.00 0.00 H new ATOM 0 HE22 GLN A 189 1.382 -9.181 1.408 1.00 0.00 H new ATOM 367 N HIS A 190 -4.870 -7.745 -0.239 1.00 0.00 N ATOM 368 CA HIS A 190 -6.228 -7.427 0.161 1.00 0.00 C ATOM 369 C HIS A 190 -7.213 -8.469 -0.354 1.00 0.00 C ATOM 370 O HIS A 190 -8.087 -8.929 0.382 1.00 0.00 O ATOM 371 CB HIS A 190 -6.608 -6.037 -0.338 1.00 0.00 C ATOM 372 CG HIS A 190 -6.870 -5.071 0.779 1.00 0.00 C ATOM 373 ND1 HIS A 190 -7.528 -3.885 0.569 1.00 0.00 N ATOM 374 CD2 HIS A 190 -6.525 -5.159 2.086 1.00 0.00 C ATOM 375 CE1 HIS A 190 -7.568 -3.279 1.741 1.00 0.00 C ATOM 376 NE2 HIS A 190 -6.973 -4.012 2.692 1.00 0.00 N ATOM 0 H HIS A 190 -4.455 -7.075 -0.887 1.00 0.00 H new ATOM 0 HA HIS A 190 -6.275 -7.437 1.250 1.00 0.00 H new ATOM 0 HB2 HIS A 190 -5.806 -5.650 -0.967 1.00 0.00 H new ATOM 0 HB3 HIS A 190 -7.497 -6.111 -0.964 1.00 0.00 H new ATOM 0 HD2 HIS A 190 -5.999 -5.975 2.560 1.00 0.00 H new ATOM 0 HE1 HIS A 190 -8.023 -2.314 1.912 1.00 0.00 H new ATOM 0 HE2 HIS A 190 -6.872 -3.765 3.677 1.00 0.00 H new ATOM 383 N THR A 191 -7.057 -8.862 -1.609 1.00 0.00 N ATOM 384 CA THR A 191 -7.930 -9.867 -2.194 1.00 0.00 C ATOM 385 C THR A 191 -7.753 -11.224 -1.490 1.00 0.00 C ATOM 386 O THR A 191 -8.722 -11.959 -1.279 1.00 0.00 O ATOM 387 CB THR A 191 -7.694 -10.011 -3.705 1.00 0.00 C ATOM 388 OG1 THR A 191 -6.308 -10.251 -3.975 1.00 0.00 O ATOM 389 CG2 THR A 191 -8.142 -8.758 -4.439 1.00 0.00 C ATOM 0 H THR A 191 -6.339 -8.503 -2.238 1.00 0.00 H new ATOM 0 HA THR A 191 -8.957 -9.531 -2.048 1.00 0.00 H new ATOM 0 HB THR A 191 -8.281 -10.859 -4.058 1.00 0.00 H new ATOM 0 HG1 THR A 191 -5.799 -9.426 -3.831 1.00 0.00 H new ATOM 0 HG21 THR A 191 -7.966 -8.880 -5.508 1.00 0.00 H new ATOM 0 HG22 THR A 191 -9.205 -8.593 -4.262 1.00 0.00 H new ATOM 0 HG23 THR A 191 -7.576 -7.901 -4.074 1.00 0.00 H new ATOM 397 N VAL A 192 -6.517 -11.542 -1.099 1.00 0.00 N ATOM 398 CA VAL A 192 -6.257 -12.729 -0.286 1.00 0.00 C ATOM 399 C VAL A 192 -6.971 -12.596 1.055 1.00 0.00 C ATOM 400 O VAL A 192 -7.497 -13.569 1.587 1.00 0.00 O ATOM 401 CB VAL A 192 -4.738 -12.972 -0.062 1.00 0.00 C ATOM 402 CG1 VAL A 192 -4.500 -13.955 1.076 1.00 0.00 C ATOM 403 CG2 VAL A 192 -4.090 -13.500 -1.334 1.00 0.00 C ATOM 0 H VAL A 192 -5.686 -10.997 -1.331 1.00 0.00 H new ATOM 0 HA VAL A 192 -6.642 -13.592 -0.829 1.00 0.00 H new ATOM 0 HB VAL A 192 -4.286 -12.016 0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 192 -3.429 -14.105 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 192 -4.928 -13.557 1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 192 -4.973 -14.908 0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 192 -3.027 -13.665 -1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 192 -4.561 -14.441 -1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 192 -4.218 -12.773 -2.136 1.00 0.00 H new ATOM 413 N THR A 193 -7.016 -11.376 1.575 1.00 0.00 N ATOM 414 CA THR A 193 -7.750 -11.092 2.801 1.00 0.00 C ATOM 415 C THR A 193 -9.238 -11.390 2.612 1.00 0.00 C ATOM 416 O THR A 193 -9.900 -11.920 3.505 1.00 0.00 O ATOM 417 CB THR A 193 -7.560 -9.625 3.232 1.00 0.00 C ATOM 418 OG1 THR A 193 -6.161 -9.328 3.329 1.00 0.00 O ATOM 419 CG2 THR A 193 -8.234 -9.351 4.570 1.00 0.00 C ATOM 0 H THR A 193 -6.551 -10.566 1.165 1.00 0.00 H new ATOM 0 HA THR A 193 -7.354 -11.736 3.586 1.00 0.00 H new ATOM 0 HB THR A 193 -8.023 -8.987 2.479 1.00 0.00 H new ATOM 0 HG1 THR A 193 -5.761 -9.341 2.434 1.00 0.00 H new ATOM 0 HG21 THR A 193 -8.082 -8.308 4.847 1.00 0.00 H new ATOM 0 HG22 THR A 193 -9.302 -9.553 4.488 1.00 0.00 H new ATOM 0 HG23 THR A 193 -7.801 -9.996 5.334 1.00 0.00 H new ATOM 427 N THR A 194 -9.769 -11.069 1.440 1.00 0.00 N ATOM 428 CA THR A 194 -11.152 -11.398 1.142 1.00 0.00 C ATOM 429 C THR A 194 -11.326 -12.879 0.829 1.00 0.00 C ATOM 430 O THR A 194 -12.443 -13.397 0.849 1.00 0.00 O ATOM 431 CB THR A 194 -11.712 -10.556 -0.005 1.00 0.00 C ATOM 432 OG1 THR A 194 -10.741 -10.399 -1.040 1.00 0.00 O ATOM 433 CG2 THR A 194 -12.139 -9.199 0.501 1.00 0.00 C ATOM 0 H THR A 194 -9.270 -10.588 0.691 1.00 0.00 H new ATOM 0 HA THR A 194 -11.719 -11.164 2.043 1.00 0.00 H new ATOM 0 HB THR A 194 -12.578 -11.076 -0.414 1.00 0.00 H new ATOM 0 HG1 THR A 194 -10.307 -11.260 -1.215 1.00 0.00 H new ATOM 0 HG21 THR A 194 -12.536 -8.610 -0.326 1.00 0.00 H new ATOM 0 HG22 THR A 194 -12.910 -9.320 1.262 1.00 0.00 H new ATOM 0 HG23 THR A 194 -11.280 -8.685 0.933 1.00 0.00 H new ATOM 441 N THR A 195 -10.230 -13.550 0.530 1.00 0.00 N ATOM 442 CA THR A 195 -10.242 -14.991 0.403 1.00 0.00 C ATOM 443 C THR A 195 -10.245 -15.641 1.789 1.00 0.00 C ATOM 444 O THR A 195 -10.861 -16.682 2.003 1.00 0.00 O ATOM 445 CB THR A 195 -9.032 -15.481 -0.411 1.00 0.00 C ATOM 446 OG1 THR A 195 -9.149 -15.036 -1.768 1.00 0.00 O ATOM 447 CG2 THR A 195 -8.928 -16.994 -0.372 1.00 0.00 C ATOM 0 H THR A 195 -9.320 -13.118 0.371 1.00 0.00 H new ATOM 0 HA THR A 195 -11.149 -15.280 -0.128 1.00 0.00 H new ATOM 0 HB THR A 195 -8.128 -15.065 0.033 1.00 0.00 H new ATOM 0 HG1 THR A 195 -9.916 -15.475 -2.191 1.00 0.00 H new ATOM 0 HG21 THR A 195 -8.065 -17.315 -0.955 1.00 0.00 H new ATOM 0 HG22 THR A 195 -8.812 -17.324 0.660 1.00 0.00 H new ATOM 0 HG23 THR A 195 -9.833 -17.432 -0.793 1.00 0.00 H new ATOM 455 N THR A 196 -9.582 -15.006 2.740 1.00 0.00 N ATOM 456 CA THR A 196 -9.520 -15.538 4.085 1.00 0.00 C ATOM 457 C THR A 196 -10.718 -15.081 4.919 1.00 0.00 C ATOM 458 O THR A 196 -10.993 -15.642 5.979 1.00 0.00 O ATOM 459 CB THR A 196 -8.202 -15.145 4.783 1.00 0.00 C ATOM 460 OG1 THR A 196 -8.030 -13.723 4.757 1.00 0.00 O ATOM 461 CG2 THR A 196 -7.017 -15.813 4.099 1.00 0.00 C ATOM 0 H THR A 196 -9.083 -14.127 2.605 1.00 0.00 H new ATOM 0 HA THR A 196 -9.554 -16.624 4.004 1.00 0.00 H new ATOM 0 HB THR A 196 -8.251 -15.482 5.819 1.00 0.00 H new ATOM 0 HG1 THR A 196 -8.838 -13.302 4.396 1.00 0.00 H new ATOM 0 HG21 THR A 196 -6.095 -15.525 4.604 1.00 0.00 H new ATOM 0 HG22 THR A 196 -7.133 -16.896 4.146 1.00 0.00 H new ATOM 0 HG23 THR A 196 -6.973 -15.497 3.057 1.00 0.00 H new ATOM 469 N LYS A 197 -11.441 -14.068 4.434 1.00 0.00 N ATOM 470 CA LYS A 197 -12.678 -13.642 5.089 1.00 0.00 C ATOM 471 C LYS A 197 -13.826 -14.580 4.722 1.00 0.00 C ATOM 472 O LYS A 197 -14.999 -14.268 4.933 1.00 0.00 O ATOM 473 CB LYS A 197 -13.041 -12.189 4.727 1.00 0.00 C ATOM 474 CG LYS A 197 -13.662 -11.995 3.347 1.00 0.00 C ATOM 475 CD LYS A 197 -14.167 -10.565 3.173 1.00 0.00 C ATOM 476 CE LYS A 197 -14.908 -10.363 1.855 1.00 0.00 C ATOM 477 NZ LYS A 197 -15.655 -9.071 1.837 1.00 0.00 N ATOM 0 H LYS A 197 -11.194 -13.534 3.601 1.00 0.00 H new ATOM 0 HA LYS A 197 -12.513 -13.686 6.165 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -13.735 -11.808 5.476 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -12.139 -11.580 4.790 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -12.924 -12.221 2.577 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -14.487 -12.695 3.213 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -14.830 -10.314 4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -13.323 -9.877 3.221 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -14.196 -10.384 1.030 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -15.603 -11.188 1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -15.844 -8.793 0.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -16.556 -9.184 2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -15.086 -8.335 2.302 1.00 0.00 H new ATOM 491 N GLY A 198 -13.475 -15.739 4.186 1.00 0.00 N ATOM 492 CA GLY A 198 -14.468 -16.701 3.772 1.00 0.00 C ATOM 493 C GLY A 198 -14.565 -16.805 2.267 1.00 0.00 C ATOM 494 O GLY A 198 -15.571 -17.282 1.745 1.00 0.00 O ATOM 0 H GLY A 198 -12.510 -16.030 4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 198 -14.221 -17.678 4.187 1.00 0.00 H new ATOM 0 HA3 GLY A 198 -15.439 -16.418 4.179 1.00 0.00 H new ATOM 498 N GLU A 199 -13.501 -16.370 1.579 1.00 0.00 N ATOM 499 CA GLU A 199 -13.452 -16.327 0.118 1.00 0.00 C ATOM 500 C GLU A 199 -14.727 -15.726 -0.459 1.00 0.00 C ATOM 501 O GLU A 199 -15.682 -16.419 -0.813 1.00 0.00 O ATOM 502 CB GLU A 199 -13.138 -17.715 -0.437 1.00 0.00 C ATOM 503 CG GLU A 199 -13.330 -17.874 -1.942 1.00 0.00 C ATOM 504 CD GLU A 199 -12.509 -16.896 -2.764 1.00 0.00 C ATOM 505 OE1 GLU A 199 -11.376 -16.560 -2.356 1.00 0.00 O ATOM 506 OE2 GLU A 199 -12.991 -16.478 -3.837 1.00 0.00 O ATOM 0 H GLU A 199 -12.647 -16.037 2.026 1.00 0.00 H new ATOM 0 HA GLU A 199 -12.643 -15.666 -0.194 1.00 0.00 H new ATOM 0 HB2 GLU A 199 -12.105 -17.961 -0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 199 -13.769 -18.443 0.072 1.00 0.00 H new ATOM 0 HG2 GLU A 199 -13.063 -18.891 -2.229 1.00 0.00 H new ATOM 0 HG3 GLU A 199 -14.385 -17.742 -2.182 1.00 0.00 H new ATOM 513 N ASN A 200 -14.723 -14.414 -0.528 1.00 0.00 N ATOM 514 CA ASN A 200 -15.889 -13.662 -0.963 1.00 0.00 C ATOM 515 C ASN A 200 -15.488 -12.576 -1.904 1.00 0.00 C ATOM 516 O ASN A 200 -15.489 -12.813 -3.109 1.00 0.00 O ATOM 517 CB ASN A 200 -16.639 -13.102 0.251 1.00 0.00 C ATOM 518 CG ASN A 200 -17.948 -12.434 -0.116 1.00 0.00 C ATOM 519 OD1 ASN A 200 -18.001 -11.227 -0.350 1.00 0.00 O ATOM 520 ND2 ASN A 200 -19.015 -13.216 -0.160 1.00 0.00 N ATOM 0 H ASN A 200 -13.918 -13.836 -0.287 1.00 0.00 H new ATOM 0 HA ASN A 200 -16.564 -14.331 -1.497 1.00 0.00 H new ATOM 0 HB2 ASN A 200 -16.836 -13.911 0.954 1.00 0.00 H new ATOM 0 HB3 ASN A 200 -16.002 -12.382 0.764 1.00 0.00 H new ATOM 0 HD21 ASN A 200 -19.926 -12.823 -0.395 1.00 0.00 H new ATOM 0 HD22 ASN A 200 -18.926 -14.212 0.041 1.00 0.00 H new ATOM 527 N PHE A 201 -15.115 -11.416 -1.362 1.00 0.00 N ATOM 528 CA PHE A 201 -14.943 -10.207 -2.162 1.00 0.00 C ATOM 529 C PHE A 201 -16.095 -10.041 -3.138 1.00 0.00 C ATOM 530 O PHE A 201 -17.054 -10.811 -3.172 1.00 0.00 O ATOM 531 CB PHE A 201 -13.570 -10.143 -2.860 1.00 0.00 C ATOM 532 CG PHE A 201 -13.110 -11.379 -3.589 1.00 0.00 C ATOM 533 CD1 PHE A 201 -13.532 -11.646 -4.883 1.00 0.00 C ATOM 534 CD2 PHE A 201 -12.235 -12.261 -2.981 1.00 0.00 C ATOM 535 CE1 PHE A 201 -13.089 -12.768 -5.553 1.00 0.00 C ATOM 536 CE2 PHE A 201 -11.792 -13.386 -3.645 1.00 0.00 C ATOM 537 CZ PHE A 201 -12.219 -13.640 -4.933 1.00 0.00 C ATOM 0 H PHE A 201 -14.926 -11.290 -0.368 1.00 0.00 H new ATOM 0 HA PHE A 201 -14.961 -9.359 -1.477 1.00 0.00 H new ATOM 0 HB2 PHE A 201 -13.591 -9.319 -3.573 1.00 0.00 H new ATOM 0 HB3 PHE A 201 -12.820 -9.895 -2.109 1.00 0.00 H new ATOM 0 HD1 PHE A 201 -14.215 -10.968 -5.372 1.00 0.00 H new ATOM 0 HD2 PHE A 201 -11.895 -12.067 -1.975 1.00 0.00 H new ATOM 0 HE1 PHE A 201 -13.423 -12.963 -6.561 1.00 0.00 H new ATOM 0 HE2 PHE A 201 -11.111 -14.068 -3.157 1.00 0.00 H new ATOM 0 HZ PHE A 201 -11.872 -14.520 -5.454 1.00 0.00 H new ATOM 547 N THR A 202 -16.016 -9.000 -3.884 1.00 0.00 N ATOM 548 CA THR A 202 -16.957 -8.694 -4.885 1.00 0.00 C ATOM 549 C THR A 202 -16.270 -7.604 -5.681 1.00 0.00 C ATOM 550 O THR A 202 -15.313 -7.043 -5.149 1.00 0.00 O ATOM 551 CB THR A 202 -18.314 -8.159 -4.331 1.00 0.00 C ATOM 552 OG1 THR A 202 -18.852 -9.032 -3.333 1.00 0.00 O ATOM 553 CG2 THR A 202 -19.338 -7.995 -5.447 1.00 0.00 C ATOM 0 H THR A 202 -15.264 -8.315 -3.807 1.00 0.00 H new ATOM 0 HA THR A 202 -17.223 -9.584 -5.455 1.00 0.00 H new ATOM 0 HB THR A 202 -18.109 -7.187 -3.882 1.00 0.00 H new ATOM 0 HG1 THR A 202 -18.424 -9.911 -3.402 1.00 0.00 H new ATOM 0 HG21 THR A 202 -20.273 -7.621 -5.031 1.00 0.00 H new ATOM 0 HG22 THR A 202 -18.961 -7.288 -6.186 1.00 0.00 H new ATOM 0 HG23 THR A 202 -19.513 -8.959 -5.924 1.00 0.00 H new ATOM 561 N GLU A 203 -16.678 -7.264 -6.891 1.00 0.00 N ATOM 562 CA GLU A 203 -16.035 -6.125 -7.544 1.00 0.00 C ATOM 563 C GLU A 203 -16.136 -4.897 -6.649 1.00 0.00 C ATOM 564 O GLU A 203 -15.231 -4.067 -6.622 1.00 0.00 O ATOM 565 CB GLU A 203 -16.623 -5.831 -8.917 1.00 0.00 C ATOM 566 CG GLU A 203 -16.048 -4.565 -9.546 1.00 0.00 C ATOM 567 CD GLU A 203 -16.745 -4.168 -10.830 1.00 0.00 C ATOM 568 OE1 GLU A 203 -17.782 -3.476 -10.757 1.00 0.00 O ATOM 569 OE2 GLU A 203 -16.257 -4.537 -11.919 1.00 0.00 O ATOM 0 H GLU A 203 -17.413 -7.729 -7.424 1.00 0.00 H new ATOM 0 HA GLU A 203 -14.988 -6.384 -7.699 1.00 0.00 H new ATOM 0 HB2 GLU A 203 -16.434 -6.678 -9.577 1.00 0.00 H new ATOM 0 HB3 GLU A 203 -17.705 -5.729 -8.830 1.00 0.00 H new ATOM 0 HG2 GLU A 203 -16.123 -3.746 -8.831 1.00 0.00 H new ATOM 0 HG3 GLU A 203 -14.988 -4.716 -9.748 1.00 0.00 H new ATOM 576 N THR A 204 -17.210 -4.834 -5.863 1.00 0.00 N ATOM 577 CA THR A 204 -17.378 -3.789 -4.879 1.00 0.00 C ATOM 578 C THR A 204 -16.218 -3.798 -3.899 1.00 0.00 C ATOM 579 O THR A 204 -15.558 -2.780 -3.693 1.00 0.00 O ATOM 580 CB THR A 204 -18.666 -4.008 -4.072 1.00 0.00 C ATOM 581 OG1 THR A 204 -19.767 -4.258 -4.956 1.00 0.00 O ATOM 582 CG2 THR A 204 -18.958 -2.796 -3.208 1.00 0.00 C ATOM 0 H THR A 204 -17.978 -5.505 -5.897 1.00 0.00 H new ATOM 0 HA THR A 204 -17.423 -2.840 -5.413 1.00 0.00 H new ATOM 0 HB THR A 204 -18.529 -4.875 -3.425 1.00 0.00 H new ATOM 0 HG1 THR A 204 -20.583 -4.398 -4.431 1.00 0.00 H new ATOM 0 HG21 THR A 204 -19.874 -2.965 -2.642 1.00 0.00 H new ATOM 0 HG22 THR A 204 -18.130 -2.633 -2.519 1.00 0.00 H new ATOM 0 HG23 THR A 204 -19.081 -1.918 -3.842 1.00 0.00 H new ATOM 590 N ASP A 205 -15.963 -4.963 -3.314 1.00 0.00 N ATOM 591 CA ASP A 205 -14.891 -5.102 -2.346 1.00 0.00 C ATOM 592 C ASP A 205 -13.551 -4.842 -2.985 1.00 0.00 C ATOM 593 O ASP A 205 -12.762 -4.097 -2.453 1.00 0.00 O ATOM 594 CB ASP A 205 -14.846 -6.495 -1.710 1.00 0.00 C ATOM 595 CG ASP A 205 -15.843 -6.697 -0.591 1.00 0.00 C ATOM 596 OD1 ASP A 205 -15.971 -5.804 0.267 1.00 0.00 O ATOM 597 OD2 ASP A 205 -16.463 -7.779 -0.536 1.00 0.00 O ATOM 0 H ASP A 205 -16.485 -5.821 -3.495 1.00 0.00 H new ATOM 0 HA ASP A 205 -15.097 -4.366 -1.569 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -15.028 -7.241 -2.483 