USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 430 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 105 THR OG1 : rot 176:sc= -0.33! USER MOD Set 1.2: A 107 GLN : amide:sc= -2.68! C(o=-3!,f=-7.9!) USER MOD Single : A 64 ASN : amide:sc= -0.164 K(o=-0.16,f=-2.1!) USER MOD Single : A 70 HIS : no HE2:sc= -5.74! C(o=-5.7!,f=-5.6!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0605 USER MOD Single : A 72 TYR OH : rot 65:sc= -1.15! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HE2:sc= 0.0472 X(o=0.047,f=-0.27) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.0201 X(o=-0.02,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.0018 K(o=-0.0018,f=-2.7!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -130:sc= -2.91 (180deg=-7.4!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.261 USER MOD Single : A 104 THR OG1 : rot 124:sc= 0.987 USER MOD Single : A 114 ASN : amide:sc= -2.16 K(o=-2.2,f=-8.8!) USER MOD Single : A 118 LYS NZ :NH3+ 166:sc= -0.0243 (180deg=-0.241) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 64 1.964 2.412 12.785 1.00 0.00 N ATOM 2 CA ASN A 64 2.332 1.992 11.436 1.00 0.00 C ATOM 3 C ASN A 64 1.468 2.712 10.418 1.00 0.00 C ATOM 4 O ASN A 64 1.198 2.186 9.338 1.00 0.00 O ATOM 5 CB ASN A 64 2.146 0.483 11.258 1.00 0.00 C ATOM 6 CG ASN A 64 3.361 -0.316 11.689 1.00 0.00 C ATOM 7 OD1 ASN A 64 4.467 0.214 11.786 1.00 0.00 O ATOM 8 ND2 ASN A 64 3.159 -1.604 11.943 1.00 0.00 N ATOM 0 HA ASN A 64 3.382 2.241 11.284 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.280 0.158 11.835 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.930 0.270 10.211 1.00 0.00 H new ATOM 0 HD21 ASN A 64 3.938 -2.195 12.231 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.224 -2.002 11.850 1.00 0.00 H new ATOM 15 N LEU A 65 1.014 3.906 10.769 1.00 0.00 N ATOM 16 CA LEU A 65 0.161 4.660 9.879 1.00 0.00 C ATOM 17 C LEU A 65 0.956 5.459 8.870 1.00 0.00 C ATOM 18 O LEU A 65 2.012 6.018 9.167 1.00 0.00 O ATOM 19 CB LEU A 65 -0.769 5.586 10.651 1.00 0.00 C ATOM 20 CG LEU A 65 -1.507 6.599 9.794 1.00 0.00 C ATOM 21 CD1 LEU A 65 -2.330 5.883 8.739 1.00 0.00 C ATOM 22 CD2 LEU A 65 -2.384 7.499 10.651 1.00 0.00 C ATOM 0 H LEU A 65 1.222 4.365 11.656 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.439 3.929 9.337 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.501 4.981 11.186 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.187 6.120 11.402 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.775 7.232 9.293 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.856 6.617 8.128 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.672 5.289 8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.054 5.229 9.225 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.902 8.216 10.014 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.116 6.893 11.185 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.763 8.034 11.370 1.00 0.00 H new ATOM 34 N VAL A 66 0.414 5.492 7.673 1.00 0.00 N ATOM 35 CA VAL A 66 1.015 6.203 6.561 1.00 0.00 C ATOM 36 C VAL A 66 0.046 7.194 5.935 1.00 0.00 C ATOM 37 O VAL A 66 -1.085 7.356 6.389 1.00 0.00 O ATOM 38 CB VAL A 66 1.462 5.222 5.478 1.00 0.00 C ATOM 39 CG1 VAL A 66 2.786 4.579 5.850 1.00 0.00 C ATOM 40 CG2 VAL A 66 0.395 4.166 5.229 1.00 0.00 C ATOM 0 H VAL A 66 -0.462 5.024 7.440 1.00 0.00 H new ATOM 0 HA VAL A 66 1.872 6.746 6.960 1.00 0.00 H new ATOM 0 HB VAL A 66 1.604 5.779 4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.086 3.884 5.066 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.547 5.351 5.961 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.677 4.039 6.791 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.736 3.480 4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.210 3.612 6.149 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.527 4.649 4.905 1.00 0.00 H new ATOM 50 N ILE A 67 0.499 7.847 4.874 1.00 0.00 N ATOM 51 CA ILE A 67 -0.319 8.811 4.164 1.00 0.00 C ATOM 52 C ILE A 67 -0.037 8.756 2.668 1.00 0.00 C ATOM 53 O ILE A 67 1.110 8.854 2.233 1.00 0.00 O ATOM 54 CB ILE A 67 -0.125 10.245 4.716 1.00 0.00 C ATOM 55 CG1 ILE A 67 -1.375 10.639 5.489 1.00 0.00 C ATOM 56 CG2 ILE A 67 0.152 11.246 3.603 1.00 0.00 C ATOM 57 CD1 ILE A 67 -1.433 12.091 5.909 1.00 0.00 C ATOM 0 H ILE A 67 1.435 7.723 4.487 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.363 8.542 4.326 1.00 0.00 H new ATOM 0 HB ILE A 67 0.744 10.256 5.374 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.249 10.418 4.876 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.445 10.015 6.380 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.282 12.240 4.031 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.059 10.958 3.072 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.687 11.258 2.907 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.359 12.276 6.453 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.583 12.318 6.552 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.399 12.727 5.025 1.00 0.00 H new ATOM 69 N ALA A 68 -1.097 8.580 1.894 1.00 0.00 N ATOM 70 CA ALA A 68 -0.981 8.485 0.444 1.00 0.00 C ATOM 71 C ALA A 68 -0.459 9.776 -0.175 1.00 0.00 C ATOM 72 O ALA A 68 -0.664 10.866 0.359 1.00 0.00 O ATOM 73 CB ALA A 68 -2.321 8.110 -0.172 1.00 0.00 C ATOM 0 H ALA A 68 -2.051 8.500 2.246 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.254 7.702 0.228 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.218 8.043 -1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.646 7.147 0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.061 8.871 0.075 1.00 0.00 H new ATOM 79 N LEU A 69 0.210 9.636 -1.314 1.00 0.00 N ATOM 80 CA LEU A 69 0.763 10.774 -2.036 1.00 0.00 C ATOM 81 C LEU A 69 0.169 10.864 -3.441 1.00 0.00 C ATOM 82 O LEU A 69 0.693 11.569 -4.302 1.00 0.00 O ATOM 83 CB LEU A 69 2.284 10.642 -2.132 1.00 0.00 C ATOM 84 CG LEU A 69 3.031 10.796 -0.804 1.00 0.00 C ATOM 85 CD1 LEU A 69 4.530 10.585 -0.989 1.00 0.00 C ATOM 86 CD2 LEU A 69 2.761 12.168 -0.206 1.00 0.00 C ATOM 0 H LEU A 69 0.383 8.735 -1.760 1.00 0.00 H new ATOM 0 HA LEU A 69 0.509 11.682 -1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.523 9.666 -2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.656 11.392 -2.830 1.00 0.00 H new ATOM 0 HG LEU A 69 2.665 10.032 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.035 10.700 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.711 9.582 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.917 11.321 -1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.297 12.265 0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.100 12.939 -0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.692 12.284 -0.029 