USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=19 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 -179:sc= 0 (180deg=-0.000989) USER MOD Single : A 92 LYS NZ :NH3+ 164:sc= 1.19 (180deg=0.954) USER MOD Single : A 93 SER OG : rot 180:sc= -0.148 USER MOD Single : A 98 SER OG : rot -77:sc= -0.0646 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -168:sc= -0.039 (180deg=-0.298) USER MOD Single : A 107 ASN : amide:sc= -0.161 X(o=-0.16,f=-0.17) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= -0.973 (180deg=-0.973) USER MOD Single : A 120 MET CE :methyl -133:sc= -2.51! (180deg=-3.21!) USER MOD Single : A 122 GLN : amide:sc=-0.00858 X(o=-0.0086,f=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 127 THR OG1 : rot 50:sc= -0.166 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl -166:sc= -5.04 (180deg=-5.71!) USER MOD Single : A 138 LYS NZ :NH3+ 160:sc= 1.21 (180deg=1.14) USER MOD Single : A 142 LYS NZ :NH3+ -178:sc= 2.13 (180deg=2) USER MOD Single : A 143 ASN : amide:sc= -0.265 X(o=-0.26,f=-0.24) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl -177:sc= -2.52! (180deg=-2.57!) USER MOD Single : A 158 LYS NZ :NH3+ 164:sc= 1.37 (180deg=0.764) USER MOD Single : A 162 STL O1 : rot 180:sc= -2 USER MOD Single : A 162 STL O2 : rot 180:sc= 0 USER MOD Single : A 162 STL O3 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 90 11.277 5.354 4.543 1.00 2.87 N ATOM 2 CA MET A 90 11.224 6.085 3.237 1.00 2.20 C ATOM 3 C MET A 90 9.832 5.939 2.600 1.00 1.76 C ATOM 4 O MET A 90 8.895 5.516 3.245 1.00 2.23 O ATOM 5 CB MET A 90 12.308 5.438 2.358 1.00 2.68 C ATOM 6 CG MET A 90 11.948 3.979 2.049 1.00 3.11 C ATOM 7 SD MET A 90 13.407 2.938 2.299 1.00 4.08 S ATOM 8 CE MET A 90 14.278 3.391 0.778 1.00 4.71 C ATOM 0 HA MET A 90 11.400 7.154 3.358 1.00 2.20 H new ATOM 0 HB2 MET A 90 12.413 5.998 1.429 1.00 2.68 H new ATOM 0 HB3 MET A 90 13.271 5.481 2.867 1.00 2.68 H new ATOM 0 HG2 MET A 90 11.136 3.648 2.696 1.00 3.11 H new ATOM 0 HG3 MET A 90 11.594 3.889 1.022 1.00 3.11 H new ATOM 0 HE1 MET A 90 15.216 2.840 0.718 1.00 4.71 H new ATOM 0 HE2 MET A 90 13.657 3.146 -0.084 1.00 4.71 H new ATOM 0 HE3 MET A 90 14.486 4.461 0.783 1.00 4.71 H new ATOM 20 N GLY A 91 9.693 6.288 1.342 1.00 1.61 N ATOM 21 CA GLY A 91 8.363 6.170 0.664 1.00 1.31 C ATOM 22 C GLY A 91 7.893 4.712 0.698 1.00 1.37 C ATOM 23 O GLY A 91 8.315 3.898 -0.101 1.00 1.61 O ATOM 0 H GLY A 91 10.445 6.650 0.755 1.00 1.61 H new ATOM 0 HA2 GLY A 91 7.633 6.809 1.161 1.00 1.31 H new ATOM 0 HA3 GLY A 91 8.438 6.514 -0.368 1.00 1.31 H new ATOM 27 N LYS A 92 7.034 4.377 1.628 1.00 1.27 N ATOM 28 CA LYS A 92 6.541 2.971 1.733 1.00 1.47 C ATOM 29 C LYS A 92 5.090 2.955 2.230 1.00 1.40 C ATOM 30 O LYS A 92 4.192 2.521 1.534 1.00 1.56 O ATOM 31 CB LYS A 92 7.479 2.319 2.755 1.00 1.61 C ATOM 32 CG LYS A 92 7.143 0.831 2.909 1.00 1.94 C ATOM 33 CD LYS A 92 6.457 0.595 4.258 1.00 2.31 C ATOM 34 CE LYS A 92 7.511 0.490 5.362 1.00 2.59 C ATOM 35 NZ LYS A 92 6.867 1.087 6.569 1.00 3.20 N1+ ATOM 0 H LYS A 92 6.652 5.020 2.321 1.00 1.27 H new ATOM 0 HA LYS A 92 6.545 2.446 0.778 1.00 1.47 H new ATOM 0 HB2 LYS A 92 8.514 2.434 2.434 1.00 1.61 H new ATOM 0 HB3 LYS A 92 7.386 2.822 3.718 1.00 1.61 H new ATOM 0 HG2 LYS A 92 6.491 0.509 2.097 1.00 1.94 H new ATOM 0 HG3 LYS A 92 8.053 0.234 2.843 1.00 1.94 H new ATOM 0 HD2 LYS A 92 5.769 1.413 4.475 1.00 2.31 H new ATOM 0 HD3 LYS A 92 5.864 -0.319 4.220 1.00 2.31 H new ATOM 0 HE2 LYS A 92 7.795 -0.547 5.539 1.00 2.59 H new ATOM 0 HE3 LYS A 92 8.420 1.028 5.093 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 7.402 0.815 7.418 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 6.859 2.123 6.482 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 5.890 0.739 6.649 1.00 3.20 H new ATOM 49 N SER A 93 4.857 3.431 3.428 1.00 1.38 N ATOM 50 CA SER A 93 3.469 3.454 3.980 1.00 1.40 C ATOM 51 C SER A 93 3.216 4.786 4.697 1.00 1.20 C ATOM 52 O SER A 93 4.078 5.643 4.746 1.00 1.08 O ATOM 53 CB SER A 93 3.414 2.290 4.972 1.00 1.60 C ATOM 54 OG SER A 93 3.383 1.062 4.256 1.00 2.20 O ATOM 0 H SER A 93 5.573 3.806 4.050 1.00 1.38 H new ATOM 0 HA SER A 93 2.711 3.358 3.203 1.00 1.40 H new ATOM 0 HB2 SER A 93 4.282 2.318 5.631 1.00 1.60 H new ATOM 0 HB3 SER A 93 2.530 2.378 5.604 1.00 1.60 H new ATOM 0 HG SER A 93 3.350 0.315 4.889 1.00 2.20 H new ATOM 60 N GLU A 94 2.043 4.962 5.254 1.00 1.26 N ATOM 61 CA GLU A 94 1.726 6.239 5.973 1.00 1.17 C ATOM 62 C GLU A 94 2.724 6.504 7.114 1.00 1.12 C ATOM 63 O GLU A 94 2.878 7.628 7.557 1.00 1.09 O ATOM 64 CB GLU A 94 0.313 6.045 6.519 1.00 1.33 C ATOM 65 CG GLU A 94 -0.688 6.686 5.551 1.00 1.28 C ATOM 66 CD GLU A 94 -1.549 5.599 4.907 1.00 1.44 C ATOM 67 OE1 GLU A 94 -1.024 4.860 4.091 1.00 1.94 O ATOM 68 OE2 GLU A 94 -2.719 5.526 5.240 1.00 2.09 O ATOM 0 H GLU A 94 1.288 4.276 5.243 1.00 1.26 H new ATOM 0 HA GLU A 94 1.796 7.102 5.310 1.00 1.17 H new ATOM 0 HB2 GLU A 94 0.097 4.983 6.636 1.00 1.33 H new ATOM 0 HB3 GLU A 94 0.225 6.498 7.506 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -1.320 7.396 6.084 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -0.157 7.246 4.782 1.00 1.28 H new ATOM 75 N GLU A 95 3.417 5.487 7.580 1.00 1.19 N ATOM 76 CA GLU A 95 4.419 5.691 8.676 1.00 1.23 C ATOM 77 C GLU A 95 5.462 6.726 8.229 1.00 1.03 C ATOM 78 O GLU A 95 5.705 7.707 8.904 1.00 1.01 O ATOM 79 CB GLU A 95 5.083 4.323 8.889 1.00 1.45 C ATOM 80 CG GLU A 95 4.077 3.333 9.490 1.00 1.90 C ATOM 81 CD GLU A 95 3.558 2.399 8.394 1.00 2.12 C ATOM 82 OE1 GLU A 95 4.279 1.484 8.031 1.00 2.66 O ATOM 83 OE2 GLU A 95 2.452 2.619 7.933 1.00 2.49 O ATOM 0 H GLU A 95 3.331 4.526 7.248 1.00 1.19 H new ATOM 0 HA GLU A 95 3.959 6.058 9.594 1.00 1.23 H new ATOM 0 HB2 GLU A 95 5.457 3.941 7.939 1.00 1.45 H new ATOM 0 HB3 GLU A 95 5.942 4.427 9.552 1.00 1.45 H new ATOM 0 HG2 GLU A 95 4.551 2.753 10.282 1.00 1.90 H new ATOM 0 HG3 GLU A 95 3.247 3.874 9.944 1.00 1.90 H new ATOM 90 N GLU A 96 6.065 6.514 7.082 1.00 1.02 N ATOM 91 CA GLU A 96 7.084 7.484 6.569 1.00 0.94 C ATOM 92 C GLU A 96 6.413 8.517 5.649 1.00 0.79 C ATOM 93 O GLU A 96 6.897 9.624 5.494 1.00 0.82 O ATOM 94 CB GLU A 96 8.093 6.643 5.778 1.00 1.15 C ATOM 95 CG GLU A 96 8.598 5.476 6.637 1.00 1.62 C ATOM 96 CD GLU A 96 8.253 4.150 5.956 1.00 1.99 C ATOM 97 OE1 GLU A 96 7.078 3.823 5.898 1.00 2.78 O ATOM 98 OE2 GLU A 96 9.169 3.484 5.503 1.00 2.18 O ATOM 0 H GLU A 96 5.894 5.709 6.479 1.00 1.02 H new ATOM 0 HA GLU A 96 7.565 8.034 7.378 1.00 0.94 H new ATOM 0 HB2 GLU A 96 7.626 6.261 4.870 1.00 1.15 H new ATOM 0 HB3 GLU A 96 8.932 7.265 5.467 1.00 1.15 H new ATOM 0 HG2 GLU A 96 9.676 5.555 6.777 1.00 1.62 H new ATOM 0 HG3 GLU A 96 8.144 5.517 7.627 1.00 1.62 H new ATOM 105 N LEU A 97 5.300 8.161 5.043 1.00 0.77 N ATOM 106 CA LEU A 97 4.578 9.115 4.137 1.00 0.71 C ATOM 107 C LEU A 97 4.318 10.440 4.867 1.00 0.67 C ATOM 108 O LEU A 97 4.416 11.506 4.288 1.00 0.75 O ATOM 109 CB LEU A 97 3.249 8.421 3.802 1.00 0.80 C ATOM 110 CG LEU A 97 3.259 7.868 2.368 1.00 0.77 C ATOM 111 CD1 LEU A 97 2.974 9.003 1.385 1.00 1.40 C ATOM 112 CD2 LEU A 97 4.619 7.232 2.045 1.00 1.22 C ATOM 0 H LEU A 97 4.860 7.246 5.139 1.00 0.77 H new ATOM 0 HA LEU A 97 5.154 9.348 3.241 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.072 7.609 4.507 1.00 0.80 H new ATOM 0 HB3 LEU A 97 2.427 9.128 3.917 1.00 0.80 H new ATOM 0 HG LEU A 97 2.488 7.102 2.280 1.00 0.77 H new ATOM 0 HD11 LEU A 97 2.981 8.613 0.367 1.00 1.40 H new ATOM 0 HD12 LEU A 97 1.997 9.435 1.602 1.00 1.40 H new ATOM 0 HD13 LEU A 97 3.741 9.771 1.484 1.00 1.40 H new ATOM 0 HD21 LEU A 97 4.607 6.846 1.026 1.00 1.22 H new ATOM 0 HD22 LEU A 97 5.403 7.983 2.140 1.00 1.22 H new ATOM 0 HD23 LEU A 97 4.813 6.415 2.740 1.00 1.22 H new ATOM 124 N SER A 98 4.000 10.375 6.140 1.00 0.69 N ATOM 125 CA SER A 98 3.747 11.626 6.919 1.00 0.76 C ATOM 126 C SER A 98 5.030 12.465 6.992 1.00 0.72 C ATOM 127 O SER A 98 4.996 13.665 6.818 1.00 0.77 O ATOM 128 CB SER A 98 3.314 11.156 8.313 1.00 0.92 C ATOM 129 OG SER A 98 4.397 10.490 8.953 1.00 1.57 O ATOM 0 H SER A 98 3.905 9.509 6.671 1.00 0.69 H new ATOM 0 HA SER A 98 2.985 12.255 6.460 1.00 0.76 H new ATOM 0 HB2 SER A 98 2.994 12.009 8.912 1.00 0.92 H new ATOM 0 HB3 SER A 98 2.459 10.485 8.232 1.00 0.92 H new ATOM 0 HG SER A 98 4.486 9.585 8.588 1.00 1.57 H new ATOM 135 N ASP A 99 6.159 11.839 7.233 1.00 0.80 N ATOM 136 CA ASP A 99 7.449 12.599 7.301 1.00 0.86 C ATOM 137 C ASP A 99 7.817 13.141 5.913 1.00 0.81 C ATOM 138 O ASP A 99 