USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 732 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 112 THR OG1 : rot -170:sc= 0.0641 USER MOD Set 1.2: A 117 LYS NZ :NH3+ 174:sc= 0.048 (180deg=0) USER MOD Single : A 33 SER OG : rot -34:sc= 0.0267 USER MOD Single : A 34 TYR OH : rot 144:sc= 0.292 USER MOD Single : A 46 ASN : amide:sc= -7.36! C(o=-7.4!,f=-11!) USER MOD Single : A 48 GLN : amide:sc= -3 K(o=-3,f=-4!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0039 X(o=-0.0039,f=0) USER MOD Single : A 55 TYR OH : rot 60:sc= -0.393 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -72:sc= -0.192 USER MOD Single : A 74 LYS NZ :NH3+ -112:sc= -0.699 (180deg=-2.23!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.24 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.352 USER MOD Single : A 81 LYS NZ :NH3+ -156:sc= 1.06 (180deg=-0.263) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0019 USER MOD Single : A 89 THR OG1 : rot 53:sc= -0.164! USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN :FLIP amide:sc= -2.4! C(o=-3.3!,f=-2.4!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 101 N SER A 33 11.352 5.793 1.831 1.00 0.00 N ATOM 102 CA SER A 33 11.437 4.458 2.495 1.00 0.00 C ATOM 103 C SER A 33 10.517 3.448 1.804 1.00 0.00 C ATOM 104 O SER A 33 9.766 3.784 0.904 1.00 0.00 O ATOM 105 CB SER A 33 10.987 4.696 3.942 1.00 0.00 C ATOM 106 OG SER A 33 9.590 4.970 3.970 1.00 0.00 O ATOM 0 HA SER A 33 12.445 4.046 2.445 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.208 3.819 4.551 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.540 5.531 4.373 1.00 0.00 H new ATOM 0 HG SER A 33 9.339 5.471 3.166 1.00 0.00 H new ATOM 112 N TYR A 34 10.574 2.210 2.230 1.00 0.00 N ATOM 113 CA TYR A 34 9.707 1.151 1.624 1.00 0.00 C ATOM 114 C TYR A 34 8.233 1.568 1.714 1.00 0.00 C ATOM 115 O TYR A 34 7.449 1.288 0.827 1.00 0.00 O ATOM 116 CB TYR A 34 9.979 -0.111 2.458 1.00 0.00 C ATOM 117 CG TYR A 34 8.896 -1.143 2.219 1.00 0.00 C ATOM 118 CD1 TYR A 34 8.940 -1.952 1.077 1.00 0.00 C ATOM 119 CD2 TYR A 34 7.850 -1.288 3.139 1.00 0.00 C ATOM 120 CE1 TYR A 34 7.939 -2.906 0.856 1.00 0.00 C ATOM 121 CE2 TYR A 34 6.849 -2.241 2.919 1.00 0.00 C ATOM 122 CZ TYR A 34 6.892 -3.051 1.777 1.00 0.00 C ATOM 123 OH TYR A 34 5.905 -3.991 1.556 1.00 0.00 O ATOM 0 H TYR A 34 11.188 1.885 2.977 1.00 0.00 H new ATOM 0 HA TYR A 34 9.921 0.985 0.568 1.00 0.00 H new ATOM 0 HB2 TYR A 34 10.951 -0.527 2.194 1.00 0.00 H new ATOM 0 HB3 TYR A 34 10.019 0.146 3.517 1.00 0.00 H new ATOM 0 HD1 TYR A 34 9.746 -1.840 0.367 1.00 0.00 H new ATOM 0 HD2 TYR A 34 7.816 -0.663 4.019 1.00 0.00 H new ATOM 0 HE1 TYR A 34 7.974 -3.530 -0.024 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.043 -2.352 3.630 1.00 0.00 H new ATOM 0 HH TYR A 34 5.626 -4.379 2.411 1.00 0.00 H new ATOM 133 N ARG A 35 7.861 2.251 2.770 1.00 0.00 N ATOM 134 CA ARG A 35 6.443 2.705 2.914 1.00 0.00 C ATOM 135 C ARG A 35 6.068 3.637 1.754 1.00 0.00 C ATOM 136 O ARG A 35 4.978 3.566 1.219 1.00 0.00 O ATOM 137 CB ARG A 35 6.394 3.457 4.248 1.00 0.00 C ATOM 138 CG ARG A 35 4.950 3.520 4.751 1.00 0.00 C ATOM 139 CD ARG A 35 4.747 2.488 5.864 1.00 0.00 C ATOM 140 NE ARG A 35 3.373 2.743 6.387 1.00 0.00 N ATOM 141 CZ ARG A 35 2.707 1.783 6.971 1.00 0.00 C ATOM 142 NH1 ARG A 35 2.889 1.542 8.243 1.00 0.00 N ATOM 143 NH2 ARG A 35 1.858 1.065 6.281 1.00 0.00 N ATOM 0 H ARG A 35 8.479 2.513 3.538 1.00 0.00 H new ATOM 0 HA ARG A 35 5.740 1.873 2.895 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.024 2.955 4.983 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.790 4.465 4.123 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.728 4.520 5.124 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.260 3.325 3.930 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.840 1.472 5.481 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.495 2.603 6.649 1.00 0.00 H new ATOM 0 HE ARG A 35 2.954 3.668 6.288 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.551 2.104 8.779 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.369 0.792 8.700 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.717 1.255 5.289 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.337 0.315 6.735 1.00 0.00 H new ATOM 157 N GLU A 36 6.973 4.497 1.357 1.00 0.00 N ATOM 158 CA GLU A 36 6.686 5.427 0.223 1.00 0.00 C ATOM 159 C GLU A 36 6.525 4.631 -1.076 1.00 0.00 C ATOM 160 O GLU A 36 5.661 4.915 -1.882 1.00 0.00 O ATOM 161 CB GLU A 36 7.908 6.345 0.143 1.00 0.00 C ATOM 162 CG GLU A 36 7.548 7.624 -0.621 1.00 0.00 C ATOM 163 CD GLU A 36 7.859 8.846 0.249 1.00 0.00 C ATOM 164 OE1 GLU A 36 8.998 8.978 0.667 1.00 0.00 O ATOM 165 OE2 GLU A 36 6.954 9.626 0.481 1.00 0.00 O ATOM 0 H GLU A 36 7.900 4.595 1.771 1.00 0.00 H new ATOM 0 HA GLU A 36 5.765 5.991 0.370 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.253 6.595 1.146 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.729 5.831 -0.357 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.112 7.675 -1.552 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.491 7.615 -0.889 1.00 0.00 H new ATOM 172 N ALA A 37 7.348 3.629 -1.275 1.00 0.00 N ATOM 173 CA ALA A 37 7.245 2.802 -2.517 1.00 0.00 C ATOM 174 C ALA A 37 5.903 2.060 -2.552 1.00 0.00 C ATOM 175 O ALA A 37 5.309 1.897 -3.600 1.00 0.00 O ATOM 176 CB ALA A 37 8.411 1.811 -2.443 1.00 0.00 C ATOM 0 H ALA A 37 8.087 3.349 -0.630 1.00 0.00 H new ATOM 0 HA ALA A 37 7.292 3.411 -3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.399 1.169 -3.324 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.352 2.359 -2.406 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.312 1.199 -1.547 1.00 0.00 H new ATOM 182 N VAL A 38 5.418 1.618 -1.415 1.00 0.00 N ATOM 183 CA VAL A 38 4.105 0.895 -1.384 1.00 0.00 C ATOM 184 C VAL A 38 2.969 1.864 -1.721 1.00 0.00 C ATOM 185 O VAL A 38 2.054 1.527 -2.447 1.00 0.00 O ATOM 186 CB VAL A 38 3.948 0.360 0.046 1.00 0.00 C ATOM 187 CG1 VAL A 38 2.691 -0.509 0.128 1.00 0.00 C ATOM 188 CG2 VAL A 38 5.163 -0.489 0.430 1.00 0.00 C ATOM 0 H VAL A 38 5.873 1.726 -0.509 1.00 0.00 H new ATOM 0 HA VAL A 38 4.072 0.086 -2.113 1.00 0.00 H new ATOM 0 HB VAL A 38 3.867 1.204 0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.578 -0.890 1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.818 0.088 -0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.781 -1.345 -0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.039 -0.862 1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.251 -1.330 -0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.065 0.121 0.375 1.00 0.00 H new ATOM 198 N LEU A 39 3.030 3.071 -1.208 1.00 0.00 N ATOM 199 CA LEU A 39 1.961 4.073 -1.510 1.00 0.00 C ATOM 200 C LEU A 39 1.925 4.343 -3.017 1.00 0.00 C ATOM 201 O LEU A 39 0.870 4.412 -3.617 1.00 0.00 O ATOM 202 CB LEU A 39 2.360 5.338 -0.742 1.00 0.00 C ATOM 203 CG LEU A 39 2.105 5.132 0.755 1.00 0.00 C ATOM 204 CD1 LEU A 39 3.018 6.055 1.564 1.00 0.00 C ATOM 205 CD2 LEU A 39 0.644 5.457 1.073 1.00 0.00 C ATOM 0 H LEU A 39 3.774 3.404 -0.594 1.00 0.00 H new ATOM 0 HA LEU A 39 0.970 3.727 -1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.412 5.564 -0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.787 6.192 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 39 2.314 4.095 1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.835 5.907 2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.059 5.825 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.811 7.093 1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.462 5.311 2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.436 6.494 0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.008 4.798 0.500 1.00 0.00 H new ATOM 217 N ARG A 40 3.078 4.471 -3.632 1.00 0.00 N ATOM 218 CA ARG A 40 3.125 4.709 -5.107 1.00 0.00 C ATOM 219 C ARG A 40 2.716 3.430 -5.850 1.00 0.00 C ATOM 220 O ARG A 40 2.026 3.480 -6.850 1.00 0.00 O ATOM 221 CB ARG A 40 4.581 5.074 -5.413 1.00 0.00 C ATOM 222 CG ARG A 40 4.625 6.102 -6.546 1.00 0.00 C ATOM 223 CD ARG A 40 5.838 7.017 -6.360 1.00 0.00 C ATOM 224 NE ARG A 40 5.699 8.060 -7.416 1.00 0.00 N ATOM 225 CZ ARG A 40 5.315 9.266 -7.096 1.00 0.00 C ATOM 226 NH1 ARG A 40 6.171 10.107 -6.577 1.00 0.00 N ATOM 227 NH2 ARG A 40 4.073 9.630 -7.291 1.00 0.00 N ATOM 0 H ARG A 40 3.988 4.421 -3.174 1.00 0.00 H new ATOM 0 HA ARG A 40 2.443 5.498 -5.424 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.060 5.479 -4.522 1.00 0.00 H new ATOM 0 HB3 ARG A 40 5.139 4.181 -5.696 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.683 5.595 -7.509 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.709 6.692 -6.551 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.848 7.462 -5.365 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.771 6.464 -6.472 1.00 0.00 H new ATOM 0 HE ARG A 40 5.904 7.831 -8.389 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.138 9.821 -6.423 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.872 11.050 -6.327 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.406 8.972 -7.693 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.772 10.572 -7.041 1.00 0.00 H new ATOM 241 N ALA A 41 3.129 2.285 -5.356 1.00 0.00 N ATOM 242 CA ALA A 41 2.755 0.997 -6.017 1.00 0.00 C ATOM 243 C ALA A 41 1.243 0.778 -5.900 1.00 0.00 C ATOM 244 O ALA A 41 0.591 0.389 -6.850 1.00 0.00 O ATOM 245 CB ALA A 41 3.519 -0.088 -5.252 1.00 0.00 C ATOM 0 H ALA A 41 3.709 2.189 -4.523 1.00 0.00 H new ATOM 0 HA ALA A 41 3.003 0.986 -7.078 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.293 -1.064 -5.682 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.590 0.102 -5.324 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.218 -0.075 -4.204 1.00 0.00 H new ATOM 251 N VAL A 42 0.680 1.044 -4.745 1.00 0.00 N ATOM 252 CA VAL A 42 -0.792 0.871 -4.568 1.00 0.00 C ATOM 253 C VAL A 42 -1.539 1.890 -5.439 1.00 0.00 C ATOM 254 O VAL A 42 -2.530 1.568 -6.069 1.00 0.00 O ATOM 255 CB VAL A 42 -1.054 1.127 -3.076 1.00 0.00 C ATOM 256 CG1 VAL A 42 -2.537 1.439 -2.847 1.00 0.00 C ATOM 257 CG2 VAL A 42 -0.675 -0.117 -2.269 1.00 0.00 C ATOM 0 H VAL A 42 1.179 1.373 -3.919 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.136 -0.119 -4.866 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.452 1.977 -2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.711 1.619 -1.786 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.814 2.327 -3.416 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.142 0.594 -3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.861 0.065 -1.211 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.275 -0.964 -2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.381 -0.340 -2.419 1.00 0.00 H new ATOM 267 N ASP A 43 -1.069 3.114 -5.485 1.00 0.00 N ATOM 268 CA ASP A 43 -1.752 4.144 -6.322 1.00 0.00 C ATOM 269 C ASP A 43 -1.613 3.795 -7.806 1.00 0.00 C ATOM 270 O ASP A 43 -2.547 3.949 -8.571 1.00 0.00 O ATOM 271 CB ASP A 43 -1.060 5.474 -6.005 1.00 0.00 C ATOM 272 CG ASP A 43 -2.025 6.378 -5.233 1.00 0.00 C ATOM 273 OD1 ASP A 43 -3.044 6.742 -5.799 1.00 0.00 O ATOM 274 OD2 ASP A 43 -1.730 6.690 -4.091 1.00 0.00 O ATOM 0 H ASP A 