USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 747 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 75 SER OG : rot 178:sc= 0.979 USER MOD Set 1.2: A 77 LYS NZ :NH3+ -154:sc= 0.668 (180deg=-0.0832) USER MOD Set 2.1: A 29 ASN : amide:sc= 0.518 K(o=0.54,f=-5.7!) USER MOD Set 2.2: A 66 ASN : amide:sc= 0.0176 K(o=0.54,f=-3.6!) USER MOD Set 3.1: A 13 SER OG : rot -84:sc= 2.12 USER MOD Set 3.2: A 24 LYS NZ :NH3+ -132:sc= 0.864 (180deg=-0.261) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 156:sc= 0.603 USER MOD Single : A 10 GLN : amide:sc= -1.41! K(o=-1.4!,f=-0.027) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -2.04 K(o=-2,f=-0.54) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -1.36 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -131:sc= 0.681 (180deg=-1.17) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -110:sc= 0.0405 (180deg=-1.21) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -150:sc= -1.66 USER MOD Single : A 40 TYR OH : rot 0:sc= -1.1 USER MOD Single : A 44 SER OG : rot -38:sc= 0.0458 USER MOD Single : A 46 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.27) USER MOD Single : A 48 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.76) USER MOD Single : A 49 ASN : amide:sc= -0.369 K(o=-0.37,f=-1) USER MOD Single : A 50 ASN : amide:sc= -0.505 K(o=-0.51,f=-3.7!) USER MOD Single : A 52 ASN : amide:sc= -0.19 K(o=-0.19,f=-0.89) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.064 USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0692 USER MOD Single : A 69 TYR OH : rot 16:sc= 1.09 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.354 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -157:sc= 1.09 (180deg=0.529) USER MOD Single : A 83 TYR OH : rot -97:sc= 0.207 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 90:sc= -2.2! USER MOD Single : A 89 SER OG : rot -48:sc= 0.145 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0588 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -2.2! C(o=-2.2!,f=-8.5!) USER MOD Single : A 97 ASN : amide:sc= -1.77! C(o=-1.8!,f=-14!) USER MOD Single : A 98 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.45 X(o=-0.45,f=-0.78) USER MOD Single : A 102 TYR OH : rot -134:sc= 1.23 USER MOD Single : A 103 GLN : amide:sc= 0.759 K(o=0.76,f=-0.59) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N PRO A 4 -3.187 12.246 9.157 1.00 0.00 N ATOM 44 CA PRO A 4 -2.062 11.352 9.471 1.00 0.00 C ATOM 45 C PRO A 4 -2.188 10.706 10.845 1.00 0.00 C ATOM 46 O PRO A 4 -2.518 11.371 11.830 1.00 0.00 O ATOM 47 CB PRO A 4 -0.849 12.277 9.438 1.00 0.00 C ATOM 48 CG PRO A 4 -1.233 13.366 8.502 1.00 0.00 C ATOM 49 CD PRO A 4 -2.713 13.563 8.680 1.00 0.00 C ATOM 0 HA PRO A 4 -2.007 10.520 8.769 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -0.622 12.668 10.430 1.00 0.00 H new ATOM 0 HB3 PRO A 4 0.041 11.752 9.091 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -0.688 14.283 8.726 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -0.996 13.097 7.473 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -2.928 14.351 9.401 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -3.195 13.847 7.744 1.00 0.00 H new ATOM 57 N SER A 5 -1.921 9.411 10.906 1.00 0.00 N ATOM 58 CA SER A 5 -2.075 8.663 12.141 1.00 0.00 C ATOM 59 C SER A 5 -1.128 7.468 12.158 1.00 0.00 C ATOM 60 O SER A 5 -0.229 7.400 12.993 1.00 0.00 O ATOM 61 CB SER A 5 -3.531 8.209 12.296 1.00 0.00 C ATOM 62 OG SER A 5 -3.799 7.753 13.615 1.00 0.00 O ATOM 0 H SER A 5 -1.596 8.857 10.114 1.00 0.00 H new ATOM 0 HA SER A 5 -1.821 9.307 12.983 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.198 9.036 12.054 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.742 7.411 11.585 1.00 0.00 H new ATOM 0 HG SER A 5 -4.736 7.473 13.680 1.00 0.00 H new ATOM 68 N SER A 6 -1.324 6.529 11.236 1.00 0.00 N ATOM 69 CA SER A 6 -0.436 5.380 11.129 1.00 0.00 C ATOM 70 C SER A 6 0.937 5.824 10.620 1.00 0.00 C ATOM 71 O SER A 6 1.946 5.695 11.315 1.00 0.00 O ATOM 72 CB SER A 6 -1.043 4.334 10.191 1.00 0.00 C ATOM 73 OG SER A 6 -2.359 3.989 10.596 1.00 0.00 O ATOM 0 H SER A 6 -2.085 6.542 10.557 1.00 0.00 H new ATOM 0 HA SER A 6 -0.313 4.932 12.115 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.062 4.722 9.172 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.416 3.442 10.181 1.00 0.00 H new ATOM 0 HG SER A 6 -2.726 3.321 9.980 1.00 0.00 H new ATOM 79 N ALA A 7 0.957 6.354 9.407 1.00 0.00 N ATOM 80 CA ALA A 7 2.158 6.892 8.815 1.00 0.00 C ATOM 81 C ALA A 7 1.774 8.001 7.845 1.00 0.00 C ATOM 82 O ALA A 7 0.686 8.567 7.955 1.00 0.00 O ATOM 83 CB ALA A 7 2.907 5.781 8.100 1.00 0.00 C ATOM 0 H ALA A 7 0.134 6.420 8.808 1.00 0.00 H new ATOM 0 HA ALA A 7 2.810 7.306 9.584 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.815 6.184 7.652 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.171 5.001 8.815 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.274 5.359 7.320 1.00 0.00 H new ATOM 89 N SER A 8 2.654 8.307 6.897 1.00 0.00 N ATOM 90 CA SER A 8 2.333 9.254 5.837 1.00 0.00 C ATOM 91 C SER A 8 1.213 8.684 4.978 1.00 0.00 C ATOM 92 O SER A 8 0.456 9.415 4.337 1.00 0.00 O ATOM 93 CB SER A 8 3.570 9.512 4.973 1.00 0.00 C ATOM 94 OG SER A 8 4.675 9.896 5.775 1.00 0.00 O ATOM 0 H SER A 8 3.593 7.913 6.842 1.00 0.00 H new ATOM 0 HA SER A 8 2.011 10.197 6.279 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.819 8.613 4.410 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.354 10.294 4.245 1.00 0.00 H new ATOM 0 HG SER A 8 5.509 9.684 5.306 1.00 0.00 H new ATOM 100 N VAL A 9 1.117 7.364 4.988 1.00 0.00 N ATOM 101 CA VAL A 9 0.141 6.652 4.212 1.00 0.00 C ATOM 102 C VAL A 9 -0.621 5.661 5.087 1.00 0.00 C ATOM 103 O VAL A 9 -0.134 5.250 6.139 1.00 0.00 O ATOM 104 CB VAL A 9 0.842 5.924 3.045 1.00 0.00 C ATOM 105 CG1 VAL A 9 2.114 5.268 3.517 1.00 0.00 C ATOM 106 CG2 VAL A 9 -0.053 4.887 2.409 1.00 0.00 C ATOM 0 H VAL A 9 1.724 6.761 5.543 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.579 7.362 3.806 1.00 0.00 H new ATOM 0 HB VAL A 9 1.077 6.678 2.294 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.594 4.760 2.680 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.788 6.026 3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.882 4.543 4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.479 4.399 1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.335 4.143 3.154 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.950 5.369 2.020 1.00 0.00 H new ATOM 116 N GLN A 10 -1.826 5.331 4.656 1.00 0.00 N ATOM 117 CA GLN A 10 -2.648 4.316 5.298 1.00 0.00 C ATOM 118 C GLN A 10 -3.421 3.559 4.223 1.00 0.00 C ATOM 119 O GLN A 10 -3.912 4.162 3.269 1.00 0.00 O ATOM 120 CB GLN A 10 -3.628 4.955 6.286 1.00 0.00 C ATOM 121 CG GLN A 10 -4.360 3.940 7.153 1.00 0.00 C ATOM 122 CD GLN A 10 -5.485 4.556 7.964 1.00 0.00 C ATOM 123 OE1 GLN A 10 -5.779 4.117 9.076 1.00 0.00 O ATOM 124 NE2 GLN A 10 -6.136 5.568 7.408 1.00 0.00 N ATOM 0 H GLN A 10 -2.267 5.763 3.844 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.005 3.632 5.852 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.084 5.647 6.930 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.359 5.543 5.732 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.766 3.153 6.517 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.648 3.468 7.830 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.863 5.904 6.484 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.910 6.011 7.904 1.00 0.00 H new ATOM 133 N LEU A 11 -3.507 2.248 4.352 1.00 0.00 N ATOM 134 CA LEU A 11 -4.237 1.446 3.380 1.00 0.00 C ATOM 135 C LEU A 11 -5.739 1.679 3.491 1.00 0.00 C ATOM 136 O LEU A 11 -6.327 1.542 4.565 1.00 0.00 O ATOM 137 CB LEU A 11 -3.946 -0.035 3.578 1.00 0.00 C ATOM 138 CG LEU A 11 -4.592 -0.951 2.539 1.00 0.00 C ATOM 139 CD1 LEU A 11 -3.925 -0.770 1.184 1.00 0.00 C ATOM 140 CD2 LEU A 11 -4.509 -2.394 2.998 1.00 0.00 C ATOM 0 H LEU A 11 -3.085 1.716 5.113 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.903 1.753 2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.867 -0.187 3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.290 -0.331 4.569 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.643 -0.683 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.397 -1.429 0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.034 0.265 0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.866 -1.016 1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.972 -3.040 2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.464 -2.676 3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.032 -2.504 3.948 1.00 0.00 H new ATOM 152 N ASP A 12 -6.349 2.020 2.360 1.00 0.00 N ATOM 153 CA ASP A 12 -7.791 2.227 2.290 1.00 0.00 C ATOM 154 C ASP A 12 -8.505 0.891 2.338 1.00 0.00 C ATOM 155 O ASP A 12 -9.260 0.606 3.266 1.00 0.00 O ATOM 156 CB ASP A 12 -8.165 2.941 0.990 1.00 0.00 C ATOM 157 CG ASP A 12 -9.639 3.322 0.918 1.00 0.00 C ATOM 158 OD1 ASP A 12 -10.490 2.414 0.829 1.00 0.00 O ATOM 159 OD2 ASP A 12 -9.956 4.533 0.929 1.00 0.00 O ATOM 0 H ASP A 12 -5.863 2.159 1.474 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.092 2.841 3.139 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.558 3.841 0.890 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.921 2.296 0.146 1.00 0.00 H new ATOM 164 N SER A 13 -8.234 0.072 1.331 1.00 0.00 N ATOM 165 CA SER A 13 -8.908 -1.214 1.164 1.00 0.00 C ATOM 166 C SER A 13 -8.466 -1.904 -0.114 1.00 0.00 C ATOM 167 O SER A 13 -7.813 -1.312 -0.975 1.00 0.00 O ATOM 168 CB SER A 13 -10.430 -1.028 1.144 1.00 0.00 C ATOM 169 OG SER A 13 -10.816 -0.086 0.155 1.00 0.00 O ATOM 0 H SER A 13 -7.544 0.277 0.608 1.00 0.00 H new ATOM 0 HA SER A 13 -8.633 -1.840 2.013 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.914 -1.985 0.948 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.772 -0.693 2.123 1.00 0.00 H new ATOM 0 HG SER A 13 -10.737 0.821 0.518 1.00 0.00 H new ATOM 175 N TYR A 14 -8.824 -3.169 -0.199 1.00 0.00 N ATOM 176 CA TYR A 14 -8.516 -4.011 -1.331 1.00 0.00 C ATOM 177 C TYR A 14 -9.509 -5.155 -1.341 1.00 0.00 C ATOM 178 O TYR A 14 -10.136 -5.439 -0.318 1.00 0.00 O ATOM 179 CB TYR A 14 -7.082 -4.527 -1.222 1.00 0.00 C ATOM 180 CG TYR A 14 -6.853 -5.357 0.010 1.00 0.00 C ATOM 181 CD1 TYR A 14 -7.139 -6.702 0.001 1.00 0.00 C ATOM 182 CD2 TYR A 14 -6.366 -4.794 1.175 1.00 0.00 C ATOM 183 CE1 TYR A 14 -6.952 -7.482 1.114 1.00 0.00 C ATOM 184 CE2 TYR A 14 -6.171 -5.562 2.304 1.00 0.00 C ATOM 185 CZ TYR A 14 -6.466 -6.911 2.271 1.00 0.00 C ATOM 186 OH TYR A 14 -6.278 -7.686 3.393 1.00 0.00 O ATOM 0 H TYR A 14 -9.348 -3.648 0.533 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.593 -3.451 -2.263 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.847 -5.122 -2.104 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.396 -3.680 -1.217 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.519 -7.155 -0.903 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.135 -3.739 1.201 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.184 -8.536 1.084 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.790 -5.111 3.208 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.929 -7.129 4.120 1.00 0.00 H new ATOM 196 N ASN A 15 -9.667 -5.802 -2.472 1.00 0.00 N ATOM 197 CA ASN A 15 -10.618 -6.885 -2.580 1.00 0.00 C ATOM 198 C ASN A 15 -9.938 -8.132 -3.109 1.00 0.00 C ATOM 199 O ASN A 15 -8.839 -8.068 -3.668 1.00 0.00 O ATOM 200 CB ASN A 15 -11.782 -6.474 -3.489 1.00 0.00 C ATOM 201 CG ASN A 15 -12.915 -7.484 -3.522 1.00 0.00 C ATOM 202 OD1 ASN A 15 -13.483 -7.759 -4.579 1.00 0.00 O ATOM 203 ND2 ASN A 15 -13.291 -8.005 -2.361 1.00 0.00 N ATOM 0 H ASN A 15 -9.151 -5.599 -3.328 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.015 -7.107 -1.589 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -12.173 -5.514 -3.153 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -11.407 -6.329 -4.502 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.075 -8.657 -2.324 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.796 -7.754 -1.505 1.00 0.00 H new ATOM 210 N TYR A 16 -10.603 -9.256 -2.927 1.00 0.00 N ATOM 211 CA TYR A 16 -10.070 -10.543 -3.317 1.00 0.00 C ATOM 212 C TYR A 16 -11.218 -11.489 -3.625 1.00 0.00 C ATOM 213 O TYR A 16 -12.298 -11.373 -3.041 1.00 0.00 O ATOM 214 CB TYR A 16 -9.215 -11.124 -2.192 1.00 0.00 C ATOM 215 CG TYR A 16 -8.334 -12.280 -2.613 1.00 0.00 C ATOM 216 CD1 TYR A 16 -7.115 -12.052 -3.235 1.00 0.00 C ATOM 217 CD2 TYR A 16 -8.717 -13.594 -2.383 1.00 0.00 C ATOM 218 CE1 TYR A 16 -6.303 -13.099 -3.617 1.00 0.00 C ATOM 219 CE2 TYR A 16 -7.910 -14.649 -2.763 1.00 0.00 C ATOM 220 CZ TYR A 16 -6.704 -14.396 -3.381 1.00 0.00 C ATOM 221 OH TYR A 16 -5.898 -15.443 -3.765 1.00 0.00 O ATOM 0 H TYR A 16 -11.530 -9.301 -2.504 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.447 -10.418 -4.203 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.586 -10.333 -1.784 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -9.871 -11.457 -1.388 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.797 -11.037 -3.423 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.661 -13.795 -1.899 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.357 -12.903 -4.099 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.222 -15.666 -2.577 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.327 -16.291 -3.525 1.00 0.00 H new ATOM 231 N ASP A 17 -10.973 -12.413 -4.537 1.00 0.00 N ATOM 232 CA ASP A 17 -11.958 -13.422 -4.921 1.00 0.00 C ATOM 233 C ASP A 17 -11.363 -14.328 -5.980 1.00 0.00 C ATOM 234 O ASP A 17 -10.873 -13.849 -7.006 1.00 0.00 O ATOM 235 CB ASP A 17 -13.249 -12.785 -5.448 1.00 0.00 C ATOM 236 CG ASP A 17 -14.381 -13.787 -5.556 1.00 0.00 C ATOM 237 OD1 ASP A 17 -14.953 -14.153 -4.503 1.00 0.00 O ATOM 238 OD2 ASP A 17 -14.698 -14.218 -6.681 1.00 0.00 O ATOM 0 H ASP A 17 -10.086 -12.489 -5.036 1.00 0.00 H new ATOM 0 HA ASP A 17 -12.214 -14.000 -4.033 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -13.548 -11.973 -4.786 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.061 -12.345 -6.427 1.00 0.00 H new ATOM 243 N GLY A 18 -11.398 -15.631 -5.729 1.00 0.00 N ATOM 244 CA GLY A 18 -10.682 -16.563 -6.576 1.00 0.00 C ATOM 245 C GLY A 18 -9.202 -16.269 -6.536 1.00 0.00 C ATOM 246 O GLY A 18 -8.528 -16.551 -5.542 1.00 0.00 O ATOM 0 H GLY A 18 -11.908 -16.057 -4.956 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.867 -17.584 -6.243 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.048 -16.490 -7.600 1.00 0.00 H new ATOM 250 N SER A 19 -8.694 -15.689 -7.604 1.00 0.00 N ATOM 251 CA SER A 19 -7.378 -15.099 -7.580 1.00 0.00 C ATOM 252 C SER A 19 -7.453 -13.720 -8.222 1.00 0.00 C ATOM 253 O SER A 19 -7.242 -13.562 -9.425 1.00 0.00 O ATOM 254 CB SER A 19 -6.403 -15.995 -8.344 1.00 0.00 C ATOM 255 OG SER A 19 -6.425 -17.322 -7.840 1.00 0.00 O ATOM 0 H SER A 19 -9.176 -15.615 -8.500 1.00 0.00 H new ATOM 0 HA SER A 19 -7.024 -15.001 -6.554 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.663 -16.001 -9.403 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.394 -15.590 -8.265 1.00 0.00 H new ATOM 0 HG SER A 19 -5.794 -17.875 -8.347 1.00 0.00 H new ATOM 261 N THR A 20 -7.796 -12.725 -7.419 1.00 0.00 N ATOM 262 CA THR A 20 -7.855 -11.352 -7.879 1.00 0.00 C ATOM 263 C THR A 20 -7.493 -10.391 -6.754 1.00 0.00 C ATOM 264 O THR A 20 -7.949 -10.558 -5.625 1.00 0.00 O ATOM 265 CB THR A 20 -9.249 -11.008 -8.447 1.00 0.00 C ATOM 266 OG1 THR A 20 -9.539 -11.866 -9.562 1.00 0.00 O ATOM 267 CG2 THR A 20 -9.317 -9.552 -8.891 1.00 0.00 C ATOM 0 H THR A 20 -8.039 -12.848 -6.436 1.00 0.00 H new ATOM 0 HA THR A 20 -7.126 -11.243 -8.682 1.00 0.00 H new ATOM 0 HB THR A 20 -9.987 -11.160 -7.660 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.425 -11.648 -9.921 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.310 -9.338 -9.287 1.00 0.00 H new ATOM 0 HG22 THR A 20 -9.118 -8.902 -8.039 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.572 -9.373 -9.666 1.00 0.00 H new ATOM 275 N PHE A 21 -6.679 -9.400 -7.061 1.00 0.00 N ATOM 276 CA PHE A 21 -6.390 -8.321 -6.137 1.00 0.00 C ATOM 277 C PHE A 21 -6.883 -7.030 -6.752 1.00 0.00 C ATOM 278 O PHE A 21 -6.749 -6.804 -7.950 1.00 0.00 O ATOM 279 CB PHE A 21 -4.883 -8.237 -5.855 1.00 0.00 C ATOM 280 CG PHE A 21 -4.482 -7.180 -4.852 1.00 0.00 C ATOM 281 CD1 PHE A 21 -4.437 -5.839 -5.205 1.00 0.00 C ATOM 282 CD2 PHE A 21 -4.143 -7.533 -3.557 1.00 0.00 C ATOM 283 CE1 PHE A 21 -4.067 -4.875 -4.286 1.00 0.00 C ATOM 284 CE2 PHE A 21 -3.769 -6.570 -2.632 1.00 0.00 C ATOM 285 CZ PHE A 21 -3.732 -5.241 -3.000 1.00 0.00 C ATOM 0 H PHE A 21 -6.200 -9.320 -7.958 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.894 -8.502 -5.187 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.541 -9.207 -5.495 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.363 -8.043 -6.793 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.695 -5.544 -6.212 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.170 -8.572 -3.263 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.040 -3.835 -4.576 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.507 -6.860 -1.625 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.441 -4.489 -2.282 1.00 0.00 H new ATOM 295 N SER A 22 -7.474 -6.206 -5.938 1.00 0.00 N ATOM 296 CA SER A 22 -7.886 -4.890 -6.364 1.00 0.00 C ATOM 297 C SER A 22 -7.834 -3.959 -5.182 1.00 0.00 C ATOM 298 O SER A 22 -8.635 -4.052 -4.257 1.00 0.00 O ATOM 299 CB SER A 22 -9.275 -4.911 -6.987 1.00 0.00 C ATOM 300 OG SER A 22 -10.214 -5.559 -6.144 1.00 0.00 O ATOM 0 H SER A 22 -7.686 -6.420 -4.964 1.00 0.00 H new ATOM 0 HA SER A 22 -7.204 -4.536 -7.137 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.603 -3.890 -7.181 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.235 -5.422 -7.949 1.00 0.00 H new ATOM 0 HG SER A 22 -11.096 -5.554 -6.572 1.00 0.00 H new ATOM 306 N GLY A 23 -6.888 -3.059 -5.216 1.00 0.00 N ATOM 307 CA GLY A 23 -6.556 -2.317 -4.033 1.00 0.00 C ATOM 308 C GLY A 23 -6.419 -0.847 -4.282 1.00 0.00 C ATOM 309 O GLY A 23 -6.039 -0.416 -5.372 1.00 0.00 O ATOM 0 H GLY A 23 -6.339 -2.824 -6.043 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.326 -2.482 -3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.621 -2.699 -3.622 1.00 0.00 H new ATOM 313 N LYS A 24 -6.737 -0.078 -3.270 1.00 0.00 N ATOM 314 CA LYS A 24 -6.592 1.347 -3.334 1.00 0.00 C ATOM 315 C LYS A 24 -6.071 1.855 -1.999 1.00 0.00 C ATOM 316 O LYS A 24 -6.258 1.217 -0.957 1.00 0.00 O ATOM 317 CB LYS A 24 -7.914 1.998 -3.725 1.00 0.00 C ATOM 318 CG LYS A 24 -9.055 1.685 -2.781 1.00 0.00 C ATOM 319 CD LYS A 24 -10.347 2.355 -3.220 1.00 0.00 C ATOM 320 CE LYS A 24 -11.516 1.960 -2.329 1.00 0.00 C ATOM 321 NZ LYS A 24 -11.833 0.513 -2.442 1.00 0.00 N ATOM 0 H LYS A 24 -7.102 -0.425 -2.383 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.869 1.616 -4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.777 3.078 -3.768 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.186 1.671 -4.729 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.202 0.606 -2.733 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.797 2.016 -1.775 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.222 3.438 -3.197 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.567 2.081 -4.252 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.280 2.200 -1.292 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.394 2.546 -2.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.857 0.392 -2.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.325 0.109 -3.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.539 0.024 -1.572 1.00 0.00 H new ATOM 335 N ILE A 25 -5.411 2.993 -2.033 1.00 0.00 N ATOM 336 CA ILE A 25 -4.596 3.430 -0.916 1.00 0.00 C ATOM 337 C ILE A 25 -4.840 4.905 -0.602 1.00 0.00 C ATOM 338 O ILE A 25 -5.234 5.682 -1.474 1.00 0.00 O ATOM 339 CB ILE A 25 -3.096 3.195 -1.216 1.00 0.00 C ATOM 340 CG1 ILE A 25 -2.881 1.794 -1.805 1.00 0.00 C ATOM 341 CG2 ILE A 25 -2.267 3.357 0.050 1.00 0.00 C ATOM 342 CD1 ILE A 25 -1.455 1.517 -2.220 1.00 0.00 C ATOM 0 H ILE A 25 -5.422 3.636 -2.825 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.880 2.841 -0.044 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.773 3.938 -1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.186 1.050 -1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.532 1.671 -2.671 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.215 3.188 -0.180 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.395 4.366 0.442 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.596 2.633 0.796 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.384 0.508 -2.626 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.151 2.237 -2.980 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.800 1.606 -1.353 1.00 0.00 H new ATOM 354 N TYR A 26 -4.587 5.265 0.645 1.00 0.00 N ATOM 355 CA TYR A 26 -4.877 6.591 1.165 1.00 0.00 C ATOM 356 C TYR A 26 -3.585 7.210 1.725 1.00 0.00 C ATOM 357 O TYR A 26 -3.177 6.897 2.841 1.00 0.00 O ATOM 358 CB TYR A 26 -5.928 6.415 2.268 1.00 0.00 C ATOM 359 CG TYR A 26 -6.664 7.661 2.683 1.00 0.00 C ATOM 360 CD1 TYR A 26 -6.015 8.683 3.344 1.00 0.00 C ATOM 361 CD2 TYR A 26 -8.025 7.789 2.440 1.00 0.00 C ATOM 362 CE1 TYR A 26 -6.702 9.810 3.756 1.00 0.00 C ATOM 363 CE2 TYR A 26 -8.718 8.912 2.841 1.00 0.00 C ATOM 364 CZ TYR A 26 -8.053 9.920 3.501 1.00 0.00 C ATOM 365 OH TYR A 26 -8.744 11.036 3.914 1.00 0.00 O ATOM 0 H TYR A 26 -4.170 4.638 1.333 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.255 7.258 0.390 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.659 5.680 1.932 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -5.437 5.997 3.147 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.956 8.602 3.542 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.550 6.996 1.928 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -6.182 10.601 4.276 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.775 9.000 2.638 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.685 10.953 3.653 1.00 0.00 H new ATOM 375 N VAL A 27 -2.927 8.079 0.954 1.00 0.00 N ATOM 376 CA VAL A 27 -1.586 8.544 1.333 1.00 0.00 C ATOM 377 C VAL A 27 -1.417 10.050 1.141 1.00 0.00 C ATOM 378 O VAL A 27 -2.042 10.660 0.269 1.00 0.00 O ATOM 379 CB VAL A 27 -0.456 7.781 0.570 1.00 0.00 C ATOM 380 CG1 VAL A 27 -1.015 6.650 -0.274 1.00 0.00 C ATOM 381 CG2 VAL A 27 0.390 8.708 -0.295 1.00 0.00 C ATOM 0 H VAL A 27 -3.288 8.469 0.083 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.490 8.323 2.396 1.00 0.00 H new ATOM 0 HB VAL A 27 0.192 7.357 1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.199 6.143 -0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.536 5.940 0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.712 7.054 -1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.160 8.129 -0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.245 9.196 -1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.860 9.464 0.334 1.00 0.00 H new ATOM 391 N LYS A 28 -0.564 10.637 1.979 1.00 0.00 N ATOM 392 CA LYS A 28 -0.287 12.063 1.940 1.00 0.00 C ATOM 393 C LYS A 28 0.724 12.408 0.860 1.00 0.00 C ATOM 394 O LYS A 28 1.658 11.661 0.598 1.00 0.00 O ATOM 395 CB LYS A 28 0.225 12.553 3.303 1.00 0.00 C ATOM 396 CG LYS A 28 1.029 13.847 3.234 1.00 0.00 C ATOM 397 CD LYS A 28 1.130 14.540 4.579 1.00 0.00 C ATOM 398 CE LYS A 28 -0.123 15.346 4.884 1.00 0.00 C ATOM 399 NZ LYS A 28 -0.431 16.321 3.797 1.00 0.00 N ATOM 0 H LYS A 28 -0.049 10.134 2.701 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.224 12.568 1.705 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.626 12.701 3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.845 11.775 3.748 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.031 13.629 2.865 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.564 14.522 2.515 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.286 13.798 5.362 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.999 15.198 4.586 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.967 14.670 5.016 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.008 15.880 5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.608 17.258 4.