USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 394 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 48 LYS NZ :NH3+ -149:sc= 1 (180deg=-0.0435) USER MOD Set 1.2: A 51 SER OG : rot 95:sc= 0.66 USER MOD Set 2.1: A 7 THR OG1 : rot -81:sc= 0.0638 USER MOD Set 2.2: A 9 LYS NZ :NH3+ 160:sc= 0.502 (180deg=-0.0702) USER MOD Set 3.1: A 6 TYR OH : rot 87:sc= -0.35! USER MOD Set 3.2: A 20 GLN : amide:sc= 1.07 K(o=0.72,f=-3) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0411 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.21) USER MOD Single : A 4 THR OG1 : rot 48:sc= 0.121 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0.00857 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.573 K(o=-0.57,f=-6.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -4.01 K(o=-4,f=-13!) USER MOD Single : A 30 SER OG : rot 72:sc= 1.15 USER MOD Single : A 32 ASN : amide:sc= 1.93 K(o=1.9,f=-8.5!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.946! X(o=-0.95!,f=-1) USER MOD Single : A 44 LYS NZ :NH3+ -174:sc= -0.886 (180deg=-1.01) USER MOD Single : A 49 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0692) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.723 14.266 -9.163 1.00 0.00 N ATOM 2 CA GLY A 1 2.699 13.342 -8.548 1.00 0.00 C ATOM 3 C GLY A 1 2.706 11.993 -9.232 1.00 0.00 C ATOM 4 O GLY A 1 1.708 11.589 -9.837 1.00 0.00 O ATOM 0 H1 GLY A 1 2.230 15.038 -9.641 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.145 13.749 -9.856 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.107 14.662 -8.425 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.696 13.780 -8.599 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.461 13.213 -7.492 1.00 0.00 H new ATOM 8 N THR A 2 3.823 11.292 -9.133 1.00 0.00 N ATOM 9 CA THR A 2 3.970 9.999 -9.770 1.00 0.00 C ATOM 10 C THR A 2 3.364 8.902 -8.905 1.00 0.00 C ATOM 11 O THR A 2 3.872 8.597 -7.820 1.00 0.00 O ATOM 12 CB THR A 2 5.456 9.683 -10.044 1.00 0.00 C ATOM 13 OG1 THR A 2 6.031 10.715 -10.859 1.00 0.00 O ATOM 14 CG2 THR A 2 5.617 8.336 -10.741 1.00 0.00 C ATOM 0 H THR A 2 4.645 11.601 -8.614 1.00 0.00 H new ATOM 0 HA THR A 2 3.439 10.036 -10.721 1.00 0.00 H new ATOM 0 HB THR A 2 5.972 9.637 -9.085 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.974 10.511 -11.028 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.675 8.143 -10.920 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.206 7.548 -10.110 1.00 0.00 H new ATOM 0 HG23 THR A 2 5.085 8.353 -11.692 1.00 0.00 H new ATOM 22 N ASN A 3 2.257 8.332 -9.375 1.00 0.00 N ATOM 23 CA ASN A 3 1.621 7.218 -8.682 1.00 0.00 C ATOM 24 C ASN A 3 2.609 6.070 -8.533 1.00 0.00 C ATOM 25 O ASN A 3 3.128 5.550 -9.517 1.00 0.00 O ATOM 26 CB ASN A 3 0.351 6.756 -9.420 1.00 0.00 C ATOM 27 CG ASN A 3 0.587 6.389 -10.876 1.00 0.00 C ATOM 28 OD1 ASN A 3 0.528 7.244 -11.760 1.00 0.00 O ATOM 29 ND2 ASN A 3 0.834 5.114 -11.137 1.00 0.00 N ATOM 0 H ASN A 3 1.784 8.623 -10.231 1.00 0.00 H new ATOM 0 HA ASN A 3 1.319 7.554 -7.690 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -0.066 5.893 -8.901 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -0.395 7.549 -9.371 1.00 0.00 H new ATOM 0 HD21 ASN A 3 0.984 4.810 -12.099 1.00 0.00 H new ATOM 0 HD22 ASN A 3 0.875 4.436 -10.376 1.00 0.00 H new ATOM 36 N THR A 4 2.891 5.692 -7.303 1.00 0.00 N ATOM 37 CA THR A 4 3.885 4.692 -7.049 1.00 0.00 C ATOM 38 C THR A 4 3.201 3.412 -6.588 1.00 0.00 C ATOM 39 O THR A 4 2.043 3.439 -6.167 1.00 0.00 O ATOM 40 CB THR A 4 4.866 5.220 -5.980 1.00 0.00 C ATOM 41 OG1 THR A 4 5.417 6.472 -6.420 1.00 0.00 O ATOM 42 CG2 THR A 4 5.991 4.235 -5.698 1.00 0.00 C ATOM 0 H THR A 4 2.441 6.068 -6.469 1.00 0.00 H new ATOM 0 HA THR A 4 4.448 4.471 -7.956 1.00 0.00 H new ATOM 0 HB THR A 4 4.310 5.355 -5.052 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.695 7.053 -6.738 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.656 4.649 -4.940 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.571 3.296 -5.338 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.553 4.053 -6.614 1.00 0.00 H new ATOM 50 N TYR A 5 3.867 2.294 -6.735 1.00 0.00 N ATOM 51 CA TYR A 5 3.378 1.066 -6.153 1.00 0.00 C ATOM 52 C TYR A 5 4.492 0.379 -5.384 1.00 0.00 C ATOM 53 O TYR A 5 5.674 0.513 -5.717 1.00 0.00 O ATOM 54 CB TYR A 5 2.775 0.132 -7.213 1.00 0.00 C ATOM 55 CG TYR A 5 3.483 0.144 -8.552 1.00 0.00 C ATOM 56 CD1 TYR A 5 4.790 -0.302 -8.688 1.00 0.00 C ATOM 57 CD2 TYR A 5 2.826 0.603 -9.684 1.00 0.00 C ATOM 58 CE1 TYR A 5 5.423 -0.287 -9.916 1.00 0.00 C ATOM 59 CE2 TYR A 5 3.450 0.619 -10.915 1.00 0.00 C ATOM 60 CZ TYR A 5 4.749 0.173 -11.027 1.00 0.00 C ATOM 61 OH TYR A 5 5.378 0.191 -12.252 1.00 0.00 O ATOM 0 H TYR A 5 4.744 2.207 -7.249 1.00 0.00 H new ATOM 0 HA TYR A 5 2.574 1.315 -5.460 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.781 -0.886 -6.824 1.00 0.00 H new ATOM 0 HB3 TYR A 5 1.732 0.408 -7.368 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.320 -0.666 -7.821 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.808 0.954 -9.601 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.442 -0.634 -10.005 1.00 0.00 H new ATOM 0 HE2 TYR A 5 2.923 0.979 -11.786 1.00 0.00 H new ATOM 0 HH TYR A 5 4.764 0.543 -12.930 1.00 0.00 H new ATOM 71 N TYR A 6 4.110 -0.342 -4.357 1.00 0.00 N ATOM 72 CA TYR A 6 5.061 -0.976 -3.472 1.00 0.00 C ATOM 73 C TYR A 6 4.709 -2.446 -3.304 1.00 0.00 C ATOM 74 O TYR A 6 3.534 -2.808 -3.257 1.00 0.00 O ATOM 75 CB TYR A 6 5.061 -0.210 -2.136 1.00 0.00 C ATOM 76 CG TYR A 6 5.400 -1.012 -0.901 1.00 0.00 C ATOM 77 CD1 TYR A 6 6.711 -1.172 -0.469 1.00 0.00 C ATOM 78 CD2 TYR A 6 4.388 -1.594 -0.151 1.00 0.00 C ATOM 79 CE1 TYR A 6 6.994 -1.884 0.683 1.00 0.00 C ATOM 80 CE2 TYR A 6 4.661 -2.307 0.991 1.00 0.00 C ATOM 81 CZ TYR A 6 5.962 -2.454 1.402 1.00 0.00 C ATOM 82 OH TYR A 6 6.229 -3.168 2.542 1.00 0.00 O ATOM 0 H TYR A 6 3.134 -0.506 -4.111 1.00 0.00 H new