43 -0.245 3.441 -4.980 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.819 4.197 -6.107 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.160 5.297 -5.416 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.746 5.962 -6.928 1.00 0.00 H new ATOM 279 N ARG A 44 -0.470 3.305 -8.218 1.00 0.00 N ATOM 280 CA ARG A 44 -0.307 2.929 -9.651 1.00 0.00 C ATOM 281 C ARG A 44 -1.183 1.708 -9.949 1.00 0.00 C ATOM 282 O ARG A 44 -1.794 1.616 -10.996 1.00 0.00 O ATOM 283 CB ARG A 44 1.177 2.593 -9.832 1.00 0.00 C ATOM 284 CG ARG A 44 1.611 2.943 -11.260 1.00 0.00 C ATOM 285 CD ARG A 44 0.759 2.159 -12.264 1.00 0.00 C ATOM 286 NE ARG A 44 1.512 2.207 -13.548 1.00 0.00 N ATOM 287 CZ ARG A 44 1.457 3.271 -14.307 1.00 0.00 C ATOM 288 NH1 ARG A 44 0.300 3.796 -14.622 1.00 0.00 N ATOM 289 NH2 ARG A 44 2.562 3.808 -14.754 1.00 0.00 N ATOM 0 H ARG A 44 0.348 3.151 -7.629 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.607 3.728 -10.329 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.777 3.149 -9.112 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.347 1.534 -9.638 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.501 4.014 -11.432 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.666 2.705 -11.399 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.611 1.131 -11.934 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.230 2.605 -12.372 1.00 0.00 H new ATOM 0 HE ARG A 44 2.074 1.406 -13.837 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.562 3.375 -14.275 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.261 4.626 -15.214 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.463 3.397 -14.511 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.523 4.638 -15.346 1.00 0.00 H new ATOM 303 N LEU A 45 -1.259 0.782 -9.024 1.00 0.00 N ATOM 304 CA LEU A 45 -2.106 -0.432 -9.229 1.00 0.00 C ATOM 305 C LEU A 45 -3.558 -0.028 -9.509 1.00 0.00 C ATOM 306 O LEU A 45 -4.209 -0.592 -10.365 1.00 0.00 O ATOM 307 CB LEU A 45 -2.008 -1.215 -7.913 1.00 0.00 C ATOM 308 CG LEU A 45 -2.980 -2.400 -7.936 1.00 0.00 C ATOM 309 CD1 LEU A 45 -2.191 -3.709 -7.968 1.00 0.00 C ATOM 310 CD2 LEU A 45 -3.859 -2.366 -6.681 1.00 0.00 C ATOM 0 H LEU A 45 -0.767 0.816 -8.131 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.774 -1.025 -10.081 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.989 -1.573 -7.768 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.239 -0.561 -7.072 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.609 -2.333 -8.823 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.883 -4.551 -7.984 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.566 -3.736 -8.861 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.560 -3.775 -7.082 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.550 -3.209 -6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.229 -2.431 -5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.424 -1.434 -6.658 1.00 0.00 H new ATOM 322 N ASN A 46 -4.069 0.938 -8.787 1.00 0.00 N ATOM 323 CA ASN A 46 -5.485 1.367 -9.009 1.00 0.00 C ATOM 324 C ASN A 46 -5.624 2.197 -10.297 1.00 0.00 C ATOM 325 O ASN A 46 -6.685 2.249 -10.888 1.00 0.00 O ATOM 326 CB ASN A 46 -5.878 2.170 -7.750 1.00 0.00 C ATOM 327 CG ASN A 46 -5.375 3.621 -7.800 1.00 0.00 C ATOM 328 OD1 ASN A 46 -5.606 4.336 -8.753 1.00 0.00 O ATOM 329 ND2 ASN A 46 -4.724 4.099 -6.781 1.00 0.00 N ATOM 0 H ASN A 46 -3.570 1.446 -8.057 1.00 0.00 H new ATOM 0 HA ASN A 46 -6.149 0.514 -9.149 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.963 2.168 -7.645 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.471 1.678 -6.867 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.411 5.070 -6.786 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -4.527 3.503 -5.977 1.00 0.00 H new ATOM 336 N GLU A 47 -4.571 2.847 -10.735 1.00 0.00 N ATOM 337 CA GLU A 47 -4.663 3.670 -11.983 1.00 0.00 C ATOM 338 C GLU A 47 -4.334 2.832 -13.227 1.00 0.00 C ATOM 339 O GLU A 47 -4.845 3.085 -14.301 1.00 0.00 O ATOM 340 CB GLU A 47 -3.638 4.796 -11.812 1.00 0.00 C ATOM 341 CG GLU A 47 -3.989 5.949 -12.765 1.00 0.00 C ATOM 342 CD GLU A 47 -2.796 6.269 -13.674 1.00 0.00 C ATOM 343 OE1 GLU A 47 -2.248 5.347 -14.259 1.00 0.00 O ATOM 344 OE2 GLU A 47 -2.456 7.436 -13.777 1.00 0.00 O ATOM 0 H GLU A 47 -3.656 2.843 -10.284 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.672 4.055 -12.127 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.636 5.149 -10.781 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.635 4.426 -12.024 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.854 5.679 -13.370 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.265 6.833 -12.191 1.00 0.00 H new ATOM 351 N GLN A 48 -3.483 1.844 -13.098 1.00 0.00 N ATOM 352 CA GLN A 48 -3.125 1.005 -14.287 1.00 0.00 C ATOM 353 C GLN A 48 -4.136 -0.136 -14.495 1.00 0.00 C ATOM 354 O GLN A 48 -4.029 -0.892 -15.441 1.00 0.00 O ATOM 355 CB GLN A 48 -1.726 0.451 -13.987 1.00 0.00 C ATOM 356 CG GLN A 48 -1.814 -0.706 -12.984 1.00 0.00 C ATOM 357 CD GLN A 48 -0.405 -1.181 -12.613 1.00 0.00 C ATOM 358 OE1 GLN A 48 0.575 -0.725 -13.169 1.00 0.00 O ATOM 359 NE2 GLN A 48 -0.262 -2.093 -11.691 1.00 0.00 N ATOM 0 H GLN A 48 -3.022 1.582 -12.227 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.142 1.590 -15.207 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.259 0.106 -14.909 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.093 1.242 -13.585 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.346 -0.384 -12.089 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.384 -1.530 -13.414 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.082 -2.478 -11.223 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.670 -2.421 -11.439 1.00 0.00 H new ATOM 368 N SER A 49 -5.115 -0.270 -13.631 1.00 0.00 N ATOM 369 CA SER A 49 -6.119 -1.360 -13.795 1.00 0.00 C ATOM 370 C SER A 49 -7.453 -0.784 -14.285 1.00 0.00 C ATOM 371 O SER A 49 -7.646 0.418 -14.326 1.00 0.00 O ATOM 372 CB SER A 49 -6.277 -1.968 -12.401 1.00 0.00 C ATOM 373 OG SER A 49 -6.004 -3.363 -12.460 1.00 0.00 O ATOM 0 H SER A 49 -5.259 0.331 -12.820 1.00 0.00 H new ATOM 0 HA SER A 49 -5.805 -2.102 -14.530 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.597 -1.482 -11.701 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.288 -1.800 -12.031 1.00 0.00 H new ATOM 0 HG SER A 49 -6.103 -3.754 -11.567 1.00 0.00 H new ATOM 379 N SER A 50 -8.375 -1.638 -14.645 1.00 0.00 N ATOM 380 CA SER A 50 -9.708 -1.163 -15.124 1.00 0.00 C ATOM 381 C SER A 50 -10.809 -1.654 -14.173 1.00 0.00 C ATOM 382 O SER A 50 -11.869 -2.078 -14.595 1.00 0.00 O ATOM 383 CB SER A 50 -9.876 -1.777 -16.516 1.00 0.00 C ATOM 384 OG SER A 50 -9.147 -1.003 -17.464 1.00 0.00 O ATOM 0 H SER A 50 -8.261 -2.651 -14.628 1.00 0.00 H new ATOM 0 HA SER A 50 -9.777 -0.076 -15.156 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.518 -2.806 -16.517 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.931 -1.806 -16.788 1.00 0.00 H new ATOM 0 HG SER A 50 -9.252 -1.395 -18.356 1.00 0.00 H new ATOM 390 N GLU A 51 -10.559 -1.598 -12.887 1.00 0.00 N ATOM 391 CA GLU A 51 -11.579 -2.062 -11.899 1.00 0.00 C ATOM 392 C GLU A 51 -12.736 -1.058 -11.793 1.00 0.00 C ATOM 393 O GLU A 51 -12.671 0.044 -12.309 1.00 0.00 O ATOM 394 CB GLU A 51 -10.837 -2.149 -10.563 1.00 0.00 C ATOM 395 CG GLU A 51 -9.981 -3.419 -10.521 1.00 0.00 C ATOM 396 CD GLU A 51 -9.344 -3.558 -9.136 1.00 0.00 C ATOM 397 OE1 GLU A 51 -8.285 -2.986 -8.930 1.00 0.00 O ATOM 398 OE2 GLU A 51 -9.924 -4.235 -8.303 1.00 0.00 O ATOM 0 H GLU A 51 -9.691 -1.250 -12.480 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.015 -3.017 -12.194 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.206 -1.270 -10.430 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.552 -2.155 -9.740 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.596 -4.292 -10.740 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.207 -3.374 -11.287 1.00 0.00 H new ATOM 405 N ALA A 52 -13.791 -1.435 -11.116 1.00 0.00 N ATOM 406 CA ALA A 52 -14.957 -0.519 -10.957 1.00 0.00 C ATOM 407 C ALA A 52 -14.768 0.366 -9.719 1.00 0.00 C ATOM 408 O ALA A 52 -15.053 1.548 -9.745 1.00 0.00 O ATOM 409 CB ALA A 52 -16.169 -1.437 -10.781 1.00 0.00 C ATOM 0 H ALA A 52 -13.894 -2.344 -10.665 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.076 0.148 -11.811 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -17.068 -0.833 -10.658 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.276 -2.071 -11.661 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.028 -2.061 -9.899 1.00 0.00 H new ATOM 415 N ASN A 53 -14.289 -0.198 -8.635 1.00 0.00 N ATOM 416 CA ASN A 53 -14.080 0.608 -7.397 1.00 0.00 C ATOM 417 C ASN A 53 -12.586 0.720 -7.072 1.00 0.00 C ATOM 418 O ASN A 53 -11.786 -0.097 -7.488 1.00 0.00 O ATOM 419 CB ASN A 53 -14.823 -0.147 -6.292 1.00 0.00 C ATOM 420 CG ASN A 53 -16.055 0.659 -5.876 1.00 0.00 C ATOM 421 OD1 ASN A 53 -17.164 0.327 -6.245 1.00 0.00 O ATOM 422 ND2 ASN A 53 -15.908 1.715 -5.123 1.00 0.00 N ATOM 0 H ASN A 53 -14.035 -1.183 -8.558 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.450 1.627 -7.507 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.121 -1.134 -6.646 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.167 -0.301 -5.435 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.724 2.261 -4.845 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.977 1.995 -4.813 1.00 0.00 H new ATOM 429 N LEU A 54 -12.209 1.736 -6.334 1.00 0.00 N ATOM 430 CA LEU A 54 -10.767 1.921 -5.978 1.00 0.00 C ATOM 431 C LEU A 54 -10.375 1.006 -4.814 1.00 0.00 C ATOM 432 O LEU A 54 -11.219 0.479 -4.114 1.00 0.00 O ATOM 433 CB LEU A 54 -10.641 3.391 -5.568 1.00 0.00 C ATOM 434 CG LEU A 54 -10.277 4.233 -6.793 1.00 0.00 C ATOM 435 CD1 LEU A 54 -10.607 5.700 -6.521 1.00 0.00 C ATOM 436 CD2 LEU A 54 -8.781 4.094 -7.082 1.00 0.00 C ATOM 0 H LEU A 54 -12.839 2.447 -5.962 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.109 1.669 -6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -11.579 3.741 -5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.877 3.501 -4.798 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.848 3.885 -7.654 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -10.348 6.299 -7.394 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.673 5.801 -6.315 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.037 6.048 -5.660 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.522 4.694 -7.955 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.210 4.441 -6.221 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.544 3.048 -7.277 1.00 0.00 H new ATOM 448 N TYR A 55 -9.094 0.813 -4.604 1.00 0.00 N ATOM 449 CA TYR A 55 -8.641 -0.073 -3.489 1.00 0.00 C ATOM 450 C TYR A 55 -7.436 0.535 -2.768 1.00 0.00 C ATOM 451 O TYR A 55 -6.296 0.306 -3.134 1.00 0.00 O ATOM 452 CB TYR A 55 -8.258 -1.395 -4.159 1.00 0.00 C ATOM 453 CG TYR A 55 -9.496 -2.232 -4.348 1.00 0.00 C ATOM 454 CD1 TYR A 55 -10.257 -2.104 -5.514 1.00 0.00 C ATOM 455 CD2 TYR A 55 -9.889 -3.130 -3.350 1.00 0.00 C ATOM 456 CE1 TYR A 55 -11.413 -2.874 -5.681 1.00 0.00 C ATOM 457 CE2 TYR A 55 -11.043 -3.899 -3.517 1.00 0.00 