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.376 16.378 3.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.276 16.007 3.278 1.00 0.00 H new ATOM 413 N ASN A 29 0.514 13.558 0.254 1.00 0.00 N ATOM 414 CA ASN A 29 1.426 14.118 -0.725 1.00 0.00 C ATOM 415 C ASN A 29 2.572 14.863 -0.032 1.00 0.00 C ATOM 416 O ASN A 29 2.391 15.967 0.476 1.00 0.00 O ATOM 417 CB ASN A 29 0.659 15.073 -1.656 1.00 0.00 C ATOM 418 CG ASN A 29 -0.194 16.099 -0.905 1.00 0.00 C ATOM 419 OD1 ASN A 29 -0.717 15.825 0.178 1.00 0.00 O ATOM 420 ND2 ASN A 29 -0.355 17.278 -1.480 1.00 0.00 N ATOM 0 H ASN A 29 -0.306 14.139 0.429 1.00 0.00 H new ATOM 0 HA ASN A 29 1.854 13.306 -1.313 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.371 15.599 -2.292 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.016 14.489 -2.314 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.925 17.992 -1.028 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.091 17.474 -2.376 1.00 0.00 H new ATOM 427 N ILE A 30 3.749 14.246 0.006 1.00 0.00 N ATOM 428 CA ILE A 30 4.924 14.898 0.588 1.00 0.00 C ATOM 429 C ILE A 30 5.520 15.825 -0.452 1.00 0.00 C ATOM 430 O ILE A 30 5.625 17.036 -0.263 1.00 0.00 O ATOM 431 CB ILE A 30 6.023 13.892 1.013 1.00 0.00 C ATOM 432 CG1 ILE A 30 5.440 12.699 1.778 1.00 0.00 C ATOM 433 CG2 ILE A 30 7.084 14.593 1.846 1.00 0.00 C ATOM 434 CD1 ILE A 30 4.614 13.059 2.990 1.00 0.00 C ATOM 0 H ILE A 30 3.917 13.307 -0.354 1.00 0.00 H new ATOM 0 HA ILE A 30 4.593 15.430 1.480 1.00 0.00 H new ATOM 0 HB ILE A 30 6.483 13.502 0.105 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.821 12.116 1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.260 12.054 2.094 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.850 13.875 2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.539 15.391 1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.624 15.017 2.739 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.246 12.149 3.463 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.230 13.613 3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.769 13.676 2.684 1.00 0.00 H new ATOM 446 N ALA A 31 5.890 15.219 -1.562 1.00 0.00 N ATOM 447 CA ALA A 31 6.370 15.924 -2.715 1.00 0.00 C ATOM 448 C ALA A 31 5.523 15.503 -3.898 1.00 0.00 C ATOM 449 O ALA A 31 4.367 15.111 -3.718 1.00 0.00 O ATOM 450 CB ALA A 31 7.837 15.628 -2.949 1.00 0.00 C ATOM 0 H ALA A 31 5.862 14.206 -1.682 1.00 0.00 H new ATOM 0 HA ALA A 31 6.287 17.001 -2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.182 16.172 -3.828 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.414 15.940 -2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.971 14.558 -3.109 1.00 0.00 H new ATOM 456 N TYR A 32 6.071 15.543 -5.088 1.00 0.00 N ATOM 457 CA TYR A 32 5.296 15.188 -6.253 1.00 0.00 C ATOM 458 C TYR A 32 5.746 13.861 -6.836 1.00 0.00 C ATOM 459 O TYR A 32 4.921 13.006 -7.163 1.00 0.00 O ATOM 460 CB TYR A 32 5.387 16.296 -7.279 1.00 0.00 C ATOM 461 CG TYR A 32 4.468 16.099 -8.458 1.00 0.00 C ATOM 462 CD1 TYR A 32 3.096 16.138 -8.289 1.00 0.00 C ATOM 463 CD2 TYR A 32 4.969 15.874 -9.733 1.00 0.00 C ATOM 464 CE1 TYR A 32 2.240 15.961 -9.358 1.00 0.00 C ATOM 465 CE2 TYR A 32 4.122 15.695 -10.809 1.00 0.00 C ATOM 466 CZ TYR A 32 2.757 15.740 -10.615 1.00 0.00 C ATOM 467 OH TYR A 32 1.907 15.569 -11.682 1.00 0.00 O ATOM 0 H TYR A 32 7.036 15.814 -5.275 1.00 0.00 H new ATOM 0 HA TYR A 32 4.254 15.067 -5.955 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.151 17.246 -6.799 1.00 0.00 H new ATOM 0 HB3 TYR A 32 6.414 16.366 -7.637 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.687 16.310 -7.304 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.038 15.838 -9.886 1.00 0.00 H new ATOM 0 HE1 TYR A 32 1.171 15.996 -9.209 1.00 0.00 H new ATOM 0 HE2 TYR A 32 4.526 15.521 -11.796 1.00 0.00 H new ATOM 0 HH TYR A 32 2.431 15.424 -12.498 1.00 0.00 H new ATOM 477 N SER A 33 7.050 13.681 -6.949 1.00 0.00 N ATOM 478 CA SER A 33 7.590 12.451 -7.487 1.00 0.00 C ATOM 479 C SER A 33 7.519 11.349 -6.435 1.00 0.00 C ATOM 480 O SER A 33 8.483 11.083 -5.711 1.00 0.00 O ATOM 481 CB SER A 33 9.030 12.663 -7.960 1.00 0.00 C ATOM 482 OG SER A 33 9.508 11.547 -8.694 1.00 0.00 O ATOM 0 H SER A 33 7.750 14.370 -6.676 1.00 0.00 H new ATOM 0 HA SER A 33 6.994 12.147 -8.347 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.082 13.557 -8.581 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.675 12.836 -7.098 1.00 0.00 H new ATOM 0 HG SER A 33 10.429 11.715 -8.982 1.00 0.00 H new ATOM 488 N LYS A 34 6.350 10.742 -6.331 1.00 0.00 N ATOM 489 CA LYS A 34 6.117 9.671 -5.401 1.00 0.00 C ATOM 490 C LYS A 34 5.938 8.378 -6.173 1.00 0.00 C ATOM 491 O LYS A 34 5.516 8.403 -7.330 1.00 0.00 O ATOM 492 CB LYS A 34 4.857 9.987 -4.601 1.00 0.00 C ATOM 493 CG LYS A 34 4.885 11.355 -3.954 1.00 0.00 C ATOM 494 CD LYS A 34 3.490 11.843 -3.611 1.00 0.00 C ATOM 495 CE LYS A 34 2.607 11.899 -4.850 1.00 0.00 C ATOM 496 NZ LYS A 34 1.282 12.505 -4.565 1.00 0.00 N ATOM 0 H LYS A 34 5.536 10.986 -6.896 1.00 0.00 H new ATOM 0 HA LYS A 34 6.961 9.564 -4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.991 9.922 -5.260 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.727 9.230 -3.828 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.490 11.317 -3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.364 12.066 -4.627 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.042 11.180 -2.871 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.549 12.833 -3.158 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.109 12.476 -5.627 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.468 10.891 -5.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.547 11.771 -4.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.289 12.923 -3.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.081 13.246 -5.266 1.00 0.00 H new ATOM 510 N LYS A 35 6.266 7.263 -5.556 1.00 0.00 N ATOM 511 CA LYS A 35 6.052 5.975 -6.180 1.00 0.00 C ATOM 512 C LYS A 35 5.609 4.981 -5.123 1.00 0.00 C ATOM 513 O LYS A 35 6.358 4.604 -4.218 1.00 0.00 O ATOM 514 CB LYS A 35 7.299 5.487 -6.933 1.00 0.00 C ATOM 515 CG LYS A 35 8.539 5.387 -6.071 1.00 0.00 C ATOM 516 CD LYS A 35 9.690 4.719 -6.807 1.00 0.00 C ATOM 517 CE LYS A 35 9.374 3.268 -7.133 1.00 0.00 C ATOM 518 NZ LYS A 35 10.524 2.582 -7.773 1.00 0.00 N ATOM 0 H LYS A 35 6.681 7.222 -4.625 1.00 0.00 H new ATOM 0 HA LYS A 35 5.267 6.072 -6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.090 4.509 -7.366 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.499 6.166 -7.762 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.842 6.385 -5.754 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.309 4.821 -5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.899 5.263 -7.728 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.591 4.768 -6.196 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.100 2.742 -6.219 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.510 3.225 -7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.268 1.595 -7.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.769 3.069 -8.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.341 2.601 -7.130 1.00 0.00 H new ATOM 532 N VAL A 36 4.362 4.600 -5.218 1.00 0.00 N ATOM 533 CA VAL A 36 3.763 3.743 -4.228 1.00 0.00 C ATOM 534 C VAL A 36 3.900 2.292 -4.628 1.00 0.00 C ATOM 535 O VAL A 36 3.507 1.882 -5.720 1.00 0.00 O ATOM 536 CB VAL A 36 2.295 4.125 -3.991 1.00 0.00 C ATOM 537 CG1 VAL A 36 1.588 3.106 -3.147 1.00 0.00 C ATOM 538 CG2 VAL A 36 2.233 5.465 -3.301 1.00 0.00 C ATOM 0 H VAL A 36 3.737 4.872 -5.977 1.00 0.00 H new ATOM 0 HA VAL A 36 4.294 3.880 -3.286 1.00 0.00 H new ATOM 0 HB VAL A 36 1.798 4.170 -4.960 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.552 3.410 -3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.615 2.138 -3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.083 3.028 -2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.192 5.739 -3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.753 5.406 -2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.709 6.219 -3.927 1.00 0.00 H new ATOM 548 N THR A 37 4.481 1.533 -3.729 1.00 0.00 N ATOM 549 CA THR A 37 4.882 0.182 -4.014 1.00 0.00 C ATOM 550 C THR A 37 4.247 -0.796 -3.044 1.00 0.00 C ATOM 551 O THR A 37 4.452 -0.722 -1.829 1.00 0.00 O ATOM 552 CB THR A 37 6.419 0.083 -3.949 1.00 0.00 C ATOM 553 OG1 THR A 37 6.885 0.527 -2.668 1.00 0.00 O ATOM 554 CG2 THR A 37 7.055 0.943 -5.034 1.00 0.00 C ATOM 0 H THR A 37 4.688 1.839 -2.778 1.00 0.00 H new ATOM 0 HA THR A 37 4.541 -0.081 -5.015 1.00 0.00 H new ATOM 0 HB THR A 37 6.701 -0.958 -4.104 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.781 0.913 -2.762 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.140 0.861 -4.974 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.719 0.601 -6.013 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.761 1.983 -4.893 1.00 0.00 H new ATOM 562 N VAL A 38 3.433 -1.690 -3.578 1.00 0.00 N ATOM 563 CA VAL A 38 2.934 -2.787 -2.789 1.00 0.00 C ATOM 564 C VAL A 38 4.037 -3.777 -2.568 1.00 0.00 C ATOM 565 O VAL A 38 4.834 -4.036 -3.456 1.00 0.00 O ATOM 566 CB VAL A 38 1.801 -3.578 -3.464 1.00 0.00 C ATOM 567 CG1 VAL A 38 1.479 -4.840 -2.689 1.00 0.00 C ATOM 568 CG2 VAL A 38 0.540 -2.803 -3.585 1.00 0.00 C ATOM 0 H VAL A 38 3.110 -1.673 -4.545 1.00 0.00 H new ATOM 0 HA VAL A 38 2.556 -2.335 -1.872 1.00 0.00 H new ATOM 0 HB VAL A 38 2.174 -3.812 -4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.675 -5.379 -3.189 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.365 -5.473 -2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.166 -4.577 -1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.219 -3.417 -4.069 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.194 -2.514 -2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.718 -1.909 -4.182 1.00 0.00 H new ATOM 578 N VAL A 39 4.071 -4.317 -1.393 1.00 0.00 N ATOM 579 CA VAL A 39 4.751 -5.559 -1.176 1.00 0.00 C ATOM 580 C VAL A 39 3.749 -6.502 -0.560 1.00 0.00 C ATOM 581 O VAL A 39 3.439 -6.395 0.627 1.00 0.00 O ATOM 582 CB VAL A 39 6.012 -5.434 -0.289 1.00 0.00 C ATOM 583 CG1 VAL A 39 7.267 -5.564 -1.136 1.00 0.00 C ATOM 584 CG2 VAL A 39 6.027 -4.117 0.460 1.00 0.00 C ATOM 0 H VAL A 39 3.634 -3.917 -0.562 1.00 0.00 H new ATOM 0 HA VAL A 39 5.124 -5.930 -2.131 1.00 0.00 H new ATOM 0 HB VAL A 39 5.988 -6.242 0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.147 -5.474 -0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.274 -6.536 -1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.282 -4.775 -1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.925 -4.058 1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.021 -3.293 -0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.146 -4.051 1.098 1.00 0.00 H new ATOM 594 N TYR A 40 3.181 -7.384 -1.376 1.00 0.00 N ATOM 595 CA TYR A 40 2.218 -8.340 -0.850 1.00 0.00 C ATOM 596 C TYR A 40 2.704 -9.765 -1.064 1.00 0.00 C ATOM 597 O TYR A 40 3.091 -10.168 -2.159 1.00 0.00 O ATOM 598 CB TYR A 40 0.745 -8.093 -1.323 1.00 0.00 C ATOM 599 CG TYR A 40 0.451 -8.022 -2.821 1.00 0.00 C ATOM 600 CD1 TYR A 40 1.051 -8.871 -3.707 1.00 0.00 C ATOM 601 CD2 TYR A 40 -0.490 -7.130 -3.326 1.00 0.00 C ATOM 602 