8.218 14.281 5.774 1.00 0.91 O ATOM 139 CB ASP A 99 8.492 11.584 7.779 1.00 1.02 C ATOM 140 CG ASP A 99 8.709 11.743 9.283 1.00 1.23 C ATOM 141 OD1 ASP A 99 9.511 12.581 9.660 1.00 1.79 O ATOM 142 OD2 ASP A 99 8.066 11.029 10.034 1.00 1.83 O ATOM 0 H ASP A 99 6.242 10.834 7.386 1.00 0.80 H new ATOM 0 HA ASP A 99 7.386 13.457 7.971 1.00 0.86 H new ATOM 0 HB2 ASP A 99 8.158 10.571 7.554 1.00 1.02 H new ATOM 0 HB3 ASP A 99 9.432 11.735 7.248 1.00 1.02 H new ATOM 147 N LEU A 100 7.670 12.336 4.882 1.00 0.75 N ATOM 148 CA LEU A 100 7.998 12.813 3.497 1.00 0.76 C ATOM 149 C LEU A 100 7.151 14.047 3.152 1.00 0.68 C ATOM 150 O LEU A 100 7.582 14.915 2.423 1.00 0.79 O ATOM 151 CB LEU A 100 7.651 11.645 2.565 1.00 0.86 C ATOM 152 CG LEU A 100 8.724 11.510 1.472 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.075 10.033 1.272 1.00 1.41 C ATOM 154 CD2 LEU A 100 8.193 12.082 0.154 1.00 1.41 C ATOM 0 H LEU A 100 7.338 11.373 4.940 1.00 0.75 H new ATOM 0 HA LEU A 100 9.044 13.103 3.402 1.00 0.76 H new ATOM 0 HB2 LEU A 100 7.584 10.720 3.137 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.674 11.810 2.110 1.00 0.86 H new ATOM 0 HG LEU A 100 9.614 12.060 1.778 1.00 0.79 H new ATOM 0 HD11 LEU A 100 9.836 9.942 0.497 1.00 1.41 H new ATOM 0 HD12 LEU A 100 9.457 9.620 2.206 1.00 1.41 H new ATOM 0 HD13 LEU A 100 8.182 9.484 0.971 1.00 1.41 H new ATOM 0 HD21 LEU A 100 8.956 11.985 -0.618 1.00 1.41 H new ATOM 0 HD22 LEU A 100 7.300 11.534 -0.147 1.00 1.41 H new ATOM 0 HD23 LEU A 100 7.945 13.135 0.288 1.00 1.41 H new ATOM 166 N PHE A 101 5.953 14.131 3.684 1.00 0.60 N ATOM 167 CA PHE A 101 5.075 15.313 3.408 1.00 0.59 C ATOM 168 C PHE A 101 5.335 16.411 4.453 1.00 0.60 C ATOM 169 O PHE A 101 5.525 17.563 4.119 1.00 0.72 O ATOM 170 CB PHE A 101 3.646 14.774 3.533 1.00 0.61 C ATOM 171 CG PHE A 101 2.657 15.802 3.032 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.302 16.886 3.844 1.00 0.86 C ATOM 173 CD2 PHE A 101 2.088 15.666 1.760 1.00 0.68 C ATOM 174 CE1 PHE A 101 1.378 17.832 3.384 1.00 0.90 C ATOM 175 CE2 PHE A 101 1.166 16.613 1.300 1.00 0.73 C ATOM 176 CZ PHE A 101 0.810 17.695 2.113 1.00 0.69 C ATOM 0 H PHE A 101 5.545 13.428 4.300 1.00 0.60 H new ATOM 0 HA PHE A 101 5.259 15.755 2.429 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.545 13.852 2.960 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.431 14.528 4.573 1.00 0.61 H new ATOM 0 HD1 PHE A 101 2.741 16.992 4.825 1.00 0.86 H new ATOM 0 HD2 PHE A 101 2.361 14.830 1.133 1.00 0.68 H new ATOM 0 HE1 PHE A 101 1.104 18.668 4.011 1.00 0.90 H new ATOM 0 HE2 PHE A 101 0.729 16.509 0.318 1.00 0.73 H new ATOM 0 HZ PHE A 101 0.097 18.424 1.759 1.00 0.69 H new ATOM 186 N ARG A 102 5.346 16.051 5.714 1.00 0.67 N ATOM 187 CA ARG A 102 5.593 17.051 6.805 1.00 0.76 C ATOM 188 C ARG A 102 6.933 17.776 6.588 1.00 0.68 C ATOM 189 O ARG A 102 7.031 18.974 6.776 1.00 0.78 O ATOM 190 CB ARG A 102 5.621 16.212 8.095 1.00 0.99 C ATOM 191 CG ARG A 102 6.231 17.009 9.255 1.00 1.30 C ATOM 192 CD ARG A 102 7.186 16.107 10.046 1.00 1.45 C ATOM 193 NE ARG A 102 6.301 15.212 10.851 1.00 2.12 N ATOM 194 CZ ARG A 102 6.537 13.931 10.892 1.00 2.71 C ATOM 195 NH1 ARG A 102 7.414 13.457 11.730 1.00 3.37 N1+ ATOM 196 NH2 ARG A 102 5.882 13.127 10.107 1.00 3.07 N ATOM 0 H ARG A 102 5.193 15.096 6.039 1.00 0.67 H new ATOM 0 HA ARG A 102 4.831 17.830 6.837 1.00 0.76 H new ATOM 0 HB2 ARG A 102 4.608 15.903 8.354 1.00 0.99 H new ATOM 0 HB3 ARG A 102 6.199 15.303 7.930 1.00 0.99 H new ATOM 0 HG2 ARG A 102 6.767 17.877 8.872 1.00 1.30 H new ATOM 0 HG3 ARG A 102 5.442 17.384 9.908 1.00 1.30 H new ATOM 0 HD2 ARG A 102 7.827 15.531 9.379 1.00 1.45 H new ATOM 0 HD3 ARG A 102 7.841 16.695 10.689 1.00 1.45 H new ATOM 0 HE ARG A 102 5.513 15.603 11.368 1.00 2.12 H new ATOM 0 HH11 ARG A 102 7.916 14.088 12.354 1.00 3.37 H new ATOM 0 HH12 ARG A 102 7.599 12.454 11.762 1.00 3.37 H new ATOM 0 HH21 ARG A 102 5.186 13.500 9.461 1.00 3.07 H new ATOM 0 HH22 ARG A 102 6.065 12.124 10.137 1.00 3.07 H new ATOM 210 N MET A 103 7.958 17.060 6.198 1.00 0.71 N ATOM 211 CA MET A 103 9.291 17.708 5.973 1.00 0.75 C ATOM 212 C MET A 103 9.385 18.338 4.570 1.00 0.68 C ATOM 213 O MET A 103 10.337 19.029 4.266 1.00 0.83 O ATOM 214 CB MET A 103 10.311 16.572 6.111 1.00 0.93 C ATOM 215 CG MET A 103 11.672 17.148 6.511 1.00 1.27 C ATOM 216 SD MET A 103 12.714 15.830 7.184 1.00 1.82 S ATOM 217 CE MET A 103 13.776 15.612 5.734 1.00 2.43 C ATOM 0 H MET A 103 7.931 16.055 6.025 1.00 0.71 H new ATOM 0 HA MET A 103 9.463 18.517 6.683 1.00 0.75 H new ATOM 0 HB2 MET A 103 9.974 15.856 6.860 1.00 0.93 H new ATOM 0 HB3 MET A 103 10.397 16.031 5.169 1.00 0.93 H new ATOM 0 HG2 MET A 103 12.155 17.601 5.645 1.00 1.27 H new ATOM 0 HG3 MET A 103 11.541 17.936 7.252 1.00 1.27 H new ATOM 0 HE1 MET A 103 14.508 14.830 5.934 1.00 2.43 H new ATOM 0 HE2 MET A 103 13.167 15.328 4.876 1.00 2.43 H new ATOM 0 HE3 MET A 103 14.293 16.547 5.518 1.00 2.43 H new ATOM 227 N PHE A 104 8.419 18.103 3.712 1.00 0.68 N ATOM 228 CA PHE A 104 8.483 18.688 2.337 1.00 0.79 C ATOM 229 C PHE A 104 7.793 20.058 2.279 1.00 0.71 C ATOM 230 O PHE A 104 8.250 20.945 1.587 1.00 0.88 O ATOM 231 CB PHE A 104 7.760 17.680 1.438 1.00 0.94 C ATOM 232 CG PHE A 104 8.767 16.886 0.633 1.00 1.31 C ATOM 233 CD1 PHE A 104 9.976 16.473 1.214 1.00 1.26 C ATOM 234 CD2 PHE A 104 8.486 16.558 -0.697 1.00 2.03 C ATOM 235 CE1 PHE A 104 10.899 15.736 0.463 1.00 1.86 C ATOM 236 CE2 PHE A 104 9.410 15.821 -1.448 1.00 2.65 C ATOM 237 CZ PHE A 104 10.616 15.410 -0.868 1.00 2.56 C ATOM 0 H PHE A 104 7.594 17.534 3.905 1.00 0.68 H new ATOM 0 HA PHE A 104 9.513 18.855 2.022 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.156 17.006 2.046 1.00 0.94 H new ATOM 0 HB3 PHE A 104 7.078 18.203 0.768 1.00 0.94 H new ATOM 0 HD1 PHE A 104 10.194 16.724 2.241 1.00 1.26 H new ATOM 0 HD2 PHE A 104 7.555 16.873 -1.145 1.00 2.03 H new ATOM 0 HE1 PHE A 104 11.829 15.419 0.911 1.00 1.86 H new ATOM 0 HE2 PHE A 104 9.192 15.569 -2.475 1.00 2.65 H new ATOM 0 HZ PHE A 104 11.328 14.841 -1.448 1.00 2.56 H new ATOM 247 N ASP A 105 6.701 20.245 2.985 1.00 0.61 N ATOM 248 CA ASP A 105 6.005 21.573 2.940 1.00 0.60 C ATOM 249 C ASP A 105 6.873 22.667 3.589 1.00 0.56 C ATOM 250 O ASP A 105 6.698 23.013 4.742 1.00 0.63 O ATOM 251 CB ASP A 105 4.693 21.384 3.710 1.00 0.68 C ATOM 252 CG ASP A 105 3.646 22.356 3.163 1.00 0.86 C ATOM 253 OD1 ASP A 105 3.595 23.476 3.643 1.00 0.84 O ATOM 254 OD2 ASP A 105 2.922 21.974 2.261 1.00 1.45 O ATOM 0 H ASP A 105 6.265 19.544 3.584 1.00 0.61 H new ATOM 0 HA ASP A 105 5.820 21.894 1.915 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.342 20.357 3.608 1.00 0.68 H new ATOM 0 HB3 ASP A 105 4.852 21.562 4.773 1.00 0.68 H new ATOM 259 N LYS A 106 7.803 23.213 2.845 1.00 0.59 N ATOM 260 CA LYS A 106 8.690 24.289 3.394 1.00 0.66 C ATOM 261 C LYS A 106 7.962 25.644 3.405 1.00 0.55 C ATOM 262 O LYS A 106 8.337 26.548 4.127 1.00 0.63 O ATOM 263 CB LYS A 106 9.892 24.327 2.446 1.00 0.87 C ATOM 264 CG LYS A 106 11.029 25.133 3.081 1.00 1.21 C ATOM 265 CD LYS A 106 11.885 25.760 1.977 1.00 1.61 C ATOM 266 CE LYS A 106 11.518 27.240 1.814 1.00 1.77 C ATOM 267 NZ LYS A 106 10.468 27.265 0.756 1.00 2.14 N1+ ATOM 0 H LYS A 106 7.988 22.959 1.875 1.00 0.59 H new ATOM 0 HA LYS A 106 8.985 24.091 4.424 1.00 0.66 H new ATOM 0 HB2 LYS A 106 10.229 23.313 2.231 1.00 0.87 H new ATOM 0 HB3 LYS A 106 9.603 24.775 1.495 1.00 0.87 H new ATOM 0 HG2 LYS A 106 10.622 25.911 3.727 1.00 1.21 H new ATOM 0 HG3 LYS A 106 11.642 24.486 3.709 1.00 1.21 H new ATOM 0 HD2 LYS A 106 12.942 25.663 2.224 1.00 1.61 H new ATOM 0 HD3 LYS A 106 11.728 25.231 1.037 1.00 1.61 H new ATOM 0 HE2 LYS A 106 11.146 27.659 2.749 1.00 1.77 H new ATOM 0 HE3 LYS A 106 12.386 27.832 1.522 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 10.312 28.245 0.445 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 10.777 26.690 -0.053 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 9.581 26.878 1.138 1.00 2.14 H new ATOM 281 N ASN A 107 6.923 25.791 2.614 1.00 0.48 N ATOM 282 CA ASN A 107 6.169 27.086 2.586 1.00 0.50 C ATOM 283 C ASN A 107 5.359 27.274 3.890 1.00 0.58 C ATOM 284 O ASN A 107 4.937 28.370 4.204 1.00 0.70 O ATOM 285 CB ASN A 107 5.251 26.970 1.366 1.00 0.54 C ATOM 286 CG ASN A 107 4.426 28.245 1.184 1.00 0.70 C ATOM 287 OD1 ASN A 107 4.950 29.338 1.231 1.00 1.00 O ATOM 288 ND2 ASN A 107 3.145 28.145 0.962 1.00 0.78 N ATOM 0 H ASN A 107 6.565 25.070 1.987 1.00 0.48 H new ATOM 0 HA ASN