USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 557 hydrogens (12 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 Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -119:sc= 0.653 (180deg=-0.519) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -162:sc= 0 (180deg=-0.236) USER MOD Single : A 106 LYS NZ :NH3+ 167:sc= 1.07 (180deg=0.95) USER MOD Single : A 107 ASN : amide:sc= 0.101 X(o=0.1,f=-0.015) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -178:sc= 0.869 (180deg=0.865) USER MOD Single : A 120 MET CE :methyl -106:sc= -2.54! (180deg=-4.24!) USER MOD Single : A 122 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.3!) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : A 129 THR OG1 : rot 94:sc= 0.905 USER MOD Single : A 137 MET CE :methyl -119:sc= -2.17 (180deg=-7.58!) USER MOD Single : A 138 LYS NZ :NH3+ 158:sc= 0.608 (180deg=-0.282) USER MOD Single : A 142 LYS NZ :NH3+ -165:sc= 0.205 (180deg=0.0473) USER MOD Single : A 143 ASN :FLIP amide:sc= -0.0117 F(o=-1.6!,f=-0.012) USER MOD Single : A 144 ASN : amide:sc= 0.273 X(o=0.27,f=0) USER MOD Single : A 150 TYR OH : rot 180:sc= -0.0729 USER MOD Single : A 157 MET CE :methyl -156:sc= -2.16 (180deg=-5.48!) USER MOD Single : A 158 LYS NZ :NH3+ -163:sc= 0.984 (180deg=0.756) USER MOD Single : A 162 STL O1 : rot 121:sc= -4.88! USER MOD Single : A 162 STL O2 : rot 160:sc= 0.247 USER MOD Single : A 162 STL O3 : rot 130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 90 12.365 6.285 1.142 1.00 2.87 N ATOM 2 CA MET A 90 12.189 6.075 -0.330 1.00 2.20 C ATOM 3 C MET A 90 10.701 6.128 -0.736 1.00 1.76 C ATOM 4 O MET A 90 10.336 5.675 -1.804 1.00 2.23 O ATOM 5 CB MET A 90 12.781 4.683 -0.609 1.00 2.68 C ATOM 6 CG MET A 90 11.938 3.599 0.076 1.00 3.11 C ATOM 7 SD MET A 90 12.988 2.634 1.192 1.00 4.08 S ATOM 8 CE MET A 90 13.432 1.337 0.012 1.00 4.71 C ATOM 0 HA MET A 90 12.683 6.857 -0.907 1.00 2.20 H new ATOM 0 HB2 MET A 90 12.814 4.503 -1.684 1.00 2.68 H new ATOM 0 HB3 MET A 90 13.808 4.638 -0.247 1.00 2.68 H new ATOM 0 HG2 MET A 90 11.121 4.057 0.633 1.00 3.11 H new ATOM 0 HG3 MET A 90 11.488 2.947 -0.672 1.00 3.11 H new ATOM 0 HE1 MET A 90 14.090 0.615 0.495 1.00 4.71 H new ATOM 0 HE2 MET A 90 12.529 0.832 -0.330 1.00 4.71 H new ATOM 0 HE3 MET A 90 13.945 1.781 -0.841 1.00 4.71 H new ATOM 20 N GLY A 91 9.844 6.681 0.095 1.00 1.61 N ATOM 21 CA GLY A 91 8.392 6.757 -0.260 1.00 1.31 C ATOM 22 C GLY A 91 7.764 5.363 -0.155 1.00 1.37 C ATOM 23 O GLY A 91 7.906 4.545 -1.043 1.00 1.61 O ATOM 0 H GLY A 91 10.089 7.081 1.001 1.00 1.61 H new ATOM 0 HA2 GLY A 91 7.880 7.449 0.408 1.00 1.31 H new ATOM 0 HA3 GLY A 91 8.274 7.145 -1.272 1.00 1.31 H new ATOM 27 N LYS A 92 7.076 5.082 0.925 1.00 1.27 N ATOM 28 CA LYS A 92 6.447 3.732 1.086 1.00 1.47 C ATOM 29 C LYS A 92 4.980 3.863 1.529 1.00 1.40 C ATOM 30 O LYS A 92 4.076 3.808 0.715 1.00 1.56 O ATOM 31 CB LYS A 92 7.284 3.031 2.162 1.00 1.61 C ATOM 32 CG LYS A 92 8.424 2.243 1.506 1.00 1.94 C ATOM 33 CD LYS A 92 9.706 2.412 2.328 1.00 2.31 C ATOM 34 CE LYS A 92 9.464 1.972 3.779 1.00 2.59 C ATOM 35 NZ LYS A 92 9.632 3.206 4.604 1.00 3.20 N1+ ATOM 0 H LYS A 92 6.923 5.727 1.700 1.00 1.27 H new ATOM 0 HA LYS A 92 6.434 3.172 0.151 1.00 1.47 H new ATOM 0 HB2 LYS A 92 7.691 3.767 2.855 1.00 1.61 H new ATOM 0 HB3 LYS A 92 6.654 2.359 2.745 1.00 1.61 H new ATOM 0 HG2 LYS A 92 8.159 1.188 1.440 1.00 1.94 H new ATOM 0 HG3 LYS A 92 8.584 2.596 0.487 1.00 1.94 H new ATOM 0 HD2 LYS A 92 10.509 1.820 1.889 1.00 2.31 H new ATOM 0 HD3 LYS A 92 10.028 3.453 2.304 1.00 2.31 H new ATOM 0 HE2 LYS A 92 8.466 1.552 3.900 1.00 2.59 H new ATOM 0 HE3 LYS A 92 10.173 1.200 4.078 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 10.414 3.070 5.276 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 9.845 4.012 3.983 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 8.754 3.395 5.128 1.00 3.20 H new ATOM 49 N SER A 93 4.734 4.031 2.808 1.00 1.38 N ATOM 50 CA SER A 93 3.325 4.158 3.295 1.00 1.40 C ATOM 51 C SER A 93 3.188 5.373 4.225 1.00 1.20 C ATOM 52 O SER A 93 4.082 6.193 4.323 1.00 1.08 O ATOM 53 CB SER A 93 3.043 2.853 4.046 1.00 1.60 C ATOM 54 OG SER A 93 1.904 2.219 3.475 1.00 2.20 O ATOM 0 H SER A 93 5.449 4.085 3.534 1.00 1.38 H new ATOM 0 HA SER A 93 2.618 4.312 2.480 1.00 1.40 H new ATOM 0 HB2 SER A 93 3.908 2.193 3.989 1.00 1.60 H new ATOM 0 HB3 SER A 93 2.868 3.058 5.102 1.00 1.60 H new ATOM 0 HG SER A 93 1.722 1.383 3.952 1.00 2.20 H new ATOM 60 N GLU A 94 2.069 5.501 4.896 1.00 1.26 N ATOM 61 CA GLU A 94 1.850 6.677 5.808 1.00 1.17 C ATOM 62 C GLU A 94 2.941 6.809 6.885 1.00 1.12 C ATOM 63 O GLU A 94 3.043 7.836 7.529 1.00 1.09 O ATOM 64 CB GLU A 94 0.492 6.430 6.461 1.00 1.33 C ATOM 65 CG GLU A 94 -0.614 6.859 5.497 1.00 1.28 C ATOM 66 CD GLU A 94 -1.200 5.625 4.812 1.00 1.44 C ATOM 67 OE1 GLU A 94 -2.020 4.964 5.426 1.00 1.94 O ATOM 68 OE2 GLU A 94 -0.817 5.362 3.685 1.00 2.09 O ATOM 0 H GLU A 94 1.293 4.841 4.854 1.00 1.26 H new ATOM 0 HA GLU A 94 1.888 7.608 5.242 1.00 1.17 H new ATOM 0 HB2 GLU A 94 0.383 5.375 6.713 1.00 1.33 H new ATOM 0 HB3 GLU A 94 0.416 6.990 7.393 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -1.395 7.393 6.038 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -0.215 7.547 4.752 1.00 1.28 H new ATOM 75 N GLU A 95 3.762 5.806 7.085 1.00 1.19 N ATOM 76 CA GLU A 95 4.843 5.933 8.121 1.00 1.23 C ATOM 77 C GLU A 95 5.928 6.876 7.592 1.00 1.03 C ATOM 78 O GLU A 95 6.433 7.725 8.302 1.00 1.01 O ATOM 79 CB GLU A 95 5.456 4.531 8.362 1.00 1.45 C ATOM 80 CG GLU A 95 4.496 3.397 7.961 1.00 1.90 C ATOM 81 CD GLU A 95 4.942 2.787 6.623 1.00 2.12 C ATOM 82 OE1 GLU A 95 5.395 3.532 5.765 1.00 2.49 O ATOM 83 OE2 GLU A 95 4.821 1.583 6.479 1.00 2.66 O ATOM 0 H GLU A 95 3.735 4.917 6.586 1.00 1.19 H new ATOM 0 HA GLU A 95 4.436 6.329 9.051 1.00 1.23 H new ATOM 0 HB2 GLU A 95 6.381 4.439 7.793 1.00 1.45 H new ATOM 0 HB3 GLU A 95 5.717 4.427 9.415 1.00 1.45 H new ATOM 0 HG2 GLU A 95 4.482 2.629 8.735 1.00 1.90 H new ATOM 0 HG3 GLU A 95 3.480 3.782 7.875 1.00 1.90 H new ATOM 90 N GLU A 96 6.284 6.723 6.340 1.00 1.02 N ATOM 91 CA GLU A 96 7.336 7.588 5.727 1.00 0.94 C ATOM 92 C GLU A 96 6.703 8.765 4.963 1.00 0.79 C ATOM 93 O GLU A 96 7.218 9.866 4.975 1.00 0.82 O ATOM 94 CB GLU A 96 8.072 6.658 4.762 1.00 1.15 C ATOM 95 CG GLU A 96 9.582 6.875 4.882 1.00 1.62 C ATOM 96 CD GLU A 96 10.229 6.690 3.511 1.00 1.99 C ATOM 97 OE1 GLU A 96 10.424 5.552 3.117 1.00 2.78 O ATOM 98 OE2 GLU A 96 10.515 7.688 2.873 1.00 2.18 O ATOM 0 H GLU A 96 5.885 6.027 5.711 1.00 1.02 H new ATOM 0 HA GLU A 96 7.997 8.028 6.474 1.00 0.94 H new ATOM 0 HB2 GLU A 96 7.826 5.620 4.985 1.00 1.15 H new ATOM 0 HB3 GLU A 96 7.748 6.850 3.739 1.00 1.15 H new ATOM 0 HG2 GLU A 96 9.788 7.876 5.262 1.00 1.62 H new ATOM 0 HG3 GLU A 96 10.007 6.169 5.596 1.00 1.62 H new ATOM 105 N LEU A 97 5.596 8.533 4.292 1.00 0.77 N ATOM 106 CA LEU A 97 4.932 9.633 3.512 1.00 0.71 C ATOM 107 C LEU A 97 4.484 10.770 4.442 1.00 0.67 C ATOM 108 O LEU A 97 4.568 11.933 4.094 1.00 0.75 O ATOM 109 CB LEU A 97 3.712 8.992 2.831 1.00 0.80 C ATOM 110 CG LEU A 97 4.149 7.839 1.919 1.00 0.77 C ATOM 111 CD1 LEU A 97 2.958 7.373 1.082 1.00 1.40 C ATOM 112 CD2 LEU A 97 5.270 8.306 0.986 1.00 1.22 C ATOM 0 H LEU A 97 5.123 7.630 4.250 1.00 0.77 H new ATOM 0 HA LEU A 97 5.618 10.068 2.786 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.019 8.623 3.587 1.00 0.80 H new ATOM 0 HB3 LEU A 97 3.178 9.742 2.248 1.00 0.80 H new ATOM 0 HG LEU A 97 4.513 7.016 2.534 1.00 0.77 H new ATOM 0 HD11 LEU A 97 3.268 6.553 0.433 1.00 1.40 H new ATOM 0 HD12 LEU A 97 2.161 7.032 1.742 1.00 1.40 H new ATOM 0 HD13 LEU A 97 2.595 8.201 0.473 1.00 1.40 H new ATOM 0 HD21 LEU A 97 5.574 7.481 0.342 1.00 1.22 H new ATOM 0 HD22 LEU A 97 4.912 9.133 0.372 1.00 1.22 H new ATOM 0 HD23 LEU A 97 6.123 8.637 1.579 1.00 1.22 H new ATOM 124 N SER A 98 4.011 10.441 5.621 1.00 0.69 N ATOM 125 CA SER A 98 3.559 11.498 6.584 1.00 0.76 C ATOM 126 C SER A 98 4.678 12.529 6.808 1.00 0.72 C ATOM 127 O SER A 98 4.443 13.722 6.787 1.00 0.77 O ATOM 128 CB SER A 98 3.248 10.743 7.877 1.00 0.92 C ATOM 129 OG SER A 98 2.996 11.675 8.921 1.00 1.57 O ATOM 0 H SER A 98 3.918 9.483 5.959 1.00 0.69 H new ATOM 0 HA SER A 98 2.694 12.051 6.218 1.00 0.76 H new ATOM 0 HB2 SER A 98 2.381 10.097 7.734 1.00 0.92 H new ATOM 0 HB3 SER A 98 4.085 10.098 8.145 1.00 0.92 H new ATOM 0 HG SER A 98 2.795 11.192 9.750 1.00 1.57 H new ATOM 135 N ASP A 99 5.890 12.072 7.009 1.00 0.80 N ATOM 