USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 715 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 107 LYS NZ :NH3+ -125:sc= 0.118 (180deg=0) USER MOD Set 1.2: A 130 GLN : amide:sc= -2.69 K(o=-2.6,f=-3.1) USER MOD Set 2.1: A 88 THR OG1 : rot 95:sc= 1.08 USER MOD Set 2.2: A 89 HIS : no HD1:sc= 0.0629 K(o=1.1,f=-3.9) USER MOD Set 3.1: A 79 HIS : no HD1:sc= -4.95! C(o=-3.6!,f=-11!) USER MOD Set 3.2: A 87 THR OG1 : rot 27:sc= 1.35 USER MOD Set 4.1: A 55 TYR OH : rot -148:sc= 0.114 USER MOD Set 4.2: A 57 ASN : amide:sc= 0.11 X(o=0.22,f=0.056) USER MOD Single : A 47 THR OG1 : rot -31:sc= 0.179 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 72:sc=-7.06e-05 USER MOD Single : A 63 SER OG : rot 91:sc= 0.262 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -106:sc= -1.52 (180deg=-5.87!) USER MOD Single : A 72 MET CE :methyl -139:sc= 0 (180deg=-0.015) USER MOD Single : A 74 HIS : no HD1:sc= -0.734 K(o=-0.73,f=-0.0033) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 TYR OH : rot 150:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.434 USER MOD Single : A 94 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.3) USER MOD Single : A 97 ASN : amide:sc= -0.0586 K(o=-0.059,f=-1.4!) USER MOD Single : A 99 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0137) USER MOD Single : A 101 LYS NZ :NH3+ -158:sc= -0.0975 (180deg=-0.644) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 92:sc= 1.09 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 TYR OH : rot -87:sc= 0.0959 USER MOD ----------------------------------------------------------------- ATOM 102 N THR A 47 3.949 12.925 -0.459 1.00 0.00 N ATOM 103 CA THR A 47 3.813 12.229 -1.732 1.00 0.00 C ATOM 104 C THR A 47 4.809 11.079 -1.839 1.00 0.00 C ATOM 105 O THR A 47 5.271 10.746 -2.931 1.00 0.00 O ATOM 106 CB THR A 47 4.021 13.186 -2.921 1.00 0.00 C ATOM 107 OG1 THR A 47 5.223 13.942 -2.737 1.00 0.00 O ATOM 108 CG2 THR A 47 2.838 14.132 -3.067 1.00 0.00 C ATOM 0 HA THR A 47 2.798 11.832 -1.768 1.00 0.00 H new ATOM 0 HB THR A 47 4.103 12.589 -3.829 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.381 14.077 -1.779 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.007 14.798 -3.913 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.929 13.555 -3.236 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.729 14.722 -2.157 1.00 0.00 H new ATOM 116 N ILE A 48 5.135 10.477 -0.701 1.00 0.00 N ATOM 117 CA ILE A 48 6.075 9.363 -0.668 1.00 0.00 C ATOM 118 C ILE A 48 5.535 8.165 -1.442 1.00 0.00 C ATOM 119 O ILE A 48 6.299 7.335 -1.934 1.00 0.00 O ATOM 120 CB ILE A 48 6.385 8.930 0.777 1.00 0.00 C ATOM 121 CG1 ILE A 48 5.086 8.680 1.547 1.00 0.00 C ATOM 122 CG2 ILE A 48 7.228 9.985 1.477 1.00 0.00 C ATOM 123 CD1 ILE A 48 5.296 7.996 2.880 1.00 0.00 C ATOM 0 H ILE A 48 4.762 10.742 0.211 1.00 0.00 H new ATOM 0 HA ILE A 48 6.994 9.712 -1.138 1.00 0.00 H new ATOM 0 HB ILE A 48 6.953 8.000 0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.582 9.632 1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.422 8.069 0.935 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.439 9.664 2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.166 10.118 0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.685 10.930 1.499 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.333 7.851 3.370 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.772 7.028 2.721 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.934 8.615 3.510 1.00 0.00 H new ATOM 135 N PHE A 49 4.213 8.083 -1.547 1.00 0.00 N ATOM 136 CA PHE A 49 3.569 6.987 -2.262 1.00 0.00 C ATOM 137 C PHE A 49 3.099 7.439 -3.641 1.00 0.00 C ATOM 138 O PHE A 49 2.143 6.893 -4.192 1.00 0.00 O ATOM 139 CB PHE A 49 2.384 6.451 -1.456 1.00 0.00 C ATOM 140 CG PHE A 49 2.785 5.784 -0.171 1.00 0.00 C ATOM 141 CD1 PHE A 49 3.402 4.544 -0.181 1.00 0.00 C ATOM 142 CD2 PHE A 49 2.544 6.398 1.047 1.00 0.00 C ATOM 143 CE1 PHE A 49 3.772 3.928 0.999 1.00 0.00 C ATOM 144 CE2 PHE A 49 2.912 5.788 2.231 1.00 0.00 C ATOM 145 CZ PHE A 49 3.526 4.551 2.207 1.00 0.00 C ATOM 0 H PHE A 49 3.566 8.762 -1.146 1.00 0.00 H new ATOM 0 HA PHE A 49 4.301 6.190 -2.391 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.705 7.274 -1.232 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.831 5.739 -2.068 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.596 4.053 -1.123 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.063 7.365 1.072 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.253 2.961 0.977 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.720 6.278 3.174 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.813 4.072 3.131 1.00 0.00 H new ATOM 155 N SER A 50 3.777 8.440 -4.192 1.00 0.00 N ATOM 156 CA SER A 50 3.426 8.969 -5.505 1.00 0.00 C ATOM 157 C SER A 50 3.744 7.957 -6.601 1.00 0.00 C ATOM 158 O SER A 50 4.905 7.638 -6.850 1.00 0.00 O ATOM 159 CB SER A 50 4.178 10.276 -5.769 1.00 0.00 C ATOM 160 OG SER A 50 4.374 10.480 -7.157 1.00 0.00 O ATOM 0 H SER A 50 4.572 8.901 -3.750 1.00 0.00 H new ATOM 0 HA SER A 50 2.354 9.166 -5.516 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.618 11.112 -5.351 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.143 10.253 -5.262 1.00 0.00 H new ATOM 0 HG SER A 50 4.855 11.322 -7.299 1.00 0.00 H new ATOM 166 N GLY A 51 2.700 7.455 -7.255 1.00 0.00 N ATOM 167 CA GLY A 51 2.887 6.484 -8.317 1.00 0.00 C ATOM 168 C GLY A 51 2.968 5.063 -7.796 1.00 0.00 C ATOM 169 O GLY A 51 3.689 4.232 -8.347 1.00 0.00 O ATOM 0 H GLY A 51 1.729 7.704 -7.068 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.062 6.561 -9.025 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.800 6.720 -8.864 1.00 0.00 H new ATOM 173 N VAL A 52 2.227 4.783 -6.728 1.00 0.00 N ATOM 174 CA VAL A 52 2.218 3.453 -6.131 1.00 0.00 C ATOM 175 C VAL A 52 0.793 2.954 -5.922 1.00 0.00 C ATOM 176 O VAL A 52 0.061 3.471 -5.078 1.00 0.00 O ATOM 177 CB VAL A 52 2.959 3.438 -4.781 1.00 0.00 C ATOM 178 CG1 VAL A 52 2.786 2.094 -4.091 1.00 0.00 C ATOM 179 CG2 VAL A 52 4.432 3.760 -4.979 1.00 0.00 C ATOM 0 H VAL A 52 1.625 5.460 -6.259 1.00 0.00 H new ATOM 0 HA VAL A 52 2.733 2.791 -6.827 1.00 0.00 H new ATOM 0 HB VAL A 52 2.526 4.206 -4.140 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.317 2.103 -3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.726 1.910 -3.914 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.191 1.305 -4.725 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.940 3.745 -4.015 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.881 3.017 -5.638 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.531 4.749 -5.426 1.00 0.00 H new ATOM 189 N ALA A 53 0.405 1.945 -6.696 1.00 0.00 N ATOM 190 CA ALA A 53 -0.932 1.374 -6.593 1.00 0.00 C ATOM 191 C ALA A 53 -0.930 0.126 -5.716 1.00 0.00 C ATOM 192 O ALA A 53 -0.120 -0.781 -5.913 1.00 0.00 O ATOM 193 CB ALA A 53 -1.474 1.048 -7.977 1.00 0.00 C ATOM 0 H ALA A 53 0.998 1.507 -7.401 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.582 2.114 -6.125 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.473 0.622 -7.885 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.521 1.959 -8.573 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.816 0.329 -8.465 1.00 0.00 H new ATOM 199 N ILE A 54 -1.841 0.087 -4.749 1.00 0.00 N ATOM 200 CA ILE A 54 -1.944 -1.050 -3.843 1.00 0.00 C ATOM 201 C ILE A 54 -3.284 -1.759 -4.001 1.00 0.00 C ATOM 202 O ILE A 54 -4.231 -1.203 -4.559 1.00 0.00 O ATOM 203 CB ILE A 54 -1.775 -0.617 -2.375 1.00 0.00 C ATOM 204 CG1 ILE A 54 -2.941 0.276 -1.947 1.00 0.00 C ATOM 205 CG2 ILE A 54 -0.450 0.106 -2.185 1.00 0.00 C ATOM 206 CD1 ILE A 54 -3.174 0.290 -0.452 1.00 0.00 C ATOM 0 H ILE A 54 -2.518 0.829 -4.573 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.139 -1.737 -4.106 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.774 -1.508 -1.747 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.752 1.294 -2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.849 -0.063 -2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.345 0.406 -1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.370 -0.560 -2.455 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.424 0.991 -2.821 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.015 0.943 -0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.395 -0.721 -0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.280 0.657 0.052 1.00 0.00 H new ATOM 218 N TYR A 55 -3.358 -2.989 -3.506 1.00 0.00 N ATOM 219 CA TYR A 55 -4.583 -3.776 -3.592 1.00 0.00 C ATOM 220 C TYR A 55 -4.736 -4.681 -2.374 1.00 0.00 C ATOM 221 O TYR A 55 -4.011 -5.663 -2.220 1.00 0.00 O ATOM 222 CB TYR A 55 -4.585 -4.617 -4.870 1.00 0.00 C ATOM 223 CG TYR A 55 -5.641 -5.699 -4.881 1.00 0.00 C ATOM 224 CD1 TYR A 55 -6.930 -5.434 -5.326 1.00 0.00 C ATOM 225 CD2 TYR A 55 -5.350 -6.986 -4.445 1.00 0.00 C ATOM 226 CE1 TYR A 55 -7.898 -6.419 -5.337 1.00 0.00 C ATOM 227 CE2 TYR A 55 -6.311 -7.978 -4.455 1.00 0.00 C ATOM 228 CZ TYR A 55 -7.584 -7.689 -4.901 1.00 0.00 C ATOM 229 OH TYR A 55 -8.545 -8.674 -4.911 1.00 0.00 O ATOM 0 H TYR A 55 -2.584 -3.463 -3.041 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.427 -3.086 -3.617 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.740 -3.961 -5.726 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.604 -5.077 -4.994 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.179 -4.441 -5.669 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.355 -7.215 -4.092 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.896 -6.196 -5.685 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -6.067 -8.974 -4.116 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.385 -9.294 -4.169 1.00 0.00 H new ATOM 239 N VAL A 56 -5.688 -4.342 -1.509 1.00 0.00 N ATOM 240 CA VAL A 56 -5.940 -5.124 -0.304 1.00 0.00 C ATOM 241 C VAL A 56 -6.755 -6.373 -0.620 1.00 0.00 C ATOM 242 O VAL A 56 -7.630 -6.353 -1.485 1.00 0.00 O ATOM 243 CB VAL A 56 -6.683 -4.294 0.758 1.00 0.00 C ATOM 244 CG1 VAL A 56 -6.853 -5.095 2.040 1.00 0.00 C ATOM 245 CG2 VAL A 56 -5.946 -2.991 1.028 1.00 0.00 C ATOM 0 H VAL A 56 -6.297 -3.531 -1.621 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.968 -5.419 0.091 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.674 -4.052 0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.380 -4.492 2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.428 -5.998 1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.873 -5.371 2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.486 -2.417 1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.941 -3.209 1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.882 -2.411 0.107 1.00 0.00 H new ATOM 255 N ASN A 57 -6.463 -7.459 0.088 1.00 0.00 N ATOM 256 CA ASN A 57 -7.169 -8.718 -0.116 1.00 0.00 C ATOM 257 C ASN A 57 -7.415 -9.426 1.213 1.00 0.00 C ATOM 258 O ASN A 57 -6.479 -9.884 1.866 1.00 0.00 O ATOM 259 CB ASN A 57 -6.371 -9.628 -1.052 1.00 0.00 C ATOM 260 CG ASN A 57 -7.189 -10.803 -1.552 1.00 0.00 C ATOM 261 OD1 ASN A 57 -7.989 -10.668 -2.479 1.00 0.00 O ATOM 262 ND2 ASN A 57 -6.993 -11.965 -0.939 1.00 0.00 N ATOM 0 H ASN A 57 -5.742 -7.492 0.809 1.00 0.00 H new ATOM 0 HA ASN A 57 -8.134 -8.495 -0.572 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.016 -9.047 -1.903 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.489 -9.999 -0.529 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.515 -12.791 -1.232 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.320 -12.032 -0.175 1.00 0.00 H new ATOM 269 N GLY A 58 -8.682 -9.512 1.606 1.00 0.00 N ATOM 270 CA GLY A 58 -9.029 -10.166 2.854 1.00 0.00 C ATOM 271 C GLY A 58 -8.992 -9.217 4.035 1.00 0.00 C ATOM 272 O GLY A 58 -9.064 -8.000 3.865 1.00 0.00 O ATOM 0 H GLY A 58 -9.474 -9.140 1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.026 -10.597 2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.339 -10.991 3.033 1.00 0.00 H new ATOM 276 N TYR A 59 -8.882 -9.774 5.236 1.00 0.00 N ATOM 277 CA TYR A 59 -8.840 -8.968 6.451 1.00 0.00 C ATOM 278 C TYR A 59 -7.444 -8.395 6.677 1.00 0.00 C ATOM 279 O TYR A 59 -6.449 -9.120 6.648 1.00 0.00 O ATOM 280 CB TYR A 59 -9.260 -9.808 7.659 1.00 0.00 C ATOM 281 CG TYR A 59 -8.843 -9.212 8.985 1.00 0.00 C ATOM 282 CD1 TYR A 59 -7.528 -9.299 9.424 1.00 0.00 C ATOM 283 CD2 TYR A 59 -9.764 -8.564 9.798 1.00 0.00 C ATOM 284 CE1 TYR A 59 -7.142 -8.757 10.635 1.00 0.00 C ATOM 285 CE2 TYR A 59 -9.387 -8.018 11.010 1.00 0.00 C ATOM 286 CZ TYR A 59 -8.075 -8.117 11.424 1.00 0.00 C ATOM 287 OH TYR A 59 -7.695 -7.576 12.631 1.00 0.00 O ATOM 0 H TYR A 59 -8.820 -10.780 5.394 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.538 -8.139 6.332 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.343 -9.928 7.649 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.828 -10.804 7.566 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.795 -9.799 8.808 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.792 -8.486 9.477 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.116 -8.834 10.962 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.116 -7.516 11.630 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.471 -7.161 13.062 1.00 0.00 H new ATOM 297 N THR A 60 -7.378 -7.087 6.903 1.00 0.00 N ATOM 298 CA THR A 60 -6.106 -6.414 7.134 1.00 0.00 C ATOM 299 C THR A 60 -6.271 -5.240 8.092 1.00 0.00 C ATOM 300 O THR A 60 -7.371 -4.714 8.261 1.00 0.00 O ATOM 301 CB THR A 60 -5.494 -5.904 5.816 1.00 0.00 C ATOM 302 OG1 THR A 60 -6.451 -5.111 5.105 1.00 0.00 O ATOM 303 CG2 THR A 60 -5.042 -7.066 4.943 1.00 0.00 C ATOM 0 H THR A 60 -8.191 -6.472 6.931 1.00 0.00 H new ATOM 0 HA THR A 60 -5.435 -7.150 7.578 1.00 0.00 H new ATOM 0 HB THR A 60 -4.625 -5.293 6.058 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.566 -4.251 5.561 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.613 -6.681 4.018 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.291 -7.650 5.475 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.897 -7.700 4.710 1.00 0.00 H new ATOM 311 N ASP A 61 -5.171 -4.833 8.716 1.00 0.00 N ATOM 312 CA ASP A 61 -5.194 -3.719 9.656 1.00 0.00 C ATOM 313 C ASP A 61 -4.154 -2.668 9.280 1.00 0.00 C ATOM 314 O ASP A 61 -2.956 -2.943 9.208 1.00 0.00 O ATOM 315 CB ASP A 61 -4.939 -4.219 11.079 1.00 0.00 C ATOM 316 CG ASP A 61 -4.626 -3.091 12.042 1.00 0.00 C ATOM 317 OD1 ASP A 61 -3.628 -2.375 11.814 1.00 0.00 O ATOM 318 OD2 ASP A 61 -5.379 -2.924 13.024 1.00 0.00 O ATOM 0 H ASP A 61 -4.253 -5.258 8.588 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.181 -3.259 9.611 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.816 -4.762 11.433 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.109 -4.925 11.069 1.00 0.00 H new ATOM 323 N PRO A 62 -4.620 -1.435 9.032 1.00 0.00 N ATOM 324 CA PRO A 62 -6.044 -1.096 9.113 1.00 0.00 C ATOM 325 C PRO A 62 -6.857 -1.736 7.993 1.00 0.00 C ATOM 326 O PRO A 62 -6.349 -2.566 7.240 1.00 0.00 O ATOM 327 CB PRO A 62 -6.054 0.428 8.979 1.00 0.00 C ATOM 328 CG PRO A 62 -4.807 0.751 8.230 1.00 0.00 C ATOM 329 CD PRO A 62 -3.794 -0.277 8.652 1.00 0.00 C ATOM 0 HA PRO A 62 -6.498 -1.459 10.035 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.938 0.772 8.443 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -6.065 0.911 9.956 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.977 0.713 7.154 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.461 1.758 8.463 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.108 -0.522 7.841 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.188 0.075 9.487 1.00 0.00 H new ATOM 337 N SER A 63 -8.123 -1.343 7.888 1.00 0.00 N ATOM 338 CA SER A 63 -9.007 -1.881 6.861 1.00 0.00 C ATOM 339 C SER A 63 -8.744 -1.214 5.514 1.00 0.00 C ATOM 340 O SER A 63 -8.203 -0.111 5.451 1.00 0.00 O ATOM 341 CB SER A 63 -10.470 -1.683 7.264 1.00 0.00 C ATOM 342 OG SER A 63 -10.683 -2.059 8.613 1.00 0.00 O ATOM 0 H SER A 63 -8.559 -0.654 8.501 1.00 0.00 H new ATOM 0 HA SER A 63 -8.805 -2.948 6.764 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.750 -0.639 7.126 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.113 -2.275 6.612 1.00 0.00 H new ATOM 0 HG SER A 63 -10.561 -1.279 9.193 1.00 0.00 H new ATOM 348 N ALA A 64 -9.132 -1.893 4.439 1.00 0.00 N ATOM 349 CA ALA A 64 -8.940 -1.367 3.094 1.00 0.00 C ATOM 350 C ALA A 64 -9.459 0.063 2.984 1.00 0.00 C ATOM 351 O ALA A 64 -8.796 0.931 2.419 1.00 0.00 O ATOM 352 CB ALA A 64 -9.631 -2.261 2.074 1.00 0.00 C ATOM 0 H ALA A 64 -9.581 -2.808 4.474 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.870 -1.355 2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.479 -1.856 1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.211 -3.265 2.127 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.698 -2.303 2.291 1.00 0.00 H new ATOM 358 N GLU A 65 -10.649 0.299 3.527 1.00 0.00 N ATOM 359 CA GLU A 65 -11.257 1.624 3.488 1.00 0.00 C ATOM 360 C GLU A 65 -10.299 2.678 4.037 1.00 0.00 C ATOM 361 O GLU A 65 -10.068 3.709 3.407 1.00 0.00 O ATOM 362 CB GLU A 65 -12.560 1.636 4.290 1.00 0.00 C ATOM 363 CG GLU A 65 -13.270 2.980 4.278 1.00 0.00 C ATOM 364 CD GLU A 65 -14.508 2.993 5.153 1.00 0.00 C ATOM 365 OE1 GLU A 65 -15.371 2.108 4.974 1.00 0.00 O ATOM 366 OE2 GLU A 65 -14.614 3.889 6.017 1.00 0.00 O ATOM 0 H GLU A 65 -11.211 -0.409 3.999 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.477 1.864 2.448 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.231 0.877 3.888 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.344 1.358 5.322 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.581 3.754 4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -13.550 3.230 3.255 1.00 0.00 H new ATOM 373 N GLU A 66 -9.748 2.410 5.217 1.00 0.00 N ATOM 374 CA GLU A 66 -8.817 3.336 5.852 1.00 0.00 C ATOM 375 C GLU A 66 -7.619 3.609 4.947 1.00 0.00 C ATOM 376 O GLU A 66 -7.279 4.762 4.678 1.00 0.00 O ATOM 377 CB GLU A 66 -8.339 2.775 7.193 1.00 0.00 C ATOM 378 CG GLU A 66 -9.341 2.959 8.321 1.00 0.00 C ATOM 379 CD GLU A 66 -10.390 1.864 8.353 1.00 0.00 C ATOM 380 OE1 GLU A 66 -10.071 0.752 8.822 1.00 0.00 O ATOM 381 OE2 GLU A 66 -11.529 2.120 7.911 1.00 0.00 O ATOM 0 H GLU A 66 -9.930 1.561 5.752 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.341 4.276 6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.126 1.712 7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.402 3.260 7.467 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.811 2.978 9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.833 3.925 8.211 1.00 0.00 H new ATOM 388 N LEU A 67 -6.982 2.541 4.480 1.00 0.00 N ATOM 389 CA LEU A 67 -5.821 2.663 3.606 1.00 0.00 C ATOM 390 C LEU A 67 -6.181 3.407 2.323 1.00 0.00 C ATOM 391 O LEU A 67 -5.382 4.183 1.799 1.00 0.00 O ATOM 392 CB LEU A 67 -5.264 1.279 3.267 1.00 0.00 C ATOM 393 CG LEU A 67 -4.757 0.452 4.448 1.00 0.00 C ATOM 394 CD1 LEU A 67 -4.559 -0.999 4.038 1.00 0.00 C ATOM 395 CD2 LEU A 67 -3.461 1.037 4.992 1.00 0.00 C ATOM 0 H LEU A 67 -7.250 1.580 4.692 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.058 3.235 4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.043 0.710 2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.446 1.403 2.558 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.507 0.485 5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.198 -1.572 4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.508 -1.414 3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.829 -1.052 3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.115 0.435 5.832 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.704 1.035 4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.635 2.060 5.326 1.00 0.00 H new ATOM 407 N ARG A 68 -7.390 3.166 1.826 1.00 0.00 N ATOM 408 CA ARG A 68 -7.856 3.814 0.606 1.00 0.00 C ATOM 409 C ARG A 68 -7.727 5.331 0.712 1.00 0.00 C ATOM 410 O ARG A 68 -7.359 6.003 -0.252 1.00 0.00 O ATOM 411 CB ARG A 68 -9.311 3.434 0.325 1.00 0.00 C ATOM 412 CG ARG A 68 -9.898 4.127 -0.894 1.00 0.00 C ATOM 413 CD ARG A 68 -11.239 3.526 -1.285 1.00 0.00 C ATOM 414 NE ARG A 68 -11.696 4.006 -2.586 1.00 0.00 N ATOM 415 CZ ARG A 68 -12.117 5.247 -2.804 1.00 0.00 C ATOM 416 NH1 ARG A 68 -12.138 6.128 -1.813 1.00 0.00 N ATOM 417 NH2 ARG A 68 -12.517 5.609 -4.016 1.00 0.00 N ATOM 0 H ARG A 68 -8.064 2.528 2.249 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.232 3.470 -0.219 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.375 2.355 0.185 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.916 3.678 1.198 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -10.021 5.190 -0.685 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.204 4.045 -1.730 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.156 2.439 -1.308 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.982 3.773 -0.526 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.692 3.353 -3.370 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.830 5.854 -0.880 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.462 7.080 -1.984 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.501 4.934 -4.781 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.840 6.562 -4.183 1.00 0.00 H new ATOM 431 N LYS A 69 -8.033 5.864 1.890 1.00 0.00 N ATOM 432 CA LYS A 69 -7.952 7.301 2.124 1.00 0.00 C ATOM 433 C LYS A 69 -6.499 7.755 2.220 1.00 0.00 C ATOM 434 O LYS A 69 -6.105 8.746 1.604 1.00 0.00 O ATOM 435 CB LYS A 69 -8.699 7.673 3.406 1.00 0.00 C ATOM 436 CG LYS A 69 -9.924 6.814 3.667 1.00 0.00 C ATOM 437 CD LYS A 69 -10.827 6.745 2.447 1.00 0.00 C ATOM 438 CE LYS A 69 -12.276 6.498 2.839 1.00 0.00 C ATOM 439 NZ LYS A 69 -13.123 6.177 1.657 1.00 0.00 N ATOM 0 H LYS A 69 -8.340 5.322 2.698 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.418 7.808 1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.017 7.586 4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.004 8.718 3.349 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.611 5.808 3.947 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.481 7.221 4.511 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.755 7.677 1.886 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.487 5.948 1.786 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.324 5.677 3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.672 7.381 3.