A 107 6.826 27.953 2.517 1.00 0.50 H new ATOM 0 HB2 ASN A 107 5.848 26.787 0.472 1.00 0.54 H new ATOM 0 HB3 ASN A 107 4.586 26.115 1.486 1.00 0.54 H new ATOM 0 HD21 ASN A 107 2.583 28.986 0.828 1.00 0.78 H new ATOM 0 HD22 ASN A 107 2.704 27.226 0.922 1.00 0.78 H new ATOM 295 N ALA A 108 5.160 26.210 4.651 1.00 0.65 N ATOM 296 CA ALA A 108 4.402 26.292 5.950 1.00 0.84 C ATOM 297 C ALA A 108 2.906 26.575 5.724 1.00 0.78 C ATOM 298 O ALA A 108 2.448 27.697 5.838 1.00 0.96 O ATOM 299 CB ALA A 108 5.064 27.425 6.743 1.00 1.03 C ATOM 0 H ALA A 108 5.497 25.276 4.420 1.00 0.65 H new ATOM 0 HA ALA A 108 4.442 25.344 6.487 1.00 0.84 H new ATOM 0 HB1 ALA A 108 4.560 27.540 7.703 1.00 1.03 H new ATOM 0 HB2 ALA A 108 6.114 27.186 6.911 1.00 1.03 H new ATOM 0 HB3 ALA A 108 4.989 28.355 6.180 1.00 1.03 H new ATOM 305 N ASP A 109 2.143 25.548 5.422 1.00 0.73 N ATOM 306 CA ASP A 109 0.667 25.718 5.200 1.00 0.74 C ATOM 307 C ASP A 109 -0.016 24.344 5.043 1.00 0.78 C ATOM 308 O ASP A 109 -1.124 24.145 5.503 1.00 0.96 O ATOM 309 CB ASP A 109 0.520 26.557 3.919 1.00 0.72 C ATOM 310 CG ASP A 109 1.342 25.948 2.786 1.00 1.15 C ATOM 311 OD1 ASP A 109 2.538 26.167 2.759 1.00 1.66 O ATOM 312 OD2 ASP A 109 0.760 25.276 1.959 1.00 1.95 O ATOM 0 H ASP A 109 2.482 24.592 5.319 1.00 0.73 H new ATOM 0 HA ASP A 109 0.189 26.211 6.046 1.00 0.74 H new ATOM 0 HB2 ASP A 109 -0.529 26.608 3.629 1.00 0.72 H new ATOM 0 HB3 ASP A 109 0.849 27.579 4.107 1.00 0.72 H new ATOM 317 N GLY A 110 0.639 23.394 4.408 1.00 0.76 N ATOM 318 CA GLY A 110 0.028 22.036 4.240 1.00 0.85 C ATOM 319 C GLY A 110 -0.215 21.720 2.755 1.00 0.70 C ATOM 320 O GLY A 110 -0.340 20.572 2.380 1.00 0.73 O ATOM 0 H GLY A 110 1.568 23.503 4.001 1.00 0.76 H new ATOM 0 HA2 GLY A 110 0.685 21.282 4.673 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -0.915 21.988 4.785 1.00 0.85 H new ATOM 324 N TYR A 111 -0.295 22.721 1.912 1.00 0.68 N ATOM 325 CA TYR A 111 -0.545 22.468 0.456 1.00 0.60 C ATOM 326 C TYR A 111 0.693 22.836 -0.371 1.00 0.58 C ATOM 327 O TYR A 111 1.189 23.942 -0.304 1.00 0.83 O ATOM 328 CB TYR A 111 -1.721 23.382 0.094 1.00 0.68 C ATOM 329 CG TYR A 111 -2.923 23.034 0.944 1.00 0.68 C ATOM 330 CD1 TYR A 111 -2.984 23.458 2.280 1.00 0.71 C ATOM 331 CD2 TYR A 111 -3.974 22.287 0.399 1.00 0.78 C ATOM 332 CE1 TYR A 111 -4.095 23.135 3.065 1.00 0.78 C ATOM 333 CE2 TYR A 111 -5.083 21.965 1.187 1.00 0.83 C ATOM 334 CZ TYR A 111 -5.144 22.389 2.518 1.00 0.80 C ATOM 335 OH TYR A 111 -6.239 22.070 3.293 1.00 0.90 O ATOM 0 H TYR A 111 -0.198 23.703 2.169 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.761 21.419 0.251 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.444 24.425 0.250 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.967 23.272 -0.962 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -2.173 24.034 2.702 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -3.928 21.960 -0.629 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -4.143 23.461 4.093 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -5.894 21.388 0.767 1.00 0.83 H new ATOM 0 HH TYR A 111 -6.876 21.550 2.760 1.00 0.90 H new ATOM 345 N ILE A 112 1.195 21.918 -1.154 1.00 0.50 N ATOM 346 CA ILE A 112 2.407 22.218 -1.984 1.00 0.50 C ATOM 347 C ILE A 112 1.997 22.811 -3.337 1.00 0.49 C ATOM 348 O ILE A 112 0.980 22.452 -3.899 1.00 0.66 O ATOM 349 CB ILE A 112 3.105 20.867 -2.179 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.416 20.244 -0.812 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.415 21.069 -2.945 1.00 0.58 C ATOM 352 CD1 ILE A 112 2.788 18.854 -0.727 1.00 0.66 C ATOM 0 H ILE A 112 0.822 20.974 -1.257 1.00 0.50 H new ATOM 0 HA ILE A 112 3.059 22.948 -1.505 1.00 0.50 H new ATOM 0 HB ILE A 112 2.448 20.205 -2.743 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.494 20.176 -0.669 1.00 0.62 H new ATOM 0 HG13 ILE A 112 3.028 20.879 -0.015 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.909 20.107 -3.082 1.00 0.58 H new ATOM 0 HG22 ILE A 112 4.203 21.510 -3.919 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.068 21.735 -2.380 1.00 0.58 H new ATOM 0 HD11 ILE A 112 3.010 18.413 0.245 1.00 0.66 H new ATOM 0 HD12 ILE A 112 1.708 18.934 -0.851 1.00 0.66 H new ATOM 0 HD13 ILE A 112 3.197 18.221 -1.514 1.00 0.66 H new ATOM 364 N ASP A 113 2.789 23.710 -3.866 1.00 0.47 N ATOM 365 CA ASP A 113 2.463 24.323 -5.190 1.00 0.50 C ATOM 366 C ASP A 113 3.517 23.912 -6.231 1.00 0.50 C ATOM 367 O ASP A 113 4.501 23.272 -5.908 1.00 0.57 O ATOM 368 CB ASP A 113 2.491 25.838 -4.948 1.00 0.60 C ATOM 369 CG ASP A 113 1.608 26.542 -5.981 1.00 1.17 C ATOM 370 OD1 ASP A 113 0.411 26.614 -5.761 1.00 1.77 O ATOM 371 OD2 ASP A 113 2.146 26.999 -6.975 1.00 1.85 O ATOM 0 H ASP A 113 3.650 24.047 -3.436 1.00 0.47 H new ATOM 0 HA ASP A 113 1.496 23.998 -5.574 1.00 0.50 H new ATOM 0 HB2 ASP A 113 2.138 26.062 -3.941 1.00 0.60 H new ATOM 0 HB3 ASP A 113 3.514 26.208 -5.017 1.00 0.60 H new ATOM 376 N LEU A 114 3.315 24.272 -7.475 1.00 0.52 N ATOM 377 CA LEU A 114 4.294 23.904 -8.552 1.00 0.57 C ATOM 378 C LEU A 114 5.715 24.401 -8.217 1.00 0.63 C ATOM 379 O LEU A 114 6.697 23.783 -8.585 1.00 0.80 O ATOM 380 CB LEU A 114 3.772 24.607 -9.812 1.00 0.62 C ATOM 381 CG LEU A 114 2.688 23.750 -10.477 1.00 0.61 C ATOM 382 CD1 LEU A 114 1.504 24.636 -10.870 1.00 0.91 C ATOM 383 CD2 LEU A 114 3.258 23.087 -11.733 1.00 0.81 C ATOM 0 H LEU A 114 2.509 24.809 -7.795 1.00 0.52 H new ATOM 0 HA LEU A 114 4.369 22.823 -8.672 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.366 25.585 -9.552 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.592 24.778 -10.510 1.00 0.62 H new ATOM 0 HG LEU A 114 2.356 22.984 -9.777 1.00 0.61 H new ATOM 0 HD11 LEU A 114 0.734 24.026 -11.343 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.094 25.112 -9.979 1.00 0.91 H new ATOM 0 HD13 LEU A 114 1.839 25.402 -11.569 1.00 0.91 H new ATOM 0 HD21 LEU A 114 2.487 22.478 -12.205 1.00 0.81 H new ATOM 0 HD22 LEU A 114 3.591 23.855 -12.431 1.00 0.81 H new ATOM 0 HD23 LEU A 114 4.103 22.455 -11.459 1.00 0.81 H new ATOM 395 N ASP A 115 5.830 25.518 -7.542 1.00 0.61 N ATOM 396 CA ASP A 115 7.184 26.067 -7.208 1.00 0.71 C ATOM 397 C ASP A 115 7.873 25.291 -6.068 1.00 0.65 C ATOM 398 O ASP A 115 9.078 25.131 -6.072 1.00 0.89 O ATOM 399 CB ASP A 115 6.924 27.515 -6.787 1.00 0.80 C ATOM 400 CG ASP A 115 8.085 28.393 -7.249 1.00 1.17 C ATOM 401 OD1 ASP A 115 9.067 28.468 -6.530 1.00 1.76 O ATOM 402 OD2 ASP A 115 7.978 28.966 -8.319 1.00 1.76 O ATOM 0 H ASP A 115 5.044 26.075 -7.207 1.00 0.61 H new ATOM 0 HA ASP A 115 7.858 25.985 -8.060 1.00 0.71 H new ATOM 0 HB2 ASP A 115 5.990 27.870 -7.222 1.00 0.80 H new ATOM 0 HB3 ASP A 115 6.815 27.577 -5.704 1.00 0.80 H new ATOM 407 N GLU A 116 7.133 24.823 -5.092 1.00 0.51 N ATOM 408 CA GLU A 116 7.778 24.078 -3.955 1.00 0.48 C ATOM 409 C GLU A 116 8.248 22.681 -4.400 1.00 0.49 C ATOM 410 O GLU A 116 9.180 22.132 -3.843 1.00 0.63 O ATOM 411 CB GLU A 116 6.705 23.942 -2.860 1.00 0.48 C ATOM 412 CG GLU A 116 5.971 25.268 -2.640 1.00 0.57 C ATOM 413 CD GLU A 116 5.060 25.138 -1.417 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.555 24.760 -0.369 1.00 1.19 O ATOM 415 OE2 GLU A 116 3.880 25.409 -1.547 1.00 1.36 O ATOM 0 H GLU A 116 6.120 24.921 -5.029 1.00 0.51 H new ATOM 0 HA GLU A 116 8.657 24.614 -3.598 1.00 0.48 H new ATOM 0 HB2 GLU A 116 5.990 23.169 -3.141 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.171 23.621 -1.928 1.00 0.48 H new ATOM 0 HG2 GLU A 116 6.688 26.075 -2.491 1.00 0.57 H new ATOM 0 HG3 GLU A 116 5.383 25.523 -3.522 1.00 0.57 H new ATOM 422 N LEU A 117 7.603 22.098 -5.382 1.00 0.48 N ATOM 423 CA LEU A 117 7.996 20.723 -5.850 1.00 0.52 C ATOM 424 C LEU A 117 9.486 20.643 -6.227 1.00 0.58 C ATOM 425 O LEU A 117 10.157 19.680 -5.906 1.00 0.69 O ATOM 426 CB LEU A 117 7.139 20.448 -7.091 1.00 0.55 C ATOM 427 CG LEU A 117 5.650 20.472 -6.731 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.829 20.542 -8.016 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.284 19.201 -5.962 1.00 0.53 C ATOM 0 H LEU A 117 6.818 22.514 -5.884 1.00 0.48 H new ATOM 0 HA LEU A 117 7.838 19.994 -5.056 1.00 0.52 H new ATOM 0 HB2 LEU A 117 7.346 21.196 -7.856 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.401 19.478 -7.514 1.00 0.55 H new ATOM 0 HG LEU A 117 5.439 21.341 -6.108 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.767 20.559 -7.769 1.00 0.58 H new ATOM 0 HD12 LEU A 117 5.089 21.447 -8.565 1.00 0.58 H new ATOM 0 HD13 