CE1 TYR A 40 0.775 -8.855 -5.045 1.00 0.00 C ATOM 603 CE2 TYR A 40 -0.780 -7.091 -4.679 1.00 0.00 C ATOM 604 CZ TYR A 40 -0.140 -7.961 -5.534 1.00 0.00 C ATOM 605 OH TYR A 40 -0.414 -7.936 -6.879 1.00 0.00 O ATOM 0 H TYR A 40 3.365 -7.456 -2.377 1.00 0.00 H new ATOM 0 HA TYR A 40 2.163 -8.176 0.226 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.127 -8.887 -0.903 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.408 -7.157 -0.877 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.772 -9.583 -3.335 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.002 -6.458 -2.653 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.275 -9.542 -5.712 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.502 -6.384 -5.061 1.00 0.00 H new ATOM 0 HH TYR A 40 0.127 -8.614 -7.336 1.00 0.00 H new ATOM 615 N ALA A 41 2.737 -10.495 0.041 1.00 0.00 N ATOM 616 CA ALA A 41 3.460 -11.742 0.143 1.00 0.00 C ATOM 617 C ALA A 41 2.633 -12.903 -0.318 1.00 0.00 C ATOM 618 O ALA A 41 1.411 -12.934 -0.142 1.00 0.00 O ATOM 619 CB ALA A 41 3.920 -11.967 1.570 1.00 0.00 C ATOM 0 H ALA A 41 2.255 -10.230 0.900 1.00 0.00 H new ATOM 0 HA ALA A 41 4.330 -11.672 -0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.463 -12.910 1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.574 -11.150 1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.053 -12.003 2.230 1.00 0.00 H new ATOM 625 N ASP A 42 3.353 -13.888 -0.810 1.00 0.00 N ATOM 626 CA ASP A 42 2.775 -14.986 -1.570 1.00 0.00 C ATOM 627 C ASP A 42 2.003 -15.928 -0.659 1.00 0.00 C ATOM 628 O ASP A 42 2.006 -15.771 0.567 1.00 0.00 O ATOM 629 CB ASP A 42 3.885 -15.785 -2.264 1.00 0.00 C ATOM 630 CG ASP A 42 4.943 -14.907 -2.900 1.00 0.00 C ATOM 631 OD1 ASP A 42 5.932 -14.573 -2.208 1.00 0.00 O ATOM 632 OD2 ASP A 42 4.801 -14.559 -4.091 1.00 0.00 O ATOM 0 H ASP A 42 4.364 -13.954 -0.695 1.00 0.00 H new ATOM 0 HA ASP A 42 2.097 -14.560 -2.309 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.358 -16.444 -1.537 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.441 -16.421 -3.030 1.00 0.00 H new ATOM 637 N GLY A 43 1.389 -16.941 -1.259 1.00 0.00 N ATOM 638 CA GLY A 43 0.659 -17.941 -0.503 1.00 0.00 C ATOM 639 C GLY A 43 1.591 -18.924 0.177 1.00 0.00 C ATOM 640 O GLY A 43 1.283 -20.109 0.302 1.00 0.00 O ATOM 0 H GLY A 43 1.385 -17.088 -2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.040 -17.449 0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.015 -18.480 -1.169 1.00 0.00 H new ATOM 644 N SER A 44 2.745 -18.427 0.592 1.00 0.00 N ATOM 645 CA SER A 44 3.707 -19.209 1.338 1.00 0.00 C ATOM 646 C SER A 44 3.790 -18.662 2.749 1.00 0.00 C ATOM 647 O SER A 44 4.401 -19.253 3.640 1.00 0.00 O ATOM 648 CB SER A 44 5.072 -19.126 0.667 1.00 0.00 C ATOM 649 OG SER A 44 6.013 -19.998 1.276 1.00 0.00 O ATOM 0 H SER A 44 3.038 -17.466 0.418 1.00 0.00 H new ATOM 0 HA SER A 44 3.395 -20.253 1.365 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.974 -19.378 -0.389 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.440 -18.101 0.718 1.00 0.00 H new ATOM 0 HG SER A 44 5.877 -19.999 2.247 1.00 0.00 H new ATOM 655 N ASP A 45 3.162 -17.501 2.906 1.00 0.00 N ATOM 656 CA ASP A 45 3.065 -16.797 4.178 1.00 0.00 C ATOM 657 C ASP A 45 4.377 -16.109 4.501 1.00 0.00 C ATOM 658 O ASP A 45 5.294 -16.717 5.056 1.00 0.00 O ATOM 659 CB ASP A 45 2.641 -17.740 5.316 1.00 0.00 C ATOM 660 CG ASP A 45 2.446 -17.027 6.640 1.00 0.00 C ATOM 661 OD1 ASP A 45 3.428 -16.882 7.398 1.00 0.00 O ATOM 662 OD2 ASP A 45 1.302 -16.628 6.943 1.00 0.00 O ATOM 0 H ASP A 45 2.698 -17.015 2.138 1.00 0.00 H new ATOM 0 HA ASP A 45 2.289 -16.037 4.083 1.00 0.00 H new ATOM 0 HB2 ASP A 45 1.712 -18.239 5.039 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.396 -18.517 5.436 1.00 0.00 H new ATOM 667 N ASN A 46 4.466 -14.854 4.062 1.00 0.00 N ATOM 668 CA ASN A 46 5.562 -13.947 4.436 1.00 0.00 C ATOM 669 C ASN A 46 6.775 -14.150 3.528 1.00 0.00 C ATOM 670 O ASN A 46 6.959 -15.222 2.947 1.00 0.00 O ATOM 671 CB ASN A 46 5.944 -14.156 5.903 1.00 0.00 C ATOM 672 CG ASN A 46 6.941 -13.140 6.425 1.00 0.00 C ATOM 673 OD1 ASN A 46 8.149 -13.328 6.318 1.00 0.00 O ATOM 674 ND2 ASN A 46 6.443 -12.064 7.015 1.00 0.00 N ATOM 0 H ASN A 46 3.781 -14.432 3.435 1.00 0.00 H new ATOM 0 HA ASN A 46 5.217 -12.921 4.308 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.042 -14.113 6.514 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.362 -15.156 6.021 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.070 -11.357 7.399 1.00 0.00 H new ATOM 0 HD22 ASN A 46 5.433 -11.942 7.085 1.00 0.00 H new ATOM 681 N TRP A 47 7.588 -13.108 3.399 1.00 0.00 N ATOM 682 CA TRP A 47 8.683 -13.097 2.461 1.00 0.00 C ATOM 683 C TRP A 47 9.851 -13.978 2.846 1.00 0.00 C ATOM 684 O TRP A 47 10.433 -13.851 3.919 1.00 0.00 O ATOM 685 CB TRP A 47 9.155 -11.678 2.225 1.00 0.00 C ATOM 686 CG TRP A 47 8.275 -11.045 1.239 1.00 0.00 C ATOM 687 CD1 TRP A 47 8.347 -11.185 -0.101 1.00 0.00 C ATOM 688 CD2 TRP A 47 7.142 -10.251 1.510 1.00 0.00 C ATOM 689 NE1 TRP A 47 7.326 -10.502 -0.699 1.00 0.00 N ATOM 690 CE2 TRP A 47 6.572 -9.923 0.280 1.00 0.00 C ATOM 691 CE3 TRP A 47 6.551 -9.777 2.678 1.00 0.00 C ATOM 692 CZ2 TRP A 47 5.442 -9.156 0.192 1.00 0.00 C ATOM 693 CZ3 TRP A 47 5.434 -9.020 2.583 1.00 0.00 C ATOM 694 CH2 TRP A 47 4.884 -8.719 1.349 1.00 0.00 C ATOM 0 H TRP A 47 7.499 -12.251 3.946 1.00 0.00 H new ATOM 0 HA TRP A 47 8.284 -13.524 1.541 1.00 0.00 H new ATOM 0 HB2 TRP A 47 9.142 -11.116 3.159 1.00 0.00 H new ATOM 0 HB3 TRP A 47 10.185 -11.677 1.867 1.00 0.00 H new ATOM 0 HD1 TRP A 47 9.101 -11.754 -0.624 1.00 0.00 H new ATOM 0 HE1 TRP A 47 7.157 -10.436 -1.703 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.977 -10.010 3.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.009 -8.907 -0.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.965 -8.646 3.481 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.986 -8.120 1.306 1.00 0.00 H new ATOM 705 N ASN A 48 10.186 -14.864 1.930 1.00 0.00 N ATOM 706 CA ASN A 48 11.422 -15.612 1.994 1.00 0.00 C ATOM 707 C ASN A 48 12.569 -14.708 1.522 1.00 0.00 C ATOM 708 O ASN A 48 13.035 -14.806 0.392 1.00 0.00 O ATOM 709 CB ASN A 48 11.286 -16.888 1.136 1.00 0.00 C ATOM 710 CG ASN A 48 12.609 -17.531 0.761 1.00 0.00 C ATOM 711 OD1 ASN A 48 13.174 -18.318 1.516 1.00 0.00 O ATOM 712 ND2 ASN A 48 13.088 -17.219 -0.435 1.00 0.00 N ATOM 0 H ASN A 48 9.607 -15.085 1.120 1.00 0.00 H new ATOM 0 HA ASN A 48 11.642 -15.926 3.014 1.00 0.00 H new ATOM 0 HB2 ASN A 48 10.683 -17.615 1.680 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.743 -16.642 0.223 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.959 -17.638 -0.761 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.585 -16.560 -1.030 1.00 0.00 H new ATOM 719 N ASN A 49 12.954 -13.761 2.381 1.00 0.00 N ATOM 720 CA ASN A 49 14.045 -12.821 2.080 1.00 0.00 C ATOM 721 C ASN A 49 13.872 -12.216 0.679 1.00 0.00 C ATOM 722 O ASN A 49 14.839 -11.946 -0.032 1.00 0.00 O ATOM 723 CB ASN A 49 15.395 -13.544 2.199 1.00 0.00 C ATOM 724 CG ASN A 49 16.587 -12.611 2.085 1.00 0.00 C ATOM 725 OD1 ASN A 49 16.518 -11.443 2.467 1.00 0.00 O ATOM 726 ND2 ASN A 49 17.690 -13.124 1.560 1.00 0.00 N ATOM 0 H ASN A 49 12.526 -13.622 3.296 1.00 0.00 H new ATOM 0 HA ASN A 49 14.017 -12.003 2.800 1.00 0.00 H new ATOM 0 HB2 ASN A 49 15.438 -14.063 3.157 1.00 0.00 H new ATOM 0 HB3 ASN A 49 15.462 -14.305 1.421 1.00 0.00 H new ATOM 0 HD21 ASN A 49 18.524 -12.545 1.460 1.00 0.00 H new ATOM 0 HD22 ASN A 49 17.705 -14.097 1.256 1.00 0.00 H new ATOM 733 N ASN A 50 12.625 -12.014 0.282 1.00 0.00 N ATOM 734 CA ASN A 50 12.323 -11.585 -1.071 1.00 0.00 C ATOM 735 C ASN A 50 11.615 -10.241 -1.030 1.00 0.00 C ATOM 736 O ASN A 50 11.295 -9.739 0.047 1.00 0.00 O ATOM 737 CB ASN A 50 11.458 -12.643 -1.778 1.00 0.00 C ATOM 738 CG ASN A 50 11.378 -12.436 -3.280 1.00 0.00 C ATOM 739 OD1 ASN A 50 12.258 -11.817 -3.882 1.00 0.00 O ATOM 740 ND2 ASN A 50 10.334 -12.969 -3.896 1.00 0.00 N ATOM 0 H ASN A 50 11.807 -12.141 0.879 1.00 0.00 H new ATOM 0 HA ASN A 50 13.249 -11.473 -1.635 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.866 -13.633 -1.574 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.452 -12.621 -1.359 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.236 -12.875 -4.907 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.628 -13.474 -3.360 1.00 0.00 H new ATOM 747 N GLY A 51 11.369 -9.654 -2.188 1.00 0.00 N ATOM 748 CA GLY A 51 10.709 -8.378 -2.216 1.00 0.00 C ATOM 749 C GLY A 51 9.732 -8.265 -3.364 1.00 0.00 C ATOM 750 O GLY A 51 10.021 -7.634 -4.382 1.00 0.00 O ATOM 0 H GLY A 51 11.614 -10.038 -3.101 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.181 -8.223 -1.275 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.455 -7.587 -2.297 1.00 0.00 H new ATOM 754 N ASN A 52 8.579 -8.887 -3.196 1.00 0.00 N ATOM 755 CA ASN A 52 7.545 -8.906 -4.227 1.00 0.00 C ATOM 756 C ASN A 52 6.744 -7.610 -4.239 1.00 0.00 C ATOM 757 O ASN A 52 5.766 -7.450 -3.489 1.00 0.00 O ATOM 758 CB ASN A 52 6.620 -10.104 -4.026 1.00 0.00 C ATOM 759 CG ASN A 52 7.263 -11.398 -4.480 1.00 0.00 C ATOM 760 OD1 ASN A 52 7.981 -11.428 -5.479 1.00 0.00 O ATOM 761 ND2 ASN A 52 7.039 -12.467 -3.737 1.00 0.00 N ATOM 0 H ASN A 52 8.329 -9.393 -2.346 1.00 0.00 H new ATOM 0 HA ASN A 52 8.039 -8.998 -5.194 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.352 -10.182 -2.972 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.695 -9.945 -4.580 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.468 -13.359 -3.984 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.437 -12.401 -2.916 1.00 0.00 H new ATOM 768 N ILE A 53 7.160 -6.696 -5.108 1.00 0.00 N ATOM 769 CA ILE A 53 6.543 -5.386 -5.202 1.00 0.00 C ATOM 770 C ILE A 53 5.731 -5.257 -6.479 1.00 0.00 C ATOM 771 O ILE A 53 6.095 -5.786 -7.533 1.00 0.00 O ATOM 772 CB ILE A 53 7.602 -4.247 -5.117 1.00 0.00 C ATOM 773 CG1 ILE A 53 6.968 -2.851 -5.281 1.00 0.00 C ATOM 774 CG2 ILE A 53 8.689 -4.454 -6.153 1.00 0.00 C ATOM 775 CD1 ILE A 53 6.921 -2.330 -6.709 1.00 0.00 C ATOM 0 H ILE A 53 7.929 -6.844 -5.761 1.00 0.00 H new ATOM 0 HA ILE A 53 5.870 -5.284 -4.351 1.00 0.00 H new ATOM 0 HB ILE A 53 8.043 -4.291 -4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.952 -2.882 -4.888 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.525 -2.141 -4.669 1.00 0.00 H new ATOM 0 HG21 ILE A 53 9.420 -3.649 -6.079 1.00 0.00 H new ATOM 0 HG22 ILE A 53 9.183 -5.410 -5.977 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.247 -4.452 -7.149 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.458 -1.343 -6.721 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.934 -2.261 -7.105 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.337 -3.012 -7.326 1.00 0.00 H new ATOM 787 N ILE A 54 4.614 -4.573 -6.352 1.00 0.00 N ATOM 788 CA ILE A 54 3.784 -4.222 -7.483 1.00 0.00 C ATOM 789 C ILE A 54 3.355 -2.767 -7.329 1.00 0.00 C ATOM 790 O ILE A 54 2.802 -2.372 -6.300 1.00 0.00 O ATOM 791 CB ILE A 54 2.568 -5.171 -7.616 1.00 0.00 C ATOM 792 CG1 ILE A 54 1.724 -4.812 -8.835 1.00 0.00 C ATOM 793 CG2 ILE A 54 1.714 -5.145 -6.361 1.00 0.00 C ATOM 794 CD1 ILE A 54 0.667 -5.850 -9.147 1.00 0.00 C ATOM 0 H ILE A 54 4.255 -4.243 -5.456 1.00 0.00 H new ATOM 0 HA ILE A 54 4.354 -4.336 -8.405 1.00 0.00 H new ATOM 0 HB ILE A 54 2.954 -6.182 -7.749 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.242 -3.849 -8.666 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.376 -4.694 -9.700 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.867 -5.821 -6.483 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.312 -5.463 -5.507 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.348 -4.132 -6.191 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.099 -5.539 -10.024 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.146 -6.809 -9.346 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.006 -5.951 -8.296 1.00 0.00 H new ATOM 806 N ALA A 55 3.672 -1.957 -8.322 1.00 0.00 N ATOM 807 CA ALA A 55 3.495 -0.522 -8.204 1.00 0.00 C ATOM 808 C ALA A 55 2.022 -0.125 -8.281 1.00 0.00 C ATOM 809 O ALA A 55 1.279 -0.606 -9.137 1.00 0.00 O ATOM 810 CB ALA A 55 4.294 0.198 -9.274 1.00 0.00 C ATOM 0 H ALA A 55 4.052 -2.267 -9.216 1.00 0.00 H new ATOM 0 HA ALA A 55 3.865 -0.224 -7.223 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.151 1.274 -9.173 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.352 -0.040 -9.160 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.954 -0.122 -10.259 1.00 0.00 H new ATOM 816 N ALA A 56 1.617 0.750 -7.375 1.00 0.00 N ATOM 817 CA ALA A 56 0.263 1.285 -7.361 1.00 0.00 C ATOM 818 C ALA A 56 0.209 2.570 -8.184 1.00 0.00 C ATOM 819 O ALA A 56 1.250 3.152 -8.492 1.00 0.00 O ATOM 820 CB ALA A 56 -0.175 1.547 -5.926 1.00 0.00 C ATOM 0 H ALA A 56 2.214 1.109 -6.630 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.419 0.559 -7.803 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.189 1.947 -5.922 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.151 0.614 -5.362 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.501 2.267 -5.465 1.00 0.00 H new ATOM 826 N SER A 57 -0.986 3.021 -8.534 1.00 0.00 N ATOM 827 CA SER A 57 -1.122 4.202 -9.361 1.00 0.00 C ATOM 828 C SER A 57 -2.080 5.186 -8.711 1.00 0.00 C ATOM 829 O SER A 57 -3.090 4.797 -8.128 1.00 0.00 O ATOM 830 CB SER A 57 -1.614 3.812 -10.758 1.00 0.00 C ATOM 831 OG SER A 57 -1.433 4.875 -11.680 1.00 0.00 O ATOM 0 H SER A 57 -1.868 2.588 -8.259 1.00 0.00 H new ATOM 0 HA SER A 57 -0.148 4.682 -9.459 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.074 2.931 -11.104 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.669 3.542 -10.713 1.00 0.00 H new ATOM 0 HG SER A 57 -1.754 4.599 -12.564 1.00 0.00 H new ATOM 837 N PHE A 58 -1.745 6.459 -8.792 1.00 0.00 N ATOM 838 CA PHE A 58 -2.577 7.501 -8.242 1.00 0.00 C ATOM 839 C PHE A 58 -3.841 7.675 -9.075 1.00 0.00 C ATOM 840 O PHE A 58 -3.835 7.485 -10.293 1.00 0.00 O ATOM 841 CB PHE A 58 -1.802 8.814 -8.131 1.00 0.00 C ATOM 842 CG PHE A 58 -1.339 9.350 -9.445 1.00 0.00 C ATOM 843 CD1 PHE A 58 -2.219 10.031 -10.250 1.00 0.00 C ATOM 844 CD2 PHE A 58 -0.035 9.167 -9.879 1.00 0.00 C ATOM 845 CE1 PHE A 58 -1.827 10.520 -11.462 1.00 0.00 C ATOM 846 CE2 PHE A 58 0.371 9.661 -11.104 1.00 0.00 C ATOM 847 CZ PHE A 58 -0.530 10.341 -11.899 1.00 0.00 C ATOM 0 H PHE A 58 -0.892 6.795 -9.239 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.876 7.206 -7.236 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.434 9.559 -7.647 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.937 8.662 -7.485 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.236 10.182 -9.919 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.668 8.635 -9.255 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.535 11.050 -12.082 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.388 9.516 -11.438 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.222 10.731 -12.858 1.00 0.00 H new ATOM 857 N SER A 59 -4.930 8.002 -8.403 1.00 0.00 N ATOM 858 CA SER A 59 -6.203 8.213 -9.061 1.00 0.00 C ATOM 859 C SER A 59 -6.541 9.697 -9.071 1.00 0.00 C ATOM 860 O SER A 59 -6.986 10.233 -10.085 1.00 0.00 O ATOM 861 CB SER A 59 -7.305 7.420 -8.352 1.00 0.00 C ATOM 862 OG SER A 59 -8.535 7.494 -9.055 1.00 0.00 O ATOM 0 H SER A 59 -4.956 8.128 -7.391 1.00 0.00 H new ATOM 0 HA SER A 59 -6.132 7.861 -10.090 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.001 6.377 -8.258 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.439 7.805 -7.341 1.00 0.00 H new ATOM 0 HG SER A 59 -9.216 6.977 -8.577 1.00 0.00 H new ATOM 868 N GLY A 60 -6.334 10.355 -7.937 1.00 0.00 N ATOM 869 CA GLY A 60 -6.573 11.781 -7.860 1.00 0.00 C ATOM 870 C GLY A 60 -6.454 12.299 -6.444 1.00 0.00 C ATOM 871 O GLY A 60 -6.338 11.507 -5.512 1.00 0.00 O ATOM 0 H GLY A 60 -6.006 9.927 -7.072 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.860 12.303 -8.498 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.568 12.003 -8.245 1.00 0.00 H new ATOM 875 N PRO A 61 -6.459 13.626 -6.253 1.00 0.00 N ATOM 876 CA PRO A 61 -6.414 14.237 -4.924 1.00 0.00 C ATOM 877 C PRO A 61 -7.717 14.022 -4.161 1.00 0.00 C ATOM 878 O PRO A 61 -8.805 14.086 -4.740 1.00 0.00 O ATOM 879 CB PRO A 61 -6.201 15.733 -5.208 1.00 0.00 C ATOM 880 CG PRO A 61 -5.835 15.815 -6.653 1.00 0.00 C ATOM 881 CD PRO A 61 -6.499 14.644 -7.311 1.00 0.00 C ATOM 0 HA PRO A 61 -5.631 13.802 -4.303 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.105 16.305 -4.999 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.411 16.144 -4.579 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.176 16.754 -7.090 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.754 15.776 -6.785 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.520 14.874 -7.616 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.964 14.323 -8.205 1.00 0.00 H new ATOM 889 N ILE A 62 -7.602 13.766 -2.866 1.00 0.00 N ATOM 890 CA ILE A 62 -8.768 13.508 -2.034 1.00 0.00 C ATOM 891 C ILE A 62 -9.456 14.817 -1.678 1.00 0.00 C ATOM 892 O ILE A 62 -8.957 15.588 -0.857 1.00 0.00 O ATOM 893 CB ILE A 62 -8.386 12.769 -0.735 1.00 0.00 C ATOM 894 CG1 ILE A 62 -7.539 11.544 -1.050 1.00 0.00 C ATOM 895 CG2 ILE A 62 -9.629 12.349 0.028 1.00 0.00 C ATOM 896 CD1 ILE A 62 -7.160 10.747 0.170 1.00 0.00 C ATOM 0 H ILE A 62 -6.712 13.731 -2.368 1.00 0.00 H new ATOM 0 HA ILE A 62 -9.445 12.874 -2.607 1.00 0.00 H new ATOM 0 HB ILE A 62 -7.807 13.453 -0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.086 10.901 -1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.631 11.862 -1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.337 11.829 0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.214 13.232 0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -10.229 11.683 -0.592 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.557 9.889 -0.129 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.585 11.375 0.851 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.063 10.399 0.672 1.00 0.00 H new ATOM 908 N SER A 63 -10.592 15.071 -2.303 1.00 0.00 N ATOM 909 CA SER A 63 -11.324 16.298 -2.065 1.00 0.00 C ATOM 910 C SER A 63 -11.846 16.343 -0.634 1.00 0.00 C ATOM 911 O SER A 63 -12.653 15.505 -0.217 1.00 0.00 O ATOM 912 CB SER A 63 -12.467 16.428 -3.066 1.00 0.00 C ATOM 913 OG SER A 63 -11.963 16.440 -4.390 1.00 0.00 O ATOM 0 H SER A 63 -11.026 14.443 -2.979 1.00 0.00 H new ATOM 0 HA SER A 63 -10.648 17.142 -2.201 1.00 0.00 H new ATOM 0 HB2 SER A 63 -13.164 15.599 -2.942 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.025 17.344 -2.874 1.00 0.00 H new ATOM 0 HG SER A 63 -12.707 16.522 -5.023 1.00 0.00 H new ATOM 919 N GLY A 64 -11.366 17.321 0.115 1.00 0.00 N ATOM 920 CA GLY A 64 -11.764 17.466 1.497 1.00 0.00 C ATOM 921 C GLY A 64 -10.584 17.405 2.448 1.00 0.00 C ATOM 922 O GLY A 64 -10.708 17.761 3.620 1.00 0.00 O ATOM 0 H GLY A 64 -10.702 18.023 -0.213 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.282 18.417 1.625 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.474 16.679 1.752 1.00 0.00 H new ATOM 926 N SER A 65 -9.441 16.940 1.958 1.00 0.00 N ATOM 927 CA SER A 65 -8.240 16.846 2.783 1.00 0.00 C ATOM 928 C SER A 65 -6.987 17.007 1.931 1.00 0.00 C ATOM 929 O SER A 65 -7.037 16.903 0.705 1.00 0.00 O ATOM 930 CB SER A 65 -8.195 15.501 3.509 1.00 0.00 C ATOM 931 OG SER A 65 -9.401 15.268 4.217 1.00 0.00 O ATOM 0 H SER A 65 -9.319 16.623 0.996 1.00 0.00 H new ATOM 0 HA SER A 65 -8.273 17.650 3.519 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.031 14.700 2.789 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.353 15.485 4.201 1.00 0.00 H new ATOM 0 HG SER A 65 -9.351 14.402 4.672 1.00 0.00 H new ATOM 937 N ASN A 66 -5.867 17.252 2.587 1.00 0.00 N ATOM 938 CA ASN A 66 -4.595 17.428 1.898 1.00 0.00 C ATOM 939 C ASN A 66 -3.902 16.074 1.756 1.00 0.00 C ATOM 940 O ASN A 66 -2.822 15.842 2.309 1.00 0.00 O ATOM 941 CB ASN A 66 -3.711 18.419 2.666 1.00 0.00 C ATOM 942 CG ASN A 66 -2.582 18.993 1.824 1.00 0.00 C ATOM 943 OD1 ASN A 66 -2.073 18.352 0.907 1.00 0.00 O ATOM 944 ND2 ASN A 66 -2.183 20.217 2.136 1.00 0.00 N ATOM 0 H ASN A 66 -5.810 17.335 3.602 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.772 17.836 0.903 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.330 19.236 3.037 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.288 17.919 3.537 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.430 20.658 1.608 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.629 20.719 2.904 1.00 0.00 H new ATOM 951 N TYR A 67 -4.566 15.181 1.034 1.00 0.00 N ATOM 952 CA TYR A 67 -4.078 13.827 0.788 1.00 0.00 C ATOM 953 C TYR A 67 -4.343 13.448 -0.662 1.00 0.00 C ATOM 954 O TYR A 67 -5.068 14.148 -1.373 1.00 0.00 O ATOM 955 CB TYR A 67 -4.786 12.824 1.710 1.00 0.00 C ATOM 956 CG TYR A 67 -3.972 12.378 2.909 1.00 0.00 C ATOM 957 CD1 TYR A 67 -3.434 13.291 3.799 1.00 0.00 C ATOM 958 CD2 TYR A 67 -3.751 11.030 3.148 1.00 0.00 C ATOM 959 CE1 TYR A 67 -2.696 12.877 4.894 1.00 0.00 C ATOM 960 CE2 TYR A 67 -3.017 10.603 4.237 1.00 0.00 C ATOM 961 CZ TYR A 67 -2.490 11.529 5.108 1.00 0.00 C ATOM 962 OH TYR A 67 -1.753 11.109 6.191 1.00 0.00 O ATOM 0 H TYR A 67 -5.467 15.376 0.598 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.007 13.799 0.991 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.715 13.271 2.065 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.058 11.945 1.126 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.593 14.347 3.636 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.162 10.298 2.468 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.284 13.605 5.577 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.857 9.548 4.404 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.705 10.130 6.194 1.00 0.00 H new ATOM 972 N GLU A 68 -3.770 12.338 -1.093 1.00 0.00 N ATOM 973 CA GLU A 68 -3.983 11.851 -2.445 1.00 0.00 C ATOM 974 C GLU A 68 -4.561 10.440 -2.387 1.00 0.00 C ATOM 975 O GLU A 68 -4.587 9.825 -1.318 1.00 0.00 O ATOM 976 CB GLU A 68 -2.674 11.900 -3.231 1.00 0.00 C ATOM 977 CG GLU A 68 -2.857 11.883 -4.733 1.00 0.00 C ATOM 978 CD GLU A 68 -1.580 12.239 -5.457 1.00 0.00 C ATOM 979 OE1 GLU A 68 -0.767 11.335 -5.723 1.00 0.00 O ATOM 980 OE2 GLU A 68 -1.361 13.439 -5.726 1.00 0.00 O ATOM 0 H GLU A 68 -3.153 11.756 -0.526 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.698 12.489 -2.965 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.128 12.801 -2.952 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.056 11.050 -2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.190 10.894 -5.048 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.641 12.587 -5.012 1.00 0.00 H new ATOM 987 N TYR A 69 -4.977 9.906 -3.526 1.00 0.00 N ATOM 988 CA TYR A 69 -5.844 8.743 -3.537 1.00 0.00 C ATOM 989 C TYR A 69 -5.412 7.824 -4.647 1.00 0.00 C ATOM 990 O TYR A 69 -5.354 8.218 -5.810 1.00 0.00 O ATOM 991 CB TYR A 69 -7.313 9.140 -3.712 1.00 0.00 C ATOM 992 CG TYR A 69 -8.267 8.103 -3.171 1.00 0.00 C ATOM 993 CD1 TYR A 69 -7.926 7.374 -2.045 1.00 0.00 C ATOM 994 CD2 TYR A 69 -9.497 7.856 -3.767 1.00 0.00 C ATOM 995 CE1 TYR A 69 -8.776 6.422 -1.523 1.00 0.00 C ATOM 996 CE2 TYR A 69 -10.359 6.903 -3.250 1.00 0.00 C ATOM 997 CZ TYR A 69 -9.990 6.187 -2.128 1.00 0.00 C ATOM 998 OH TYR A 69 -10.840 5.238 -1.605 1.00 0.00 O ATOM 0 H TYR A 69 -4.728 10.260 -4.450 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.760 8.232 -2.578 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.491 10.089 -3.207 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.518 9.299 -4.771 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -6.975 7.554 -1.566 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.785 8.414 -4.645 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.491 5.863 -0.644 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -11.314 6.721 -3.721 1.00 0.00 H new ATOM 0 HH TYR A 69 -10.560 5.015 -0.693 1.00 0.00 H new ATOM 1008 N TRP A 70 -5.088 6.609 -4.276 1.00 0.00 N ATOM 1009 CA TRP A 70 -4.372 5.721 -5.150 1.00 0.00 C ATOM 1010 C TRP A 70 -5.181 4.460 -5.385 1.00 0.00 C ATOM 1011 O TRP A 70 -5.868 4.002 -4.486 1.00 0.00 O ATOM 1012 CB TRP A 70 -3.035 5.402 -4.486 1.00 0.00 C ATOM 1013 CG TRP A 70 -2.314 6.627 -3.972 1.00 0.00 C ATOM 1014 CD1 TRP A 70 -2.709 7.479 -3.000 1.00 0.00 C ATOM 1015 CD2 TRP A 70 -1.059 7.105 -4.395 1.00 0.00 C ATOM 1016 NE1 TRP A 70 -1.774 8.465 -2.840 1.00 0.00 N ATOM 1017 CE2 TRP A 70 -0.747 8.244 -3.672 1.00 0.00 C ATOM 1018 CE3 TRP A 70 -0.198 6.664 -5.315 1.00 0.00 C ATOM 1019 CZ2 TRP A 70 0.432 8.951 -3.854 1.00 0.00 C ATOM 1020 CZ3 TRP A 70 0.989 7.329 -5.523 1.00 0.00 C ATOM 1021 CH2 TRP A 70 1.298 8.474 -4.784 1.00 0.00 C ATOM 0 H TRP A 70 -5.313 6.212 -3.364 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.201 6.183 -6.122 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.204 4.714 -3.657 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -2.395 4.887 -5.203 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.625 7.394 -2.434 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -1.847 9.247 -2.189 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.433 5.785 -5.