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.103 6.015 1.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.098 6.971 0.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.761 5.320 1.193 1.00 0.00 H new ATOM 453 N LEU A 70 -5.706 7.024 2.996 1.00 0.00 N ATOM 454 CA LEU A 70 -4.295 7.350 3.171 1.00 0.00 C ATOM 455 C LEU A 70 -3.605 7.528 1.822 1.00 0.00 C ATOM 456 O LEU A 70 -2.929 8.528 1.587 1.00 0.00 O ATOM 457 CB LEU A 70 -3.593 6.254 3.976 1.00 0.00 C ATOM 458 CG LEU A 70 -4.075 6.066 5.415 1.00 0.00 C ATOM 459 CD1 LEU A 70 -3.471 4.808 6.019 1.00 0.00 C ATOM 460 CD2 LEU A 70 -3.727 7.285 6.257 1.00 0.00 C ATOM 0 H LEU A 70 -6.016 6.202 3.514 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.231 8.291 3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.714 5.309 3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.526 6.474 3.997 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.159 5.955 5.404 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.825 4.690 7.043 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.770 3.941 5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.384 4.890 6.018 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.077 7.134 7.278 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.646 7.428 6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.208 8.168 5.835 1.00 0.00 H new ATOM 472 N MET A 71 -3.782 6.550 0.940 1.00 0.00 N ATOM 473 CA MET A 71 -3.179 6.600 -0.387 1.00 0.00 C ATOM 474 C MET A 71 -3.589 7.872 -1.122 1.00 0.00 C ATOM 475 O MET A 71 -2.767 8.759 -1.352 1.00 0.00 O ATOM 476 CB MET A 71 -3.587 5.371 -1.203 1.00 0.00 C ATOM 477 CG MET A 71 -3.075 4.062 -0.626 1.00 0.00 C ATOM 478 SD MET A 71 -1.325 3.790 -0.967 1.00 0.00 S ATOM 479 CE MET A 71 -0.572 4.757 0.338 1.00 0.00 C ATOM 0 H MET A 71 -4.338 5.714 1.120 1.00 0.00 H new ATOM 0 HA MET A 71 -2.096 6.604 -0.267 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.674 5.331 -1.265 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.214 5.481 -2.221 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.236 4.057 0.452 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.654 3.236 -1.039 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.154 5.672 -0.082 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.325 5.011 1.084 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.223 4.178 0.808 1.00 0.00 H new ATOM 489 N MET A 72 -4.863 7.954 -1.489 1.00 0.00 N ATOM 490 CA MET A 72 -5.381 9.119 -2.198 1.00 0.00 C ATOM 491 C MET A 72 -4.984 10.409 -1.487 1.00 0.00 C ATOM 492 O MET A 72 -4.312 11.265 -2.062 1.00 0.00 O ATOM 493 CB MET A 72 -6.904 9.036 -2.316 1.00 0.00 C ATOM 494 CG MET A 72 -7.388 7.815 -3.082 1.00 0.00 C ATOM 495 SD MET A 72 -7.542 8.121 -4.852 1.00 0.00 S ATOM 496 CE MET A 72 -9.091 9.018 -4.907 1.00 0.00 C ATOM 0 H MET A 72 -5.556 7.228 -1.308 1.00 0.00 H new ATOM 0 HA MET A 72 -4.947 9.127 -3.198 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.338 9.023 -1.316 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.272 9.935 -2.811 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.694 6.990 -2.919 1.00 0.00 H new ATOM 0 HG3 MET A 72 -8.354 7.502 -2.686 1.00 0.00 H new ATOM 0 HE1 MET A 72 -9.678 8.678 -5.760 1.00 0.00 H new ATOM 0 HE2 MET A 72 -9.649 8.838 -3.988 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.890 10.085 -5.006 1.00 0.00 H new ATOM 506 N LEU A 73 -5.404 10.541 -0.234 1.00 0.00 N ATOM 507 CA LEU A 73 -5.093 11.727 0.556 1.00 0.00 C ATOM 508 C LEU A 73 -3.623 12.107 0.412 1.00 0.00 C ATOM 509 O LEU A 73 -3.281 13.287 0.330 1.00 0.00 O ATOM 510 CB LEU A 73 -5.426 11.485 2.030 1.00 0.00 C ATOM 511 CG LEU A 73 -6.913 11.421 2.380 1.00 0.00 C ATOM 512 CD1 LEU A 73 -7.127 10.628 3.660 1.00 0.00 C ATOM 513 CD2 LEU A 73 -7.490 12.823 2.516 1.00 0.00 C ATOM 0 H LEU A 73 -5.961 9.841 0.257 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.701 12.551 0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.960 10.549 2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.968 12.279 2.620 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.435 10.912 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.191 10.593 3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.752 9.613 3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.592 11.108 4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.549 12.758 2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.963 13.358 3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.371 13.358 1.574 1.00 0.00 H new ATOM 525 N HIS A 74 -2.757 11.099 0.379 1.00 0.00 N ATOM 526 CA HIS A 74 -1.323 11.328 0.241 1.00 0.00 C ATOM 527 C HIS A 74 -0.938 11.492 -1.226 1.00 0.00 C ATOM 528 O HIS A 74 0.112 12.050 -1.544 1.00 0.00 O ATOM 529 CB HIS A 74 -0.539 10.170 0.859 1.00 0.00 C ATOM 530 CG HIS A 74 -0.355 10.295 2.341 1.00 0.00 C ATOM 531 ND1 HIS A 74 0.854 10.605 2.926 1.00 0.00 N ATOM 532 CD2 HIS A 74 -1.237 10.150 3.357 1.00 0.00 C ATOM 533 CE1 HIS A 74 0.708 10.645 4.238 1.00 0.00 C ATOM 534 NE2 HIS A 74 -0.552 10.373 4.526 1.00 0.00 N ATOM 0 H HIS A 74 -3.023 10.117 0.446 1.00 0.00 H new ATOM 0 HA HIS A 74 -1.074 12.249 0.769 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.056 9.235 0.643 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.440 10.110 0.383 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -2.285 9.905 3.265 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.487 10.863 4.954 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -0.951 10.335 5.464 1.00 0.00 H new ATOM 542 N GLY A 75 -1.795 11.002 -2.117 1.00 0.00 N ATOM 543 CA GLY A 75 -1.526 11.104 -3.539 1.00 0.00 C ATOM 544 C GLY A 75 -1.486 9.750 -4.220 1.00 0.00 C ATOM 545 O GLY A 75 -1.569 9.661 -5.445 1.00 0.00 O ATOM 0 H GLY A 75 -2.671 10.536 -1.879 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.293 11.720 -4.008 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.573 11.612 -3.690 1.00 0.00 H new ATOM 549 N GLY A 76 -1.358 8.693 -3.425 1.00 0.00 N ATOM 550 CA GLY A 76 -1.307 7.351 -3.976 1.00 0.00 C ATOM 551 C GLY A 76 -2.580 6.978 -4.710 1.00 0.00 C ATOM 552 O GLY A 76 -3.500 7.789 -4.821 1.00 0.00 O ATOM 0 H GLY A 76 -1.289 8.742 -2.409 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.461 7.274 -4.659 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.133 6.637 -3.171 1.00 0.00 H new ATOM 556 N GLN A 77 -2.633 5.749 -5.212 1.00 0.00 N ATOM 557 CA GLN A 77 -3.803 5.271 -5.941 1.00 0.00 C ATOM 558 C GLN A 77 -4.350 3.993 -5.315 1.00 0.00 C ATOM 559 O GLN A 77 -3.693 3.367 -4.482 1.00 0.00 O ATOM 560 CB GLN A 77 -3.450 5.024 -7.408 1.00 0.00 C ATOM 561 CG GLN A 77 -3.077 6.289 -8.165 1.00 0.00 C ATOM 562 CD GLN A 77 -2.320 6.000 -9.447 1.00 0.00 C ATOM 563 OE1 GLN A 77 -1.111 6.217 -9.530 1.00 0.00 O ATOM 564 NE2 GLN A 77 -3.030 5.506 -10.455 1.00 0.00 N ATOM 0 H GLN A 77 -1.880 5.066 -5.128 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.574 6.040 -5.885 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.619 4.321 -7.460 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -4.298 4.551 -7.903 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.983 6.847 -8.400 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.468 6.926 -7.523 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.030 5.342 -10.342 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.575 5.291 -11.342 1.00 0.00 H new ATOM 573 N TYR A 78 -5.556 3.611 -5.719 1.00 0.00 N ATOM 574 CA TYR A 78 -6.193 2.408 -5.196 1.00 0.00 C ATOM 575 C TYR A 78 -7.001 1.703 -6.281 1.00 0.00 C ATOM 576 O TYR A 78 -7.573 2.346 -7.162 1.00 0.00 O ATOM 577 CB TYR A 78 -7.099 2.758 -4.015 1.00 0.00 C ATOM 578 CG TYR A 78 -7.785 1.559 -3.401 1.00 0.00 C ATOM 579 CD1 TYR A 78 -8.781 0.876 -4.088 1.00 0.00 C ATOM 580 CD2 TYR A 78 -7.435 1.107 -2.134 1.00 0.00 C ATOM 581 CE1 TYR A 78 -9.410 -0.220 -3.530 1.00 0.00 C ATOM 582 CE2 TYR A 78 -8.057 0.011 -1.569 1.00 0.00 C ATOM 583 CZ TYR A 78 -9.044 -0.649 -2.271 1.00 0.00 C ATOM 584 OH TYR A 78 -9.668 -1.742 -1.712 1.00 0.00 O ATOM 0 H TYR A 78 -6.113 4.117 -6.408 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.409 1.731 -4.856 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.506 3.258 -3.249 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.856 3.468 -4.347 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.068 1.208 -5.075 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.663 1.622 -1.582 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -10.184 -0.738 -4.076 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.772 -0.327 -0.584 1.00 0.00 H new ATOM 0 HH TYR A 78 -9.045 -2.202 -1.111 1.00 0.00 H new ATOM 594 N HIS A 79 -7.044 0.377 -6.210 1.00 0.00 N ATOM 595 CA HIS A 79 -7.784 -0.417 -7.185 1.00 0.00 C ATOM 596 C HIS A 79 -8.777 -1.344 -6.490 1.00 0.00 C ATOM 597 O HIS A 79 -8.445 -1.996 -5.500 1.00 0.00 O ATOM 598 CB HIS A 79 -6.819 -1.236 -8.044 1.00 0.00 C ATOM 599 CG HIS A 79 -5.821 -0.401 -8.786 1.00 0.00 C ATOM 600 ND1 HIS A 79 -4.495 -0.755 -8.919 1.00 0.00 N ATOM 601 CD2 HIS A 79 -5.962 0.776 -9.438 1.00 0.00 C ATOM 602 CE1 HIS A 79 -3.863 0.170 -9.619 1.00 0.00 C ATOM 603 NE2 HIS A 79 -4.732 1.110 -9.947 1.00 0.00 N ATOM 0 H HIS A 79 -6.576 -0.171 -5.488 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.340 0.266 -7.827 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.287 -1.942 -7.406 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.393 -1.824 -8.760 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.873 1.347 -9.539 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.815 0.160 -9.879 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.523 1.948 -10.490 1.00 0.00 H new ATOM 611 N VAL A 80 -9.997 -1.396 -7.015 1.00 0.00 N ATOM 612 CA VAL A 80 -11.039 -2.243 -6.446 1.00 0.00 C ATOM 613 C VAL A 80 -10.868 -3.693 -6.883 1.00 0.00 C ATOM 614 O VAL A 80 -11.201 -4.619 -6.142 1.00 0.00 O ATOM 615 CB VAL A 80 -12.442 -1.757 -6.854 1.00 0.00 C ATOM 616 CG1 VAL A 80 -13.512 -2.678 -6.288 1.00 0.00 C ATOM 617 CG2 VAL A 80 -12.664 -0.324 -6.395 1.00 0.00 C ATOM 0 H VAL A 80 -10.288 -0.862 -7.834 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.942 -2.180 -5.362 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.513 -1.781 -7.941 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.497 -2.319 -6.587 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.363 -3.688 -6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.444 -2.689 -5.200 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.661 0.003 -6.692 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.573 -0.271 -5.310 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.918 0.325 -6.854 1.00 0.00 H new ATOM 627 N TYR A 81 -10.346 -3.884 -8.089 1.00 0.00 N ATOM 628 CA TYR A 81 -10.132 -5.223 -8.626 1.00 0.00 C ATOM 629 C TYR A 81 -8.645 -5.498 -8.826 1.00 0.00 C ATOM 630 O TYR A 81 -7.902 -4.641 -9.303 1.00 0.00 O ATOM 631 CB TYR A 81 -10.875 -5.387 -9.953 1.00 0.00 C ATOM 632 CG TYR A 81 -12.369 -5.184 -9.839 1.00 0.00 C ATOM 633 CD1 TYR A 81 -12.932 -3.922 -9.981 1.00 0.00 C ATOM 634 CD2 TYR A 81 -13.219 -6.255 -9.590 1.00 0.00 C ATOM 635 CE1 TYR A 81 -14.296 -3.731 -9.877 1.00 0.00 C ATOM 636 CE2 TYR A 81 -14.585 -6.075 -9.486 1.00 0.00 C ATOM 637 CZ TYR A 81 -15.118 -4.811 -9.630 1.00 0.00 C ATOM 638 OH TYR A 81 -16.478 -4.626 -9.527 1.00 0.00 O ATOM 0 H TYR A 81 -10.063 -3.129 -8.714 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.523 -5.943 -7.907 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.474 -4.675 -10.675 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -10.681 -6.384 -10.347 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.291 -3.075 -10.176 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.804 -7.246 -9.476 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -14.716 -2.742 -9.988 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -15.231 -6.919 -9.293 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.913 -5.487 -9.353 1.00 0.00 H new ATOM 648 N TYR A 82 -8.219 -6.701 -8.457 1.00 0.00 N ATOM 649 CA TYR A 82 -6.820 -7.091 -8.594 1.00 0.00 C ATOM 650 C TYR A 82 -6.328 -6.866 -10.020 1.00 0.00 C ATOM 651 O TYR A 82 -7.041 -7.140 -10.985 1.00 0.00 O ATOM 652 CB TYR A 82 -6.639 -8.560 -8.206 1.00 0.00 C ATOM 653 CG TYR A 82 -5.295 -9.129 -8.602 1.00 0.00 C ATOM 654 CD1 TYR A 82 -4.126 -8.405 -8.402 1.00 0.00 C ATOM 655 CD2 TYR A 82 -5.194 -10.390 -9.177 1.00 0.00 C ATOM 656 CE1 TYR A 82 -2.896 -8.920 -8.762 1.00 0.00 C ATOM 657 CE2 TYR A 82 -3.968 -10.913 -9.539 1.00 0.00 C ATOM 658 CZ TYR A 82 -2.822 -10.175 -9.330 1.00 0.00 C ATOM 659 OH TYR A 82 -1.599 -10.693 -9.691 1.00 0.00 O ATOM 0 H TYR A 82 -8.822 -7.423 -8.061 1.00 0.00 H new ATOM 0 HA TYR A 82 -6.228 -6.468 -7.923 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.763 -8.660 -7.128 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -7.427 -9.151 -8.674 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.180 -7.422 -7.957 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.089 -10.971 -9.344 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.997 -8.343 -8.600 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.907 -11.895 -9.984 1.00 0.00 H new ATOM 0 HH TYR A 82 -1.723 -11.586 -10.075 1.00 0.00 H new ATOM 669 N SER A 83 -5.104 -6.364 -10.144 1.00 0.00 N ATOM 670 CA SER A 83 -4.516 -6.098 -11.452 1.00 0.00 C ATOM 671 C SER A 83 -3.045 -6.503 -11.479 1.00 0.00 C ATOM 672 O SER A 83 -2.327 -6.341 -10.492 1.00 0.00 O ATOM 673 CB SER A 83 -4.654 -4.616 -11.805 1.00 0.00 C ATOM 674 OG SER A 83 -5.986 -4.302 -12.176 1.00 0.00 O ATOM 0 H SER A 83 -4.500 -6.133 -9.355 1.00 0.00 H new ATOM 0 HA SER A 83 -5.053 -6.692 -12.191 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.358 -4.006 -10.951 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.977 -4.369 -12.623 1.00 0.00 H new ATOM 0 HG SER A 83 -6.048 -3.349 -12.395 1.00 0.00 H new ATOM 680 N ARG A 84 -2.604 -7.031 -12.616 1.00 0.00 N ATOM 681 CA ARG A 84 -1.220 -7.461 -12.773 1.00 0.00 C ATOM 682 C ARG A 84 -0.365 -6.339 -13.354 1.00 0.00 C ATOM 683 O ARG A 84 0.849 -6.303 -13.153 1.00 0.00 O ATOM 684 CB ARG A 84 -1.146 -8.694 -13.675 1.00 0.00 C ATOM 685 CG ARG A 84 -1.484 -9.993 -12.962 1.00 0.00 C ATOM 686 CD ARG A 84 -1.700 -11.130 -13.948 1.00 0.00 C ATOM 687 NE ARG A 84 -0.468 -11.493 -14.643 1.00 0.00 N ATOM 688 CZ ARG A 84 0.543 -12.131 -14.063 1.00 0.00 C ATOM 689 NH1 ARG A 84 0.467 -12.476 -12.785 1.00 0.00 N ATOM 690 NH2 ARG A 84 1.631 -12.426 -14.762 1.00 0.00 N ATOM 0 H ARG A 84 -3.185 -7.171 -13.442 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.831 -7.717 -11.788 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.830 -8.561 -14.514 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.141 -8.769 -14.091 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.678 -10.253 -12.276 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.383 -9.856 -12.361 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.087 -12.000 -13.418 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.455 -10.839 -14.678 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.379 -11.243 -15.628 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.369 -12.252 -12.245 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.244 -12.966 -12.342 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.692 -12.163 -15.746 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.407 -12.916 -14.316 1.00 0.00 H new ATOM 704 N SER A 85 -1.006 -5.426 -14.076 1.00 0.00 N ATOM 705 CA SER A 85 -0.304 -4.306 -14.690 1.00 0.00 C ATOM 706 C SER A 85 -0.475 -3.037 -13.861 1.00 0.00 C ATOM 707 O SER A 85 0.501 -2.365 -13.524 1.00 0.00 O ATOM 708 CB SER A 85 -0.818 -4.072 -16.112 1.00 0.00 C ATOM 709 OG SER A 85 -0.423 -5.124 -16.977 1.00 0.00 O ATOM 0 H SER A 85 -2.011 -5.440 -14.250 1.00 0.00 H new ATOM 0 HA SER A 85 0.757 -4.553 -14.730 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.905 -3.995 -16.101 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.435 -3.124 -16.489 1.00 0.00 H new ATOM 0 HG SER A 85 -0.765 -4.952 -17.879 1.00 0.00 H new ATOM 715 N LYS A 86 -1.722 -2.714 -13.535 1.00 0.00 N ATOM 716 CA LYS A 86 -2.023 -1.527 -12.744 1.00 0.00 C ATOM 717 C LYS A 86 -1.415 -1.634 -11.349 1.00 0.00 C ATOM 718 O LYS A 86 -0.423 -0.972 -11.040 1.00 0.00 O ATOM 719 CB LYS A 86 -3.537 -1.331 -12.638 1.00 0.00 C ATOM 720 CG LYS A 86 -4.186 -0.891 -13.938 1.00 0.00 C ATOM 721 CD LYS A 86 -4.204 0.623 -14.068 1.00 0.00 C ATOM 722 CE LYS A 86 -4.284 1.057 -15.524 1.00 0.00 C ATOM 723 NZ LYS A 86 -2.935 1.184 -16.140 1.00 0.00 N ATOM 0 H LYS A 86 -2.541 -3.258 -13.807 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.585 -0.665 -13.247 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.994 -2.265 -12.312 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.746 -0.588 -11.868 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.645 -1.323 -14.780 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.206 -1.273 -13.984 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.056 1.026 -13.520 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.306 1.039 -13.612 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.873 0.333 -16.087 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.805 2.012 -15.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.033 1.481 -17.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.381 1.893 -15.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.447 0.266 -16.100 1.00 0.00 H new ATOM 737 N THR A 87 -2.015 -2.472 -10.509 1.00 0.00 N ATOM 738 CA THR A 87 -1.532 -2.666 -9.148 1.00 0.00 C ATOM 739 C THR A 87 -0.070 -3.098 -9.139 1.00 0.00 C ATOM 740 O THR A 87 0.319 -4.024 -9.852 1.00 0.00 O ATOM 741 CB THR A 87 -2.371 -3.718 -8.398 1.00 0.00 C ATOM 742 OG1 THR A 87 -3.646 -3.168 -8.047 1.00 0.00 O ATOM 743 CG2 THR A 87 -1.653 -4.188 -7.142 1.00 0.00 C ATOM 0 H THR A 87 -2.837 -3.027 -10.748 1.00 0.00 H new ATOM 0 HA THR A 87 -1.627 -1.706 -8.640 1.00 0.00 H new ATOM 0 HB THR A 87 -2.514 -4.574 -9.057 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.883 -2.460 -8.682 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.265 -4.930 -6.629 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.696 -4.632 -7.415 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.483 -3.338 -6.481 1.00 0.00 H new ATOM 751 N THR A 88 0.737 -2.423 -8.327 1.00 0.00 N ATOM 752 CA THR A 88 2.157 -2.737 -8.225 1.00 0.00 C ATOM 753 C THR A 88 2.418 -3.748 -7.116 1.00 0.00 C ATOM 754 O THR A 88 3.175 -4.703 -7.297 1.00 0.00 O ATOM 755 CB THR A 88 2.995 -1.472 -7.959 1.00 0.00 C ATOM 756 OG1 THR A 88 2.326 -0.632 -7.011 1.00 0.00 O ATOM 757 CG2 THR A 88 3.234 -0.700 -9.248 1.00 0.00 C ATOM 0 H THR A 88 0.431 -1.655 -7.730 1.00 0.00 H new ATOM 0 HA THR A 88 2.455 -3.166 -9.182 1.00 0.00 H new ATOM 0 HB THR A 88 3.959 -1.780 -7.555 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.669 -0.816 -6.112 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.828 0.189 -9.035 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.769 -1.332 -9.957 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.277 -0.403 -9.677 1.00 0.00 H new ATOM 765 N HIS A 89 1.787 -3.534 -5.965 1.00 0.00 N ATOM 766 CA HIS A 89 1.951 -4.430 -4.825 1.00 0.00 C ATOM 767 C HIS A 89 0.595 -4.864 -4.277 1.00 0.00 C ATOM 768 O HIS A 89 -0.435 -4.275 -4.604 1.00 0.00 O ATOM 769 CB HIS A 89 2.764 -3.746 -3.726 1.00 0.00 C ATOM 770 CG HIS A 89 3.954 -2.994 -4.240 1.00 0.00 C ATOM 771 ND1 HIS A 89 3.854 -1.783 -4.891 1.00 0.00 N ATOM 772 CD2 HIS A 89 5.274 -3.288 -4.193 1.00 0.00 C ATOM 773 CE1 HIS A 89 5.062 -1.365 -5.225 1.00 0.00 C ATOM 774 NE2 HIS A 89 5.942 -2.260 -4.812 1.00 0.00 N ATOM 0 H HIS A 89 1.158 -2.749 -5.797 1.00 0.00 H new ATOM 0 HA HIS A 89 2.487 -5.317 -5.164 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.117 -3.058 -3.182 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.100 -4.498 -3.013 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.719 -4.167 -3.751 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.291 -0.448 -5.747 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.953 -2.198 -4.933 1.00 0.00 H new ATOM 782 N ILE A 90 0.604 -5.898 -3.442 1.00 0.00 N ATOM 783 CA ILE A 90 -0.624 -6.410 -2.848 1.00 0.00 C ATOM 784 C ILE A 90 -0.559 -6.366 -1.325 1.00 0.00 C ATOM 785 O ILE A 90 0.326 -6.965 -0.714 1.00 0.00 O ATOM 786 CB ILE A 90 -0.906 -7.857 -3.297 1.00 0.00 C ATOM 787 CG1 ILE A 90 -1.097 -7.915 -4.814 1.00 0.00 C ATOM 788 CG2 ILE A 90 -2.132 -8.404 -2.582 1.00 0.00 C ATOM 789 CD1 ILE A 90 -1.217 -9.323 -5.354 1.00 0.00 C ATOM 0 H ILE A 90 1.448 -6.397 -3.162 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.433 -5.766 -3.193 