USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 491 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 ASN : amide:sc= -0.0687 K(o=1.6,f=-5.2!) USER MOD Set 1.2: A 48 GLN : amide:sc= 1.17 K(o=1.6,f=-2.9) USER MOD Set 1.3: A 51 GLN : amide:sc= 0.549 K(o=1.6,f=-2.8) USER MOD Set 2.1: A 46 MET CE :methyl -165:sc= -0.0069 (180deg=-0.278) USER MOD Set 2.2: A 47 GLN : amide:sc= -0.656 X(o=-0.66,f=-0.19) USER MOD Set 3.1: A 43 LYS NZ :NH3+ 180:sc= 0.759 (180deg=0) USER MOD Set 3.2: A 50 SER OG : rot 49:sc= 1.26 USER MOD Set 4.1: A 1 MET N :NH3+ 180:sc= 0.667 (180deg=-0.109) USER MOD Set 4.2: A 3 SER OG : rot -138:sc= 0.792 USER MOD Single : A 1 MET CE :methyl -171:sc=-0.00109 (180deg=-0.128) USER MOD Single : A 9 GLN : amide:sc= 0.174 K(o=0.17,f=-1.5) USER MOD Single : A 10 LYS NZ :NH3+ -119:sc= 0.0519 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -178:sc= 0.88 (180deg=0.876) USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0739) USER MOD Single : A 22 SER OG : rot 24:sc= 2.16 USER MOD Single : A 23 THR OG1 : rot -45:sc= 0.7 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 85:sc= 1.06 USER MOD Single : A 32 THR OG1 : rot 80:sc= 2.16 USER MOD Single : A 33 SER OG : rot 78:sc= 1.17 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 77:sc= 1.07 USER MOD Single : A 37 LYS NZ :NH3+ -134:sc=0.000574 (180deg=-0.0225) USER MOD Single : A 40 THR OG1 : rot 77:sc= 1.23 USER MOD Single : A 45 LYS NZ :NH3+ -155:sc= 0.856 (180deg=0.273) USER MOD Single : A 49 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.067) USER MOD Single : A 52 LYS NZ :NH3+ 170:sc= -0.0137 (180deg=-0.154) USER MOD Single : A 53 LYS NZ :NH3+ -164:sc= -0.0148 (180deg=-0.233) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.469 9.606 10.741 1.00 0.00 N ATOM 2 CA MET A 1 -16.124 9.901 10.272 1.00 0.00 C ATOM 3 C MET A 1 -15.433 8.604 9.854 1.00 0.00 C ATOM 4 O MET A 1 -14.884 8.509 8.759 1.00 0.00 O ATOM 5 CB MET A 1 -15.336 10.711 11.314 1.00 0.00 C ATOM 6 CG MET A 1 -15.183 10.029 12.683 1.00 0.00 C ATOM 7 SD MET A 1 -14.402 11.034 13.973 1.00 0.00 S ATOM 8 CE MET A 1 -12.759 11.284 13.263 1.00 0.00 C ATOM 0 H1 MET A 1 -17.939 10.489 11.025 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.012 9.155 9.977 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.419 8.962 11.556 1.00 0.00 H new ATOM 0 HA MET A 1 -16.173 10.538 9.389 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.343 10.920 10.915 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.831 11.672 11.456 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.171 9.726 13.031 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.598 9.118 12.552 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.108 11.747 14.005 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.342 10.322 12.964 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.834 11.934 12.391 1.00 0.00 H new ATOM 18 N ALA A 2 -15.536 7.573 10.697 1.00 0.00 N ATOM 19 CA ALA A 2 -15.116 6.228 10.332 1.00 0.00 C ATOM 20 C ALA A 2 -15.863 5.791 9.070 1.00 0.00 C ATOM 21 O ALA A 2 -15.275 5.204 8.170 1.00 0.00 O ATOM 22 CB ALA A 2 -15.369 5.268 11.495 1.00 0.00 C ATOM 0 H ALA A 2 -15.910 7.651 11.643 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.047 6.216 10.120 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -15.052 4.264 11.213 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.803 5.596 12.367 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.432 5.259 11.735 1.00 0.00 H new ATOM 28 N SER A 3 -17.151 6.134 8.993 1.00 0.00 N ATOM 29 CA SER A 3 -17.977 6.005 7.805 1.00 0.00 C ATOM 30 C SER A 3 -17.244 6.545 6.575 1.00 0.00 C ATOM 31 O SER A 3 -17.005 5.822 5.607 1.00 0.00 O ATOM 32 CB SER A 3 -19.254 