USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 460 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 73 ASN : amide:sc= 0.0675 X(o=0.22,f=0.025) USER MOD Set 1.2: A 75 SER OG : rot 106:sc= 0.0897 USER MOD Set 1.3: A 76 THR OG1 : rot 180:sc= 0.0628 USER MOD Single : A 64 ASN : amide:sc= -0.118 K(o=-0.12,f=-2!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -1.07 X(o=-1.1,f=-1.1) USER MOD Single : A 82 LYS NZ :NH3+ -171:sc=-0.00113 (180deg=-0.114) USER MOD Single : A 83 LYS NZ :NH3+ -163:sc= -0.0481 (180deg=-0.333) USER MOD Single : A 91 LYS NZ :NH3+ -169:sc= -0.0028 (180deg=-0.133) USER MOD Single : A 96 MET CE :methyl -162:sc= 0 (180deg=-0.593) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.026 X(o=-0.026,f=-0.0026) USER MOD Single : A 109 ASN : amide:sc=-0.00292 X(o=-0.0029,f=-0.0029) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N ILE A 60 -5.196 -8.433 -0.840 1.00 0.00 N ATOM 28 CA ILE A 60 -6.590 -8.230 -1.058 1.00 0.00 C ATOM 29 C ILE A 60 -7.325 -7.752 0.153 1.00 0.00 C ATOM 30 O ILE A 60 -7.651 -6.572 0.221 1.00 0.00 O ATOM 31 CB ILE A 60 -7.379 -9.338 -1.754 1.00 0.00 C ATOM 32 CG1 ILE A 60 -6.644 -10.695 -1.787 1.00 0.00 C ATOM 33 CG2 ILE A 60 -7.749 -8.852 -3.170 1.00 0.00 C ATOM 34 CD1 ILE A 60 -6.434 -11.269 -0.390 1.00 0.00 C ATOM 0 HA ILE A 60 -6.546 -7.431 -1.798 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.281 -9.531 -1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.217 -11.402 -2.386 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.678 -10.571 -2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.314 -9.629 -3.685 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.356 -7.950 -3.098 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.839 -8.633 -3.729 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.913 -12.224 -0.463 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.838 -10.575 0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.401 -11.419 0.091 1.00 0.00 H new ATOM 46 N ALA A 61 -7.635 -8.635 1.122 1.00 0.00 N ATOM 47 CA ALA A 61 -8.460 -8.259 2.236 1.00 0.00 C ATOM 48 C ALA A 61 -7.607 -7.505 3.193 1.00 0.00 C ATOM 49 O ALA A 61 -8.060 -6.560 3.833 1.00 0.00 O ATOM 50 CB ALA A 61 -9.036 -9.469 2.987 1.00 0.00 C ATOM 0 H ALA A 61 -7.318 -9.604 1.137 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.295 -7.673 1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.650 -9.123 3.818 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.647 -10.062 2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.220 -10.082 3.370 1.00 0.00 H new ATOM 56 N ARG A 62 -6.330 -7.918 3.278 1.00 0.00 N ATOM 57 CA ARG A 62 -5.343 -7.303 4.111 1.00 0.00 C ATOM 58 C ARG A 62 -4.956 -5.974 3.538 1.00 0.00 C ATOM 59 O ARG A 62 -4.547 -5.073 4.269 1.00 0.00 O ATOM 60 CB ARG A 62 -4.067 -8.170 4.189 1.00 0.00 C ATOM 61 CG ARG A 62 -3.762 -8.944 2.893 1.00 0.00 C ATOM 62 CD ARG A 62 -2.386 -9.613 2.896 1.00 0.00 C ATOM 63 NE ARG A 62 -2.326 -10.599 4.006 1.00 0.00 N ATOM 64 CZ ARG A 62 -1.181 -11.307 4.237 1.00 0.00 C ATOM 65 NH1 ARG A 62 -0.088 -11.133 3.439 1.00 0.00 N ATOM 66 NH2 ARG A 62 -1.133 -12.194 5.274 1.00 0.00 N ATOM 0 H ARG A 62 -5.971 -8.711 2.746 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.772 -7.190 5.106 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.218 -7.530 4.427 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.171 -8.880 5.009 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.528 -9.705 2.744 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.824 -8.260 2.047 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.207 -10.110 1.942 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.604 -8.863 3.016 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.143 -10.748 4.598 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.123 -10.471 2.664 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.764 -11.665 3.617 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.949 -12.325 5.871 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.281 -12.726 5.451 1.00 0.00 H new ATOM 80 N ILE A 63 -5.073 -5.834 2.204 1.00 0.00 N ATOM 81 CA ILE A 63 -4.566 -4.696 1.502 1.00 0.00 C ATOM 82 C ILE A 63 -5.592 -3.621 1.393 1.00 0.00 C ATOM 83 O ILE A 63 -5.262 -2.464 1.145 1.00 0.00 O ATOM 84 CB ILE A 63 -4.032 -5.124 0.163 1.00 0.00 C ATOM 85 CG1 ILE A 63 -2.581 -4.646 0.037 1.00 0.00 C ATOM 86 CG2 ILE A 63 -4.901 -4.771 -1.054 1.00 0.00 C ATOM 87 CD1 ILE A 63 -2.060 -4.732 -1.393 1.00 0.00 C ATOM 0 H ILE A 63 -5.527 -6.523 1.604 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.741 -4.265 2.069 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.066 -6.213 0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.510 -3.615 0.385 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.946 -5.247 0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.417 -5.128 -1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.878 -5.244 -0.953 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.026 -3.690 -1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.028 -4.382 -1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.103 -5.766 -1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.676 -4.110 -2.043 1.00 0.00 H new ATOM 99 N ASN A 64 -6.869 -3.987 1.611 1.00 0.00 N ATOM 100 CA ASN A 64 -7.960 -3.063 1.565 1.00 0.00 C ATOM 101 C ASN A 64 -8.076 -2.511 2.933 1.00 0.00 C ATOM 102 O ASN A 64 -8.643 -1.445 3.162 1.00 0.00 O ATOM 103 CB ASN A 64 -9.285 -3.793 1.331 1.00 0.00 C ATOM 104 CG ASN A 64 -10.306 -2.878 0.653 1.00 0.00 C ATOM 105 OD1 ASN A 64 -10.014 -1.748 0.244 1.00 0.00 O ATOM 106 ND2 ASN A 64 -11.561 -3.412 0.533 1.00 0.00 N ATOM 0 H ASN A 64 -7.149 -4.945 1.824 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.783 -2.329 0.779 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.114 -4.674 0.712 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.683 -4.145 2.283 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.305 -2.872 0.090 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.752 -4.349 0.887 1.00 0.00 H new ATOM 113 N ALA A 65 -7.536 -3.292 3.877 1.00 0.00 N ATOM 114 CA ALA A 65 -7.755 -3.040 5.274 1.00 0.00 C ATOM 115 C ALA A 65 -6.767 -2.042 5.775 1.00 0.00 C ATOM 116 O ALA A 65 -6.976 -1.430 6.821 1.00 0.00 O ATOM 117 CB ALA A 65 -7.597 -4.290 6.152 1.00 0.00 C ATOM 0 H ALA A 65 -6.946 -4.101 3.680 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.782 -2.682 5.347 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.776 -4.027 7.195 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.316 -5.047 5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.586 -4.684 6.046 1.00 0.00 H new ATOM 123 N ALA A 66 -5.659 -1.859 5.040 1.00 0.00 N ATOM 124 CA ALA A 66 -4.616 -0.986 5.482 1.00 