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.049 -8.477 -3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.993 -7.354 -5.081 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.255 -7.420 -5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.318 -9.427 -2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.960 -8.393 -1.506 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.997 -7.784 -2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.350 -9.288 -6.435 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.311 -9.882 -5.118 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.076 -9.815 -4.898 1.00 0.00 H new ATOM 801 N ILE A 91 -1.503 -5.653 -0.719 1.00 0.00 N ATOM 802 CA ILE A 91 -1.554 -5.533 0.733 1.00 0.00 C ATOM 803 C ILE A 91 -2.362 -6.670 1.350 1.00 0.00 C ATOM 804 O ILE A 91 -3.560 -6.799 1.104 1.00 0.00 O ATOM 805 CB ILE A 91 -2.168 -4.189 1.165 1.00 0.00 C ATOM 806 CG1 ILE A 91 -1.383 -3.025 0.557 1.00 0.00 C ATOM 807 CG2 ILE A 91 -2.194 -4.082 2.682 1.00 0.00 C ATOM 808 CD1 ILE A 91 0.004 -2.863 1.138 1.00 0.00 C ATOM 0 H ILE A 91 -2.242 -5.150 -1.211 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.526 -5.585 1.091 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.194 -4.141 0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.302 -3.175 -0.520 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.942 -2.102 0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.631 -3.126 2.972 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.793 -4.894 3.094 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.177 -4.148 3.069 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.502 -2.019 0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.070 -2.681 2.210 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.580 -3.771 0.963 1.00 0.00 H new ATOM 820 N ALA A 92 -1.696 -7.492 2.155 1.00 0.00 N ATOM 821 CA ALA A 92 -2.353 -8.616 2.812 1.00 0.00 C ATOM 822 C ALA A 92 -1.549 -9.093 4.016 1.00 0.00 C ATOM 823 O ALA A 92 -0.318 -9.114 3.987 1.00 0.00 O ATOM 824 CB ALA A 92 -2.557 -9.756 1.826 1.00 0.00 C ATOM 0 H ALA A 92 -0.703 -7.401 2.368 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.327 -8.279 3.168 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.048 -10.589 2.329 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.179 -9.414 0.998 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.590 -10.083 1.443 1.00 0.00 H new ATOM 830 N THR A 93 -2.253 -9.477 5.077 1.00 0.00 N ATOM 831 CA THR A 93 -1.606 -9.952 6.293 1.00 0.00 C ATOM 832 C THR A 93 -1.148 -11.398 6.143 1.00 0.00 C ATOM 833 O THR A 93 0.002 -11.728 6.432 1.00 0.00 O ATOM 834 CB THR A 93 -2.546 -9.847 7.508 1.00 0.00 C ATOM 835 OG1 THR A 93 -3.428 -10.975 7.544 1.00 0.00 O ATOM 836 CG2 THR A 93 -3.359 -8.563 7.454 1.00 0.00 C ATOM 0 H THR A 93 -3.272 -9.468 5.118 1.00 0.00 H new ATOM 0 HA THR A 93 -0.738 -9.314 6.459 1.00 0.00 H new ATOM 0 HB THR A 93 -1.936 -9.834 8.411 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.021 -10.902 8.320 1.00 0.00 H new ATOM 0 HG21 THR A 93 -4.016 -8.511 8.323 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.686 -7.706 7.456 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.959 -8.550 6.544 1.00 0.00 H new ATOM 844 N ASN A 94 -2.054 -12.257 5.687 1.00 0.00 N ATOM 845 CA ASN A 94 -1.742 -13.669 5.498 1.00 0.00 C ATOM 846 C ASN A 94 -2.543 -14.252 4.338 1.00 0.00 C ATOM 847 O ASN A 94 -3.636 -13.779 4.023 1.00 0.00 O ATOM 848 CB ASN A 94 -2.034 -14.453 6.779 1.00 0.00 C ATOM 849 CG ASN A 94 -2.421 -15.893 6.500 1.00 0.00 C ATOM 850 OD1 ASN A 94 -1.561 -16.752 6.306 1.00 0.00 O ATOM 851 ND2 ASN A 94 -3.721 -16.162 6.478 1.00 0.00 N ATOM 0 H ASN A 94 -3.010 -12.000 5.442 1.00 0.00 H new ATOM 0 HA ASN A 94 -0.681 -13.753 5.262 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -1.154 -14.434 7.422 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -2.839 -13.963 7.326 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -4.042 -17.113 6.295 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -4.399 -15.418 6.644 1.00 0.00 H new ATOM 858 N LEU A 95 -1.992 -15.282 3.705 1.00 0.00 N ATOM 859 CA LEU A 95 -2.654 -15.931 2.579 1.00 0.00 C ATOM 860 C LEU A 95 -2.498 -17.447 2.655 1.00 0.00 C ATOM 861 O LEU A 95 -1.469 -17.968 3.086 1.00 0.00 O ATOM 862 CB LEU A 95 -2.082 -15.414 1.258 1.00 0.00 C ATOM 863 CG LEU A 95 -2.204 -13.909 1.017 1.00 0.00 C ATOM 864 CD1 LEU A 95 -1.254 -13.466 -0.084 1.00 0.00 C ATOM 865 CD2 LEU A 95 -3.638 -13.538 0.668 1.00 0.00 C ATOM 0 H LEU A 95 -1.088 -15.686 3.952 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.716 -15.691 2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.027 -15.685 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.581 -15.934 0.441 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.930 -13.391 1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.355 -12.392 -0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.229 -13.695 0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.496 -13.992 -1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.705 -12.463 0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.941 -14.066 -0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.297 -13.819 1.490 1.00 0.00 H new ATOM 877 N PRO A 96 -3.541 -18.172 2.226 1.00 0.00 N ATOM 878 CA PRO A 96 -3.543 -19.638 2.233 1.00 0.00 C ATOM 879 C PRO A 96 -2.585 -20.224 1.200 1.00 0.00 C ATOM 880 O PRO A 96 -2.267 -19.582 0.200 1.00 0.00 O ATOM 881 CB PRO A 96 -4.990 -19.993 1.881 1.00 0.00 C ATOM 882 CG PRO A 96 -5.493 -18.817 1.117 1.00 0.00 C ATOM 883 CD PRO A 96 -4.799 -17.617 1.699 1.00 0.00 C ATOM 0 HA PRO A 96 -3.211 -20.041 3.190 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.040 -20.904 1.284 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.585 -20.166 2.778 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.272 -18.918 0.054 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.575 -18.725 1.210 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.616 -16.853 0.943 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.393 -17.151 2.485 1.00 0.00 H new ATOM 891 N ASN A 97 -2.129 -21.447 1.450 1.00 0.00 N ATOM 892 CA ASN A 97 -1.207 -22.119 0.542 1.00 0.00 C ATOM 893 C ASN A 97 -1.697 -22.024 -0.900 1.00 0.00 C ATOM 894 O ASN A 97 -0.907 -21.837 -1.824 1.00 0.00 O ATOM 895 CB ASN A 97 -1.044 -23.587 0.941 1.00 0.00 C ATOM 896 CG ASN A 97 -0.081 -23.768 2.098 1.00 0.00 C ATOM 897 OD1 ASN A 97 0.877 -23.009 2.248 1.00 0.00 O ATOM 898 ND2 ASN A 97 -0.331 -24.778 2.924 1.00 0.00 N ATOM 0 H ASN A 97 -2.383 -21.993 2.274 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.240 -21.621 0.612 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.017 -23.997 1.214 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.688 -24.157 0.083 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.283 -24.949 3.721 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.137 -25.382 2.762 1.00 0.00 H new ATOM 905 N ALA A 98 -3.007 -22.153 -1.083 1.00 0.00 N ATOM 906 CA ALA A 98 -3.604 -22.079 -2.411 1.00 0.00 C ATOM 907 C ALA A 98 -3.352 -20.718 -3.051 1.00 0.00 C ATOM 908 O ALA A 98 -2.908 -20.631 -4.196 1.00 0.00 O ATOM 909 CB ALA A 98 -5.097 -22.360 -2.335 1.00 0.00 C ATOM 0 H ALA A 98 -3.675 -22.309 -0.328 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.134 -22.838 -3.036 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.530 -22.301 -3.334 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.259 -23.358 -1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.574 -21.622 -1.689 1.00 0.00 H new ATOM 915 N LYS A 99 -3.639 -19.656 -2.305 1.00 0.00 N ATOM 916 CA LYS A 99 -3.443 -18.298 -2.798 1.00 0.00 C ATOM 917 C LYS A 99 -1.987 -18.065 -3.188 1.00 0.00 C ATOM 918 O LYS A 99 -1.694 -17.642 -4.306 1.00 0.00 O ATOM 919 CB LYS A 99 -3.867 -17.282 -1.736 1.00 0.00 C ATOM 920 CG LYS A 99 -5.333 -16.895 -1.814 1.00 0.00 C ATOM 921 CD LYS A 99 -5.625 -16.062 -3.051 1.00 0.00 C ATOM 922 CE LYS A 99 -7.084 -16.172 -3.466 1.00 0.00 C ATOM 923 NZ LYS A 99 -7.367 -17.459 -4.161 1.00 0.00 N ATOM 0 H LYS A 99 -4.008 -19.710 -1.356 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.063 -18.167 -3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.661 -17.694 -0.748 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -3.257 -16.385 -1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.948 -17.795 -1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.610 -16.333 -0.922 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.379 -15.018 -2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.987 -16.391 -3.871 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.720 -16.088 -2.585 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.338 -15.341 -4.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.338 -17.447 -4.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.698 -17.584 -4.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.263 -18.246 -3.490 1.00 0.00 H new ATOM 937 N ILE A 100 -1.079 -18.345 -2.259 1.00 0.00 N ATOM 938 CA ILE A 100 0.347 -18.168 -2.507 1.00 0.00 C ATOM 939 C ILE A 100 0.726 -18.653 -3.902 1.00 0.00 C ATOM 940 O ILE A 100 1.300 -17.907 -4.696 1.00 0.00 O ATOM 941 CB ILE A 100 1.197 -18.920 -1.465 1.00 0.00 C ATOM 942 CG1 ILE A 100 0.903 -18.393 -0.059 1.00 0.00 C ATOM 943 CG2 ILE A 100 2.677 -18.781 -1.790 1.00 0.00 C ATOM 944 CD1 ILE A 100 1.385 -19.311 1.042 1.00 0.00 C ATOM 0 H ILE A 100 -1.305 -18.695 -1.328 1.00 0.00 H new ATOM 0 HA ILE A 100 0.552 -17.100 -2.428 1.00 0.00 H new ATOM 0 HB ILE A 100 0.935 -19.978 -1.498 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.374 -17.417 0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.172 -18.244 0.047 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.265 -19.317 -1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.874 -19.199 -2.777 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.954 -17.727 -1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.143 -18.875 2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.895 -20.280 0.948 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.464 -19.440 0.961 1.00 0.00 H new ATOM 956 N LYS A 101 0.401 -19.908 -4.195 1.00 0.00 N ATOM 957 CA LYS A 101 0.704 -20.493 -5.495 1.00 0.00 C ATOM 958 C LYS A 101 0.115 -19.651 -6.622 1.00 0.00 C ATOM 959 O LYS A 101 0.717 -19.515 -7.687 1.00 0.00 O ATOM 960 CB LYS A 101 0.159 -21.921 -5.574 1.00 0.00 C ATOM 961 CG LYS A 101 0.319 -22.559 -6.944 1.00 0.00 C ATOM 962 CD LYS A 101 -0.107 -24.017 -6.933 1.00 0.00 C ATOM 963 CE LYS A 101 0.960 -24.904 -6.310 1.00 0.00 C ATOM 964 NZ LYS A 101 2.231 -24.872 -7.085 1.00 0.00 N ATOM 0 H LYS A 101 -0.073 -20.539 -3.549 1.00 0.00 H new ATOM 0 HA LYS A 101 1.788 -20.516 -5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.669 -22.537 -4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.898 -21.913 -5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.277 -22.010 -7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.359 -22.485 -7.262 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.039 -24.121 -6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.306 -24.347 -7.953 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.150 -24.579 -5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.594 -25.929 -6.