LEU A 117 5.044 19.669 -8.633 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.224 19.222 -5.708 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.491 18.328 -6.582 1.00 0.53 H new ATOM 0 HD23 LEU A 117 5.875 19.146 -5.048 1.00 0.53 H new ATOM 441 N LYS A 118 10.003 21.624 -6.926 1.00 0.59 N ATOM 442 CA LYS A 118 11.445 21.572 -7.344 1.00 0.69 C ATOM 443 C LYS A 118 12.396 21.911 -6.182 1.00 0.64 C ATOM 444 O LYS A 118 13.518 21.442 -6.142 1.00 0.73 O ATOM 445 CB LYS A 118 11.573 22.602 -8.480 1.00 0.83 C ATOM 446 CG LYS A 118 11.560 24.028 -7.915 1.00 0.99 C ATOM 447 CD LYS A 118 11.338 25.034 -9.053 1.00 1.35 C ATOM 448 CE LYS A 118 9.835 25.237 -9.275 1.00 1.51 C ATOM 449 NZ LYS A 118 9.659 26.709 -9.436 1.00 1.99 N1+ ATOM 0 H LYS A 118 9.494 22.456 -7.225 1.00 0.59 H new ATOM 0 HA LYS A 118 11.726 20.569 -7.664 1.00 0.69 H new ATOM 0 HB2 LYS A 118 12.498 22.431 -9.031 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.753 22.477 -9.187 1.00 0.83 H new ATOM 0 HG2 LYS A 118 10.770 24.127 -7.170 1.00 0.99 H new ATOM 0 HG3 LYS A 118 12.503 24.238 -7.410 1.00 0.99 H new ATOM 0 HD2 LYS A 118 11.811 25.985 -8.809 1.00 1.35 H new ATOM 0 HD3 LYS A 118 11.805 24.671 -9.969 1.00 1.35 H new ATOM 0 HE2 LYS A 118 9.492 24.700 -10.159 1.00 1.51 H new ATOM 0 HE3 LYS A 118 9.258 24.861 -8.430 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 8.653 26.923 -9.592 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 9.987 27.194 -8.577 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 10.214 27.038 -10.252 1.00 1.99 H new ATOM 463 N ILE A 119 11.970 22.726 -5.250 1.00 0.68 N ATOM 464 CA ILE A 119 12.869 23.103 -4.109 1.00 0.74 C ATOM 465 C ILE A 119 13.171 21.892 -3.208 1.00 0.75 C ATOM 466 O ILE A 119 14.312 21.642 -2.869 1.00 0.85 O ATOM 467 CB ILE A 119 12.099 24.185 -3.340 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.010 25.453 -4.196 1.00 1.22 C ATOM 469 CG2 ILE A 119 12.826 24.511 -2.032 1.00 1.08 C ATOM 470 CD1 ILE A 119 10.806 26.285 -3.755 1.00 1.06 C ATOM 0 H ILE A 119 11.041 23.147 -5.227 1.00 0.68 H new ATOM 0 HA ILE A 119 13.838 23.460 -4.458 1.00 0.74 H new ATOM 0 HB ILE A 119 11.097 23.819 -3.116 1.00 0.98 H new ATOM 0 HG12 ILE A 119 12.925 26.037 -4.095 1.00 1.22 H new ATOM 0 HG13 ILE A 119 11.915 25.187 -5.249 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.274 25.280 -1.491 1.00 1.08 H new ATOM 0 HG22 ILE A 119 12.892 23.612 -1.419 1.00 1.08 H new ATOM 0 HG23 ILE A 119 13.830 24.873 -2.254 1.00 1.08 H new ATOM 0 HD11 ILE A 119 10.744 27.187 -4.365 1.00 1.06 H new ATOM 0 HD12 ILE A 119 9.895 25.700 -3.878 1.00 1.06 H new ATOM 0 HD13 ILE A 119 10.920 26.563 -2.707 1.00 1.06 H new ATOM 482 N MET A 120 12.170 21.142 -2.817 1.00 0.85 N ATOM 483 CA MET A 120 12.425 19.952 -1.937 1.00 1.01 C ATOM 484 C MET A 120 13.195 18.865 -2.703 1.00 0.95 C ATOM 485 O MET A 120 13.878 18.049 -2.114 1.00 1.11 O ATOM 486 CB MET A 120 11.043 19.441 -1.525 1.00 1.17 C ATOM 487 CG MET A 120 10.465 20.350 -0.437 1.00 1.52 C ATOM 488 SD MET A 120 9.082 21.301 -1.113 1.00 1.88 S ATOM 489 CE MET A 120 7.951 19.912 -1.377 1.00 1.43 C ATOM 0 H MET A 120 11.193 21.298 -3.065 1.00 0.85 H new ATOM 0 HA MET A 120 13.032 20.216 -1.071 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.378 19.422 -2.389 1.00 1.17 H new ATOM 0 HB3 MET A 120 11.117 18.418 -1.157 1.00 1.17 H new ATOM 0 HG2 MET A 120 10.129 19.752 0.410 1.00 1.52 H new ATOM 0 HG3 MET A 120 11.236 21.025 -0.065 1.00 1.52 H new ATOM 0 HE1 MET A 120 7.516 19.982 -2.374 1.00 1.43 H new ATOM 0 HE2 MET A 120 8.499 18.974 -1.285 1.00 1.43 H new ATOM 0 HE3 MET A 120 7.157 19.943 -0.631 1.00 1.43 H new ATOM 499 N LEU A 121 13.095 18.854 -4.010 1.00 0.87 N ATOM 500 CA LEU A 121 13.826 17.827 -4.815 1.00 0.95 C ATOM 501 C LEU A 121 15.332 18.147 -4.871 1.00 0.87 C ATOM 502 O LEU A 121 16.143 17.278 -5.134 1.00 0.97 O ATOM 503 CB LEU A 121 13.192 17.897 -6.211 1.00 1.09 C ATOM 504 CG LEU A 121 12.724 16.502 -6.644 1.00 1.41 C ATOM 505 CD1 LEU A 121 13.931 15.570 -6.767 1.00 2.03 C ATOM 506 CD2 LEU A 121 11.746 15.934 -5.607 1.00 1.80 C ATOM 0 H LEU A 121 12.538 19.513 -4.554 1.00 0.87 H new ATOM 0 HA LEU A 121 13.746 16.830 -4.382 1.00 0.95 H new ATOM 0 HB2 LEU A 121 12.348 18.586 -6.202 1.00 1.09 H new ATOM 0 HB3 LEU A 121 13.914 18.287 -6.929 1.00 1.09 H new ATOM 0 HG LEU A 121 12.222 16.579 -7.609 1.00 1.41 H new ATOM 0 HD11 LEU A 121 13.596 14.579 -7.075 1.00 2.03 H new ATOM 0 HD12 LEU A 121 14.623 15.966 -7.510 1.00 2.03 H new ATOM 0 HD13 LEU A 121 14.436 15.499 -5.803 1.00 2.03 H new ATOM 0 HD21 LEU A 121 11.418 14.943 -5.921 1.00 1.80 H new ATOM 0 HD22 LEU A 121 12.243 15.862 -4.639 1.00 1.80 H new ATOM 0 HD23 LEU A 121 10.882 16.593 -5.523 1.00 1.80 H new ATOM 518 N GLN A 122 15.715 19.380 -4.614 1.00 0.82 N ATOM 519 CA GLN A 122 17.171 19.745 -4.640 1.00 0.95 C ATOM 520 C GLN A 122 17.964 18.903 -3.626 1.00 1.04 C ATOM 521 O GLN A 122 19.148 18.680 -3.793 1.00 1.19 O ATOM 522 CB GLN A 122 17.225 21.228 -4.258 1.00 1.14 C ATOM 523 CG GLN A 122 17.576 22.064 -5.492 1.00 1.42 C ATOM 524 CD GLN A 122 16.689 23.311 -5.536 1.00 1.85 C ATOM 525 OE1 GLN A 122 16.889 24.239 -4.779 1.00 2.44 O ATOM 526 NE2 GLN A 122 15.712 23.374 -6.396 1.00 2.28 N ATOM 0 H GLN A 122 15.082 20.147 -4.388 1.00 0.82 H new ATOM 0 HA GLN A 122 17.614 19.558 -5.618 1.00 0.95 H new ATOM 0 HB2 GLN A 122 16.264 21.545 -3.853 1.00 1.14 H new ATOM 0 HB3 GLN A 122 17.968 21.386 -3.476 1.00 1.14 H new ATOM 0 HG2 GLN A 122 18.626 22.353 -5.461 1.00 1.42 H new ATOM 0 HG3 GLN A 122 17.435 21.473 -6.397 1.00 1.42 H new ATOM 0 HE21 GLN A 122 15.542 22.596 -7.033 1.00 2.28 H new ATOM 0 HE22 GLN A 122 15.117 24.202 -6.432 1.00 2.28 H new ATOM 535 N ALA A 123 17.318 18.433 -2.581 1.00 1.09 N ATOM 536 CA ALA A 123 18.025 17.598 -1.558 1.00 1.33 C ATOM 537 C ALA A 123 18.640 16.354 -2.215 1.00 1.38 C ATOM 538 O ALA A 123 19.732 15.940 -1.876 1.00 1.62 O ATOM 539 CB ALA A 123 16.938 17.195 -0.559 1.00 1.45 C ATOM 0 H ALA A 123 16.328 18.594 -2.394 1.00 1.09 H new ATOM 0 HA ALA A 123 18.842 18.137 -1.079 1.00 1.33 H new ATOM 0 HB1 ALA A 123 17.376 16.578 0.226 1.00 1.45 H new ATOM 0 HB2 ALA A 123 16.501 18.090 -0.116 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.162 16.629 -1.074 1.00 1.45 H new ATOM 545 N THR A 124 17.950 15.762 -3.161 1.00 1.29 N ATOM 546 CA THR A 124 18.496 14.550 -3.848 1.00 1.47 C ATOM 547 C THR A 124 19.162 14.937 -5.181 1.00 1.44 C ATOM 548 O THR A 124 19.279 14.123 -6.078 1.00 1.72 O ATOM 549 CB THR A 124 17.280 13.641 -4.090 1.00 1.56 C ATOM 550 OG1 THR A 124 16.304 14.339 -4.854 1.00 2.16 O ATOM 551 CG2 THR A 124 16.670 13.221 -2.749 1.00 1.92 C ATOM 0 H THR A 124 17.032 16.066 -3.486 1.00 1.29 H new ATOM 0 HA THR A 124 19.261 14.053 -3.251 1.00 1.47 H new ATOM 0 HB THR A 124 17.602 12.754 -4.635 1.00 1.56 H new ATOM 0 HG1 THR A 124 15.531 13.757 -5.008 1.00 2.16 H new ATOM 0 HG21 THR A 124 15.809 12.577 -2.927 1.00 1.92 H new ATOM 0 HG22 THR A 124 17.414 12.679 -2.165 1.00 1.92 H new ATOM 0 HG23 THR A 124 16.353 14.108 -2.200 1.00 1.92 H new ATOM 559 N GLY A 125 19.602 16.171 -5.317 1.00 1.26 N ATOM 560 CA GLY A 125 20.260 16.608 -6.588 1.00 1.32 C ATOM 561 C GLY A 125 19.243 16.580 -7.732 1.00 1.26 C ATOM 562 O GLY A 125 19.359 15.793 -8.652 1.00 1.63 O ATOM 0 H GLY A 125 19.532 16.892 -4.599 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.664 17.614 -6.472 1.00 1.32 H new ATOM 0 HA3 GLY A 125 21.099 15.952 -6.819 1.00 1.32 H new ATOM 566 N GLU A 126 18.242 17.426 -7.679 1.00 1.02 N ATOM 567 CA GLU A 126 17.214 17.434 -8.769 1.00 1.08 C ATOM 568 C GLU A 126 17.816 17.930 -10.094 1.00 0.89 C ATOM 569 O GLU A 126 17.511 17.393 -11.143 1.00 0.87 O ATOM 570 CB GLU A 126 16.067 18.349 -8.288 1.00 1.34 C ATOM 571 CG GLU A 126 16.578 19.747 -7.893 1.00 1.45 C ATOM 572 CD GLU A 126 16.149 20.776 -8.942 1.00 1.61 C ATOM 573 OE1 GLU A 126 14.970 21.090 -8.988 1.00 2.16 O ATOM 574 OE2 GLU A 126 17.005 21.237 -9.676 1.00 2.09 O ATOM 0 H GLU A 126 18.092 18.107 -6.934 1.00 1.02 H new ATOM 0 HA GLU A 126 16.844 16.428 -8.965 1.00 1.08 H new ATOM 0 HB2 GLU A 126 15.322 18.444 -9.078 1.00 1.34 H new ATOM 0 HB3 GLU A 126 15.569 17.889 -7.434 1.00 1.34 H new ATOM 0 HG2 GLU A 126 16.183 20.025 -6.916 1.00 1.45 H new ATOM 0 HG3 GLU A 126 17.664 19.735 -7.806 1.00 1.45 H new ATOM 581 N THR A 127 18.672 18.935 -10.049 1.00 1.09 N ATOM 582 CA THR A 127 19.314 19.483 -11.299 1.00 1.21 C ATOM 583 C THR A 127 18.346 19.424 -12.492 1.00 1.29 C ATOM 