6.813 8.069 1.00 0.00 C ATOM 33 OG SER A 3 -18.922 8.035 8.723 1.00 0.00 O ATOM 0 H SER A 3 -17.659 6.522 9.788 1.00 0.00 H new ATOM 0 HA SER A 3 -18.209 4.959 7.604 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.766 7.020 7.129 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.941 6.234 8.686 1.00 0.00 H new ATOM 0 HG SER A 3 -19.573 8.213 9.434 1.00 0.00 H new ATOM 39 N VAL A 4 -16.904 7.833 6.635 1.00 0.00 N ATOM 40 CA VAL A 4 -16.238 8.569 5.571 1.00 0.00 C ATOM 41 C VAL A 4 -14.937 7.858 5.182 1.00 0.00 C ATOM 42 O VAL A 4 -14.730 7.524 4.015 1.00 0.00 O ATOM 43 CB VAL A 4 -16.000 10.031 5.994 1.00 0.00 C ATOM 44 CG1 VAL A 4 -15.456 10.848 4.814 1.00 0.00 C ATOM 45 CG2 VAL A 4 -17.294 10.683 6.502 1.00 0.00 C ATOM 0 H VAL A 4 -17.093 8.408 7.456 1.00 0.00 H new ATOM 0 HA VAL A 4 -16.878 8.593 4.689 1.00 0.00 H new ATOM 0 HB VAL A 4 -15.270 10.022 6.803 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -15.293 11.879 5.129 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -14.512 10.418 4.478 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -16.176 10.828 3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -17.092 11.714 6.793 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -18.043 10.669 5.711 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -17.666 10.129 7.364 1.00 0.00 H new ATOM 55 N LEU A 5 -14.068 7.610 6.165 1.00 0.00 N ATOM 56 CA LEU A 5 -12.805 6.919 5.934 1.00 0.00 C ATOM 57 C LEU A 5 -13.050 5.599 5.197 1.00 0.00 C ATOM 58 O LEU A 5 -12.483 5.368 4.132 1.00 0.00 O ATOM 59 CB LEU A 5 -12.070 6.677 7.262 1.00 0.00 C ATOM 60 CG LEU A 5 -11.610 7.960 7.976 1.00 0.00 C ATOM 61 CD1 LEU A 5 -11.052 7.598 9.358 1.00 0.00 C ATOM 62 CD2 LEU A 5 -10.526 8.702 7.186 1.00 0.00 C ATOM 0 H LEU A 5 -14.222 7.882 7.136 1.00 0.00 H new ATOM 0 HA LEU A 5 -12.172 7.549 5.309 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.726 6.119 7.930 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -11.199 6.049 7.072 1.00 0.00 H new ATOM 0 HG LEU A 5 -12.475 8.617 8.064 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.725 8.505 9.867 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -11.828 7.111 9.948 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -10.205 6.921 9.243 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -10.232 9.601 7.728 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -9.659 8.054 7.061 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.915 8.980 6.207 1.00 0.00 H new ATOM 74 N GLU A 6 -13.905 4.742 5.757 1.00 0.00 N ATOM 75 CA GLU A 6 -14.173 3.422 5.214 1.00 0.00 C ATOM 76 C GLU A 6 -14.724 3.490 3.791 1.00 0.00 C ATOM 77 O GLU A 6 -14.218 2.781 2.926 1.00 0.00 O ATOM 78 CB GLU A 6 -15.107 2.640 6.147 1.00 0.00 C ATOM 79 CG GLU A 6 -14.401 2.234 7.450 1.00 0.00 C ATOM 80 CD GLU A 6 -13.302 1.204 7.210 1.00 0.00 C ATOM 81 OE1 GLU A 6 -13.670 0.039 6.945 1.00 0.00 O ATOM 82 OE2 GLU A 6 -12.118 1.600 7.286 1.00 0.00 O ATOM 0 H GLU A 6 -14.431 4.952 6.605 1.00 0.00 H new ATOM 0 HA GLU A 6 -13.226 2.886 5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.980 3.249 6.381 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.468 1.748 5.636 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.972 3.119 7.920 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.133 1.826 8.147 1.00 0.00 H new ATOM 89 N GLU A 7 -15.754 4.303 3.526 1.00 0.00 N ATOM 90 CA GLU A 7 -16.331 4.335 2.184 1.00 0.00 C ATOM 91 C GLU A 7 -15.283 4.773 1.156 1.00 0.00 C ATOM 92 O GLU A 7 -15.127 4.129 0.117 1.00 0.00 O ATOM 93 CB GLU A 7 -17.634 5.154 2.126 1.00 0.00 C ATOM 94 CG GLU A 7 -17.437 6.665 2.291 1.00 0.00 C ATOM 95 CD GLU A 7 -18.748 7.444 2.310 1.00 0.00 C ATOM 96 OE1 GLU A 7 -19.704 6.949 