C ATOM 458 CZ TYR A 55 -11.806 -3.772 -4.683 1.00 0.00 C ATOM 459 OH TYR A 55 -12.949 -4.527 -4.848 1.00 0.00 O ATOM 0 H TYR A 55 -8.345 1.231 -5.157 1.00 0.00 H new ATOM 0 HA TYR A 55 -9.417 -0.207 -2.736 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.783 -1.204 -5.121 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -7.533 -1.930 -3.546 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.953 -1.411 -6.285 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.300 -3.229 -2.450 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -12.002 -2.775 -6.581 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -11.346 -4.592 -2.746 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.860 -5.085 -5.648 1.00 0.00 H new ATOM 469 N ARG A 56 -7.682 1.299 -1.736 1.00 0.00 N ATOM 470 CA ARG A 56 -6.556 1.913 -0.972 1.00 0.00 C ATOM 471 C ARG A 56 -5.898 0.843 -0.095 1.00 0.00 C ATOM 472 O ARG A 56 -6.547 -0.085 0.355 1.00 0.00 O ATOM 473 CB ARG A 56 -7.200 3.004 -0.107 1.00 0.00 C ATOM 474 CG ARG A 56 -6.111 3.863 0.545 1.00 0.00 C ATOM 475 CD ARG A 56 -6.526 4.215 1.977 1.00 0.00 C ATOM 476 NE ARG A 56 -7.342 5.460 1.856 1.00 0.00 N ATOM 477 CZ ARG A 56 -7.640 6.152 2.925 1.00 0.00 C ATOM 478 NH1 ARG A 56 -6.729 6.896 3.495 1.00 0.00 N ATOM 479 NH2 ARG A 56 -8.849 6.101 3.419 1.00 0.00 N ATOM 0 H ARG A 56 -8.614 1.524 -1.389 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.783 2.327 -1.620 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.850 3.629 -0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.825 2.549 0.661 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.164 3.324 0.552 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.956 4.773 -0.034 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.104 3.408 2.429 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.654 4.376 2.611 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.667 5.770 0.940 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.787 6.936 3.106 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.960 7.436 4.329 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.559 5.522 2.971 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.082 6.640 4.253 1.00 0.00 H new ATOM 493 N LEU A 57 -4.616 0.960 0.149 1.00 0.00 N ATOM 494 CA LEU A 57 -3.918 -0.054 0.996 1.00 0.00 C ATOM 495 C LEU A 57 -4.535 -0.096 2.397 1.00 0.00 C ATOM 496 O LEU A 57 -4.625 0.907 3.081 1.00 0.00 O ATOM 497 CB LEU A 57 -2.460 0.410 1.066 1.00 0.00 C ATOM 498 CG LEU A 57 -1.613 -0.665 1.754 1.00 0.00 C ATOM 499 CD1 LEU A 57 -0.254 -0.766 1.064 1.00 0.00 C ATOM 500 CD2 LEU A 57 -1.408 -0.293 3.226 1.00 0.00 C ATOM 0 H LEU A 57 -4.024 1.713 -0.202 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.004 -1.058 0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.080 0.600 0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.392 1.349 1.616 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.127 -1.624 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.347 -1.531 1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.397 -1.033 0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.258 0.194 1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.805 -1.059 3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.897 0.667 3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.376 -0.223 3.722 1.00 0.00 H new ATOM 512 N LEU A 58 -4.949 -1.258 2.823 1.00 0.00 N ATOM 513 CA LEU A 58 -5.551 -1.401 4.178 1.00 0.00 C ATOM 514 C LEU A 58 -4.475 -1.869 5.164 1.00 0.00 C ATOM 515 O LEU A 58 -4.376 -1.373 6.270 1.00 0.00 O ATOM 516 CB LEU A 58 -6.643 -2.462 4.015 1.00 0.00 C ATOM 517 CG LEU A 58 -7.440 -2.581 5.314 1.00 0.00 C ATOM 518 CD1 LEU A 58 -8.349 -1.358 5.471 1.00 0.00 C ATOM 519 CD2 LEU A 58 -8.294 -3.850 5.276 1.00 0.00 C ATOM 0 H LEU A 58 -4.895 -2.122 2.284 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.958 -0.466 4.564 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.306 -2.193 3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.196 -3.423 3.762 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.752 -2.632 6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.917 -1.443 6.397 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.741 -0.454 5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.037 -1.305 4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.862 -3.934 6.203 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.982 -3.801 4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.647 -4.721 5.166 1.00 0.00 H new ATOM 531 N GLU A 59 -3.666 -2.816 4.758 1.00 0.00 N ATOM 532 CA GLU A 59 -2.581 -3.324 5.647 1.00 0.00 C ATOM 533 C GLU A 59 -1.299 -3.541 4.832 1.00 0.00 C ATOM 534 O GLU A 59 -1.344 -3.969 3.692 1.00 0.00 O ATOM 535 CB GLU A 59 -3.106 -4.650 6.205 1.00 0.00 C ATOM 536 CG GLU A 59 -2.957 -4.665 7.730 1.00 0.00 C ATOM 537 CD GLU A 59 -1.572 -5.199 8.103 1.00 0.00 C ATOM 538 OE1 GLU A 59 -1.425 -6.408 8.182 1.00 0.00 O ATOM 539 OE2 GLU A 59 -0.680 -4.391 8.299 1.00 0.00 O ATOM 0 H GLU A 59 -3.713 -3.261 3.841 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.335 -2.625 6.446 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.153 -4.782 5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.555 -5.483 5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.090 -3.659 8.129 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.731 -5.290 8.175 1.00 0.00 H new ATOM 546 N LEU A 60 -0.158 -3.247 5.404 1.00 0.00 N ATOM 547 CA LEU A 60 1.131 -3.428 4.667 1.00 0.00 C ATOM 548 C LEU A 60 1.917 -4.604 5.253 1.00 0.00 C ATOM 549 O LEU A 60 1.918 -4.838 6.448 1.00 0.00 O ATOM 550 CB LEU A 60 1.895 -2.113 4.863 1.00 0.00 C ATOM 551 CG LEU A 60 3.279 -2.204 4.205 1.00 0.00 C ATOM 552 CD1 LEU A 60 3.126 -2.368 2.691 1.00 0.00 C ATOM 553 CD2 LEU A 60 4.064 -0.922 4.497 1.00 0.00 C ATOM 0 H LEU A 60 -0.063 -2.888 6.354 1.00 0.00 H new ATOM 0 HA LEU A 60 0.973 -3.649 3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.331 -1.287 4.429 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.003 -1.901 5.927 1.00 0.00 H new ATOM 0 HG LEU A 60 3.812 -3.065 4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.112 -2.432 2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.566 -3.279 2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.591 -1.510 2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.047 -0.983 4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.524 -0.065 4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.180 -0.804 5.574 1.00 0.00 H new ATOM 565 N ASP A 61 2.580 -5.341 4.404 1.00 0.00 N ATOM 566 CA ASP A 61 3.376 -6.519 4.862 1.00 0.00 C ATOM 567 C ASP A 61 4.864 -6.164 4.968 1.00 0.00 C ATOM 568 O ASP A 61 5.311 -5.157 4.447 1.00 0.00 O ATOM 569 CB ASP A 61 3.155 -7.569 3.767 1.00 0.00 C ATOM 570 CG ASP A 61 3.813 -8.895 4.160 1.00 0.00 C ATOM 571 OD1 ASP A 61 3.545 -9.373 5.250 1.00 0.00 O ATOM 572 OD2 ASP A 61 4.576 -9.410 3.360 1.00 0.00 O ATOM 0 H ASP A 61 2.605 -5.175 3.398 1.00 0.00 H new ATOM 0 HA ASP A 61 3.072 -6.867 5.849 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.087 -7.719 3.608 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.571 -7.214 2.824 1.00 0.00 H new ATOM 577 N GLN A 62 5.632 -6.997 5.625 1.00 0.00 N ATOM 578 CA GLN A 62 7.095 -6.738 5.757 1.00 0.00 C ATOM 579 C GLN A 62 7.872 -7.800 4.959 1.00 0.00 C ATOM 580 O GLN A 62 8.294 -8.804 5.502 1.00 0.00 O ATOM 581 CB GLN A 62 7.386 -6.848 7.256 1.00 0.00 C ATOM 582 CG GLN A 62 8.532 -5.903 7.625 1.00 0.00 C ATOM 583 CD GLN A 62 9.112 -6.311 8.980 1.00 0.00 C ATOM 584 OE1 GLN A 62 10.153 -6.933 9.044 1.00 0.00 O ATOM 585 NE2 GLN A 62 8.479 -5.984 10.074 1.00 0.00 N ATOM 0 H GLN A 62 5.304 -7.850 6.078 1.00 0.00 H new ATOM 0 HA GLN A 62 7.393 -5.764 5.369 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.494 -6.596 7.830 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.650 -7.874 7.512 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.307 -5.938 6.860 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.171 -4.875 7.666 1.00 0.00 H new ATOM 0 HE21 GLN A 62 7.605 -5.462 10.021 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.859 -6.251 10.982 1.00 0.00 H new ATOM 594 N PRO A 63 8.017 -7.540 3.682 1.00 0.00 N ATOM 595 CA PRO A 63 8.729 -8.483 2.779 1.00 0.00 C ATOM 596 C PRO A 63 10.250 -8.417 2.994 1.00 0.00 C ATOM 597 O PRO A 63 10.744 -7.533 3.669 1.00 0.00 O ATOM 598 CB PRO A 63 8.360 -7.981 1.386 1.00 0.00 C ATOM 599 CG PRO A 63 8.034 -6.533 1.566 1.00 0.00 C ATOM 600 CD PRO A 63 7.535 -6.355 2.969 1.00 0.00 C ATOM 0 HA PRO A 63 8.451 -9.523 2.950 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.186 -8.115 0.687 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.509 -8.529 0.982 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.916 -5.917 1.392 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.278 -6.218 0.847 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.922 -5.439 3.415 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.447 -6.289 2.998 1.00 0.00 H new ATOM 608 N PRO A 64 10.941 -9.364 2.403 1.00 0.00 N ATOM 609 CA PRO A 64 12.424 -9.425 2.520 1.00 0.00 C ATOM 610 C PRO A 64 13.081 -8.303 1.704 1.00 0.00 C ATOM 611 O PRO A 64 12.513 -7.813 0.746 1.00 0.00 O ATOM 612 CB PRO A 64 12.771 -10.793 1.937 1.00 0.00 C ATOM 613 CG PRO A 64 11.640 -11.124 1.018 1.00 0.00 C ATOM 614 CD PRO A 64 10.411 -10.459 1.576 1.00 0.00 C ATOM 0 HA PRO A 64 12.776 -9.297 3.544 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.719 -10.764 1.400 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.873 -11.542 2.723 1.00 0.00 H new ATOM 0 HG2 PRO A 64 11.846 -10.768 0.009 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.499 -12.203 0.953 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.766 -10.083 0.782 1.00 0.00 H new ATOM 0 HD3 PRO A 64 9.816 -11.154 2.168 1.00 0.00 H new ATOM 622 N LYS A 65 14.277 -7.900 2.077 1.00 0.00 N ATOM 623 CA LYS A 65 14.995 -6.811 1.332 1.00 0.00 C ATOM 624 C LYS A 65 14.096 -5.575 1.179 1.00 0.00 C ATOM 625 O LYS A 65 13.664 -5.234 0.092 1.00 0.00 O ATOM 626 CB LYS A 65 15.334 -7.413 -0.038 1.00 0.00 C ATOM 627 CG LYS A 65 16.444 -8.457 0.115 1.00 0.00 C ATOM 628 CD LYS A 65 15.873 -9.854 -0.139 1.00 0.00 C ATOM 629 CE LYS A 65 17.021 -10.846 -0.355 1.00 0.00 C ATOM 630 NZ LYS A 65 16.362 -12.175 -0.509 1.00 0.00 N ATOM 0 H LYS A 65 14.790 -8.282 2.872 1.00 0.00 H new ATOM 0 HA LYS A 65 15.889 -6.479 1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.447 -7.873 -0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 65 15.653 -6.627 -0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 65 17.251 -8.250 -0.587 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.871 -8.404 1.116 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.262 -10.168 0.707 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.222 -9.839 -1.013 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.602 -10.589 -1.240 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.709 -10.843 0.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.086 -12.906 -0.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.822 -12.396 0.