584 O THR A 127 18.629 18.814 -13.508 1.00 1.60 O ATOM 585 CB THR A 127 20.558 18.611 -11.555 1.00 1.57 C ATOM 586 OG1 THR A 127 20.232 17.233 -11.425 1.00 1.91 O ATOM 587 CG2 THR A 127 21.651 18.967 -10.547 1.00 2.18 C ATOM 0 H THR A 127 18.956 19.404 -9.189 1.00 1.09 H new ATOM 0 HA THR A 127 19.583 20.532 -11.176 1.00 1.21 H new ATOM 0 HB THR A 127 20.914 18.799 -12.568 1.00 1.57 H new ATOM 0 HG1 THR A 127 19.432 17.035 -11.956 1.00 1.91 H new ATOM 0 HG21 THR A 127 22.530 18.349 -10.730 1.00 2.18 H new ATOM 0 HG22 THR A 127 21.918 20.018 -10.656 1.00 2.18 H new ATOM 0 HG23 THR A 127 21.286 18.788 -9.536 1.00 2.18 H new ATOM 595 N ILE A 128 17.202 20.048 -12.367 1.00 1.08 N ATOM 596 CA ILE A 128 16.201 20.025 -13.479 1.00 1.20 C ATOM 597 C ILE A 128 15.533 21.402 -13.635 1.00 1.18 C ATOM 598 O ILE A 128 15.844 22.337 -12.921 1.00 1.15 O ATOM 599 CB ILE A 128 15.188 18.949 -13.056 1.00 1.12 C ATOM 600 CG1 ILE A 128 14.449 18.417 -14.287 1.00 1.32 C ATOM 601 CG2 ILE A 128 14.172 19.532 -12.068 1.00 1.62 C ATOM 602 CD1 ILE A 128 14.194 16.918 -14.119 1.00 2.03 C ATOM 0 H ILE A 128 16.917 20.574 -11.541 1.00 1.08 H new ATOM 0 HA ILE A 128 16.649 19.803 -14.447 1.00 1.20 H new ATOM 0 HB ILE A 128 15.729 18.135 -12.573 1.00 1.12 H new ATOM 0 HG12 ILE A 128 13.504 18.946 -14.414 1.00 1.32 H new ATOM 0 HG13 ILE A 128 15.039 18.598 -15.185 1.00 1.32 H new ATOM 0 HG21 ILE A 128 13.461 18.758 -11.778 1.00 1.62 H new ATOM 0 HG22 ILE A 128 14.693 19.897 -11.183 1.00 1.62 H new ATOM 0 HG23 ILE A 128 13.638 20.357 -12.540 1.00 1.62 H new ATOM 0 HD11 ILE A 128 13.668 16.538 -14.995 1.00 2.03 H new ATOM 0 HD12 ILE A 128 15.145 16.397 -14.013 1.00 2.03 H new ATOM 0 HD13 ILE A 128 13.587 16.750 -13.230 1.00 2.03 H new ATOM 614 N THR A 129 14.620 21.532 -14.567 1.00 1.34 N ATOM 615 CA THR A 129 13.934 22.847 -14.774 1.00 1.42 C ATOM 616 C THR A 129 12.460 22.768 -14.341 1.00 1.16 C ATOM 617 O THR A 129 11.948 21.707 -14.039 1.00 0.97 O ATOM 618 CB THR A 129 14.051 23.129 -16.280 1.00 1.64 C ATOM 619 OG1 THR A 129 13.658 24.470 -16.539 1.00 2.23 O ATOM 620 CG2 THR A 129 13.152 22.176 -17.073 1.00 2.28 C ATOM 0 H THR A 129 14.320 20.785 -15.193 1.00 1.34 H new ATOM 0 HA THR A 129 14.385 23.640 -14.178 1.00 1.42 H new ATOM 0 HB THR A 129 15.085 22.977 -16.588 1.00 1.64 H new ATOM 0 HG1 THR A 129 13.733 24.653 -17.499 1.00 2.23 H new ATOM 0 HG21 THR A 129 13.246 22.389 -18.138 1.00 2.28 H new ATOM 0 HG22 THR A 129 13.454 21.146 -16.880 1.00 2.28 H new ATOM 0 HG23 THR A 129 12.115 22.314 -16.766 1.00 2.28 H new ATOM 628 N GLU A 130 11.778 23.888 -14.312 1.00 1.31 N ATOM 629 CA GLU A 130 10.338 23.890 -13.901 1.00 1.28 C ATOM 630 C GLU A 130 9.482 23.098 -14.906 1.00 1.16 C ATOM 631 O GLU A 130 8.592 22.364 -14.521 1.00 1.21 O ATOM 632 CB GLU A 130 9.932 25.365 -13.884 1.00 1.69 C ATOM 633 CG GLU A 130 8.434 25.486 -13.582 1.00 2.05 C ATOM 634 CD GLU A 130 8.227 26.189 -12.238 1.00 2.43 C ATOM 635 OE1 GLU A 130 8.680 27.314 -12.100 1.00 3.03 O ATOM 636 OE2 GLU A 130 7.620 25.590 -11.367 1.00 2.70 O ATOM 0 H GLU A 130 12.157 24.803 -14.556 1.00 1.31 H new ATOM 0 HA GLU A 130 10.190 23.415 -12.931 1.00 1.28 H new ATOM 0 HB2 GLU A 130 10.509 25.902 -13.131 1.00 1.69 H new ATOM 0 HB3 GLU A 130 10.157 25.825 -14.846 1.00 1.69 H new ATOM 0 HG2 GLU A 130 7.939 26.046 -14.375 1.00 2.05 H new ATOM 0 HG3 GLU A 130 7.978 24.496 -13.558 1.00 2.05 H new ATOM 643 N ASP A 131 9.749 23.237 -16.185 1.00 1.18 N ATOM 644 CA ASP A 131 8.954 22.487 -17.215 1.00 1.19 C ATOM 645 C ASP A 131 9.004 20.973 -16.940 1.00 1.07 C ATOM 646 O ASP A 131 8.049 20.258 -17.185 1.00 1.14 O ATOM 647 CB ASP A 131 9.632 22.813 -18.550 1.00 1.44 C ATOM 648 CG ASP A 131 8.756 22.332 -19.709 1.00 1.48 C ATOM 649 OD1 ASP A 131 7.858 23.063 -20.091 1.00 2.07 O ATOM 650 OD2 ASP A 131 9.002 21.243 -20.198 1.00 1.91 O ATOM 0 H ASP A 131 10.483 23.837 -16.561 1.00 1.18 H new ATOM 0 HA ASP A 131 7.902 22.771 -17.208 1.00 1.19 H new ATOM 0 HB2 ASP A 131 9.799 23.887 -18.630 1.00 1.44 H new ATOM 0 HB3 ASP A 131 10.610 22.334 -18.598 1.00 1.44 H new ATOM 655 N ASP A 132 10.107 20.486 -16.426 1.00 1.00 N ATOM 656 CA ASP A 132 10.223 19.023 -16.127 1.00 1.03 C ATOM 657 C ASP A 132 9.433 18.662 -14.859 1.00 0.88 C ATOM 658 O ASP A 132 9.004 17.536 -14.692 1.00 1.03 O ATOM 659 CB ASP A 132 11.717 18.772 -15.913 1.00 1.13 C ATOM 660 CG ASP A 132 12.368 18.368 -17.235 1.00 1.39 C ATOM 661 OD1 ASP A 132 12.305 17.197 -17.569 1.00 1.99 O ATOM 662 OD2 ASP A 132 12.921 19.234 -17.889 1.00 1.79 O ATOM 0 H ASP A 132 10.934 21.039 -16.200 1.00 1.00 H new ATOM 0 HA ASP A 132 9.817 18.413 -16.934 1.00 1.03 H new ATOM 0 HB2 ASP A 132 12.194 19.671 -15.522 1.00 1.13 H new ATOM 0 HB3 ASP A 132 11.861 17.986 -15.171 1.00 1.13 H new ATOM 667 N ILE A 133 9.233 19.607 -13.966 1.00 0.75 N ATOM 668 CA ILE A 133 8.463 19.308 -12.711 1.00 0.77 C ATOM 669 C ILE A 133 7.040 18.849 -13.063 1.00 0.70 C ATOM 670 O ILE A 133 6.439 18.073 -12.343 1.00 0.82 O ATOM 671 CB ILE A 133 8.414 20.624 -11.915 1.00 0.87 C ATOM 672 CG1 ILE A 133 9.835 21.138 -11.637 1.00 0.96 C ATOM 673 CG2 ILE A 133 7.697 20.389 -10.582 1.00 1.06 C ATOM 674 CD1 ILE A 133 10.649 20.074 -10.895 1.00 1.00 C ATOM 0 H ILE A 133 9.567 20.567 -14.051 1.00 0.75 H new ATOM 0 HA ILE A 133 8.933 18.512 -12.134 1.00 0.77 H new ATOM 0 HB ILE A 133 7.876 21.367 -12.503 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.327 21.393 -12.576 1.00 0.96 H new ATOM 0 HG13 ILE A 133 9.789 22.051 -11.043 1.00 0.96 H new ATOM 0 HG21 ILE A 133 7.662 21.321 -10.018 1.00 1.06 H new ATOM 0 HG22 ILE A 133 6.681 20.042 -10.771 1.00 1.06 H new ATOM 0 HG23 ILE A 133 8.236 19.637 -10.006 1.00 1.06 H new ATOM 0 HD11 ILE A 133 11.654 20.452 -10.705 1.00 1.00 H new ATOM 0 HD12 ILE A 133 10.164 19.840 -9.947 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.710 19.172 -11.504 1.00 1.00 H new ATOM 686 N GLU A 134 6.502 19.321 -14.166 1.00 0.61 N ATOM 687 CA GLU A 134 5.119 18.914 -14.572 1.00 0.64 C ATOM 688 C GLU A 134 5.047 17.396 -14.817 1.00 0.64 C ATOM 689 O GLU A 134 4.014 16.786 -14.617 1.00 0.76 O ATOM 690 CB GLU A 134 4.827 19.700 -15.856 1.00 0.73 C ATOM 691 CG GLU A 134 4.243 21.073 -15.490 1.00 0.89 C ATOM 692 CD GLU A 134 2.754 20.936 -15.158 1.00 1.21 C ATOM 693 OE1 GLU A 134 2.447 20.619 -14.020 1.00 1.86 O ATOM 694 OE2 GLU A 134 1.947 21.149 -16.047 1.00 1.87 O ATOM 0 H GLU A 134 6.963 19.971 -14.802 1.00 0.61 H new ATOM 0 HA GLU A 134 4.385 19.130 -13.796 1.00 0.64 H new ATOM 0 HB2 GLU A 134 5.742 19.824 -16.436 1.00 0.73 H new ATOM 0 HB3 GLU A 134 4.125 19.149 -16.482 1.00 0.73 H new ATOM 0 HG2 GLU A 134 4.778 21.489 -14.636 1.00 0.89 H new ATOM 0 HG3 GLU A 134 4.377 21.767 -16.319 1.00 0.89 H new ATOM 701 N GLU A 135 6.137 16.774 -15.221 1.00 0.59 N ATOM 702 CA GLU A 135 6.113 15.290 -15.440 1.00 0.67 C ATOM 703 C GLU A 135 5.741 14.587 -14.127 1.00 0.74 C ATOM 704 O GLU A 135 5.026 13.606 -14.118 1.00 0.91 O ATOM 705 CB GLU A 135 7.531 14.910 -15.881 1.00 0.72 C ATOM 706 CG GLU A 135 7.456 14.015 -17.124 1.00 1.16 C ATOM 707 CD GLU A 135 6.884 12.646 -16.746 1.00 1.56 C ATOM 708 OE1 GLU A 135 7.650 11.806 -16.304 1.00 2.03 O ATOM 709 OE2 GLU A 135 5.690 12.459 -16.908 1.00 2.29 O ATOM 0 H GLU A 135 7.032 17.227 -15.406 1.00 0.59 H new ATOM 0 HA GLU A 135 5.379 14.993 -16.189 1.00 0.67 H new ATOM 0 HB2 GLU A 135 8.108 15.808 -16.101 1.00 0.72 H new ATOM 0 HB3 GLU A 135 8.047 14.389 -15.075 1.00 0.72 H new ATOM 0 HG2 GLU A 135 6.830 14.484 -17.883 1.00 1.16 H new ATOM 0 HG3 GLU A 135 8.449 13.897 -17.558 1.00 1.16 H new ATOM 716 N LEU A 136 6.201 15.109 -13.016 1.00 0.73 N ATOM 717 CA LEU A 136 5.848 14.509 -11.693 1.00 0.87 C ATOM 718 C LEU A 136 4.549 15.156 -11.181 1.00 0.81 C ATOM 719 O LEU A 136 3.766 14.536 -10.488 1.00 1.00 O ATOM 720 CB LEU A 136 7.022 14.848 -10.763 1.00 0.99 C ATOM 721 CG LEU A 136 8.208 13.923 -11.055 1.00 1.09 C ATOM 722 CD1 LEU A 136 9.515 14.712 -10.947 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.231 12.770 -10.044 1.00 1.75 C ATOM 0 H LEU A 136 6.808 15.928 -12.969 1.00 0.73 H new ATOM 0 HA LEU A 136 5.686 13.432 -11.748 1.00 0.87 H new ATOM 0 HB2 LEU A 136 7.318 15.888 -10.903 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.715 14.741 -9.723 1.00 0.99 H new ATOM 0 HG LEU A 136 8.104 13.521 -12.063 1.00 1.09 H new ATOM 0 HD11 LEU A 136 10.357 14.052 -11.155 1.00 1.74 H new ATOM 0 HD12 LEU A 136 9.508 15.529 -11.669 1.00 1.74 H new ATOM 0 HD13 LEU A 136 9.613 15.118 -9.940 1.00 1.74 