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.786 -25.727 -6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.017 -24.837 -8.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.779 -24.030 -6.818 1.00 0.00 H new ATOM 978 N GLU A 102 -1.063 -19.086 -6.379 1.00 0.00 N ATOM 979 CA GLU A 102 -1.731 -18.255 -7.374 1.00 0.00 C ATOM 980 C GLU A 102 -0.989 -16.937 -7.570 1.00 0.00 C ATOM 981 O GLU A 102 -0.872 -16.437 -8.690 1.00 0.00 O ATOM 982 CB GLU A 102 -3.177 -17.982 -6.955 1.00 0.00 C ATOM 983 CG GLU A 102 -3.902 -17.008 -7.869 1.00 0.00 C ATOM 984 CD GLU A 102 -4.176 -17.591 -9.242 1.00 0.00 C ATOM 985 OE1 GLU A 102 -3.237 -18.148 -9.848 1.00 0.00 O ATOM 986 OE2 GLU A 102 -5.329 -17.489 -9.711 1.00 0.00 O ATOM 0 H GLU A 102 -1.574 -19.188 -5.502 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.730 -18.796 -8.320 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.725 -18.924 -6.935 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.184 -17.587 -5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.845 -16.716 -7.408 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.305 -16.102 -7.975 1.00 0.00 H new ATOM 993 N LEU A 103 -0.489 -16.378 -6.473 1.00 0.00 N ATOM 994 CA LEU A 103 0.242 -15.116 -6.522 1.00 0.00 C ATOM 995 C LEU A 103 1.736 -15.360 -6.709 1.00 0.00 C ATOM 996 O LEU A 103 2.565 -14.735 -6.049 1.00 0.00 O ATOM 997 CB LEU A 103 0.000 -14.314 -5.242 1.00 0.00 C ATOM 998 CG LEU A 103 -1.461 -14.117 -4.839 1.00 0.00 C ATOM 999 CD1 LEU A 103 -1.560 -13.677 -3.386 1.00 0.00 C ATOM 1000 CD2 LEU A 103 -2.135 -13.103 -5.752 1.00 0.00 C ATOM 0 H LEU A 103 -0.576 -16.779 -5.539 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.124 -14.545 -7.375 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.518 -14.812 -4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.459 -13.332 -5.360 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.978 -15.071 -4.945 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.608 -13.542 -3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.116 -14.438 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.027 -12.735 -3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.175 -12.976 -5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.616 -12.147 -5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.097 -13.459 -6.782 1.00 0.00 H new ATOM 1012 N LYS A 104 2.072 -16.271 -7.616 1.00 0.00 N ATOM 1013 CA LYS A 104 3.466 -16.596 -7.894 1.00 0.00 C ATOM 1014 C LYS A 104 4.150 -15.458 -8.646 1.00 0.00 C ATOM 1015 O LYS A 104 3.810 -15.165 -9.791 1.00 0.00 O ATOM 1016 CB LYS A 104 3.558 -17.888 -8.709 1.00 0.00 C ATOM 1017 CG LYS A 104 4.950 -18.495 -8.733 1.00 0.00 C ATOM 1018 CD LYS A 104 5.312 -19.111 -7.392 1.00 0.00 C ATOM 1019 CE LYS A 104 4.814 -20.544 -7.285 1.00 0.00 C ATOM 1020 NZ LYS A 104 5.726 -21.501 -7.971 1.00 0.00 N ATOM 0 H LYS A 104 1.398 -16.798 -8.171 1.00 0.00 H new ATOM 0 HA LYS A 104 3.977 -16.738 -6.942 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.860 -18.617 -8.298 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.242 -17.685 -9.732 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.002 -19.257 -9.511 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.679 -17.726 -8.990 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.394 -19.090 -7.261 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.882 -18.514 -6.588 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.723 -20.819 -6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.818 -20.616 -7.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.352 -22.467 -7.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.794 -21.254 -8.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.670 -21.451 -7.538 1.00 0.00 H new ATOM 1034 N GLY A 105 5.119 -14.821 -7.994 1.00 0.00 N ATOM 1035 CA GLY A 105 5.836 -13.725 -8.617 1.00 0.00 C ATOM 1036 C GLY A 105 5.498 -12.384 -7.996 1.00 0.00 C ATOM 1037 O GLY A 105 6.390 -11.628 -7.612 1.00 0.00 O ATOM 0 H GLY A 105 5.419 -15.045 -7.045 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.908 -13.901 -8.532 1.00 0.00 H new ATOM 0 HA3 GLY A 105 5.601 -13.699 -9.681 1.00 0.00 H new ATOM 1041 N GLU A 106 4.205 -12.087 -7.899 1.00 0.00 N ATOM 1042 CA GLU A 106 3.753 -10.826 -7.322 1.00 0.00 C ATOM 1043 C GLU A 106 4.481 -10.534 -6.014 1.00 0.00 C ATOM 1044 O GLU A 106 5.209 -11.379 -5.492 1.00 0.00 O ATOM 1045 CB GLU A 106 2.243 -10.863 -7.081 1.00 0.00 C ATOM 1046 CG GLU A 106 1.422 -10.444 -8.289 1.00 0.00 C ATOM 1047 CD GLU A 106 1.929 -9.163 -8.922 1.00 0.00 C ATOM 1048 OE1 GLU A 106 1.771 -8.091 -8.301 1.00 0.00 O ATOM 1049 OE2 GLU A 106 2.484 -9.232 -10.039 1.00 0.00 O ATOM 0 H GLU A 106 3.454 -12.702 -8.212 1.00 0.00 H new ATOM 0 HA GLU A 106 3.982 -10.029 -8.030 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.955 -11.873 -6.790 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.001 -10.208 -6.244 1.00 0.00 H new ATOM 0 HG2 GLU A 106 1.439 -11.243 -9.030 1.00 0.00 H new ATOM 0 HG3 GLU A 106 0.383 -10.310 -7.989 1.00 0.00 H new ATOM 1056 N LYS A 107 4.281 -9.330 -5.488 1.00 0.00 N ATOM 1057 CA LYS A 107 4.917 -8.924 -4.240 1.00 0.00 C ATOM 1058 C LYS A 107 3.873 -8.512 -3.207 1.00 0.00 C ATOM 1059 O LYS A 107 3.271 -7.444 -3.310 1.00 0.00 O ATOM 1060 CB LYS A 107 5.886 -7.767 -4.491 1.00 0.00 C ATOM 1061 CG LYS A 107 7.078 -8.148 -5.353 1.00 0.00 C ATOM 1062 CD LYS A 107 8.175 -7.099 -5.282 1.00 0.00 C ATOM 1063 CE LYS A 107 9.348 -7.458 -6.180 1.00 0.00 C ATOM 1064 NZ LYS A 107 10.300 -8.384 -5.506 1.00 0.00 N ATOM 0 H LYS A 107 3.683 -8.618 -5.907 1.00 0.00 H new ATOM 0 HA LYS A 107 5.472 -9.777 -3.849 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.347 -6.950 -4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.246 -7.391 -3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.472 -9.110 -5.026 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.756 -8.270 -6.387 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.773 -6.130 -5.577 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.520 -7.001 -4.253 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.977 -7.921 -7.094 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.872 -6.549 -6.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 11.255 -7.974 -5.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.004 -8.528 -4.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.306 -9.298 -6.003 1.00 0.00 H new ATOM 1078 N VAL A 108 3.665 -9.366 -2.209 1.00 0.00 N ATOM 1079 CA VAL A 108 2.696 -9.089 -1.156 1.00 0.00 C ATOM 1080 C VAL A 108 3.359 -8.405 0.035 1.00 0.00 C ATOM 1081 O VAL A 108 4.188 -9.002 0.724 1.00 0.00 O ATOM 1082 CB VAL A 108 2.007 -10.380 -0.674 1.00 0.00 C ATOM 1083 CG1 VAL A 108 0.935 -10.060 0.357 1.00 0.00 C ATOM 1084 CG2 VAL A 108 1.415 -11.139 -1.852 1.00 0.00 C ATOM 0 H VAL A 108 4.155 -10.255 -2.108 1.00 0.00 H new ATOM 0 HA VAL A 108 1.946 -8.423 -1.583 1.00 0.00 H new ATOM 0 HB VAL A 108 2.755 -11.016 -0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.459 -10.984 0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.390 -9.562 1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.186 -9.405 -0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.932 -12.048 -1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.679 -10.512 -2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.209 -11.401 -2.552 1.00 0.00 H new ATOM 1094 N ILE A 109 2.990 -7.151 0.271 1.00 0.00 N ATOM 1095 CA ILE A 109 3.548 -6.387 1.380 1.00 0.00 C ATOM 1096 C ILE A 109 2.506 -6.160 2.470 1.00 0.00 C ATOM 1097 O ILE A 109 1.367 -5.787 2.187 1.00 0.00 O ATOM 1098 CB ILE A 109 4.087 -5.023 0.908 1.00 0.00 C ATOM 1099 CG1 ILE A 109 4.913 -5.191 -0.369 1.00 0.00 C ATOM 1100 CG2 ILE A 109 4.920 -4.376 2.004 1.00 0.00 C ATOM 1101 CD1 ILE A 109 6.161 -6.025 -0.176 1.00 0.00 C ATOM 0 H ILE A 109 2.307 -6.642 -0.291 1.00 0.00 H new ATOM 0 HA ILE A 109 4.372 -6.974 1.785 1.00 0.00 H new ATOM 0 HB ILE A 109 3.242 -4.370 0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.292 -5.654 -1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.197 -4.206 -0.740 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.294 -3.413 1.656 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.303 -4.227 2.890 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.761 -5.024 2.252 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.697 -6.102 -1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.803 -5.553 0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.883 -7.022 0.166 1.00 0.00 H new ATOM 1113 N ARG A 110 2.905 -6.385 3.718 1.00 0.00 N ATOM 1114 CA ARG A 110 2.006 -6.204 4.851 1.00 0.00 C ATOM 1115 C ARG A 110 1.502 -4.765 4.921 1.00 0.00 C ATOM 1116 O ARG A 110 2.158 -3.829 4.466 1.00 0.00 O ATOM 1117 CB ARG A 110 2.716 -6.571 6.156 1.00 0.00 C ATOM 1118 CG ARG A 110 3.138 -8.029 6.230 1.00 0.00 C ATOM 1119 CD ARG A 110 3.655 -8.390 7.614 1.00 0.00 C ATOM 1120 NE ARG A 110 5.063 -8.041 7.780 1.00 0.00 N ATOM 1121 CZ ARG A 110 5.722 -8.171 8.927 1.00 0.00 C ATOM 1122 NH1 ARG A 110 5.103 -8.638 10.002 1.00 0.00 N ATOM 1123 NH2 ARG A 110 7.003 -7.833 8.999 1.00 0.00 N ATOM 0 H ARG A 110 3.844 -6.693 3.970 1.00 0.00 H new ATOM 0 HA ARG A 110 1.150 -6.864 4.713 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.598 -5.940 6.270 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.055 -6.350 6.994 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.291 -8.667 5.979 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.913 -8.223 5.489 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.062 -7.873 8.369 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.524 -9.459 7.783 1.00 0.00 H new ATOM 0 HE ARG A 110 5.568 -7.678 6.972 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.118 -8.899 9.950 1.00 0.00 H new ATOM 0 HH12 ARG A 110 5.611 -8.737 10.881 1.00 0.00 H new ATOM 0 HH21 ARG A 110 7.483 -7.473 8.174 1.00 0.00 H new ATOM 0 HH22 ARG A 110 7.508 -7.933 9.879 1.00 0.00 H new ATOM 1137 N PRO A 111 0.308 -4.584 5.504 1.00 0.00 N ATOM 1138 CA PRO A 111 -0.311 -3.263 5.648 1.00 0.00 C ATOM 1139 C PRO A 111 0.423 -2.385 6.655 1.00 0.00 C ATOM 1140 O PRO A 111 0.008 -1.260 6.930 1.00 0.00 