ATOM 0 HA TYR A 6 6.069 -0.941 -3.886 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.771 0.613 -2.214 1.00 0.00 H new ATOM 0 HB3 TYR A 6 4.075 0.232 -1.996 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.518 -0.736 -1.039 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.363 -1.484 -0.472 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.015 -1.993 1.018 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.857 -2.749 1.561 1.00 0.00 H new ATOM 0 HH TYR A 6 6.265 -2.559 3.309 1.00 0.00 H new ATOM 92 N THR A 7 5.720 -3.295 -3.283 1.00 0.00 N ATOM 93 CA THR A 7 5.515 -4.699 -3.000 1.00 0.00 C ATOM 94 C THR A 7 5.453 -4.925 -1.509 1.00 0.00 C ATOM 95 O THR A 7 6.401 -4.611 -0.789 1.00 0.00 O ATOM 96 CB THR A 7 6.621 -5.570 -3.611 1.00 0.00 C ATOM 97 OG1 THR A 7 7.840 -4.819 -3.708 1.00 0.00 O ATOM 98 CG2 THR A 7 6.201 -6.089 -4.971 1.00 0.00 C ATOM 0 H THR A 7 6.690 -3.034 -3.459 1.00 0.00 H new ATOM 0 HA THR A 7 4.568 -4.991 -3.454 1.00 0.00 H new ATOM 0 HB THR A 7 6.791 -6.428 -2.961 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.813 -4.253 -4.508 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.998 -6.704 -5.388 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.296 -6.688 -4.868 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.006 -5.248 -5.637 1.00 0.00 H new ATOM 106 N VAL A 8 4.337 -5.466 -1.055 1.00 0.00 N ATOM 107 CA VAL A 8 4.114 -5.686 0.362 1.00 0.00 C ATOM 108 C VAL A 8 5.239 -6.538 0.945 1.00 0.00 C ATOM 109 O VAL A 8 5.549 -7.616 0.437 1.00 0.00 O ATOM 110 CB VAL A 8 2.757 -6.367 0.616 1.00 0.00 C ATOM 111 CG1 VAL A 8 2.528 -6.545 2.109 1.00 0.00 C ATOM 112 CG2 VAL A 8 1.619 -5.564 -0.019 1.00 0.00 C ATOM 0 H VAL A 8 3.566 -5.763 -1.653 1.00 0.00 H new ATOM 0 HA VAL A 8 4.104 -4.714 0.854 1.00 0.00 H new ATOM 0 HB VAL A 8 2.771 -7.352 0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.565 -7.028 2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.321 -7.165 2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.534 -5.570 2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.670 -6.064 0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.596 -4.563 0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.780 -5.493 -1.095 1.00 0.00 H new ATOM 122 N LYS A 9 5.869 -6.017 1.981 1.00 0.00 N ATOM 123 CA LYS A 9 6.987 -6.672 2.638 1.00 0.00 C ATOM 124 C LYS A 9 6.483 -7.458 3.829 1.00 0.00 C ATOM 125 O LYS A 9 5.272 -7.616 3.985 1.00 0.00 O ATOM 126 CB LYS A 9 8.034 -5.651 3.083 1.00 0.00 C ATOM 127 CG LYS A 9 9.433 -5.910 2.533 1.00 0.00 C ATOM 128 CD LYS A 9 9.550 -5.549 1.055 1.00 0.00 C ATOM 129 CE LYS A 9 8.852 -6.550 0.145 1.00 0.00 C ATOM 130 NZ LYS A 9 8.879 -6.111 -1.270 1.00 0.00 N ATOM 0 H LYS A 9 5.618 -5.119 2.395 1.00 0.00 H new ATOM 0 HA LYS A 9 7.460 -7.351 1.929 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.712 -4.657 2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.079 -5.645 4.172 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.159 -5.331 3.105 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.686 -6.962 2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.124 -4.559 0.893 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.604 -5.491 0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.336 -7.523 0.234 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.819 -6.677 0.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.715 -6.929 -1.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.135 -5.402 -1.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.807 -5.693 -1.486 1.00 0.00 H new ATOM 144 N SER A 10 7.406 -8.037 4.599 1.00 0.00 N ATOM 145 CA SER A 10 7.079 -8.666 5.878 1.00 0.00 C ATOM 146 C SER A 10 6.402 -7.658 6.828 1.00 0.00 C ATOM 147 O SER A 10 6.966 -7.237 7.843 1.00 0.00 O ATOM 148 CB SER A 10 8.354 -9.230 6.504 1.00 0.00 C ATOM 149 OG SER A 10 9.105 -9.945 5.534 1.00 0.00 O ATOM 0 H SER A 10 8.395 -8.083 4.355 1.00 0.00 H new ATOM 0 HA SER A 10 6.375 -9.480 5.706 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.956 -8.419 6.914 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.099 -9.889 7.334 1.00 0.00 H new ATOM 0 HG SER A 10 9.920 -10.300 5.947 1.00 0.00 H new ATOM 155 N GLY A 11 5.196 -7.285 6.451 1.00 0.00 N ATOM 156 CA GLY A 11 4.398 -6.303 7.145 1.00 0.00 C ATOM 157 C GLY A 11 3.046 -6.249 6.476 1.00 0.00 C ATOM 158 O GLY A 11 2.504 -5.185 6.204 1.00 0.00 O ATOM 0 H GLY A 11 4.733 -7.670 5.628 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.293 -6.570 8.197 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.880 -5.326 7.111 1.00 0.00 H new ATOM 162 N ASP A 12 2.536 -7.449 6.233 1.00 0.00 N ATOM 163 CA ASP A 12 1.345 -7.748 5.420 1.00 0.00 C ATOM 164 C ASP A 12 0.079 -6.973 5.799 1.00 0.00 C ATOM 165 O ASP A 12 -0.975 -7.183 5.204 1.00 0.00 O ATOM 166 CB ASP A 12 1.060 -9.244 5.488 1.00 0.00 C ATOM 167 CG ASP A 12 0.779 -9.706 6.904 1.00 0.00 C ATOM 168 OD1 ASP A 12 1.741 -9.809 7.698 1.00 0.00 O ATOM 169 OD2 ASP A 12 -0.397 -9.951 7.236 1.00 0.00 O ATOM 0 H ASP A 12 2.960 -8.294 6.616 1.00 0.00 H new ATOM 0 HA ASP A 12 1.590 -7.422 4.409 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.205 -9.479 4.854 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.913 -9.794 5.090 1.00 0.00 H new ATOM 174 N THR A 13 0.142 -6.125 6.797 1.00 0.00 N ATOM 175 CA THR A 13 -1.060 -5.510 7.311 1.00 0.00 C ATOM 176 C THR A 13 -1.037 -4.015 7.019 1.00 0.00 C ATOM 177 O THR A 13 0.028 -3.394 7.004 1.00 0.00 O ATOM 178 CB THR A 13 -1.198 -5.775 8.824 1.00 0.00 C ATOM 179 OG1 THR A 13 -0.982 -7.171 9.083 1.00 0.00 O ATOM 180 CG2 THR A 13 -2.578 -5.380 9.331 1.00 0.00 C ATOM 0 H THR A 13 1.004 -5.846 7.266 1.00 0.00 H new ATOM 0 HA THR A 13 -1.926 -5.949 6.815 1.00 0.00 H new ATOM 0 HB THR A 13 -0.455 -5.172 9.345 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.068 -7.342 10.044 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.643 -5.579 10.401 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.742 -4.318 9.149 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.338 -5.960 8.807 1.00 0.00 H new ATOM 188 N LEU A 14 -2.219 -3.451 6.791 1.00 0.00 N ATOM 189 CA LEU A 14 -2.360 -2.097 6.263 1.00 0.00 C ATOM 190 C LEU A 14 -1.595 -1.079 7.089 1.00 0.00 C ATOM 191 O LEU A 14 -0.857 -0.262 6.545 1.00 0.00 O ATOM 192 CB LEU A 14 -3.835 -1.709 6.251 1.00 0.00 C ATOM 193 CG LEU A 14 -4.736 -2.558 5.360 1.00 0.00 C ATOM 194 CD1 LEU A 14 -6.196 -2.319 5.700 1.00 0.00 C ATOM 195 CD2 LEU A 14 -4.481 -2.232 3.901 1.00 0.00 C ATOM 0 H LEU A 14 -3.108 -3.920 6.967 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.948 -2.094 5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.213 -1.760 7.272 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.916 -0.670 5.932 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.506 -3.609 5.534 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.825 -2.933 5.055 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.375 -2.586 6.742 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.437 -1.267 5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.129 -2.843 3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.691 -1.178 3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.439 -2.440 3.658 1.00 0.00 H new ATOM 207 N ASN A 15 -1.754 -1.149 8.399 1.00 0.00 N ATOM 208 CA ASN A 15 -1.125 -0.187 9.290 1.00 0.00 C ATOM 209 C ASN A 15 0.398 -0.313 9.284 1.00 0.00 C ATOM 210 O ASN A 15 1.104 0.676 9.476 1.00 0.00 O ATOM 211 CB ASN A 15 -1.680 -0.319 10.720 1.00 0.00 C ATOM 212 CG ASN A 15 -1.697 -1.745 11.247 1.00 0.00 C ATOM 213 OD1 ASN A 15 -0.855 -2.572 10.894 1.00 0.00 O ATOM 214 ND2 ASN A 15 -2.673 -2.049 12.090 1.00 0.00 N ATOM 0 H ASN A 15 -2.312 -1.861 8.870 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.369 0.807 8.916 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.081 0.298 11.390 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.695 0.078 10.743 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.744 -2.993 12.468 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.353 -1.339 12.360 1.00 0.00 H new ATOM 221 N LYS A 16 0.909 -1.517 9.052 1.00 0.00 N ATOM 222 CA LYS A 16 2.349 -1.736 9.097 1.00 0.00 C ATOM 223 C LYS A 16 3.031 -1.149 7.866 1.00 0.00 C ATOM 224 O LYS A 16 4.017 -0.412 7.975 1.00 0.00 O ATOM 225 CB LYS A 16 2.656 -3.232 9.217 1.00 0.00 C ATOM 226 CG LYS A 16 4.144 -3.566 9.232 1.00 0.00 C ATOM 227 CD LYS A 16 4.890 -2.847 10.350 1.00 0.00 C ATOM 228 CE LYS A 16 4.391 -3.252 11.729 1.00 0.00 C ATOM 229 NZ LYS A 16 5.145 -2.562 12.809 1.00 0.00 N ATOM 0 H LYS A 16 0.356 -2.346 8.834 1.00 0.00 H new ATOM 0 HA LYS A 16 2.743 -1.226 9.976 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.200 -3.613 10.131 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.186 -3.756 8.385 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.271 -4.642 9.348 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.584 -3.295 8.272 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.955 -3.066 10.273 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.776 -1.770 10.226 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.331 -3.015 11.817 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.488 -4.331 11.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.778 -2.862 13.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.153 -2.808 12.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.032 -1.533 12.709 1.00 0.00 H new ATOM 243 N ILE A 17 2.480 -1.444 6.700 1.00 0.00 N ATOM 244 CA ILE A 17 3.072 -0.987 5.455 1.00 0.00 C ATOM 245 C ILE A 17 2.829 0.500 5.231 1.00 0.00 C ATOM 246 O ILE A 17 3.717 1.217 4.780 1.00 0.00 O ATOM 247 CB ILE A 17 2.578 -1.794 4.237 1.00 0.00 C ATOM 248 CG1 ILE A 17 1.063 -1.994 4.248 1.00 0.00 C ATOM 249 CG2 ILE A 17 3.289 -3.133 4.171 1.00 0.00 C ATOM 250 CD1 ILE A 17 0.549 -2.665 2.992 1.00 0.00 C ATOM 0 H ILE A 17 1.629 -1.995 6.590 1.00 0.00 H new ATOM 0 HA ILE A 17 4.145 -1.154 5.551 1.00 0.00 H new ATOM 0 HB ILE A 17 2.818 -1.214 3.346 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.787 -2.595 5.114 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.575 -1.026 4.363 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.931 -3.693 3.307 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.363 -2.971 4.079 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.084 -3.699 5.080 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.533 -2.780 3.058 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.797 -2.053 2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.013 -3.646 2.888 1.00 0.00 H new ATOM 262 N ALA A 18 1.628 0.957 5.555 1.00 0.00 N ATOM 263 CA ALA A 18 1.288 2.372 5.432 1.00 0.00 C ATOM 264 C ALA A 18 2.227 3.238 6.258 1.00 0.00 C ATOM 265 O ALA A 18 2.791 4.213 5.762 1.00 0.00 O ATOM 266 CB ALA A 18 -0.139 2.610 5.876 1.00 0.00 C ATOM 0 H ALA A 18 0.871 0.370 5.905 1.00 0.00 H new ATOM 0 HA ALA A 18 1.394 2.648 4.383 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.378 3.669 5.779 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.816 2.026 5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.252 2.307 6.917 1.00 0.00 H new ATOM 272 N ALA A 19 2.411 2.861 7.516 1.00 0.00 N ATOM 273 CA ALA A 19 3.275 3.612 8.411 1.00 0.00 C ATOM 274 C ALA A 19 4.735 3.458 8.007 1.00 0.00 C ATOM 275 O ALA A 19 5.566 4.311 8.315 1.00 0.00 O ATOM 276 CB ALA A 19 3.066 3.170 9.851 1.00 0.00 C ATOM 0 H ALA A 19 1.974 2.041 7.937 1.00 0.00 H new ATOM 0 HA ALA A 19 3.012 4.667 8.335 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.722 3.743 10.506 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.028 3.340 10.137 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.299 2.109 9.943 1.00 0.00 H new ATOM 282 N GLN A 20 5.035 2.376 7.295 1.00 0.00 N ATOM 283 CA GLN A 20 