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.718 -12.151 -1.325 1.00 0.00 H new ATOM 644 N ALA A 66 13.810 -4.905 2.263 1.00 0.00 N ATOM 645 CA ALA A 66 12.934 -3.695 2.190 1.00 0.00 C ATOM 646 C ALA A 66 13.709 -2.428 2.567 1.00 0.00 C ATOM 647 O ALA A 66 13.545 -1.391 1.950 1.00 0.00 O ATOM 648 CB ALA A 66 11.808 -3.959 3.192 1.00 0.00 C ATOM 0 H ALA A 66 14.144 -5.142 3.197 1.00 0.00 H new ATOM 0 HA ALA A 66 12.556 -3.531 1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.120 -3.113 3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.270 -4.862 2.905 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.231 -4.089 4.188 1.00 0.00 H new ATOM 654 N ASP A 67 14.543 -2.494 3.574 1.00 0.00 N ATOM 655 CA ASP A 67 15.317 -1.285 3.988 1.00 0.00 C ATOM 656 C ASP A 67 16.831 -1.550 3.954 1.00 0.00 C ATOM 657 O ASP A 67 17.597 -0.906 4.645 1.00 0.00 O ATOM 658 CB ASP A 67 14.841 -0.991 5.416 1.00 0.00 C ATOM 659 CG ASP A 67 15.442 -1.999 6.407 1.00 0.00 C ATOM 660 OD1 ASP A 67 15.244 -3.189 6.215 1.00 0.00 O ATOM 661 OD2 ASP A 67 16.088 -1.562 7.345 1.00 0.00 O ATOM 0 H ASP A 67 14.721 -3.332 4.127 1.00 0.00 H new ATOM 0 HA ASP A 67 15.150 -0.444 3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.129 0.021 5.700 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.753 -1.036 5.458 1.00 0.00 H new ATOM 666 N GLU A 68 17.266 -2.488 3.153 1.00 0.00 N ATOM 667 CA GLU A 68 18.729 -2.793 3.074 1.00 0.00 C ATOM 668 C GLU A 68 19.139 -3.191 1.647 1.00 0.00 C ATOM 669 O GLU A 68 20.100 -3.910 1.448 1.00 0.00 O ATOM 670 CB GLU A 68 18.937 -3.963 4.040 1.00 0.00 C ATOM 671 CG GLU A 68 19.817 -3.509 5.208 1.00 0.00 C ATOM 672 CD GLU A 68 21.273 -3.410 4.746 1.00 0.00 C ATOM 673 OE1 GLU A 68 21.913 -4.443 4.642 1.00 0.00 O ATOM 674 OE2 GLU A 68 21.725 -2.302 4.503 1.00 0.00 O ATOM 0 H GLU A 68 16.672 -3.057 2.549 1.00 0.00 H new ATOM 0 HA GLU A 68 19.337 -1.926 3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.975 -4.318 4.411 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.406 -4.799 3.521 1.00 0.00 H new ATOM 0 HG2 GLU A 68 19.476 -2.542 5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 68 19.734 -4.215 6.035 1.00 0.00 H new ATOM 681 N ASP A 69 18.423 -2.722 0.655 1.00 0.00 N ATOM 682 CA ASP A 69 18.766 -3.065 -0.759 1.00 0.00 C ATOM 683 C ASP A 69 18.369 -1.905 -1.687 1.00 0.00 C ATOM 684 O ASP A 69 17.257 -1.859 -2.178 1.00 0.00 O ATOM 685 CB ASP A 69 17.946 -4.320 -1.075 1.00 0.00 C ATOM 686 CG ASP A 69 18.630 -5.556 -0.482 1.00 0.00 C ATOM 687 OD1 ASP A 69 19.573 -6.040 -1.091 1.00 0.00 O ATOM 688 OD2 ASP A 69 18.196 -5.998 0.569 1.00 0.00 O ATOM 0 H ASP A 69 17.612 -2.113 0.765 1.00 0.00 H new ATOM 0 HA ASP A 69 19.833 -3.237 -0.901 1.00 0.00 H new ATOM 0 HB2 ASP A 69 16.940 -4.220 -0.667 1.00 0.00 H new ATOM 0 HB3 ASP A 69 17.842 -4.434 -2.154 1.00 0.00 H new ATOM 693 N PRO A 70 19.288 -0.991 -1.879 1.00 0.00 N ATOM 694 CA PRO A 70 19.021 0.195 -2.738 1.00 0.00 C ATOM 695 C PRO A 70 18.945 -0.180 -4.230 1.00 0.00 C ATOM 696 O PRO A 70 17.875 -0.199 -4.806 1.00 0.00 O ATOM 697 CB PRO A 70 20.203 1.120 -2.448 1.00 0.00 C ATOM 698 CG PRO A 70 21.301 0.220 -1.970 1.00 0.00 C ATOM 699 CD PRO A 70 20.647 -0.974 -1.323 1.00 0.00 C ATOM 0 HA PRO A 70 18.058 0.659 -2.523 1.00 0.00 H new ATOM 0 HB2 PRO A 70 20.503 1.666 -3.342 1.00 0.00 H new ATOM 0 HB3 PRO A 70 19.946 1.862 -1.692 1.00 0.00 H new ATOM 0 HG2 PRO A 70 21.933 -0.091 -2.802 1.00 0.00 H new ATOM 0 HG3 PRO A 70 21.943 0.740 -1.259 1.00 0.00 H new ATOM 0 HD2 PRO A 70 21.183 -1.895 -1.554 1.00 0.00 H new ATOM 0 HD3 PRO A 70 20.631 -0.879 -0.237 1.00 0.00 H new ATOM 707 N GLY A 71 20.065 -0.458 -4.860 1.00 0.00 N ATOM 708 CA GLY A 71 20.061 -0.807 -6.318 1.00 0.00 C ATOM 709 C GLY A 71 19.158 -2.019 -6.597 1.00 0.00 C ATOM 710 O GLY A 71 18.600 -2.143 -7.671 1.00 0.00 O ATOM 0 H GLY A 71 20.987 -0.458 -4.423 1.00 0.00 H new ATOM 0 HA2 GLY A 71 19.715 0.048 -6.898 1.00 0.00 H new ATOM 0 HA3 GLY A 71 21.078 -1.025 -6.645 1.00 0.00 H new ATOM 714 N THR A 72 19.018 -2.914 -5.652 1.00 0.00 N ATOM 715 CA THR A 72 18.155 -4.117 -5.877 1.00 0.00 C ATOM 716 C THR A 72 16.669 -3.726 -5.832 1.00 0.00 C ATOM 717 O THR A 72 16.303 -2.746 -5.209 1.00 0.00 O ATOM 718 CB THR A 72 18.486 -5.100 -4.738 1.00 0.00 C ATOM 719 OG1 THR A 72 19.462 -4.537 -3.862 1.00 0.00 O ATOM 720 CG2 THR A 72 19.020 -6.409 -5.326 1.00 0.00 C ATOM 0 H THR A 72 19.463 -2.865 -4.735 1.00 0.00 H new ATOM 0 HA THR A 72 18.342 -4.563 -6.854 1.00 0.00 H new ATOM 0 HB THR A 72 17.576 -5.298 -4.171 1.00 0.00 H new ATOM 0 HG1 THR A 72 20.334 -4.524 -4.309 1.00 0.00 H new ATOM 0 HG21 THR A 72 19.253 -7.102 -4.518 1.00 0.00 H new ATOM 0 HG22 THR A 72 18.265 -6.851 -5.976 1.00 0.00 H new ATOM 0 HG23 THR A 72 19.923 -6.207 -5.903 1.00 0.00 H new ATOM 728 N PRO A 73 15.856 -4.514 -6.501 1.00 0.00 N ATOM 729 CA PRO A 73 14.391 -4.251 -6.540 1.00 0.00 C ATOM 730 C PRO A 73 13.757 -4.523 -5.169 1.00 0.00 C ATOM 731 O PRO A 73 14.185 -5.399 -4.439 1.00 0.00 O ATOM 732 CB PRO A 73 13.876 -5.233 -7.590 1.00 0.00 C ATOM 733 CG PRO A 73 14.887 -6.334 -7.612 1.00 0.00 C ATOM 734 CD PRO A 73 16.214 -5.712 -7.273 1.00 0.00 C ATOM 0 HA PRO A 73 14.148 -3.216 -6.781 1.00 0.00 H new ATOM 0 HB2 PRO A 73 12.887 -5.609 -7.328 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.788 -4.757 -8.567 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.629 -7.110 -6.892 1.00 0.00 H new ATOM 0 HG3 PRO A 73 14.921 -6.808 -8.593 1.00 0.00 H new ATOM 0 HD2 PRO A 73 16.836 -6.391 -6.691 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.776 -5.455 -8.171 1.00 0.00 H new ATOM 742 N LYS A 74 12.748 -3.773 -4.813 1.00 0.00 N ATOM 743 CA LYS A 74 12.090 -3.971 -3.490 1.00 0.00 C ATOM 744 C LYS A 74 10.790 -4.769 -3.642 1.00 0.00 C ATOM 745 O LYS A 74 9.822 -4.266 -4.177 1.00 0.00 O ATOM 746 CB LYS A 74 11.782 -2.559 -2.990 1.00 0.00 C ATOM 747 CG LYS A 74 11.948 -2.507 -1.470 1.00 0.00 C ATOM 748 CD LYS A 74 12.925 -1.390 -1.108 1.00 0.00 C ATOM 749 CE LYS A 74 14.358 -1.852 -1.390 1.00 0.00 C ATOM 750 NZ LYS A 74 15.209 -1.086 -0.439 1.00 0.00 N ATOM 0 H LYS A 74 12.350 -3.028 -5.385 1.00 0.00 H new ATOM 0 HA LYS A 74 12.724 -4.530 -2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.450 -1.840 -3.464 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.765 -2.278 -3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.984 -2.331 -0.993 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.317 -3.463 -1.100 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.700 -0.494 -1.687 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.817 -1.125 -0.056 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.463 -2.926 -1.235 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.641 -1.649 -2.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.799 -0.411 -0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.603 -0.568 0.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.821 -1.743 0.086 1.00 0.00 H new ATOM 764 N PRO A 75 10.805 -5.983 -3.146 1.00 0.00 N ATOM 765 CA PRO A 75 9.598 -6.841 -3.212 1.00 0.00 C ATOM 766 C PRO A 75 8.544 -6.298 -2.239 1.00 0.00 C ATOM 767 O PRO A 75 8.637 -6.488 -1.047 1.00 0.00 O ATOM 768 CB PRO A 75 10.113 -8.218 -2.791 1.00 0.00 C ATOM 769 CG PRO A 75 11.326 -7.940 -1.966 1.00 0.00 C ATOM 770 CD PRO A 75 11.929 -6.663 -2.486 1.00 0.00 C ATOM 0 HA PRO A 75 9.122 -6.874 -4.192 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.362 -8.762 -2.218 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.358 -8.830 -3.659 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.062 -7.841 -0.913 1.00 0.00 H new ATOM 0 HG3 PRO A 75 12.039 -8.761 -2.040 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.343 -6.059 -1.678 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.742 -6.861 -3.185 1.00 0.00 H new ATOM 778 N VAL A 76 7.561 -5.597 -2.746 1.00 0.00 N ATOM 779 CA VAL A 76 6.510 -5.004 -1.860 1.00 0.00 C ATOM 780 C VAL A 76 5.329 -5.964 -1.689 1.00 0.00 C ATOM 781 O VAL A 76 5.025 -6.753 -2.563 1.00 0.00 O ATOM 782 CB VAL A 76 6.048 -3.725 -2.573 1.00 0.00 C ATOM 783 CG1 VAL A 76 5.275 -2.846 -1.589 1.00 0.00 C ATOM 784 CG2 VAL A 76 7.257 -2.943 -3.098 1.00 0.00 C ATOM 0 H VAL A 76 7.440 -5.408 -3.741 1.00 0.00 H new ATOM 0 HA VAL A 76 6.901 -4.803 -0.862 1.00 0.00 H new ATOM 0 HB VAL A 76 5.408 -4.001 -3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.946 -1.937 -2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.406 -3.391 -1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.921 -2.582 -0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.915 -2.039 -3.601 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.905 -2.671 -2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.813 -3.562 -3.802 1.00 0.00 H new ATOM 794 N SER A 77 4.656 -5.882 -0.568 1.00 0.00 N ATOM 795 CA SER A 77 3.480 -6.769 -0.319 1.00 0.00 C ATOM 796 C SER A 77 2.471 -6.048 0.590 1.00 0.00 C ATOM 797 O SER A 77 2.838 -5.486 1.606 1.00 0.00 O ATOM 798 CB SER A 77 4.053 -8.005 0.386 1.00 0.00 C ATOM 799 OG SER A 77 5.079 -8.582 -0.417 1.00 0.00 O ATOM 0 H SER A 77 4.873 -5.234 0.189 1.00 0.00 H new ATOM 0 HA SER A 77 2.956 -7.036 -1.237 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.454 -7.727 1.361 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.262 -8.734 0.563 1.00 0.00 H new ATOM 0 HG SER A 77 5.445 -9.370 0.036 1.00 0.00 H new ATOM 805 N PHE A 78 1.205 -6.049 0.234 1.00 0.00 N ATOM 806 CA PHE A 78 0.181 -5.352 1.088 1.00 0.00 C ATOM 807 C PHE A 78 -1.246 -5.755 0.697 1.00 0.00 C ATOM 808 O PHE A 78 -1.489 -6.270 -0.378 1.00 0.00 O ATOM 809 CB PHE A 78 0.372 -3.847 0.843 1.00 0.00 C ATOM 810 CG PHE A 78 0.462 -3.554 -0.639 1.00 0.00 C ATOM 811 CD1 PHE A 78 -0.707 -3.430 -1.400 1.00 0.00 C ATOM 812 CD2 PHE A 78 1.711 -3.398 -1.247 1.00 0.00 C ATOM 813 CE1 PHE A 78 -0.624 -3.150 -2.768 1.00 0.00 C ATOM 814 CE2 PHE A 78 1.794 -3.120 -2.618 1.00 0.00 C ATOM 815 CZ PHE A 78 0.626 -2.996 -3.377 1.00 0.00 C ATOM 0 H PHE A 78 0.837 -6.498 -0.604 1.00 0.00 H new ATOM 0 HA PHE A 78 0.315 -5.622 2.135 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.460 -3.294 1.278 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.278 -3.504 1.342 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.672 -3.551 -0.931 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.613 -3.492 -0.660 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.526 -3.053 -3.355 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.759 -3.002 -3.088 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.689 -2.781 -4.434 1.00 0.00 H new ATOM 825 N THR A 79 -2.191 -5.493 1.563 1.00 0.00 N ATOM 826 CA THR A 79 -3.615 -5.824 1.256 1.00 0.00 C ATOM 827 C THR A 79 -4.413 -4.536 1.076 1.00 0.00 C ATOM 828 O THR A 79 -4.308 -3.614 1.862 1.00 0.00 O ATOM 829 CB THR A 79 -4.147 -6.613 2.458 1.00 0.00 C ATOM 830 OG1 THR A 79 -3.669 -6.039 3.665 1.00 0.00 O ATOM 831 CG2 THR A 79 -3.693 -8.071 2.363 1.00 0.00 C ATOM 0 H THR A 79 -2.037 -5.062 2.474 1.00 0.00 H new ATOM 0 HA THR A 79 -3.703 -6.405 0.338 1.00 0.00 H new ATOM 0 HB THR A 79 -5.236 -6.575 2.453 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.014 -6.548 