O ATOM 1141 CB PRO A 111 -1.722 -3.585 6.147 1.00 0.00 C ATOM 1142 CG PRO A 111 -1.592 -4.905 6.824 1.00 0.00 C ATOM 1143 CD PRO A 111 -0.530 -5.655 6.069 1.00 0.00 C ATOM 0 HA PRO A 111 -0.292 -2.700 4.715 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -2.082 -2.821 6.836 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -2.433 -3.632 5.322 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.313 -4.781 7.870 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -2.538 -5.446 6.808 1.00 0.00 H new ATOM 0 HD2 PRO A 111 0.043 -6.310 6.726 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.960 -6.283 5.289 1.00 0.00 H new ATOM 1151 N GLU A 112 1.517 -2.908 7.202 1.00 0.00 N ATOM 1152 CA GLU A 112 2.308 -2.170 8.180 1.00 0.00 C ATOM 1153 C GLU A 112 3.357 -1.304 7.488 1.00 0.00 C ATOM 1154 O GLU A 112 3.650 -0.193 7.930 1.00 0.00 O ATOM 1155 CB GLU A 112 2.988 -3.136 9.152 1.00 0.00 C ATOM 1156 CG GLU A 112 2.087 -3.592 10.287 1.00 0.00 C ATOM 1157 CD GLU A 112 2.485 -4.947 10.840 1.00 0.00 C ATOM 1158 OE1 GLU A 112 3.440 -5.002 11.642 1.00 0.00 O ATOM 1159 OE2 GLU A 112 1.841 -5.951 10.470 1.00 0.00 O ATOM 0 H GLU A 112 1.875 -3.838 6.985 1.00 0.00 H new ATOM 0 HA GLU A 112 1.635 -1.519 8.738 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.334 -4.010 8.600 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.871 -2.654 9.572 1.00 0.00 H new ATOM 0 HG2 GLU A 112 2.117 -2.854 11.088 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.057 -3.637 9.933 1.00 0.00 H new ATOM 1166 N TRP A 113 3.920 -1.822 6.402 1.00 0.00 N ATOM 1167 CA TRP A 113 4.938 -1.097 5.650 1.00 0.00 C ATOM 1168 C TRP A 113 4.480 0.326 5.346 1.00 0.00 C ATOM 1169 O TRP A 113 5.267 1.270 5.423 1.00 0.00 O ATOM 1170 CB TRP A 113 5.258 -1.832 4.347 1.00 0.00 C ATOM 1171 CG TRP A 113 6.070 -1.015 3.389 1.00 0.00 C ATOM 1172 CD1 TRP A 113 7.311 -0.488 3.608 1.00 0.00 C ATOM 1173 CD2 TRP A 113 5.698 -0.630 2.061 1.00 0.00 C ATOM 1174 NE1 TRP A 113 7.732 0.201 2.496 1.00 0.00 N ATOM 1175 CE2 TRP A 113 6.761 0.128 1.533 1.00 0.00 C ATOM 1176 CE3 TRP A 113 4.571 -0.854 1.265 1.00 0.00 C ATOM 1177 CZ2 TRP A 113 6.728 0.663 0.248 1.00 0.00 C ATOM 1178 CZ3 TRP A 113 4.539 -0.323 -0.010 1.00 0.00 C ATOM 1179 CH2 TRP A 113 5.612 0.428 -0.509 1.00 0.00 C ATOM 0 H TRP A 113 3.689 -2.740 6.023 1.00 0.00 H new ATOM 0 HA TRP A 113 5.839 -1.046 6.261 1.00 0.00 H new ATOM 0 HB2 TRP A 113 5.798 -2.750 4.579 1.00 0.00 H new ATOM 0 HB3 TRP A 113 4.325 -2.124 3.864 1.00 0.00 H new ATOM 0 HD1 TRP A 113 7.878 -0.597 4.521 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.623 0.688 2.403 1.00 0.00 H new ATOM 0 HE3 TRP A 113 3.740 -1.432 1.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 7.554 1.243 -0.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 3.672 -0.489 -0.633 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.557 0.829 -1.510 1.00 0.00 H new ATOM 1190 N ILE A 114 3.205 0.472 5.003 1.00 0.00 N ATOM 1191 CA ILE A 114 2.644 1.780 4.689 1.00 0.00 C ATOM 1192 C ILE A 114 2.374 2.581 5.959 1.00 0.00 C ATOM 1193 O ILE A 114 2.983 3.626 6.188 1.00 0.00 O ATOM 1194 CB ILE A 114 1.336 1.654 3.887 1.00 0.00 C ATOM 1195 CG1 ILE A 114 1.611 1.036 2.514 1.00 0.00 C ATOM 1196 CG2 ILE A 114 0.673 3.015 3.738 1.00 0.00 C ATOM 1197 CD1 ILE A 114 0.360 0.792 1.700 1.00 0.00 C ATOM 0 H ILE A 114 2.541 -0.299 4.935 1.00 0.00 H new ATOM 0 HA ILE A 114 3.383 2.303 4.082 1.00 0.00 H new ATOM 0 HB ILE A 114 0.656 0.998 4.430 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.276 1.694 1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 114 2.137 0.091 2.649 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.251 2.909 3.169 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.447 3.420 4.725 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.347 3.693 3.214 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.631 0.353 0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.297 0.109 2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.156 1.738 1.534 1.00 0.00 H new ATOM 1209 N VAL A 115 1.458 2.082 6.782 1.00 0.00 N ATOM 1210 CA VAL A 115 1.108 2.749 8.031 1.00 0.00 C ATOM 1211 C VAL A 115 2.343 3.339 8.703 1.00 0.00 C ATOM 1212 O VAL A 115 2.392 4.533 8.994 1.00 0.00 O ATOM 1213 CB VAL A 115 0.417 1.781 9.010 1.00 0.00 C ATOM 1214 CG1 VAL A 115 0.203 2.449 10.360 1.00 0.00 C ATOM 1215 CG2 VAL A 115 -0.902 1.292 8.433 1.00 0.00 C ATOM 0 H VAL A 115 0.945 1.218 6.607 1.00 0.00 H new ATOM 0 HA VAL A 115 0.416 3.553 7.778 1.00 0.00 H new ATOM 0 HB VAL A 115 1.065 0.917 9.158 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.286 1.750 11.038 1.00 0.00 H new ATOM 0 HG12 VAL A 115 1.166 2.745 10.776 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.424 3.331 10.234 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.377 0.609 9.138 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.559 2.143 8.254 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.717 0.772 7.493 1.00 0.00 H new ATOM 1225 N GLU A 116 3.338 2.492 8.947 1.00 0.00 N ATOM 1226 CA GLU A 116 4.574 2.931 9.586 1.00 0.00 C ATOM 1227 C GLU A 116 5.208 4.083 8.811 1.00 0.00 C ATOM 1228 O GLU A 116 5.595 5.097 9.392 1.00 0.00 O ATOM 1229 CB GLU A 116 5.562 1.767 9.690 1.00 0.00 C ATOM 1230 CG GLU A 116 5.122 0.680 10.656 1.00 0.00 C ATOM 1231 CD GLU A 116 5.305 1.080 12.107 1.00 0.00 C ATOM 1232 OE1 GLU A 116 5.188 2.286 12.409 1.00 0.00 O ATOM 1233 OE2 GLU A 116 5.565 0.187 12.940 1.00 0.00 O ATOM 0 H GLU A 116 3.313 1.500 8.713 1.00 0.00 H new ATOM 0 HA GLU A 116 4.330 3.281 10.589 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.700 1.329 8.701 1.00 0.00 H new ATOM 0 HB3 GLU A 116 6.532 2.152 10.006 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.073 0.444 10.478 1.00 0.00 H new ATOM 0 HG3 GLU A 116 5.691 -0.228 10.459 1.00 0.00 H new ATOM 1240 N SER A 117 5.310 3.918 7.496 1.00 0.00 N ATOM 1241 CA SER A 117 5.901 4.941 6.642 1.00 0.00 C ATOM 1242 C SER A 117 5.229 6.292 6.868 1.00 0.00 C ATOM 1243 O SER A 117 5.899 7.316 7.002 1.00 0.00 O ATOM 1244 CB SER A 117 5.781 4.539 5.171 1.00 0.00 C ATOM 1245 OG SER A 117 6.783 3.603 4.815 1.00 0.00 O ATOM 0 H SER A 117 4.991 3.086 6.999 1.00 0.00 H new ATOM 0 HA SER A 117 6.956 5.031 6.902 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.796 4.110 4.987 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.865 5.424 4.541 1.00 0.00 H new ATOM 0 HG SER A 117 6.442 2.693 4.943 1.00 0.00 H new ATOM 1251 N ILE A 118 3.900 6.286 6.908 1.00 0.00 N ATOM 1252 CA ILE A 118 3.137 7.509 7.118 1.00 0.00 C ATOM 1253 C ILE A 118 3.484 8.150 8.457 1.00 0.00 C ATOM 1254 O ILE A 118 3.950 9.288 8.512 1.00 0.00 O ATOM 1255 CB ILE A 118 1.621 7.242 7.067 1.00 0.00 C ATOM 1256 CG1 ILE A 118 1.238 6.604 5.730 1.00 0.00 C ATOM 1257 CG2 ILE A 118 0.848 8.535 7.283 1.00 0.00 C ATOM 1258 CD1 ILE A 118 -0.165 6.039 5.710 1.00 0.00 C ATOM 0 H ILE A 118 3.330 5.447 6.798 1.00 0.00 H new ATOM 0 HA ILE A 118 3.405 8.191 6.311 1.00 0.00 H new ATOM 0 HB ILE A 118 1.362 6.548 7.867 1.00 0.00 H new ATOM 0 HG12 ILE A 118 1.332 7.350 4.941 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.945 5.807 5.501 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.222 8.330 7.244 1.00 0.00 H new ATOM 0 HG22 ILE A 118 1.102 8.953 8.257 1.00 0.00 H new ATOM 0 HG23 ILE A 118 1.109 9.250 6.503 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -0.368 5.603 4.732 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -0.258 5.270 6.477 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -0.881 6.837 5.907 1.00 0.00 H new ATOM 1270 N LYS A 119 3.255 7.411 9.538 1.00 0.00 N ATOM 1271 CA LYS A 119 3.546 7.905 10.879 1.00 0.00 C ATOM 1272 C LYS A 119 4.932 8.540 10.936 1.00 0.00 C ATOM 1273 O LYS A 119 5.126 9.572 11.577 1.00 0.00 O ATOM 1274 CB LYS A 119 3.453 6.765 11.895 1.00 0.00 C ATOM 1275 CG LYS A 119 2.028 6.394 12.265 1.00 0.00 C ATOM 1276 CD LYS A 119 1.991 5.293 13.311 1.00 0.00 C ATOM 1277 CE LYS A 119 0.714 4.473 13.213 1.00 0.00 C ATOM 1278 NZ LYS A 119 -0.464 5.215 13.740 1.00 0.00 N ATOM 0 H LYS A 119 2.869 6.467 9.511 1.00 0.00 H new ATOM 0 HA LYS A 119 2.807 8.666 11.128 1.00 0.00 H new ATOM 0 HB2 LYS A 119 3.954 5.886 11.489 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.991 7.050 12.799 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.509 7.274 12.644 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.493 6.068 11.373 1.00 0.00 H new ATOM 0 HD2 LYS A 119 2.854 4.640 13.184 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.067 5.732 14.306 1.00 0.00 H new ATOM 0 HE2 LYS A 119 0.536 4.201 12.173 1.00 0.00 H new ATOM 0 HE3 LYS A 119 0.836 3.543 13.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.314 4.622 13.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -0.306 5.452 14.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -0.596 6.090 13.193 1.00 0.00 H new ATOM 1292 N ALA A 120 5.892 7.916 10.260 1.00 0.00 N ATOM 1293 CA ALA A 120 7.259 8.422 10.232 1.00 0.00 C ATOM 1294 C ALA A 120 7.388 9.601 9.272 1.00 0.00 C ATOM 1295 O ALA A 120 8.202 10.498 9.482 1.00 0.00 O ATOM 1296 CB ALA A 120 8.224 7.313 9.841 1.00 0.00 C ATOM 0 H ALA A 120 5.748 7.060 9.725 1.00 0.00 H new ATOM 0 HA ALA A 120 7.511 8.772 11.233 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.241 7.705 9.824 1.00 0.00 H new ATOM 0 HB2 ALA A 120 8.160 6.502 10.567 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.964 6.936 8.852 1.00 0.00 H new ATOM 1302 N GLY A 121 6.578 9.590 8.217 1.00 0.00 N ATOM 1303 CA GLY A 121 6.619 10.663 7.241 1.00 0.00 C ATOM 1304 C GLY A 121 7.606 10.392 6.122 1.00 0.00 C ATOM 1305 O GLY A 121 8.186 11.320 5.559 1.00 0.00 O ATOM 0 H GLY A 121 5.895 8.858 8.021 1.00 0.00 H new ATOM 0 HA2 GLY A 121 5.624 10.803 6.818 1.00 0.00 H new ATOM 0 HA3 GLY A 121 6.887 11.594 7.740 1.00 0.00 H new ATOM 1309 N ARG A 122 7.797 9.117 5.801 1.00 0.00 N ATOM 1310 CA ARG A 122 8.723 8.726 4.744 1.00 0.00 C ATOM 1311 C ARG A 122 8.593 7.239 4.430 1.00 0.00 C ATOM 1312 O ARG A 122 8.209 6.443 5.288 1.00 0.00 O ATOM 1313 CB ARG A 122 10.161 9.048 5.152 1.00 0.00 C ATOM 1314 CG ARG A 122 10.694 8.155 6.260 1.00 0.00 C ATOM 1315 CD ARG A 122 12.215 8.131 6.273 1.00 0.00 C ATOM 1316 NE ARG A 122 12.753 7.109 5.380 1.00 0.00 N ATOM 1317 CZ ARG A 122 14.009 6.679 5.427 1.00 0.00 C ATOM 1318 NH1 ARG A 122 14.852 7.180 6.320 1.00 0.00 N ATOM 1319 NH2 ARG A 122 14.425 5.745 4.580 1.00 0.00 N ATOM 0 H ARG A 122 7.323 8.337 6.257 1.00 0.00 H new ATOM 0 HA ARG A 122 8.471 9.292 3.847 1.00 0.00 H new ATOM 0 HB2 ARG A 122 10.807 8.954 4.279 1.00 0.00 H new ATOM 0 HB3 ARG A 122 10.213 10.087 5.477 1.00 0.00 H new ATOM 0 HG2 ARG A 122 10.326 8.509 7.223 1.00 0.00 H new ATOM 0 HG3 ARG A 122 10.314 7.142 6.127 1.00 0.00 H new ATOM 