136 CA ASP A 99 7.032 13.015 7.224 1.00 0.86 C ATOM 137 C ASP A 99 7.467 13.649 5.893 1.00 0.81 C ATOM 138 O ASP A 99 7.760 14.827 5.828 1.00 0.91 O ATOM 139 CB ASP A 99 8.156 12.149 7.800 1.00 1.02 C ATOM 140 CG ASP A 99 9.303 13.044 8.270 1.00 1.23 C ATOM 141 OD1 ASP A 99 9.186 13.606 9.345 1.00 1.79 O ATOM 142 OD2 ASP A 99 10.277 13.152 7.547 1.00 1.83 O ATOM 0 H ASP A 99 6.138 11.083 7.033 1.00 0.80 H new ATOM 0 HA ASP A 99 6.766 13.837 7.889 1.00 0.86 H new ATOM 0 HB2 ASP A 99 7.780 11.555 8.633 1.00 1.02 H new ATOM 0 HB3 ASP A 99 8.513 11.449 7.044 1.00 1.02 H new ATOM 147 N LEU A 100 7.515 12.875 4.834 1.00 0.75 N ATOM 148 CA LEU A 100 7.934 13.424 3.502 1.00 0.76 C ATOM 149 C LEU A 100 7.048 14.614 3.093 1.00 0.68 C ATOM 150 O LEU A 100 7.529 15.601 2.578 1.00 0.79 O ATOM 151 CB LEU A 100 7.755 12.260 2.520 1.00 0.86 C ATOM 152 CG LEU A 100 8.668 12.450 1.303 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.299 11.106 0.925 1.00 1.41 C ATOM 154 CD2 LEU A 100 7.846 12.974 0.123 1.00 1.41 C ATOM 0 H LEU A 100 7.281 11.882 4.834 1.00 0.75 H new ATOM 0 HA LEU A 100 8.959 13.795 3.521 1.00 0.76 H new ATOM 0 HB2 LEU A 100 7.988 11.317 3.015 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.715 12.202 2.198 1.00 0.86 H new ATOM 0 HG LEU A 100 9.452 13.167 1.547 1.00 0.79 H new ATOM 0 HD11 LEU A 100 9.948 11.239 0.060 1.00 1.41 H new ATOM 0 HD12 LEU A 100 9.885 10.730 1.764 1.00 1.41 H new ATOM 0 HD13 LEU A 100 8.513 10.391 0.682 1.00 1.41 H new ATOM 0 HD21 LEU A 100 8.496 13.109 -0.742 1.00 1.41 H new ATOM 0 HD22 LEU A 100 7.062 12.257 -0.121 1.00 1.41 H new ATOM 0 HD23 LEU A 100 7.394 13.929 0.390 1.00 1.41 H new ATOM 166 N PHE A 101 5.759 14.525 3.304 1.00 0.60 N ATOM 167 CA PHE A 101 4.852 15.651 2.905 1.00 0.59 C ATOM 168 C PHE A 101 4.864 16.791 3.941 1.00 0.60 C ATOM 169 O PHE A 101 4.853 17.954 3.584 1.00 0.72 O ATOM 170 CB PHE A 101 3.454 15.024 2.825 1.00 0.61 C ATOM 171 CG PHE A 101 2.471 16.042 2.289 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.408 16.299 0.915 1.00 0.68 C ATOM 173 CD2 PHE A 101 1.625 16.730 3.168 1.00 0.86 C ATOM 174 CE1 PHE A 101 1.500 17.243 0.419 1.00 0.73 C ATOM 175 CE2 PHE A 101 0.717 17.674 2.671 1.00 0.90 C ATOM 176 CZ PHE A 101 0.655 17.930 1.297 1.00 0.69 C ATOM 0 H PHE A 101 5.294 13.725 3.734 1.00 0.60 H new ATOM 0 HA PHE A 101 5.170 16.097 1.962 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.474 14.147 2.178 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.140 14.685 3.812 1.00 0.61 H new ATOM 0 HD1 PHE A 101 3.060 15.769 0.236 1.00 0.68 H new ATOM 0 HD2 PHE A 101 1.673 16.533 4.229 1.00 0.86 H new ATOM 0 HE1 PHE A 101 1.452 17.441 -0.642 1.00 0.73 H new ATOM 0 HE2 PHE A 101 0.065 18.204 3.349 1.00 0.90 H new ATOM 0 HZ PHE A 101 -0.045 18.658 0.914 1.00 0.69 H new ATOM 186 N ARG A 102 4.853 16.470 5.212 1.00 0.67 N ATOM 187 CA ARG A 102 4.822 17.542 6.265 1.00 0.76 C ATOM 188 C ARG A 102 6.173 18.273 6.407 1.00 0.68 C ATOM 189 O ARG A 102 6.216 19.416 6.823 1.00 0.78 O ATOM 190 CB ARG A 102 4.462 16.805 7.567 1.00 0.99 C ATOM 191 CG ARG A 102 5.735 16.329 8.284 1.00 1.30 C ATOM 192 CD ARG A 102 5.369 15.322 9.378 1.00 1.45 C ATOM 193 NE ARG A 102 6.664 14.976 10.037 1.00 2.12 N ATOM 194 CZ ARG A 102 6.669 14.437 11.223 1.00 2.71 C ATOM 195 NH1 ARG A 102 6.228 15.111 12.247 1.00 3.37 N1+ ATOM 196 NH2 ARG A 102 7.115 13.223 11.384 1.00 3.07 N ATOM 0 H ARG A 102 4.864 15.514 5.569 1.00 0.67 H new ATOM 0 HA ARG A 102 4.104 18.321 6.008 1.00 0.76 H new ATOM 0 HB2 ARG A 102 3.894 17.466 8.221 1.00 0.99 H new ATOM 0 HB3 ARG A 102 3.822 15.951 7.344 1.00 0.99 H new ATOM 0 HG2 ARG A 102 6.417 15.870 7.568 1.00 1.30 H new ATOM 0 HG3 ARG A 102 6.257 17.180 8.721 1.00 1.30 H new ATOM 0 HD2 ARG A 102 4.666 15.753 10.091 1.00 1.45 H new ATOM 0 HD3 ARG A 102 4.893 14.437 8.956 1.00 1.45 H new ATOM 0 HE ARG A 102 7.545 15.162 9.558 1.00 2.12 H new ATOM 0 HH11 ARG A 102 5.879 16.061 12.120 1.00 3.37 H new ATOM 0 HH12 ARG A 102 6.232 14.689 13.175 1.00 3.37 H new ATOM 0 HH21 ARG A 102 7.460 12.696 10.582 1.00 3.07 H new ATOM 0 HH22 ARG A 102 7.119 12.800 12.312 1.00 3.07 H new ATOM 210 N MET A 103 7.268 17.625 6.099 1.00 0.71 N ATOM 211 CA MET A 103 8.603 18.290 6.256 1.00 0.75 C ATOM 212 C MET A 103 9.076 18.955 4.949 1.00 0.68 C ATOM 213 O MET A 103 10.092 19.624 4.932 1.00 0.83 O ATOM 214 CB MET A 103 9.555 17.157 6.657 1.00 0.93 C ATOM 215 CG MET A 103 10.729 17.724 7.462 1.00 1.27 C ATOM 216 SD MET A 103 10.200 18.049 9.166 1.00 1.82 S ATOM 217 CE MET A 103 10.877 16.544 9.913 1.00 2.43 C ATOM 0 H MET A 103 7.298 16.668 5.747 1.00 0.71 H new ATOM 0 HA MET A 103 8.563 19.091 6.994 1.00 0.75 H new ATOM 0 HB2 MET A 103 9.021 16.414 7.250 1.00 0.93 H new ATOM 0 HB3 MET A 103 9.925 16.649 5.767 1.00 0.93 H new ATOM 0 HG2 MET A 103 11.560 17.019 7.457 1.00 1.27 H new ATOM 0 HG3 MET A 103 11.088 18.644 7.001 1.00 1.27 H new ATOM 0 HE1 MET A 103 10.404 16.373 10.880 1.00 2.43 H new ATOM 0 HE2 MET A 103 10.683 15.694 9.259 1.00 2.43 H new ATOM 0 HE3 MET A 103 11.952 16.658 10.050 1.00 2.43 H new ATOM 227 N PHE A 104 8.374 18.772 3.856 1.00 0.68 N ATOM 228 CA PHE A 104 8.830 19.389 2.568 1.00 0.79 C ATOM 229 C PHE A 104 8.020 20.642 2.197 1.00 0.71 C ATOM 230 O PHE A 104 8.279 21.257 1.180 1.00 0.88 O ATOM 231 CB PHE A 104 8.620 18.301 1.520 1.00 0.94 C ATOM 232 CG PHE A 104 9.689 17.232 1.633 1.00 1.31 C ATOM 233 CD1 PHE A 104 10.710 17.329 2.592 1.00 1.26 C ATOM 234 CD2 PHE A 104 9.648 16.134 0.772 1.00 2.03 C ATOM 235 CE1 PHE A 104 11.682 16.327 2.687 1.00 1.86 C ATOM 236 CE2 PHE A 104 10.621 15.133 0.866 1.00 2.65 C ATOM 237 CZ PHE A 104 11.638 15.229 1.822 1.00 2.56 C ATOM 0 H PHE A 104 7.513 18.228 3.799 1.00 0.68 H new ATOM 0 HA PHE A 104 9.866 19.720 2.642 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.635 17.852 1.648 1.00 0.94 H new ATOM 0 HB3 PHE A 104 8.643 18.741 0.523 1.00 0.94 H new ATOM 0 HD1 PHE A 104 10.745 18.179 3.258 1.00 1.26 H new ATOM 0 HD2 PHE A 104 8.865 16.057 0.033 1.00 2.03 H new ATOM 0 HE1 PHE A 104 12.465 16.401 3.427 1.00 1.86 H new ATOM 0 HE2 PHE A 104 10.587 14.284 0.199 1.00 2.65 H new ATOM 0 HZ PHE A 104 12.389 14.456 1.892 1.00 2.56 H new ATOM 247 N ASP A 105 7.046 21.026 2.987 1.00 0.61 N ATOM 248 CA ASP A 105 6.243 22.241 2.638 1.00 0.60 C ATOM 249 C ASP A 105 7.146 23.487 2.600 1.00 0.56 C ATOM 250 O ASP A 105 7.455 24.075 3.619 1.00 0.63 O ATOM 251 CB ASP A 105 5.182 22.357 3.743 1.00 0.68 C ATOM 252 CG ASP A 105 3.899 22.978 3.178 1.00 0.86 C ATOM 253 OD1 ASP A 105 3.994 23.738 2.229 1.00 0.84 O ATOM 254 OD2 ASP A 105 2.843 22.695 3.713 1.00 1.45 O ATOM 0 H ASP A 105 6.774 20.556 3.850 1.00 0.61 H new ATOM 0 HA ASP A 105 5.784 22.163 1.653 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.967 21.372 4.156 1.00 0.68 H new ATOM 0 HB3 ASP A 105 5.562 22.969 4.560 1.00 0.68 H new ATOM 259 N LYS A 106 7.569 23.883 1.421 1.00 0.59 N ATOM 260 CA LYS A 106 8.459 25.083 1.286 1.00 0.66 C ATOM 261 C LYS A 106 7.754 26.333 1.829 1.00 0.55 C ATOM 262 O LYS A 106 8.279 27.035 2.672 1.00 0.63 O ATOM 263 CB LYS A 106 8.717 25.216 -0.220 1.00 0.87 C ATOM 264 CG LYS A 106 9.626 26.420 -0.484 1.00 1.21 C ATOM 265 CD LYS A 106 9.632 26.743 -1.981 1.00 1.61 C ATOM 266 CE LYS A 106 10.492 27.988 -2.231 1.00 1.77 C ATOM 267 NZ LYS A 106 9.596 28.962 -2.924 1.00 2.14 N1+ ATOM 0 H LYS A 106 7.334 23.423 0.541 1.00 0.59 H new ATOM 0 HA LYS A 106 9.386 24.977 1.850 1.00 0.66 H new ATOM 0 HB2 LYS A 106 9.182 24.307 -0.601 1.00 0.87 H new ATOM 0 HB3 LYS A 106 7.773 25.338 -0.751 1.00 0.87 H new ATOM 0 HG2 LYS A 106 9.277 27.283 0.083 1.00 1.21 H new ATOM 0 HG3 LYS A 106 10.639 26.205 -0.144 1.00 1.21 H new ATOM 0 HD2 LYS A 106 10.025 25.897 -2.545 1.00 1.61 H new ATOM 0 HD3 LYS A 106 8.614 26.914 -2.331 1.00 1.61 H new ATOM 0 HE2 LYS A 106 10.868 28.399 -1.294 1.00 1.77 H new ATOM 0 HE3 LYS A 106 11.360 27.748 -2.845 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 10.042 29.902 -2.928 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 9.436 28.651 -3.903 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 8.686 29.013 -2.424 1.00 2.14 H new ATOM 281 N ASN A 107 6.565 26.604 1.355 1.00 0.48 N ATOM 282 CA ASN A 107 5.806 27.796 1.841 1.00 0.50 C ATOM 283 C ASN A 107 5.118 27.479 3.185 1.00 0.58 C ATOM 284 O ASN A 107 4.817 28.366 3.958 1.00 0.70 O ATOM 285 CB ASN A 107 4.778 28.076 0.740 1.00 0.54 C ATOM 286 CG ASN A 107 3.973 29.326 1.090 1.00 0.70 C ATOM 287 OD1 ASN A 107 4.362 30.426 0.759 