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -13.842 -6.674 -1.324 1.00 0.00 H new ATOM 602 N ILE A 206 -13.301 -5.452 -4.132 1.00 0.00 N ATOM 603 CA ILE A 206 -11.970 -5.444 -4.712 1.00 0.00 C ATOM 604 C ILE A 206 -11.584 -4.074 -5.241 1.00 0.00 C ATOM 605 O ILE A 206 -10.456 -3.639 -5.044 1.00 0.00 O ATOM 606 CB ILE A 206 -11.838 -6.519 -5.799 1.00 0.00 C ATOM 607 CG1 ILE A 206 -12.330 -7.840 -5.215 1.00 0.00 C ATOM 608 CG2 ILE A 206 -10.385 -6.645 -6.235 1.00 0.00 C ATOM 609 CD1 ILE A 206 -13.092 -8.722 -6.171 1.00 0.00 C ATOM 0 H ILE A 206 -14.000 -5.957 -4.677 1.00 0.00 H new ATOM 0 HA ILE A 206 -11.269 -5.683 -3.912 1.00 0.00 H new ATOM 0 HB ILE A 206 -12.431 -6.250 -6.673 1.00 0.00 H new ATOM 0 HG12 ILE A 206 -11.470 -8.396 -4.840 1.00 0.00 H new ATOM 0 HG13 ILE A 206 -12.968 -7.624 -4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 206 -10.302 -7.410 -7.007 1.00 0.00 H new ATOM 0 HG22 ILE A 206 -10.040 -5.690 -6.632 1.00 0.00 H new ATOM 0 HG23 ILE A 206 -9.771 -6.925 -5.379 1.00 0.00 H new ATOM 0 HD11 ILE A 206 -13.397 -9.635 -5.659 1.00 0.00 H new ATOM 0 HD12 ILE A 206 -13.976 -8.193 -6.528 1.00 0.00 H new ATOM 0 HD13 ILE A 206 -12.455 -8.976 -7.018 1.00 0.00 H new ATOM 621 N LYS A 207 -12.518 -3.383 -5.873 1.00 0.00 N ATOM 622 CA LYS A 207 -12.265 -2.019 -6.312 1.00 0.00 C ATOM 623 C LYS A 207 -11.977 -1.151 -5.097 1.00 0.00 C ATOM 624 O LYS A 207 -10.975 -0.455 -5.067 1.00 0.00 O ATOM 625 CB LYS A 207 -13.457 -1.493 -7.139 1.00 0.00 C ATOM 626 CG LYS A 207 -14.659 -1.061 -6.311 1.00 0.00 C ATOM 627 CD LYS A 207 -15.921 -0.981 -7.151 1.00 0.00 C ATOM 628 CE LYS A 207 -16.988 -0.149 -6.465 1.00 0.00 C ATOM 629 NZ LYS A 207 -16.559 1.264 -6.301 1.00 0.00 N ATOM 0 H LYS A 207 -13.449 -3.738 -6.092 1.00 0.00 H new ATOM 0 HA LYS A 207 -11.392 -1.989 -6.964 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -13.122 -0.647 -7.738 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -13.772 -2.271 -7.834 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -14.810 -1.766 -5.494 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -14.460 -0.089 -5.860 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -15.687 -0.546 -8.123 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -16.302 -1.985 -7.335 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -17.909 -0.185 -7.048 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -17.212 -0.577 -5.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -17.397 1.872 -6.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -15.968 1.351 -5.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -16.011 1.559 -7.134 1.00 0.00 H new ATOM 643 N ALA A 208 -12.804 -1.268 -4.065 1.00 0.00 N ATOM 644 CA ALA A 208 -12.618 -0.493 -2.852 1.00 0.00 C ATOM 645 C ALA A 208 -11.313 -0.880 -2.165 1.00 0.00 C ATOM 646 O ALA A 208 -10.602 -0.027 -1.635 1.00 0.00 O ATOM 647 CB ALA A 208 -13.800 -0.693 -1.921 1.00 0.00 C ATOM 0 H ALA A 208 -13.609 -1.894 -4.047 1.00 0.00 H new ATOM 0 HA ALA A 208 -12.559 0.563 -3.114 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -13.652 -0.108 -1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -14.714 -0.367 -2.418 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -13.885 -1.748 -1.662 1.00 0.00 H new ATOM 653 N MET A 209 -10.999 -2.168 -2.208 1.00 0.00 N ATOM 654 CA MET A 209 -9.764 -2.689 -1.650 1.00 0.00 C ATOM 655 C MET A 209 -8.572 -2.072 -2.353 1.00 0.00 C ATOM 656 O MET A 209 -7.684 -1.556 -1.705 1.00 0.00 O ATOM 657 CB MET A 209 -9.700 -4.227 -1.742 1.00 0.00 C ATOM 658 CG MET A 209 -10.559 -4.936 -0.698 1.00 0.00 C ATOM 659 SD MET A 209 -10.191 -6.702 -0.535 1.00 0.00 S ATOM 660 CE MET A 209 -10.910 -7.400 -2.024 1.00 0.00 C ATOM 0 H MET A 209 -11.595 -2.879 -2.631 1.00 0.00 H new ATOM 0 HA MET A 209 -9.738 -2.420 -0.594 1.00 0.00 H new ATOM 0 HB2 MET A 209 -10.021 -4.537 -2.736 1.00 0.00 H new ATOM 0 HB3 MET A 209 -8.664 -4.547 -1.627 1.00 0.00 H new ATOM 0 HG2 MET A 209 -10.415 -4.453 0.268 1.00 0.00 H new ATOM 0 HG3 MET A 209 -11.610 -4.815 -0.961 1.00 0.00 H new ATOM 0 HE1 MET A 209 -10.988 -8.482 -1.918 1.00 0.00 H new ATOM 0 HE2 MET A 209 -11.903 -6.978 -2.181 1.00 0.00 H new ATOM 0 HE3 MET A 209 -10.276 -7.164 -2.879 1.00 0.00 H new ATOM 670 N GLU A 210 -8.586 -2.092 -3.684 1.00 0.00 N ATOM 671 CA GLU A 210 -7.493 -1.533 -4.481 1.00 0.00 C ATOM 672 C GLU A 210 -7.241 -0.066 -4.144 1.00 0.00 C ATOM 673 O GLU A 210 -6.105 0.404 -4.216 1.00 0.00 O ATOM 674 CB GLU A 210 -7.784 -1.676 -5.976 1.00 0.00 C ATOM 675 CG GLU A 210 -7.890 -3.116 -6.445 1.00 0.00 C ATOM 676 CD GLU A 210 -8.041 -3.231 -7.945 1.00 0.00 C ATOM 677 