0.00 C ATOM 125 C ALA A 66 -4.862 0.383 4.936 1.00 0.00 C ATOM 126 O ALA A 66 -4.487 1.384 5.545 1.00 0.00 O ATOM 127 CB ALA A 66 -3.248 -1.446 4.968 1.00 0.00 C ATOM 0 H ALA A 66 -5.484 -2.312 4.143 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.615 -0.992 6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.477 -0.761 5.322 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.039 -2.450 5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.253 -1.455 3.878 1.00 0.00 H new ATOM 133 N VAL A 67 -5.488 0.442 3.745 1.00 0.00 N ATOM 134 CA VAL A 67 -5.525 1.638 2.954 1.00 0.00 C ATOM 135 C VAL A 67 -6.744 2.444 3.265 1.00 0.00 C ATOM 136 O VAL A 67 -6.833 3.608 2.878 1.00 0.00 O ATOM 137 CB VAL A 67 -5.517 1.333 1.474 1.00 0.00 C ATOM 138 CG1 VAL A 67 -4.193 0.638 1.124 1.00 0.00 C ATOM 139 CG2 VAL A 67 -6.736 0.482 1.082 1.00 0.00 C ATOM 0 H VAL A 67 -5.975 -0.349 3.324 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.628 2.205 3.205 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.591 2.258 0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.172 0.411 0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.360 1.296 1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.106 -0.287 1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.707 0.276 0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.716 -0.458 1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.651 1.024 1.323 1.00 0.00 H new ATOM 149 N ARG A 68 -7.717 1.838 3.974 1.00 0.00 N ATOM 150 CA ARG A 68 -9.026 2.405 4.155 1.00 0.00 C ATOM 151 C ARG A 68 -9.012 3.542 5.130 1.00 0.00 C ATOM 152 O ARG A 68 -9.987 4.287 5.225 1.00 0.00 O ATOM 153 CB ARG A 68 -10.035 1.349 4.646 1.00 0.00 C ATOM 154 CG ARG A 68 -9.639 0.684 5.970 1.00 0.00 C ATOM 155 CD ARG A 68 -10.545 -0.492 6.325 1.00 0.00 C ATOM 156 NE ARG A 68 -10.014 -1.088 7.582 1.00 0.00 N ATOM 157 CZ ARG A 68 -10.435 -2.314 8.013 1.00 0.00 C ATOM 158 NH1 ARG A 68 -11.420 -2.979 7.346 1.00 0.00 N ATOM 159 NH2 ARG A 68 -9.860 -2.875 9.117 1.00 0.00 N ATOM 0 H ARG A 68 -7.594 0.935 4.432 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.333 2.776 3.177 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.011 1.820 4.764 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.143 0.580 3.881 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.608 0.338 5.905 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.677 1.423 6.770 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.574 -0.159 6.461 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.552 -1.229 5.522 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.325 -0.573 8.130 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.848 -2.562 6.519 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.729 -3.894 7.673 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.121 -2.379 9.615 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.170 -3.790 9.444 1.00 0.00 H new ATOM 173 N ALA A 69 -7.895 3.712 5.865 1.00 0.00 N ATOM 174 CA ALA A 69 -7.746 4.774 6.814 1.00 0.00 C ATOM 175 C ALA A 69 -7.593 6.073 6.090 1.00 0.00 C ATOM 176 O ALA A 69 -8.125 7.094 6.521 1.00 0.00 O ATOM 177 CB ALA A 69 -6.486 4.598 7.675 1.00 0.00 C ATOM 0 H ALA A 69 -7.081 3.101 5.798 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.632 4.760 7.449 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.410 5.424 8.382 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.548 3.657 8.222 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.605 4.587 7.033 1.00 0.00 H new ATOM 183 N TYR A 70 -6.837 6.056 4.975 1.00 0.00 N ATOM 184 CA TYR A 70 -6.428 7.258 4.311 1.00 0.00 C ATOM 185 C TYR A 70 -7.558 7.822 3.513 1.00 0.00 C ATOM 186 O TYR A 70 -7.769 9.034 3.513 1.00 0.00 O ATOM 187 CB TYR A 70 -5.253 7.012 3.351 1.00 0.00 C ATOM 188 CG TYR A 70 -4.201 6.266 4.103 1.00 0.00 C ATOM 189 CD1 TYR A 70 -3.588 6.818 5.213 1.00 0.00 C ATOM 190 CD2 TYR A 70 -3.851 4.989 3.707 1.00 0.00 C ATOM 191 CE1 TYR A 70 -2.677 6.083 5.946 1.00 0.00 C ATOM 192 CE2 TYR A 70 -2.939 4.253 4.437 1.00 0.00 C ATOM 193 CZ TYR A 70 -2.363 4.795 5.566 1.00 0.00 C ATOM 194 OH TYR A 70 -1.435 4.042 6.316 1.00 0.00 O ATOM 0 H TYR A 70 -6.506 5.200 4.530 1.00 0.00 H new ATOM 0 HA TYR A 70 -6.117 7.954 5.090 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.581 6.440 2.483 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.859 7.958 2.979 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.823 7.830 5.508 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -4.295 4.563 2.819 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.210 6.517 6.818 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.677 3.253 4.124 1.00 0.00 H new ATOM 0 HH TYR A 70 -1.330 3.156 5.911 1.00 0.00 H new ATOM 204 N GLY A 71 -8.309 6.948 2.814 1.00 0.00 N ATOM 205 CA GLY A 71 -9.351 7.386 1.927 1.00 0.00 C ATOM 206 C GLY A 71 -9.158 6.613 0.670 1.00 0.00 C ATOM 207 O GLY A 71 -10.008 6.615 -0.219 1.00 0.00 O ATOM 0 H GLY A 71 -8.196 5.935 2.862 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.335 7.198 2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.283 8.458 1.742 1.00 0.00 H new ATOM 211 N LEU A 72 -8.009 5.918 0.596 1.00 0.00 N ATOM 212 CA LEU A 72 -7.692 5.041 -0.487 1.00 0.00 C ATOM 213 C LEU A 72 -8.535 3.842 -0.313 1.00 0.00 C ATOM 214 O LEU A 72 -8.830 3.416 0.801 1.00 0.00 O ATOM 215 CB LEU A 72 -6.224 4.604 -0.449 1.00 0.00 C ATOM 216 CG LEU A 72 -5.232 5.759 -0.673 1.00 0.00 C ATOM 217 CD1 LEU A 72 -3.791 5.305 -0.394 1.00 0.00 C ATOM 218 CD2 LEU A 72 -5.372 6.332 -2.088 1.00 0.00 C ATOM 0 H LEU A 72 -7.281 5.967 1.309 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.866 5.550 -1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.017 4.140 0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.060 3.842 -1.211 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.471 6.555 0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.108 6.139 -0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.709 4.968 0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.532 4.485 -1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.661 7.147 -2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.170 5.549 -2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.385 6.708 -2.230 1.00 0.00 H new ATOM 230 N ASN A 73 -8.988 3.323 -1.462 1.00 0.00 N ATOM 231 CA ASN A 73 -9.961 2.286 -1.506 1.00 0.00 C ATOM 232 C ASN A 73 -9.346 1.128 -2.203 1.00 0.00 C ATOM 233 O ASN A 73 -10.063 0.283 -2.739 1.00 0.00 O ATOM 234 CB ASN A 73 -11.290 2.697 -2.186 1.00 0.00 C ATOM 235 CG ASN A 73 -11.126 3.005 -3.681 1.00 0.00 C ATOM 236 OD1 ASN A 73 -11.588 2.230 -4.526 1.00 0.00 O ATOM 237 ND2 ASN A 73 -10.495 4.174 -4.000 1.00 0.00 N ATOM 0 H ASN A 73 -8.671 3.631 -2.381 1.00 0.00 H new