1.00 1.00 O ATOM 288 ND2 ASN A 107 2.854 29.198 1.742 1.00 0.78 N ATOM 0 H ASN A 107 6.084 26.048 0.648 1.00 0.48 H new ATOM 0 HA ASN A 107 6.447 28.659 2.023 1.00 0.50 H new ATOM 0 HB2 ASN A 107 5.284 28.214 -0.216 1.00 0.54 H new ATOM 0 HB3 ASN A 107 4.110 27.222 0.627 1.00 0.54 H new ATOM 0 HD21 ASN A 107 2.302 30.024 1.975 1.00 0.78 H new ATOM 0 HD22 ASN A 107 2.528 28.272 2.019 1.00 0.78 H new ATOM 295 N ALA A 108 4.890 26.211 3.465 1.00 0.65 N ATOM 296 CA ALA A 108 4.246 25.784 4.755 1.00 0.84 C ATOM 297 C ALA A 108 2.808 26.318 4.907 1.00 0.78 C ATOM 298 O ALA A 108 2.566 27.299 5.585 1.00 0.96 O ATOM 299 CB ALA A 108 5.152 26.330 5.868 1.00 1.03 C ATOM 0 H ALA A 108 5.128 25.441 2.841 1.00 0.65 H new ATOM 0 HA ALA A 108 4.152 24.699 4.793 1.00 0.84 H new ATOM 0 HB1 ALA A 108 4.741 26.055 6.839 1.00 1.03 H new ATOM 0 HB2 ALA A 108 6.151 25.907 5.764 1.00 1.03 H new ATOM 0 HB3 ALA A 108 5.208 27.416 5.792 1.00 1.03 H new ATOM 305 N ASP A 109 1.847 25.646 4.313 1.00 0.73 N ATOM 306 CA ASP A 109 0.414 26.075 4.459 1.00 0.74 C ATOM 307 C ASP A 109 -0.537 24.868 4.307 1.00 0.78 C ATOM 308 O ASP A 109 -1.707 25.027 4.010 1.00 0.96 O ATOM 309 CB ASP A 109 0.158 27.139 3.366 1.00 0.72 C ATOM 310 CG ASP A 109 0.423 26.597 1.954 1.00 1.15 C ATOM 311 OD1 ASP A 109 0.171 25.432 1.710 1.00 1.95 O ATOM 312 OD2 ASP A 109 0.872 27.372 1.127 1.00 1.66 O ATOM 0 H ASP A 109 1.992 24.819 3.733 1.00 0.73 H new ATOM 0 HA ASP A 109 0.225 26.491 5.449 1.00 0.74 H new ATOM 0 HB2 ASP A 109 -0.874 27.485 3.433 1.00 0.72 H new ATOM 0 HB3 ASP A 109 0.796 28.004 3.547 1.00 0.72 H new ATOM 317 N GLY A 110 -0.046 23.664 4.513 1.00 0.76 N ATOM 318 CA GLY A 110 -0.920 22.456 4.382 1.00 0.85 C ATOM 319 C GLY A 110 -0.813 21.862 2.968 1.00 0.70 C ATOM 320 O GLY A 110 -1.033 20.681 2.772 1.00 0.73 O ATOM 0 H GLY A 110 0.923 23.469 4.766 1.00 0.76 H new ATOM 0 HA2 GLY A 110 -0.629 21.708 5.120 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -1.955 22.725 4.592 1.00 0.85 H new ATOM 324 N TYR A 111 -0.496 22.665 1.980 1.00 0.68 N ATOM 325 CA TYR A 111 -0.396 22.140 0.581 1.00 0.60 C ATOM 326 C TYR A 111 0.943 22.538 -0.058 1.00 0.58 C ATOM 327 O TYR A 111 1.617 23.441 0.399 1.00 0.83 O ATOM 328 CB TYR A 111 -1.558 22.799 -0.170 1.00 0.68 C ATOM 329 CG TYR A 111 -2.868 22.487 0.526 1.00 0.68 C ATOM 330 CD1 TYR A 111 -3.559 21.309 0.220 1.00 0.78 C ATOM 331 CD2 TYR A 111 -3.389 23.377 1.476 1.00 0.71 C ATOM 332 CE1 TYR A 111 -4.770 21.020 0.863 1.00 0.83 C ATOM 333 CE2 TYR A 111 -4.598 23.086 2.117 1.00 0.78 C ATOM 334 CZ TYR A 111 -5.289 21.908 1.810 1.00 0.80 C ATOM 335 OH TYR A 111 -6.483 21.623 2.443 1.00 0.90 O ATOM 0 H TYR A 111 -0.302 23.661 2.082 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.445 21.051 0.552 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.408 23.878 -0.214 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.588 22.439 -1.198 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -3.159 20.623 -0.512 1.00 0.78 H new ATOM 0 HD2 TYR A 111 -2.857 24.287 1.713 1.00 0.71 H new ATOM 0 HE1 TYR A 111 -5.303 20.111 0.627 1.00 0.83 H new ATOM 0 HE2 TYR A 111 -4.999 23.771 2.850 1.00 0.78 H new ATOM 0 HH TYR A 111 -6.700 22.343 3.072 1.00 0.90 H new ATOM 345 N ILE A 112 1.324 21.878 -1.122 1.00 0.50 N ATOM 346 CA ILE A 112 2.610 22.218 -1.808 1.00 0.50 C ATOM 347 C ILE A 112 2.319 22.731 -3.231 1.00 0.49 C ATOM 348 O ILE A 112 1.552 22.139 -3.966 1.00 0.66 O ATOM 349 CB ILE A 112 3.406 20.903 -1.839 1.00 0.50 C ATOM 350 CG1 ILE A 112 4.030 20.648 -0.457 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.520 20.999 -2.886 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.674 19.255 -0.424 1.00 0.66 C ATOM 0 H ILE A 112 0.798 21.115 -1.548 1.00 0.50 H new ATOM 0 HA ILE A 112 3.167 23.004 -1.298 1.00 0.50 H new ATOM 0 HB ILE A 112 2.735 20.083 -2.096 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.779 21.410 -0.240 1.00 0.62 H new ATOM 0 HG13 ILE A 112 3.266 20.723 0.316 1.00 0.62 H new ATOM 0 HG21 ILE A 112 5.082 20.065 -2.906 1.00 0.58 H new ATOM 0 HG22 ILE A 112 4.082 21.179 -3.868 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.189 21.821 -2.631 1.00 0.58 H new ATOM 0 HD11 ILE A 112 5.114 19.081 0.558 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.915 18.498 -0.621 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.451 19.195 -1.186 1.00 0.66 H new ATOM 364 N ASP A 113 2.921 23.832 -3.615 1.00 0.47 N ATOM 365 CA ASP A 113 2.681 24.397 -4.983 1.00 0.50 C ATOM 366 C ASP A 113 3.787 23.955 -5.956 1.00 0.50 C ATOM 367 O ASP A 113 4.787 23.387 -5.557 1.00 0.57 O ATOM 368 CB ASP A 113 2.709 25.918 -4.783 1.00 0.60 C ATOM 369 CG ASP A 113 2.054 26.611 -5.978 1.00 1.17 C ATOM 370 OD1 ASP A 113 0.846 26.771 -5.955 1.00 1.85 O ATOM 371 OD2 ASP A 113 2.774 26.973 -6.895 1.00 1.77 O ATOM 0 H ASP A 113 3.571 24.366 -3.038 1.00 0.47 H new ATOM 0 HA ASP A 113 1.740 24.054 -5.413 1.00 0.50 H new ATOM 0 HB2 ASP A 113 2.184 26.183 -3.865 1.00 0.60 H new ATOM 0 HB3 ASP A 113 3.738 26.260 -4.672 1.00 0.60 H new ATOM 376 N LEU A 114 3.610 24.214 -7.233 1.00 0.52 N ATOM 377 CA LEU A 114 4.643 23.812 -8.247 1.00 0.57 C ATOM 378 C LEU A 114 6.022 24.377 -7.877 1.00 0.63 C ATOM 379 O LEU A 114 7.020 23.681 -7.940 1.00 0.80 O ATOM 380 CB LEU A 114 4.164 24.401 -9.582 1.00 0.62 C ATOM 381 CG LEU A 114 3.739 23.270 -10.524 1.00 0.61 C ATOM 382 CD1 LEU A 114 3.270 23.865 -11.854 1.00 0.91 C ATOM 383 CD2 LEU A 114 4.928 22.340 -10.782 1.00 0.81 C ATOM 0 H LEU A 114 2.793 24.688 -7.618 1.00 0.52 H new ATOM 0 HA LEU A 114 4.751 22.728 -8.297 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.328 25.079 -9.412 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.962 24.987 -10.039 1.00 0.62 H new ATOM 0 HG LEU A 114 2.927 22.706 -10.065 1.00 0.61 H new ATOM 0 HD11 LEU A 114 2.967 23.061 -12.525 1.00 0.91 H new ATOM 0 HD12 LEU A 114 2.424 24.529 -11.677 1.00 0.91 H new ATOM 0 HD13 LEU A 114 4.085 24.429 -12.308 1.00 0.91 H new ATOM 0 HD21 LEU A 114 4.623 21.537 -11.452 1.00 0.81 H new ATOM 0 HD22 LEU A 114 5.740 22.906 -11.240 1.00 0.81 H new ATOM 0 HD23 LEU A 114 5.269 21.915 -9.838 1.00 0.81 H new ATOM 395 N ASP A 115 6.086 25.629 -7.491 1.00 0.61 N ATOM 396 CA ASP A 115 7.403 26.233 -7.116 1.00 0.71 C ATOM 397 C ASP A 115 7.955 25.580 -5.841 1.00 0.65 C ATOM 398 O ASP A 115 9.147 25.382 -5.706 1.00 0.89 O ATOM 399 CB ASP A 115 7.114 27.718 -6.880 1.00 0.80 C ATOM 400 CG ASP A 115 8.433 28.471 -6.703 1.00 1.17 C ATOM 401 OD1 ASP A 115 9.118 28.664 -7.693 1.00 1.76 O ATOM 402 OD2 ASP A 115 8.740 28.833 -5.580 1.00 1.76 O ATOM 0 H ASP A 115 5.285 26.257 -7.420 1.00 0.61 H new ATOM 0 HA ASP A 115 8.153 26.084 -7.893 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.558 28.130 -7.722 1.00 0.80 H new ATOM 0 HB3 ASP A 115 6.490 27.842 -5.995 1.00 0.80 H new ATOM 407 N GLU A 116 7.099 25.240 -4.910 1.00 0.51 N ATOM 408 CA GLU A 116 7.579 24.595 -3.648 1.00 0.48 C ATOM 409 C GLU A 116 8.203 23.218 -3.940 1.00 0.49 C ATOM 410 O GLU A 116 8.999 22.724 -3.168 1.00 0.63 O ATOM 411 CB GLU A 116 6.334 24.443 -2.767 1.00 0.48 C ATOM 412 CG GLU A 116 5.788 25.825 -2.386 1.00 0.57 C ATOM 413 CD GLU A 116 4.676 25.665 -1.348 1.00 0.60 C ATOM 414 OE1 GLU A 116 4.936 25.063 -0.320 1.00 1.36 O ATOM 415 OE2 GLU A 116 3.584 26.147 -1.593 1.00 1.19 O ATOM 0 H GLU A 116 6.090 25.381 -4.968 1.00 0.51 H new ATOM 0 HA GLU A 116 8.351 25.192 -3.162 1.00 0.48 H new ATOM 0 HB2 GLU A 116 5.570 23.875 -3.298 1.00 0.48 H new ATOM 0 HB3 GLU A 116 6.582 23.880 -1.867 1.00 0.48 H new ATOM 0 HG2 GLU A 116 6.589 26.446 -1.984 1.00 0.57 H new ATOM 0 HG3 GLU A 116 5.404 26.333 -3.271 1.00 0.57 H new ATOM 422 N LEU A 117 7.846 22.598 -5.043 1.00 0.48 N ATOM 423 CA LEU A 117 8.419 21.251 -5.377 1.00 0.52 C ATOM 424 C LEU A 117 9.845 21.382 -5.943 1.00 0.58 C ATOM 425 O LEU A 117 10.762 20.753 -5.457 1.00 0.69 O ATOM 426 CB LEU A 117 7.492 20.657 -6.448 1.00 0.55 C ATOM 427 CG LEU A 117 6.054 20.562 -5.928 1.00 0.50 C ATOM 428 CD1 LEU A 117 5.087 20.679 -7.105 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.837 19.212 -5.242 1.00 0.53 C ATOM 0 H LEU A 117 7.183 22.966 -5.726 1.00 0.48 H new ATOM 0 HA LEU A 117 8.481 20.623 -4.488 1.00 0.52 H new ATOM 0 HB2 LEU A 117 7.520 21.277 -7.344 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.847 19.667 -6.734 1.00 0.55 H new ATOM 0 HG LEU A 117 5.877 21.366 -5.213 1.00 0.50 H new ATOM 0 HD11 LEU A 117 4.062 20.612 -6.741 1.00 0.58 H new ATOM 0 HD12 LEU A 117 5.234 