OE1 GLU A 210 -8.963 -2.604 -8.506 1.00 0.00 O ATOM 678 OE2 GLU A 210 -7.238 -3.950 -8.573 1.00 0.00 O ATOM 0 H GLU A 210 -9.345 -2.491 -4.236 1.00 0.00 H new ATOM 0 HA GLU A 210 -6.594 -2.099 -4.234 1.00 0.00 H new ATOM 0 HB2 GLU A 210 -8.716 -1.159 -6.206 1.00 0.00 H new ATOM 0 HB3 GLU A 210 -6.995 -1.177 -6.539 1.00 0.00 H new ATOM 0 HG2 GLU A 210 -7.001 -3.663 -6.130 1.00 0.00 H new ATOM 0 HG3 GLU A 210 -8.744 -3.590 -5.961 1.00 0.00 H new ATOM 685 N ARG A 211 -8.292 0.653 -3.765 1.00 0.00 N ATOM 686 CA ARG A 211 -8.148 2.058 -3.384 1.00 0.00 C ATOM 687 C ARG A 211 -7.335 2.155 -2.101 1.00 0.00 C ATOM 688 O ARG A 211 -6.364 2.911 -1.996 1.00 0.00 O ATOM 689 CB ARG A 211 -9.514 2.724 -3.162 1.00 0.00 C ATOM 690 CG ARG A 211 -10.624 2.239 -4.085 1.00 0.00 C ATOM 691 CD ARG A 211 -10.203 2.219 -5.555 1.00 0.00 C ATOM 692 NE ARG A 211 -9.639 3.503 -5.981 1.00 0.00 N ATOM 693 CZ ARG A 211 -8.852 3.664 -7.046 1.00 0.00 C ATOM 694 NH1 ARG A 211 -8.597 2.648 -7.856 1.00 0.00 N ATOM 695 NH2 ARG A 211 -8.324 4.855 -7.310 1.00 0.00 N ATOM 0 H ARG A 211 -9.245 0.293 -3.713 1.00 0.00 H new ATOM 0 HA ARG A 211 -7.640 2.576 -4.198 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -9.820 2.555 -2.130 1.00 0.00 H new ATOM 0 HB3 ARG A 211 -9.401 3.801 -3.289 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -10.928 1.236 -3.785 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -11.495 2.884 -3.970 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -9.467 1.430 -5.711 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -11.066 1.978 -6.176 1.00 0.00 H new ATOM 0 HE ARG A 211 -9.863 4.329 -5.426 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -9.004 1.732 -7.668 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -7.994 2.782 -8.668 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -8.520 5.647 -6.698 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -7.722 4.977 -8.125 1.00 0.00 H new ATOM 709 N VAL A 212 -7.742 1.367 -1.131 1.00 0.00 N ATOM 710 CA VAL A 212 -7.046 1.286 0.138 1.00 0.00 C ATOM 711 C VAL A 212 -5.649 0.727 -0.075 1.00 0.00 C ATOM 712 O VAL A 212 -4.723 1.068 0.638 1.00 0.00 O ATOM 713 CB VAL A 212 -7.808 0.391 1.127 1.00 0.00 C ATOM 714 CG1 VAL A 212 -7.255 0.538 2.537 1.00 0.00 C ATOM 715 CG2 VAL A 212 -9.292 0.706 1.079 1.00 0.00 C ATOM 0 H VAL A 212 -8.563 0.765 -1.197 1.00 0.00 H new ATOM 0 HA VAL A 212 -6.982 2.291 0.556 1.00 0.00 H new ATOM 0 HB VAL A 212 -7.669 -0.649 0.832 1.00 0.00 H new ATOM 0 HG11 VAL A 212 -7.813 -0.107 3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 212 -6.203 0.252 2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 212 -7.352 1.575 2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 212 -9.823 0.066 1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 212 -9.451 1.751 1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 212 -9.669 0.528 0.072 1.00 0.00 H new ATOM 725 N VAL A 213 -5.534 -0.145 -1.063 1.00 0.00 N ATOM 726 CA VAL A 213 -4.281 -0.797 -1.419 1.00 0.00 C ATOM 727 C VAL A 213 -3.255 0.175 -1.992 1.00 0.00 C ATOM 728 O VAL A 213 -2.095 0.168 -1.569 1.00 0.00 O ATOM 729 CB VAL A 213 -4.525 -1.932 -2.433 1.00 0.00 C ATOM 730 CG1 VAL A 213 -3.240 -2.312 -3.132 1.00 0.00 C ATOM 731 CG2 VAL A 213 -5.122 -3.142 -1.744 1.00 0.00 C ATOM 0 H VAL A 213 -6.320 -0.425 -1.650 1.00 0.00 H new ATOM 0 HA VAL A 213 -3.876 -1.206 -0.493 1.00 0.00 H new ATOM 0 HB VAL A 213 -5.232 -1.571 -3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 213 -3.436 -3.115 -3.843 1.00 0.00 H new ATOM 0 HG12 VAL A 213 -2.845 -1.446 -3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 213 -2.511 -2.650 -2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 213 -5.287 -3.933 -2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 213 -4.437 -3.497 -0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 213 -6.072 -2.868 -1.286 1.00 0.00 H new ATOM 741 N GLU A 214 -3.657 0.999 -2.959 1.00 0.00 N ATOM 742 CA GLU A 214 -2.727 1.961 -3.536 1.00 0.00 C ATOM 743 C GLU A 214 -2.179 2.856 -2.438 1.00 0.00 C ATOM 744 O GLU A 214 -0.985 3.130 -2.385 1.00 0.00 O ATOM 745 CB GLU A 214 -3.367 2.795 -4.660 1.00 0.00 C ATOM 746 CG GLU A 214 -4.616 3.554 -4.249 1.00 0.00 C ATOM 747 CD GLU A 214 -5.097 4.514 -5.318 1.00 0.00 C ATOM 748 OE1 GLU A 214 -5.236 4.095 -6.483 1.00 0.00 O ATOM 749 OE2 GLU A 214 -5.339 5.699 -4.995 1.00 0.00 O ATOM 0 H GLU A 214 -4.599 1.019 -3.350 1.00 0.00 H new ATOM 0 HA GLU A 214 -1.909 1.405 -3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 214 -2.630 3.507 -5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 214 -3.616 2.133 -5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 214 -5.410 2.843 -4.022 1.00 0.00 H new ATOM 0 HG3 GLU A 214 -4.414 4.109 -3.333 1.00 0.00 H new ATOM 756 N GLN A 215 -3.051 3.267 -1.531 1.00 0.00 N ATOM 757 CA GLN A 215 -2.631 4.045 -0.379 1.00 0.00 C ATOM 758 C GLN A 215 -1.909 3.177 0.646 1.00 0.00 C ATOM 759 O GLN A 215 -1.095 3.677 1.399 1.00 0.00 O ATOM 760 CB GLN A 215 -3.822 4.756 0.248 1.00 0.00 C ATOM 761 CG GLN A 215 -4.386 5.842 -0.647 1.00 0.00 C ATOM 762 CD GLN A 215 -3.443 7.019 -0.807 1.00 0.00 C ATOM 763 OE1 GLN A 215 -3.499 7.978 -0.039 1.00 0.00 O ATOM 764 NE2 GLN A 215 -2.562 6.956 -1.796 1.00 0.00 N ATOM 0 H GLN A 215 -4.052 3.075 -1.571 1.00 0.00 H new ATOM 0 HA GLN A 215 -1.923 4.799 -0.723 1.00 0.00 H new ATOM 0 HB2 GLN A 215 -4.603 4.027 0.466 1.00 0.00 H new ATOM 0 HB3 GLN A 215 -3.520 5.194 1.199 1.00 0.00 H new ATOM 0 HG2 GLN A 215 -4.604 5.421 -1.628 1.00 0.00 H new ATOM 0 HG3 GLN A 215 -5.331 6.193 -0.233 1.00 0.00 H new ATOM 0 HE21 GLN A 215 -2.545 6.144 -2.413 1.00 0.00 H new ATOM 0 HE22 GLN A 215 -1.901 7.719 -1.940 1.00 0.00 H new ATOM 773 N MET A 216 -2.222 1.890 0.682 1.00 0.00 N ATOM 774 CA MET A 216 -1.563 0.959 1.599 1.00 0.00 C ATOM 775 C MET A 216 -0.073 0.902 1.296 1.00 0.00 C ATOM 776 O MET A 216 0.773 1.121 2.162 1.00 0.00 O ATOM 777 CB MET A 216 -2.157 -0.453 1.458 1.00 0.00 C ATOM 778 CG MET A 216 -1.588 -1.446 2.457 1.00 0.00 C ATOM 779 SD MET A 216 -1.580 -3.158 1.868 1.00 0.00 S ATOM 780 CE MET A 216 -3.307 -3.461 1.498 1.00 0.00 C ATOM 0 H MET A 216 -2.930 1.461 0.086 1.00 0.00 H new ATOM 0 HA MET A 216 -1.722 1.313 2.618 1.00 0.00 H new ATOM 0 HB2 MET A 216 -3.238 -0.399 1.585 1.00 0.00 H new ATOM 0 HB3 MET A 216 -1.973 -0.818 0.448 1.00 0.00 H new ATOM 0 HG2 MET A 216 -0.568 -1.153 2.705 1.00 0.00 H new ATOM 0 HG3 MET A 216 -2.168 -1.392 3.378 1.00 0.00 H new ATOM 0 HE1 MET A 216 -3.387 -4.274 0.776 1.00 0.00 H new ATOM 0 HE2 MET A 216 -3.833 -3.735 2.413 1.00 0.00 H new ATOM 0 HE3 MET A 216 -3.753 -2.559 1.079 1.00 0.00 H new ATOM 790 N CYS A 217 0.215 0.641 0.038 1.00 0.00 N ATOM 791 CA CYS A 217 1.576 0.542 -0.458 1.00 0.00 C ATOM 792 C CYS A 217 2.257 1.907 -0.480 1.00 0.00 C ATOM 793 O CYS A 217 3.387 2.058 -0.027 1.00 0.00 O ATOM 794 CB CYS A 217 1.561 -0.040 -1.864 1.00 0.00 C ATOM 795 SG CYS A 217 3.176 -0.045 -2.678 1.00 0.00 S ATOM 0 H CYS A 217 -0.495 0.490 -0.678 1.00 0.00 H new ATOM 0 HA CYS A 217 2.138 -0.109 0.212 1.00 0.00 H new ATOM 0 HB2 CYS A 217 1.186 -1.062 -1.819 1.00 0.00 H new ATOM 0 HB3 CYS A 217 0.860 0.530 -2.474 1.00 0.00 H new ATOM 800 N ILE A 218 1.554 2.897 -1.004 1.00 0.00 N ATOM 801 CA ILE A 218 2.087 4.247 -1.104 1.00 0.00 C ATOM 802 C ILE A 218 2.333 4.835 0.285 1.00 0.00 C ATOM 803 O ILE A 218 3.253 5.624 0.482 1.00 0.00 O ATOM 804 CB ILE A 218 1.149 5.125 -1.974 1.00 0.00 C ATOM 805 CG1 ILE A 218 1.388 4.779 -3.444 1.00 0.00 C ATOM 806 CG2 ILE A 218 1.356 6.606 -1.735 1.00 0.00 C ATOM 807 CD1 ILE A 218 0.439 5.443 -4.420 1.00 0.00 C ATOM 0 H ILE A 218 0.607 2.791 -1.369 1.00 0.00 H new ATOM 0 HA ILE A 218 3.056 4.220 -1.603 1.00 0.00 H new ATOM 0 HB ILE A 218 0.117 4.911 -1.695 1.00 0.00 H new ATOM 0 HG12 ILE A 218 2.409 5.058 -3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 218 1.312 3.698 -3.564 1.00 0.00 H new ATOM 0 HG21 ILE A 218 0.675 7.175 -2.368 1.00 0.00 H new ATOM 0 HG22 ILE A 218 1.157 6.837 -0.689 1.00 0.00 H new ATOM 0 HG23 ILE A 218 2.385 6.873 -1.976 1.00 0.00 H new ATOM 0 HD11 ILE A 218 0.688 5.136 -5.436 1.00 0.00 H new ATOM 0 HD12 ILE A 218 -0.584 5.146 -4.192 1.00 0.00 H new ATOM 0 HD13 ILE A 218 0.529 6.526 -4.336 1.00 0.00 H new ATOM 819 N THR A 219 1.529 4.419 1.253 1.00 0.00 N ATOM 820 CA THR A 219 1.816 4.704 2.658 1.00 0.00 C ATOM 821 C THR A 219 3.126 4.047 3.101 1.00 0.00 C ATOM 822 O THR A 219 3.920 4.652 3.820 1.00 0.00 O ATOM 823 CB THR A 219 0.665 4.237 3.573 1.00 0.00 C ATOM 824 OG1 THR A 219 -0.443 5.138 3.460 1.00 0.00 O ATOM 825 CG2 THR A 219 1.103 4.138 5.026 1.00 0.00 C ATOM 0 H THR A 219 0.675 3.884 1.096 1.00 0.00 H new ATOM 0 HA THR A 219 1.917 5.785 2.750 1.00 0.00 H new ATOM 0 HB THR A 219 0.365 3.241 3.247 1.00 0.00 H new ATOM 0 HG1 THR A 219 -0.923 4.962 2.624 1.00 0.00 H new ATOM 0 HG21 THR A 219 0.264 3.806 5.637 1.00 0.00 H new ATOM 0 HG22 THR A 219 1.920 3.422 5.112 1.00 0.00 H new ATOM 0 HG23 THR A 219 1.440 5.115 5.372 1.00 0.00 H new ATOM 833 N GLN A 220 3.353 2.815 2.667 1.00 0.00 N ATOM 834 CA GLN A 220 4.602 2.117 2.971 1.00 0.00 C ATOM 835 C GLN A 220 5.779 2.849 2.340 1.00 0.00 C ATOM 836 O GLN A 220 6.870 2.902 2.907 1.00 0.00 O ATOM 837 CB GLN A 220 