ATOM 0 HA ASN A 73 -10.241 2.036 -0.483 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -12.018 1.895 -2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -11.694 3.575 -1.682 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.386 4.445 -4.977 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.133 4.776 -3.261 1.00 0.00 H new ATOM 244 N TYR A 74 -7.989 1.094 -2.193 1.00 0.00 N ATOM 245 CA TYR A 74 -7.151 0.079 -2.785 1.00 0.00 C ATOM 246 C TYR A 74 -6.962 0.354 -4.248 1.00 0.00 C ATOM 247 O TYR A 74 -5.927 0.004 -4.803 1.00 0.00 O ATOM 248 CB TYR A 74 -7.554 -1.394 -2.470 1.00 0.00 C ATOM 249 CG TYR A 74 -7.020 -2.386 -3.452 1.00 0.00 C ATOM 250 CD1 TYR A 74 -5.679 -2.723 -3.496 1.00 0.00 C ATOM 251 CD2 TYR A 74 -7.900 -3.029 -4.303 1.00 0.00 C ATOM 252 CE1 TYR A 74 -5.228 -3.699 -4.363 1.00 0.00 C ATOM 253 CE2 TYR A 74 -7.449 -3.988 -5.186 1.00 0.00 C ATOM 254 CZ TYR A 74 -6.115 -4.329 -5.211 1.00 0.00 C ATOM 255 OH TYR A 74 -5.668 -5.327 -6.101 1.00 0.00 O ATOM 0 H TYR A 74 -7.442 1.826 -1.740 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.182 0.158 -2.292 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.197 -1.654 -1.474 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.641 -1.467 -2.448 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.979 -2.219 -2.847 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.950 -2.778 -4.276 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -4.182 -3.969 -4.377 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.142 -4.472 -5.858 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.426 -5.664 -6.622 1.00 0.00 H new ATOM 265 N SER A 75 -7.939 1.003 -4.909 1.00 0.00 N ATOM 266 CA SER A 75 -7.901 1.177 -6.332 1.00 0.00 C ATOM 267 C SER A 75 -6.984 2.293 -6.679 1.00 0.00 C ATOM 268 O SER A 75 -6.234 2.212 -7.648 1.00 0.00 O ATOM 269 CB SER A 75 -9.278 1.492 -6.931 1.00 0.00 C ATOM 270 OG SER A 75 -10.177 0.428 -6.654 1.00 0.00 O ATOM 0 H SER A 75 -8.759 1.409 -4.457 1.00 0.00 H new ATOM 0 HA SER A 75 -7.554 0.232 -6.749 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.662 2.423 -6.514 1.00 0.00 H new ATOM 0 HB3 SER A 75 -9.192 1.637 -8.008 1.00 0.00 H new ATOM 0 HG SER A 75 -10.808 0.706 -5.957 1.00 0.00 H new ATOM 276 N THR A 76 -7.039 3.375 -5.887 1.00 0.00 N ATOM 277 CA THR A 76 -6.269 4.541 -6.178 1.00 0.00 C ATOM 278 C THR A 76 -4.901 4.365 -5.598 1.00 0.00 C ATOM 279 O THR A 76 -3.928 4.958 -6.069 1.00 0.00 O ATOM 280 CB THR A 76 -6.895 5.777 -5.609 1.00 0.00 C ATOM 281 OG1 THR A 76 -7.456 5.482 -4.340 1.00 0.00 O ATOM 282 CG2 THR A 76 -8.011 6.237 -6.562 1.00 0.00 C ATOM 0 H THR A 76 -7.614 3.443 -5.048 1.00 0.00 H new ATOM 0 HA THR A 76 -6.221 4.663 -7.260 1.00 0.00 H new ATOM 0 HB THR A 76 -6.145 6.560 -5.497 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.864 6.291 -3.967 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.480 7.137 -6.165 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.587 6.451 -7.543 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.758 5.449 -6.654 1.00 0.00 H new ATOM 290 N PHE A 77 -4.805 3.493 -4.577 1.00 0.00 N ATOM 291 CA PHE A 77 -3.557 3.134 -3.976 1.00 0.00 C ATOM 292 C PHE A 77 -2.743 2.476 -5.025 1.00 0.00 C ATOM 293 O PHE A 77 -1.562 2.778 -5.187 1.00 0.00 O ATOM 294 CB PHE A 77 -3.768 2.080 -2.879 1.00 0.00 C ATOM 295 CG PHE A 77 -2.513 1.730 -2.138 1.00 0.00 C ATOM 296 CD1 PHE A 77 -1.564 2.659 -1.739 1.00 0.00 C ATOM 297 CD2 PHE A 77 -2.344 0.409 -1.772 1.00 0.00 C ATOM 298 CE1 PHE A 77 -0.486 2.274 -0.966 1.00 0.00 C ATOM 299 CE2 PHE A 77 -1.286 0.029 -0.977 1.00 0.00 C ATOM 300 CZ PHE A 77 -0.350 0.959 -0.574 1.00 0.00 C ATOM 0 H PHE A 77 -5.611 3.028 -4.160 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.090 4.025 -3.557 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.509 2.449 -2.169 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.179 1.176 -3.329 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.669 3.692 -2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.050 -0.334 -2.113 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.252 3.004 -0.668 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.188 -1.001 -0.668 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.483 0.659 0.044 1.00 0.00 H new ATOM 310 N ILE A 78 -3.417 1.569 -5.761 1.00 0.00 N ATOM 311 CA ILE A 78 -2.830 0.722 -6.756 1.00 0.00 C ATOM 312 C ILE A 78 -2.167 1.555 -7.809 1.00 0.00 C ATOM 313 O ILE A 78 -1.067 1.230 -8.255 1.00 0.00 O ATOM 314 CB ILE A 78 -3.872 -0.203 -7.353 1.00 0.00 C ATOM 315 CG1 ILE A 78 -3.563 -1.661 -6.981 1.00 0.00 C ATOM 316 CG2 ILE A 78 -4.125 -0.059 -8.872 1.00 0.00 C ATOM 317 CD1 ILE A 78 -2.317 -2.271 -7.632 1.00 0.00 C ATOM 0 H ILE A 78 -4.421 1.420 -5.656 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.069 0.097 -6.288 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.813 0.116 -6.904 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.450 -1.723 -5.899 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.424 -2.273 -7.247 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.889 -0.771 -9.183 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.463 0.954 -9.090 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.201 -0.258 -9.415 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.199 -3.301 -7.297 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.427 -2.253 -8.716 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.438 -1.693 -7.347 1.00 0.00 H new ATOM 329 N ASN A 79 -2.837 2.657 -8.215 1.00 0.00 N ATOM 330 CA ASN A 79 -2.351 3.476 -9.297 1.00 0.00 C ATOM 331 C ASN A 79 -1.107 4.169 -8.907 1.00 0.00 C ATOM 332 O ASN A 79 -0.146 4.252 -9.666 1.00 0.00 O ATOM 333 CB ASN A 79 -3.338 4.540 -9.852 1.00 0.00 C ATOM 334 CG ASN A 79 -3.539 5.905 -9.157 1.00 0.00 C ATOM 335 OD1 ASN A 79 -2.648 6.760 -9.092 1.00 0.00 O ATOM 336 ND2 ASN A 79 -4.816 6.149 -8.737 1.00 0.00 N ATOM 0 H ASN A 79 -3.710 2.981 -7.798 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.192 2.759 -10.102 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.032 4.750 -10.877 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.318 4.065 -9.903 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.061 7.062 -8.354 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.524 5.418 -8.807 1.00 0.00 H new ATOM 343 N GLY A 80 -1.158 4.696 -7.687 1.00 0.00 N ATOM 344 CA GLY A 80 -0.120 5.509 -7.123 1.00 0.00 C ATOM 345 C GLY A 80 1.124 4.720 -6.846 1.00 0.00 C ATOM 346 O GLY A 80 2.200 5.306 -6.749 1.00 0.00 O ATOM 0 H GLY A 80 -1.949 4.557 -7.058 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.113 6.325 -7.807 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.476 5.961 -6.197 1.00 0.00 H new ATOM 350 N LEU A 81 1.014 3.384 -6.686 1.00 0.00 N ATOM 