21.638 -7.603 1.00 0.58 H new ATOM 0 HD13 LEU A 117 5.275 19.871 -7.812 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.813 19.151 -4.875 1.00 0.53 H new ATOM 0 HD22 LEU A 117 6.015 18.408 -5.956 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.529 19.114 -4.406 1.00 0.53 H new ATOM 441 N LYS A 118 10.025 22.181 -6.977 1.00 0.59 N ATOM 442 CA LYS A 118 11.386 22.345 -7.606 1.00 0.69 C ATOM 443 C LYS A 118 12.445 22.825 -6.594 1.00 0.64 C ATOM 444 O LYS A 118 13.626 22.597 -6.777 1.00 0.73 O ATOM 445 CB LYS A 118 11.196 23.381 -8.725 1.00 0.83 C ATOM 446 CG LYS A 118 10.914 24.764 -8.130 1.00 0.99 C ATOM 447 CD LYS A 118 10.888 25.809 -9.250 1.00 1.35 C ATOM 448 CE LYS A 118 9.532 25.767 -9.963 1.00 1.51 C ATOM 449 NZ LYS A 118 9.180 27.194 -10.217 1.00 1.99 N1+ ATOM 0 H LYS A 118 9.285 22.729 -7.415 1.00 0.59 H new ATOM 0 HA LYS A 118 11.755 21.391 -7.982 1.00 0.69 H new ATOM 0 HB2 LYS A 118 12.090 23.421 -9.348 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.371 23.081 -9.371 1.00 0.83 H new ATOM 0 HG2 LYS A 118 9.960 24.757 -7.603 1.00 0.99 H new ATOM 0 HG3 LYS A 118 11.680 25.019 -7.398 1.00 0.99 H new ATOM 0 HD2 LYS A 118 11.062 26.803 -8.838 1.00 1.35 H new ATOM 0 HD3 LYS A 118 11.690 25.614 -9.962 1.00 1.35 H new ATOM 0 HE2 LYS A 118 9.594 25.205 -10.895 1.00 1.51 H new ATOM 0 HE3 LYS A 118 8.778 25.279 -9.346 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 8.247 27.245 -10.673 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 9.154 27.711 -9.315 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 9.894 27.622 -10.841 1.00 1.99 H new ATOM 463 N ILE A 119 12.045 23.485 -5.538 1.00 0.68 N ATOM 464 CA ILE A 119 13.047 23.961 -4.532 1.00 0.74 C ATOM 465 C ILE A 119 13.116 22.992 -3.330 1.00 0.75 C ATOM 466 O ILE A 119 14.031 23.055 -2.528 1.00 0.85 O ATOM 467 CB ILE A 119 12.550 25.353 -4.113 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.820 26.349 -5.249 1.00 1.22 C ATOM 469 CG2 ILE A 119 13.288 25.817 -2.854 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.648 27.327 -5.374 1.00 1.06 C ATOM 0 H ILE A 119 11.074 23.715 -5.327 1.00 0.68 H new ATOM 0 HA ILE A 119 14.058 24.002 -4.936 1.00 0.74 H new ATOM 0 HB ILE A 119 11.481 25.303 -3.905 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.742 26.896 -5.053 1.00 1.22 H new ATOM 0 HG13 ILE A 119 12.960 25.814 -6.188 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.929 26.805 -2.565 1.00 1.08 H new ATOM 0 HG22 ILE A 119 13.103 25.112 -2.043 1.00 1.08 H new ATOM 0 HG23 ILE A 119 14.358 25.865 -3.056 1.00 1.08 H new ATOM 0 HD11 ILE A 119 11.846 28.031 -6.182 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.734 26.774 -5.591 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.528 27.873 -4.438 1.00 1.06 H new ATOM 482 N MET A 120 12.158 22.104 -3.197 1.00 0.85 N ATOM 483 CA MET A 120 12.163 21.146 -2.046 1.00 1.01 C ATOM 484 C MET A 120 12.996 19.889 -2.357 1.00 0.95 C ATOM 485 O MET A 120 13.835 19.491 -1.570 1.00 1.11 O ATOM 486 CB MET A 120 10.690 20.780 -1.846 1.00 1.17 C ATOM 487 CG MET A 120 10.561 19.695 -0.775 1.00 1.52 C ATOM 488 SD MET A 120 10.474 18.071 -1.572 1.00 1.88 S ATOM 489 CE MET A 120 8.685 18.040 -1.837 1.00 1.43 C ATOM 0 H MET A 120 11.371 22.002 -3.838 1.00 0.85 H new ATOM 0 HA MET A 120 12.613 21.586 -1.156 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.124 21.663 -1.550 1.00 1.17 H new ATOM 0 HB3 MET A 120 10.263 20.428 -2.785 1.00 1.17 H new ATOM 0 HG2 MET A 120 11.414 19.734 -0.097 1.00 1.52 H new ATOM 0 HG3 MET A 120 9.668 19.866 -0.174 1.00 1.52 H new ATOM 0 HE1 MET A 120 8.224 17.352 -1.128 1.00 1.43 H new ATOM 0 HE2 MET A 120 8.278 19.040 -1.689 1.00 1.43 H new ATOM 0 HE3 MET A 120 8.473 17.709 -2.854 1.00 1.43 H new ATOM 499 N LEU A 121 12.767 19.254 -3.484 1.00 0.87 N ATOM 500 CA LEU A 121 13.545 18.013 -3.820 1.00 0.95 C ATOM 501 C LEU A 121 15.035 18.322 -4.049 1.00 0.87 C ATOM 502 O LEU A 121 15.834 17.415 -4.176 1.00 0.97 O ATOM 503 CB LEU A 121 12.907 17.451 -5.096 1.00 1.09 C ATOM 504 CG LEU A 121 12.688 15.942 -4.944 1.00 1.41 C ATOM 505 CD1 LEU A 121 11.201 15.660 -4.723 1.00 2.03 C ATOM 506 CD2 LEU A 121 13.150 15.230 -6.218 1.00 1.80 C ATOM 0 H LEU A 121 12.080 19.538 -4.182 1.00 0.87 H new ATOM 0 HA LEU A 121 13.508 17.297 -2.999 1.00 0.95 H new ATOM 0 HB2 LEU A 121 11.956 17.948 -5.288 1.00 1.09 H new ATOM 0 HB3 LEU A 121 13.550 17.650 -5.953 1.00 1.09 H new ATOM 0 HG LEU A 121 13.260 15.578 -4.090 1.00 1.41 H new ATOM 0 HD11 LEU A 121 11.046 14.586 -4.615 1.00 2.03 H new ATOM 0 HD12 LEU A 121 10.865 16.168 -3.819 1.00 2.03 H new ATOM 0 HD13 LEU A 121 10.631 16.025 -5.577 1.00 2.03 H new ATOM 0 HD21 LEU A 121 12.995 14.156 -6.111 1.00 1.80 H new ATOM 0 HD22 LEU A 121 12.576 15.597 -7.069 1.00 1.80 H new ATOM 0 HD23 LEU A 121 14.209 15.429 -6.382 1.00 1.80 H new ATOM 518 N GLN A 122 15.421 19.582 -4.107 1.00 0.82 N ATOM 519 CA GLN A 122 16.867 19.928 -4.325 1.00 0.95 C ATOM 520 C GLN A 122 17.773 19.100 -3.399 1.00 1.04 C ATOM 521 O GLN A 122 18.771 18.552 -3.830 1.00 1.19 O ATOM 522 CB GLN A 122 16.988 21.419 -3.991 1.00 1.14 C ATOM 523 CG GLN A 122 16.341 22.255 -5.102 1.00 1.42 C ATOM 524 CD GLN A 122 17.309 22.396 -6.281 1.00 1.85 C ATOM 525 OE1 GLN A 122 18.501 22.544 -6.095 1.00 2.44 O ATOM 526 NE2 GLN A 122 16.842 22.360 -7.498 1.00 2.28 N ATOM 0 H GLN A 122 14.796 20.383 -4.013 1.00 0.82 H new ATOM 0 HA GLN A 122 17.178 19.712 -5.347 1.00 0.95 H new ATOM 0 HB2 GLN A 122 16.503 21.628 -3.037 1.00 1.14 H new ATOM 0 HB3 GLN A 122 18.037 21.693 -3.882 1.00 1.14 H new ATOM 0 HG2 GLN A 122 15.417 21.782 -5.434 1.00 1.42 H new ATOM 0 HG3 GLN A 122 16.075 23.240 -4.719 1.00 1.42 H new ATOM 0 HE21 GLN A 122 15.842 22.236 -7.657 1.00 2.28 H new ATOM 0 HE22 GLN A 122 17.477 22.456 -8.291 1.00 2.28 H new ATOM 535 N ALA A 123 17.430 19.000 -2.134 1.00 1.09 N ATOM 536 CA ALA A 123 18.269 18.201 -1.183 1.00 1.33 C ATOM 537 C ALA A 123 18.236 16.712 -1.555 1.00 1.38 C ATOM 538 O ALA A 123 19.230 16.019 -1.451 1.00 1.62 O ATOM 539 CB ALA A 123 17.638 18.417 0.196 1.00 1.45 C ATOM 0 H ALA A 123 16.606 19.437 -1.721 1.00 1.09 H new ATOM 0 HA ALA A 123 19.313 18.512 -1.208 1.00 1.33 H new ATOM 0 HB1 ALA A 123 18.201 17.860 0.945 1.00 1.45 H new ATOM 0 HB2 ALA A 123 17.657 19.479 0.443 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.606 18.066 0.183 1.00 1.45 H new ATOM 545 N THR A 124 17.102 16.218 -1.987 1.00 1.29 N ATOM 546 CA THR A 124 16.999 14.774 -2.369 1.00 1.47 C ATOM 547 C THR A 124 17.717 14.526 -3.706 1.00 1.44 C ATOM 548 O THR A 124 18.320 13.489 -3.909 1.00 1.72 O ATOM 549 CB THR A 124 15.493 14.509 -2.502 1.00 1.56 C ATOM 550 OG1 THR A 124 14.824 14.929 -1.317 1.00 2.16 O ATOM 551 CG2 THR A 124 15.241 13.017 -2.725 1.00 1.92 C ATOM 0 H THR A 124 16.240 16.754 -2.092 1.00 1.29 H new ATOM 0 HA THR A 124 17.465 14.115 -1.636 1.00 1.47 H new ATOM 0 HB THR A 124 15.110 15.070 -3.355 1.00 1.56 H new ATOM 0 HG1 THR A 124 13.863 14.760 -1.406 1.00 2.16 H new ATOM 0 HG21 THR A 124 14.170 12.839 -2.818 1.00 1.92 H new ATOM 0 HG22 THR A 124 15.743 12.696 -3.638 1.00 1.92 H new ATOM 0 HG23 THR A 124 15.631 12.452 -1.878 1.00 1.92 H new ATOM 559 N GLY A 125 17.661 15.472 -4.613 1.00 1.26 N ATOM 560 CA GLY A 125 18.342 15.302 -5.933 1.00 1.32 C ATOM 561 C GLY A 125 17.512 15.973 -7.032 1.00 1.26 C ATOM 562 O GLY A 125 16.922 15.312 -7.863 1.00 1.63 O ATOM 0 H GLY A 125 17.170 16.358 -4.494 1.00 1.26 H new ATOM 0 HA2 GLY A 125 19.339 15.741 -5.898 1.00 1.32 H new ATOM 0 HA3 GLY A 125 18.468 14.242 -6.155 1.00 1.32 H new ATOM 566 N GLU A 126 17.467 17.284 -7.043 1.00 1.02 N ATOM 567 CA GLU A 126 16.674 18.004 -8.091 1.00 1.08 C ATOM 568 C GLU A 126 17.615 18.645 -9.124 1.00 0.89 C ATOM 569 O GLU A 126 17.738 19.853 -9.210 1.00 0.87 O ATOM 570 CB GLU A 126 15.888 19.075 -7.328 1.00 1.34 C ATOM 571 CG GLU A 126 14.787 19.656 -8.225 1.00 1.45 C ATOM 572 CD GLU A 126 13.414 19.362 -7.620 1.00 1.61 C ATOM 573 OE1 GLU A 126 13.132 19.891 -6.560 1.00 2.16 O ATOM 574 OE2 GLU A 126 12.667 18.616 -8.228 1.00 2.09 O ATOM 0 H GLU A 126 17.944 17.886 -6.373 1.00 1.02 H new ATOM 0 HA GLU A 126 16.013 17.336 -8.643 1.00 1.08 H new ATOM 0 HB2 GLU A 126 15.447 18.643 -6.430 1.00 1.34 H new ATOM 0 HB3 GLU A 126 16.560 19.869 -7.003 1.00 1.34 H new ATOM 0 HG2 GLU A 126 14.924 20.732 -8.333 1.00 1.45 H new ATOM 0 HG3 GLU A 126 14.854 19.225 -9.224 1.00 1.45 H new ATOM 581 N THR A 127 18.279 17.836 -9.911 1.00 1.09 N ATOM 582 CA THR A 127 19.214 18.380 -10.946 1.00 1.21 C ATOM 583 C THR A 127 18.596 18.224 -12.344 1.00 1.29 C ATOM 584 O THR A 127 19.169 17.610 -13.226 1.00 1.60 O ATOM 585 CB THR A 127 20.497 17.545 -10.811 1.00 1.57 C ATOM 586 OG1 THR A 127 20.167 16.162 -10.756 1.00 1.91 O ATOM 587 CG2 THR A 127 21.233 17.942 -9.531 1.00 2.18 C ATOM 0 H THR A 127 18.214 16.818 -9.882 1.00 1.09 H new ATOM 0 HA THR A 127 19.416 19.442 -10.808 1.00 1.21 H new ATOM 0 HB THR A 127 21.138 17.730 -11.673 1.00 1.57 H new ATOM 0 HG1 THR A 127 20.988 15.633 -10.672 1.00 1.91 H new ATOM 0 HG21 THR A 127 22.143 17.349 -9.436 1.00 2.18 H new ATOM 0 HG22 THR A 127 21.492 19.000 -9.573 1.00 2.18 H new ATOM 0 HG23 THR A 127 20.590 17.760 -8.670 1.00 2.18 H new ATOM 595 N ILE A 128 17.426 18.780 -12.546 1.00 1.08 N ATOM 596 CA ILE A 128 16.750 18.675 -13.881 1.00 1.20 C ATOM 597 C ILE A 128 16.142 20.026 -14.289 1.00 1.18 C ATOM 598 O ILE A 128 16.086 20.956 -13.504 1.00 1.15 O ATOM 599 CB ILE A 128 15.640 17.625 -13.699 1.00 1.12 C ATOM 600 CG1 ILE A 128 14.785 17.971 -12.470 1.00 1.32 C ATOM 601 CG2 ILE A 128 16.265 16.239 -13.509 1.00 1.62 C ATOM 602 CD1 ILE A 128 13.520 17.110 -12.460 1.00 2.03 C ATOM 0 H ILE A 128 16.907 19.304 -11.842 1.00 1.08 H new ATOM 0 HA ILE A 128 17.453 18.393 -14.665 1.00 1.20 H new ATOM 0 HB ILE A 128 15.008 17.622 -14.587 1.00 1.12 H new ATOM 0 HG12 ILE A 128 15.358 17.803 -11.558 1.00 1.32 H new ATOM 0 HG13 ILE A 128 14.517 19.027 -12.488 1.00 1.32 H new ATOM 0 HG21 ILE A 128 15.476 15.498 -13.380 1.00 1.62 H new ATOM 0 HG22 ILE A 128 16.861 15.985 -14.386 1.00 1.62 H new ATOM 0 HG23 ILE A 128 16.903 16.246 -12.626 1.00 1.62 H new ATOM 0 HD11 ILE A 128 12.917 17.359 -11.587 1.00 2.03 H new ATOM 0 HD12 ILE A 128 12.943 17.300 -13.365 1.00 2.03 H new ATOM 0 HD13 ILE A 128 13.797 16.057 -12.421 1.00 2.03 H new ATOM 614 N THR A 129 15.677 20.134 -15.510 1.00 1.34 N ATOM 615 CA THR A 129 15.057 21.420 -15.977 1.00 1.42 C ATOM 616 C THR A 129 13.736 21.656 -15.229 1.00 1.16 C ATOM 617 O THR A 129 13.136 20.731 -14.723 1.00 0.97 O ATOM 618 CB THR A 129 14.791 21.241 -17.485 1.00 1.64 C ATOM 619 OG1 THR A 129 15.580 20.175 -18.002 1.00 2.23 O ATOM 620 CG2 THR A 129 15.146 22.532 -18.225 1.00 2.28 C ATOM 0 H THR A 129 15.699 19.388 -16.206 1.00 1.34 H new ATOM 0 HA THR A 129 15.705 22.276 -15.788 1.00 1.42 H new ATOM 0 HB THR A 129 13.736 21.009 -17.629 1.00 1.64 H new ATOM 0 HG1 THR A 129 15.058 19.345 -17.988 1.00 2.23 H new ATOM 0 HG21 THR A 129 14.957 22.404 -19.291 1.00 2.28 H new ATOM 0 HG22 THR A 129 14.534 23.350 -17.844 1.00 2.28 H new ATOM 0 HG23 THR A 129 16.200 22.763 -18.068 1.00 2.28 H new ATOM 628 N GLU A 130 13.276 22.883 -15.152 1.00 1.31 N ATOM 629 CA GLU A 130 11.988 23.159 -14.428 1.00 1.28 C ATOM 630 C GLU A 130 10.846 22.341 -15.043 1.00 1.16 C ATOM 631 O GLU A 130 10.072 21.720 -14.340 1.00 1.21 O ATOM 632 CB GLU A 130 11.732 24.654 -14.603 1.00 1.69 C ATOM 633 CG GLU A 130 10.425 25.034 -13.897 1.00 2.05 C ATOM 634 CD GLU A 130 10.609 26.334 -13.108 1.00 2.43 C ATOM 635 OE1 GLU A 130 11.536 26.404 -12.318 1.00 2.70 O ATOM 636 OE2 GLU A 130 9.808 27.233 -13.298 1.00 3.03 O ATOM 0 H GLU A 130 13.731 23.702 -15.555 1.00 1.31 H new ATOM 0 HA GLU A 130 12.047 22.882 -13.375 1.00 1.28 H new ATOM 0 HB2 GLU A 130 12.562 25.227 -14.189 1.00 1.69 H new ATOM 0 HB3 GLU A 130 11.671 24.902 -15.663 1.00 1.69 H new ATOM 0 HG2 GLU A 130 9.628 25.155 -14.631 1.00 2.05 H new ATOM 0 HG3 GLU A 130 10.120 24.232 -13.225 1.00 2.05 H new ATOM 643 N ASP A 131 10.750 22.326 -16.350 1.00 1.18 N ATOM 644 CA ASP A 131 9.674 21.530 -17.022 1.00 1.19 C ATOM 645 C ASP A 131 9.810 20.045 -16.642 1.00 1.07 C ATOM 646 O ASP A 131 8.829 19.334 -16.525 1.00 1.14 O ATOM 647 CB ASP A 131 9.886 21.740 -18.531 1.00 1.44 C ATOM 648 CG ASP A 131 11.347 21.471 -18.911 1.00 1.48 C ATOM 649 OD1 ASP A 131 11.663 20.334 -19.212 1.00 2.07 O ATOM 650 OD2 ASP A 131 12.123 22.413 -18.894 1.00 1.91 O ATOM 0 H ASP A 131 11.371 22.831 -16.982 1.00 1.18 H new ATOM 0 HA ASP A 131 8.675 21.844 -16.720 1.00 1.19 H new ATOM 0 HB2 ASP A 131 9.230 21.075 -19.092 1.00 1.44 H new ATOM 0 HB3 ASP A 131 9.615 22.760 -18.804 1.00 1.44 H new ATOM 655 N ASP A 132 11.023 19.585 -16.421 1.00 1.00 N ATOM 656 CA ASP A 132 11.238 18.158 -16.018 1.00 1.03 C ATOM 657 C ASP A 132 10.617 17.913 -14.635 1.00 0.88 C ATOM 658 O ASP A 132 10.123 16.840 -14.341 1.00 1.03 O ATOM 659 CB ASP A 132 12.763 17.991 -15.949 1.00 1.13 C ATOM 660 CG ASP A 132 13.259 17.195 -17.156 1.00 1.39 C ATOM 661 OD1 ASP A 132 12.899 16.035 -17.269 1.00 1.79 O ATOM 662 OD2 ASP A 132 13.999 17.759 -17.945 1.00 1.99 O ATOM 0 H ASP A 132 11.875 20.140 -16.503 1.00 1.00 H new ATOM 0 HA ASP A 132 10.780 17.455 -16.714 1.00 1.03 H new ATOM 0 HB2 ASP A 132 13.243 18.969 -15.926 1.00 1.13 H new ATOM 0 HB3 ASP A 132 13.039 17.479 -15.027 1.00 1.13 H new ATOM 667 N ILE A 133 10.640 18.915 -13.788 1.00 0.75 N ATOM 668 CA ILE A 133 10.054 18.776 -12.415 1.00 0.77 C ATOM 669 C ILE A 133 8.525 18.720 -12.501 1.00 0.70 C ATOM 670 O ILE A 133 7.881 17.987 -11.774 1.00 0.82 O ATOM 671 CB ILE A 133 10.495 20.030 -11.643 1.00 0.87 C ATOM 672 CG1 ILE A 133 11.986 20.311 -11.904 1.00 0.96 C ATOM 673 CG2 ILE A 133 10.265 19.805 -10.145 1.00 1.06 C ATOM 674 CD1 ILE A 133 12.514 21.346 -10.912 1.00 1.00 C ATOM 0 H ILE A 133 11.043 19.830 -13.990 1.00 0.75 H new ATOM 0 HA ILE A 133 10.389 17.863 -11.923 1.00 0.77 H new ATOM 0 HB ILE A 133 9.911 20.887 -11.979 1.00 0.87 H new ATOM 0 HG12 ILE A 133 12.558 19.387 -11.815 1.00 0.96 H new ATOM 0 HG13 ILE A 133 12.122 20.673 -12.923 1.00 0.96 H new ATOM 0 HG21 ILE A 133 10.576 20.691 -9.592 1.00 1.06 H new ATOM 0 HG22 ILE A 133 9.207 19.617 -9.964 1.00 1.06 H new ATOM 0 HG23 ILE A 133 10.848 18.946 -9.812 1.00 1.06 H new ATOM 0 HD11 ILE A 133 13.569 21.534 -11.109 1.00 1.00 H new ATOM 0 HD12 ILE A 133 11.953 22.274 -11.022 1.00 1.00 H new ATOM 0 HD13 ILE A 133 12.396 20.969 -9.896 1.00 1.00 H new ATOM 686 N GLU A 134 7.945 19.490 -13.389 1.00 0.61 N ATOM 687 CA GLU A 134 6.455 19.492 -13.539 1.00 0.64 C ATOM 688 C GLU A 134 5.937 18.086 -13.875 1.00 0.64 C ATOM 689 O GLU A 134 4.804 17.752 -13.580 1.00 0.76 O ATOM 690 CB GLU A 134 6.177 20.455 -14.692 1.00 0.73 C ATOM 691 CG GLU A 134 5.860 21.841 -14.127 1.00 0.89 C ATOM 692 CD GLU A 134 5.431 22.774 -15.260 1.00 1.21 C ATOM 693 OE1 GLU A 134 4.325 22.610 -15.749 1.00 1.86 O ATOM 694 OE2 GLU A 134 6.215 23.636 -15.619 1.00 1.87 O ATOM 0 H GLU A 134 8.441 20.120 -14.019 1.00 0.61 H new ATOM 0 HA GLU A 134 5.954 19.794 -12.619 1.00 0.64 H new ATOM 0 HB2 GLU A 134 7.042 20.508 -15.353 1.00 0.73 H new ATOM 0 HB3 GLU A 134 5.340 20.093 -15.290 1.00 0.73 H new ATOM 0 HG2 GLU A 134 5.067 21.768 -13.383 1.00 0.89 H new ATOM 0 HG3 GLU A 134 6.736 22.247 -13.621 1.00 0.89 H new ATOM 701 N GLU A 135 6.755 17.261 -14.486 1.00 0.59 N ATOM 702 CA GLU A 135 6.311 15.875 -14.835 1.00 0.67 C ATOM 703 C GLU A 135 5.947 15.102 -13.561 1.00 0.74 C ATOM 704 O GLU A 135 4.964 14.387 -13.522 1.00 0.91 O ATOM 705 CB GLU A 135 7.510 15.228 -15.538 1.00 0.72 C ATOM 706 CG GLU A 135 7.817 15.970 -16.848 1.00 1.16 C ATOM 707 CD GLU A 135 6.522 16.232 -17.621 1.00 1.56 C ATOM 708 OE1 GLU A 135 5.992 15.292 -18.188 1.00 2.29 O ATOM 709 OE2 GLU A 135 6.079 17.368 -17.630 1.00 2.03 O ATOM 0 H GLU A 135 7.711 17.489 -14.758 1.00 0.59 H new ATOM 0 HA GLU A 135 5.426 15.875 -15.471 1.00 0.67 H new ATOM 0 HB2 GLU A 135 8.382 15.253 -14.884 1.00 0.72 H new ATOM 0 HB3 GLU A 135 7.297 14.179 -15.746 1.00 0.72 H new ATOM 0 HG2 GLU A 135 8.318 16.914 -16.632 1.00 1.16 H new ATOM 0 HG3 GLU A 135 8.500 15.379 -17.458 1.00 1.16 H new ATOM 716 N LEU A 136 6.722 15.259 -12.515 1.00 0.73 N ATOM 717 CA LEU A 136 6.409 14.552 -11.235 1.00 0.87 C ATOM 718 C LEU A 136 5.164 15.178 -10.592 1.00 0.81 C ATOM 719 O LEU A 136 4.332 14.487 -10.034 1.00 1.00 O ATOM 720 CB LEU A 136 7.637 14.760 -10.342 1.00 0.99 C ATOM 721 CG LEU A 136 8.729 13.751 -10.713 1.00 1.09 C ATOM 722 CD1 LEU A 136 10.052 14.490 -10.915 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.889 12.717 -9.587 1.00 1.75 C ATOM 0 H LEU A 136 7.556 15.845 -12.493 1.00 0.73 H new ATOM 0 HA LEU A 136 6.201 13.493 -11.387 1.00 0.87 H new ATOM 0 HB2 LEU A 136 8.014 15.776 -10.458 1.00 0.99 H new ATOM 0 HB3 LEU A 136 7.360 14.641 -9.295 1.00 0.99 H new ATOM 0 HG LEU A 136 8.448 13.239 -11.633 1.00 1.09 H new ATOM 0 HD11 LEU A 136 10.831 13.775 -11.179 1.00 1.74 H new ATOM 0 HD12 LEU A 136 9.942 15.220 -11.717 1.00 