4.553 0.669 2.485 1.00 0.00 C ATOM 838 CG GLN A 220 3.495 -0.161 3.185 1.00 0.00 C ATOM 839 CD GLN A 220 3.665 -0.183 4.692 1.00 0.00 C ATOM 840 OE1 GLN A 220 4.345 -1.049 5.239 1.00 0.00 O ATOM 841 NE2 GLN A 220 3.051 0.774 5.368 1.00 0.00 N ATOM 0 H GLN A 220 2.693 2.277 2.105 1.00 0.00 H new ATOM 0 HA GLN A 220 4.732 2.105 4.053 1.00 0.00 H new ATOM 0 HB2 GLN A 220 4.362 0.659 1.412 1.00 0.00 H new ATOM 0 HB3 GLN A 220 5.528 0.208 2.639 1.00 0.00 H new ATOM 0 HG2 GLN A 220 2.509 0.235 2.941 1.00 0.00 H new ATOM 0 HG3 GLN A 220 3.531 -1.182 2.805 1.00 0.00 H new ATOM 0 HE21 GLN A 220 2.497 1.473 4.873 1.00 0.00 H new ATOM 0 HE22 GLN A 220 3.132 0.813 6.384 1.00 0.00 H new ATOM 850 N TYR A 221 5.546 3.417 1.164 1.00 0.00 N ATOM 851 CA TYR A 221 6.531 4.274 0.519 1.00 0.00 C ATOM 852 C TYR A 221 6.791 5.516 1.369 1.00 0.00 C ATOM 853 O TYR A 221 7.936 5.958 1.517 1.00 0.00 O ATOM 854 CB TYR A 221 6.050 4.670 -0.884 1.00 0.00 C ATOM 855 CG TYR A 221 6.400 6.085 -1.301 1.00 0.00 C ATOM 856 CD1 TYR A 221 7.683 6.418 -1.712 1.00 0.00 C ATOM 857 CD2 TYR A 221 5.439 7.092 -1.272 1.00 0.00 C ATOM 858 CE1 TYR A 221 7.998 7.711 -2.081 1.00 0.00 C ATOM 859 CE2 TYR A 221 5.748 8.385 -1.639 1.00 0.00 C ATOM 860 CZ TYR A 221 7.028 8.689 -2.043 1.00 0.00 C ATOM 861 OH TYR A 221 7.342 9.980 -2.406 1.00 0.00 O ATOM 0 H TYR A 221 4.681 3.299 0.637 1.00 0.00 H new ATOM 0 HA TYR A 221 7.466 3.723 0.421 1.00 0.00 H new ATOM 0 HB2 TYR A 221 6.477 3.977 -1.608 1.00 0.00 H new ATOM 0 HB3 TYR A 221 4.968 4.550 -0.929 1.00 0.00 H new ATOM 0 HD1 TYR A 221 8.446 5.655 -1.744 1.00 0.00 H new ATOM 0 HD2 TYR A 221 4.433 6.856 -0.956 1.00 0.00 H new ATOM 0 HE1 TYR A 221 9.001 7.955 -2.398 1.00 0.00 H new ATOM 0 HE2 TYR A 221 4.990 9.154 -1.610 1.00 0.00 H new ATOM 0 HH TYR A 221 8.314 10.069 -2.490 1.00 0.00 H new ATOM 871 N GLN A 222 5.719 6.081 1.924 1.00 0.00 N ATOM 872 CA GLN A 222 5.834 7.227 2.812 1.00 0.00 C ATOM 873 C GLN A 222 6.667 6.845 4.021 1.00 0.00 C ATOM 874 O GLN A 222 7.495 7.624 4.488 1.00 0.00 O ATOM 875 CB GLN A 222 4.454 7.717 3.257 1.00 0.00 C ATOM 876 CG GLN A 222 3.588 8.228 2.117 1.00 0.00 C ATOM 877 CD GLN A 222 2.182 8.579 2.564 1.00 0.00 C ATOM 878 OE1 GLN A 222 1.963 8.979 3.706 1.00 0.00 O ATOM 879 NE2 GLN A 222 1.219 8.432 1.668 1.00 0.00 N ATOM 0 H GLN A 222 4.763 5.760 1.771 1.00 0.00 H new ATOM 0 HA GLN A 222 6.321 8.040 2.273 1.00 0.00 H new ATOM 0 HB2 GLN A 222 3.934 6.901 3.759 1.00 0.00 H new ATOM 0 HB3 GLN A 222 4.580 8.514 3.990 1.00 0.00 H new ATOM 0 HG2 GLN A 222 4.056 9.109 1.677 1.00 0.00 H new ATOM 0 HG3 GLN A 222 3.538 7.470 1.336 1.00 0.00 H new ATOM 0 HE21 GLN A 222 1.441 8.097 0.730 1.00 0.00 H new ATOM 0 HE22 GLN A 222 0.254 8.653 1.915 1.00 0.00 H new ATOM 888 N ARG A 223 6.456 5.624 4.503 1.00 0.00 N ATOM 889 CA ARG A 223 7.219 5.098 5.622 1.00 0.00 C ATOM 890 C ARG A 223 8.696 5.025 5.269 1.00 0.00 C ATOM 891 O ARG A 223 9.527 5.389 6.079 1.00 0.00 O ATOM 892 CB ARG A 223 6.708 3.713 6.049 1.00 0.00 C ATOM 893 CG ARG A 223 7.391 3.158 7.302 1.00 0.00 C ATOM 894 CD ARG A 223 8.692 2.427 6.987 1.00 0.00 C ATOM 895 NE ARG A 223 8.508 1.324 6.044 1.00 0.00 N ATOM 896 CZ ARG A 223 9.423 0.962 5.145 1.00 0.00 C ATOM 897 NH1 ARG A 223 10.588 1.597 5.092 1.00 0.00 N ATOM 898 NH2 ARG A 223 9.178 -0.043 4.318 1.00 0.00 N ATOM 0 H ARG A 223 5.758 4.980 4.131 1.00 0.00 H new ATOM 0 HA ARG A 223 7.087 5.779 6.463 1.00 0.00 H new ATOM 0 HB2 ARG A 223 5.635 3.772 6.229 1.00 0.00 H new ATOM 0 HB3 ARG A 223 6.855 3.013 5.227 1.00 0.00 H new ATOM 0 HG2 ARG A 223 7.597 3.977 7.992 1.00 0.00 H new ATOM 0 HG3 ARG A 223 6.710 2.476 7.811 1.00 0.00 H new ATOM 0 HD2 ARG A 223 9.411 3.135 6.575 1.00 0.00 H new ATOM 0 HD3 ARG A 223 9.120 2.041 7.912 1.00 0.00 H new ATOM 0 HE ARG A 223 7.631 0.803 6.076 1.00 0.00 H new ATOM 0 HH11 ARG A 223 10.782 2.361 5.739 1.00 0.00 H new ATOM 0 HH12 ARG A 223 11.289 1.321 4.404 1.00 0.00 H new ATOM 0 HH21 ARG A 223 8.289 -0.540 4.369 1.00 0.00 H new ATOM 0 HH22 ARG A 223 9.878 -0.320 3.630 1.00 0.00 H new ATOM 912 N GLU A 224 9.015 4.543 4.072 1.00 0.00 N ATOM 913 CA GLU A 224 10.410 4.417 3.644 1.00 0.00 C ATOM 914 C GLU A 224 11.109 5.747 3.666 1.00 0.00 C ATOM 915 O GLU A 224 12.114 5.932 4.354 1.00 0.00 O ATOM 916 CB GLU A 224 10.519 3.922 2.208 1.00 0.00 C ATOM 917 CG GLU A 224 11.948 3.548 1.857 1.00 0.00 C ATOM 918 CD GLU A 224 12.257 2.102 2.174 1.00 0.00 C ATOM 919 OE1 GLU A 224 12.607 1.806 3.337 1.00 0.00 O ATOM 920 OE2 GLU A 224 12.137 1.256 1.273 1.00 0.00 O ATOM 0 H GLU A 224 8.332 4.233 3.381 1.00 0.00 H new ATOM 0 HA GLU A 224 10.864 3.711 4.339 1.00 0.00 