6.399 2.102 6.854 1.00 0.00 C ATOM 284 C GLN A 20 6.928 3.213 5.942 1.00 0.00 C ATOM 285 O GLN A 20 8.084 3.620 6.060 1.00 0.00 O ATOM 286 CB GLN A 20 6.470 0.753 6.137 1.00 0.00 C ATOM 287 CG GLN A 20 7.869 0.378 5.667 1.00 0.00 C ATOM 288 CD GLN A 20 7.906 -0.966 4.967 1.00 0.00 C ATOM 289 OE1 GLN A 20 6.933 -1.380 4.341 1.00 0.00 O ATOM 290 NE2 GLN A 20 9.030 -1.655 5.062 1.00 0.00 N ATOM 0 H GLN A 20 4.352 1.674 7.011 1.00 0.00 H new ATOM 0 HA GLN A 20 7.031 2.066 7.741 1.00 0.00 H new ATOM 0 HB2 GLN A 20 6.102 -0.024 6.807 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.801 0.774 5.276 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.239 1.147 4.989 1.00 0.00 H new ATOM 0 HG3 GLN A 20 8.543 0.357 6.523 1.00 0.00 H new ATOM 0 HE21 GLN A 20 9.816 -1.278 5.591 1.00 0.00 H new ATOM 0 HE22 GLN A 20 9.111 -2.564 4.606 1.00 0.00 H new ATOM 299 N TYR A 21 6.093 3.701 5.030 1.00 0.00 N ATOM 300 CA TYR A 21 6.503 4.799 4.155 1.00 0.00 C ATOM 301 C TYR A 21 5.821 6.108 4.536 1.00 0.00 C ATOM 302 O TYR A 21 5.934 7.110 3.828 1.00 0.00 O ATOM 303 CB TYR A 21 6.271 4.473 2.670 1.00 0.00 C ATOM 304 CG TYR A 21 5.116 3.543 2.376 1.00 0.00 C ATOM 305 CD1 TYR A 21 3.800 3.908 2.634 1.00 0.00 C ATOM 306 CD2 TYR A 21 5.352 2.296 1.812 1.00 0.00 C ATOM 307 CE1 TYR A 21 2.756 3.052 2.336 1.00 0.00 C ATOM 308 CE2 TYR A 21 4.313 1.439 1.514 1.00 0.00 C ATOM 309 CZ TYR A 21 3.018 1.819 1.780 1.00 0.00 C ATOM 310 OH TYR A 21 1.979 0.970 1.481 1.00 0.00 O ATOM 0 H TYR A 21 5.143 3.362 4.877 1.00 0.00 H new ATOM 0 HA TYR A 21 7.576 4.926 4.298 1.00 0.00 H new ATOM 0 HB2 TYR A 21 6.107 5.407 2.133 1.00 0.00 H new ATOM 0 HB3 TYR A 21 7.182 4.030 2.268 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.590 4.872 3.073 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.367 1.992 1.603 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.738 3.349 2.539 1.00 0.00 H new ATOM 0 HE2 TYR A 21 4.515 0.474 1.074 1.00 0.00 H new ATOM 0 HH TYR A 21 2.334 0.142 1.094 1.00 0.00 H new ATOM 320 N GLY A 22 5.123 6.095 5.662 1.00 0.00 N ATOM 321 CA GLY A 22 4.568 7.318 6.207 1.00 0.00 C ATOM 322 C GLY A 22 3.341 7.814 5.467 1.00 0.00 C ATOM 323 O GLY A 22 3.255 8.993 5.125 1.00 0.00 O ATOM 0 H GLY A 22 4.930 5.257 6.210 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.309 7.154 7.253 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.333 8.094 6.186 1.00 0.00 H new ATOM 327 N VAL A 23 2.393 6.924 5.219 1.00 0.00 N ATOM 328 CA VAL A 23 1.130 7.306 4.604 1.00 0.00 C ATOM 329 C VAL A 23 -0.025 6.674 5.384 1.00 0.00 C ATOM 330 O VAL A 23 0.209 5.867 6.285 1.00 0.00 O ATOM 331 CB VAL A 23 1.081 6.894 3.111 1.00 0.00 C ATOM 332 CG1 VAL A 23 0.507 5.496 2.922 1.00 0.00 C ATOM 333 CG2 VAL A 23 0.327 7.929 2.290 1.00 0.00 C ATOM 0 H VAL A 23 2.474 5.930 5.434 1.00 0.00 H new ATOM 0 HA VAL A 23 1.036 8.391 4.640 1.00 0.00 H new ATOM 0 HB VAL A 23 2.107 6.859 2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.492 5.249 1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.126 4.773 3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.508 5.463 3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.305 7.619 1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.693 8.017 2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.828 8.894 2.372 1.00 0.00 H new ATOM 343 N SER A 24 -1.257 7.035 5.057 1.00 0.00 N ATOM 344 CA SER A 24 -2.404 6.539 5.796 1.00 0.00 C ATOM 345 C SER A 24 -3.050 5.339 5.095 1.00 0.00 C ATOM 346 O SER A 24 -3.063 5.220 3.852 1.00 0.00 O ATOM 347 CB SER A 24 -3.438 7.657 6.001 1.00 0.00 C ATOM 348 OG SER A 24 -4.521 7.218 6.807 1.00 0.00 O ATOM 0 H SER A 24 -1.486 7.666 4.289 1.00 0.00 H new ATOM 0 HA SER A 24 -2.048 6.204 6.770 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.959 8.517 6.469 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.814 7.989 5.033 1.00 0.00 H new ATOM 0 HG SER A 24 -5.162 7.951 6.921 1.00 0.00 H new ATOM 354 N VAL A 25 -3.584 4.451 5.914 1.00 0.00 N ATOM 355 CA VAL A 25 -4.310 3.294 5.439 1.00 0.00 C ATOM 356 C VAL A 25 -5.469 3.725 4.543 1.00 0.00 C ATOM 357 O VAL A 25 -5.773 3.069 3.549 1.00 0.00 O ATOM 358 CB VAL A 25 -4.853 2.471 6.628 1.00 0.00 C ATOM 359 CG1 VAL A 25 -5.676 1.289 6.149 1.00 0.00 C ATOM 360 CG2 VAL A 25 -3.715 2.004 7.523 1.00 0.00 C ATOM 0 H VAL A 25 -3.524 4.515 6.930 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.624 2.674 4.862 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.507 3.120 7.211 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.044 0.730 7.009 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.521 1.648 5.561 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.055 0.639 5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.119 1.426 8.354 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.031 1.381 6.947 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.178 2.870 7.910 1.00 0.00 H new ATOM 370 N ALA A 26 -6.085 4.850 4.890 1.00 0.00 N ATOM 371 CA ALA A 26 -7.247 5.351 4.168 1.00 0.00 C ATOM 372 C ALA A 26 -6.911 5.724 2.722 1.00 0.00 C ATOM 373 O ALA A 26 -7.649 5.370 1.804 1.00 0.00 O ATOM 374 CB ALA A 26 -7.849 6.544 4.897 1.00 0.00 C ATOM 0 H ALA A 26 -5.795 5.436 5.673 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.980 4.545 4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.716 6.907 4.346 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.156 6.242 5.898 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.106 7.339 4.970 1.00 0.00 H new ATOM 380 N ASN A 27 -5.804 6.437 2.506 1.00 0.00 N ATOM 381 CA ASN A 27 -5.433 6.828 1.147 1.00 0.00 C ATOM 382 C ASN A 27 -5.115 5.609 0.298 1.00 0.00 C ATOM 383 O ASN A 27 -5.605 5.499 -0.831 1.00 0.00 O ATOM 384 CB ASN A 27 -4.271 7.838 1.102 1.00 0.00 C ATOM 385 CG ASN A 27 -3.067 7.414 1.895 1.00 0.00 C ATOM 386 OD1 ASN A 27 -2.866 7.861 3.016 1.00 0.00 O ATOM 387 ND2 ASN A 27 -2.255 6.547 1.319 1.00 