4.428 1.00 0.00 H new ATOM 0 HG21 THR A 79 -4.074 -8.627 3.220 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.077 -8.513 1.444 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.604 -8.113 2.358 1.00 0.00 H new ATOM 839 N VAL A 80 -5.212 -4.471 0.049 1.00 0.00 N ATOM 840 CA VAL A 80 -6.030 -3.243 -0.193 1.00 0.00 C ATOM 841 C VAL A 80 -7.518 -3.572 -0.026 1.00 0.00 C ATOM 842 O VAL A 80 -7.945 -4.686 -0.261 1.00 0.00 O ATOM 843 CB VAL A 80 -5.702 -2.799 -1.629 1.00 0.00 C ATOM 844 CG1 VAL A 80 -4.217 -2.426 -1.719 1.00 0.00 C ATOM 845 CG2 VAL A 80 -5.999 -3.933 -2.618 1.00 0.00 C ATOM 0 H VAL A 80 -5.337 -5.215 -0.637 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.805 -2.445 0.515 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.319 -1.937 -1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.982 -2.111 -2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.004 -1.610 -1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.608 -3.291 -1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.762 -3.605 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.392 -4.803 -2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.055 -4.199 -2.560 1.00 0.00 H new ATOM 855 N LYS A 81 -8.306 -2.612 0.389 1.00 0.00 N ATOM 856 CA LYS A 81 -9.768 -2.859 0.588 1.00 0.00 C ATOM 857 C LYS A 81 -10.588 -1.895 -0.282 1.00 0.00 C ATOM 858 O LYS A 81 -10.139 -0.814 -0.616 1.00 0.00 O ATOM 859 CB LYS A 81 -10.006 -2.609 2.090 1.00 0.00 C ATOM 860 CG LYS A 81 -11.491 -2.347 2.371 1.00 0.00 C ATOM 861 CD LYS A 81 -11.983 -3.303 3.462 1.00 0.00 C ATOM 862 CE LYS A 81 -12.849 -4.398 2.829 1.00 0.00 C ATOM 863 NZ LYS A 81 -12.979 -5.455 3.874 1.00 0.00 N ATOM 0 H LYS A 81 -7.998 -1.663 0.600 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.072 -3.865 0.298 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.669 -3.472 2.665 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.413 -1.756 2.420 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.635 -1.314 2.687 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.074 -2.487 1.461 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.134 -3.750 3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.558 -2.755 4.208 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.825 -4.009 2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.384 -4.794 1.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.185 -6.368 3.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.090 -5.526 4.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.754 -5.208 4.523 1.00 0.00 H new ATOM 877 N GLU A 82 -11.783 -2.286 -0.653 1.00 0.00 N ATOM 878 CA GLU A 82 -12.642 -1.402 -1.506 1.00 0.00 C ATOM 879 C GLU A 82 -13.014 -0.114 -0.749 1.00 0.00 C ATOM 880 O GLU A 82 -13.280 -0.132 0.438 1.00 0.00 O ATOM 881 CB GLU A 82 -13.898 -2.233 -1.812 1.00 0.00 C ATOM 882 CG GLU A 82 -14.360 -1.952 -3.247 1.00 0.00 C ATOM 883 CD GLU A 82 -15.750 -2.555 -3.474 1.00 0.00 C ATOM 884 OE1 GLU A 82 -16.715 -1.950 -3.035 1.00 0.00 O ATOM 885 OE2 GLU A 82 -15.825 -3.610 -4.086 1.00 0.00 O ATOM 0 H GLU A 82 -12.203 -3.181 -0.402 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.129 -1.092 -2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.684 -3.295 -1.689 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -14.692 -1.984 -1.108 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -14.387 -0.877 -3.426 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -13.650 -2.376 -3.957 1.00 0.00 H new ATOM 892 N THR A 83 -13.033 1.003 -1.438 1.00 0.00 N ATOM 893 CA THR A 83 -13.387 2.302 -0.777 1.00 0.00 C ATOM 894 C THR A 83 -14.732 2.818 -1.316 1.00 0.00 C ATOM 895 O THR A 83 -15.250 2.312 -2.295 1.00 0.00 O ATOM 896 CB THR A 83 -12.253 3.272 -1.152 1.00 0.00 C ATOM 897 OG1 THR A 83 -12.041 3.250 -2.562 1.00 0.00 O ATOM 898 CG2 THR A 83 -10.964 2.861 -0.436 1.00 0.00 C ATOM 0 H THR A 83 -12.818 1.072 -2.433 1.00 0.00 H new ATOM 0 HA THR A 83 -13.490 2.198 0.303 1.00 0.00 H new ATOM 0 HB THR A 83 -12.533 4.280 -0.846 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.319 3.871 -2.794 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.163 3.550 -0.704 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.122 2.890 0.642 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.688 1.850 -0.736 1.00 0.00 H new ATOM 906 N VAL A 84 -15.297 3.824 -0.691 1.00 0.00 N ATOM 907 CA VAL A 84 -16.605 4.370 -1.182 1.00 0.00 C ATOM 908 C VAL A 84 -16.423 5.056 -2.547 1.00 0.00 C ATOM 909 O VAL A 84 -17.371 5.230 -3.289 1.00 0.00 O ATOM 910 CB VAL A 84 -17.075 5.389 -0.129 1.00 0.00 C ATOM 911 CG1 VAL A 84 -17.192 4.713 1.240 1.00 0.00 C ATOM 912 CG2 VAL A 84 -16.079 6.551 -0.040 1.00 0.00 C ATOM 0 H VAL A 84 -14.913 4.288 0.132 1.00 0.00 H new ATOM 0 HA VAL A 84 -17.338 3.574 -1.315 1.00 0.00 H new ATOM 0 HB VAL A 84 -18.051 5.773 -0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.525 5.442 1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -17.914 3.898 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.220 4.317 1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -16.421 7.267 0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -15.099 6.169 0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -16.009 7.045 -1.009 1.00 0.00 H new ATOM 922 N CYS A 85 -15.214 5.448 -2.879 1.00 0.00 N ATOM 923 CA CYS A 85 -14.972 6.126 -4.189 1.00 0.00 C ATOM 924 C CYS A 85 -14.756 5.096 -5.306 1.00 0.00 C ATOM 925 O CYS A 85 -13.899 4.235 -5.197 1.00 0.00 O ATOM 926 CB CYS A 85 -13.697 6.945 -3.989 1.00 0.00 C ATOM 927 SG CYS A 85 -14.098 8.513 -3.187 1.00 0.00 S ATOM 0 H CYS A 85 -14.385 5.326 -2.297 1.00 0.00 H new ATOM 0 HA CYS A 85 -15.822 6.742 -4.481 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -12.986 6.386 -3.381 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -13.218 7.130 -4.950 1.00 0.00 H new ATOM 932 N PRO A 86 -15.531 5.229 -6.355 1.00 0.00 N ATOM 933 CA PRO A 86 -15.404 4.313 -7.509 1.00 0.00 C ATOM 934 C PRO A 86 -14.228 4.741 -8.397 1.00 0.00 C ATOM 935 O PRO A 86 -13.813 5.885 -8.384 1.00 0.00 O ATOM 936 CB PRO A 86 -16.726 4.481 -8.249 1.00 0.00 C ATOM 937 CG PRO A 86 -17.223 5.845 -7.878 1.00 0.00 C ATOM 938 CD PRO A 86 -16.591 6.227 -6.559 1.00 0.00 C ATOM 0 HA PRO A 86 -15.213 3.280 -7.218 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -16.586 4.394 -9.326 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -17.440 3.711 -7.957 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -16.962 6.569 -8.650 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -18.310 5.845 -7.795 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -16.184 7.237 -6.592 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -17.319 6.203 -5.748 1.00 0.00 H new ATOM 946 N ARG A 87 -13.697 3.834 -9.174 1.00 0.00 N ATOM 947 CA ARG A 87 -12.558 4.185 -10.071 1.00 0.00 C ATOM 948 C ARG A 87 -13.095 4.514 -11.474 1.00 0.00 C ATOM 949 O ARG A 87 -13.970 3.826 -11.963 1.00 0.00 O ATOM 950 CB ARG A 87 -11.680 2.926 -10.106 1.00 0.00 C ATOM 951 CG ARG A 87 -10.591 3.059 -11.178 1.00 0.00 C ATOM 952 CD ARG A 87 -9.404 3.851 -10.618 1.00 0.00 C ATOM 953 NE ARG A 87 -8.668 4.359 -11.818 1.00 0.00 N ATOM 954 CZ ARG A 87 -7.798 5.334 -11.704 1.00 0.00 C ATOM 955 NH1 ARG A 87 -7.244 5.595 -10.548 1.00 0.00 N ATOM 956 NH2 ARG A 87 -7.483 6.052 -12.751 1.00 0.00 N ATOM 0 H ARG A 87 -14.004 2.863 -9.226 1.00 0.00 H new ATOM 0 HA ARG A 87 -11.999 5.055 -9.726 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.220 2.769 -9.130 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -12.297 2.051 -10.312 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -10.261 2.071 -11.499 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -10.993 3.562 -12.057 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -9.742 4.673 -9.987 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.764 3.219 -10.003 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.844 3.943 -12.733 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.488 5.039 -9.728 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.568 6.355 -10.466 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.914 5.853 -13.654 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.807 6.811 -12.664 1.00 0.00 H new ATOM 970 N PRO A 88 -12.557 5.545 -12.095 1.00 0.00 N ATOM 971 CA PRO A 88 -11.487 6.383 -11.494 1.00 0.00 C ATOM 972 C PRO A 88 -12.084 7.571 -10.717 1.00 0.00 C ATOM 973 O PRO A 88 -13.069 8.159 -11.127 1.00 0.00 O ATOM 974 CB PRO A 88 -10.730 6.888 -12.720 1.00 0.00 C ATOM 975 CG PRO A 88 -11.716 6.861 -13.852 1.00 0.00 C ATOM 976 CD PRO A 88 -12.896 6.011 -13.438 1.00 0.00 C ATOM 0 HA PRO A 88 -10.867 5.838 -10.782 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.350 7.897 -12.557 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.870 6.255 -12.936 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.043 7.872 -14.094 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -11.251 6.453 -14.750 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -13.820 6.589 -13.436 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -13.043 5.176 -14.123 1.00 0.00 H new ATOM 984 N THR A 89 -11.476 7.946 -9.616 1.00 0.00 N ATOM 985 CA THR A 89 -11.984 9.117 -8.830 1.00 0.00 C ATOM 986 C THR A 89 -11.157 10.359 -9.200 1.00 0.00 C ATOM 987 O THR A 89 -10.064 10.242 -9.723 1.00 0.00 O ATOM 988 CB THR A 89 -11.790 8.721 -7.352 1.00 0.00 C ATOM 989 OG1 THR A 89 -12.917 7.972 -6.917 1.00 0.00 O ATOM 990 CG2 THR A 89 -11.645 9.964 -6.459 1.00 0.00 C ATOM 0 H THR A 89 -10.650 7.492 -9.227 1.00 0.00 H new ATOM 0 HA THR A 89 -13.028 9.357 -9.031 1.00 0.00 H new ATOM 0 HB THR A 89 -10.880 8.127 -7.273 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.076 7.230 -7.537 1.00 0.00 H new ATOM 0 HG21 THR A 89 -11.510 9.654 -5.423 1.00 0.00 H new ATOM 0 HG22 THR A 89 -10.780 10.544 -6.780 1.00 0.00 H new ATOM 0 HG23 THR A 89 -12.543 10.577 -6.540 1.00 0.00 H new ATOM 998 N ARG A 90 -11.667 11.543 -8.937 1.00 0.00 N ATOM 999 CA ARG A 90 -10.902 12.789 -9.277 1.00 0.00 C ATOM 1000 C ARG A 90 -9.470 12.676 -8.744 1.00 0.00 C ATOM 1001 O ARG A 90 -8.510 12.842 -9.471 1.00 0.00 O ATOM 1002 CB ARG A 90 -11.650 13.933 -8.583 1.00 0.00 C ATOM 1003 CG ARG A 90 -12.888 14.311 -9.404 1.00 0.00 C ATOM 1004 CD ARG A 90 -13.800 15.219 -8.572 1.00 0.00 C ATOM 1005 NE ARG A 90 -14.688 14.290 -7.814 1.00 0.00 N ATOM 1006 CZ ARG A 90 -15.004 14.555 -6.574 1.00 0.00 C ATOM 1007 NH1 ARG A 90 -16.068 15.267 -6.307 1.00 0.00 N ATOM 1008 NH2 ARG A 90 -14.250 14.106 -5.603 1.00 0.00 N ATOM 0 H ARG A 90 -12.577 11.699 -8.503 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.836 12.954 -10.352 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -11.946 13.631 -7.578 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.995 14.797 -8.476 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.588 14.821 -10.319 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -13.427 13.412 -9.702 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.220 15.848 -7.897 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -14.380 15.886 -9.210 1.00 0.00 H new ATOM 0 HE ARG A 90 -15.048 13.448 -8.264 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -16.652 15.616 -7.067 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -16.314 15.473 -5.339 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.420 13.552 -5.816 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.492 14.310 -4.633 1.00 0.00 H new ATOM 1022 N GLN A 91 -9.330 12.372 -7.480 1.00 0.00 N ATOM 1023 CA GLN A 91 -7.975 12.213 -6.881 1.00 0.00 C ATOM 1024 C GLN A 91 -7.717 10.720 -6.597 1.00 0.00 C ATOM 1025 O GLN A 91 -8.565 9.890 -6.869 1.00 0.00 O ATOM 1026 CB GLN A 91 -8.026 13.025 -5.581 1.00 0.00 C ATOM 1027 CG GLN A 91 -7.134 14.266 -5.711 1.00 0.00 C ATOM 1028 CD GLN A 91 -7.947 15.425 -6.297 1.00 0.00 C ATOM 1029 OE1 GLN A 91 -8.308 15.402 -7.457 1.00 0.00 O ATOM 1030 NE2 GLN A 91 -8.248 16.445 -5.541 1.00 0.00 N ATOM 0 H GLN A 91 -10.105 12.226 -6.833 1.00 0.00 H new ATOM 0 HA GLN A 91 -7.172 12.557 -7.533 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.052 13.324 -5.368 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -7.692 12.411 -4.744 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -6.737 14.544 -4.735 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.280 14.047 -6.352 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -7.945 16.465 -4.567 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -8.786 17.222 -5.924 1.00 0.00 H new ATOM 1039 N PRO A 92 -6.560 10.421 -6.053 1.00 0.00 N ATOM 1040 CA PRO A 92 -6.218 9.007 -5.728 1.00 0.00 C ATOM 1041 C PRO A 92 -7.122 8.484 -4.599 1.00 0.00 C ATOM 1042 O PRO A 92 -7.838 9.244 -3.987 1.00 0.00 O ATOM 1043 CB PRO A 92 -4.756 9.093 -5.283 1.00 0.00 C ATOM 1044 CG PRO A 92 -4.575 10.502 -4.828 1.00 0.00 C ATOM 1045 CD PRO A 92 -5.476 11.344 -5.686 1.00 0.00 C ATOM 0 HA PRO A 92 -6.361 8.320 -6.562 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.546 8.388 -4.479 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.079 8.853 -6.103 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.834 10.606 -3.774 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.536 10.814 -4.933 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.853 12.210 -5.143 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.955 11.721 -6.566 1.00 0.00 H new ATOM 1053 N PRO A 93 -7.061 7.196 -4.361 1.00 0.00 N ATOM 1054 CA PRO A 93 -7.886 6.577 -3.282 1.00 0.00 C ATOM 1055 C PRO A 93 -7.327 6.895 -1.876 1.00 0.00 C ATOM 1056 O PRO A 93 -7.766 6.327 -0.893 1.00 0.00 O ATOM 1057 CB PRO A 93 -7.774 5.082 -3.573 1.00 0.00 C ATOM 1058 CG PRO A 93 -6.487 4.922 -4.319 1.00 0.00 C ATOM 1059 CD PRO A 93 -6.243 6.204 -5.070 1.00 0.00 C ATOM 0 HA PRO A 93 -8.911 6.949 -3.278 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.769 4.501 -2.651 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.619 4.732 -4.166 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.667 4.718 -3.631 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.544 4.078 -5.007 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.188 6.477 -5.060 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.540 6.116 -6.115 1.00 0.00 H new ATOM 1067 N GLU A 94 -6.365 7.788 -1.767 1.00 0.00 N ATOM 1068 CA GLU A 94 -5.784 8.122 -0.427 1.00 0.00 C ATOM 1069 C GLU A 94 -6.591 9.226 0.294 1.00 0.00 C ATOM 1070 O GLU A 94 -6.209 9.672 1.360 1.00 0.00 O ATOM 1071 CB GLU A 94 -4.363 8.607 -0.734 1.00 0.00 C ATOM 1072 CG GLU A 94 -3.536 8.650 0.556 1.00 0.00 C ATOM 1073 CD GLU A 94 -2.201 7.932 0.339 1.00 0.00 C ATOM 1074 OE1 GLU A 94 -2.160 6.731 0.543 1.00 0.00 O ATOM 1075 OE2 GLU A 94 -1.242 8.596 -0.018 1.00 0.00 O ATOM 0 H GLU A 94 -5.959 8.299 -2.551 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.803 7.262 0.242 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.891 7.942 -1.457 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.398 9.598 -1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.360 9.684 0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.087 8.176 1.368 1.00 0.00 H new ATOM 1082 N LEU A 95 -7.700 9.663 -0.259 1.00 0.00 N ATOM 1083 CA LEU A 95 -8.513 10.727 0.423 1.00 0.00 C ATOM 1084 C LEU A 95 -9.990 10.323 0.537 1.00 0.00 C ATOM 1085 O LEU A 95 -10.808 11.095 0.999 1.00 0.00 O ATOM 1086 CB LEU A 95 -8.384 12.038 -0.399 1.00 0.00 C ATOM 1087 CG LEU A 95 -8.228 11.817 -1.917 1.00 0.00 C ATOM 1088 CD1 LEU A 95 -6.851 11.224 -2.236 1.00 0.00 C ATOM 1089 CD2 LEU A 95 -9.349 10.909 -2.441 1.00 0.00 C ATOM 0 H LEU A 95 -8.076 9.332 -1.147 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.136 10.868 1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.266 12.654 -0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.524 12.600 -0.034 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.305 12.781 -2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.759 11.075 -3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.073 11.908 -1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.740 10.267 -1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.226 10.762 -3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -9.303 9.945 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.315 11.375 -2.247 1.00 0.00 H new ATOM 1101 N CYS A 96 -10.340 9.132 0.128 1.00 0.00 N ATOM 1102 CA CYS A 96 -11.765 8.699 0.221 1.00 0.00 C ATOM 1103 C CYS A 96 -11.979 7.808 1.453 1.00 0.00 C ATOM 1104 O CYS A 96 -11.050 7.507 2.182 1.00 0.00 O ATOM 1105 CB CYS A 96 -12.019 7.927 -1.074 1.00 0.00 C ATOM 1106 SG CYS A 96 -12.335 9.109 -2.409 1.00 0.00 S ATOM 0 H CYS A 96 -9.701 8.441 -0.266 1.00 0.00 H new ATOM 0 HA CYS A 96 -12.451 9.539 0.334 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -11.158 7.305 -1.317 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -12.871 7.258 -0.953 1.00 0.00 H new ATOM 1111 N ASP A 97 -13.200 7.394 1.695 1.00 0.00 N ATOM 1112 CA ASP A 97 -13.482 6.534 2.887 1.00 0.00 C ATOM 1113 C ASP A 97 -13.098 5.074 2.608 1.00 0.00 C ATOM 1114 O ASP A 97 -12.473 4.762 1.611 1.00 0.00 O ATOM 1115 CB ASP A 97 -14.994 6.654 3.133 1.00 0.00 C ATOM 1116 CG ASP A 97 -15.384 8.124 3.330 1.00 0.00 C ATOM 1117 OD1 ASP A 97 -14.718 8.799 4.099 1.00 0.00 O ATOM 1118 OD2 ASP A 97 -16.343 8.546 2.706 1.00 0.00 O ATOM 0 H ASP A 97 -14.012 7.614 1.119 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.903 6.850 3.755 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -15.541 6.235 2.289 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -15.274 6.075 4.013 1.00 0.00 H new ATOM 1123 N PHE A 98 -13.475 4.182 3.489 1.00 0.00 N ATOM 1124 CA PHE A 98 -13.148 2.736 3.308 1.00 0.00 C ATOM 1125 C PHE A 98 -14.407 1.886 3.517 1.00 0.00 C ATOM 1126 O PHE A 98 -15.164 2.108 4.444 1.00 0.00 O ATOM 1127 CB PHE A 98 -12.126 2.425 4.407 1.00 0.00 C ATOM 1128 CG PHE A 98 -10.811 1.969 3.809 1.00 0.00 C ATOM 1129 CD1 PHE A 98 -10.788 1.150 2.673 1.00 0.00 C ATOM 1130 CD2 PHE A 98 -9.608 2.359 4.412 1.00 0.00 C ATOM 1131 CE1 PHE A 98 -9.565 0.726 2.141 1.00 0.00 C ATOM 1132 CE2 PHE A 98 -8.387 1.932 3.880 1.00 0.00 C ATOM 1133 CZ PHE A 98 -8.365 1.116 2.745 1.00 0.00 C ATOM 0 H PHE A 98 -14.002 4.397 4.336 1.00 0.00 H new ATOM 0 HA PHE A 98 -12.766 2.520 2.310 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -11.963 3.312 5.019 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -12.519 1.650 5.066 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -11.714 0.846 2.208 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -9.624 2.990 5.288 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -9.548 0.097 1.263 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -7.460 2.233 4.346 1.00 0.00 H new ATOM 0 HZ PHE A 98 -7.422 0.787 2.335 1.00 0.00 H new ATOM 1143 N LYS A 99 -14.630 0.909 2.677 1.00 0.00 N ATOM 1144 CA LYS A 99 -15.835 0.040 2.847 1.00 0.00 C ATOM 1145 C LYS A 99 -15.433 -1.250 3.559 1.00 0.00 C ATOM 1146 O LYS A 99 -14.671 -2.039 3.039 1.00 0.00 O ATOM 1147 CB LYS A 99 -16.339 -0.273 1.436 1.00 0.00 C ATOM 1148 CG LYS A 99 -16.638 1.028 0.685 1.00 0.00 C ATOM 1149 CD LYS A 99 -18.149 1.167 0.472 1.00 0.00 C ATOM 1150 CE LYS A 99 -18.567 0.396 -0.788 1.00 0.00 C ATOM 1151 NZ LYS A 99 -19.870 -0.242 -0.441 1.00 0.00 N ATOM 0 H LYS A 99 -14.033 0.675 1.884 1.00 0.00 H new ATOM 0 HA LYS A 99 -16.607 0.528 3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -15.591 -0.852 0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -17.239 -0.886 1.490 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -16.261 1.880 1.250 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -16.124 1.031 -0.276 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -18.685 0.783 1.340 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -18.417 2.219 0.372 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -18.671 1.065 -1.643 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -17.821 -0.352 -1.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -20.218 -0.787 -1.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -19.740 -0.879 0.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -20.563 0.494 -0.196 1.00 0.00 H new ATOM 1165 N GLU A 100 -15.932 -1.465 4.744 1.00 0.00 N ATOM 1166 CA GLU A 100 -15.570 -2.707 5.494 1.00 0.00 C ATOM 1167 C GLU A 100 -16.138 -3.943 4.786 1.00 0.00 C ATOM 1168 O GLU A 100 -15.489 -4.969 4.701 1.00 0.00 O ATOM 1169 CB GLU A 100 -16.197 -2.532 6.884 1.00 0.00 C ATOM 1170 CG GLU A 100 -16.088 -3.837 7.681 1.00 0.00 C ATOM 1171 CD GLU A 100 -17.391 -4.636 7.552 1.00 0.00 C ATOM 1172 OE1 GLU A 100 -18.429 -4.109 7.921 1.00 0.00 O ATOM 1173 OE2 GLU A 100 -17.328 -5.762 7.087 1.00 0.00 O ATOM 0 H GLU A 100 -16.574 -0.837 5.228 1.00 0.00 H new ATOM 0 HA GLU A 100 -14.492 -2.853 5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -15.694 -1.727 7.419 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -17.244 -2.244 6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.250 -4.429 7.314 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -15.888 -3.618 8.730 1.00 0.00 H new ATOM 1180 N ASN A 101 -17.339 -3.849 4.275 1.00 0.00 N ATOM 1181 CA ASN A 101 -17.949 -5.017 3.564 1.00 0.00 C ATOM 1182 C ASN A 101 -17.297 -5.219 2.182 1.00 0.00 C ATOM 1183 O ASN A 101 -17.592 -6.179 1.497 1.00 0.00 O ATOM 1184 CB ASN A 101 -19.439 -4.677 3.421 1.00 0.00 C ATOM 1185 CG ASN A 101 -20.062 -4.485 4.808 1.00 0.00 C ATOM 1186 OD1 ASN A 101 -20.504 -3.405 5.143 1.00 0.00 O ATOM 1187 ND2 ASN A 101 -20.116 -5.493 5.635 1.00 0.00 N ATOM 0 H ASN A 101 -17.925 -3.015 4.318 1.00 0.00 H new ATOM 0 HA ASN A 101 -17.799 -5.946 4.114 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -19.559 -3.770 2.829 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -19.954 -5.476 2.888 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -20.529 -5.372 6.560 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -19.746 -6.402 5.356 1.00 0.00 H new ATOM 1194 N GLY A 102 -16.407 -4.334 1.771 1.00 0.00 N ATOM 1195 CA GLY A 102 -15.738 -4.492 0.444 1.00 0.00 C ATOM 1196 C GLY A 102 -14.801 -5.702 0.474 1.00 0.00 C ATOM 1197 O GLY A 102 -14.476 -6.228 1.524 1.00 0.00 O ATOM 0 H GLY A 102 -16.120 -3.512 2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -16.487 -4.620 -0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.175 -3.591 0.201 1.00 0.00 H new ATOM 1201 N ARG A 103 -14.352 -6.141 -0.671 1.00 0.00 N ATOM 1202 CA ARG A 103 -13.422 -7.306 -0.708 1.00 0.00 C ATOM 1203 C ARG A 103 -11.976 -6.810 -0.594 1.00 0.00 C ATOM 1204 O ARG A 103 -11.651 -5.719 -1.023 1.00 0.00 O ATOM 1205 CB ARG A 103 -13.675 -7.996 -2.058 1.00 0.00 C ATOM 1206 CG ARG A 103 -13.028 -7.196 -3.196 1.00 0.00 C ATOM 1207 CD ARG A 103 -13.252 -7.923 -4.525 1.00 0.00 C ATOM 1208 NE ARG A 103 -12.159 -8.938 -4.608 1.00 0.00 N ATOM 1209 CZ ARG A 103 -12.415 -10.140 -5.050 1.00 0.00 C ATOM 1210 NH1 ARG A 103 -12.560 -10.349 -6.332 1.00 0.00 N ATOM 1211 NH2 ARG A 103 -12.524 -11.132 -4.208 1.00 0.00 N ATOM 0 H ARG A 103 -14.588 -5.744 -1.580 1.00 0.00 H new ATOM 0 HA ARG A 103 -13.586 -8.000 0.116 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -13.269 -9.007 -2.039 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -14.747 -8.087 -2.232 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -13.457 -6.195 -3.240 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -11.961 -7.077 -3.010 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -14.233 -8.398 -4.553 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -13.209 -7.229 -5.365 1.00 0.00 H new ATOM 0 HE ARG A 103 -11.212 -8.692 -4.319 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -12.473 -9.573 -6.988 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -12.760 -11.288 -6.676 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -12.409 -10.967 -3.208 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -12.724 -12.072 -4.550 1.00 0.00 H new ATOM 1225 N VAL A 104 -11.109 -7.594 -0.015 1.00 0.00 N ATOM 1226 CA VAL A 104 -9.689 -7.158 0.125 1.00 0.00 C ATOM 1227 C VAL A 104 -8.787 -8.017 -0.768 1.00 0.00 C ATOM 1228 O VAL A 104 -9.033 -9.194 -0.971 1.00 0.00 O ATOM 1229 CB VAL A 104 -9.344 -7.351 1.607 1.00 0.00 C ATOM 1230 CG1 VAL A 104 -7.848 -7.108 1.832 1.00 0.00 C ATOM 1231 CG2 VAL A 104 -10.143 -6.357 2.450 1.00 0.00 C ATOM 0 H VAL A 104 -11.321 -8.516 0.367 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.543 -6.122 -0.182 1.00 0.00 H new ATOM 0 HB VAL A 104 -9.594 -8.371 1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -7.611 -7.247 2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -7.271 -7.814 1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.596 -6.090 1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -9.898 -6.494 3.503 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.892 -5.340 2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.209 -6.527 2.300 1.00 0.00 H new ATOM 1241 N LYS A 105 -7.749 -7.430 -1.301 1.00 0.00 N ATOM 1242 CA LYS A 105 -6.818 -8.193 -2.182 1.00 0.00 C ATOM 1243 C LYS A 105 -5.367 -7.933 -1.767 1.00 0.00 C ATOM 1244 O LYS A 105 -4.992 -6.814 -1.468 1.00 0.00 O ATOM 1245 CB LYS A 105 -7.073 -7.652 -3.591 1.00 0.00 C ATOM 1246 CG LYS A 105 -8.197 -8.451 -4.255 1.00 0.00 C ATOM 1247 CD LYS A 105 -8.020 -8.415 -5.776 1.00 0.00 C ATOM 1248 CE LYS A 105 -8.535 -9.724 -6.384 1.00 0.00 C ATOM 1249 NZ LYS A 105 -9.184 -9.335 -7.669 1.00 0.00 N ATOM 0 H LYS A 105 -7.505 -6.449 -1.163 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.981 -9.269 -2.121 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.343 -6.597 -3.543 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.163 -7.721 -4.188 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.183 -9.482 -3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -9.166 -8.033 -3.981 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.564 -7.569 -6.196 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.969 -8.275 -6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.719 -10.427 -6.553 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.245 -10.214 -5.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.559 -10.183 -8.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.962 -8.672 -7.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.484 -8.878 -8.287 1.00 0.00 H new ATOM 1263 N GLN A 106 -4.546 -8.954 -1.759 1.00 0.00 N ATOM 1264 CA GLN A 106 -3.115 -8.763 -1.379 1.00 0.00 C ATOM 1265 C GLN A 106 -2.274 -8.566 -2.641 1.00 0.00 C ATOM 1266 O GLN A 106 -2.064 -9.487 -3.410 1.00 0.00 O ATOM 1267 CB GLN A 106 -2.704 -10.042 -0.645 1.00 0.00 C ATOM 1268 CG GLN A 106 -1.247 -9.926 -0.180 1.00 0.00 C ATOM 1269 CD GLN A 106 -1.190 -9.912 1.351 1.00 0.00 C ATOM 1270 OE1 GLN A 106 -0.666 -8.886 1.965 1.00 0.00 O flip ATOM 1271 NE2 GLN A 106 -1.629 -10.845 1.995 1.00 0.00 N flip ATOM 0 H GLN A 106 -4.806 -9.911 -1.999 1.00 0.00 H new ATOM 0 HA GLN A 106 -2.968 -7.886 -0.748 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.357 -10.207 0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.818 -10.903 -1.303 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -0.665 -10.762 -0.567 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -0.800 -9.015 -0.578 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -2.039 -11.647 1.516 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -1.588 -10.826 3.014 1.00 0.00 H new ATOM 1280 N CYS A 107 -1.794 -7.369 -2.858 1.00 0.00 N ATOM 1281 CA CYS A 107 -0.968 -7.104 -4.069 1.00 0.00 C ATOM 1282 C CYS A 107 0.515 -7.221 -3.728 1.00 0.00 C ATOM 1283 O CYS A 107 1.027 -6.518 -2.872 1.00 0.00 O ATOM 1284 CB CYS A 107 -1.319 -5.684 -4.502 1.00 0.00 C ATOM 1285 SG CYS A 107 -2.646 -5.744 -5.731 1.00 0.00 S ATOM 0 H CYS A 107 -1.939 -6.565 -2.248 1.00 0.00 H new ATOM 0 HA CYS A 107 -1.166 -7.820 -4.866 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -1.633 -5.096 -3.640 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -0.441 -5.192 -4.921 1.00 0.00 H new ATOM 1290 N VAL A 108 1.201 -8.109 -4.391 1.00 0.00 N ATOM 1291 CA VAL A 108 2.654 -8.295 -4.120 1.00 0.00 C ATOM 1292 C VAL A 108 3.458 -8.123 -5.414 1.00 0.00 C ATOM 1293 O VAL A 108 3.051 -8.563 -6.475 1.00 0.00 O ATOM 1294 CB VAL A 108 2.793 -9.722 -3.570 1.00 0.00 C ATOM 1295 CG1 VAL A 108 1.933 -9.878 -2.313 1.00 0.00 C ATOM 1296 CG2 VAL A 108 2.339 -10.739 -4.623 1.00 0.00 C ATOM 0 H VAL A 108 0.816 -8.718 -5.113 1.00 0.00 H new ATOM 0 HA VAL A 108 3.036 -7.560 -3.411 1.00 0.00 H new ATOM 0 HB VAL A 108 3.839 -9.903 -3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.035 -10.892 -1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.262 -9.166 -1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.889 -9.687 -2.561 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.442 -11.748 -4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.296 -10.555 -4.880 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.956 -10.638 -5.516 1.00 0.00 H new ATOM 1306 N GLY A 109 4.591 -7.480 -5.333 1.00 0.00 N ATOM 1307 CA GLY A 109 5.423 -7.272 -6.556 1.00 0.00 C ATOM 1308 C GLY A 109 6.785 -6.698 -6.176 1.00 0.00 C ATOM 1309 O GLY A 109 7.198 -6.760 -5.037 1.00 0.00 O ATOM 0 H GLY A 109 4.978 -7.089 -4.474 1.00 0.00 H new ATOM 0 HA2 GLY A 109 5.553 -8.218 -7.082 1.00 0.00 H new ATOM 0 HA3 GLY A 109 4.913 -6.594 -7.241 1.00 0.00 H new ATOM 1313 N THR A 110 7.488 -6.143 -7.131 1.00 0.00 N ATOM 1314 CA THR A 110 8.836 -5.560 -6.838 1.00 0.00 C ATOM 1315 C THR A 110 8.976 -4.170 -7.478 1.00 0.00 C ATOM 1316 O THR A 110 8.584 -3.953 -8.610 1.00 0.00 O ATOM 1317 CB THR A 110 9.855 -6.542 -7.436 1.00 0.00 C ATOM 1318 OG1 THR A 110 9.692 -6.613 -8.851 1.00 0.00 O ATOM 1319 CG2 THR A 110 9.660 -7.934 -6.826 1.00 0.00 C ATOM 0 H THR A 110 7.187 -6.068 -8.103 1.00 0.00 H new ATOM 0 HA THR A 110 8.992 -5.428 -5.767 1.00 0.00 H new ATOM 0 HB THR A 110 10.860 -6.188 -7.208 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.346 -7.240 -9.225 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.386 -8.624 -7.255 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.803 -7.882 -5.747 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.652 -8.288 -7.042 1.00 0.00 H new ATOM 1327 N VAL A 111 9.535 -3.229 -6.755 1.00 0.00 N ATOM 1328 CA VAL A 111 9.711 -1.845 -7.301 1.00 0.00 C ATOM 1329 C VAL A 111 11.079 -1.282 -6.889 1.00 0.00 C ATOM 1330 O VAL A 111 11.599 -1.602 -5.836 1.00 0.00 O ATOM 1331 CB VAL A 111 8.578 -1.006 -6.686 1.00 0.00 C ATOM 1332 CG1 VAL A 111 7.218 -1.599 -7.069 1.00 0.00 C ATOM 1333 CG2 VAL A 111 8.711 -0.990 -5.157 1.00 0.00 C ATOM 0 H VAL A 111 9.879 -3.361 -5.804 1.00 0.00 H new ATOM 0 HA VAL A 111 9.672 -1.833 -8.390 1.00 0.00 H new ATOM 0 HB VAL A 111 8.649 0.012 -7.069 1.00 0.00 H new ATOM 0 HG11 VAL A 111 6.422 -0.998 -6.629 1.00 0.00 H new ATOM 0 HG12 VAL A 111 7.114 -1.600 -8.154 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.149 -2.621 -6.697 1.00 0.00 H new ATOM 0 HG21 VAL A 111 7.905 -0.394 -4.728 1.00 0.00 H new ATOM 0 HG22 VAL A 111 8.651 -2.009 -4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 111 9.671 -0.555 -4.880 1.00 0.00 H new ATOM 1343 N THR A 112 11.663 -0.445 -7.706 1.00 0.00 N ATOM 1344 CA THR A 112 12.997 0.138 -7.360 1.00 0.00 C ATOM 1345 C THR A 112 12.834 1.269 -6.333 1.00 0.00 C ATOM 1346 O THR A 112 12.213 2.282 -6.606 1.00 0.00 O ATOM 1347 CB THR A 112 13.556 0.680 -8.682 1.00 0.00 C ATOM 1348 OG1 THR A 112 13.641 -0.380 -9.631 1.00 0.00 O ATOM 1349 CG2 THR A 112 14.948 1.276 -8.453 1.00 0.00 C ATOM 0 H THR A 112 11.275 -0.139 -8.598 1.00 0.00 H new ATOM 0 HA THR A 112 13.664 -0.599 -6.913 1.00 0.00 H new ATOM 0 HB THR A 112 12.893 1.457 -9.061 1.00 0.00 H new ATOM 0 HG1 THR A 112 14.140 -0.076 -10.417 1.00 0.00 H new ATOM 0 HG21 THR A 112 15.339 1.659 -9.395 1.00 0.00 H new ATOM 0 HG22 THR A 112 14.881 2.089 -7.730 1.00 0.00 H new ATOM 0 HG23 THR A 112 15.616 0.504 -8.070 1.00 0.00 H new ATOM 1357 N LEU A 113 13.393 1.102 -5.157 1.00 0.00 N ATOM 1358 CA LEU A 113 13.282 2.165 -4.105 1.00 0.00 C ATOM 1359 C LEU A 113 14.008 3.443 -4.551 1.00 0.00 C ATOM 1360 O LEU A 113 13.594 4.541 -4.229 1.00 0.00 O ATOM 1361 CB LEU A 113 13.961 1.576 -2.865 1.00 0.00 C ATOM 1362 CG LEU A 113 13.749 2.510 -1.667 1.00 0.00 C ATOM 1363 CD1 LEU A 113 12.500 2.084 -0.894 1.00 0.00 C ATOM 1364 CD2 LEU A 113 14.969 2.440 -0.745 1.00 0.00 C ATOM 0 H LEU A 113 13.922 0.275 -4.880 1.00 0.00 H new ATOM 0 HA LEU A 113 12.244 2.439 -3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 113 13.550 0.590 -2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 113 15.027 1.443 -3.051 1.00 0.00 H new ATOM 0 HG LEU A 113 13.619 3.531 -2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.353 2.750 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.631 2.136 -1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 113 12.624 1.062 -0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 113 14.820 3.103 0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 113 15.099 1.418 -0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 113 15.858 2.749 -1.294 1.00 0.00 H new ATOM 1376 N ASP A 114 15.089 3.307 -5.283 1.00 0.00 N ATOM 1377 CA ASP A 114 15.849 4.511 -5.748 1.00 0.00 C ATOM 1378 C ASP A 114 14.955 5.407 -6.621 1.00 0.00 C ATOM 1379 O ASP A 114 15.111 6.614 -6.643 1.00 0.00 O ATOM 1380 CB ASP A 114 17.026 3.965 -6.571 1.00 0.00 C ATOM 1381 CG ASP A 114 17.959 3.121 -5.688 1.00 0.00 C ATOM 1382 OD1 ASP A 114 18.142 3.470 -4.532 