351 CA LEU A 81 2.195 2.555 -6.591 1.00 0.00 C ATOM 352 C LEU A 81 2.993 2.592 -7.852 1.00 0.00 C ATOM 353 O LEU A 81 4.217 2.613 -7.808 1.00 0.00 O ATOM 354 CB LEU A 81 1.969 1.051 -6.391 1.00 0.00 C ATOM 355 CG LEU A 81 1.084 0.665 -5.200 1.00 0.00 C ATOM 356 CD1 LEU A 81 0.970 -0.862 -5.130 1.00 0.00 C ATOM 357 CD2 LEU A 81 1.608 1.219 -3.864 1.00 0.00 C ATOM 0 H LEU A 81 0.129 2.881 -6.623 1.00 0.00 H new ATOM 0 HA LEU A 81 2.678 2.985 -5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.522 0.645 -7.299 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.939 0.569 -6.271 1.00 0.00 H new ATOM 0 HG LEU A 81 0.103 1.112 -5.360 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.342 -1.142 -4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.525 -1.236 -6.052 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.962 -1.296 -5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.942 0.914 -3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.608 0.829 -3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.646 2.307 -3.911 1.00 0.00 H new ATOM 369 N LYS A 82 2.305 2.554 -9.010 1.00 0.00 N ATOM 370 CA LYS A 82 2.936 2.469 -10.296 1.00 0.00 C ATOM 371 C LYS A 82 3.493 3.818 -10.626 1.00 0.00 C ATOM 372 O LYS A 82 4.507 3.935 -11.314 1.00 0.00 O ATOM 373 CB LYS A 82 1.916 2.062 -11.380 1.00 0.00 C ATOM 374 CG LYS A 82 2.505 1.862 -12.784 1.00 0.00 C ATOM 375 CD LYS A 82 1.450 1.366 -13.783 1.00 0.00 C ATOM 376 CE LYS A 82 1.984 1.206 -15.210 1.00 0.00 C ATOM 377 NZ LYS A 82 2.376 2.518 -15.771 1.00 0.00 N ATOM 0 H LYS A 82 1.286 2.583 -9.055 1.00 0.00 H new ATOM 0 HA LYS A 82 3.723 1.716 -10.267 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.430 1.136 -11.071 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.141 2.826 -11.433 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.926 2.803 -13.138 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.324 1.145 -12.735 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.060 0.408 -13.441 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.614 2.065 -13.793 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.842 0.534 -15.209 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.221 0.749 -15.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.590 2.413 -16.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.595 3.194 -15.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.219 2.870 -15.274 1.00 0.00 H new ATOM 391 N LYS A 83 2.835 4.871 -10.101 1.00 0.00 N ATOM 392 CA LYS A 83 3.218 6.236 -10.300 1.00 0.00 C ATOM 393 C LYS A 83 4.504 6.477 -9.567 1.00 0.00 C ATOM 394 O LYS A 83 5.374 7.205 -10.045 1.00 0.00 O ATOM 395 CB LYS A 83 2.140 7.189 -9.744 1.00 0.00 C ATOM 396 CG LYS A 83 2.340 8.676 -10.068 1.00 0.00 C ATOM 397 CD LYS A 83 2.219 9.012 -11.562 1.00 0.00 C ATOM 398 CE LYS A 83 2.240 10.518 -11.842 1.00 0.00 C ATOM 399 NZ LYS A 83 1.080 11.186 -11.210 1.00 0.00 N ATOM 0 H LYS A 83 2.006 4.767 -9.516 1.00 0.00 H new ATOM 0 HA LYS A 83 3.336 6.425 -11.367 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.170 6.878 -10.132 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.102 7.073 -8.661 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.605 9.260 -9.514 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.324 8.985 -9.715 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.037 8.536 -12.103 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.292 8.589 -11.950 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.166 10.950 -11.462 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.224 10.693 -12.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.947 12.126 -11.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.225 10.613 -11.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.252 11.289 -10.190 1.00 0.00 H new ATOM 413 N ALA A 84 4.647 5.837 -8.388 1.00 0.00 N ATOM 414 CA ALA A 84 5.816 5.936 -7.566 1.00 0.00 C ATOM 415 C ALA A 84 6.938 5.216 -8.243 1.00 0.00 C ATOM 416 O ALA A 84 8.063 5.712 -8.284 1.00 0.00 O ATOM 417 CB ALA A 84 5.603 5.295 -6.185 1.00 0.00 C ATOM 0 H ALA A 84 3.926 5.232 -7.996 1.00 0.00 H new ATOM 0 HA ALA A 84 6.039 6.994 -7.426 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.514 5.392 -5.594 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.783 5.798 -5.673 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.361 4.239 -6.307 1.00 0.00 H new ATOM 423 N GLY A 85 6.636 4.026 -8.798 1.00 0.00 N ATOM 424 CA GLY A 85 7.603 3.223 -9.486 1.00 0.00 C ATOM 425 C GLY A 85 8.079 2.218 -8.504 1.00 0.00 C ATOM 426 O GLY A 85 9.221 1.764 -8.560 1.00 0.00 O ATOM 0 H GLY A 85 5.703 3.614 -8.768 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.159 2.738 -10.355 1.00 0.00 H new ATOM 0 HA3 GLY A 85 8.429 3.834 -9.849 1.00 0.00 H new ATOM 430 N ILE A 86 7.181 1.863 -7.569 1.00 0.00 N ATOM 431 CA ILE A 86 7.428 0.912 -6.544 1.00 0.00 C ATOM 432 C ILE A 86 6.301 -0.021 -6.822 1.00 0.00 C ATOM 433 O ILE A 86 5.245 0.075 -6.202 1.00 0.00 O ATOM 434 CB ILE A 86 7.319 1.534 -5.158 1.00 0.00 C ATOM 435 CG1 ILE A 86 8.372 2.657 -5.000 1.00 0.00 C ATOM 436 CG2 ILE A 86 7.472 0.444 -4.080 1.00 0.00 C ATOM 437 CD1 ILE A 86 8.297 3.372 -3.650 1.00 0.00 C ATOM 0 H ILE A 86 6.242 2.260 -7.530 1.00 0.00 H new ATOM 0 HA ILE A 86 8.422 0.464 -6.545 1.00 0.00 H new ATOM 0 HB ILE A 86 6.335 1.985 -5.033 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.368 2.231 -5.123 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.237 3.387 -5.798 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.393 0.896 -3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.686 -0.301 -4.202 1.00 0.00 H new ATOM 0 HG23 ILE A 86 8.446 -0.035 -4.183 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.062 4.147 -3.606 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.313 3.826 -3.533 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.462 2.653 -2.848 1.00 0.00 H new ATOM 449 N GLU A 87 6.489 -0.916 -7.818 1.00 0.00 N ATOM 450 CA GLU A 87 5.449 -1.808 -8.253 1.00 0.00 C ATOM 451 C GLU A 87 5.549 -3.012 -7.374 1.00 0.00 C ATOM 452 O GLU A 87 6.163 -4.021 -7.715 1.00 0.00 O ATOM 453 CB GLU A 87 5.569 -2.205 -9.739 1.00 0.00 C ATOM 454 CG GLU A 87 4.380 -3.029 -10.251 1.00 0.00 C ATOM 455 CD GLU A 87 4.577 -3.275 -11.740 1.00 0.00 C ATOM 456 OE1 GLU A 87 4.603 -2.277 -12.510 1.00 0.00 O ATOM 457 OE2 GLU A 87 4.703 -4.467 -12.128 1.00 0.00 O ATOM 0 H GLU A 87 7.368 -1.021 -8.325 1.00 0.00 H new ATOM 0 HA GLU A 87 4.481 -1.314 -8.172 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.661 -1.302 -10.342 1.00 0.00 H new ATOM 0 HB3 GLU A 87 6.486 -2.778 -9.881 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.315 -3.976 -9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.445 -2.497 -10.074 1.00 0.00 H