2.945 1.00 0.00 O ATOM 97 OE2 GLU A 7 -18.767 8.541 1.709 1.00 0.00 O ATOM 0 H GLU A 7 -16.192 4.928 4.203 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.628 3.321 1.917 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.126 4.966 1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.307 4.800 2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.896 6.855 3.218 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.814 7.035 1.476 1.00 0.00 H new ATOM 104 N LEU A 8 -14.538 5.846 1.453 1.00 0.00 N ATOM 105 CA LEU A 8 -13.521 6.334 0.532 1.00 0.00 C ATOM 106 C LEU A 8 -12.421 5.277 0.360 1.00 0.00 C ATOM 107 O LEU A 8 -12.004 5.008 -0.766 1.00 0.00 O ATOM 108 CB LEU A 8 -12.974 7.700 0.983 1.00 0.00 C ATOM 109 CG LEU A 8 -14.046 8.798 1.105 1.00 0.00 C ATOM 110 CD1 LEU A 8 -13.403 10.047 1.717 1.00 0.00 C ATOM 111 CD2 LEU A 8 -14.670 9.164 -0.245 1.00 0.00 C ATOM 0 H LEU A 8 -14.624 6.383 2.316 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.971 6.498 -0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.480 7.581 1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.214 8.027 0.274 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.846 8.413 1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.152 10.834 1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.006 9.806 2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -12.593 10.391 1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -15.419 9.943 -0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -13.894 9.528 -0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.142 8.282 -0.679 1.00 0.00 H new ATOM 123 N GLN A 9 -11.973 4.650 1.454 1.00 0.00 N ATOM 124 CA GLN A 9 -10.976 3.585 1.392 1.00 0.00 C ATOM 125 C GLN A 9 -11.472 2.446 0.498 1.00 0.00 C ATOM 126 O GLN A 9 -10.767 2.052 -0.425 1.00 0.00 O ATOM 127 CB GLN A 9 -10.607 3.097 2.804 1.00 0.00 C ATOM 128 CG GLN A 9 -9.264 2.350 2.869 1.00 0.00 C ATOM 129 CD GLN A 9 -9.240 1.008 2.137 1.00 0.00 C ATOM 130 OE1 GLN A 9 -10.213 0.262 2.153 1.00 0.00 O ATOM 131 NE2 GLN A 9 -8.119 0.690 1.494 1.00 0.00 N ATOM 0 H GLN A 9 -12.291 4.867 2.398 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.064 3.980 0.945 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.569 3.954 3.476 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.396 2.440 3.169 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.488 2.990 2.450 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.008 2.182 3.915 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.327 1.333 1.500 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.051 -0.197 0.995 1.00 0.00 H new ATOM 140 N LYS A 10 -12.671 1.920 0.759 1.00 0.00 N ATOM 141 CA LYS A 10 -13.256 0.833 -0.014 1.00 0.00 C ATOM 142 C LYS A 10 -13.315 1.218 -1.491 1.00 0.00 C ATOM 143 O LYS A 10 -12.902 0.446 -2.354 1.00 0.00 O ATOM 144 CB LYS A 10 -14.644 0.480 0.546 1.00 0.00 C ATOM 145 CG LYS A 10 -15.456 -0.489 -0.330 1.00 0.00 C ATOM 146 CD LYS A 10 -14.725 -1.810 -0.618 1.00 0.00 C ATOM 147 CE LYS A 10 -15.588 -2.703 -1.515 1.00 0.00 C ATOM 148 NZ LYS A 10 -14.877 -3.938 -1.888 1.00 0.00 N ATOM 0 H LYS A 10 -13.266 2.243 1.522 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.632 -0.057 0.069 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -14.522 0.040 1.536 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.215 1.400 0.674 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -16.403 -0.707 0.164 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.694 -0.000 -1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.770 -1.608 -1.103 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -14.505 -2.325 0.317 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -16.513 -2.956 -0.997 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -15.867 -2.156 -2.