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 0.651 9.840 -3.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 1.686 6.963 -6.262 1.00 0.00 H new ATOM 0 HH2 TRP A 70 2.235 8.984 -4.954 1.00 0.00 H new ATOM 1032 N THR A 71 -5.107 3.908 -6.586 1.00 0.00 N ATOM 1033 CA THR A 71 -5.875 2.718 -6.932 1.00 0.00 C ATOM 1034 C THR A 71 -5.094 1.833 -7.894 1.00 0.00 C ATOM 1035 O THR A 71 -4.229 2.324 -8.625 1.00 0.00 O ATOM 1036 CB THR A 71 -7.221 3.083 -7.600 1.00 0.00 C ATOM 1037 OG1 THR A 71 -7.009 4.039 -8.649 1.00 0.00 O ATOM 1038 CG2 THR A 71 -8.217 3.645 -6.597 1.00 0.00 C ATOM 0 H THR A 71 -4.521 4.265 -7.341 1.00 0.00 H new ATOM 0 HA THR A 71 -6.066 2.187 -6.000 1.00 0.00 H new ATOM 0 HB THR A 71 -7.638 2.165 -8.014 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.867 4.262 -9.067 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.149 3.888 -7.107 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.411 2.903 -5.822 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.806 4.546 -6.142 1.00 0.00 H new ATOM 1046 N PHE A 72 -5.379 0.536 -7.874 1.00 0.00 N ATOM 1047 CA PHE A 72 -4.896 -0.359 -8.913 1.00 0.00 C ATOM 1048 C PHE A 72 -5.496 -1.756 -8.762 1.00 0.00 C ATOM 1049 O PHE A 72 -5.913 -2.158 -7.674 1.00 0.00 O ATOM 1050 CB PHE A 72 -3.356 -0.442 -8.924 1.00 0.00 C ATOM 1051 CG PHE A 72 -2.780 -1.426 -7.944 1.00 0.00 C ATOM 1052 CD1 PHE A 72 -2.871 -1.212 -6.580 1.00 0.00 C ATOM 1053 CD2 PHE A 72 -2.143 -2.569 -8.398 1.00 0.00 C ATOM 1054 CE1 PHE A 72 -2.344 -2.122 -5.685 1.00 0.00 C ATOM 1055 CE2 PHE A 72 -1.613 -3.481 -7.509 1.00 0.00 C ATOM 1056 CZ PHE A 72 -1.712 -3.258 -6.152 1.00 0.00 C ATOM 0 H PHE A 72 -5.940 0.084 -7.152 1.00 0.00 H new ATOM 0 HA PHE A 72 -5.220 0.058 -9.867 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.026 -0.711 -9.927 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.949 0.546 -8.709 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.360 -0.323 -6.211 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.060 -2.748 -9.460 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.426 -1.946 -4.623 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.121 -4.369 -7.876 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.296 -3.971 -5.455 1.00 0.00 H new ATOM 1066 N SER A 73 -5.546 -2.486 -9.865 1.00 0.00 N ATOM 1067 CA SER A 73 -6.000 -3.866 -9.849 1.00 0.00 C ATOM 1068 C SER A 73 -4.832 -4.790 -10.164 1.00 0.00 C ATOM 1069 O SER A 73 -3.954 -4.447 -10.957 1.00 0.00 O ATOM 1070 CB SER A 73 -7.126 -4.073 -10.861 1.00 0.00 C ATOM 1071 OG SER A 73 -8.194 -3.170 -10.627 1.00 0.00 O ATOM 0 H SER A 73 -5.276 -2.143 -10.787 1.00 0.00 H new ATOM 0 HA SER A 73 -6.386 -4.100 -8.857 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.742 -3.933 -11.871 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.492 -5.098 -10.798 1.00 0.00 H new ATOM 0 HG SER A 73 -8.901 -3.321 -11.288 1.00 0.00 H new ATOM 1077 N ALA A 74 -4.826 -5.954 -9.544 1.00 0.00 N ATOM 1078 CA ALA A 74 -3.717 -6.882 -9.678 1.00 0.00 C ATOM 1079 C ALA A 74 -4.208 -8.311 -9.847 1.00 0.00 C ATOM 1080 O ALA A 74 -5.217 -8.705 -9.267 1.00 0.00 O ATOM 1081 CB ALA A 74 -2.822 -6.792 -8.455 1.00 0.00 C ATOM 0 H ALA A 74 -5.580 -6.282 -8.940 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.153 -6.608 -10.570 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.991 -7.490 -8.560 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.434 -5.778 -8.362 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.397 -7.044 -7.564 1.00 0.00 H new ATOM 1087 N SER A 75 -3.499 -9.090 -10.638 1.00 0.00 N ATOM 1088 CA SER A 75 -3.807 -10.498 -10.748 1.00 0.00 C ATOM 1089 C SER A 75 -2.839 -11.277 -9.880 1.00 0.00 C ATOM 1090 O SER A 75 -1.698 -11.526 -10.273 1.00 0.00 O ATOM 1091 CB SER A 75 -3.704 -10.958 -12.203 1.00 0.00 C ATOM 1092 OG SER A 75 -4.138 -12.301 -12.349 1.00 0.00 O ATOM 0 H SER A 75 -2.714 -8.775 -11.208 1.00 0.00 H new ATOM 0 HA SER A 75 -4.829 -10.675 -10.412 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.307 -10.307 -12.836 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.673 -10.867 -12.544 1.00 0.00 H new ATOM 0 HG SER A 75 -4.093 -12.558 -13.294 1.00 0.00 H new ATOM 1098 N VAL A 76 -3.286 -11.648 -8.693 1.00 0.00 N ATOM 1099 CA VAL A 76 -2.434 -12.387 -7.783 1.00 0.00 C ATOM 1100 C VAL A 76 -2.845 -13.850 -7.792 1.00 0.00 C ATOM 1101 O VAL A 76 -4.030 -14.174 -7.826 1.00 0.00 O ATOM 1102 CB VAL A 76 -2.463 -11.814 -6.342 1.00 0.00 C ATOM 1103 CG1 VAL A 76 -2.300 -10.313 -6.363 1.00 0.00 C ATOM 1104 CG2 VAL A 76 -3.730 -12.178 -5.612 1.00 0.00 C ATOM 0 H VAL A 76 -4.223 -11.452 -8.341 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.405 -12.289 -8.129 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.627 -12.262 -5.805 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.323 -9.930 -5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.347 -10.057 -6.825 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.113 -9.867 -6.936 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.705 -11.755 -4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.589 -11.780 -6.153 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.814 -13.263 -5.547 1.00 0.00 H new ATOM 1114 N LYS A 77 -1.859 -14.725 -7.792 1.00 0.00 N ATOM 1115 CA LYS A 77 -2.103 -16.152 -7.936 1.00 0.00 C ATOM 1116 C LYS A 77 -2.009 -16.839 -6.587 1.00 0.00 C ATOM 1117 O LYS A 77 -2.379 -18.002 -6.435 1.00 0.00 O ATOM 1118 CB LYS A 77 -1.101 -16.780 -8.916 1.00 0.00 C ATOM 1119 CG LYS A 77 -1.298 -16.373 -10.375 1.00 0.00 C ATOM 1120 CD LYS A 77 -0.945 -14.913 -10.623 1.00 0.00 C ATOM 1121 CE LYS A 77 -1.113 -14.539 -12.086 1.00 0.00 C ATOM 1122 NZ LYS A 77 -2.531 -14.605 -12.527 1.00 0.00 N ATOM 0 H LYS A 77 -0.875 -14.474 -7.694 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.108 -16.288 -8.335 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.092 -16.505 -8.609 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.172 -17.865 -8.842 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.681 -17.006 -11.013 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.335 -16.547 -10.661 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.580 -14.275 -10.008 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.085 -14.729 -10.316 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.732 -13.531 -12.247 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.512 -15.209 -12.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.568 -14.781 -13.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.015 -15.376 -12.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.003 -13.703 -12.314 1.00 0.00 H new ATOM 1136 N GLY A 78 -1.509 -16.108 -5.611 1.00 0.00 N ATOM 1137 CA GLY A 78 -1.366 -16.639 -4.279 1.00 0.00 C ATOM 1138 C GLY A 78 -0.781 -15.612 -3.345 1.00 0.00 C ATOM 1139 O GLY A 78 0.403 -15.292 -3.430 1.00 0.00 O ATOM 0 H GLY A 78 -1.196 -15.143 -5.720 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.338 -16.962 -3.907 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.725 -17.520 -4.303 1.00 0.00 H new ATOM 1143 N ILE A 79 -1.617 -15.067 -2.482 1.00 0.00 N ATOM 1144 CA ILE A 79 -1.191 -14.075 -1.529 1.00 0.00 C ATOM 1145 C ILE A 79 -1.645 -14.476 -0.133 1.00 0.00 C ATOM 1146 O ILE A 79 -2.566 -15.278 0.019 1.00 0.00 O ATOM 1147 CB ILE A 79 -1.769 -12.704 -1.914 1.00 0.00 C ATOM 1148 CG1 ILE A 79 -1.388 -11.621 -0.919 1.00 0.00 C ATOM 1149 CG2 ILE A 79 -3.281 -12.779 -2.039 1.00 0.00 C ATOM 1150 CD1 ILE A 79 -1.904 -10.266 -1.323 1.00 0.00 C ATOM 0 H ILE A 79 -2.608 -15.303 -2.426 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.103 -14.007 -1.535 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.337 -12.436 -2.878 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.782 -11.879 0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.303 -11.581 -0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.673 -11.799 -2.312 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.547 -13.503 -2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.710 -13.088 -1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.605 -9.527 -0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.489 -9.993 -2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.992 -10.296 -1.389 1.00 0.00 H new ATOM 1162 N LYS A 80 -0.983 -13.939 0.873 1.00 0.00 N ATOM 1163 CA LYS A 80 -1.298 -14.276 2.252 1.00 0.00 C ATOM 1164 C LYS A 80 -1.057 -13.090 3.181 1.00 0.00 C ATOM 1165 O LYS A 80 -1.873 -12.804 4.054 1.00 0.00 O ATOM 1166 CB LYS A 80 -0.454 -15.478 2.693 1.00 0.00 C ATOM 1167 CG LYS A 80 -0.760 -16.001 4.091 1.00 0.00 C ATOM 1168 CD LYS A 80 -2.167 -16.586 4.204 1.00 0.00 C ATOM 1169 CE LYS A 80 -3.192 -15.549 4.644 1.00 0.00 C ATOM 1170 NZ LYS A 80 -2.895 -15.003 5.997 1.00 0.00 N ATOM 0 H LYS A 80 -0.223 -13.267 0.764 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.355 -14.534 2.311 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.601 -16.288 1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.599 -15.200 2.648 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.030 -16.766 4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.649 -15.190 4.811 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.464 -17.001 3.241 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.159 -17.410 4.917 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.214 -14.733 3.922 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.184 -16.000 4.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.767 -14.624 6.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.519 -15.761 6.