H new ATOM 0 HB2 GLU A 224 9.871 3.057 2.070 1.00 0.00 H new ATOM 0 HB3 GLU A 224 10.166 4.697 1.527 1.00 0.00 H new ATOM 0 HG2 GLU A 224 12.119 3.729 0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 224 12.635 4.193 2.405 1.00 0.00 H new ATOM 927 N SER A 225 10.602 6.651 2.854 1.00 0.00 N ATOM 928 CA SER A 225 11.210 7.940 2.705 1.00 0.00 C ATOM 929 C SER A 225 11.390 8.578 4.064 1.00 0.00 C ATOM 930 O SER A 225 12.508 8.864 4.454 1.00 0.00 O ATOM 931 CB SER A 225 10.376 8.810 1.767 1.00 0.00 C ATOM 932 OG SER A 225 8.992 8.705 2.060 1.00 0.00 O ATOM 0 H SER A 225 9.766 6.508 2.288 1.00 0.00 H new ATOM 0 HA SER A 225 12.197 7.833 2.255 1.00 0.00 H new ATOM 0 HB2 SER A 225 10.691 9.850 1.856 1.00 0.00 H new ATOM 0 HB3 SER A 225 10.555 8.510 0.734 1.00 0.00 H new ATOM 0 HG SER A 225 8.653 7.844 1.736 1.00 0.00 H new ATOM 938 N GLN A 226 10.307 8.700 4.816 1.00 0.00 N ATOM 939 CA GLN A 226 10.360 9.345 6.124 1.00 0.00 C ATOM 940 C GLN A 226 11.246 8.559 7.079 1.00 0.00 C ATOM 941 O GLN A 226 11.806 9.128 8.015 1.00 0.00 O ATOM 942 CB GLN A 226 8.956 9.510 6.713 1.00 0.00 C ATOM 943 CG GLN A 226 8.382 8.237 7.322 1.00 0.00 C ATOM 944 CD GLN A 226 8.273 8.302 8.832 1.00 0.00 C ATOM 945 OE1 GLN A 226 7.238 8.691 9.372 1.00 0.00 O ATOM 946 NE2 GLN A 226 9.340 7.936 9.526 1.00 0.00 N ATOM 0 H GLN A 226 9.383 8.363 4.547 1.00 0.00 H new ATOM 0 HA GLN A 226 10.792 10.337 5.989 1.00 0.00 H new ATOM 0 HB2 GLN A 226 8.984 10.285 7.479 1.00 0.00 H new ATOM 0 HB3 GLN A 226 8.284 9.860 5.929 1.00 0.00 H new ATOM 0 HG2 GLN A 226 7.395 8.051 6.899 1.00 0.00 H new ATOM 0 HG3 GLN A 226 9.012 7.392 7.044 1.00 0.00 H new ATOM 0 HE21 GLN A 226 10.180 7.619 9.041 1.00 0.00 H new ATOM 0 HE22 GLN A 226 9.322 7.971 10.545 1.00 0.00 H new ATOM 955 N ALA A 227 11.334 7.245 6.859 1.00 0.00 N ATOM 956 CA ALA A 227 12.227 6.390 7.632 1.00 0.00 C ATOM 957 C ALA A 227 13.617 7.006 7.662 1.00 0.00 C ATOM 958 O ALA A 227 14.260 7.057 8.711 1.00 0.00 O ATOM 959 CB ALA A 227 12.267 4.968 7.054 1.00 0.00 C ATOM 0 H ALA A 227 10.794 6.752 6.148 1.00 0.00 H new ATOM 0 HA ALA A 227 11.850 6.315 8.652 1.00 0.00 H new ATOM 0 HB1 ALA A 227 12.941 4.352 7.650 1.00 0.00 H new ATOM 0 HB2 ALA A 227 11.266 4.538 7.077 1.00 0.00 H new ATOM 0 HB3 ALA A 227 12.623 5.004 6.024 1.00 0.00 H new ATOM 965 N TYR A 228 14.082 7.482 6.514 1.00 0.00 N ATOM 966 CA TYR A 228 15.308 8.262 6.482 1.00 0.00 C ATOM 967 C TYR A 228 15.016 9.761 6.622 1.00 0.00 C ATOM 968 O TYR A 228 15.373 10.377 7.620 1.00 0.00 O ATOM 969 CB TYR A 228 16.083 7.993 5.192 1.00 0.00 C ATOM 970 CG TYR A 228 17.425 8.695 5.122 1.00 0.00 C ATOM 971 CD1 TYR A 228 18.365 8.535 6.130 1.00 0.00 C ATOM 972 CD2 TYR A 228 17.757 9.498 4.038 1.00 0.00 C ATOM 973 CE1 TYR A 228 19.596 9.160 6.067 1.00 0.00 C ATOM 974 CE2 TYR A 228 18.986 10.130 3.967 1.00 0.00 C ATOM 975 CZ TYR A 228 19.903 9.956 4.984 1.00 0.00 C ATOM 976 OH TYR A 228 21.135 10.570 4.919 1.00 0.00 O ATOM 0 H TYR A 228 13.636 7.344 5.607 1.00 0.00 H new ATOM 0 HA TYR A 228 15.920 7.955 7.330 1.00 0.00 H new ATOM 0 HB2 TYR A 228 16.240 6.919 5.092 1.00 0.00 H new ATOM 0 HB3 TYR A 228 15.476 8.307 4.343 1.00 0.00 H new ATOM 0 HD1 TYR A 228 18.130 7.911 6.979 1.00 0.00 H new ATOM 0 HD2 TYR A 228 17.044 9.631 3.238 1.00 0.00 H new ATOM 0 HE1 TYR A 228 20.314 9.026 6.862 1.00 0.00 H new ATOM 0 HE2 TYR A 228 19.226 10.756 3.120 1.00 0.00 H new ATOM 0 HH TYR A 228 21.196 11.095 4.093 1.00 0.00 H new ATOM 986 N TYR A 229 14.276 10.274 5.641 1.00 0.00 N ATOM 987 CA TYR A 229 14.069 11.703 5.369 1.00 0.00 C ATOM 988 C TYR A 229 13.487 11.795 3.960 1.00 0.00 C ATOM 989 O TYR A 229 12.385 11.319 3.730 1.00 0.00 O ATOM 990 CB TYR A 229 15.368 12.541 5.432 1.00 0.00 C ATOM 991 CG TYR A 229 15.785 13.005 6.811 1.00 0.00 C ATOM 992 CD1 TYR A 229 14.891 13.656 7.650 1.00 0.00 C ATOM 993 CD2 TYR A 229 17.082 12.796 7.266 1.00 0.00 C ATOM 994 CE1 TYR A 229 15.276 14.087 8.904 1.00 0.00 C ATOM 995 CE2 TYR A 229 17.476 13.221 8.517 1.00 0.00 C ATOM 996 CZ TYR A 229 16.568 13.865 9.333 1.00 0.00 C ATOM 997 OH TYR A 229 16.955 14.290 10.584 1.00 0.00 O ATOM 0 H TYR A 229 13.778 9.679 4.979 1.00 0.00 H new ATOM 0 HA TYR A 229 13.410 12.111 6.135 1.00 0.00 H new ATOM 0 HB2 TYR A 229 16.180 11.951 5.007 1.00 0.00 H new ATOM 0 HB3 TYR A 229 15.244 13.418 4.796 1.00 0.00 H new ATOM 0 HD1 TYR A 229 13.878 13.828 7.317 1.00 0.00 H new ATOM 0 HD2 TYR A 229 17.793 12.292 6.628 1.00 0.00 H new ATOM 0 HE1 TYR A 229 14.570 14.595 9.545 1.00 0.00 H new ATOM 0 HE2 TYR A 229 18.487 13.051 8.856 1.00 0.00 H new ATOM 0 HH TYR A 229 17.895 14.056 10.733 1.00 0.00 H new