1.74 H new ATOM 0 HD13 LEU A 136 10.327 15.002 -9.993 1.00 1.74 H new ATOM 0 HD21 LEU A 136 9.667 12.003 -9.857 1.00 1.75 H new ATOM 0 HD22 LEU A 136 9.167 13.225 -8.664 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.946 12.189 -9.441 1.00 1.75 H new ATOM 735 N MET A 137 5.030 16.484 -10.680 1.00 0.67 N ATOM 736 CA MET A 137 3.836 17.174 -10.092 1.00 0.71 C ATOM 737 C MET A 137 2.541 16.633 -10.715 1.00 0.68 C ATOM 738 O MET A 137 1.518 16.571 -10.064 1.00 0.70 O ATOM 739 CB MET A 137 4.022 18.654 -10.441 1.00 0.82 C ATOM 740 CG MET A 137 3.309 19.528 -9.407 1.00 0.99 C ATOM 741 SD MET A 137 1.629 19.900 -9.970 1.00 0.94 S ATOM 742 CE MET A 137 1.138 20.912 -8.551 1.00 0.53 C ATOM 0 H MET A 137 5.700 17.103 -11.136 1.00 0.67 H new ATOM 0 HA MET A 137 3.758 17.013 -9.017 1.00 0.71 H new ATOM 0 HB2 MET A 137 5.084 18.900 -10.467 1.00 0.82 H new ATOM 0 HB3 MET A 137 3.624 18.855 -11.436 1.00 0.82 H new ATOM 0 HG2 MET A 137 3.275 19.015 -8.446 1.00 0.99 H new ATOM 0 HG3 MET A 137 3.864 20.453 -9.255 1.00 0.99 H new ATOM 0 HE1 MET A 137 0.287 20.449 -8.051 1.00 0.53 H new ATOM 0 HE2 MET A 137 1.972 20.988 -7.853 1.00 0.53 H new ATOM 0 HE3 MET A 137 0.859 21.908 -8.894 1.00 0.53 H new ATOM 752 N LYS A 138 2.582 16.239 -11.970 1.00 0.76 N ATOM 753 CA LYS A 138 1.352 15.694 -12.633 1.00 0.82 C ATOM 754 C LYS A 138 0.778 14.538 -11.809 1.00 0.72 C ATOM 755 O LYS A 138 -0.399 14.504 -11.515 1.00 0.84 O ATOM 756 CB LYS A 138 1.813 15.193 -14.006 1.00 0.99 C ATOM 757 CG LYS A 138 1.134 16.012 -15.107 1.00 1.57 C ATOM 758 CD LYS A 138 1.891 17.328 -15.311 1.00 2.09 C ATOM 759 CE LYS A 138 2.999 17.125 -16.349 1.00 2.74 C ATOM 760 NZ LYS A 138 3.758 18.410 -16.364 1.00 3.43 N1+ ATOM 0 H LYS A 138 3.413 16.272 -12.561 1.00 0.76 H new ATOM 0 HA LYS A 138 0.569 16.448 -12.721 1.00 0.82 H new ATOM 0 HB2 LYS A 138 2.896 15.279 -14.091 1.00 0.99 H new ATOM 0 HB3 LYS A 138 1.567 14.137 -14.120 1.00 0.99 H new ATOM 0 HG2 LYS A 138 1.115 15.444 -16.037 1.00 1.57 H new ATOM 0 HG3 LYS A 138 0.098 16.215 -14.836 1.00 1.57 H new ATOM 0 HD2 LYS A 138 1.205 18.107 -15.644 1.00 2.09 H new ATOM 0 HD3 LYS A 138 2.320 17.663 -14.367 1.00 2.09 H new ATOM 0 HE2 LYS A 138 3.644 16.289 -16.078 1.00 2.74 H new ATOM 0 HE3 LYS A 138 2.583 16.901 -17.331 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 4.713 18.245 -16.740 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 3.263 19.099 -16.966 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 3.827 18.784 -15.396 1.00 3.43 H new ATOM 774 N ASP A 139 1.607 13.598 -11.421 1.00 0.75 N ATOM 775 CA ASP A 139 1.110 12.455 -10.599 1.00 0.78 C ATOM 776 C ASP A 139 0.715 12.961 -9.204 1.00 0.70 C ATOM 777 O ASP A 139 -0.262 12.518 -8.628 1.00 0.81 O ATOM 778 CB ASP A 139 2.282 11.472 -10.522 1.00 0.97 C ATOM 779 CG ASP A 139 1.742 10.046 -10.405 1.00 1.16 C ATOM 780 OD1 ASP A 139 1.347 9.499 -11.420 1.00 1.66 O ATOM 781 OD2 ASP A 139 1.723 9.530 -9.301 1.00 1.69 O ATOM 0 H ASP A 139 2.603 13.575 -11.639 1.00 0.75 H new ATOM 0 HA ASP A 139 0.228 11.979 -11.027 1.00 0.78 H new ATOM 0 HB2 ASP A 139 2.907 11.564 -11.410 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.911 11.706 -9.663 1.00 0.97 H new ATOM 786 N GLY A 140 1.454 13.908 -8.670 1.00 0.64 N ATOM 787 CA GLY A 140 1.111 14.468 -7.328 1.00 0.62 C ATOM 788 C GLY A 140 -0.280 15.092 -7.398 1.00 0.57 C ATOM 789 O GLY A 140 -1.175 14.717 -6.665 1.00 0.65 O ATOM 0 H GLY A 140 2.280 14.315 -9.109 1.00 0.64 H new ATOM 0 HA2 GLY A 140 1.135 13.682 -6.573 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.846 15.216 -7.032 1.00 0.62 H new ATOM 793 N ASP A 141 -0.470 16.028 -8.291 1.00 0.56 N ATOM 794 CA ASP A 141 -1.805 16.671 -8.434 1.00 0.56 C ATOM 795 C ASP A 141 -2.494 16.156 -9.703 1.00 0.58 C ATOM 796 O ASP A 141 -2.828 16.915 -10.594 1.00 0.64 O ATOM 797 CB ASP A 141 -1.516 18.173 -8.529 1.00 0.60 C ATOM 798 CG ASP A 141 -2.604 18.960 -7.796 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.766 18.787 -8.125 1.00 1.14 O ATOM 800 OD2 ASP A 141 -2.257 19.723 -6.914 1.00 1.23 O ATOM 0 H ASP A 141 0.247 16.374 -8.929 1.00 0.56 H new ATOM 0 HA ASP A 141 -2.472 16.448 -7.601 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.541 18.393 -8.094 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -1.475 18.479 -9.574 1.00 0.60 H new ATOM 805 N LYS A 142 -2.713 14.864 -9.785 1.00 0.62 N ATOM 806 CA LYS A 142 -3.390 14.292 -10.993 1.00 0.70 C ATOM 807 C LYS A 142 -4.783 14.922 -11.160 1.00 0.79 C ATOM 808 O LYS A 142 -5.285 15.048 -12.261 1.00 0.92 O ATOM 809 CB LYS A 142 -3.485 12.783 -10.732 1.00 0.79 C ATOM 810 CG LYS A 142 -2.467 12.048 -11.615 1.00 0.88 C ATOM 811 CD LYS A 142 -2.458 10.554 -11.267 1.00 1.37 C ATOM 812 CE LYS A 142 -1.662 10.320 -9.976 1.00 1.79 C ATOM 813 NZ LYS A 142 -1.289 8.877 -10.004 1.00 2.44 N1+ ATOM 0 H LYS A 142 -2.453 14.184 -9.071 1.00 0.62 H new ATOM 0 HA LYS A 142 -2.843 14.496 -11.913 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -3.291 12.572 -9.681 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -4.493 12.428 -10.947 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -2.719 12.184 -12.667 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -1.473 12.471 -11.468 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -3.480 10.195 -11.144 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -2.016 9.984 -12.085 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -0.777 10.955 -9.938 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -2.261 10.555 -9.096 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -0.972 8.582 -9.058 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -2.115 8.310 -10.285 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -0.519 8.731 -10.688 1.00 2.44 H new ATOM 827 N ASN A 143 -5.394 15.346 -10.075 1.00 0.80 N ATOM 828 CA ASN A 143 -6.737 16.004 -10.163 1.00 0.95 C ATOM 829 C ASN A 143 -6.569 17.448 -10.689 1.00 0.92 C ATOM 830 O ASN A 143 -7.461 17.999 -11.305 1.00 1.08 O ATOM 831 CB ASN A 143 -7.280 15.964 -8.723 1.00 1.07 C ATOM 832 CG ASN A 143 -7.995 17.268 -8.365 1.00 1.36 C ATOM 833 OD1 ASN A 143 -7.443 18.085 -7.514 1.00 1.95 O flip ATOM 834 ND2 ASN A 143 -9.068 17.544 -8.860 1.00 1.70 N flip ATOM 0 H ASN A 143 -5.017 15.263 -9.131 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.424 15.511 -10.851 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -7.969 15.127 -8.615 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -6.459 15.793 -8.027 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -9.502 16.905 -9.527 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -9.536 18.415 -8.609 1.00 1.70 H new ATOM 841 N ASN A 144 -5.412 18.040 -10.464 1.00 0.86 N ATOM 842 CA ASN A 144 -5.116 19.431 -10.952 1.00 0.93 C ATOM 843 C ASN A 144 -6.076 20.481 -10.368 1.00 1.03 C ATOM 844 O ASN A 144 -7.039 20.879 -10.997 1.00 1.71 O ATOM 845 CB ASN A 144 -5.242 19.368 -12.481 1.00 1.08 C ATOM 846 CG ASN A 144 -3.954 18.803 -13.083 1.00 1.49 C ATOM 847 OD1 ASN A 144 -3.033 19.538 -13.376 1.00 2.18 O ATOM 848 ND2 ASN A 144 -3.850 17.520 -13.286 1.00 1.97 N ATOM 0 H ASN A 144 -4.645 17.606 -9.951 1.00 0.86 H new ATOM 0 HA ASN A 144 -4.122 19.743 -10.631 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -6.090 18.742 -12.760 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -5.435 20.363 -12.881 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -2.996 17.135 -13.690 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -4.622 16.901 -13.041 1.00 1.97 H new ATOM 855 N ASP A 145 -5.789 20.960 -9.183 1.00 0.88 N ATOM 856 CA ASP A 145 -6.648 22.024 -8.564 1.00 0.92 C ATOM 857 C ASP A 145 -5.814 23.278 -8.230 1.00 0.91 C ATOM 858 O ASP A 145 -6.347 24.277 -7.784 1.00 1.07 O ATOM 859 CB ASP A 145 -7.253 21.412 -7.287 1.00 0.93 C ATOM 860 CG ASP A 145 -6.177 20.790 -6.381 1.00 1.40 C ATOM 861 OD1 ASP A 145 -5.010 21.108 -6.539 1.00 1.89 O ATOM 862 OD2 ASP A 145 -6.547 20.001 -5.530 1.00 2.06 O ATOM 0 H ASP A 145 -4.996 20.662 -8.615 1.00 0.88 H new ATOM 0 HA ASP A 145 -7.431 22.343 -9.252 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -7.790 22.183 -6.735 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.982 20.649 -7.561 1.00 0.93 H new ATOM 867 N GLY A 146 -4.514 23.240 -8.447 1.00 0.84 N ATOM 868 CA GLY A 146 -3.664 24.435 -8.150 1.00 0.92 C ATOM 869 C GLY A 146 -2.719 24.166 -6.967 1.00 0.66 C ATOM 870 O GLY A 146 -1.654 24.748 -6.886 1.00 0.74 O ATOM 0 H GLY A 146 -4.011 22.433 -8.816 