new ATOM 464 N LEU A 88 4.982 -2.857 -6.168 1.00 0.00 N ATOM 465 CA LEU A 88 5.235 -3.720 -5.068 1.00 0.00 C ATOM 466 C LEU A 88 3.886 -4.140 -4.589 1.00 0.00 C ATOM 467 O LEU A 88 3.162 -3.346 -3.994 1.00 0.00 O ATOM 468 CB LEU A 88 6.003 -2.910 -4.006 1.00 0.00 C ATOM 469 CG LEU A 88 6.676 -3.718 -2.884 1.00 0.00 C ATOM 470 CD1 LEU A 88 7.837 -4.588 -3.400 1.00 0.00 C ATOM 471 CD2 LEU A 88 7.155 -2.787 -1.758 1.00 0.00 C ATOM 0 H LEU A 88 4.326 -2.105 -5.954 1.00 0.00 H new ATOM 0 HA LEU A 88 5.836 -4.596 -5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.770 -2.324 -4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.311 -2.203 -3.549 1.00 0.00 H new ATOM 0 HG LEU A 88 5.923 -4.397 -2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.277 -5.138 -2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.462 -5.293 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.595 -3.951 -3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.628 -3.378 -0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.874 -2.072 -2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.302 -2.250 -1.343 1.00 0.00 H new ATOM 483 N ASP A 89 3.488 -5.389 -4.892 1.00 0.00 N ATOM 484 CA ASP A 89 2.158 -5.842 -4.592 1.00 0.00 C ATOM 485 C ASP A 89 2.107 -7.284 -4.926 1.00 0.00 C ATOM 486 O ASP A 89 2.984 -7.808 -5.611 1.00 0.00 O ATOM 487 CB ASP A 89 1.043 -5.166 -5.430 1.00 0.00 C ATOM 488 CG ASP A 89 1.543 -4.808 -6.828 1.00 0.00 C ATOM 489 OD1 ASP A 89 1.793 -5.742 -7.636 1.00 0.00 O ATOM 490 OD2 ASP A 89 1.666 -3.586 -7.111 1.00 0.00 O ATOM 0 H ASP A 89 4.082 -6.085 -5.343 1.00 0.00 H new ATOM 0 HA ASP A 89 1.973 -5.603 -3.545 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.186 -5.835 -5.508 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.698 -4.265 -4.922 1.00 0.00 H new ATOM 495 N ARG A 90 1.039 -7.915 -4.408 1.00 0.00 N ATOM 496 CA ARG A 90 0.588 -9.248 -4.663 1.00 0.00 C ATOM 497 C ARG A 90 1.154 -10.147 -3.598 1.00 0.00 C ATOM 498 O ARG A 90 1.785 -11.166 -3.875 1.00 0.00 O ATOM 499 CB ARG A 90 0.819 -9.801 -6.089 1.00 0.00 C ATOM 500 CG ARG A 90 -0.067 -11.006 -6.439 1.00 0.00 C ATOM 501 CD ARG A 90 0.219 -11.580 -7.829 1.00 0.00 C ATOM 502 NE ARG A 90 1.608 -12.121 -7.820 1.00 0.00 N ATOM 503 CZ ARG A 90 2.133 -12.715 -8.932 1.00 0.00 C ATOM 504 NH1 ARG A 90 1.389 -12.829 -10.069 1.00 0.00 N ATOM 505 NH2 ARG A 90 3.411 -13.197 -8.903 1.00 0.00 N ATOM 0 H ARG A 90 0.430 -7.440 -3.742 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.501 -9.218 -4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.635 -9.005 -6.811 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.865 -10.089 -6.191 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.081 -11.787 -5.693 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -1.114 -10.707 -6.384 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.496 -12.366 -8.072 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.115 -10.807 -8.591 1.00 0.00 H new ATOM 0 HE ARG A 90 2.173 -12.047 -6.974 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.435 -12.470 -10.092 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.787 -13.274 -10.896 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.969 -13.112 -8.053 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.807 -13.641 -9.731 1.00 0.00 H new ATOM 519 N LYS A 91 0.893 -9.746 -2.335 1.00 0.00 N ATOM 520 CA LYS A 91 1.233 -10.406 -1.105 1.00 0.00 C ATOM 521 C LYS A 91 2.701 -10.333 -0.972 1.00 0.00 C ATOM 522 O LYS A 91 3.423 -11.326 -1.022 1.00 0.00 O ATOM 523 CB LYS A 91 0.783 -11.875 -0.909 1.00 0.00 C ATOM 524 CG LYS A 91 -0.729 -12.150 -0.814 1.00 0.00 C ATOM 525 CD LYS A 91 -1.474 -12.175 -2.161 1.00 0.00 C ATOM 526 CE LYS A 91 -2.968 -12.510 -2.046 1.00 0.00 C ATOM 527 NZ LYS A 91 -3.160 -13.867 -1.489 1.00 0.00 N ATOM 0 H LYS A 91 0.395 -8.873 -2.161 1.00 0.00 H new ATOM 0 HA LYS A 91 0.671 -9.877 -0.336 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.180 -12.461 -1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.251 -12.251 0.001 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.878 -13.108 -0.316 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.182 -11.388 -0.180 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.367 -11.202 -2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.998 -12.907 -2.814 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.462 -11.777 -1.408 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.437 -12.445 -3.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.156 -14.147 -1.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.557 -14.541 -2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.902 -13.868 -0.481 1.00 0.00 H new ATOM 541 N ILE A 92 3.144 -9.081 -0.840 1.00 0.00 N ATOM 542 CA ILE A 92 4.483 -8.683 -1.118 1.00 0.00 C ATOM 543 C ILE A 92 4.596 -7.414 -0.334 1.00 0.00 C ATOM 544 O ILE A 92 5.565 -7.204 0.394 1.00 0.00 O ATOM 545 CB ILE A 92 4.632 -8.407 -2.607 1.00 0.00 C ATOM 546 CG1 ILE A 92 4.902 -9.681 -3.449 1.00 0.00 C ATOM 547 CG2 ILE A 92 5.708 -7.344 -2.880 1.00 0.00 C ATOM 548 CD1 ILE A 92 6.252 -10.360 -3.203 1.00 0.00 C ATOM 0 H ILE A 92 2.549 -8.313 -0.528 1.00 0.00 H new ATOM 0 HA ILE A 92 5.240 -9.424 -0.862 1.00 0.00 H new ATOM 0 HB ILE A 92 3.665 -8.019 -2.928 1.00 0.00 H new ATOM 0 HG12 ILE A 92 4.110 -10.403 -3.248 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.834 -9.419 -4.505 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.786 -7.173 -3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.434 -6.413 -2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.668 -7.691 -2.497 1.00 0.00 H new ATOM 0 HD11 ILE A 92 6.339 -11.239 -3.841 1.00 0.00 H new ATOM 0 HD12 ILE A 92 7.057 -9.663 -3.434 1.00 0.00 H new ATOM 0 HD13 ILE A 92 6.322 -10.662 -2.158 1.00 0.00 H new ATOM 560 N LEU A 93 3.578 -6.541 -0.473 1.00 0.00 N ATOM 561 CA LEU A 93 3.602 -5.245 0.136 1.00 0.00 C ATOM 562 C LEU A 93 2.507 -5.286 1.113 1.00 0.00 C ATOM 563 O LEU A 93 2.537 -4.658 2.163 1.00 0.00 O ATOM 564 CB LEU A 93 3.206 -4.262 -0.924 1.00 0.00 C ATOM 565 CG LEU A 93 2.454 -2.966 -0.565 1.00 0.00 C ATOM 566 CD1 LEU A 93 3.221 -1.717 -1.035 1.00 0.00 C ATOM 567 CD2 LEU A 93 1.035 -2.974 -1.138 1.00 0.00 C ATOM 0 H LEU A 93 2.734 -6.736 -1.011 1.00 0.00 H new ATOM 0 HA LEU A 93 4.566 -4.985 0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.118 -3.968 -1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.589 -4.800 -1.644 1.00 0.00 H new ATOM 0 HG LEU A 93 2.384 -2.924 0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.660 -0.822 -0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.200 -1.690 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.347 -1.753 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.529 -2.047 -0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.081 -3.060 -2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.483 -3.821 -0.730 1.00 0.00 H new ATOM 579 N ALA A 94 1.501 -6.064 0.724 1.00 0.00 N ATOM 580 CA ALA A 94 0.452 -6.555 1.558 1.00 0.00 C ATOM 581 C ALA A 94 0.986 -7.370 2.681 1.00 0.00 C ATOM 582 O ALA A 94 0.371 -7.438 3.741 1.00 0.00 O ATOM 583 CB ALA A 94 -0.366 -7.586 0.809 1.00 0.00 C ATOM 0 H ALA A 94 1.407 -6.377 -0.242 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.100 -5.673 1.881 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -1.164 -7.955 1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.800 -7.130 -0.081 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.276 -8.416 0.515 1.00 0.00 H new ATOM 589 N ASP A 95 2.140 -8.024 2.443 1.00 0.00 N ATOM 590 CA ASP A 95 2.843 -8.791 3.419 1.00 0.00 C ATOM 591 C ASP A 95 3.235 -7.750 4.379 1.00 0.00 C ATOM 592 O ASP A 95 2.963 -7.837 5.567 1.00 0.00 O ATOM 593 CB ASP A 95 4.152 -9.338 2.825 1.00 0.00 C ATOM 594 CG ASP A 95 5.380 -9.310 3.741 1.00 0.00 C ATOM 595 OD1 ASP A 95 5.394 -10.059 4.752 1.00 0.00 O ATOM 596 OD2 ASP A 95 6.338 -8.557 3.414 1.00 0.00 O ATOM 0 H ASP A 95 2.599 -8.016 1.532 1.00 0.00 H new ATOM 0 HA ASP A 95 2.258 -9.624 3.809 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.981 -10.369 2.514 1.00 0.00 H new ATOM 0 HB3 ASP A 95 4.384 -8.768 1.926 1.00 0.00 H new ATOM 601 N MET A 96 3.866 -6.699 3.853 1.00 0.00 N ATOM 602 CA MET A 96 4.379 -5.666 4.703 1.00 0.00 C ATOM 603 C MET A 96 3.250 -4.937 5.408 1.00 0.00 C ATOM 604 O MET A 96 3.472 -4.309 6.432 1.00 0.00 O ATOM 605 CB MET A 96 5.336 -4.735 3.921 1.00 0.00 C ATOM 606 CG MET A 96 5.102 -3.225 3.951 1.00 0.00 C ATOM 607 SD MET A 96 5.261 -2.413 2.333 1.00 0.00 S ATOM 608 CE MET A 96 6.962 -2.921 1.981 1.00 0.00 C ATOM 0 H MET A 96 4.024 -6.557 2.855 1.00 0.00 H new ATOM 0 HA MET A 96 4.981 -6.116 5.493 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.345 -4.917 4.291 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.318 -5.049 2.877 1.00 0.00 H new ATOM 0 HG2 MET A 96 4.105 -3.031 4.346 1.00 0.00 H new ATOM 0 HG3 MET A 96 5.812 -2.772 4.643 1.00 0.00 H new ATOM 0 HE1 MET A 96 7.378 -2.284 1.200 1.00 0.00 H new ATOM 0 HE2 MET A 96 7.564 -2.827 2.885 1.00 0.00 H new ATOM 0 HE3 MET A 96 6.970 -3.958 1.646 1.00 0.00 H new ATOM 618 N ALA A 97 2.000 -5.002 4.908 1.00 0.00 N ATOM 619 CA ALA A 97 0.910 -4.265 5.489 1.00 0.00 C ATOM 620 C ALA A 97 0.623 -4.752 6.869 1.00 0.00 C ATOM 621 O ALA A 97 0.348 -3.957 7.765 1.00 0.00 O ATOM 622 CB ALA A 97 -0.396 -4.363 4.687 1.00 0.00 C ATOM 0 H ALA A 97 1.741 -5.566 4.099 1.00 0.00 H new ATOM 0 HA ALA A 97 1.238 -3.226 5.490 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.173 -3.783 5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.237 -3.970 3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.706 -5.406 4.623 1.00 0.00 H new ATOM 628 N VAL A 98 0.692 -6.082 7.063 1.00 0.00 N ATOM 629 CA VAL A 98 0.311 -6.684 8.299 1.00 0.00 C ATOM 630 C VAL A 98 1.558 -6.873 9.100 1.00 0.00 C ATOM 631 O VAL A 98 1.587 -6.614 10.302 1.00 0.00 O ATOM 632 CB VAL A 98 -0.290 -8.060 8.110 1.00 0.00 C ATOM 633 CG1 VAL A 98 -1.339 -8.293 9.211 1.00 0.00 C ATOM 634 CG2 VAL A 98 -0.860 -8.217 6.685 1.00 0.00 C ATOM 0 H VAL A 98 1.015 -6.743 6.356 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.428 -6.040 8.776 1.00 0.00 H new ATOM 0 HB VAL A 98 0.477 -8.829 8.207 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.782 -9.281 9.088 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.861 -8.228 10.188 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.118 -7.535 9.137 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.287 -9.214 6.572 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.635 -7.469 6.519 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.061 -8.079 5.956 1.00 0.00 H new ATOM 644 N ARG A 99 2.611 -7.368 8.424 1.00 0.00 N ATOM 645 CA ARG A 99 3.736 -7.962 9.075 1.00 0.00 C ATOM 646 C ARG A 99 4.770 -6.920 9.394 1.00 0.00 C ATOM 647 O ARG A 99 5.419 -7.011 10.434 1.00 0.00 O ATOM 648 CB ARG A 99 4.396 -9.086 8.238 1.00 0.00 C ATOM 649 CG ARG A 99 3.533 -10.359 8.059 1.00 0.00 C ATOM 650 CD ARG A 99 2.610 -10.432 6.828 1.00 0.00 C ATOM 651 NE ARG A 99 1.898 -11.740 6.851 1.00 0.00 N ATOM 652 CZ ARG A 99 2.360 -12.830 6.166 1.00 0.00 C ATOM 653 NH1 ARG A 99 3.517 -12.772 5.447 1.00 0.00 N ATOM 654 NH2 ARG A 99 1.649 -13.996 6.204 1.00 0.00 N ATOM 0 H ARG A 99 2.682 -7.355 7.407 1.00 0.00 H new ATOM 0 HA ARG A 99 3.353 -8.411 9.992 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.641 -8.689 7.253 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.337 -9.366 8.711 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.204 -11.217 8.026 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.914 -10.472 8.949 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.894 -9.610 6.842 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.192 -10.333 5.911 1.00 0.00 H new ATOM 0 HE ARG A 99 1.039 -11.826 7.395 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.054 -11.905 5.414 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.846 -13.595 4.943 1.00 0.00 H new ATOM 0 HH21 ARG A 99 0.782 -14.048 6.740 1.00 0.00 H new ATOM 0 HH22 ARG A 99 1.985 -14.815 5.697 1.00 0.00 H new ATOM 668 N ASP A 100 4.945 -5.908 8.510 1.00 0.00 N ATOM 669 CA ASP A 100 5.899 -4.845 8.703 1.00 0.00 C ATOM 670 C ASP A 100 5.229 -3.502 8.591 1.00 0.00 C ATOM 671 O ASP A 100 5.435 -2.827 7.587 1.00 0.00 O ATOM 672 CB ASP A 100 6.978 -4.898 7.606 1.00 0.00 C ATOM 673 CG ASP A 100 8.263 -4.199 8.040 1.00 0.00 C ATOM 674 OD1 ASP A 100 8.275 -3.553 9.121 1.00 0.00 O ATOM 675 OD2 ASP A 100 9.264 -4.312 7.282 1.00 0.00 O ATOM 0 H ASP A 100 4.413 -5.827 7.644 1.00 0.00 H new ATOM 0 HA ASP A 100 6.336 -4.974 9.693 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.195 -5.937 7.360 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.597 -4.428 6.699 1.00 0.00 H new ATOM 680 N PRO A 101 4.435 -3.040 9.521 1.00 0.00 N ATOM 681 CA PRO A 101 3.592 -1.887 9.324 1.00 0.00 C ATOM 682 C PRO A 101 4.414 -0.633 9.403 1.00 0.00 C ATOM 683 O PRO A 101 3.891 0.428 9.070 1.00 0.00 O ATOM 684 CB PRO A 101 2.572 -1.951 10.464 1.00 0.00 C ATOM 685 CG PRO A 101 3.221 -2.843 11.529 1.00 0.00 C ATOM 686 CD PRO A 101 4.101 -3.783 10.712 1.00 0.00 C ATOM 0 HA PRO A 101 3.105 -1.880 8.349 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.358 -0.958 10.858 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.625 -2.369 10.123 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.807 -2.260 12.239 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.474 -3.390 12.105 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.997 -4.066 