0 HD2 ARG A 122 12.596 9.108 5.977 1.00 0.00 H new ATOM 0 HD3 ARG A 122 12.566 7.947 7.288 1.00 0.00 H new ATOM 0 HE ARG A 122 12.130 6.703 4.682 1.00 0.00 H new ATOM 0 HH11 ARG A 122 14.536 7.897 6.973 1.00 0.00 H new ATOM 0 HH12 ARG A 122 15.816 6.848 6.354 1.00 0.00 H new ATOM 0 HH21 ARG A 122 13.780 5.357 3.892 1.00 0.00 H new ATOM 0 HH22 ARG A 122 15.390 5.416 4.617 1.00 0.00 H new ATOM 1333 N LEU A 123 8.914 6.870 3.195 1.00 0.00 N ATOM 1334 CA LEU A 123 8.833 5.478 2.766 1.00 0.00 C ATOM 1335 C LEU A 123 9.918 4.639 3.433 1.00 0.00 C ATOM 1336 O LEU A 123 11.078 5.046 3.503 1.00 0.00 O ATOM 1337 CB LEU A 123 8.962 5.383 1.245 1.00 0.00 C ATOM 1338 CG LEU A 123 8.343 4.146 0.594 1.00 0.00 C ATOM 1339 CD1 LEU A 123 6.855 4.071 0.898 1.00 0.00 C ATOM 1340 CD2 LEU A 123 8.582 4.157 -0.908 1.00 0.00 C ATOM 0 H LEU A 123 9.233 7.516 2.473 1.00 0.00 H new ATOM 0 HA LEU A 123 7.861 5.087 3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.502 6.268 0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 123 10.021 5.413 0.988 1.00 0.00 H new ATOM 0 HG LEU A 123 8.824 3.261 1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 123 6.432 3.184 0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 123 6.706 4.015 1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 123 6.359 4.960 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.134 3.269 -1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.129 5.049 -1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 123 9.654 4.161 -1.106 1.00 0.00 H new ATOM 1352 N LEU A 124 9.534 3.464 3.921 1.00 0.00 N ATOM 1353 CA LEU A 124 10.475 2.566 4.581 1.00 0.00 C ATOM 1354 C LEU A 124 10.799 1.369 3.692 1.00 0.00 C ATOM 1355 O LEU A 124 10.320 1.274 2.563 1.00 0.00 O ATOM 1356 CB LEU A 124 9.901 2.085 5.915 1.00 0.00 C ATOM 1357 CG LEU A 124 9.557 3.175 6.930 1.00 0.00 C ATOM 1358 CD1 LEU A 124 8.528 2.669 7.929 1.00 0.00 C ATOM 1359 CD2 LEU A 124 10.811 3.651 7.648 1.00 0.00 C ATOM 0 H LEU A 124 8.578 3.111 3.872 1.00 0.00 H new ATOM 0 HA LEU A 124 11.397 3.117 4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 124 8.999 1.508 5.712 1.00 0.00 H new ATOM 0 HB3 LEU A 124 10.619 1.404 6.372 1.00 0.00 H new ATOM 0 HG LEU A 124 9.127 4.021 6.394 1.00 0.00 H new ATOM 0 HD11 LEU A 124 8.296 3.459 8.644 1.00 0.00 H new ATOM 0 HD12 LEU A 124 7.620 2.379 7.401 1.00 0.00 H new ATOM 0 HD13 LEU A 124 8.930 1.806 8.460 1.00 0.00 H new ATOM 0 HD21 LEU A 124 10.547 4.427 8.367 1.00 0.00 H new ATOM 0 HD22 LEU A 124 11.271 2.813 8.172 1.00 0.00 H new ATOM 0 HD23 LEU A 124 11.515 4.055 6.921 1.00 0.00 H new ATOM 1371 N SER A 125 11.614 0.456 4.212 1.00 0.00 N ATOM 1372 CA SER A 125 12.004 -0.734 3.465 1.00 0.00 C ATOM 1373 C SER A 125 10.811 -1.663 3.263 1.00 0.00 C ATOM 1374 O SER A 125 9.867 -1.661 4.054 1.00 0.00 O ATOM 1375 CB SER A 125 13.124 -1.476 4.196 1.00 0.00 C ATOM 1376 OG SER A 125 14.193 -0.601 4.513 1.00 0.00 O ATOM 0 H SER A 125 12.017 0.518 5.147 1.00 0.00 H new ATOM 0 HA SER A 125 12.366 -0.417 2.487 1.00 0.00 H new ATOM 0 HB2 SER A 125 12.732 -1.923 5.110 1.00 0.00 H new ATOM 0 HB3 SER A 125 13.490 -2.292 3.574 1.00 0.00 H new ATOM 0 HG SER A 125 14.895 -1.099 4.981 1.00 0.00 H new ATOM 1382 N TYR A 126 10.860 -2.456 2.198 1.00 0.00 N ATOM 1383 CA TYR A 126 9.783 -3.389 1.889 1.00 0.00 C ATOM 1384 C TYR A 126 10.291 -4.827 1.892 1.00 0.00 C ATOM 1385 O TYR A 126 9.587 -5.745 2.314 1.00 0.00 O ATOM 1386 CB TYR A 126 9.166 -3.056 0.530 1.00 0.00 C ATOM 1387 CG TYR A 126 9.955 -3.597 -0.642 1.00 0.00 C ATOM 1388 CD1 TYR A 126 9.876 -4.938 -0.998 1.00 0.00 C ATOM 1389 CD2 TYR A 126 10.781 -2.768 -1.391 1.00 0.00 C ATOM 1390 CE1 TYR A 126 10.595 -5.436 -2.067 1.00 0.00 C ATOM 1391 CE2 TYR A 126 11.502 -3.257 -2.462 1.00 0.00 C ATOM 1392 CZ TYR A 126 11.407 -4.592 -2.796 1.00 0.00 C ATOM 1393 OH TYR A 126 12.125 -5.084 -3.862 1.00 0.00 O ATOM 0 H TYR A 126 11.634 -2.471 1.534 1.00 0.00 H new ATOM 0 HA TYR A 126 9.019 -3.292 2.660 1.00 0.00 H new ATOM 0 HB2 TYR A 126 8.153 -3.457 0.492 1.00 0.00 H new ATOM 0 HB3 TYR A 126 9.084 -1.973 0.433 1.00 0.00 H new ATOM 0 HD1 TYR A 126 9.242 -5.602 -0.429 1.00 0.00 H new ATOM 0 HD2 TYR A 126 10.860 -1.723 -1.131 1.00 0.00 H new ATOM 0 HE1 TYR A 126 10.522 -6.481 -2.331 1.00 0.00 H new ATOM 0 HE2 TYR A 126 12.137 -2.598 -3.035 1.00 0.00 H new ATOM 0 HH TYR A 126 12.645 -4.360 -4.268 1.00 0.00 H new ATOM 1403 N ILE A 127 11.518 -5.015 1.418 1.00 0.00 N ATOM 1404 CA ILE A 127 12.122 -6.341 1.367 1.00 0.00 C ATOM 1405 C ILE A 127 11.716 -7.177 2.576 1.00 0.00 C ATOM 1406 O ILE A 127 11.181 -8.278 2.449 1.00 0.00 O ATOM 1407 CB ILE A 127 13.659 -6.258 1.306 1.00 0.00 C ATOM 1408 CG1 ILE A 127 14.124 -6.055 -0.137 1.00 0.00 C ATOM 1409 CG2 ILE A 127 14.281 -7.514 1.897 1.00 0.00 C ATOM 1410 CD1 ILE A 127 14.313 -4.602 -0.512 1.00 0.00 C ATOM 0 H ILE A 127 12.113 -4.266 1.064 1.00 0.00 H new ATOM 0 HA ILE A 127 11.756 -6.820 0.458 1.00 0.00 H new ATOM 0 HB ILE A 127 13.985 -5.402 1.897 1.00 0.00 H new ATOM 0 HG12 ILE A 127 15.065 -6.585 -0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 127 13.395 -6.504 -0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 127 15.367 -7.440 1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.972 -7.618 2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 127 13.950 -8.385 1.331 1.00 0.00 H new ATOM 0 HD11 ILE A 127 14.643 -4.534 -1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 127 13.368 -4.071 -0.396 1.00 0.00 H new ATOM 0 HD13 ILE A 127 15.064 -4.153 0.138 1.00 0.00 H new ATOM 1422 N PRO A 128 11.975 -6.642 3.779 1.00 0.00 N ATOM 1423 CA PRO A 128 11.643 -7.321 5.035 1.00 0.00 C ATOM 1424 C PRO A 128 10.139 -7.386 5.278 1.00 0.00 C ATOM 1425 O PRO A 128 9.656 -8.250 6.011 1.00 0.00 O ATOM 1426 CB PRO A 128 12.319 -6.451 6.097 1.00 0.00 C ATOM 1427 CG PRO A 128 12.414 -5.100 5.477 1.00 0.00 C ATOM 1428 CD PRO A 128 12.611 -5.333 4.004 1.00 0.00 C ATOM 0 HA PRO A 128 11.977 -8.359 5.039 1.00 0.00 H new ATOM 0 HB2 PRO A 128 11.735 -6.424 7.017 1.00 0.00 H new ATOM 0 HB3 PRO A 128 13.305 -6.838 6.356 1.00 0.00 H new ATOM 0 HG2 PRO A 128 11.509 -4.521 5.663 1.00 0.00 H new ATOM 0 HG3 PRO A 128 13.246 -4.535 5.897 1.00 0.00 H new ATOM 0 HD2 PRO A 128 12.143 -4.550 3.407 1.00 0.00 H new ATOM 0 HD3 PRO A 128 13.668 -5.348 3.737 1.00 0.00 H new ATOM 1436 N TYR A 129 9.404 -6.469 4.659 1.00 0.00 N ATOM 1437 CA TYR A 129 7.954 -6.422 4.811 1.00 0.00 C ATOM 1438 C TYR A 129 7.278 -7.440 3.897 1.00 0.00 C ATOM 1439 O TYR A 129 6.081 -7.699 4.019 1.00 0.00 O ATOM 1440 CB TYR A 129 7.434 -5.017 4.501 1.00 0.00 C ATOM 1441 CG TYR A 129 7.664 -4.026 5.620 1.00 0.00 C ATOM 1442 CD1 TYR A 129 8.889 -3.389 5.769 1.00 0.00 C ATOM 1443 CD2 TYR A 129 6.656 -3.728 6.529 1.00 0.00 C ATOM 1444 CE1 TYR A 129 9.104 -2.483 6.789 1.00 0.00 C ATOM 1445 CE2 TYR A 129 6.862 -2.823 7.552 1.00 0.00 C ATOM 1446 CZ TYR A 129 8.087 -2.203 7.678 1.00 0.00 C ATOM 1447 OH TYR A 129 8.296 -1.302 8.697 1.00 0.00 O ATOM 0 H TYR A 129 9.788 -5.748 4.048 1.00 0.00 H new ATOM 0 HA TYR A 129 7.713 -6.672 5.844 1.00 0.00 H new ATOM 0 HB2 TYR A 129 7.919 -4.650 3.597 1.00 0.00 H new ATOM 0 HB3 TYR A 129 6.366 -5.072 4.290 1.00 0.00 H new ATOM 0 HD1 TYR A 129 9.688 -3.606 5.075 1.00 0.00 H new ATOM 0 HD2 TYR A 129 5.695 -4.212 6.434 1.00 0.00 H new ATOM 0 HE1 TYR A 129 10.063 -1.996 6.890 1.00 0.00 H new ATOM 0 HE2 TYR A 129 6.068 -2.602 8.250 1.00 0.00 H new ATOM 0 HH TYR A 129 7.479 -1.218 9.232 1.00 0.00 H new ATOM 1457 N GLN A 130 8.054 -8.013 2.984 1.00 0.00 N ATOM 1458 CA GLN A 130 7.531 -9.003 2.050 1.00 0.00 C ATOM 1459 C GLN A 130 7.269 -10.331 2.753 1.00 0.00 C ATOM 1460 O GLN A 130 8.200 -11.002 3.201 1.00 0.00 O ATOM 1461 CB GLN A 130 8.509 -9.210 0.892 1.00 0.00 C ATOM 1462 CG GLN A 130 8.255 -8.289 -0.291 1.00 0.00 C ATOM 1463 CD GLN A 130 9.304 -8.429 -1.376 1.00 0.00 C ATOM 1464 OE1 GLN A 130 8.981 -8.527 -2.559 1.00 0.00 O ATOM 1465 NE2 GLN A 130 10.571 -8.438 -0.977 1.00 0.00 N ATOM 0 H GLN A 130 9.047 -7.809 2.871 1.00 0.00 H new ATOM 0 HA GLN A 130 6.586 -8.629 1.656 1.00 0.00 H new ATOM 0 HB2 GLN A 130 9.525 -9.052 1.253 1.00 0.00 H new ATOM 0 HB3 GLN A 130 8.447 -10.245 0.556 1.00 0.00 H new ATOM 0 HG2 GLN A 130 7.273 -8.506 -0.711 1.00 0.00 H new ATOM 0 HG3 GLN A 130 8.233 -7.256 0.056 1.00 0.00 H new ATOM 0 HE21 GLN A 130 10.794 -8.354 0.015 1.00 0.00 H new ATOM 0 HE22 GLN A 130 11.321 -8.529 -1.662 1.00 0.00 H new ATOM 1474 N LEU A 131 5.998 -10.704 2.847 1.00 0.00 N ATOM 1475 CA LEU A 131 5.613 -11.953 3.497 1.00 0.00 C ATOM 1476 C LEU A 131 6.360 -13.136 2.888 1.00 0.00 C ATOM 1477 O LEU A 131 7.128 -13.815 3.571 1.00 0.00 O ATOM 1478 CB LEU A 131 4.104 -12.171 3.374 1.00 0.00 C ATOM 1479 CG LEU A 131 3.225 -11.292 4.265 1.00 0.00 C ATOM 1480 CD1 LEU A 131 1.798 -11.259 3.739 1.00 0.00 C ATOM 1481 CD2 LEU A 131 3.254 -11.792 5.702 1.00 0.00 C ATOM 0 H LEU A 131 5.216 -10.160 2.482 1.00 0.00 H new ATOM 0 HA LEU A 131 5.879 -11.882 4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 131 3.816 -12.004 2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 131 3.888 -13.215 3.601 1.00 0.00 H new ATOM 0 HG LEU A 131 3.621 -10.277 4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.187 -10.629 4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.793 -10.854 2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.391 -12.270 3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 131 2.623 -11.155 6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.882 -12.816 5.738 1.00 0.00 H new ATOM 0 HD23 LEU A 131 4.277 -11.764 6.076 1.00 0.00 H new ATOM 1493 N TYR A 132 6.133 -13.374 1.602 1.00 0.00 N ATOM 1494 CA TYR A 132 6.784 -14.475 0.902 1.00 0.00 C ATOM 1495 C TYR A 132 7.831 -13.954 -0.078 1.00 0.00 C ATOM 1496 O TYR A 132 7.522 -13.641 -1.228 1.00 0.00 O ATOM 1497 CB TYR A 132 5.747 -15.318 0.157 1.00 0.00 C ATOM 1498 CG TYR A 132 4.497 -15.590 0.962 1.00 0.00 C ATOM 1499 CD1 TYR A 132 4.403 -16.711 1.778 1.00 0.00 C ATOM 1500 CD2 TYR A 132 3.408 -14.729 0.906 1.00 0.00 C ATOM 1501 CE1 TYR A 132 3.263 -16.965 2.515 1.00 0.00 C ATOM 1502 CE2 TYR A 132 2.265 -14.974 1.641 1.00 0.00 C ATOM 1503 CZ TYR A 132 2.196 -16.093 2.444 1.00 0.00 C ATOM 1504 OH TYR A 132 1.058 -16.342 3.176 1.00 0.00 O ATOM 0 H TYR A 132 5.503 -12.819 1.022 1.00 0.00 H new ATOM 0 HA TYR A 132 7.284 -15.098 1.643 1.00 0.00 H new ATOM 0 HB2 TYR A 132 5.471 -14.807 -0.766 1.00 0.00 H new ATOM 0 HB3 TYR A 132 6.200 -16.268 -0.128 1.00 0.00 H new ATOM 0 HD1 TYR A 132 5.236 -17.396 1.837 1.00 0.00 H new ATOM 0 HD2 TYR A 132 3.456 -13.853 0.277 1.00 0.00 H new ATOM 0 HE1 TYR A 132 3.207 -17.841 3.144 1.00 0.00 H new ATOM 0 HE2 TYR A 132 1.429 -14.292 1.587 1.00 0.00 H new ATOM 0 HH TYR A 132 0.460 -16.926 2.663 1.00 0.00 H new