1.00 0.00 O ATOM 1383 OD2 ASP A 114 18.484 2.142 -6.191 1.00 0.00 O ATOM 0 H ASP A 114 15.478 2.412 -5.579 1.00 0.00 H new ATOM 0 HA ASP A 114 16.190 5.120 -4.911 1.00 0.00 H new ATOM 0 HB2 ASP A 114 16.650 3.359 -7.395 1.00 0.00 H new ATOM 0 HB3 ASP A 114 17.583 4.792 -7.012 1.00 0.00 H new ATOM 1388 N GLN A 115 14.025 4.824 -7.340 1.00 0.00 N ATOM 1389 CA GLN A 115 13.118 5.631 -8.213 1.00 0.00 C ATOM 1390 C GLN A 115 11.909 4.788 -8.646 1.00 0.00 C ATOM 1391 O GLN A 115 12.053 3.793 -9.334 1.00 0.00 O ATOM 1392 CB GLN A 115 13.966 6.030 -9.433 1.00 0.00 C ATOM 1393 CG GLN A 115 14.740 4.815 -9.964 1.00 0.00 C ATOM 1394 CD GLN A 115 15.442 5.182 -11.272 1.00 0.00 C ATOM 1395 OE1 GLN A 115 14.798 5.424 -12.274 1.00 0.00 O ATOM 1396 NE2 GLN A 115 16.745 5.235 -11.308 1.00 0.00 N ATOM 0 H GLN A 115 13.856 3.818 -7.359 1.00 0.00 H new ATOM 0 HA GLN A 115 12.727 6.506 -7.695 1.00 0.00 H new ATOM 0 HB2 GLN A 115 13.323 6.431 -10.216 1.00 0.00 H new ATOM 0 HB3 GLN A 115 14.663 6.821 -9.157 1.00 0.00 H new ATOM 0 HG2 GLN A 115 15.473 4.488 -9.226 1.00 0.00 H new ATOM 0 HG3 GLN A 115 14.058 3.981 -10.128 1.00 0.00 H new ATOM 0 HE21 GLN A 115 17.287 5.032 -10.468 1.00 0.00 H new ATOM 0 HE22 GLN A 115 17.222 5.479 -12.176 1.00 0.00 H new ATOM 1405 N ILE A 116 10.721 5.174 -8.251 1.00 0.00 N ATOM 1406 CA ILE A 116 9.508 4.391 -8.647 1.00 0.00 C ATOM 1407 C ILE A 116 9.213 4.623 -10.135 1.00 0.00 C ATOM 1408 O ILE A 116 8.706 5.659 -10.525 1.00 0.00 O ATOM 1409 CB ILE A 116 8.373 4.926 -7.767 1.00 0.00 C ATOM 1410 CG1 ILE A 116 8.706 4.670 -6.290 1.00 0.00 C ATOM 1411 CG2 ILE A 116 7.066 4.211 -8.122 1.00 0.00 C ATOM 1412 CD1 ILE A 116 9.080 5.986 -5.604 1.00 0.00 C ATOM 0 H ILE A 116 10.538 5.995 -7.673 1.00 0.00 H new ATOM 0 HA ILE A 116 9.637 3.317 -8.510 1.00 0.00 H new ATOM 0 HB ILE A 116 8.260 5.997 -7.937 1.00 0.00 H new ATOM 0 HG12 ILE A 116 7.850 4.219 -5.788 1.00 0.00 H new ATOM 0 HG13 ILE A 116 9.531 3.962 -6.212 1.00 0.00 H new ATOM 0 HG21 ILE A 116 6.260 4.593 -7.495 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.826 4.390 -9.170 1.00 0.00 H new ATOM 0 HG23 ILE A 116 7.180 3.140 -7.954 1.00 0.00 H new ATOM 0 HD11 ILE A 116 9.315 5.796 -4.557 1.00 0.00 H new ATOM 0 HD12 ILE A 116 9.949 6.420 -6.098 1.00 0.00 H new ATOM 0 HD13 ILE A 116 8.242 6.681 -5.668 1.00 0.00 H new ATOM 1424 N LYS A 117 9.554 3.666 -10.965 1.00 0.00 N ATOM 1425 CA LYS A 117 9.328 3.816 -12.437 1.00 0.00 C ATOM 1426 C LYS A 117 8.340 2.765 -12.965 1.00 0.00 C ATOM 1427 O LYS A 117 7.893 1.892 -12.242 1.00 0.00 O ATOM 1428 CB LYS A 117 10.718 3.612 -13.064 1.00 0.00 C ATOM 1429 CG LYS A 117 11.049 2.112 -13.150 1.00 0.00 C ATOM 1430 CD LYS A 117 12.398 1.834 -12.479 1.00 0.00 C ATOM 1431 CE LYS A 117 13.088 0.651 -13.172 1.00 0.00 C ATOM 1432 NZ LYS A 117 12.412 -0.572 -12.642 1.00 0.00 N ATOM 0 H LYS A 117 9.981 2.783 -10.684 1.00 0.00 H new ATOM 0 HA LYS A 117 8.893 4.785 -12.682 1.00 0.00 H new ATOM 0 HB2 LYS A 117 10.744 4.055 -14.060 1.00 0.00 H new ATOM 0 HB3 LYS A 117 11.473 4.124 -12.467 1.00 0.00 H new ATOM 0 HG2 LYS A 117 10.265 1.530 -12.665 1.00 0.00 H new ATOM 0 HG3 LYS A 117 11.081 1.797 -14.193 1.00 0.00 H new ATOM 0 HD2 LYS A 117 13.031 2.719 -12.534 1.00 0.00 H new ATOM 0 HD3 LYS A 117 12.250 1.613 -11.422 1.00 0.00 H new ATOM 0 HE2 LYS A 117 12.986 0.717 -14.255 1.00 0.00 H new ATOM 0 HE3 LYS A 117 14.156 0.636 -12.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 12.764 -1.410 -13.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 12.616 -0.669 -11.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 11.385 -0.489 -12.782 1.00 0.00 H new ATOM 1446 N ASP A 118 8.021 2.841 -14.231 1.00 0.00 N ATOM 1447 CA ASP A 118 7.085 1.854 -14.845 1.00 0.00 C ATOM 1448 C ASP A 118 7.795 1.104 -15.986 1.00 0.00 C ATOM 1449 O ASP A 118 8.750 1.605 -16.550 1.00 0.00 O ATOM 1450 CB ASP A 118 5.907 2.685 -15.378 1.00 0.00 C ATOM 1451 CG ASP A 118 6.321 3.453 -16.641 1.00 0.00 C ATOM 1452 OD1 ASP A 118 6.167 2.907 -17.722 1.00 0.00 O ATOM 1453 OD2 ASP A 118 6.779 4.574 -16.504 1.00 0.00 O ATOM 0 H ASP A 118 8.373 3.552 -14.872 1.00 0.00 H new ATOM 0 HA ASP A 118 6.746 1.102 -14.133 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.065 2.031 -15.602 1.00 0.00 H new ATOM 0 HB3 ASP A 118 5.572 3.385 -14.613 1.00 0.00 H new ATOM 1458 N PRO A 119 7.307 -0.075 -16.292 1.00 0.00 N ATOM 1459 CA PRO A 119 6.140 -0.644 -15.569 1.00 0.00 C ATOM 1460 C PRO A 119 6.557 -1.160 -14.183 1.00 0.00 C ATOM 1461 O PRO A 119 7.714 -1.102 -13.808 1.00 0.00 O ATOM 1462 CB PRO A 119 5.697 -1.801 -16.461 1.00 0.00 C ATOM 1463 CG PRO A 119 6.921 -2.199 -17.225 1.00 0.00 C ATOM 1464 CD PRO A 119 7.796 -0.976 -17.343 1.00 0.00 C ATOM 0 HA PRO A 119 5.351 0.088 -15.395 1.00 0.00 H new ATOM 0 HB2 PRO A 119 5.316 -2.632 -15.868 1.00 0.00 H new ATOM 0 HB3 PRO A 119 4.895 -1.495 -17.133 1.00 0.00 H new ATOM 0 HG2 PRO A 119 7.450 -3.002 -16.711 1.00 0.00 H new ATOM 0 HG3 PRO A 119 6.652 -2.575 -18.212 1.00 0.00 H new ATOM 0 HD2 PRO A 119 8.847 -1.224 -17.197 1.00 0.00 H new ATOM 0 HD3 PRO A 119 7.710 -0.520 -18.329 1.00 0.00 H new ATOM 1472 N LEU A 120 5.620 -1.676 -13.433 1.00 0.00 N ATOM 1473 CA LEU A 120 5.942 -2.219 -12.076 1.00 0.00 C ATOM 1474 C LEU A 120 5.452 -3.665 -11.981 1.00 0.00 C ATOM 1475 O LEU A 120 4.291 -3.955 -12.206 1.00 0.00 O ATOM 1476 CB LEU A 120 5.221 -1.316 -11.056 1.00 0.00 C ATOM 1477 CG LEU A 120 3.836 -0.899 -11.567 1.00 0.00 C ATOM 1478 CD1 LEU A 120 2.904 -0.664 -10.378 1.00 0.00 C ATOM 1479 CD2 LEU A 120 3.958 0.398 -12.374 1.00 0.00 C ATOM 0 H LEU A 120 4.639 -1.746 -13.702 1.00 0.00 H new ATOM 0 HA LEU A 120 7.014 -2.223 -11.881 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.118 -1.844 -10.108 1.00 0.00 H new ATOM 0 HB3 LEU A 120 5.823 -0.428 -10.863 1.00 0.00 H new ATOM 0 HG LEU A 120 3.432 -1.689 -12.200 1.00 0.00 H new ATOM 0 HD11 LEU A 120 1.920 -0.368 -10.740 1.00 0.00 H new ATOM 0 HD12 LEU A 120 2.816 -1.583 -9.798 1.00 0.00 H new ATOM 0 HD13 LEU A 120 3.311 0.126 -9.747 1.00 0.00 H new ATOM 0 HD21 LEU A 120 2.974 0.694 -12.737 1.00 0.00 H new ATOM 0 HD22 LEU A 120 4.363 1.185 -11.738 1.00 0.00 H new ATOM 0 HD23 LEU A 120 4.624 0.238 -13.222 1.00 0.00 H new ATOM 1491 N ASP A 121 6.341 -4.575 -11.680 1.00 0.00 N ATOM 1492 CA ASP A 121 5.957 -6.019 -11.598 1.00 0.00 C ATOM 1493 C ASP A 121 5.222 -6.331 -10.286 1.00 0.00 C ATOM 1494 O ASP A 121 5.784 -6.897 -9.367 1.00 0.00 O ATOM 1495 CB ASP A 121 7.281 -6.787 -11.673 1.00 0.00 C ATOM 1496 CG ASP A 121 7.860 -6.687 -13.088 1.00 0.00 C ATOM 1497 OD1 ASP A 121 8.528 -5.703 -13.366 1.00 0.00 O ATOM 1498 OD2 ASP A 121 7.625 -7.595 -13.869 1.00 0.00 O ATOM 0 H ASP A 121 7.323 -4.380 -11.486 1.00 0.00 H new ATOM 0 HA ASP A 121 5.272 -6.297 -12.399 1.00 0.00 H new ATOM 0 HB2 ASP A 121 7.989 -6.380 -10.951 1.00 0.00 H new ATOM 0 HB3 ASP A 121 7.121 -7.832 -11.409 1.00 0.00 H new ATOM 1503 N ILE A 122 3.961 -5.986 -10.208 1.00 0.00 N ATOM 1504 CA ILE A 122 3.161 -6.281 -8.972 1.00 0.00 C ATOM 1505 C ILE A 122 1.810 -6.898 -9.363 1.00 0.00 C ATOM 1506 O ILE A 122 1.246 -6.574 -10.393 1.00 0.00 O ATOM 1507 CB ILE A 122 2.959 -4.940 -8.242 1.00 0.00 C ATOM 1508 CG1 ILE A 122 2.306 -3.912 -9.174 1.00 0.00 C ATOM 1509 CG2 ILE A 122 4.308 -4.400 -7.755 1.00 0.00 C ATOM 1510 CD1 ILE A 122 0.795 -3.900 -8.938 1.00 0.00 C ATOM 0 H ILE A 122 3.446 -5.510 -10.949 1.00 0.00 H new ATOM 0 HA ILE A 122 3.673 -6.994 -8.325 1.00 0.00 H new ATOM 0 HB ILE A 122 2.304 -5.110 -7.388 1.00 0.00 H new ATOM 0 HG12 ILE A 122 2.722 -2.922 -8.989 1.00 0.00 H new ATOM 0 HG13 ILE A 122 2.521 -4.159 -10.214 1.00 0.00 H new ATOM 0 HG21 ILE A 122 4.156 -3.452 -7.240 1.00 0.00 H new ATOM 0 HG22 ILE A 122 4.761 -5.117 -7.070 1.00 0.00 H new ATOM 0 HG23 ILE A 122 4.968 -4.247 -8.609 1.00 0.00 H new ATOM 0 HD11 ILE A 122 0.329 -3.170 -9.600 1.00 0.00 H new ATOM 0 HD12 ILE A 122 0.387 -4.889 -9.145 1.00 0.00 H new ATOM 0 HD13 ILE A 122 0.591 -3.632 -7.901 1.00 0.00 H new ATOM 1522 N THR A 123 1.295 -7.794 -8.553 1.00 0.00 N ATOM 1523 CA THR A 123 -0.013 -8.445 -8.881 1.00 0.00 C ATOM 1524 C THR A 123 -0.761 -8.844 -7.602 1.00 0.00 C ATOM 1525 O THR A 123 -0.162 -9.127 -6.581 1.00 0.00 O ATOM 1526 CB THR A 123 0.354 -9.699 -9.686 1.00 0.00 C ATOM 1527 OG1 THR A 123 1.136 -9.340 -10.819 1.00 0.00 O ATOM 1528 CG2 THR A 123 -0.921 -10.406 -10.152 1.00 0.00 C ATOM 0 H THR A 123 1.724 -8.102 -7.680 1.00 0.00 H new ATOM 0 HA THR A 123 -0.668 -7.772 -9.434 1.00 0.00 H new ATOM 0 HB THR A 123 0.931 -10.370 -9.050 1.00 0.00 H new ATOM 0 HG1 THR A 123 1.367 -10.146 -11.326 1.00 0.00 H new ATOM 0 HG21 THR A 123 -0.656 -11.296 -10.723 1.00 0.00 H new ATOM 0 HG22 THR A 123 -1.514 -10.695 -9.285 1.00 0.00 H new ATOM 0 HG23 THR A 123 -1.502 -9.731 -10.781 1.00 0.00 H new ATOM 1536 N CYS A 124 -2.070 -8.887 -7.661 1.00 0.00 N ATOM 1537 CA CYS A 124 -2.869 -9.287 -6.463 1.00 0.00 C ATOM 1538 C CYS A 124 -3.361 -10.725 -6.621 1.00 0.00 C ATOM 1539 O CYS A 124 -3.594 -11.190 -7.721 1.00 0.00 O ATOM 1540 CB CYS A 124 -4.062 -8.332 -6.427 1.00 0.00 C ATOM 1541 SG CYS A 124 -3.892 -7.176 -5.044 1.00 0.00 S ATOM 0 H CYS A 124 -2.620 -8.661 -8.490 1.00 0.00 H new ATOM 0 HA CYS A 124 -2.279 -9.236 -5.548 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -4.125 -7.781 -7.366 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -4.988 -8.898 -6.326 1.00 0.00 H new ATOM 1546 N ASN A 125 -3.526 -11.430 -5.532 1.00 0.00 N ATOM 1547 CA ASN A 125 -4.012 -12.839 -5.629 1.00 0.00 C ATOM 1548 C ASN A 125 -5.261 -13.050 -4.761 1.00 0.00 C ATOM 1549 O ASN A 125 -5.412 -14.073 -4.121 1.00 0.00 O ATOM 1550 CB ASN A 125 -2.846 -13.702 -5.135 1.00 0.00 C ATOM 1551 CG ASN A 125 -2.189 -14.406 -6.325 1.00 0.00 C ATOM 1552 OD1 ASN A 125 -2.551 -15.515 -6.664 1.00 0.00 O ATOM 1553 ND2 ASN A 125 -1.234 -13.805 -6.980 1.00 0.00 N ATOM 0 H ASN A 125 -3.347 -11.094 -4.586 1.00 0.00 H new ATOM 0 HA ASN A 125 -4.304 -13.098 -6.647 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -2.115 -13.081 -4.617 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -3.204 -14.439 -4.416 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -0.793 -14.266 -7.775 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -0.929 -12.874 -6.697 1.00 0.00 H new ATOM 1560 N GLU A 126 -6.157 -12.089 -4.755 1.00 0.00 N ATOM 1561 CA GLU A 126 -7.423 -12.199 -3.950 1.00 0.00 C ATOM 1562 C GLU A 126 -7.151 -12.788 -2.554 1.00 0.00 C ATOM 1563 O GLU A 126 -7.436 -13.942 -2.287 1.00 0.00 O ATOM 1564 CB GLU A 126 -8.341 -13.115 -4.766 1.00 0.00 C ATOM 1565 CG GLU A 126 -9.792 -12.650 -4.605 1.00 0.00 C ATOM 1566 CD GLU A 126 -10.545 -12.819 -5.929 1.00 0.00 C ATOM 1567 OE1 GLU A 126 -10.138 -12.209 -6.906 1.00 0.00 O ATOM 1568 OE2 GLU A 126 -11.526 -13.543 -5.940 1.00 0.00 O ATOM 0 H GLU A 126 -6.065 -11.220 -5.281 1.00 0.00 H new ATOM 0 HA GLU A 126 -7.874 -11.222 -3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -8.054 -13.093 -5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -8.238 -14.146 -4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -10.283 -13.227 -3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -9.816 -11.606 -4.294 1.00 0.00 H new