11.265 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.573 -4.705 10.467 1.00 0.00 H new ATOM 694 N GLN A 102 5.689 -0.732 9.825 1.00 0.00 N ATOM 695 CA GLN A 102 6.592 0.376 9.837 1.00 0.00 C ATOM 696 C GLN A 102 6.950 0.673 8.414 1.00 0.00 C ATOM 697 O GLN A 102 6.962 1.832 8.004 1.00 0.00 O ATOM 698 CB GLN A 102 7.880 0.044 10.617 1.00 0.00 C ATOM 699 CG GLN A 102 8.849 1.225 10.743 1.00 0.00 C ATOM 700 CD GLN A 102 10.031 0.775 11.598 1.00 0.00 C ATOM 701 OE1 GLN A 102 11.136 0.550 11.089 1.00 0.00 O ATOM 702 NE2 GLN A 102 9.776 0.648 12.937 1.00 0.00 N ATOM 0 H GLN A 102 6.100 -1.601 10.165 1.00 0.00 H new ATOM 0 HA GLN A 102 6.116 1.227 10.324 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.610 -0.301 11.615 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.391 -0.782 10.122 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.190 1.545 9.758 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.351 2.080 11.201 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.844 0.848 13.300 1.00 0.00 H new ATOM 0 HE22 GLN A 102 10.518 0.354 13.572 1.00 0.00 H new ATOM 711 N ALA A 103 7.236 -0.387 7.630 1.00 0.00 N ATOM 712 CA ALA A 103 7.627 -0.241 6.260 1.00 0.00 C ATOM 713 C ALA A 103 6.420 0.052 5.436 1.00 0.00 C ATOM 714 O ALA A 103 6.517 0.811 4.475 1.00 0.00 O ATOM 715 CB ALA A 103 8.300 -1.492 5.684 1.00 0.00 C ATOM 0 H ALA A 103 7.195 -1.354 7.951 1.00 0.00 H new ATOM 0 HA ALA A 103 8.352 0.572 6.228 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.571 -1.313 4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.198 -1.719 6.259 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.611 -2.334 5.740 1.00 0.00 H new ATOM 721 N PHE A 104 5.254 -0.536 5.790 1.00 0.00 N ATOM 722 CA PHE A 104 4.019 -0.151 5.142 1.00 0.00 C ATOM 723 C PHE A 104 3.788 1.326 5.168 1.00 0.00 C ATOM 724 O PHE A 104 3.435 1.900 4.142 1.00 0.00 O ATOM 725 CB PHE A 104 2.748 -0.784 5.727 1.00 0.00 C ATOM 726 CG PHE A 104 1.644 -0.636 4.720 1.00 0.00 C ATOM 727 CD1 PHE A 104 1.671 -1.374 3.551 1.00 0.00 C ATOM 728 CD2 PHE A 104 0.585 0.230 4.930 1.00 0.00 C ATOM 729 CE1 PHE A 104 0.668 -1.265 2.614 1.00 0.00 C ATOM 730 CE2 PHE A 104 -0.420 0.347 3.988 1.00 0.00 C ATOM 731 CZ PHE A 104 -0.390 -0.410 2.834 1.00 0.00 C ATOM 0 H PHE A 104 5.161 -1.258 6.504 1.00 0.00 H new ATOM 0 HA PHE A 104 4.173 -0.522 4.129 1.00 0.00 H new ATOM 0 HB2 PHE A 104 2.917 -1.837 5.954 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.477 -0.296 6.663 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.494 -2.049 3.369 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.544 0.818 5.835 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.710 -1.849 1.707 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.235 1.036 4.156 1.00 0.00 H new ATOM 0 HZ PHE A 104 -1.188 -0.333 2.111 1.00 0.00 H new ATOM 741 N GLU A 105 3.987 1.981 6.332 1.00 0.00 N ATOM 742 CA GLU A 105 3.716 3.387 6.463 1.00 0.00 C ATOM 743 C GLU A 105 4.726 4.239 5.744 1.00 0.00 C ATOM 744 O GLU A 105 4.472 5.419 5.520 1.00 0.00 O ATOM 745 CB GLU A 105 3.685 3.837 7.933 1.00 0.00 C ATOM 746 CG GLU A 105 2.418 3.362 8.654 1.00 0.00 C ATOM 747 CD GLU A 105 2.568 3.673 10.136 1.00 0.00 C ATOM 748 OE1 GLU A 105 2.695 4.878 10.480 1.00 0.00 O ATOM 749 OE2 GLU A 105 2.556 2.707 10.944 1.00 0.00 O ATOM 0 H GLU A 105 4.335 1.538 7.182 1.00 0.00 H new ATOM 0 HA GLU A 105 2.734 3.526 6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.563 3.449 8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 105 3.743 4.924 7.980 1.00 0.00 H new ATOM 0 HG2 GLU A 105 1.539 3.863 8.248 1.00 0.00 H new ATOM 0 HG3 GLU A 105 2.273 2.292 8.503 1.00 0.00 H new ATOM 756 N GLN A 106 5.882 3.669 5.348 1.00 0.00 N ATOM 757 CA GLN A 106 6.880 4.379 4.594 1.00 0.00 C ATOM 758 C GLN A 106 6.524 4.378 3.140 1.00 0.00 C ATOM 759 O GLN A 106 6.795 5.342 2.423 1.00 0.00 O ATOM 760 CB GLN A 106 8.256 3.707 4.676 1.00 0.00 C ATOM 761 CG GLN A 106 8.982 4.006 5.989 1.00 0.00 C ATOM 762 CD GLN A 106 10.244 3.150 6.041 1.00 0.00 C ATOM 763 OE1 GLN A 106 11.091 3.201 5.140 1.00 0.00 O ATOM 764 NE2 GLN A 106 10.358 2.340 7.138 1.00 0.00 N ATOM 0 H GLN A 106 6.130 2.701 5.553 1.00 0.00 H new ATOM 0 HA GLN A 106 6.917 5.383 5.018 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.136 2.629 4.569 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.870 4.044 3.841 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.237 5.064 6.050 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.337 3.784 6.839 1.00 0.00 H new ATOM 0 HE21 GLN A 106 9.628 2.340 7.850 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.173 1.737 7.244 1.00 0.00 H new ATOM 773 N VAL A 107 5.906 3.280 2.669 1.00 0.00 N ATOM 774 CA VAL A 107 5.506 3.159 1.290 1.00 0.00 C ATOM 775 C VAL A 107 4.318 4.047 1.098 1.00 0.00 C ATOM 776 O VAL A 107 4.139 4.640 0.038 1.00 0.00 O ATOM 777 CB VAL A 107 5.155 1.742 0.882 1.00 0.00 C ATOM 778 CG1 VAL A 107 4.639 1.716 -0.572 1.00 0.00 C ATOM 779 CG2 VAL A 107 6.422 0.877 1.004 1.00 0.00 C ATOM 0 H VAL A 107 5.679 2.468 3.243 1.00 0.00 H new ATOM 0 HA VAL A 107 6.348 3.448 0.661 1.00 0.00 H new ATOM 0 HB VAL A 107 4.369 1.354 1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.391 0.692 -0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.749 2.340 -0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 107 5.412 2.097 -1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 107 6.192 -0.148 0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 107 7.198 1.273 0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 107 6.775 0.892 2.035 1.00 0.00 H new ATOM 789 N VAL A 108 3.490 4.183 2.147 1.00 0.00 N ATOM 790 CA VAL A 108 2.370 5.081 2.153 1.00 0.00 C ATOM 791 C VAL A 108 2.882 6.490 2.149 1.00 0.00 C ATOM 792 O VAL A 108 2.306 7.358 1.499 1.00 0.00 O ATOM 793 CB VAL A 108 1.506 4.850 3.370 1.00 0.00 C ATOM 794 CG1 VAL A 108 0.557 6.032 3.624 1.00 0.00 C ATOM 795 CG2 VAL A 108 0.731 3.546 3.129 1.00 0.00 C ATOM 0 H VAL A 108 3.598 3.658 3.015 1.00 0.00 H new ATOM 0 HA VAL A 108 1.761 4.902 1.267 1.00 0.00 H new ATOM 0 HB VAL A 108 2.123 4.768 4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.048 5.829 4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.140 6.939 3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.095 6.167 2.761 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.091 3.339 3.987 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.117 3.648 2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.434 2.724 2.995 1.00 0.00 H new ATOM 805 N ASN A 109 3.993 6.749 2.861 1.00 0.00 N ATOM 806 CA ASN A 109 4.562 8.071 2.923 1.00 0.00 C ATOM 807 C ASN A 109 5.098 8.466 1.573 1.00 0.00 C ATOM 808 O ASN A 109 5.165 9.650 1.250 1.00 0.00 O ATOM 809 CB ASN A 109 5.696 8.189 