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.190 -14.242 5.917 1.00 0.00 H new ATOM 1184 N GLU A 81 0.043 -12.381 2.971 1.00 0.00 N ATOM 1185 CA GLU A 81 0.467 -11.335 3.909 1.00 0.00 C ATOM 1186 C GLU A 81 0.883 -10.110 3.128 1.00 0.00 C ATOM 1187 O GLU A 81 1.077 -10.221 1.929 1.00 0.00 O ATOM 1188 CB GLU A 81 1.656 -11.818 4.738 1.00 0.00 C ATOM 1189 CG GLU A 81 1.438 -13.158 5.409 1.00 0.00 C ATOM 1190 CD GLU A 81 0.436 -13.081 6.538 1.00 0.00 C ATOM 1191 OE1 GLU A 81 0.757 -12.461 7.572 1.00 0.00 O ATOM 1192 OE2 GLU A 81 -0.669 -13.643 6.406 1.00 0.00 O ATOM 0 H GLU A 81 0.659 -12.505 2.167 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.363 -11.098 4.575 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.532 -11.885 4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.879 -11.073 5.502 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.093 -13.880 4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.388 -13.527 5.795 1.00 0.00 H new ATOM 1199 N PHE A 82 1.010 -8.943 3.767 1.00 0.00 N ATOM 1200 CA PHE A 82 1.579 -7.799 3.062 1.00 0.00 C ATOM 1201 C PHE A 82 1.808 -6.595 3.955 1.00 0.00 C ATOM 1202 O PHE A 82 1.527 -6.613 5.150 1.00 0.00 O ATOM 1203 CB PHE A 82 0.701 -7.379 1.874 1.00 0.00 C ATOM 1204 CG PHE A 82 -0.612 -6.754 2.244 1.00 0.00 C ATOM 1205 CD1 PHE A 82 -1.700 -7.540 2.574 1.00 0.00 C ATOM 1206 CD2 PHE A 82 -0.756 -5.378 2.251 1.00 0.00 C ATOM 1207 CE1 PHE A 82 -2.907 -6.964 2.905 1.00 0.00 C ATOM 1208 CE2 PHE A 82 -1.960 -4.796 2.581 1.00 0.00 C ATOM 1209 CZ PHE A 82 -3.036 -5.590 2.910 1.00 0.00 C ATOM 0 H PHE A 82 0.737 -8.771 4.735 1.00 0.00 H new ATOM 0 HA PHE A 82 2.551 -8.139 2.704 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.261 -6.674 1.259 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.507 -8.256 1.257 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.603 -8.616 2.572 1.00 0.00 H new ATOM 0 HD2 PHE A 82 0.086 -4.752 1.995 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.751 -7.587 3.160 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.060 -3.721 2.582 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.981 -5.137 3.172 1.00 0.00 H new ATOM 1219 N TYR A 83 2.346 -5.566 3.322 1.00 0.00 N ATOM 1220 CA TYR A 83 2.426 -4.223 3.864 1.00 0.00 C ATOM 1221 C TYR A 83 2.737 -3.278 2.714 1.00 0.00 C ATOM 1222 O TYR A 83 3.424 -3.662 1.773 1.00 0.00 O ATOM 1223 CB TYR A 83 3.465 -4.109 4.986 1.00 0.00 C ATOM 1224 CG TYR A 83 4.711 -4.943 4.801 1.00 0.00 C ATOM 1225 CD1 TYR A 83 5.588 -4.686 3.770 1.00 0.00 C ATOM 1226 CD2 TYR A 83 5.013 -5.975 5.678 1.00 0.00 C ATOM 1227 CE1 TYR A 83 6.738 -5.438 3.606 1.00 0.00 C ATOM 1228 CE2 TYR A 83 6.155 -6.731 5.524 1.00 0.00 C ATOM 1229 CZ TYR A 83 7.016 -6.458 4.486 1.00 0.00 C ATOM 1230 OH TYR A 83 8.158 -7.208 4.327 1.00 0.00 O ATOM 0 H TYR A 83 2.751 -5.646 2.389 1.00 0.00 H new ATOM 0 HA TYR A 83 1.473 -3.958 4.323 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.759 -3.064 5.082 1.00 0.00 H new ATOM 0 HB3 TYR A 83 2.993 -4.395 5.926 1.00 0.00 H new ATOM 0 HD1 TYR A 83 5.374 -3.884 3.078 1.00 0.00 H new ATOM 0 HD2 TYR A 83 4.341 -6.190 6.496 1.00 0.00 H new ATOM 0 HE1 TYR A 83 7.414 -5.225 2.791 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.373 -7.533 6.214 1.00 0.00 H new ATOM 0 HH TYR A 83 7.943 -8.034 3.845 1.00 0.00 H new ATOM 1240 N ILE A 84 2.202 -2.072 2.742 1.00 0.00 N ATOM 1241 CA ILE A 84 2.378 -1.173 1.616 1.00 0.00 C ATOM 1242 C ILE A 84 3.423 -0.116 1.935 1.00 0.00 C ATOM 1243 O ILE A 84 3.448 0.436 3.038 1.00 0.00 O ATOM 1244 CB ILE A 84 1.049 -0.508 1.197 1.00 0.00 C ATOM 1245 CG1 ILE A 84 -0.024 -1.574 0.927 1.00 0.00 C ATOM 1246 CG2 ILE A 84 1.254 0.356 -0.035 1.00 0.00 C ATOM 1247 CD1 ILE A 84 0.432 -2.679 0.000 1.00 0.00 C ATOM 0 H ILE A 84 1.652 -1.697 3.515 1.00 0.00 H new ATOM 0 HA ILE A 84 2.726 -1.771 0.773 1.00 0.00 H new ATOM 0 HB ILE A 84 0.709 0.127 2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -0.333 -2.013 1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.902 -1.092 0.498 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.308 0.818 -0.317 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.986 1.134 0.184 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.616 -0.262 -0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.380 -3.393 -0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.714 -2.253 -0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.291 -3.189 0.436 1.00 0.00 H new ATOM 1259 N LYS A 85 4.294 0.155 0.971 1.00 0.00 N ATOM 1260 CA LYS A 85 5.382 1.060 1.177 1.00 0.00 C ATOM 1261 C LYS A 85 5.112 2.385 0.515 1.00 0.00 C ATOM 1262 O LYS A 85 4.486 2.466 -0.545 1.00 0.00 O ATOM 1263 CB LYS A 85 6.663 0.475 0.616 1.00 0.00 C ATOM 1264 CG LYS A 85 6.994 -0.893 1.165 1.00 0.00 C ATOM 1265 CD LYS A 85 8.408 -1.268 0.803 1.00 0.00 C ATOM 1266 CE LYS A 85 8.561 -1.591 -0.674 1.00 0.00 C ATOM 1267 NZ LYS A 85 9.974 -1.884 -1.024 1.00 0.00 N ATOM 0 H LYS A 85 4.254 -0.251 0.036 1.00 0.00 H new ATOM 0 HA LYS A 85 5.489 1.216 2.250 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.579 0.411 -0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.488 1.154 0.833 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.874 -0.897 2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.300 -1.632 0.765 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.077 -0.448 1.064 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.715 -2.130 1.395 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.937 -2.449 -0.926 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.204 -0.751 -1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.043 -2.100 -2.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.565 -1.056 -0.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.306 -2.701 -0.473 1.00 0.00 H new ATOM 1281 N TYR A 86 5.600 3.411 1.153 1.00 0.00 N ATOM 1282 CA TYR A 86 5.528 4.745 0.618 1.00 0.00 C ATOM 1283 C TYR A 86 6.922 5.169 0.196 1.00 0.00 C ATOM 1284 O TYR A 86 7.734 5.565 1.034 1.00 0.00 O ATOM 1285 CB TYR A 86 4.966 5.700 1.673 1.00 0.00 C ATOM 1286 CG TYR A 86 4.747 7.107 1.170 1.00 0.00 C ATOM 1287 CD1 TYR A 86 4.281 7.336 -0.111 1.00 0.00 C ATOM 1288 CD2 TYR A 86 5.008 8.203 1.976 1.00 0.00 C ATOM 1289 CE1 TYR A 86 4.087 8.610 -0.579 1.00 0.00 C ATOM 1290 CE2 TYR A 86 4.812 9.487 1.513 1.00 0.00 C ATOM 1291 CZ TYR A 86 4.353 9.683 0.230 1.00 0.00 C ATOM 1292 OH TYR A 86 4.177 10.956 -0.255 1.00 0.00 O ATOM 0 H TYR A 86 6.060 3.348 2.061 1.00 0.00 H new ATOM 0 HA TYR A 86 4.864 4.771 -0.246 1.00 0.00 H new ATOM 0 HB2 TYR A 86 4.019 5.304 2.040 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.649 5.730 2.522 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.066 6.496 -0.755 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.370 8.050 2.982 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.725 8.767 -1.584 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.017 10.333 2.152 1.00 0.00 H new ATOM 0 HH TYR A 86 3.259 11.250 -0.077 1.00 0.00 H new ATOM 1302 N GLU A 87 7.209 5.085 -1.095 1.00 0.00 N ATOM 1303 CA GLU A 87 8.535 5.364 -1.575 1.00 0.00 C ATOM 1304 C GLU A 87 8.522 6.658 -2.366 1.00 0.00 C ATOM 1305 O GLU A 87 7.782 6.814 -3.333 1.00 0.00 O ATOM 1306 CB GLU A 87 9.050 4.192 -2.408 1.00 0.00 C ATOM 1307 CG GLU A 87 10.520 4.302 -2.753 1.00 0.00 C ATOM 1308 CD GLU A 87 11.088 3.011 -3.305 1.00 0.00 C ATOM 1309 OE1 GLU A 87 11.295 2.060 -2.519 1.00 0.00 O ATOM 1310 OE2 GLU A 87 11.342 2.937 -4.523 1.00 0.00 O ATOM 0 H GLU A 87 6.538 4.826 -1.818 1.00 0.00 H new ATOM 0 HA GLU A 87 9.217 5.488 -0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.881 3.265 -1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.471 4.128 -3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.659 5.098 -3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.078 4.588 -1.861 1.00 0.00 H new ATOM 1317 N VAL A 88 9.309 7.599 -1.911 1.00 0.00 N ATOM 1318 CA VAL A 88 9.324 8.928 -2.470 1.00 0.00 C ATOM 1319 C VAL A 88 10.726 9.249 -2.958 1.00 0.00 C ATOM 1320 O VAL A 88 11.695 8.669 -2.474 1.00 0.00 O ATOM 1321 CB VAL A 88 8.873 9.935 -1.382 1.00 0.00 C ATOM 1322 CG1 VAL A 88 8.886 11.366 -1.883 1.00 0.00 C ATOM 1323 CG2 VAL A 88 7.483 9.557 -0.895 1.00 0.00 C ATOM 0 H VAL A 88 9.961 7.465 -1.138 1.00 0.00 H new ATOM 0 HA VAL A 88 8.640 8.995 -3.316 1.00 0.00 H new ATOM 0 HB VAL A 88 9.584 9.883 -0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.562 12.034 -1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.896 11.634 -2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.209 11.460 -2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.161 10.263 -0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.784 9.585 -1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.506 8.551 -0.475 1.00 0.00 H new ATOM 1333 N SER A 89 10.838 10.169 -3.907 1.00 0.00 N ATOM 1334 CA SER A 89 12.130 10.580 -4.432 1.00 0.00 C ATOM 1335 C SER A 89 12.816 11.521 -3.436 1.00 0.00 C ATOM 1336 O SER A 89 13.554 12.436 -3.804 1.00 0.00 O ATOM 1337 CB SER A 89 11.942 11.246 -5.793 1.00 0.00 C ATOM 1338 OG SER A 89 13.173 11.391 -6.480 1.00 0.00 O ATOM 0 H SER A 89 10.042 10.647 -4.330 1.00 0.00 H new ATOM 0 HA SER A 89 12.770 9.709 -4.568 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.256 10.652 -6.397 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.483 12.225 -5.659 1.00 0.00 H new ATOM 0 HG SER A 89 13.842 11.775 -5.875 1.00 0.00 H new ATOM 1344 N GLY A 90 12.536 11.276 -2.167 1.00 0.00 N ATOM 1345 CA GLY A 90 13.100 12.045 -1.087 1.00 0.00 C ATOM 1346 C GLY A 90 13.057 11.289 0.230 1.00 0.00 C ATOM 1347 O GLY A 90 13.944 11.441 1.068 1.00 0.00 O ATOM 0 H GLY A 90 11.907 10.533 -1.863 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.132 12.302 -1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 90 12.554 12.983 -0.985 1.00 0.00 H new ATOM 1351 N LYS A 91 12.020 10.471 0.415 1.00 0.00 N ATOM 1352 CA LYS A 91 11.862 9.689 1.638 1.00 0.00 C ATOM 1353 C LYS A 91 11.228 8.342 1.375 1.00 0.00 C ATOM 1354 O LYS A 91 10.888 7.996 0.248 1.00 0.00 O ATOM 1355 CB LYS A 91 10.991 10.425 2.650 1.00 0.00 C ATOM 1356 CG LYS A 91 11.778 11.254 3.643 1.00 0.00 C ATOM 1357 CD LYS A 91 12.453 10.395 4.711 1.00 0.00 C ATOM 1358 CE LYS A 91 11.456 9.512 5.450 1.00 0.00 C ATOM 1359 NZ LYS A 91 12.055 8.861 6.647 1.00 0.00 N ATOM 0 H LYS A 91 11.276 10.334 -0.269 1.00 0.00 H new ATOM 0 HA LYS A 91 12.867 9.544 2.034 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.299 11.076 2.115 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.389 9.698 3.194 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.535 11.830 3.112 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.111 11.970 4.124 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.214 9.770 4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.964 11.041 5.425 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.600 10.113 5.757 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.081 8.745 4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.339 8.271 7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.856 8.266 6.