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -3.080 24.698 -9.032 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -4.301 25.290 -7.923 1.00 0.92 H new ATOM 874 N ARG A 147 -3.089 23.306 -6.045 1.00 0.56 N ATOM 875 CA ARG A 147 -2.191 23.034 -4.874 1.00 0.54 C ATOM 876 C ARG A 147 -2.167 21.541 -4.527 1.00 0.46 C ATOM 877 O ARG A 147 -3.195 20.894 -4.429 1.00 0.45 O ATOM 878 CB ARG A 147 -2.787 23.840 -3.715 1.00 0.77 C ATOM 879 CG ARG A 147 -2.161 25.236 -3.682 1.00 1.39 C ATOM 880 CD ARG A 147 -0.729 25.143 -3.149 1.00 1.79 C ATOM 881 NE ARG A 147 -0.217 26.542 -3.203 1.00 2.55 N ATOM 882 CZ ARG A 147 -0.028 27.215 -2.103 1.00 2.87 C ATOM 883 NH1 ARG A 147 -0.996 27.338 -1.237 1.00 3.10 N ATOM 884 NH2 ARG A 147 1.130 27.768 -1.874 1.00 3.37 N1+ ATOM 0 H ARG A 147 -3.966 22.785 -6.052 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.160 23.317 -5.089 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -3.868 23.918 -3.832 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -2.605 23.327 -2.771 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -2.160 25.669 -4.682 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -2.753 25.897 -3.049 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -0.709 24.752 -2.132 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -0.121 24.475 -3.759 1.00 1.79 H new ATOM 0 HE ARG A 147 -0.014 26.974 -4.104 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -1.902 26.907 -1.420 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -0.847 27.865 -0.377 1.00 3.10 H new ATOM 0 HH21 ARG A 147 1.884 27.673 -2.554 1.00 3.37 H new ATOM 0 HH22 ARG A 147 1.282 28.296 -1.014 1.00 3.37 H new ATOM 898 N ILE A 148 -0.993 20.994 -4.332 1.00 0.49 N ATOM 899 CA ILE A 148 -0.884 19.543 -3.985 1.00 0.44 C ATOM 900 C ILE A 148 -1.254 19.316 -2.518 1.00 0.46 C ATOM 901 O ILE A 148 -0.822 20.038 -1.639 1.00 0.63 O ATOM 902 CB ILE A 148 0.582 19.169 -4.223 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.940 19.390 -5.693 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.802 17.694 -3.869 1.00 0.47 C ATOM 905 CD1 ILE A 148 2.442 19.175 -5.885 1.00 0.63 C ATOM 0 H ILE A 148 -0.104 21.490 -4.398 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.560 18.935 -4.586 1.00 0.44 H new ATOM 0 HB ILE A 148 1.215 19.796 -3.595 1.00 0.46 H new ATOM 0 HG12 ILE A 148 0.379 18.700 -6.324 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.663 20.399 -5.999 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.846 17.431 -4.039 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.553 17.530 -2.821 1.00 0.47 H new ATOM 0 HG23 ILE A 148 0.164 17.070 -4.495 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.701 19.332 -6.932 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.993 19.882 -5.265 1.00 0.63 H new ATOM 0 HD13 ILE A 148 2.704 18.158 -5.595 1.00 0.63 H new ATOM 917 N ASP A 149 -2.040 18.310 -2.251 1.00 0.48 N ATOM 918 CA ASP A 149 -2.438 18.014 -0.844 1.00 0.53 C ATOM 919 C ASP A 149 -1.995 16.598 -0.456 1.00 0.53 C ATOM 920 O ASP A 149 -1.641 15.792 -1.298 1.00 0.63 O ATOM 921 CB ASP A 149 -3.970 18.140 -0.803 1.00 0.58 C ATOM 922 CG ASP A 149 -4.597 17.493 -2.040 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.671 16.280 -2.076 1.00 1.84 O ATOM 924 OD2 ASP A 149 -4.987 18.227 -2.931 1.00 1.65 O ATOM 0 H ASP A 149 -2.426 17.676 -2.950 1.00 0.48 H new ATOM 0 HA ASP A 149 -1.969 18.699 -0.138 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.355 17.663 0.098 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.253 19.192 -0.753 1.00 0.58 H new ATOM 929 N TYR A 150 -2.014 16.299 0.815 1.00 0.58 N ATOM 930 CA TYR A 150 -1.597 14.941 1.285 1.00 0.60 C ATOM 931 C TYR A 150 -2.564 13.867 0.759 1.00 0.59 C ATOM 932 O TYR A 150 -2.170 12.745 0.499 1.00 0.63 O ATOM 933 CB TYR A 150 -1.658 15.034 2.814 1.00 0.73 C ATOM 934 CG TYR A 150 -1.413 13.678 3.429 1.00 0.72 C ATOM 935 CD1 TYR A 150 -0.105 13.200 3.578 1.00 1.15 C ATOM 936 CD2 TYR A 150 -2.494 12.903 3.860 1.00 1.22 C ATOM 937 CE1 TYR A 150 0.119 11.944 4.156 1.00 1.43 C ATOM 938 CE2 TYR A 150 -2.270 11.649 4.438 1.00 1.56 C ATOM 939 CZ TYR A 150 -0.963 11.170 4.587 1.00 1.48 C ATOM 940 OH TYR A 150 -0.741 9.934 5.158 1.00 1.96 O ATOM 0 H TYR A 150 -2.302 16.940 1.555 1.00 0.58 H new ATOM 0 HA TYR A 150 -0.606 14.659 0.928 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -0.913 15.744 3.172 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -2.632 15.411 3.124 1.00 0.73 H new ATOM 0 HD1 TYR A 150 0.730 13.799 3.247 1.00 1.15 H new ATOM 0 HD2 TYR A 150 -3.502 13.273 3.747 1.00 1.22 H new ATOM 0 HE1 TYR A 150 1.127 11.573 4.269 1.00 1.43 H new ATOM 0 HE2 TYR A 150 -3.106 11.050 4.769 1.00 1.56 H new ATOM 0 HH TYR A 150 -1.599 9.528 5.403 1.00 1.96 H new ATOM 950 N ASP A 151 -3.820 14.208 0.601 1.00 0.64 N ATOM 951 CA ASP A 151 -4.823 13.218 0.092 1.00 0.70 C ATOM 952 C ASP A 151 -4.401 12.683 -1.286 1.00 0.63 C ATOM 953 O ASP A 151 -4.420 11.488 -1.524 1.00 0.77 O ATOM 954 CB ASP A 151 -6.137 14.000 -0.005 1.00 0.79 C ATOM 955 CG ASP A 151 -6.600 14.409 1.397 1.00 1.24 C ATOM 956 OD1 ASP A 151 -6.209 15.477 1.842 1.00 1.83 O ATOM 957 OD2 ASP A 151 -7.336 13.648 2.002 1.00 1.90 O ATOM 0 H ASP A 151 -4.196 15.134 0.804 1.00 0.64 H new ATOM 0 HA ASP A 151 -4.914 12.350 0.746 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -5.999 14.885 -0.626 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -6.900 13.389 -0.487 1.00 0.79 H new ATOM 962 N GLU A 152 -4.001 13.551 -2.187 1.00 0.54 N ATOM 963 CA GLU A 152 -3.561 13.080 -3.536 1.00 0.56 C ATOM 964 C GLU A 152 -2.124 12.543 -3.456 1.00 0.52 C ATOM 965 O GLU A 152 -1.711 11.731 -4.262 1.00 0.65 O ATOM 966 CB GLU A 152 -3.627 14.316 -4.440 1.00 0.60 C ATOM 967 CG GLU A 152 -4.950 14.325 -5.216 1.00 0.77 C ATOM 968 CD GLU A 152 -5.207 15.721 -5.791 1.00 0.72 C ATOM 969 OE1 GLU A 152 -4.566 16.067 -6.769 1.00 1.17 O ATOM 970 OE2 GLU A 152 -6.039 16.423 -5.245 1.00 1.40 O ATOM 0 H GLU A 152 -3.961 14.560 -2.045 1.00 0.54 H new ATOM 0 HA GLU A 152 -4.186 12.273 -3.917 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.541 15.222 -3.839 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.788 14.314 -5.135 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -4.914 13.591 -6.021 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.770 14.037 -4.558 1.00 0.77 H new ATOM 977 N PHE A 153 -1.364 12.995 -2.482 1.00 0.46 N ATOM 978 CA PHE A 153 0.048 12.523 -2.327 1.00 0.46 C ATOM 979 C PHE A 153 0.099 11.004 -2.089 1.00 0.50 C ATOM 980 O PHE A 153 1.019 10.341 -2.521 1.00 0.64 O ATOM 981 CB PHE A 153 0.590 13.289 -1.114 1.00 0.49 C ATOM 982 CG PHE A 153 2.025 13.672 -1.364 1.00 0.48 C ATOM 983 CD1 PHE A 153 2.329 14.887 -1.985 1.00 0.62 C ATOM 984 CD2 PHE A 153 3.050 12.808 -0.979 1.00 0.52 C ATOM 985 CE1 PHE A 153 3.661 15.237 -2.221 1.00 0.73 C ATOM 986 CE2 PHE A 153 4.382 13.156 -1.211 1.00 0.61 C ATOM 987 CZ PHE A 153 4.689 14.371 -1.832 1.00 0.68 C ATOM 0 H PHE A 153 -1.666 13.675 -1.785 1.00 0.46 H new ATOM 0 HA PHE A 153 0.641 12.707 -3.223 1.00 0.46 H new ATOM 0 HB2 PHE A 153 -0.010 14.181 -0.936 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.518 12.672 -0.218 1.00 0.49 H new ATOM 0 HD1 PHE A 153 1.534 15.555 -2.282 1.00 0.62 H new ATOM 0 HD2 PHE A 153 2.813 11.869 -0.501 1.00 0.52 H new ATOM 0 HE1 PHE A 153 3.897 16.174 -2.703 1.00 0.73 H new ATOM 0 HE2 PHE A 153 5.175 12.487 -0.911 1.00 0.61 H new ATOM 0 HZ PHE A 153 5.719 14.641 -2.011 1.00 0.68 H new ATOM 997 N LEU A 154 -0.882 10.445 -1.418 1.00 0.53 N ATOM 998 CA LEU A 154 -0.878 8.965 -1.174 1.00 0.62 C ATOM 999 C LEU A 154 -0.995 8.220 -2.509 1.00 0.65 C ATOM 1000 O LEU A 154 -0.174 7.381 -2.827 1.00 0.83 O ATOM 1001 CB LEU A 154 -2.090 8.702 -0.273 1.00 0.75 C ATOM 1002 CG LEU A 154 -1.648 8.669 1.199 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -0.593 9.751 1.457 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -2.858 8.927 2.097 1.00 1.20 C ATOM 0 H LEU A 154 -1.681 10.946 -1.031 1.00 0.53 H new ATOM 0 HA LEU A 154 0.041 8.617 -0.703 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -2.839 9.480 -0.420 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -2.557 7.755 -0.543 1.00 0.75 H new ATOM 0 HG LEU A 154 -1.221 7.691 1.419 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -0.287 9.719 2.503 1.00 1.65 H new ATOM 0 HD12 LEU A 154 0.273 9.574 0.820 1.00 1.65 H new ATOM 0 HD13 LEU A 154 -1.014 10.731 1.232 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -2.547 