0.00 N ATOM 0 H ASN A 27 -5.163 6.749 3.236 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.302 7.335 0.729 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.975 7.991 0.064 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.622 8.799 1.478 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.422 6.224 1.811 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.461 6.200 0.382 1.00 0.00 H new ATOM 394 N LEU A 28 -4.325 4.668 0.820 1.00 0.00 N ATOM 395 CA LEU A 28 -4.038 3.477 0.030 1.00 0.00 C ATOM 396 C LEU A 28 -5.283 2.613 -0.120 1.00 0.00 C ATOM 397 O LEU A 28 -5.445 1.913 -1.117 1.00 0.00 O ATOM 398 CB LEU A 28 -2.805 2.693 0.508 1.00 0.00 C ATOM 399 CG LEU A 28 -2.702 2.338 1.985 1.00 0.00 C ATOM 400 CD1 LEU A 28 -3.469 1.057 2.292 1.00 0.00 C ATOM 401 CD2 LEU A 28 -1.233 2.190 2.346 1.00 0.00 C ATOM 0 H LEU A 28 -3.892 4.704 1.743 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.758 3.821 -0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.761 1.764 -0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.920 3.272 0.243 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.148 3.132 2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.380 0.825 3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.520 1.192 2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.056 0.236 1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.142 1.935 3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.788 1.399 1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.715 3.129 2.153 1.00 0.00 H new ATOM 413 N ARG A 29 -6.161 2.671 0.871 1.00 0.00 N ATOM 414 CA ARG A 29 -7.476 2.048 0.772 1.00 0.00 C ATOM 415 C ARG A 29 -8.209 2.544 -0.473 1.00 0.00 C ATOM 416 O ARG A 29 -8.826 1.766 -1.197 1.00 0.00 O ATOM 417 CB ARG A 29 -8.312 2.395 2.008 1.00 0.00 C ATOM 418 CG ARG A 29 -8.920 1.200 2.718 1.00 0.00 C ATOM 419 CD ARG A 29 -7.865 0.376 3.442 1.00 0.00 C ATOM 420 NE ARG A 29 -6.917 -0.260 2.523 1.00 0.00 N ATOM 421 CZ ARG A 29 -7.243 -1.232 1.673 1.00 0.00 C ATOM 422 NH1 ARG A 29 -8.467 -1.733 1.675 1.00 0.00 N ATOM 423 NH2 ARG A 29 -6.335 -1.713 0.834 1.00 0.00 N ATOM 0 H ARG A 29 -5.987 3.145 1.757 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.339 0.969 0.706 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.684 2.939 2.714 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.114 3.070 1.710 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.667 1.544 3.434 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.438 0.572 1.994 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.320 1.018 4.134 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.356 -0.392 4.040 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.949 0.061 2.535 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.164 -1.375 2.328 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.714 -2.477 1.023 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.386 -1.338 0.840 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.586 -2.457 0.183 1.00 0.00 H new ATOM 437 N SER A 30 -8.094 3.841 -0.727 1.00 0.00 N ATOM 438 CA SER A 30 -8.895 4.504 -1.742 1.00 0.00 C ATOM 439 C SER A 30 -8.415 4.209 -3.166 1.00 0.00 C ATOM 440 O SER A 30 -9.229 3.935 -4.046 1.00 0.00 O ATOM 441 CB SER A 30 -8.883 6.010 -1.495 1.00 0.00 C ATOM 442 OG SER A 30 -9.265 6.310 -0.161 1.00 0.00 O ATOM 0 H SER A 30 -7.446 4.458 -0.237 1.00 0.00 H new ATOM 0 HA SER A 30 -9.909 4.111 -1.661 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.886 6.406 -1.689 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.563 6.502 -2.191 1.00 0.00 H new ATOM 0 HG SER A 30 -8.546 6.050 0.452 1.00 0.00 H new ATOM 448 N TRP A 31 -7.106 4.250 -3.404 1.00 0.00 N ATOM 449 CA TRP A 31 -6.602 4.116 -4.774 1.00 0.00 C ATOM 450 C TRP A 31 -6.290 2.672 -5.162 1.00 0.00 C ATOM 451 O TRP A 31 -5.879 2.415 -6.293 1.00 0.00 O ATOM 452 CB TRP A 31 -5.379 5.007 -5.035 1.00 0.00 C ATOM 453 CG TRP A 31 -4.318 4.949 -3.983 1.00 0.00 C ATOM 454 CD1 TRP A 31 -3.765 3.832 -3.438 1.00 0.00 C ATOM 455 CD2 TRP A 31 -3.657 6.063 -3.368 1.00 0.00 C ATOM 456 NE1 TRP A 31 -2.804 4.180 -2.527 1.00 0.00 N ATOM 457 CE2 TRP A 31 -2.721 5.538 -2.463 1.00 0.00 C ATOM 458 CE3 TRP A 31 -3.761 7.450 -3.492 1.00 0.00 C ATOM 459 CZ2 TRP A 31 -1.899 6.343 -1.689 1.00 0.00 C ATOM 460 CZ3 TRP A 31 -2.941 8.249 -2.720 1.00 0.00 C ATOM 461 CH2 TRP A 31 -2.021 7.694 -1.830 1.00 0.00 C ATOM 0 H TRP A 31 -6.389 4.372 -2.689 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.420 4.457 -5.409 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -4.938 4.722 -5.990 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.715 6.039 -5.134 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -4.043 2.819 -3.687 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.240 3.527 -1.983 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.469 7.889 -4.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.187 5.915 -0.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -3.013 9.323 -2.807 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.393 8.347 -1.241 1.00 0.00 H new ATOM 472 N ASN A 32 -6.470 1.728 -4.245 1.00 0.00 N ATOM 473 CA ASN A 32 -6.208 0.328 -4.577 1.00 0.00 C ATOM 474 C ASN A 32 -7.482 -0.386 -5.012 1.00 0.00 C ATOM 475 O ASN A 32 -7.427 -1.363 -5.759 1.00 0.00 O ATOM 476 CB ASN A 32 -5.576 -0.414 -3.396 1.00 0.00 C ATOM 477 CG ASN A 32 -4.067 -0.295 -3.376 1.00 0.00 C ATOM 478 OD1 ASN A 32 -3.366 -1.086 -4.001 1.00 0.00 O ATOM 479 ND2 ASN A 32 -3.554 0.683 -2.649 1.00 0.00 N ATOM 0 H ASN A 32 -6.787 1.896 -3.290 1.00 0.00 H new ATOM 0 HA ASN A 32 -5.504 0.323 -5.409 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -5.981 -0.019 -2.464 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -5.853 -1.467 -3.442 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.542 0.800 -2.593 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -4.170 