H new ATOM 0 HD21 LEU A 136 9.077 12.116 -10.257 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.328 13.172 -9.036 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.304 12.201 -10.120 1.00 1.75 H new ATOM 735 N MET A 137 4.324 16.406 -11.526 1.00 0.67 N ATOM 736 CA MET A 137 3.087 17.121 -11.072 1.00 0.71 C ATOM 737 C MET A 137 1.823 16.526 -11.709 1.00 0.68 C ATOM 738 O MET A 137 0.761 16.595 -11.135 1.00 0.70 O ATOM 739 CB MET A 137 3.271 18.575 -11.521 1.00 0.82 C ATOM 740 CG MET A 137 3.079 19.512 -10.324 1.00 0.99 C ATOM 741 SD MET A 137 1.367 20.104 -10.275 1.00 0.94 S ATOM 742 CE MET A 137 1.338 20.616 -8.535 1.00 0.53 C ATOM 0 H MET A 137 4.950 16.964 -12.107 1.00 0.67 H new ATOM 0 HA MET A 137 2.957 17.031 -9.994 1.00 0.71 H new ATOM 0 HB2 MET A 137 4.265 18.712 -11.946 1.00 0.82 H new ATOM 0 HB3 MET A 137 2.553 18.818 -12.304 1.00 0.82 H new ATOM 0 HG2 MET A 137 3.319 18.988 -9.399 1.00 0.99 H new ATOM 0 HG3 MET A 137 3.763 20.357 -10.399 1.00 0.99 H new ATOM 0 HE1 MET A 137 0.307 20.782 -8.222 1.00 0.53 H new ATOM 0 HE2 MET A 137 1.783 19.835 -7.918 1.00 0.53 H new ATOM 0 HE3 MET A 137 1.906 21.539 -8.418 1.00 0.53 H new ATOM 752 N LYS A 138 1.916 15.948 -12.886 1.00 0.76 N ATOM 753 CA LYS A 138 0.684 15.366 -13.522 1.00 0.82 C ATOM 754 C LYS A 138 0.044 14.317 -12.604 1.00 0.72 C ATOM 755 O LYS A 138 -1.162 14.236 -12.502 1.00 0.84 O ATOM 756 CB LYS A 138 1.124 14.731 -14.850 1.00 0.99 C ATOM 757 CG LYS A 138 2.292 13.759 -14.636 1.00 1.57 C ATOM 758 CD LYS A 138 1.791 12.316 -14.755 1.00 2.09 C ATOM 759 CE LYS A 138 2.981 11.372 -14.950 1.00 2.74 C ATOM 760 NZ LYS A 138 2.381 10.010 -15.037 1.00 3.43 N1+ ATOM 0 H LYS A 138 2.775 15.854 -13.427 1.00 0.76 H new ATOM 0 HA LYS A 138 -0.065 16.139 -13.693 1.00 0.82 H new ATOM 0 HB2 LYS A 138 0.284 14.202 -15.300 1.00 0.99 H new ATOM 0 HB3 LYS A 138 1.420 15.512 -15.550 1.00 0.99 H new ATOM 0 HG2 LYS A 138 3.073 13.945 -15.374 1.00 1.57 H new ATOM 0 HG3 LYS A 138 2.737 13.920 -13.654 1.00 1.57 H new ATOM 0 HD2 LYS A 138 1.237 12.038 -13.859 1.00 2.09 H new ATOM 0 HD3 LYS A 138 1.103 12.228 -15.596 1.00 2.09 H new ATOM 0 HE2 LYS A 138 3.536 11.618 -15.856 1.00 2.74 H new ATOM 0 HE3 LYS A 138 3.682 11.443 -14.118 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 3.053 9.363 -15.497 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 2.166 9.663 -14.080 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 1.504 10.052 -15.595 1.00 3.43 H new ATOM 774 N ASP A 139 0.838 13.526 -11.922 1.00 0.75 N ATOM 775 CA ASP A 139 0.260 12.500 -11.001 1.00 0.78 C ATOM 776 C ASP A 139 -0.156 13.166 -9.682 1.00 0.70 C ATOM 777 O ASP A 139 -1.191 12.856 -9.122 1.00 0.81 O ATOM 778 CB ASP A 139 1.379 11.480 -10.767 1.00 0.97 C ATOM 779 CG ASP A 139 1.005 10.148 -11.417 1.00 1.16 C ATOM 780 OD1 ASP A 139 0.062 9.530 -10.954 1.00 1.69 O ATOM 781 OD2 ASP A 139 1.669 9.766 -12.363 1.00 1.66 O ATOM 0 H ASP A 139 1.857 13.547 -11.964 1.00 0.75 H new ATOM 0 HA ASP A 139 -0.628 12.023 -11.416 1.00 0.78 H new ATOM 0 HB2 ASP A 139 2.315 11.850 -11.186 1.00 0.97 H new ATOM 0 HB3 ASP A 139 1.541 11.342 -9.698 1.00 0.97 H new ATOM 786 N GLY A 140 0.639 14.088 -9.193 1.00 0.64 N ATOM 787 CA GLY A 140 0.295 14.790 -7.918 1.00 0.62 C ATOM 788 C GLY A 140 -0.891 15.732 -8.151 1.00 0.57 C ATOM 789 O GLY A 140 -1.728 15.913 -7.287 1.00 0.65 O ATOM 0 H GLY A 140 1.514 14.385 -9.625 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.047 14.062 -7.146 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.155 15.355 -7.559 1.00 0.62 H new ATOM 793 N ASP A 141 -0.967 16.329 -9.314 1.00 0.56 N ATOM 794 CA ASP A 141 -2.093 17.255 -9.620 1.00 0.56 C ATOM 795 C ASP A 141 -2.770 16.851 -10.936 1.00 0.58 C ATOM 796 O ASP A 141 -2.694 17.556 -11.926 1.00 0.64 O ATOM 797 CB ASP A 141 -1.452 18.642 -9.743 1.00 0.60 C ATOM 798 CG ASP A 141 -2.378 19.685 -9.126 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.487 19.820 -9.609 1.00 1.14 O ATOM 800 OD2 ASP A 141 -1.970 20.322 -8.171 1.00 1.23 O ATOM 0 H ASP A 141 -0.291 16.212 -10.068 1.00 0.56 H new ATOM 0 HA ASP A 141 -2.864 17.234 -8.849 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.486 18.654 -9.239 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -1.268 18.878 -10.791 1.00 0.60 H new ATOM 805 N LYS A 142 -3.447 15.730 -10.949 1.00 0.62 N ATOM 806 CA LYS A 142 -4.149 15.292 -12.197 1.00 0.70 C ATOM 807 C LYS A 142 -5.255 16.303 -12.554 1.00 0.79 C ATOM 808 O LYS A 142 -5.677 16.396 -13.691 1.00 0.92 O ATOM 809 CB LYS A 142 -4.740 13.915 -11.874 1.00 0.79 C ATOM 810 CG LYS A 142 -3.785 12.819 -12.363 1.00 0.88 C ATOM 811 CD LYS A 142 -4.260 11.457 -11.845 1.00 1.37 C ATOM 812 CE LYS A 142 -3.064 10.510 -11.705 1.00 1.79 C ATOM 813 NZ LYS A 142 -2.530 10.754 -10.334 1.00 2.44 N1+ ATOM 0 H LYS A 142 -3.545 15.100 -10.153 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.479 15.239 -13.055 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.900 13.819 -10.800 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.713 13.804 -12.353 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -3.749 12.813 -13.452 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -2.773 13.021 -12.012 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -4.756 11.577 -10.882 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -4.994 11.033 -12.530 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -3.368 9.471 -11.830 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -2.309 10.715 -12.464 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -1.688 10.164 -10.179 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -2.273 11.757 -10.235 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -3.256 10.512 -9.630 1.00 2.44 H new ATOM 827 N ASN A 143 -5.704 17.079 -11.589 1.00 0.80 N ATOM 828 CA ASN A 143 -6.759 18.109 -11.867 1.00 0.95 C ATOM 829 C ASN A 143 -6.102 19.400 -12.393 1.00 0.92 C ATOM 830 O ASN A 143 -6.773 20.283 -12.892 1.00 1.08 O ATOM 831 CB ASN A 143 -7.462 18.395 -10.524 1.00 1.07 C ATOM 832 CG ASN A 143 -7.524 17.134 -9.654 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.272 16.222 -9.939 1.00 1.95 O ATOM 834 ND2 ASN A 143 -6.767 17.049 -8.595 1.00 1.70 N ATOM 0 H ASN A 143 -5.384 17.042 -10.621 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.466 17.756 -12.617 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -6.929 19.182 -9.991 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -8.471 18.763 -10.709 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -6.804 16.216 -8.007 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -6.138 17.815 -8.355 1.00 1.70 H new ATOM 841 N ASN A 144 -4.792 19.510 -12.271 1.00 0.86 N ATOM 842 CA ASN A 144 -4.059 20.729 -12.745 1.00 0.93 C ATOM 843 C ASN A 144 -4.592 22.003 -12.065 1.00 1.03 C ATOM 844 O ASN A 144 -4.592 23.071 -12.651 1.00 1.71 O ATOM 845 CB ASN A 144 -4.278 20.779 -14.262 1.00 1.08 C ATOM 846 CG ASN A 144 -3.443 19.691 -14.940 1.00 1.49 C ATOM 847 OD1 ASN A 144 -3.977 18.723 -15.441 1.00 2.18 O ATOM 848 ND2 ASN A 144 -2.144 19.810 -14.981 1.00 1.97 N ATOM 0 H ASN A 144 -4.196 18.794 -11.856 1.00 0.86 H new ATOM 0 HA ASN A 144 -2.999 20.678 -12.494 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -5.334 20.636 -14.492 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -3.998 21.759 -14.647 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -1.580 19.091 -15.433 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -1.693 20.623 -14.561 1.00 1.97 H new ATOM 855 N ASP A 145 -5.024 21.908 -10.828 1.00 0.88 N ATOM 856 CA ASP A 145 -5.532 23.127 -10.116 1.00 0.92 C ATOM 857 C ASP A 145 -4.352 23.996 -9.637 1.00 0.91 C ATOM 858 O ASP A 145 -4.491 25.193 -9.467 1.00 1.07 O ATOM 859 CB ASP A 145 -6.388 22.629 -8.934 1.00 0.93 C ATOM 860 CG ASP A 145 -5.680 21.509 -8.169 1.00 1.40 C ATOM 861 OD1 ASP A 145 -4.729 21.802 -7.473 1.00 2.06 O ATOM 862 OD2 ASP A 145 -6.111 20.375 -8.287 1.00 1.89 O ATOM 0 H ASP A 145 -5.047 21.046 -10.284 1.00 0.88 H new ATOM 0 HA ASP A 145 -6.133 23.753 -10.776 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -6.597 23.458 -8.258 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.348 22.269 -9.304 1.00 0.93 H new ATOM 867 N GLY A 146 -3.189 23.409 -9.445 1.00 0.84 N ATOM 868 CA GLY A 146 -2.000 24.211 -9.012 1.00 0.92 C ATOM 869 C GLY A 146 -1.564 23.847 -7.585 1.00 0.66 C ATOM 870 O GLY A 146 -0.399 23.955 -7.251 1.00 0.74 O ATOM 0 H GLY A 146 -3.015 22.412 -9.570 