1.00 0.00 H new ATOM 98 N HIS A 70 -0.919 10.130 -3.670 1.00 0.00 N ATOM 99 CA HIS A 70 -1.572 10.112 -4.974 1.00 0.00 C ATOM 100 C HIS A 70 -2.929 9.419 -4.890 1.00 0.00 C ATOM 101 O HIS A 70 -3.080 8.416 -4.194 1.00 0.00 O ATOM 102 CB HIS A 70 -0.690 9.399 -6.017 1.00 0.00 C ATOM 103 CG HIS A 70 0.501 8.682 -5.445 1.00 0.00 C ATOM 104 ND1 HIS A 70 1.702 8.572 -6.112 1.00 0.00 N ATOM 105 CD2 HIS A 70 0.675 8.043 -4.261 1.00 0.00 C ATOM 106 CE1 HIS A 70 2.560 7.901 -5.365 1.00 0.00 C ATOM 107 NE2 HIS A 70 1.963 7.569 -4.237 1.00 0.00 N ATOM 0 H HIS A 70 -1.366 9.540 -2.968 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.722 11.146 -5.285 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.303 8.681 -6.561 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.341 10.134 -6.742 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.898 8.950 -7.039 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.063 7.928 -3.481 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.579 7.664 -5.633 1.00 0.00 H new ATOM 116 N SER A 71 -3.913 9.953 -5.610 1.00 0.00 N ATOM 117 CA SER A 71 -5.252 9.372 -5.616 1.00 0.00 C ATOM 118 C SER A 71 -5.198 7.922 -6.084 1.00 0.00 C ATOM 119 O SER A 71 -4.674 7.628 -7.158 1.00 0.00 O ATOM 120 CB SER A 71 -6.182 10.177 -6.524 1.00 0.00 C ATOM 121 OG SER A 71 -5.732 11.514 -6.661 1.00 0.00 O ATOM 0 H SER A 71 -3.809 10.783 -6.194 1.00 0.00 H new ATOM 0 HA SER A 71 -5.643 9.402 -4.599 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.234 9.706 -7.505 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.192 10.170 -6.113 1.00 0.00 H new ATOM 0 HG SER A 71 -6.343 12.006 -7.248 1.00 0.00 H new ATOM 127 N TYR A 72 -5.723 7.018 -5.266 1.00 0.00 N ATOM 128 CA TYR A 72 -5.708 5.596 -5.604 1.00 0.00 C ATOM 129 C TYR A 72 -7.067 5.088 -6.074 1.00 0.00 C ATOM 130 O TYR A 72 -8.115 5.526 -5.598 1.00 0.00 O ATOM 131 CB TYR A 72 -5.255 4.758 -4.410 1.00 0.00 C ATOM 132 CG TYR A 72 -4.995 3.310 -4.763 1.00 0.00 C ATOM 133 CD1 TYR A 72 -4.191 2.968 -5.843 1.00 0.00 C ATOM 134 CD2 TYR A 72 -5.564 2.285 -4.021 1.00 0.00 C ATOM 135 CE1 TYR A 72 -3.966 1.646 -6.174 1.00 0.00 C ATOM 136 CE2 TYR A 72 -5.338 0.961 -4.342 1.00 0.00 C ATOM 137 CZ TYR A 72 -4.540 0.648 -5.418 1.00 0.00 C ATOM 138 OH TYR A 72 -4.322 -0.668 -5.744 1.00 0.00 O ATOM 0 H TYR A 72 -6.161 7.239 -4.372 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.002 5.490 -6.427 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.346 5.192 -3.993 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.017 4.804 -3.632 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.734 3.749 -6.433 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.194 2.527 -3.178 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.344 1.396 -7.021 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.785 0.175 -3.751 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.373 -0.882 -5.623 1.00 0.00 H new ATOM 148 N GLU A 73 -7.025 4.138 -7.003 1.00 0.00 N ATOM 149 CA GLU A 73 -8.218 3.522 -7.547 1.00 0.00 C ATOM 150 C GLU A 73 -8.020 2.009 -7.659 1.00 0.00 C ATOM 151 O GLU A 73 -7.473 1.513 -8.643 1.00 0.00 O ATOM 152 CB GLU A 73 -8.531 4.113 -8.905 1.00 0.00 C ATOM 153 CG GLU A 73 -9.848 4.861 -8.947 1.00 0.00 C ATOM 154 CD GLU A 73 -10.000 5.708 -10.196 1.00 0.00 C ATOM 155 OE1 GLU A 73 -8.967 6.084 -10.788 1.00 0.00 O ATOM 156 OE2 GLU A 73 -11.153 5.994 -10.581 1.00 0.00 O ATOM 0 H GLU A 73 -6.157 3.776 -7.397 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.057 3.717 -6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.727 4.791 -9.192 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.552 3.313 -9.645 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.669 4.146 -8.896 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.926 5.500 -8.068 1.00 0.00 H new ATOM 163 N PRO A 74 -8.460 1.268 -6.633 1.00 0.00 N ATOM 164 CA PRO A 74 -8.347 -0.185 -6.559 1.00 0.00 C ATOM 165 C PRO A 74 -8.530 -0.876 -7.907 1.00 0.00 C ATOM 166 O PRO A 74 -9.470 -0.585 -8.648 1.00 0.00 O ATOM 167 CB PRO A 74 -9.472 -0.580 -5.588 1.00 0.00 C ATOM 168 CG PRO A 74 -10.078 0.703 -5.100 1.00 0.00 C ATOM 169 CD PRO A 74 -9.105 1.794 -5.444 1.00 0.00 C ATOM 0 HA PRO A 74 -7.352 -0.491 -6.235 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.219 -1.197 -6.088 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.080 -1.166 -4.756 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.043 0.881 -5.574 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.253 0.665 -4.025 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.608 2.741 -5.639 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.392 1.972 -4.639 1.00 0.00 H new ATOM 177 N SER A 75 -7.620 -1.796 -8.213 1.00 0.00 N ATOM 178 CA SER A 75 -7.667 -2.541 -9.465 1.00 0.00 C ATOM 179 C SER A 75 -7.527 -4.040 -9.208 1.00 0.00 C ATOM 180 O SER A 75 -8.250 -4.849 -9.789 1.00 0.00 O ATOM 181 CB SER A 75 -6.559 -2.068 -10.407 1.00 0.00 C ATOM 182 OG SER A 75 -6.906 -2.302 -11.761 1.00 0.00 O ATOM 0 H SER A 75 -6.838 -2.044 -7.607 1.00 0.00 H new ATOM 0 HA SER A 75 -8.634 -2.357 -9.934 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.377 -1.004 -10.254 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.630 -2.588 -10.171 1.00 0.00 H new ATOM 0 HG SER A 75 -6.182 -1.989 -12.343 1.00 0.00 H new ATOM 188 N HIS A 76 -6.595 -4.402 -8.330 1.00 0.00 N ATOM 189 CA HIS A 76 -6.364 -5.803 -7.995 1.00 0.00 C ATOM 190 C HIS A 76 -7.401 -6.296 -6.990 1.00 0.00 C ATOM 191 O HIS A 76 -7.895 -5.527 -6.165 1.00 0.00 O ATOM 192 CB HIS A 76 -4.954 -5.993 -7.429 1.00 0.00 C ATOM 193 CG HIS A 76 -3.930 -6.322 -8.471 1.00 0.00 C ATOM 194 ND1 HIS A 76 -3.017 -5.404 -8.944 1.00 0.00 N ATOM 195 CD2 HIS A 76 -3.678 -7.477 -9.132 1.00 0.00 C ATOM 196 CE1 HIS A 76 -2.248 -5.978 -9.852 1.00 0.00 C ATOM 197 NE2 HIS A 76 -2.628 -7.236 -9.983 1.00 0.00 N ATOM 0 H HIS A 76 -5.989 -3.745 -7.839 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.459 -6.390 -8.909 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.654 -5.082 -6.911 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -4.974 -6.791 -6.686 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -2.946 -4.433 -8.640 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -4.204 -8.412 -9.012 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -1.446 -5.500 -10.394 1.00 0.00 H new ATOM 206 N ASP A 77 -7.730 -7.581 -7.067 1.00 0.00 N ATOM 207 CA ASP A 77 -8.710 -8.175 -6.166 1.00 0.00 C ATOM 208 C ASP A 77 -8.268 -8.043 -4.712 1.00 0.00 C ATOM 209 O ASP A 77 -7.139 -8.387 -4.362 1.00 0.00 O ATOM 210 CB ASP A 77 -8.925 -9.649 -6.514 1.00 0.00 C ATOM 211 CG ASP A 77 -9.757 -9.832 -7.767 1.00 0.00 C ATOM 212 OD1 ASP A 