1.320 -2.144 1.00 0.00 H new ATOM 486 N GLY A 33 -8.627 0.127 -4.575 1.00 0.00 N ATOM 487 CA GLY A 33 -9.905 -0.435 -4.984 1.00 0.00 C ATOM 488 C GLY A 33 -10.125 -1.843 -4.467 1.00 0.00 C ATOM 489 O GLY A 33 -10.873 -2.621 -5.061 1.00 0.00 O ATOM 0 H GLY A 33 -8.695 0.925 -3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.710 0.207 -4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.962 -0.440 -6.073 1.00 0.00 H new ATOM 493 N ILE A 34 -9.462 -2.181 -3.371 1.00 0.00 N ATOM 494 CA ILE A 34 -9.602 -3.500 -2.768 1.00 0.00 C ATOM 495 C ILE A 34 -9.884 -3.408 -1.287 1.00 0.00 C ATOM 496 O ILE A 34 -9.641 -2.378 -0.658 1.00 0.00 O ATOM 497 CB ILE A 34 -8.347 -4.377 -2.922 1.00 0.00 C ATOM 498 CG1 ILE A 34 -7.127 -3.549 -3.321 1.00 0.00 C ATOM 499 CG2 ILE A 34 -8.605 -5.506 -3.899 1.00 0.00 C ATOM 500 CD1 ILE A 34 -5.818 -4.278 -3.117 1.00 0.00 C ATOM 0 H ILE A 34 -8.820 -1.559 -2.879 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.435 -3.955 -3.304 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.122 -4.819 -1.951 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.217 -3.264 -4.369 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.116 -2.627 -2.740 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.707 -6.116 -3.996 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.425 -6.123 -3.533 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.869 -5.092 -4.872 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.992 -3.634 -3.420 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.707 -4.540 -2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.810 -5.186 -3.719 1.00 0.00 H new ATOM 512 N SER A 35 -10.386 -4.499 -0.742 1.00 0.00 N ATOM 513 CA SER A 35 -10.472 -4.669 0.691 1.00 0.00 C ATOM 514 C SER A 35 -9.062 -4.807 1.277 1.00 0.00 C ATOM 515 O SER A 35 -8.092 -5.029 0.549 1.00 0.00 O ATOM 516 CB SER A 35 -11.326 -5.894 1.003 1.00 0.00 C ATOM 517 OG SER A 35 -12.629 -5.755 0.458 1.00 0.00 O ATOM 0 H SER A 35 -10.744 -5.288 -1.280 1.00 0.00 H new ATOM 0 HA SER A 35 -10.943 -3.798 1.146 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.851 -6.787 0.596 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.392 -6.031 2.082 1.00 0.00 H new ATOM 0 HG SER A 35 -13.158 -6.552 0.669 1.00 0.00 H new ATOM 523 N GLY A 36 -8.944 -4.649 2.581 1.00 0.00 N ATOM 524 CA GLY A 36 -7.635 -4.608 3.210 1.00 0.00 C ATOM 525 C GLY A 36 -7.220 -5.929 3.822 1.00 0.00 C ATOM 526 O GLY A 36 -6.159 -6.026 4.440 1.00 0.00 O ATOM 0 H GLY A 36 -9.731 -4.548 3.222 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.893 -4.311 2.469 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.636 -3.842 3.985 1.00 0.00 H new ATOM 530 N ASP A 37 -8.045 -6.947 3.650 1.00 0.00 N ATOM 531 CA ASP A 37 -7.742 -8.264 4.193 1.00 0.00 C ATOM 532 C ASP A 37 -6.753 -8.997 3.297 1.00 0.00 C ATOM 533 O ASP A 37 -5.964 -9.821 3.770 1.00 0.00 O ATOM 534 CB ASP A 37 -9.018 -9.097 4.350 1.00 0.00 C ATOM 535 CG ASP A 37 -9.678 -9.400 3.021 1.00 0.00 C ATOM 536 OD1 ASP A 37 -10.306 -8.486 2.449 1.00 0.00 O ATOM 537 OD2 ASP A 37 -9.574 -10.545 2.544 1.00 0.00 O ATOM 0 H ASP A 37 -8.927 -6.890 3.141 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.294 -8.125 5.177 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.778 -10.033 4.855 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.721 -8.562 4.988 1.00 0.00 H new ATOM 542 N LEU A 38 -6.786 -8.689 2.005 1.00 0.00 N ATOM 543 CA LEU A 38 -5.902 -9.339 1.049 1.00 0.00 C ATOM 544 C LEU A 38 -4.660 -8.493 0.782 1.00 0.00 C ATOM 545 O LEU A 38 -4.558 -7.795 -0.225 1.00 0.00 O ATOM 546 CB LEU A 38 -6.627 -9.674 -0.269 1.00 0.00 C ATOM 547 CG LEU A 38 -7.252 -8.495 -1.032 1.00 0.00 C ATOM 548 CD1 LEU A 38 -7.457 -8.862 -2.492 1.00 0.00 C ATOM 549 CD2 LEU A 38 -8.583 -8.088 -0.419 1.00 0.00 C ATOM 0 H LEU A 38 -7.414 -7.995 1.598 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.585 -10.280 1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.917 -10.170 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.416 -10.394 -0.050 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.565 -7.652 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.900 -8.018 -3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.496 -9.109 -2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.122 -9.723 -2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.001 -7.252 -0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.273 -8.931 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.430 -7.789 0.618 1.00 0.00 H new ATOM 561 N ILE A 39 -3.737 -8.527 1.725 1.00 0.00 N ATOM 562 CA ILE A 39 -2.422 -7.939 1.545 1.00 0.00 C ATOM 563 C ILE A 39 -1.374 -8.932 2.026 1.00 0.00 C ATOM 564 O ILE A 39 -1.408 -9.371 3.173 1.00 0.00 O ATOM 565 CB ILE A 39 -2.259 -6.586 2.290 1.00 0.00 C ATOM 566 CG1 ILE A 39 -3.048 -5.475 1.585 1.00 0.00 C ATOM 567 CG2 ILE A 39 -0.792 -6.203 2.402 1.00 0.00 C ATOM 568 CD1 ILE A 39 -2.622 -4.076 1.994 1.00 0.00 C ATOM 0 H ILE A 39 -3.877 -8.962 2.637 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.293 -7.724 0.484 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.661 -6.708 3.296 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.927 -5.582 0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.109 -5.601 1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.703 -5.252 2.927 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.256 -6.974 2.955 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.364 -6.108 1.404 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.222 -3.341 1.457 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.769 -3.950 3.067 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.569 -3.931 1.753 1.00 0.00 H new ATOM 580 N PHE A 40 -0.472 -9.313 1.135 1.00 0.00 N ATOM 581 CA PHE A 40 0.537 -10.308 1.457 1.00 0.00 C ATOM 582 C PHE A 40 1.868 -9.951 0.816 1.00 0.00 C ATOM 583 O PHE A 40 1.915 -9.165 -0.133 1.00 0.00 O ATOM 584 CB PHE A 40 0.082 -11.701 1.005 1.00 0.00 C ATOM 585 CG PHE A 40 -0.299 -11.786 -0.447 1.00 0.00 C ATOM 586 CD1 PHE A 40 0.656 -12.045 -1.417 1.00 0.00 C ATOM 587 CD2 PHE A 40 -1.617 -11.615 -0.840 1.00 0.00 C ATOM 588 CE1 PHE A 40 0.304 -12.128 -2.750 1.00 0.00 C ATOM 589 CE2 PHE A 40 -1.974 -11.696 -2.172 1.00 0.00 C ATOM 590 CZ PHE A 40 -1.013 -11.954 -3.128 1.00 0.00 C ATOM 0 H PHE A 40 -0.419 -8.948 0.184 1.00 0.00 H new ATOM 0 HA PHE A 40 0.670 -10.321 2.539 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.883 -12.414 1.201 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.771 -12.006 1.611 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.687 -12.184 -1.127 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -2.374 -11.416 -0.096 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.058 -12.329 -3.496 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -3.004 -11.558 -2.465 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.290 -12.020 -4.170 1.00 0.00 H new ATOM 600 N VAL A 41 2.939 -10.534 1.338 1.00 0.00 N ATOM 601 CA VAL A 41 4.284 -10.279 0.840 1.00 0.00 C ATOM 602 C VAL A 41 4.381 -10.588 -0.652 1.00 0.00 C ATOM 603 O VAL A 41 3.980 -11.663 -1.100 1.00 0.00 O ATOM 604 CB VAL A 41 5.336 -11.116 1.604 1.00 0.00 C ATOM 605 CG1 VAL A 41 6.743 -10.805 1.113 1.00 0.00 C ATOM 606 CG2 VAL A 41 5.229 -10.872 3.100 1.00 0.00 C ATOM 0 H VAL A 41 2.901 -11.194 2.115 1.00 0.00 H new ATOM 0 HA VAL A 41 4.491 -9.221 1.003 1.00 0.00 H new ATOM 0 HB VAL A 41 5.134 -12.169 1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.463 -11.407 1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.817 -11.037 0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.958 -9.748 1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.977 -11.470 3.621 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.398 -9.816 3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.234 -11.155 3.445 1.00 0.00 H new ATOM 616 N GLY A 42 4.901 -9.633 -1.416 1.00 0.00 N ATOM 617 CA GLY A 42 5.043 -9.831 -2.845 1.00 0.00 C ATOM 618 C GLY A 42 3.938 -9.169 -3.645 1.00 0.00 C ATOM 619 O GLY A 42 4.072 -8.984 -4.856 1.00 0.00 O ATOM 0 H GLY A 42 5.225 -8.729 -1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.006 -9.435 -3.168 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.050 -10.900 -3.060 1.00 0.00 H new ATOM 623 N GLN A 43 2.849 -8.810 -2.979 1.00 0.00 N ATOM 624 CA GLN A 43 1.731 -8.158 -3.649 1.00 0.00 C ATOM 625 C GLN A 43 2.059 -6.704 -3.962 1.00 0.00 C ATOM 626 O GLN A 43 2.645 -6.000 -3.140 1.00 0.00 O ATOM 627 CB GLN A 43 0.461 -8.241 -2.796 1.00 0.00 C ATOM 628 CG GLN A 43 -0.704 -7.437 -3.356 1.00 0.00 C ATOM 629 CD GLN A 43 -2.015 -7.746 -2.664 1.00 0.00 C ATOM 630 OE1 GLN A 43 -2.742 -8.650 -3.070 1.00 0.00 O ATOM 631 NE2 GLN A 43 -2.334 -6.991 -1.625 1.00 0.00 N ATOM 0 H GLN A 43 2.716 -8.958 -1.979 1.00 0.00 H new ATOM 0 HA GLN A 43 1.553 -8.683 -4.588 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.161 -9.285 -2.707 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.686 -7.887 -1.790 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.487 -6.373 -3.256 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.803 -7.643 -4.422 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.702 -6.251 -1.320 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.211 -7.150 -1.130 1.00 0.00 H new ATOM 640 N LYS A 44 1.685 -6.265 -5.149 1.00 0.00 N ATOM 641 CA LYS A 44 1.929 -4.898 -5.570 1.00 0.00 C ATOM 642 C LYS A 44 0.695 -4.043 -5.294 1.00 0.00 C ATOM 643 O LYS A 44 -0.318 -4.176 -5.983 1.00 0.00 O ATOM 644 CB LYS A 44 2.246 -4.861 -7.068 1.00 0.00 C ATOM 645 CG LYS A 44 2.940 -3.588 -7.519 1.00 0.00 C ATOM 646 CD LYS A 44 4.435 -3.637 -7.237 1.00 0.00 C ATOM 647 CE LYS A 44 5.221 -4.212 -8.413 1.00 0.00 C ATOM 648 NZ LYS A 44 4.757 -5.569 -8.821 1.00 0.00 N ATOM 0 H LYS A 44 1.208 -6.840 -5.843 1.00 0.00 H new ATOM 0 HA LYS A 44 2.777 -4.504 -5.011 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.876 -5.715 -7.317 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.318 -4.976 -7.629 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.775 -3.441 -8.586 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.500 -2.732 -7.007 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.795 -2.632 -7.017 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.617 -4.242 -6.349 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.137 -3.535 -9.263 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.277 -4.261 -8.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.391 -5.947 -9.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.765 -6.201 -7.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.790 -5.506 -9.199 1.00 0.00 H new ATOM 662 N LEU A 45 0.767 -3.171 -4.297 1.00 0.00 N ATOM 663 CA LEU A 45 -0.361 -2.302 -3.987 1.00 0.00 C ATOM 664 C LEU A 45 0.041 -0.836 -4.196 1.00 0.00 C ATOM 665 O LEU A 45 1.212 -0.476 -4.025 1.00 0.00 O ATOM 666 CB LEU A 45 -0.938 -2.604 -2.567 1.00 0.00 C ATOM 667 CG LEU A 45 -0.193 -2.102 -1.316 1.00 0.00 C ATOM 668 CD1 LEU A 45 1.271 -2.474 -1.355 1.00 0.00 C ATOM 669 CD2 LEU A 45 -0.382 -0.605 -1.107 1.00 0.00 C ATOM 0 H LEU A 45 1.582 -3.047 -3.697 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.181 -2.506 -4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.947 -2.193 -2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.032 -3.686 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.636 -2.605 -0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.765 -2.104 -0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.370 -3.558 -1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.736 -2.029 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.159 -0.291 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.002 -0.065 -1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.443 -0.386 -0.984 1.00 0.00 H new ATOM 681 N ILE A 46 -0.918 -0.011 -4.619 1.00 0.00 N ATOM 682 CA ILE A 46 -0.649 1.386 -4.969 1.00 0.00 C ATOM 683 C ILE A 46 -0.332 2.216 -3.729 1.00 0.00 C ATOM 684 O ILE A 46 -0.988 2.085 -2.693 1.00 0.00 O ATOM 685 CB ILE A 46 -1.839 2.080 -5.706 1.00 0.00 C ATOM 686 CG1 ILE A 46 -2.147 1.453 -7.072 1.00 0.00 C ATOM 687 CG2 ILE A 46 -1.548 3.567 -5.909 1.00 0.00 C ATOM 688 CD1 ILE A 46 -2.739 0.062 -7.018 1.00 0.00 C ATOM 0 H ILE A 46 -1.894 -0.288 -4.728 1.00 0.00 H new ATOM 0 HA ILE A 46 0.207 1.346 -5.642 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.711 1.941 -5.066 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.838 2.105 -7.607 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.226 1.417 -7.655 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.387 4.035 -6.424 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.404 4.045 -4.940 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.645 3.683 -6.508 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.922 -0.295 -8.031 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.043 -0.610 -6.516 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.679 0.088 -6.468 1.00 0.00 H new ATOM 700 N VAL A 47 0.664 3.074 -3.854 1.00 0.00 N ATOM 701 CA VAL A 47 0.973 4.059 -2.840 1.00 0.00 C ATOM 702 C VAL A 47 1.623 5.278 -3.500 1.00 0.00 C ATOM 703 O VAL A 47 2.581 5.167 -4.259 1.00 0.00 O ATOM 704 CB VAL A 47 1.883 3.488 -1.726 1.00 0.00 C ATOM 705 CG1 VAL A 47 3.214 2.996 -2.276 1.00 0.00 C ATOM 706 CG2 VAL A 47 2.092 4.524 -0.632 1.00 0.00 C ATOM 0 H VAL A 47 1.282 3.105 -4.665 1.00 0.00 H new ATOM 0 HA VAL A 47 0.041 4.355 -2.359 1.00 0.00 H new ATOM 0 HB VAL A 47 1.378 2.623 -1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.822 2.603 -1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.036 2.208 -3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.739 3.824 -2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.734 4.108 0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.563 5.411 -1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.129 4.796 -0.200 1.00 0.00 H new ATOM 716 N LYS A 48 1.054 6.436 -3.277 1.00 0.00 N ATOM 717 CA LYS A 48 1.648 7.665 -3.784 1.00 0.00 C ATOM 718 C LYS A 48 1.527 8.798 -2.775 1.00 0.00 C ATOM 719 O LYS A 48 0.433 9.184 -2.369 1.00 0.00 O ATOM 720 CB LYS A 48 1.044 8.051 -5.139 1.00 0.00 C ATOM 721 CG LYS A 48 -0.463 8.237 -5.126 1.00 0.00 C ATOM 722 CD LYS A 48 -1.011 8.476 -6.522 1.00 0.00 C ATOM 723 CE LYS A 48 -2.510 8.726 -6.502 1.00 0.00 C ATOM 724 NZ LYS A 48 -2.848 10.047 -5.907 1.00 0.00 N ATOM 0 H LYS A 48 0.188 6.562 -2.753 1.00 0.00 H new ATOM 0 HA LYS A 48 2.711 7.481 -3.937 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.509 8.976 -5.479 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.296 7.281 -5.868 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.935 7.354 -4.696 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.720 9.080 -4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.505 9.331 -6.970 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.794 7.612 -7.151 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.899 8.676 -7.519 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.001 7.936 -5.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.773 9.989 -5.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.121 10.311 -5.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.886 10.766 -6.657 1.00 0.00 H new ATOM 738 N LYS A 49 2.671 9.310 -2.363 1.00 0.00 N ATOM 739 CA LYS A 49 2.724 10.394 -1.393 1.00 0.00 C ATOM 740 C LYS A 49 2.337 11.726 -2.033 1.00 0.00 C ATOM 741 O LYS A 49 2.406 11.881 -3.254 1.00 0.00 O ATOM 742 CB LYS A 49 4.121 10.471 -0.752 1.00 0.00 C ATOM 743 CG LYS A 49 5.280 10.200 -1.715 1.00 0.00 C ATOM 744 CD LYS A 49 5.476 11.321 -2.726 1.00 0.00 C ATOM 745 CE LYS A 49 5.934 12.610 -2.066 1.00 0.00 C ATOM 746 NZ LYS A 49 7.326 12.513 -1.548 1.00 0.00 N ATOM 0 H LYS A 49 3.584 8.991 -2.686 1.00 0.00 H new ATOM 0 HA LYS A 49 1.998 10.186 -0.607 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.252 11.461 -0.316 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.171 9.753 0.067 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.199 10.067 -1.144 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.096 9.266 -2.245 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.211 11.014 -3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.540 11.498 -3.257 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.872 13.426 -2.785 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.259 12.856 -1.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.644 13.451 -1.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.353 11.848 -0.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.955 12.173 -2.303 1.00 0.00 H new ATOM 760 N GLY A 50 1.914 12.671 -1.203 1.00 0.00 N ATOM 761 CA GLY A 50 1.566 13.992 -1.691 1.00 0.00 C ATOM 762 C GLY A 50 0.291 13.990 -2.507 1.00 0.00 C ATOM 763 O GLY A 50 0.223 14.607 -3.567 1.00 0.00 O ATOM 0 H GLY A 50 1.805 12.546 -0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.451 14.670 -0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.383 14.378 -2.300 1.00 0.00 H new ATOM 767 N SER A 51 -0.718 13.284 -2.023 1.00 0.00 N ATOM 768 CA SER A 51 -2.008 13.256 -2.686 1.00 0.00 C ATOM 769 C SER A 51 -3.048 13.966 -1.828 1.00 0.00 C ATOM 770 O SER A 51 -3.325 15.153 -2.089 1.00 0.00 O ATOM 771 CB SER A 51 -2.435 11.813 -2.961 1.00 0.00 C ATOM 772 OG SER A 51 -1.477 11.142 -3.768 1.00 0.00 O ATOM 0 H SER A 51 -0.667 12.723 -1.173 1.00 0.00 H new ATOM 0 HA SER A 51 -1.926 13.776 -3.640 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.558 11.281 -2.018 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.404 11.806 -3.460 1.00 0.00 H new ATOM 0 HG SER A 51 -0.852 10.652 -3.194 1.00 0.00 H new TER 778 SER A 51