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -1.173 24.039 -9.701 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -2.239 25.273 -9.061 1.00 0.92 H new ATOM 874 N ARG A 147 -2.472 23.422 -6.739 1.00 0.56 N ATOM 875 CA ARG A 147 -2.077 23.068 -5.336 1.00 0.54 C ATOM 876 C ARG A 147 -2.240 21.562 -5.071 1.00 0.46 C ATOM 877 O ARG A 147 -3.259 20.967 -5.366 1.00 0.45 O ATOM 878 CB ARG A 147 -3.000 23.893 -4.424 1.00 0.77 C ATOM 879 CG ARG A 147 -4.474 23.599 -4.737 1.00 1.39 C ATOM 880 CD ARG A 147 -5.265 23.485 -3.430 1.00 1.79 C ATOM 881 NE ARG A 147 -6.251 22.388 -3.667 1.00 2.55 N ATOM 882 CZ ARG A 147 -6.531 21.546 -2.712 1.00 2.87 C ATOM 883 NH1 ARG A 147 -7.151 21.957 -1.641 1.00 3.37 N1+ ATOM 884 NH2 ARG A 147 -6.202 20.293 -2.833 1.00 3.10 N ATOM 0 H ARG A 147 -3.462 23.305 -6.955 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.026 23.292 -5.152 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -2.791 23.660 -3.380 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -2.799 24.956 -4.560 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -4.890 24.393 -5.357 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -4.558 22.673 -5.306 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -4.609 23.251 -2.591 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -5.768 24.422 -3.190 1.00 1.79 H new ATOM 0 HE ARG A 147 -6.705 22.298 -4.576 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -7.417 22.938 -1.550 1.00 3.37 H new ATOM 0 HH12 ARG A 147 -7.370 21.298 -0.894 1.00 3.37 H new ATOM 0 HH21 ARG A 147 -5.725 19.970 -3.675 1.00 3.10 H new ATOM 0 HH22 ARG A 147 -6.421 19.634 -2.086 1.00 3.10 H new ATOM 898 N ILE A 148 -1.235 20.947 -4.508 1.00 0.49 N ATOM 899 CA ILE A 148 -1.308 19.483 -4.212 1.00 0.44 C ATOM 900 C ILE A 148 -1.670 19.262 -2.732 1.00 0.46 C ATOM 901 O ILE A 148 -1.169 19.940 -1.853 1.00 0.63 O ATOM 902 CB ILE A 148 0.098 18.957 -4.547 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.150 18.568 -6.031 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.436 17.731 -3.695 1.00 0.47 C ATOM 905 CD1 ILE A 148 1.506 17.930 -6.352 1.00 0.63 C ATOM 0 H ILE A 148 -0.360 21.397 -4.238 1.00 0.49 H new ATOM 0 HA ILE A 148 -2.075 18.963 -4.787 1.00 0.44 H new ATOM 0 HB ILE A 148 0.824 19.742 -4.335 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.655 17.870 -6.262 1.00 0.56 H new ATOM 0 HG13 ILE A 148 -0.004 19.450 -6.653 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.435 17.376 -3.949 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.404 18.001 -2.640 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.290 16.942 -3.889 1.00 0.47 H new ATOM 0 HD11 ILE A 148 1.538 17.655 -7.406 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.303 18.642 -6.138 1.00 0.63 H new ATOM 0 HD13 ILE A 148 1.642 17.038 -5.740 1.00 0.63 H new ATOM 917 N ASP A 149 -2.546 18.324 -2.461 1.00 0.48 N ATOM 918 CA ASP A 149 -2.960 18.055 -1.046 1.00 0.53 C ATOM 919 C ASP A 149 -2.378 16.722 -0.549 1.00 0.53 C ATOM 920 O ASP A 149 -1.675 16.032 -1.267 1.00 0.63 O ATOM 921 CB ASP A 149 -4.492 17.975 -1.100 1.00 0.58 C ATOM 922 CG ASP A 149 -5.110 18.716 0.091 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.538 18.666 1.169 1.00 1.84 O ATOM 924 OD2 ASP A 149 -6.155 19.315 -0.097 1.00 1.65 O ATOM 0 H ASP A 149 -2.994 17.731 -3.160 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.603 18.825 -0.363 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.852 18.409 -2.033 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.808 16.932 -1.091 1.00 0.58 H new ATOM 929 N TYR A 150 -2.679 16.354 0.675 1.00 0.58 N ATOM 930 CA TYR A 150 -2.162 15.061 1.227 1.00 0.60 C ATOM 931 C TYR A 150 -2.888 13.882 0.567 1.00 0.59 C ATOM 932 O TYR A 150 -2.275 12.895 0.203 1.00 0.63 O ATOM 933 CB TYR A 150 -2.460 15.110 2.728 1.00 0.73 C ATOM 934 CG TYR A 150 -1.642 14.056 3.438 1.00 0.72 C ATOM 935 CD1 TYR A 150 -0.363 14.365 3.916 1.00 1.22 C ATOM 936 CD2 TYR A 150 -2.161 12.768 3.613 1.00 1.15 C ATOM 937 CE1 TYR A 150 0.397 13.387 4.570 1.00 1.56 C ATOM 938 CE2 TYR A 150 -1.402 11.790 4.266 1.00 1.43 C ATOM 939 CZ TYR A 150 -0.121 12.099 4.744 1.00 1.48 C ATOM 940 OH TYR A 150 0.632 11.137 5.391 1.00 1.96 O ATOM 0 H TYR A 150 -3.261 16.894 1.315 1.00 0.58 H new ATOM 0 HA TYR A 150 -1.097 14.928 1.036 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -2.224 16.097 3.125 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -3.522 14.941 2.905 1.00 0.73 H new ATOM 0 HD1 TYR A 150 0.038 15.359 3.780 1.00 1.22 H new ATOM 0 HD2 TYR A 150 -3.147 12.529 3.244 1.00 1.15 H new ATOM 0 HE1 TYR A 150 1.383 13.627 4.940 1.00 1.56 H new ATOM 0 HE2 TYR A 150 -1.804 10.797 4.402 1.00 1.43 H new ATOM 0 HH TYR A 150 0.127 10.298 5.430 1.00 1.96 H new ATOM 950 N ASP A 151 -4.186 13.986 0.398 1.00 0.64 N ATOM 951 CA ASP A 151 -4.956 12.882 -0.259 1.00 0.70 C ATOM 952 C ASP A 151 -4.387 12.626 -1.661 1.00 0.63 C ATOM 953 O ASP A 151 -4.228 11.495 -2.081 1.00 0.77 O ATOM 954 CB ASP A 151 -6.398 13.395 -0.348 1.00 0.79 C ATOM 955 CG ASP A 151 -7.081 13.260 1.013 1.00 1.24 C ATOM 956 OD1 ASP A 151 -6.753 14.032 1.900 1.00 1.90 O ATOM 957 OD2 ASP A 151 -7.925 12.390 1.145 1.00 1.83 O ATOM 0 H ASP A 151 -4.745 14.789 0.687 1.00 0.64 H new ATOM 0 HA ASP A 151 -4.898 11.944 0.293 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.404 14.438 -0.666 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -6.949 12.829 -1.099 1.00 0.79 H new ATOM 962 N GLU A 152 -4.061 13.680 -2.374 1.00 0.54 N ATOM 963 CA GLU A 152 -3.477 13.524 -3.743 1.00 0.56 C ATOM 964 C GLU A 152 -2.065 12.936 -3.643 1.00 0.52 C ATOM 965 O GLU A 152 -1.642 12.164 -4.485 1.00 0.65 O ATOM 966 CB GLU A 152 -3.408 14.941 -4.316 1.00 0.60 C ATOM 967 CG GLU A 152 -4.819 15.479 -4.562 1.00 0.77 C ATOM 968 CD GLU A 152 -4.732 16.774 -5.367 1.00 0.72 C ATOM 969 OE1 GLU A 152 -4.668 16.689 -6.581 1.00 1.17 O ATOM 970 OE2 GLU A 152 -4.724 17.833 -4.758 1.00 1.40 O ATOM 0 H GLU A 152 -4.176 14.645 -2.064 1.00 0.54 H new ATOM 0 HA GLU A 152 -4.071 12.857 -4.368 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -2.876 15.595 -3.625 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.844 14.937 -5.249 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -5.413 14.741 -5.101 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.322 15.661 -3.612 1.00 0.77 H new ATOM 977 N PHE A 153 -1.336 13.308 -2.617 1.00 0.46 N ATOM 978 CA PHE A 153 0.056 12.795 -2.436 1.00 0.46 C ATOM 979 C PHE A 153 0.071 11.260 -2.412 1.00 0.50 C ATOM 980 O PHE A 153 0.925 10.636 -3.012 1.00 0.64 O ATOM 981 CB PHE A 153 0.505 13.366 -1.087 1.00 0.49 C ATOM 982 CG PHE A 153 1.950 13.013 -0.832 1.00 0.48 C ATOM 983 CD1 PHE A 153 2.904 13.178 -1.844 1.00 0.52 C ATOM 984 CD2 PHE A 153 2.335 12.523 0.420 1.00 0.62 C ATOM 985 CE1 PHE A 153 4.241 12.852 -1.603 1.00 0.61 C ATOM 986 CE2 PHE A 153 3.673 12.198 0.662 1.00 0.73 C ATOM 987 CZ PHE A 153 4.626 12.362 -0.350 1.00 0.68 C ATOM 0 H PHE A 153 -1.651 13.952 -1.891 1.00 0.46 H new ATOM 0 HA PHE A 153 0.716 13.093 -3.250 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.380 14.449 -1.082 1.00 0.49 H new ATOM 0 HB3 PHE A 153 -0.121 12.969 -0.288 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.606 13.557 -2.810 1.00 0.52 H new ATOM 0 HD2 PHE A 153 1.599 12.396 1.200 1.00 0.62 H new ATOM 0 HE1 PHE A 153 4.977 12.978 -2.383 1.00 0.61 H new ATOM 0 HE2 PHE A 153 3.971 11.821 1.629 1.00 0.73 H new ATOM 0 HZ PHE A 153 5.660 12.110 -0.164 1.00 0.68 H new ATOM 997 N LEU A 154 -0.871 10.650 -1.734 1.00 0.53 N ATOM 998 CA LEU A 154 -0.914 9.153 -1.684 1.00 0.62 C ATOM 999 C LEU A 154 -1.115 8.587 -3.097 1.00 0.65 C ATOM 1000 O LEU A 154 -0.481 7.622 -3.482 1.00 0.83 O ATOM 1001 CB LEU A 154 -2.108 8.811 -0.783 1.00 0.75 C ATOM 1002 CG LEU A 154 -1.622 8.544 0.648 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -0.585 7.416 0.647 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -0.989 9.817 1.219 1.00 1.20 C ATOM 0 H LEU A 154 -1.611 11.122 -1.214 1.00 0.53 H new ATOM 0 HA LEU A 154 0.011 8.725 -1.299 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -2.824 9.633 -0.786 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -2.627 7.934 -1.170 1.00 0.75 H new ATOM 0 HG LEU A 154 -2.472 8.249 1.264 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -0.245 7.233 1.666 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -1.035 6.508 0.246 1.00 1.65 H new ATOM 0 HD13 LEU A 154 0.265 7.703 0.028 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -0.644 