3.960 1.00 0.00 C ATOM 810 CG ASN A 109 6.066 9.661 4.158 1.00 0.00 C ATOM 811 OD1 ASN A 109 7.152 10.102 3.763 1.00 0.00 O ATOM 812 ND2 ASN A 109 5.128 10.422 4.798 1.00 0.00 N ATOM 0 H ASN A 109 4.502 6.046 3.397 1.00 0.00 H new ATOM 0 HA ASN A 109 3.758 8.739 3.231 1.00 0.00 H new ATOM 0 HB2 ASN A 109 5.381 7.753 4.908 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.568 7.627 3.625 1.00 0.00 H new ATOM 0 HD21 ASN A 109 5.306 11.411 4.973 1.00 0.00 H new ATOM 0 HD22 ASN A 109 4.250 10.001 5.101 1.00 0.00 H new ATOM 819 N LYS A 110 5.475 7.479 0.736 1.00 0.00 N ATOM 820 CA LYS A 110 5.844 7.770 -0.620 1.00 0.00 C ATOM 821 C LYS A 110 4.609 8.061 -1.433 1.00 0.00 C ATOM 822 O LYS A 110 4.564 9.071 -2.126 1.00 0.00 O ATOM 823 CB LYS A 110 6.617 6.613 -1.286 1.00 0.00 C ATOM 824 CG LYS A 110 7.240 6.965 -2.647 1.00 0.00 C ATOM 825 CD LYS A 110 8.382 7.987 -2.552 1.00 0.00 C ATOM 826 CE LYS A 110 9.142 8.157 -3.870 1.00 0.00 C ATOM 827 NZ LYS A 110 10.260 9.107 -3.687 1.00 0.00 N ATOM 0 H LYS A 110 5.524 6.493 0.992 1.00 0.00 H new ATOM 0 HA LYS A 110 6.502 8.638 -0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.408 6.286 -0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.940 5.769 -1.417 1.00 0.00 H new ATOM 0 HG2 LYS A 110 7.616 6.054 -3.112 1.00 0.00 H new ATOM 0 HG3 LYS A 110 6.463 7.360 -3.302 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.975 8.951 -2.246 1.00 0.00 H new ATOM 0 HD3 LYS A 110 9.079 7.674 -1.775 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.524 7.193 -4.207 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.467 8.521 -4.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 10.772 9.218 -4.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 9.886 10.029 -3.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 10.910 8.743 -2.961 1.00 0.00 H new ATOM 841 N VAL A 111 3.587 7.174 -1.373 1.00 0.00 N ATOM 842 CA VAL A 111 2.402 7.177 -2.207 1.00 0.00 C ATOM 843 C VAL A 111 1.327 8.021 -1.596 1.00 0.00 C ATOM 844 O VAL A 111 0.160 7.937 -1.964 1.00 0.00 O ATOM 845 CB VAL A 111 1.963 5.737 -2.496 1.00 0.00 C ATOM 846 CG1 VAL A 111 0.760 5.610 -3.453 1.00 0.00 C ATOM 847 CG2 VAL A 111 3.160 5.044 -3.168 1.00 0.00 C ATOM 0 H VAL A 111 3.585 6.406 -0.702 1.00 0.00 H new ATOM 0 HA VAL A 111 2.628 7.635 -3.170 1.00 0.00 H new ATOM 0 HB VAL A 111 1.653 5.294 -1.550 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.521 4.557 -3.599 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.102 6.122 -3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.010 6.062 -4.413 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.901 4.010 -3.397 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.413 5.567 -4.090 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.017 5.063 -2.494 1.00 0.00 H new ATOM 857 N LYS A 112 1.689 8.929 -0.681 1.00 0.00 N ATOM 858 CA LYS A 112 0.794 9.998 -0.388 1.00 0.00 C ATOM 859 C LYS A 112 1.000 11.036 -1.439 1.00 0.00 C ATOM 860 O LYS A 112 0.039 11.550 -1.995 1.00 0.00 O ATOM 861 CB LYS A 112 0.903 10.562 1.049 1.00 0.00 C ATOM 862 CG LYS A 112 2.273 11.092 1.490 1.00 0.00 C ATOM 863 CD LYS A 112 2.357 12.623 1.518 1.00 0.00 C ATOM 864 CE LYS A 112 3.730 13.125 1.964 1.00 0.00 C ATOM 865 NZ LYS A 112 3.788 14.599 1.870 1.00 0.00 N ATOM 0 H LYS A 112 2.566 8.928 -0.161 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.228 9.619 -0.410 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.179 11.370 1.151 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.604 9.777 1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 112 2.501 10.705 2.483 1.00 0.00 H new ATOM 0 HG3 LYS A 112 3.037 10.706 0.815 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.136 13.014 0.525 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.594 13.013 2.192 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.925 12.810 2.989 1.00 0.00 H new ATOM 0 HE3 LYS A 112 4.507 12.682 1.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 4.726 14.930 2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 3.622 14.891 0.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 3.058 15.015 2.483 1.00 0.00 H new ATOM 879 N GLU A 113 2.262 11.354 -1.760 1.00 0.00 N ATOM 880 CA GLU A 113 2.544 12.456 -2.626 1.00 0.00 C ATOM 881 C GLU A 113 2.696 11.987 -4.014 1.00 0.00 C ATOM 882 O GLU A 113 2.390 12.668 -4.988 1.00 0.00 O ATOM 883 CB GLU A 113 3.831 13.149 -2.212 1.00 0.00 C ATOM 884 CG GLU A 113 5.102 12.299 -2.077 1.00 0.00 C ATOM 885 CD GLU A 113 6.241 13.216 -1.652 1.00 0.00 C ATOM 886 OE1 GLU A 113 6.129 13.840 -0.564 1.00 0.00 O ATOM 887 OE2 GLU A 113 7.241 13.303 -2.414 1.00 0.00 O ATOM 0 H GLU A 113 3.085 10.853 -1.424 1.00 0.00 H new ATOM 0 HA GLU A 113 1.711 13.156 -2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 113 4.033 13.937 -2.938 1.00 0.00 H new ATOM 0 HB3 GLU A 113 3.653 13.636 -1.253 1.00 0.00 H new ATOM 0 HG2 GLU A 113 4.955 11.508 -1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 113 5.337 11.813 -3.024 1.00 0.00 H new ATOM 894 N ALA A 114 3.190 10.761 -4.089 1.00 0.00 N ATOM 895 CA ALA A 114 3.278 10.039 -5.328 1.00 0.00 C ATOM 896 C ALA A 114 1.903 9.624 -5.773 1.00 0.00 C ATOM 897 O ALA A 114 1.707 9.392 -6.964 1.00 0.00 O ATOM 898 CB ALA A 114 4.205 8.815 -5.329 1.00 0.00 C ATOM 0 H ALA A 114 3.540 10.245 -3.282 1.00 0.00 H new ATOM 0 HA ALA A 114 3.736 10.741 -6.024 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.192 8.350 -6.315 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.221 9.128 -5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.861 8.097 -4.585 1.00 0.00 H new ATOM 904 N LEU A 115 0.901 9.562 -4.858 1.00 0.00 N ATOM 905 CA LEU A 115 -0.465 9.577 -5.314 1.00 0.00 C ATOM 906 C LEU A 115 -0.681 10.939 -5.876 1.00 0.00 C ATOM 907 O LEU A 115 -0.965 11.094 -7.064 1.00 0.00 O ATOM 908 CB LEU A 115 -1.516 9.356 -4.209 1.00 0.00 C ATOM 909 CG LEU A 115 -2.969 9.415 -4.718 1.00 0.00 C ATOM 910 CD1 LEU A 115 -3.368 8.133 -5.469 1.00 0.00 C ATOM 911 CD2 LEU A 115 -3.939 9.728 -3.564 1.00 0.00 C ATOM 0 H LEU A 115 1.028 9.504 -3.848 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.596 8.758 -6.021 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.342 8.386 -3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.380 10.111 -3.434 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.034 10.230 -5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.400 8.217 -5.810 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.712 7.995 -6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.276 7.276 -4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -4.959 9.765 -3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -3.864 8.950 -2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.682 10.691 -3.123 1.00 0.00 H new