77 -9.315 -9.383 -8.845 1.00 0.00 O ATOM 213 OD2 ASP A 77 -10.852 -10.426 -7.671 1.00 0.00 O ATOM 0 H ASP A 77 -7.332 -8.231 -7.745 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.650 -7.638 -6.289 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.957 -10.132 -6.650 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.416 -10.149 -5.679 1.00 0.00 H new ATOM 218 N GLY A 78 -9.167 -7.545 -3.868 1.00 0.00 N ATOM 219 CA GLY A 78 -8.852 -7.379 -2.461 1.00 0.00 C ATOM 220 C GLY A 78 -8.034 -6.133 -2.190 1.00 0.00 C ATOM 221 O GLY A 78 -7.260 -6.090 -1.235 1.00 0.00 O ATOM 0 H GLY A 78 -10.108 -7.254 -4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.778 -7.333 -1.888 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.303 -8.253 -2.110 1.00 0.00 H new ATOM 225 N ASP A 79 -8.205 -5.115 -3.028 1.00 0.00 N ATOM 226 CA ASP A 79 -7.472 -3.867 -2.867 1.00 0.00 C ATOM 227 C ASP A 79 -8.309 -2.832 -2.126 1.00 0.00 C ATOM 228 O ASP A 79 -9.537 -2.915 -2.093 1.00 0.00 O ATOM 229 CB ASP A 79 -7.052 -3.310 -4.227 1.00 0.00 C ATOM 230 CG ASP A 79 -5.939 -4.115 -4.865 1.00 0.00 C ATOM 231 OD1 ASP A 79 -5.912 -5.349 -4.676 1.00 0.00 O ATOM 232 OD2 ASP A 79 -5.092 -3.508 -5.554 1.00 0.00 O ATOM 0 H ASP A 79 -8.844 -5.131 -3.823 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.580 -4.081 -2.278 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.915 -3.298 -4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.726 -2.277 -4.108 1.00 0.00 H new ATOM 237 N LEU A 80 -7.632 -1.854 -1.540 1.00 0.00 N ATOM 238 CA LEU A 80 -8.295 -0.790 -0.803 1.00 0.00 C ATOM 239 C LEU A 80 -8.045 0.549 -1.490 1.00 0.00 C ATOM 240 O LEU A 80 -6.912 0.870 -1.850 1.00 0.00 O ATOM 241 CB LEU A 80 -7.797 -0.768 0.652 1.00 0.00 C ATOM 242 CG LEU A 80 -7.718 0.609 1.319 1.00 0.00 C ATOM 243 CD1 LEU A 80 -9.099 1.069 1.763 1.00 0.00 C ATOM 244 CD2 LEU A 80 -6.756 0.572 2.498 1.00 0.00 C ATOM 0 H LEU A 80 -6.615 -1.777 -1.562 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.370 -0.973 -0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.454 -1.401 1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.806 -1.221 0.682 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.340 1.326 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.022 2.049 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.757 1.134 0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.509 0.354 2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.711 1.557 2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.105 -0.157 3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.763 0.289 2.149 1.00 0.00 H new ATOM 256 N GLY A 81 -9.107 1.326 -1.673 1.00 0.00 N ATOM 257 CA GLY A 81 -8.968 2.615 -2.323 1.00 0.00 C ATOM 258 C GLY A 81 -8.863 3.756 -1.336 1.00 0.00 C ATOM 259 O GLY A 81 -9.534 3.763 -0.303 1.00 0.00 O ATOM 0 H GLY A 81 -10.056 1.088 -1.385 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.081 2.605 -2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.824 2.782 -2.976 1.00 0.00 H new ATOM 263 N PHE A 82 -8.020 4.726 -1.661 1.00 0.00 N ATOM 264 CA PHE A 82 -7.820 5.887 -0.808 1.00 0.00 C ATOM 265 C PHE A 82 -7.579 7.129 -1.649 1.00 0.00 C ATOM 266 O PHE A 82 -7.519 7.059 -2.876 1.00 0.00 O ATOM 267 CB PHE A 82 -6.640 5.671 0.143 1.00 0.00 C ATOM 268 CG PHE A 82 -5.502 4.886 -0.455 1.00 0.00 C ATOM 269 CD1 PHE A 82 -5.654 3.544 -0.760 1.00 0.00 C ATOM 270 CD2 PHE A 82 -4.282 5.493 -0.711 1.00 0.00 C ATOM 271 CE1 PHE A 82 -4.611 2.823 -1.307 1.00 0.00 C ATOM 272 CE2 PHE A 82 -3.234 4.773 -1.259 1.00 0.00 C ATOM 273 CZ PHE A 82 -3.401 3.436 -1.556 1.00 0.00 C ATOM 0 H PHE A 82 -7.461 4.731 -2.514 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.724 6.026 -0.216 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.266 6.642 0.467 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.996 5.153 1.034 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.598 3.056 -0.568 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.148 6.539 -0.480 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.743 1.777 -1.540 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.288 5.257 -1.453 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.586 2.871 -1.983 1.00 0.00 H new ATOM 283 N GLU A 83 -7.448 8.266 -0.983 1.00 0.00 N ATOM 284 CA GLU A 83 -7.220 9.522 -1.672 1.00 0.00 C ATOM 285 C GLU A 83 -5.798 10.020 -1.446 1.00 0.00 C ATOM 286 O GLU A 83 -5.068 9.487 -0.611 1.00 0.00 O ATOM 287 CB GLU A 83 -8.222 10.563 -1.179 1.00 0.00 C ATOM 288 CG GLU A 83 -9.323 10.865 -2.180 1.00 0.00 C ATOM 289 CD GLU A 83 -9.563 12.352 -2.355 1.00 0.00 C ATOM 290 OE1 GLU A 83 -10.015 12.998 -1.386 1.00 0.00 O ATOM 291 OE2 GLU A 83 -9.301 12.869 -3.461 1.00 0.00 O ATOM 0 H GLU A 83 -7.496 8.342 0.033 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.355 9.361 -2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.672 10.211 -0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.690 11.486 -0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.062 10.427 -3.144 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.247 10.388 -1.853 1.00 0.00 H new ATOM 298 N LYS A 84 -5.411 11.055 -2.181 1.00 0.00 N ATOM 299 CA LYS A 84 -4.083 11.628 -2.029 1.00 0.00 C ATOM 300 C LYS A 84 -4.000 12.332 -0.681 1.00 0.00 C ATOM 301 O LYS A 84 -4.854 13.152 -0.343 1.00 0.00 O ATOM 302 CB LYS A 84 -3.779 12.588 -3.183 1.00 0.00 C ATOM 303 CG LYS A 84 -2.672 13.590 -2.883 1.00 0.00 C ATOM 304 CD LYS A 84 -2.800 14.835 -3.742 1.00 0.00 C ATOM 305 CE LYS A 84 -2.345 14.578 -5.170 1.00 0.00 C ATOM 306 NZ LYS A 84 -2.262 15.837 -5.961 1.00 0.00 N ATOM 0 H LYS A 84 -5.994 11.511 -2.883 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.333 10.838 -2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.500 12.006 -4.061 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.688 13.133 -3.437 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.708 13.868 -1.830 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.702 13.125 -3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.837 15.171 -3.745 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.205 15.639 -3.309 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.370 14.092 -5.158 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.038 13.890 -5.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.948 15.619 -6.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.198 16.289 -5.