8.904 3.142 1.00 1.20 H new ATOM 0 HD22 LEU A 154 -3.281 9.905 1.866 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -3.610 8.157 1.925 1.00 1.20 H new ATOM 1016 N GLU A 155 -1.985 8.543 -3.307 1.00 0.69 N ATOM 1017 CA GLU A 155 -2.118 7.872 -4.638 1.00 0.81 C ATOM 1018 C GLU A 155 -0.924 8.266 -5.523 1.00 0.76 C ATOM 1019 O GLU A 155 -0.448 7.485 -6.323 1.00 0.90 O ATOM 1020 CB GLU A 155 -3.433 8.387 -5.238 1.00 0.97 C ATOM 1021 CG GLU A 155 -3.958 7.374 -6.264 1.00 1.41 C ATOM 1022 CD GLU A 155 -3.418 7.716 -7.656 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -3.735 8.785 -8.150 1.00 2.77 O ATOM 1024 OE2 GLU A 155 -2.701 6.898 -8.210 1.00 2.57 O ATOM 0 H GLU A 155 -2.702 9.237 -3.096 1.00 0.69 H new ATOM 0 HA GLU A 155 -2.127 6.785 -4.557 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -4.170 8.538 -4.450 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -3.274 9.354 -5.715 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -3.652 6.366 -5.983 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -5.048 7.385 -6.274 1.00 1.41 H new ATOM 1031 N PHE A 156 -0.430 9.473 -5.362 1.00 0.66 N ATOM 1032 CA PHE A 156 0.744 9.932 -6.166 1.00 0.77 C ATOM 1033 C PHE A 156 1.984 9.099 -5.801 1.00 0.71 C ATOM 1034 O PHE A 156 2.632 8.538 -6.662 1.00 0.88 O ATOM 1035 CB PHE A 156 0.917 11.414 -5.789 1.00 0.84 C ATOM 1036 CG PHE A 156 2.374 11.817 -5.843 1.00 1.01 C ATOM 1037 CD1 PHE A 156 3.061 11.799 -7.060 1.00 1.49 C ATOM 1038 CD2 PHE A 156 3.034 12.212 -4.674 1.00 1.09 C ATOM 1039 CE1 PHE A 156 4.406 12.176 -7.110 1.00 1.72 C ATOM 1040 CE2 PHE A 156 4.379 12.587 -4.724 1.00 1.31 C ATOM 1041 CZ PHE A 156 5.065 12.568 -5.942 1.00 1.53 C ATOM 0 H PHE A 156 -0.794 10.162 -4.703 1.00 0.66 H new ATOM 0 HA PHE A 156 0.603 9.812 -7.240 1.00 0.77 H new ATOM 0 HB2 PHE A 156 0.338 12.037 -6.470 1.00 0.84 H new ATOM 0 HB3 PHE A 156 0.524 11.587 -4.787 1.00 0.84 H new ATOM 0 HD1 PHE A 156 2.552 11.494 -7.962 1.00 1.49 H new ATOM 0 HD2 PHE A 156 2.504 12.227 -3.733 1.00 1.09 H new ATOM 0 HE1 PHE A 156 4.936 12.164 -8.051 1.00 1.72 H new ATOM 0 HE2 PHE A 156 4.889 12.892 -3.822 1.00 1.31 H new ATOM 0 HZ PHE A 156 6.105 12.857 -5.980 1.00 1.53 H new ATOM 1051 N MET A 157 2.305 8.997 -4.531 1.00 0.61 N ATOM 1052 CA MET A 157 3.492 8.178 -4.121 1.00 0.69 C ATOM 1053 C MET A 157 3.278 6.707 -4.518 1.00 0.83 C ATOM 1054 O MET A 157 4.221 5.973 -4.745 1.00 1.17 O ATOM 1055 CB MET A 157 3.574 8.321 -2.595 1.00 0.84 C ATOM 1056 CG MET A 157 4.140 9.699 -2.231 1.00 0.92 C ATOM 1057 SD MET A 157 5.785 9.894 -2.966 1.00 1.56 S ATOM 1058 CE MET A 157 6.725 9.959 -1.422 1.00 0.90 C ATOM 0 H MET A 157 1.800 9.443 -3.765 1.00 0.61 H new ATOM 0 HA MET A 157 4.410 8.509 -4.605 1.00 0.69 H new ATOM 0 HB2 MET A 157 2.584 8.197 -2.155 1.00 0.84 H new ATOM 0 HB3 MET A 157 4.208 7.537 -2.181 1.00 0.84 H new ATOM 0 HG2 MET A 157 3.474 10.483 -2.591 1.00 0.92 H new ATOM 0 HG3 MET A 157 4.200 9.804 -1.148 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.665 10.485 -1.590 1.00 0.90 H new ATOM 0 HE2 MET A 157 6.145 10.486 -0.665 1.00 0.90 H new ATOM 0 HE3 MET A 157 6.933 8.945 -1.080 1.00 0.90 H new ATOM 1068 N LYS A 158 2.039 6.283 -4.611 1.00 0.86 N ATOM 1069 CA LYS A 158 1.739 4.869 -5.000 1.00 1.07 C ATOM 1070 C LYS A 158 2.079 4.623 -6.485 1.00 1.36 C ATOM 1071 O LYS A 158 2.352 3.505 -6.880 1.00 1.73 O ATOM 1072 CB LYS A 158 0.229 4.708 -4.726 1.00 1.28 C ATOM 1073 CG LYS A 158 -0.417 3.755 -5.742 1.00 1.66 C ATOM 1074 CD LYS A 158 -1.008 4.569 -6.897 1.00 2.24 C ATOM 1075 CE LYS A 158 -1.495 3.626 -8.000 1.00 2.85 C ATOM 1076 NZ LYS A 158 -1.550 4.469 -9.231 1.00 3.52 N1+ ATOM 0 H LYS A 158 1.218 6.861 -4.433 1.00 0.86 H new ATOM 0 HA LYS A 158 2.332 4.145 -4.442 1.00 1.07 H new ATOM 0 HB2 LYS A 158 0.078 4.326 -3.717 1.00 1.28 H new ATOM 0 HB3 LYS A 158 -0.259 5.682 -4.774 1.00 1.28 H new ATOM 0 HG2 LYS A 158 0.325 3.052 -6.120 1.00 1.66 H new ATOM 0 HG3 LYS A 158 -1.198 3.167 -5.260 1.00 1.66 H new ATOM 0 HD2 LYS A 158 -1.835 5.180 -6.537 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -0.257 5.251 -7.295 1.00 2.24 H new ATOM 0 HE2 LYS A 158 -0.815 2.784 -8.128 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -2.474 3.211 -7.761 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -2.134 3.996 -9.950 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -1.967 5.394 -9.000 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -0.588 4.606 -9.601 1.00 3.52 H new ATOM 1090 N GLY A 159 2.057 5.646 -7.313 1.00 1.73 N ATOM 1091 CA GLY A 159 2.371 5.440 -8.763 1.00 2.35 C ATOM 1092 C GLY A 159 3.381 6.484 -9.259 1.00 2.13 C ATOM 1093 O GLY A 159 3.184 7.093 -10.292 1.00 2.59 O ATOM 0 H GLY A 159 1.837 6.606 -7.048 1.00 1.73 H new ATOM 0 HA2 GLY A 159 2.774 4.438 -8.913 1.00 2.35 H new ATOM 0 HA3 GLY A 159 1.455 5.506 -9.350 1.00 2.35 H new ATOM 1097 N VAL A 160 4.465 6.681 -8.548 1.00 1.87 N ATOM 1098 CA VAL A 160 5.493 7.675 -9.002 1.00 1.87 C ATOM 1099 C VAL A 160 6.907 7.112 -8.788 1.00 2.39 C ATOM 1100 O VAL A 160 7.145 6.326 -7.888 1.00 3.11 O ATOM 1101 CB VAL A 160 5.257 8.939 -8.157 1.00 1.68 C ATOM 1102 CG1 VAL A 160 5.722 8.716 -6.714 1.00 1.89 C ATOM 1103 CG2 VAL A 160 6.041 10.111 -8.762 1.00 1.76 C ATOM 0 H VAL A 160 4.684 6.199 -7.676 1.00 1.87 H new ATOM 0 HA VAL A 160 5.406 7.897 -10.065 1.00 1.87 H new ATOM 0 HB VAL A 160 4.190 9.163 -8.155 1.00 1.68 H new ATOM 0 HG11 VAL A 160 5.547 9.621 -6.132 1.00 1.89 H new ATOM 0 HG12 VAL A 160 5.164 7.889 -6.276 1.00 1.89 H new ATOM 0 HG13 VAL A 160 6.786 8.480 -6.707 1.00 1.89 H new ATOM 0 HG21 VAL A 160 5.875 11.007 -8.164 1.00 1.76 H new ATOM 0 HG22 VAL A 160 7.104 9.872 -8.770 1.00 1.76 H new ATOM 0 HG23 VAL A 160 5.702 10.287 -9.783 1.00 1.76 H new ATOM 1113 N GLU A 161 7.842 7.503 -9.618 1.00 2.52 N ATOM 1114 CA GLU A 161 9.242 6.992 -9.480 1.00 3.28 C ATOM 1115 C GLU A 161 10.083 7.935 -8.605 1.00 3.90 C ATOM 1116 O GLU A 161 9.910 9.139 -8.716 1.00 4.34 O ATOM 1117 CB GLU A 161 9.791 6.946 -10.911 1.00 3.49 C ATOM 1118 CG GLU A 161 9.618 5.534 -11.481 1.00 4.11 C ATOM 1119 CD GLU A 161 8.137 5.266 -11.760 1.00 4.29 C ATOM 1120 OE1 GLU A 161 7.649 5.737 -12.774 1.00 4.56 O ATOM 1121 OE2 GLU A 161 7.516 4.592 -10.955 1.00 4.60 O ATOM 1122 OXT GLU A 161 10.890 7.433 -7.840 1.00 4.37 O ATOM 0 H GLU A 161 7.696 8.156 -10.388 1.00 2.52 H new ATOM 0 HA GLU A 161 9.274 6.015 -8.998 1.00 3.28 H new ATOM 0 HB2 GLU A 161 9.267 7.669 -11.536 1.00 3.49 H new ATOM 0 HB3 GLU A 161 10.845 7.225 -10.917 1.00 3.49 H new ATOM 0 HG2 GLU A 161 10.195 5.429 -12.400 1.00 4.11 H new ATOM 0 HG3 GLU A 161 10.004 4.797 -10.776 1.00 4.11 H new TER 1129 GLU A 161 HETATM 1130 CA CA A 1 2.769 25.600 1.018 1.00 0.75 CA HETATM 1131 CA CA A 2 -4.364 18.570 -5.471 1.00 0.00 CA HETATM 1132 C1 STL A 162 11.448 9.395 -2.301 1.00 20.00 C HETATM 1133 C2 STL A 162 11.981 8.319 -3.030 1.00 20.00 C HETATM 1134 C3 STL A 162 11.876 8.293 -4.425 1.00 20.00 C HETATM 1135 C4 STL A 162 11.236 9.346 -5.104 1.00 20.00 C HETATM 1136 C5 STL A 162 10.696 10.429 -4.386 1.00 20.00 C HETATM 1137 C6 STL A 162 10.805 10.453 -2.982 1.00 20.00 C HETATM 1138 C7 STL A 162 10.043 11.488 -5.014 1.00 20.00 C HETATM 1139 C8 STL A 162 9.207 12.423 -4.376 1.00 20.00 C HETATM 1140 C9 STL A 162 8.529 13.496 -4.945 1.00 20.00 C HETATM 1141 C10 STL A 162 8.565 13.794 -6.328 1.00 20.00 C HETATM 1142 C11 STL A 162 7.842 14.904 -6.826 1.00 20.00 C HETATM 1143 C12 STL A 162 7.103 15.687 -5.913 1.00 20.00 C HETATM 1144 C13 STL A 162 7.062 15.398 -4.530 1.00 20.00 C HETATM 1145 C14 STL A 162 7.782 14.293 -4.044 1.00 20.00 C HETATM 1146 O1 STL A 162 6.410 16.752 -6.382 1.00 20.00 O HETATM 1147 O2 STL A 162 12.389 7.255 -5.134 1.00 20.00 O HETATM 1148 O3 STL A 162 11.549 9.422 -0.953 1.00 20.00 O HETATM 0 HO3 STL A 162 11.906 10.290 -0.669 1.00 20.00 H new HETATM 0 HO2 STL A 162 11.970 7.225 -6.019 1.00 20.00 H new HETATM 0 HO1 STL A 162 5.459 16.642 -6.171 1.00 20.00 H new HETATM 0 H8 STL A 162 9.074 12.290 -3.302 1.00 20.00 H new HETATM 0 H7 STL A 162 10.192 11.601 -6.088 1.00 20.00 H new HETATM 0 H6 STL A 162 10.392 11.290 -2.419 1.00 20.00 H new HETATM 0 H4 STL A 162 11.158 9.323 -6.191 1.00 20.00 H new HETATM 0 H2 STL A 162 12.478 7.502 -2.507 1.00 20.00 H new HETATM 0 H14 STL A 162 7.765 14.051 -2.981 1.00 20.00 H new HETATM 0 H13 STL A 162 6.481 16.022 -3.851 1.00 20.00 H new HETATM 0 H11 STL A 162 7.855 15.148 -7.888 1.00 20.00 H new HETATM 0 H10 STL A 162 9.147 13.171 -7.007 1.00 20.00 H new