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.390 9.591 7.308 1.00 0.00 H new ATOM 1373 N THR A 92 11.089 7.593 2.446 1.00 0.00 N ATOM 1374 CA THR A 92 10.404 6.309 2.423 1.00 0.00 C ATOM 1375 C THR A 92 9.740 6.044 3.774 1.00 0.00 C ATOM 1376 O THR A 92 10.274 6.416 4.820 1.00 0.00 O ATOM 1377 CB THR A 92 11.365 5.147 2.097 1.00 0.00 C ATOM 1378 OG1 THR A 92 12.237 5.515 1.018 1.00 0.00 O ATOM 1379 CG2 THR A 92 10.596 3.889 1.707 1.00 0.00 C ATOM 0 H THR A 92 11.448 7.854 3.364 1.00 0.00 H new ATOM 0 HA THR A 92 9.651 6.360 1.637 1.00 0.00 H new ATOM 0 HB THR A 92 11.950 4.939 2.993 1.00 0.00 H new ATOM 0 HG1 THR A 92 12.844 4.772 0.820 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.300 3.087 1.483 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.952 3.586 2.532 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.986 4.093 0.827 1.00 0.00 H new ATOM 1387 N TYR A 93 8.573 5.423 3.740 1.00 0.00 N ATOM 1388 CA TYR A 93 7.859 5.040 4.956 1.00 0.00 C ATOM 1389 C TYR A 93 7.171 3.703 4.729 1.00 0.00 C ATOM 1390 O TYR A 93 7.345 3.069 3.686 1.00 0.00 O ATOM 1391 CB TYR A 93 6.791 6.072 5.362 1.00 0.00 C ATOM 1392 CG TYR A 93 7.251 7.504 5.401 1.00 0.00 C ATOM 1393 CD1 TYR A 93 7.273 8.235 4.244 1.00 0.00 C ATOM 1394 CD2 TYR A 93 7.628 8.121 6.587 1.00 0.00 C ATOM 1395 CE1 TYR A 93 7.662 9.559 4.236 1.00 0.00 C ATOM 1396 CE2 TYR A 93 8.024 9.445 6.599 1.00 0.00 C ATOM 1397 CZ TYR A 93 8.039 10.161 5.420 1.00 0.00 C ATOM 1398 OH TYR A 93 8.417 11.482 5.425 1.00 0.00 O ATOM 0 H TYR A 93 8.093 5.169 2.877 1.00 0.00 H new ATOM 0 HA TYR A 93 8.594 4.981 5.759 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.956 5.997 4.666 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.410 5.805 6.348 1.00 0.00 H new ATOM 0 HD1 TYR A 93 6.979 7.765 3.317 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.611 7.560 7.510 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.671 10.119 3.313 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.320 9.916 7.525 1.00 0.00 H new ATOM 0 HH TYR A 93 8.651 11.752 6.338 1.00 0.00 H new ATOM 1408 N TYR A 94 6.359 3.313 5.691 1.00 0.00 N ATOM 1409 CA TYR A 94 5.651 2.038 5.658 1.00 0.00 C ATOM 1410 C TYR A 94 4.275 2.172 6.298 1.00 0.00 C ATOM 1411 O TYR A 94 4.129 2.826 7.331 1.00 0.00 O ATOM 1412 CB TYR A 94 6.410 0.953 6.434 1.00 0.00 C ATOM 1413 CG TYR A 94 7.744 0.524 5.862 1.00 0.00 C ATOM 1414 CD1 TYR A 94 7.860 0.058 4.559 1.00 0.00 C ATOM 1415 CD2 TYR A 94 8.883 0.542 6.654 1.00 0.00 C ATOM 1416 CE1 TYR A 94 9.078 -0.373 4.064 1.00 0.00 C ATOM 1417 CE2 TYR A 94 10.102 0.121 6.165 1.00 0.00 C ATOM 1418 CZ TYR A 94 10.194 -0.339 4.871 1.00 0.00 C ATOM 1419 OH TYR A 94 11.408 -0.771 4.384 1.00 0.00 O ATOM 0 H TYR A 94 6.167 3.870 6.524 1.00 0.00 H new ATOM 0 HA TYR A 94 5.566 1.756 4.609 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.574 1.311 7.450 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.770 0.073 6.505 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.987 0.032 3.923 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.814 0.892 7.673 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.154 -0.735 3.049 1.00 0.00 H new ATOM 0 HE2 TYR A 94 10.979 0.152 6.794 1.00 0.00 H new ATOM 0 HH TYR A 94 12.091 -0.679 5.081 1.00 0.00 H new ATOM 1429 N ASP A 95 3.278 1.555 5.685 1.00 0.00 N ATOM 1430 CA ASP A 95 1.993 1.341 6.341 1.00 0.00 C ATOM 1431 C ASP A 95 1.843 -0.148 6.595 1.00 0.00 C ATOM 1432 O ASP A 95 1.606 -0.925 5.666 1.00 0.00 O ATOM 1433 CB ASP A 95 0.817 1.853 5.498 1.00 0.00 C ATOM 1434 CG ASP A 95 -0.523 1.653 6.196 1.00 0.00 C ATOM 1435 OD1 ASP A 95 -0.807 2.385 7.168 1.00 0.00 O ATOM 1436 OD2 ASP A 95 -1.299 0.769 5.769 1.00 0.00 O ATOM 0 H ASP A 95 3.331 1.192 4.733 1.00 0.00 H new ATOM 0 HA ASP A 95 1.975 1.903 7.275 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.959 2.913 5.285 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.806 1.334 4.540 1.00 0.00 H new ATOM 1441 N ASN A 96 2.027 -0.556 7.842 1.00 0.00 N ATOM 1442 CA ASN A 96 2.093 -1.969 8.157 1.00 0.00 C ATOM 1443 C ASN A 96 1.627 -2.249 9.580 1.00 0.00 C ATOM 1444 O ASN A 96 2.441 -2.227 10.497 1.00 0.00 O ATOM 1445 CB ASN A 96 3.522 -2.478 7.973 1.00 0.00 C ATOM 1446 CG ASN A 96 3.646 -3.963 8.223 1.00 0.00 C ATOM 1447 OD1 ASN A 96 2.689 -4.721 8.067 1.00 0.00 O ATOM 1448 ND2 ASN A 96 4.841 -4.391 8.581 1.00 0.00 N ATOM 0 H ASN A 96 2.132 0.067 8.643 1.00 0.00 H new ATOM 0 HA ASN A 96 1.425 -2.494 7.474 1.00 0.00 H new ATOM 0 HB2 ASN A 96 3.856 -2.255 6.960 1.00 0.00 H new ATOM 0 HB3 ASN A 96 4.185 -1.942 8.652 1.00 0.00 H new ATOM 0 HD21 ASN A 96 5.000 -5.386 8.740 1.00 0.00 H new ATOM 0 HD22 ASN A 96 5.606 -3.727 8.699 1.00 0.00 H new ATOM 1455 N ASN A 97 0.309 -2.443 9.719 1.00 0.00 N ATOM 1456 CA ASN A 97 -0.385 -2.953 10.928 1.00 0.00 C ATOM 1457 C ASN A 97 0.117 -2.379 12.269 1.00 0.00 C ATOM 1458 O ASN A 97 -0.603 -1.635 12.938 1.00 0.00 O ATOM 1459 CB ASN A 97 -0.427 -4.510 10.945 1.00 0.00 C ATOM 1460 CG ASN A 97 0.847 -5.232 11.386 1.00 0.00 C ATOM 1461 OD1 ASN A 97 1.969 -4.790 11.153 1.00 0.00 O ATOM 1462 ND2 ASN A 97 0.668 -6.369 12.042 1.00 0.00 N ATOM 0 H ASN A 97 -0.341 -2.241 8.960 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.404 -2.575 10.841 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.238 -4.820 11.604 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.682 -4.853 9.942 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.474 -6.902 12.368 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.276 -6.711 12.221 1.00 0.00 H new ATOM 1469 N ASN A 98 1.329 -2.723 12.651 1.00 0.00 N ATOM 1470 CA ASN A 98 1.910 -2.314 13.913 1.00 0.00 C ATOM 1471 C ASN A 98 3.416 -2.450 13.800 1.00 0.00 C ATOM 1472 O ASN A 98 4.162 -1.521 14.112 1.00 0.00 O ATOM 1473 CB ASN A 98 1.381 -3.175 15.068 1.00 0.00 C ATOM 1474 CG ASN A 98 1.891 -2.712 16.422 1.00 0.00 C ATOM 1475 OD1 ASN A 98 2.136 -1.524 16.637 1.00 0.00 O ATOM 1476 ND2 ASN A 98 2.045 -3.647 17.346 1.00 0.00 N ATOM 0 H ASN A 98 1.948 -3.304 12.085 1.00 0.00 H new ATOM 0 HA ASN A 98 1.636 -1.281 14.127 1.00 0.00 H new ATOM 0 HB2 ASN A 98 0.291 -3.149 15.066 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.676 -4.212 14.908 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.378 -3.395 18.277 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.831 -4.620 17.128 1.00 0.00 H new ATOM 1483 N SER A 99 3.848 -3.621 13.328 1.00 0.00 N ATOM 1484 CA SER A 99 5.256 -3.873 13.065 1.00 0.00 C ATOM 1485 C SER A 99 5.478 -5.240 12.402 1.00 0.00 C ATOM 1486 O SER A 99 6.591 -5.773 12.433 1.00 0.00 O ATOM 1487 CB SER A 99 6.050 -3.793 14.373 1.00 0.00 C ATOM 1488 OG SER A 99 5.430 -4.567 15.390 1.00 0.00 O ATOM 0 H SER A 99 3.235 -4.410 13.121 1.00 0.00 H new ATOM 0 HA SER A 99 5.607 -3.108 12.372 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.067 -4.149 14.208 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.124 -2.754 14.695 1.00 0.00 H new ATOM 0 HG SER A 99 5.954 -4.503 16.215 1.00 0.00 H new ATOM 1494 N ALA A 100 4.439 -5.809 11.788 1.00 0.00 N ATOM 1495 CA ALA A 100 4.549 -7.156 11.237 1.00 0.00 C ATOM 1496 C ALA A 100 4.086 -7.253 9.781 1.00 0.00 C ATOM 1497 O ALA A 100 4.885 -7.092 8.860 1.00 0.00 O ATOM 1498 CB ALA A 100 3.776 -8.132 12.103 1.00 0.00 C ATOM 0 H ALA A 100 3.529 -5.366 11.662 1.00 0.00 H new ATOM 0 HA ALA A 100 5.608 -7.414 11.240 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.862 -9.135 11.686 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.183 -8.123 13.114 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.726 -7.840 12.132 1.00 0.00 H new ATOM 1504 N ASN A 101 2.786 -7.477 9.592 1.00 0.00 N ATOM 1505 CA ASN A 101 2.206 -7.809 8.285 1.00 0.00 C ATOM 1506 C ASN A 101 0.694 -7.738 8.361 1.00 0.00 C ATOM 1507 O ASN A 101 0.105 -8.011 9.407 1.00 0.00 O ATOM 1508 CB ASN A 101 2.597 -9.228 7.841 1.00 0.00 C ATOM 1509 CG ASN A 101 3.919 -9.294 7.090 1.00 0.00 C ATOM 1510 OD1 ASN A 101 4.974 -9.543 7.674 1.00 0.00 O ATOM 1511 ND2 ASN A 101 3.869 -9.072 5.785 1.00 0.00 N ATOM 0 H ASN A 101 2.099 -7.434 10.344 1.00 0.00 H new ATOM 0 HA ASN A 101 2.592 -7.089 7.563 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.657 -9.870 8.720 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.808 -9.630 7.205 1.00 0.00 H new ATOM 0 HD21 ASN A 101 4.724 -9.104 5.229 1.00 0.00 H new ATOM 0 HD22 ASN A 101 2.976 -8.869 5.336 1.00 0.00 H new ATOM 1518 N TYR A 102 0.073 -7.360 7.259 1.00 0.00 N ATOM 1519 CA TYR A 102 -1.370 -7.448 7.134 1.00 0.00 C ATOM 1520 C TYR A 102 -1.751 -8.840 6.661 1.00 0.00 C ATOM 1521 O TYR A 102 -1.278 -9.292 5.616 1.00 0.00 O ATOM 1522 CB TYR A 102 -1.905 -6.425 6.133 1.00 0.00 C ATOM 1523 CG TYR A 102 -1.806 -4.988 6.581 1.00 0.00 C ATOM 1524 CD1 TYR A 102 -2.677 -4.480 7.533 1.00 0.00 C ATOM 1525 CD2 TYR A 102 -0.854 -4.136 6.039 1.00 0.00 C ATOM 1526 CE1 TYR A 102 -2.603 -3.164 7.936 1.00 0.00 C ATOM 1527 CE2 TYR A 102 -0.773 -2.818 6.438 1.00 0.00 C ATOM 1528 CZ TYR A 102 -1.649 -2.337 7.384 1.00 0.00 C ATOM 1529 OH TYR A 102 -1.564 -1.030 7.797 1.00 0.00 O ATOM 0 H TYR A 102 0.547 -6.988 6.436 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.807 -7.241 8.111 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.361 -6.537 5.195 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -2.950 -6.654 5.924 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -3.426 -5.126 7.966 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.167 -4.510 5.294 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.288 -2.784 8.679 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.025 -2.167 6.010 1.00 0.00 H new ATOM 0 HH TYR A 102 -1.486 -0.444 7.015 1.00 0.00 H new ATOM 1539 N GLN A 103 -2.583 -9.520 7.429 1.00 0.00 N ATOM 1540 CA GLN A 103 -3.094 -10.816 7.020 1.00 0.00 C ATOM 1541 C GLN A 103 -4.190 -10.611 5.987 1.00 0.00 C ATOM 1542 O GLN A 103 -5.177 -9.926 6.250 1.00 0.00 O ATOM 1543 CB GLN A 103 -3.658 -11.608 8.212 1.00 0.00 C ATOM 1544 CG GLN A 103 -2.627 -12.176 9.180 1.00 0.00 C ATOM 1545 CD GLN A 103 -1.775 -11.117 9.839 1.00 0.00 C ATOM 1546 OE1 GLN A 103 -2.131 -10.561 10.879 1.00 0.00 O ATOM 1547 NE2 GLN A 103 -0.634 -10.852 9.247 1.00 0.00 N ATOM 0 H GLN A 103 -2.919 -9.198 8.337 1.00 0.00 H new ATOM 0 HA GLN A 103 -2.270 -11.390 6.598 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -4.332 -10.958 8.770 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -4.258 -12.432 7.825 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -3.141 -12.750 9.951 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -1.980 -12.870 8.644 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.381 -11.338 8.387 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.000 -10.160 9.647 1.00 0.00 H new ATOM 1556 N VAL A 104 -4.021 -11.195 4.815 1.00 0.00 N ATOM 1557 CA VAL A 104 -5.023 -11.080 3.770 1.00 0.00 C ATOM 1558 C VAL A 104 -6.178 -12.027 4.062 1.00 0.00 C ATOM 1559 O VAL A 104 -5.960 -13.192 4.396 1.00 0.00 O ATOM 1560 CB VAL A 104 -4.435 -11.405 2.381 1.00 0.00 C ATOM 1561 CG1 VAL A 104 -5.473 -11.209 1.286 1.00 0.00 C ATOM 1562 CG2 VAL A 104 -3.211 -10.550 2.109 1.00 0.00 C ATOM 0 H VAL A 104 -3.204 -11.751 4.563 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.376 -10.049 3.757 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.137 -12.453 2.379 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.030 -11.445 0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.322 -11.868 1.467 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.811 -10.173 1.287 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.809 -10.792 1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.489 -9.497 2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.454 -10.746 2.868 1.00 0.00 H new ATOM 1572 N SER A 105 -7.400 -11.516 3.968 1.00 0.00 N ATOM 1573 CA SER A 105 -8.587 -12.304 4.267 1.00 0.00 C ATOM 1574 C SER A 105 -8.863 -13.317 3.157 1.00 0.00 C ATOM 1575 O SER A 105 -9.737 -13.115 2.313 1.00 0.00 O ATOM 1576 CB SER A 105 -9.794 -11.384 4.462 1.00 0.00 C ATOM 1577 OG SER A 105 -9.540 -10.412 5.464 1.00 0.00 O ATOM 0 H SER A 105 -7.594 -10.555 3.686 1.00 0.00 H new ATOM 0 HA SER A 105 -8.410 -12.855 5.191 1.00 0.00 H new ATOM 0 HB2 SER A 105 -10.032 -10.887 3.521 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.666 -11.977 4.739 1.00 0.00 H new ATOM 0 HG SER A 105 -10.326 -9.836 5.568 1.00 0.00 H new ATOM 1583 N THR A 106 -8.097 -14.393 3.155 1.00 0.00 N ATOM 1584 CA THR A 106 -8.297 -15.472 2.211 1.00 0.00 C ATOM 1585 C THR A 106 -8.762 -16.721 2.956 1.00 0.00 C ATOM 1586 O THR A 106 -7.912 -17.555 3.323 1.00 0.00 O ATOM 1587 CB THR A 106 -6.999 -15.765 1.432 1.00 0.00 C ATOM 1588 OG1 THR A 106 -6.422 -14.531 0.981 1.00 0.00 O ATOM 1589 CG2 THR A 106 -7.273 -16.653 0.230 1.00 0.00 C ATOM 1590 OXT THR A 106 -9.978 -16.836 3.220 1.00 0.00 O ATOM 0 H THR A 106 -7.324 -14.541 3.804 1.00 0.00 H new ATOM 0 HA THR A 106 -9.061 -15.175 1.493 1.00 0.00 H new ATOM 0 HB THR A 106 -6.310 -16.283 2.099 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.596 -14.717 0.487 1.00 0.00 H new ATOM 0 HG21 THR A 106 -6.341 -16.844 -0.301 1.00 0.00 H new ATOM 0 HG22 THR A 106 -7.699 -17.598 0.566 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.976 -16.155 -0.438 1.00 0.00 H new