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.581 16.484 -5.514 1.00 0.00 H new ATOM 320 N GLY A 85 -2.993 11.975 0.103 1.00 0.00 N ATOM 321 CA GLY A 85 -2.845 12.549 1.426 1.00 0.00 C ATOM 322 C GLY A 85 -3.642 11.774 2.455 1.00 0.00 C ATOM 323 O GLY A 85 -3.412 11.905 3.657 1.00 0.00 O ATOM 0 H GLY A 85 -2.275 11.297 -0.153 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.792 12.554 1.707 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.176 13.587 1.413 1.00 0.00 H new ATOM 327 N GLU A 86 -4.571 10.942 1.978 1.00 0.00 N ATOM 328 CA GLU A 86 -5.389 10.121 2.853 1.00 0.00 C ATOM 329 C GLU A 86 -4.502 9.322 3.787 1.00 0.00 C ATOM 330 O GLU A 86 -3.296 9.218 3.571 1.00 0.00 O ATOM 331 CB GLU A 86 -6.245 9.164 2.019 1.00 0.00 C ATOM 332 CG GLU A 86 -7.644 8.889 2.553 1.00 0.00 C ATOM 333 CD GLU A 86 -8.034 9.736 3.752 1.00 0.00 C ATOM 334 OE1 GLU A 86 -8.366 10.925 3.557 1.00 0.00 O ATOM 335 OE2 GLU A 86 -8.008 9.210 4.885 1.00 0.00 O ATOM 0 H GLU A 86 -4.771 10.824 0.985 1.00 0.00 H new ATOM 0 HA GLU A 86 -6.040 10.769 3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.335 9.571 1.012 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.716 8.215 1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.365 9.059 1.753 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.715 7.837 2.828 1.00 0.00 H new ATOM 342 N GLN A 87 -5.099 8.752 4.815 1.00 0.00 N ATOM 343 CA GLN A 87 -4.346 7.961 5.771 1.00 0.00 C ATOM 344 C GLN A 87 -4.909 6.559 5.880 1.00 0.00 C ATOM 345 O GLN A 87 -6.116 6.340 5.771 1.00 0.00 O ATOM 346 CB GLN A 87 -4.331 8.627 7.142 1.00 0.00 C ATOM 347 CG GLN A 87 -4.103 10.126 7.081 1.00 0.00 C ATOM 348 CD GLN A 87 -4.956 10.890 8.073 1.00 0.00 C ATOM 349 OE1 GLN A 87 -5.812 11.688 7.689 1.00 0.00 O ATOM 350 NE2 GLN A 87 -4.727 10.651 9.359 1.00 0.00 N ATOM 0 H GLN A 87 -6.098 8.820 5.010 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.321 7.895 5.407 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.279 8.431 7.643 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.549 8.172 7.750 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.051 10.337 7.275 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.319 10.481 6.073 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.008 9.982 9.633 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.270 11.137 10.073 1.00 0.00 H new ATOM 359 N LEU A 88 -4.013 5.618 6.099 1.00 0.00 N ATOM 360 CA LEU A 88 -4.375 4.217 6.234 1.00 0.00 C ATOM 361 C LEU A 88 -3.475 3.539 7.239 1.00 0.00 C ATOM 362 O LEU A 88 -2.250 3.597 7.134 1.00 0.00 O ATOM 363 CB LEU A 88 -4.266 3.475 4.901 1.00 0.00 C ATOM 364 CG LEU A 88 -4.482 4.318 3.647 1.00 0.00 C ATOM 365 CD1 LEU A 88 -3.393 4.027 2.628 1.00 0.00 C ATOM 366 CD2 LEU A 88 -5.858 4.041 3.066 1.00 0.00 C ATOM 0 H LEU A 88 -3.013 5.800 6.189 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.411 4.183 6.572 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.278 3.018 4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.993 2.663 4.899 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.428 5.374 3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.557 4.634 1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.420 4.267 3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.420 2.971 2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.004 4.647 2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.938 2.985 2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.621 4.292 3.803 1.00 0.00 H new ATOM 378 N ARG A 89 -4.085 2.880 8.198 1.00 0.00 N ATOM 379 CA ARG A 89 -3.346 2.174 9.207 1.00 0.00 C ATOM 380 C ARG A 89 -2.881 0.840 8.641 1.00 0.00 C ATOM 381 O ARG A 89 -3.664 -0.095 8.487 1.00 0.00 O ATOM 382 CB ARG A 89 -4.211 1.981 10.442 1.00 0.00 C ATOM 383 CG ARG A 89 -3.635 0.986 11.409 1.00 0.00 C ATOM 384 CD ARG A 89 -4.454 0.917 12.679 1.00 0.00 C ATOM 385 NE ARG A 89 -3.700 0.331 13.782 1.00 0.00 N ATOM 386 CZ ARG A 89 -4.258 -0.297 14.816 1.00 0.00 C ATOM 387 NH1 ARG A 89 -5.577 -0.415 14.901 1.00 0.00 N ATOM 388 NH2 ARG A 89 -3.492 -0.804 15.773 1.00 0.00 N ATOM 0 H ARG A 89 -5.099 2.821 8.296 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.469 2.751 9.502 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.335 2.940 10.946 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.204 1.650 10.136 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.599 0.001 10.943 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.609 1.262 11.650 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.781 1.920 12.955 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.353 0.327 12.500 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.683 0.407 13.760 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.172 -0.023 14.171 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.996 -0.897 15.696 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.478 -0.713 15.716 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.917 -1.285 16.565 1.00 0.00 H new ATOM 402 N ILE A 90 -1.605 0.782 8.302 1.00 0.00 N ATOM 403 CA ILE A 90 -1.020 -0.409 7.711 1.00 0.00 C ATOM 404 C ILE A 90 -1.175 -1.627 8.606 1.00 0.00 C ATOM 405 O ILE A 90 -0.554 -1.729 9.665 1.00 0.00 O ATOM 406 CB ILE A 90 0.473 -0.201 7.374 1.00 0.00 C ATOM 407 CG1 ILE A 90 0.664 1.103 6.599 1.00 0.00 C ATOM 408 CG2 ILE A 90 1.009 -1.369 6.568 1.00 0.00 C ATOM 409 CD1 ILE A 90 0.021 1.099 5.227 1.00 0.00 C ATOM 0 H ILE A 90 -0.949 1.553 8.427 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.569 -0.591 6.787 1.00 0.00 H new ATOM 0 HB ILE A 90 1.030 -0.142 8.309 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.249 1.925 7.182 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.731 1.297 6.489 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.062 -1.202 6.341 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.903 -2.288 7.145 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.447 -1.457 5.638 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.199 2.057 4.739 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.453 0.299 4.625 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.052 0.938 5.329 1.00 0.00 H new ATOM 421 N LEU A 91 -1.998 -2.558 8.147 1.00 0.00 N ATOM 422 CA LEU A 91 -2.243 -3.799 8.860 1.00 0.00 C ATOM 423 C LEU A 91 -1.085 -4.742 8.599 1.00 0.00 C ATOM 424 O LEU A 91 -0.517 -5.338 9.515 1.00 0.00 O ATOM 425 CB LEU A 91 -3.552 -4.413 8.368 1.00 0.00 C ATOM 426 CG LEU A 91 -4.707 -3.416 8.237 1.00 0.00 C ATOM 427 CD1 LEU A 91 -5.947 -4.077 7.658 1.00 0.00 C ATOM 428 CD2 LEU A 91 -5.017 -2.774 9.584 1.00 0.00 C ATOM 0 H LEU A 91 -2.513 -2.473 7.271 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.325 -3.615 9.931 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.379 -4.880 7.398 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.848 -5.206 9.055 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.395 -2.634 7.545 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.748 -3.342 7.578 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.719 -4.474 6.669 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.265 -4.890 8.311 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.840 -2.069 9.470 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.298 -3.547 10.299 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.135 -2.246 9.947 1.00 0.00 H new ATOM 440 N GLU A 92 -0.724 -4.832 7.329 1.00 0.00 N ATOM 441 CA GLU A 92 0.389 -5.652 6.890 1.00 0.00 C ATOM 442 C GLU A 92 1.117 -4.950 5.755 1.00 0.00 C ATOM 443 O GLU A 92 0.537 -4.111 5.067 1.00 0.00 O ATOM 444 CB GLU A 92 -0.087 -7.035 6.455 1.00 0.00 C ATOM 445 CG GLU A 92 0.441 -8.140 7.349 1.00 0.00 C ATOM 446 CD GLU A 92 -0.661 -8.873 8.090 1.00 0.00 C ATOM 447 OE1 GLU A 92 -1.776 -8.981 7.540 1.00 0.00 O ATOM 448 OE2 GLU A 92 -0.408 -9.339 9.222 1.00 0.00 O ATOM 0 H GLU A 92 -1.197 -4.336 6.573 1.00 0.00 H new ATOM 0 HA GLU A 92 1.076 -5.790 7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.177 -7.058 6.459 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.232 -7.219 5.429 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.003 -8.853 6.745 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.138 -7.715 8.071 1.00 0.00 H new ATOM 455 N GLN A 93 2.392 -5.260 5.577 1.00 0.00 N ATOM 456 CA GLN A 93 3.176 -4.616 4.537 1.00 0.00 C ATOM 457 C GLN A 93 4.110 -5.595 3.844 1.00 0.00 C ATOM 458 O GLN A 93 5.229 -5.245 3.468 1.00 0.00 O ATOM 459 CB GLN A 93 3.968 -3.458 5.133 1.00 0.00 C ATOM 460 CG GLN A 93 4.267 -3.649 6.592 1.00 0.00 C ATOM 461 CD GLN A 93 4.977 -2.463 7.215 1.00 0.00 C ATOM 462 OE1 GLN A 93 4.391 -1.395 7.387 1.00 0.00 O ATOM 463 NE2 GLN A 93 6.247 -2.645 7.555 1.00 0.00 N ATOM 0 H GLN A 93 2.901 -5.947 6.134 1.00 0.00 H new ATOM 0 HA GLN A 93 2.487 -4.236 3.782 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.904 -3.345 4.587 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.407 -2.533 5.000 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.335 -3.828 7.127 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.883 -4.540 6.717 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.694 -3.548 7.394 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.776 -1.882 7.977 1.00 0.00 H new ATOM 472 N SER A 94 3.640 -6.821 3.665 1.00 0.00 N ATOM 473 CA SER A 94 4.430 -7.842 3.001 1.00 0.00 C ATOM 474 C SER A 94 4.257 -7.744 1.491 1.00 0.00 C ATOM 475 O SER A 94 3.137 -7.663 0.988 1.00 0.00 O ATOM 476 CB SER A 94 4.026 -9.231 3.497 1.00 0.00 C ATOM 477 OG SER A 94 3.740 -10.111 2.422 1.00 0.00 O ATOM 0 H SER A 94 2.717 -7.130 3.970 1.00 0.00 H new ATOM 0 HA SER A 94 5.481 -7.682 3.240 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.829 -9.648 4.104 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.150 -9.147 4.141 1.00 0.00 H new ATOM 0 HG SER A 94 3.487 -10.989 2.776 1.00 0.00 H new ATOM 483 N GLY A 95 5.372 -7.750 0.777 1.00 0.00 N ATOM 484 CA GLY A 95 5.319 -7.659 -0.668 1.00 0.00 C ATOM 485 C GLY A 95 4.997 -6.271 -1.160 1.00 0.00 C ATOM 486 O GLY A 95 4.567 -5.406 -0.397 1.00 0.00 O ATOM 0 H GLY A 95 6.311 -7.816 1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.278 -7.972 -1.081 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.568 -8.355 -1.043 1.00 0.00 H new ATOM 490 N GLU A 96 5.204 -6.073 -2.452 1.00 0.00 N ATOM 491 CA GLU A 96 4.942 -4.800 -3.101 1.00 0.00 C ATOM 492 C GLU A 96 3.560 -4.248 -2.728 1.00 0.00 C ATOM 493 O GLU A 96 3.303 -3.056 -2.874 1.00 0.00 O ATOM 494 CB GLU A 96 5.061 -4.981 -4.609 1.00 0.00 C ATOM 495 CG GLU A 96 4.052 -4.181 -5.373 1.00 0.00 C ATOM 496 CD GLU A 96 4.271 -4.220 -6.873 1.00 0.00 C ATOM 497 OE1 GLU A 96 3.785 -5.172 -7.520 1.00 0.00 O ATOM 498 OE2 GLU A 96 4.927 -3.298 -7.401 1.00 0.00 O ATOM 0 H GLU A 96 5.559 -6.793 -3.081 1.00 0.00 H new ATOM 0 HA GLU A 96 5.677 -4.073 -2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.063 -4.692 -4.927 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.941 -6.036 -4.854 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.054 -4.557 -5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.086 -3.146 -5.034 1.00 0.00 H new ATOM 505 N TRP A 97 2.670 -5.116 -2.262 1.00 0.00 N ATOM 506 CA TRP A 97 1.329 -4.693 -1.883 1.00 0.00 C ATOM 507 C TRP A 97 1.140 -4.764 -0.370 1.00 0.00 C ATOM 508 O TRP A 97 1.215 -5.839 0.226 1.00 0.00 O ATOM 509 CB TRP A 97 0.293 -5.559 -2.593 1.00 0.00 C ATOM 510 CG TRP A 97 0.111 -5.179 -4.029 1.00 0.00 C ATOM 511 CD1 TRP A 97 0.837 -5.627 -5.094 1.00 0.00 C ATOM 512 CD2 TRP A 97 -0.848 -4.258 -4.555 1.00 0.00 C ATOM 513 NE1 TRP A 97 0.390 -5.036 -6.251 1.00 0.00 N ATOM 514 CE2 TRP A 97 -0.645 -4.191 -5.945 1.00 0.00 C ATOM 515 CE3 TRP A 97 -1.860 -3.482 -3.984 1.00 0.00 C ATOM 516 CZ2 TRP A 97 -1.415 -3.376 -6.771 1.00 0.00 C ATOM 517 CZ3 TRP A 97 -2.622 -2.676 -4.803 1.00 0.00 C ATOM 518 CH2 TRP A 97 -2.396 -2.627 -6.183 1.00 0.00 C ATOM 0 H TRP A 97 2.852 -6.112 -2.138 1.00 0.00 H new ATOM 0 HA TRP A 97 1.194 -3.655 -2.188 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.596 -6.604 -2.533 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.662 -5.474 -2.075 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.645 -6.342 -5.036 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.767 -5.199 -7.185 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -2.042 -3.513 -2.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.244 -3.337 -7.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.407 -2.072 -4.372 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -3.009 -1.984 -6.797 1.00 0.00 H new ATOM 529 N TRP A 98 0.903 -3.608 0.249 1.00 0.00 N ATOM 530 CA TRP A 98 0.715 -3.537 1.693 1.00 0.00 C ATOM 531 C TRP A 98 -0.756 -3.463 2.073 1.00 0.00 C ATOM 532 O TRP A 98 -1.544 -2.769 1.431 1.00 0.00 O ATOM 533 CB TRP A 98 1.438 -2.321 2.266 1.00 0.00 C ATOM 534 CG TRP A 98 2.929 -2.438 2.220 1.00 0.00 C ATOM 535 CD1 TRP A 98 3.656 -3.468 1.704 1.00 0.00 C ATOM 536 CD2 TRP A 98 3.869 -1.491 2.718 1.00 0.00 C ATOM 537 NE1 TRP A 98 4.999 -3.218 1.854 1.00 0.00 N ATOM 538 CE2 TRP A 98 5.154 -2.004 2.473 1.00 0.00 C ATOM 539 CE3 TRP A 98 3.741 -0.255 3.345 1.00 0.00 C ATOM 540 CZ2 TRP A 98 6.310 -1.317 2.838 1.00 0.00 C ATOM 541 CZ3 TRP A 98 4.885 0.430 3.709 1.00 0.00 C ATOM 542 CH2 TRP A 98 6.157 -0.102 3.454 1.00 0.00 C ATOM 0 H TRP A 98 0.837 -2.709 -0.229 1.00 0.00 H new ATOM 0 HA TRP A 98 1.134 -4.452 2.112 1.00 0.00 H new ATOM 0 HB2 TRP A 98 1.134 -1.433 1.712 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.124 -2.175 3.300 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.238 -4.352 1.244 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.755 -3.833 1.555 1.00 0.00 H new ATOM 0 HE3 TRP A 98 2.765 0.162 3.