9.627 2.235 1.00 1.20 H new ATOM 0 HD22 LEU A 154 -0.144 10.113 0.598 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -1.729 10.618 1.230 1.00 1.20 H new ATOM 1016 N GLU A 155 -1.976 9.196 -3.877 1.00 0.69 N ATOM 1017 CA GLU A 155 -2.204 8.711 -5.274 1.00 0.81 C ATOM 1018 C GLU A 155 -1.000 9.057 -6.170 1.00 0.76 C ATOM 1019 O GLU A 155 -0.870 8.551 -7.267 1.00 0.90 O ATOM 1020 CB GLU A 155 -3.464 9.439 -5.750 1.00 0.97 C ATOM 1021 CG GLU A 155 -4.327 8.480 -6.577 1.00 1.41 C ATOM 1022 CD GLU A 155 -4.017 8.662 -8.064 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -4.441 9.664 -8.617 1.00 2.57 O ATOM 1024 OE2 GLU A 155 -3.358 7.803 -8.624 1.00 2.77 O ATOM 0 H GLU A 155 -2.530 10.008 -3.606 1.00 0.69 H new ATOM 0 HA GLU A 155 -2.321 7.628 -5.317 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -4.029 9.807 -4.894 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -3.191 10.308 -6.349 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -4.132 7.450 -6.278 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -5.383 8.672 -6.389 1.00 1.41 H new ATOM 1031 N PHE A 156 -0.111 9.906 -5.709 1.00 0.66 N ATOM 1032 CA PHE A 156 1.082 10.263 -6.532 1.00 0.77 C ATOM 1033 C PHE A 156 2.282 9.401 -6.108 1.00 0.71 C ATOM 1034 O PHE A 156 2.891 8.734 -6.922 1.00 0.88 O ATOM 1035 CB PHE A 156 1.337 11.750 -6.242 1.00 0.84 C ATOM 1036 CG PHE A 156 2.771 12.101 -6.574 1.00 1.01 C ATOM 1037 CD1 PHE A 156 3.126 12.430 -7.887 1.00 1.49 C ATOM 1038 CD2 PHE A 156 3.748 12.087 -5.569 1.00 1.09 C ATOM 1039 CE1 PHE A 156 4.454 12.745 -8.196 1.00 1.72 C ATOM 1040 CE2 PHE A 156 5.075 12.403 -5.879 1.00 1.31 C ATOM 1041 CZ PHE A 156 5.427 12.732 -7.193 1.00 1.53 C ATOM 0 H PHE A 156 -0.163 10.365 -4.799 1.00 0.66 H new ATOM 0 HA PHE A 156 0.928 10.087 -7.597 1.00 0.77 H new ATOM 0 HB2 PHE A 156 0.657 12.366 -6.831 1.00 0.84 H new ATOM 0 HB3 PHE A 156 1.134 11.965 -5.193 1.00 0.84 H new ATOM 0 HD1 PHE A 156 2.374 12.441 -8.663 1.00 1.49 H new ATOM 0 HD2 PHE A 156 3.476 11.832 -4.555 1.00 1.09 H new ATOM 0 HE1 PHE A 156 4.727 12.998 -9.210 1.00 1.72 H new ATOM 0 HE2 PHE A 156 5.828 12.393 -5.105 1.00 1.31 H new ATOM 0 HZ PHE A 156 6.452 12.976 -7.432 1.00 1.53 H new ATOM 1051 N MET A 157 2.619 9.418 -4.838 1.00 0.61 N ATOM 1052 CA MET A 157 3.782 8.614 -4.341 1.00 0.69 C ATOM 1053 C MET A 157 3.619 7.118 -4.674 1.00 0.83 C ATOM 1054 O MET A 157 4.594 6.395 -4.729 1.00 1.17 O ATOM 1055 CB MET A 157 3.828 8.875 -2.821 1.00 0.84 C ATOM 1056 CG MET A 157 3.972 7.566 -2.031 1.00 0.92 C ATOM 1057 SD MET A 157 5.656 6.913 -2.205 1.00 1.56 S ATOM 1058 CE MET A 157 6.535 8.246 -1.353 1.00 0.90 C ATOM 0 H MET A 157 2.135 9.958 -4.121 1.00 0.61 H new ATOM 0 HA MET A 157 4.717 8.905 -4.821 1.00 0.69 H new ATOM 0 HB2 MET A 157 4.664 9.535 -2.589 1.00 0.84 H new ATOM 0 HB3 MET A 157 2.919 9.390 -2.511 1.00 0.84 H new ATOM 0 HG2 MET A 157 3.749 7.741 -0.979 1.00 0.92 H new ATOM 0 HG3 MET A 157 3.251 6.833 -2.392 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.608 8.060 -1.396 1.00 0.90 H new ATOM 0 HE2 MET A 157 6.312 9.197 -1.837 1.00 0.90 H new ATOM 0 HE3 MET A 157 6.215 8.285 -0.312 1.00 0.90 H new ATOM 1068 N LYS A 158 2.410 6.648 -4.912 1.00 0.86 N ATOM 1069 CA LYS A 158 2.222 5.195 -5.259 1.00 1.07 C ATOM 1070 C LYS A 158 3.197 4.775 -6.378 1.00 1.36 C ATOM 1071 O LYS A 158 3.566 3.622 -6.481 1.00 1.73 O ATOM 1072 CB LYS A 158 0.760 5.044 -5.717 1.00 1.28 C ATOM 1073 CG LYS A 158 0.441 6.026 -6.852 1.00 1.66 C ATOM 1074 CD LYS A 158 0.542 5.310 -8.203 1.00 2.24 C ATOM 1075 CE LYS A 158 -0.021 6.207 -9.311 1.00 2.85 C ATOM 1076 NZ LYS A 158 0.844 7.422 -9.310 1.00 3.52 N1+ ATOM 0 H LYS A 158 1.554 7.201 -4.881 1.00 0.86 H new ATOM 0 HA LYS A 158 2.430 4.553 -4.403 1.00 1.07 H new ATOM 0 HB2 LYS A 158 0.583 4.022 -6.053 1.00 1.28 H new ATOM 0 HB3 LYS A 158 0.090 5.223 -4.876 1.00 1.28 H new ATOM 0 HG2 LYS A 158 -0.561 6.434 -6.721 1.00 1.66 H new ATOM 0 HG3 LYS A 158 1.134 6.867 -6.823 1.00 1.66 H new ATOM 0 HD2 LYS A 158 1.582 5.062 -8.417 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -0.009 4.370 -8.169 1.00 2.24 H new ATOM 0 HE2 LYS A 158 0.008 5.704 -10.278 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -1.062 6.465 -9.117 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 0.702 7.950 -10.195 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 0.592 8.027 -8.502 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 1.841 7.138 -9.232 1.00 3.52 H new ATOM 1090 N GLY A 159 3.627 5.709 -7.200 1.00 1.73 N ATOM 1091 CA GLY A 159 4.595 5.379 -8.290 1.00 2.35 C ATOM 1092 C GLY A 159 5.764 6.375 -8.254 1.00 2.13 C ATOM 1093 O GLY A 159 6.285 6.766 -9.282 1.00 2.59 O ATOM 0 H GLY A 159 3.345 6.688 -7.159 1.00 1.73 H new ATOM 0 HA2 GLY A 159 4.966 4.362 -8.166 1.00 2.35 H new ATOM 0 HA3 GLY A 159 4.097 5.421 -9.259 1.00 2.35 H new ATOM 1097 N VAL A 160 6.176 6.790 -7.075 1.00 1.87 N ATOM 1098 CA VAL A 160 7.310 7.764 -6.959 1.00 1.87 C ATOM 1099 C VAL A 160 8.249 7.335 -5.814 1.00 2.39 C ATOM 1100 O VAL A 160 8.467 8.070 -4.867 1.00 3.11 O ATOM 1101 CB VAL A 160 6.655 9.125 -6.648 1.00 1.68 C ATOM 1102 CG1 VAL A 160 7.717 10.232 -6.659 1.00 1.89 C ATOM 1103 CG2 VAL A 160 5.591 9.454 -7.700 1.00 1.76 C ATOM 0 H VAL A 160 5.773 6.494 -6.186 1.00 1.87 H new ATOM 0 HA VAL A 160 7.910 7.812 -7.868 1.00 1.87 H new ATOM 0 HB VAL A 160 6.191 9.066 -5.664 1.00 1.68 H new ATOM 0 HG11 VAL A 160 7.246 11.190 -6.439 1.00 1.89 H new ATOM 0 HG12 VAL A 160 8.474 10.017 -5.905 1.00 1.89 H new ATOM 0 HG13 VAL A 160 8.186 10.276 -7.642 1.00 1.89 H new ATOM 0 HG21 VAL A 160 5.136 10.417 -7.469 1.00 1.76 H new ATOM 0 HG22 VAL A 160 6.055 9.499 -8.685 1.00 1.76 H new ATOM 0 HG23 VAL A 160 4.823 8.680 -7.696 1.00 1.76 H new ATOM 1113 N GLU A 161 8.802 6.148 -5.895 1.00 2.52 N ATOM 1114 CA GLU A 161 9.726 5.667 -4.815 1.00 3.28 C ATOM 1115 C GLU A 161 11.188 5.729 -5.283 1.00 3.90 C ATOM 1116 O GLU A 161 12.055 5.804 -4.429 1.00 4.34 O ATOM 1117 CB GLU A 161 9.315 4.217 -4.541 1.00 3.49 C ATOM 1118 CG GLU A 161 7.913 4.185 -3.923 1.00 4.11 C ATOM 1119 CD GLU A 161 6.950 3.485 -4.880 1.00 4.29 C ATOM 1120 OE1 GLU A 161 6.872 2.269 -4.829 1.00 4.56 O ATOM 1121 OE2 GLU A 161 6.308 4.177 -5.651 1.00 4.60 O ATOM 1122 OXT GLU A 161 11.418 5.699 -6.482 1.00 4.37 O ATOM 0 H GLU A 161 8.654 5.491 -6.661 1.00 2.52 H new ATOM 0 HA GLU A 161 9.655 6.286 -3.921 1.00 3.28 H new ATOM 0 HB2 GLU A 161 9.327 3.644 -5.468 1.00 3.49 H new ATOM 0 HB3 GLU A 161 10.031 3.747 -3.867 1.00 3.49 H new ATOM 0 HG2 GLU A 161 7.937 3.662 -2.967 1.00 4.11 H new ATOM 0 HG3 GLU A 161 7.569 5.200 -3.722 1.00 4.11 H new TER 1129 GLU A 161 HETATM 1130 CA CA A 1 3.253 24.408 1.001 1.00 0.75 CA HETATM 1131 CA CA A 2 -4.106 19.206 -7.008 1.00 0.00 CA HETATM 1132 C1 STL A 162 12.200 10.343 -2.518 1.00 20.00 C HETATM 1133 C2 STL A 162 12.669 9.343 -3.386 1.00 20.00 C HETATM 1134 C3 STL A 162 12.299 9.352 -4.740 1.00 20.00 C HETATM 1135 C4 STL A 162 11.455 10.364 -5.231 1.00 20.00 C HETATM 1136 C5 STL A 162 10.970 11.360 -4.370 1.00 20.00 C HETATM 1137 C6 STL A 162 11.351 11.358 -3.016 1.00 20.00 C HETATM 1138 C7 STL A 162 10.085 12.343 -4.793 1.00 20.00 C HETATM 1139 C8 STL A 162 8.996 12.816 -4.040 1.00 20.00 C HETATM 1140 C9 STL A 162 8.067 13.794 -4.377 1.00 20.00 C HETATM 1141 C10 STL A 162 8.002 14.414 -5.648 1.00 20.00 C HETATM 1142 C11 STL A 162 7.005 15.387 -5.903 1.00 20.00 C HETATM 1143 C12 STL A 162 6.104 15.712 -4.862 1.00 20.00 C HETATM 1144 C13 STL A 162 6.166 15.101 -3.591 1.00 20.00 C HETATM 1145 C14 STL A 162 7.156 14.137 -3.348 1.00 20.00 C HETATM 1146 O1 STL A 162 5.144 16.635 -5.093 1.00 20.00 O HETATM 1147 O2 STL A 162 12.749 8.389 -5.586 1.00 20.00 O HETATM 1148 O3 STL A 162 12.554 10.338 -1.213 1.00 20.00 O HETATM 0 HO3 STL A 162 12.141 11.102 -0.759 1.00 20.00 H new HETATM 0 HO2 STL A 162 12.392 8.550 -6.484 1.00 20.00 H new HETATM 0 HO1 STL A 162 4.601 16.751 -4.286 1.00 20.00 H new HETATM 0 H8 STL A 162 8.862 12.354 -3.062 1.00 20.00 H new HETATM 0 H7 STL A 162 10.246 12.779 -5.779 1.00 20.00 H new HETATM 0 H6 STL A 162 10.991 12.141 -2.349 1.00 20.00 H new HETATM 0 H4 STL A 162 11.176 10.375 -6.285 1.00 20.00 H new HETATM 0 H2 STL A 162 13.322 8.557 -3.007 1.00 20.00 H new HETATM 0 H14 STL A 162 7.224 13.655 -2.373 1.00 20.00 H new HETATM 0 H13 STL A 162 5.456 15.374 -2.810 1.00 20.00 H new HETATM 0 H11 STL A 162 6.934 15.873 -6.876 1.00 20.00 H new HETATM 0 H10 STL A 162 8.716 14.144 -6.426 1.00 20.00 H new