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 7.290 -1.727 2.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.798 1.389 4.197 1.00 0.00 H new ATOM 0 HH2 TRP A 98 7.033 0.456 3.749 1.00 0.00 H new ATOM 553 N LYS A 99 -1.108 -4.164 3.142 1.00 0.00 N ATOM 554 CA LYS A 99 -2.469 -4.165 3.645 1.00 0.00 C ATOM 555 C LYS A 99 -2.660 -2.994 4.600 1.00 0.00 C ATOM 556 O LYS A 99 -2.011 -2.929 5.641 1.00 0.00 O ATOM 557 CB LYS A 99 -2.766 -5.481 4.368 1.00 0.00 C ATOM 558 CG LYS A 99 -4.129 -5.525 5.037 1.00 0.00 C ATOM 559 CD LYS A 99 -5.179 -4.857 4.183 1.00 0.00 C ATOM 560 CE LYS A 99 -6.582 -5.283 4.587 1.00 0.00 C ATOM 561 NZ LYS A 99 -7.302 -5.963 3.474 1.00 0.00 N ATOM 0 H LYS A 99 -0.462 -4.743 3.679 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.158 -4.064 2.806 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.697 -6.300 3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.997 -5.651 5.122 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.413 -6.561 5.222 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.077 -5.030 6.007 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.087 -3.775 4.272 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.010 -5.106 3.135 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.524 -5.954 5.444 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.149 -4.408 4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.241 -5.533 3.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.758 -5.858 2.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.410 -6.973 3.696 1.00 0.00 H new ATOM 575 N ALA A 100 -3.541 -2.068 4.245 1.00 0.00 N ATOM 576 CA ALA A 100 -3.787 -0.906 5.087 1.00 0.00 C ATOM 577 C ALA A 100 -5.247 -0.790 5.469 1.00 0.00 C ATOM 578 O ALA A 100 -6.137 -1.078 4.669 1.00 0.00 O ATOM 579 CB ALA A 100 -3.344 0.371 4.391 1.00 0.00 C ATOM 0 H ALA A 100 -4.093 -2.098 3.388 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.202 -1.043 5.996 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.538 1.225 5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.277 0.316 4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.899 0.489 3.460 1.00 0.00 H new ATOM 585 N GLN A 101 -5.487 -0.324 6.683 1.00 0.00 N ATOM 586 CA GLN A 101 -6.836 -0.119 7.155 1.00 0.00 C ATOM 587 C GLN A 101 -7.092 1.369 7.229 1.00 0.00 C ATOM 588 O GLN A 101 -6.515 2.069 8.060 1.00 0.00 O ATOM 589 CB GLN A 101 -7.058 -0.767 8.521 1.00 0.00 C ATOM 590 CG GLN A 101 -8.393 -0.414 9.137 1.00 0.00 C ATOM 591 CD GLN A 101 -8.456 -0.713 10.621 1.00 0.00 C ATOM 592 OE1 GLN A 101 -8.900 -1.785 11.034 1.00 0.00 O ATOM 593 NE2 GLN A 101 -8.010 0.238 11.434 1.00 0.00 N ATOM 0 H GLN A 101 -4.761 -0.082 7.357 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.533 -0.590 6.462 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -6.987 -1.850 8.418 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.260 -0.458 9.197 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.593 0.645 8.976 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.181 -0.968 8.626 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.650 1.111 11.049 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.027 0.095 12.444 1.00 0.00 H new ATOM 602 N SER A 102 -7.955 1.852 6.356 1.00 0.00 N ATOM 603 CA SER A 102 -8.280 3.258 6.323 1.00 0.00 C ATOM 604 C SER A 102 -8.646 3.736 7.717 1.00 0.00 C ATOM 605 O SER A 102 -8.839 2.929 8.626 1.00 0.00 O ATOM 606 CB SER A 102 -9.420 3.482 5.344 1.00 0.00 C ATOM 607 OG SER A 102 -8.985 4.198 4.201 1.00 0.00 O ATOM 0 H SER A 102 -8.443 1.287 5.660 1.00 0.00 H new ATOM 0 HA SER A 102 -7.417 3.834 5.989 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.833 2.521 5.038 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.222 4.032 5.836 1.00 0.00 H new ATOM 0 HG SER A 102 -9.739 4.326 3.588 1.00 0.00 H new ATOM 613 N LEU A 103 -8.712 5.041 7.900 1.00 0.00 N ATOM 614 CA LEU A 103 -9.032 5.587 9.213 1.00 0.00 C ATOM 615 C LEU A 103 -10.228 6.523 9.167 1.00 0.00 C ATOM 616 O LEU A 103 -10.916 6.711 10.171 1.00 0.00 O ATOM 617 CB LEU A 103 -7.811 6.273 9.792 1.00 0.00 C ATOM 618 CG LEU A 103 -6.744 5.291 10.278 1.00 0.00 C ATOM 619 CD1 LEU A 103 -5.696 5.093 9.204 1.00 0.00 C ATOM 620 CD2 LEU A 103 -6.107 5.748 11.579 1.00 0.00 C ATOM 0 H LEU A 103 -8.552 5.737 7.171 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.315 4.761 9.866 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.377 6.927 9.036 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.118 6.907 10.624 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.231 4.337 10.479 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.940 4.392 9.558 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.167 4.695 8.305 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.225 6.049 8.974 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.355 5.023 11.890 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.636 6.720 11.432 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.873 5.830 12.350 1.00 0.00 H new ATOM 632 N THR A 104 -10.494 7.081 8.001 1.00 0.00 N ATOM 633 CA THR A 104 -11.629 7.962 7.831 1.00 0.00 C ATOM 634 C THR A 104 -12.870 7.125 7.572 1.00 0.00 C ATOM 635 O THR A 104 -13.954 7.388 8.095 1.00 0.00 O ATOM 636 CB THR A 104 -11.379 8.902 6.661 1.00 0.00 C ATOM 637 OG1 THR A 104 -10.017 9.286 6.604 1.00 0.00 O ATOM 638 CG2 THR A 104 -12.205 10.151 6.744 1.00 0.00 C ATOM 0 H THR A 104 -9.938 6.938 7.158 1.00 0.00 H new ATOM 0 HA THR A 104 -11.774 8.557 8.733 1.00 0.00 H new ATOM 0 HB THR A 104 -11.660 8.347 5.766 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.651 9.065 5.722 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.989 10.788 5.886 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.263 9.888 6.744 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.964 10.686 7.663 1.00 0.00 H new ATOM 646 N THR A 105 -12.671 6.102 6.759 1.00 0.00 N ATOM 647 CA THR A 105 -13.712 5.160 6.383 1.00 0.00 C ATOM 648 C THR A 105 -13.457 3.825 7.066 1.00 0.00 C ATOM 649 O THR A 105 -14.373 3.102 7.458 1.00 0.00 O ATOM 650 CB THR A 105 -13.672 4.965 4.876 1.00 0.00 C ATOM 651 OG1 THR A 105 -12.846 3.864 4.529 1.00 0.00 O ATOM 652 CG2 THR A 105 -13.153 6.170 4.125 1.00 0.00 C ATOM 0 H THR A 105 -11.766 5.899 6.334 1.00 0.00 H new ATOM 0 HA THR A 105 -14.686 5.543 6.687 1.00 0.00 H new ATOM 0 HB THR A 105 -14.709 4.792 4.587 1.00 0.00 H new ATOM 0 HG1 THR A 105 -12.893 3.712 3.562 1.00 0.00 H new ATOM 0 HG21 THR A 105 -13.152 5.960 3.056 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.795 7.028 4.326 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.137 6.393 4.452 1.00 0.00 H new ATOM 660 N GLY A 106 -12.177 3.533 7.175 1.00 0.00 N ATOM 661 CA GLY A 106 -11.693 2.321 7.775 1.00 0.00 C ATOM 662 C GLY A 106 -11.720 1.138 6.834 1.00 0.00 C ATOM 663 O GLY A 106 -11.288 0.043 7.195 1.00 0.00 O ATOM 0 H GLY A 106 -11.435 4.148 6.840 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.672 2.478 8.122 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.296 2.092 8.653 1.00 0.00 H new ATOM 667 N GLN A 107 -12.208 1.353 5.617 1.00 0.00 N ATOM 668 CA GLN A 107 -12.264 0.304 4.630 1.00 0.00 C ATOM 669 C GLN A 107 -10.929 -0.410 4.513 1.00 0.00 C ATOM 670 O GLN A 107 -9.894 0.210 4.269 1.00 0.00 O ATOM 671 CB GLN A 107 -12.687 0.897 3.306 1.00 0.00 C ATOM 672 CG GLN A 107 -14.188 0.957 3.179 1.00 0.00 C ATOM 673 CD GLN A 107 -14.751 2.346 3.399 1.00 0.00 C ATOM 674 OE1 GLN A 107 -14.396 3.291 2.695 1.00 0.00 O ATOM 675 NE2 GLN A 107 -15.638 2.474 4.379 1.00 0.00 N ATOM 0 H GLN A 107 -12.570 2.252 5.298 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.996 -0.442 4.938 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.273 1.900 3.207 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.276 0.300 2.492 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.476 0.608 2.187 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.635 0.273 3.900 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.902 1.662 4.937 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.055 3.384 4.574 1.00 0.00 H new ATOM 684 N GLU A 108 -10.964 -1.716 4.710 1.00 0.00 N ATOM 685 CA GLU A 108 -9.754 -2.527 4.654 1.00 0.00 C ATOM 686 C GLU A 108 -9.513 -3.079 3.255 1.00 0.00 C ATOM 687 O GLU A 108 -10.452 -3.333 2.501 1.00 0.00 O ATOM 688 CB GLU A 108 -9.836 -3.672 5.662 1.00 0.00 C ATOM 689 CG GLU A 108 -9.797 -3.211 7.106 1.00 0.00 C ATOM 690 CD GLU A 108 -10.967 -3.727 7.919 1.00 0.00 C ATOM 691 OE1 GLU A 108 -10.903 -4.886 8.382 1.00 0.00 O ATOM 692 OE2 GLU A 108 -11.948 -2.974 8.094 1.00 0.00 O ATOM 0 H GLU A 108 -11.816 -2.240 4.910 1.00 0.00 H new ATOM 0 HA GLU A 108 -8.913 -1.883 4.909 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.757 -4.230 5.492 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -9.009 -4.360 5.486 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -8.866 -3.545 7.564 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.793 -2.121 7.135 1.00 0.00 H new ATOM 699 N GLY A 109 -8.240 -3.262 2.921 1.00 0.00 N ATOM 700 CA GLY A 109 -7.876 -3.783 1.618 1.00 0.00 C ATOM 701 C GLY A 109 -6.392 -3.652 1.340 1.00 0.00 C ATOM 702 O GLY A 109 -5.648 -3.099 2.149 1.00 0.00 O ATOM 0 H GLY A 109 -7.451 -3.057 3.534 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.164 -4.832 1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.436 -3.253 0.848 1.00 0.00 H new ATOM 706 N PHE A 110 -5.963 -4.161 0.192 1.00 0.00 N ATOM 707 CA PHE A 110 -4.565 -4.105 -0.199 1.00 0.00 C ATOM 708 C PHE A 110 -4.257 -2.778 -0.884 1.00 0.00 C ATOM 709 O PHE A 110 -5.087 -2.243 -1.616 1.00 0.00 O ATOM 710 CB PHE A 110 -4.248 -5.270 -1.133 1.00 0.00 C ATOM 711 CG PHE A 110 -3.624 -6.446 -0.438 1.00 0.00 C ATOM 712 CD1 PHE A 110 -4.131 -6.901 0.769 1.00 0.00 C ATOM 713 CD2 PHE A 110 -2.534 -7.098 -0.991 1.00 0.00 C ATOM 714 CE1 PHE A 110 -3.561 -7.984 1.412 1.00 0.00 C ATOM 715 CE2 PHE A 110 -1.959 -8.181 -0.353 1.00 0.00 C ATOM 716 CZ PHE A 110 -2.473 -8.625 0.850 1.00 0.00 C ATOM 0 H PHE A 110 -6.570 -4.620 -0.487 1.00 0.00 H new ATOM 0 HA PHE A 110 -3.943 -4.182 0.693 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.167 -5.593 -1.622 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.575 -4.923 -1.917 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -4.981 -6.404 1.212 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.129 -6.756 -1.932 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -3.965 -8.329 2.352 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.109 -8.680 -0.795 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.026 -9.471 1.350 1.00 0.00 H new ATOM 726 N ILE A 111 -3.066 -2.245 -0.639 1.00 0.00 N ATOM 727 CA ILE A 111 -2.674 -0.974 -1.233 1.00 0.00 C ATOM 728 C ILE A 111 -1.230 -0.993 -1.732 1.00 0.00 C ATOM 729 O ILE A 111 -0.343 -1.563 -1.098 1.00 0.00 O ATOM 730 CB ILE A 111 -2.830 0.185 -0.226 1.00 0.00 C ATOM 731 CG1 ILE A 111 -1.875 -0.018 0.951 1.00 0.00 C ATOM 732 CG2 ILE A 111 -4.269 0.288 0.253 1.00 0.00 C ATOM 733 CD1 ILE A 111 -1.387 1.268 1.579 1.00 0.00 C ATOM 0 H ILE A 111 -2.360 -2.670 -0.038 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.339 -0.819 -2.082 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.576 1.122 -0.722 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.376 -0.614 1.713 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.014 -0.593 0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.358 1.111 0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.924 0.470 -0.599 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.558 -0.643 0.740 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.715 1.037 2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.855 1.858 0.833 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.239 1.837 1.952 1.00 0.00 H new ATOM 745 N PRO A 112 -0.985 -0.342 -2.873 1.00 0.00 N ATOM 746 CA PRO A 112 0.341 -0.241 -3.466 1.00 0.00 C ATOM 747 C PRO A 112 1.368 0.253 -2.446 1.00 0.00 C ATOM 748 O PRO A 112 1.305 1.398 -1.996 1.00 0.00 O ATOM 749 CB PRO A 112 0.169 0.780 -4.603 1.00 0.00 C ATOM 750 CG PRO A 112 -1.204 1.348 -4.446 1.00 0.00 C ATOM 751 CD PRO A 112 -1.995 0.359 -3.655 1.00 0.00 C ATOM 0 HA PRO A 112 0.710 -1.205 -3.818 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.924 1.563 -4.541 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.284 0.303 -5.576 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.168 2.310 -3.935 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.664 1.521 -5.419 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -2.727 0.851 -3.015 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.546 -0.323 -4.302 1.00 0.00 H new ATOM 759 N PHE A 113 2.298 -0.619 -2.067 1.00 0.00 N ATOM 760 CA PHE A 113 3.320 -0.275 -1.078 1.00 0.00 C ATOM 761 C PHE A 113 4.017 1.048 -1.405 1.00 0.00 C ATOM 762 O PHE A 113 4.547 1.713 -0.514 1.00 0.00 O ATOM 763 CB PHE A 113 4.351 -1.405 -0.957 1.00 0.00 C ATOM 764 CG PHE A 113 5.409 -1.393 -2.028 1.00 0.00 C ATOM 765 CD1 PHE A 113 5.076 -1.157 -3.353 1.00 0.00 C ATOM 766 CD2 PHE A 113 6.738 -1.616 -1.706 1.00 0.00 C ATOM 767 CE1 PHE A 113 6.048 -1.142 -4.335 1.00 0.00 C ATOM 768 CE2 PHE A 113 7.714 -1.601 -2.684 1.00 0.00 C ATOM 769 CZ PHE A 113 7.369 -1.364 -4.000 1.00 0.00 C ATOM 0 H PHE A 113 2.367 -1.570 -2.429 1.00 0.00 H new ATOM 0 HA PHE A 113 2.814 -0.148 -0.121 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.835 -1.337 0.017 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.830 -2.362 -0.988 1.00 0.00 H new ATOM 0 HD1 PHE A 113 4.044 -0.983 -3.621 1.00 0.00 H new ATOM 0 HD2 PHE A 113 7.014 -1.804 -0.679 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.775 -0.957 -5.363 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.747 -1.775 -2.419 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.131 -1.352 -4.765 1.00 0.00 H new ATOM 779 N ASN A 114 4.020 1.426 -2.679 1.00 0.00 N ATOM 780 CA ASN A 114 4.659 2.665 -3.103 1.00 0.00 C ATOM 781 C ASN A 114 3.626 3.769 -3.306 1.00 0.00 C ATOM 782 O ASN A 114 3.794 4.641 -4.160 1.00 0.00 O ATOM 783 CB ASN A 114 5.442 2.442 -4.397 1.00 0.00 C ATOM 784 CG ASN A 114 4.635 1.694 -5.441 1.00 0.00 C ATOM 785 OD1 ASN A 114 4.059 0.643 -5.161 1.00 0.00 O ATOM 786 ND2 ASN A 114 4.591 2.234 -6.654 1.00 0.00 N ATOM 0 H ASN A 114 3.588 0.893 -3.434 1.00 0.00 H new ATOM 0 HA ASN A 114 5.348 2.976 -2.317 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.750 3.406 -4.802 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.352 1.883 -4.176 1.00 0.00 H new ATOM 0 HD21 ASN A 114 4.064 1.775 -7.398 1.00 0.00 H new ATOM 0 HD22 ASN A 114 5.084 3.107 -6.842 1.00 0.00 H new ATOM 793 N PHE A 115 2.552 3.721 -2.526 1.00 0.00 N ATOM 794 CA PHE A 115 1.487 4.711 -2.631 1.00 0.00 C ATOM 795 C PHE A 115 1.231 5.415 -1.304 1.00 0.00 C ATOM 796 O PHE A 115 0.174 6.022 -1.124 1.00 0.00 O ATOM 797 CB PHE A 115 0.198 4.032 -3.081 1.00 0.00 C ATOM 798 CG PHE A 115 -0.389 4.612 -4.331 1.00 0.00 C ATOM 799 CD1 PHE A 115 0.378 4.763 -5.473 1.00 0.00 C ATOM 800 CD2 PHE A 115 -1.714 5.002 -4.359 1.00 0.00 C ATOM 801 CE1 PHE A 115 -0.171 5.298 -6.623 1.00 0.00 C ATOM 802 CE2 PHE A 115 -2.269 5.535 -5.500 1.00 0.00 C ATOM 803 CZ PHE A 115 -1.498 5.684 -6.636 1.00 0.00 C ATOM 0 H PHE A 115 2.396 3.007 -1.814 1.00 0.00 H new ATOM 0 HA PHE A 115 1.805 5.456 -3.360 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.394 2.972 -3.241 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.537 4.102 -2.279 1.00 0.00 H new ATOM 0 HD1 PHE A 115 1.415 4.460 -5.465 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.322 4.887 -3.474 1.00 0.00 H new ATOM 0 HE1 PHE A 115 0.435 5.414 -7.509 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.306 5.836 -5.507 1.00 0.00 H new ATOM 0 HZ PHE A 115 -1.931 6.101 -7.533 1.00 0.00 H new ATOM 813 N VAL A 116 2.169 5.328 -0.367 1.00 0.00 N ATOM 814 CA VAL A 116 1.969 5.962 0.928 1.00 0.00 C ATOM 815 C VAL A 116 3.276 6.318 1.626 1.00 0.00 C ATOM 816 O VAL A 116 4.298 5.655 1.454 1.00 0.00 O ATOM 817 CB VAL A 116 1.144 5.059 1.861 1.00 0.00 C ATOM 818 CG1 VAL A 116 -0.285 4.944 1.357 1.00 0.00 C ATOM 819 CG2 VAL A 116 1.788 3.684 1.991 1.00 0.00 C ATOM 0 H VAL A 116 3.056 4.836 -0.476 1.00 0.00 H new ATOM 0 HA VAL A 116 1.431 6.887 0.723 1.00 0.00 H new ATOM 0 HB VAL A 116 1.122 5.513 2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -0.857 4.302 2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.741 5.934 1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.284 4.514 0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 116 1.188 3.062 2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.846 3.215 1.009 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.792 3.790 2.402 1.00 0.00 H new ATOM 829 N ALA A 117 3.210 7.372 2.434 1.00 0.00 N ATOM 830 CA ALA A 117 4.352 7.845 3.201 1.00 0.00 C ATOM 831 C ALA A 117 3.896 8.248 4.599 1.00 0.00 C ATOM 832 O ALA A 117 2.818 8.816 4.762 1.00 0.00 O ATOM 833 CB ALA A 117 5.021 9.017 2.496 1.00 0.00 C ATOM 0 H ALA A 117 2.362 7.921 2.574 1.00 0.00 H new ATOM 0 HA ALA A 117 5.083 7.041 3.284 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.873 9.357 3.085 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.364 8.701 1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.306 9.833 2.388 1.00 0.00 H new ATOM 839 N LYS A 118 4.708 7.937 5.605 1.00 0.00 N ATOM 840 CA LYS A 118 4.374 8.252 6.995 1.00 0.00 C ATOM 841 C LYS A 118 3.712 9.620 7.127 1.00 0.00 C ATOM 842 O LYS A 118 4.119 10.583 6.478 1.00 0.00 O ATOM 843 CB LYS A 118 5.635 8.207 7.861 1.00 0.00 C ATOM 844 CG LYS A 118 6.272 6.830 7.939 1.00 0.00 C ATOM 845 CD LYS A 118 5.238 5.760 8.243 1.00 0.00 C ATOM 846 CE LYS A 118 5.872 4.385 8.362 1.00 0.00 C ATOM 847 NZ LYS A 118 6.851 4.318 9.482 1.00 0.00 N ATOM 0 H LYS A 118 5.605 7.466 5.486 1.00 0.00 H new ATOM 0 HA LYS A 118 3.662 7.501 7.337 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.364 8.913 7.463 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.386 8.540 8.868 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.767 6.602 6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.041 6.826 8.712 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.723 6.005 9.172 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.485 5.747 7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.093 3.638 8.516 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.373 4.134 7.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 7.082 3.324 9.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 7.718 4.828 9.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 6.438 4.755 10.331 1.00 0.00 H new ATOM 861 N ALA A 119 2.686 9.697 7.976 1.00 0.00 N ATOM 862 CA ALA A 119 1.966 10.952 8.203 1.00 0.00 C ATOM 863 C ALA A 119 2.840 11.959 8.947 1.00 0.00 C ATOM 864 O ALA A 119 2.451 12.483 9.992 1.00 0.00 O ATOM 865 CB ALA A 119 0.675 10.708 8.983 1.00 0.00 C ATOM 0 H ALA A 119 2.335 8.907 8.517 1.00 0.00 H new ATOM 0 HA ALA A 119 1.712 11.366 7.227 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.159 11.656 9.138 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.031 10.033 8.419 1.00 0.00 H new ATOM 0 HB3 ALA A 119 0.912 10.261 9.949 1.00 0.00 H new ATOM 871 N ASN A 120 4.022 12.227 8.404 1.00 0.00 N ATOM 872 CA ASN A 120 4.948 13.172 9.018 1.00 0.00 C ATOM 873 C ASN A 120 5.962 13.682 7.997 1.00 0.00 C ATOM 874 O ASN A 120 5.910 14.884 7.663 1.00 0.00 O ATOM 875 CB ASN A 120 5.675 12.513 10.193 1.00 0.00 C ATOM 876 CG ASN A 120 5.822 13.447 11.378 1.00 0.00 C ATOM 877 OD1 ASN A 120 6.113 14.633 11.217 1.00 0.00 O ATOM 878 ND2 ASN A 120 5.622 12.915 12.578 1.00 0.00 N ATOM 879 OXT ASN A 120 6.799 12.874 7.542 1.00 0.00 O ATOM 0 H ASN A 120 4.362 11.804 7.540 1.00 0.00 H new ATOM 0 HA ASN A 120 4.372 14.022 9.386 1.00 0.00 H new ATOM 0 HB2 ASN A 120 5.128 11.622 10.502 1.00 0.00 H new ATOM 0 HB3 ASN A 120 6.662 12.184 9.868 1.00 0.00 H new ATOM 0 HD21 ASN A 120 5.708 13.494 13.413 1.00 0.00 H new ATOM 0 HD22 ASN A 120 5.383 11.927 12.665 1.00 0.00 H new TER 886 ASN A 120