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.771 -3.979 -2.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.937 -3.945 -1.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -15.420 -4.763 -1.563 1.00 0.00 H new ATOM 162 N ASP A 11 -13.827 2.412 -1.788 1.00 0.00 N ATOM 163 CA ASP A 11 -13.879 2.916 -3.150 1.00 0.00 C ATOM 164 C ASP A 11 -12.481 2.878 -3.796 1.00 0.00 C ATOM 165 O ASP A 11 -12.307 2.300 -4.870 1.00 0.00 O ATOM 166 CB ASP A 11 -14.502 4.315 -3.126 1.00 0.00 C ATOM 167 CG ASP A 11 -14.519 4.937 -4.509 1.00 0.00 C ATOM 168 OD1 ASP A 11 -13.409 5.282 -4.960 1.00 0.00 O ATOM 169 OD2 ASP A 11 -15.621 5.052 -5.089 1.00 0.00 O ATOM 0 H ASP A 11 -14.214 3.050 -1.092 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.507 2.281 -3.775 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.520 4.255 -2.740 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -13.940 4.954 -2.445 1.00 0.00 H new ATOM 174 N LEU A 12 -11.484 3.468 -3.125 1.00 0.00 N ATOM 175 CA LEU A 12 -10.095 3.480 -3.578 1.00 0.00 C ATOM 176 C LEU A 12 -9.625 2.047 -3.856 1.00 0.00 C ATOM 177 O LEU A 12 -9.128 1.742 -4.939 1.00 0.00 O ATOM 178 CB LEU A 12 -9.222 4.188 -2.524 1.00 0.00 C ATOM 179 CG LEU A 12 -7.877 4.723 -3.046 1.00 0.00 C ATOM 180 CD1 LEU A 12 -7.290 5.675 -1.996 1.00 0.00 C ATOM 181 CD2 LEU A 12 -6.854 3.614 -3.323 1.00 0.00 C ATOM 0 H LEU A 12 -11.625 3.956 -2.241 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.006 4.035 -4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.788 5.019 -2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.027 3.491 -1.709 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.074 5.228 -3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.335 6.064 -2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.979 6.503 -1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.138 5.136 -1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.927 4.057 -3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.655 3.064 -2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.251 2.932 -4.075 1.00 0.00 H new ATOM 193 N GLU A 13 -9.809 1.163 -2.875 1.00 0.00 N ATOM 194 CA GLU A 13 -9.474 -0.249 -2.955 1.00 0.00 C ATOM 195 C GLU A 13 -10.078 -0.856 -4.222 1.00 0.00 C ATOM 196 O GLU A 13 -9.379 -1.517 -4.985 1.00 0.00 O ATOM 197 CB GLU A 13 -9.978 -0.965 -1.689 1.00 0.00 C ATOM 198 CG GLU A 13 -9.355 -2.352 -1.492 1.00 0.00 C ATOM 199 CD GLU A 13 -7.877 -2.276 -1.123 1.00 0.00 C ATOM 200 OE1 GLU A 13 -7.564 -1.514 -0.181 1.00 0.00 O ATOM 201 OE2 GLU A 13 -7.087 -2.977 -1.790 1.00 0.00 O ATOM 0 H GLU A 13 -10.209 1.425 -1.974 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.393 -0.373 -3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.758 -0.348 -0.818 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.062 -1.065 -1.743 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.896 -2.883 -0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.469 -2.932 -2.408 1.00 0.00 H new ATOM 208 N GLU A 14 -11.374 -0.622 -4.446 1.00 0.00 N ATOM 209 CA GLU A 14 -12.090 -1.149 -5.594 1.00 0.00 C ATOM 210 C GLU A 14 -11.403 -0.720 -6.891 1.00 0.00 C ATOM 211 O GLU A 14 -11.003 -1.577 -7.682 1.00 0.00 O ATOM 212 CB GLU A 14 -13.565 -0.714 -5.536 1.00 0.00 C ATOM 213 CG GLU A 14 -14.441 -1.478 -6.541 1.00 0.00 C ATOM 214 CD GLU A 14 -14.517 -2.971 -6.229 1.00 0.00 C ATOM 215 OE1 GLU A 14 -14.917 -3.294 -5.090 1.00 0.00 O ATOM 216 OE2 GLU A 14 -14.166 -3.759 -7.133 1.00 0.00 O ATOM 0 H GLU A 14 -11.954 -0.056 -3.826 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.071 -2.239 -5.571 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.949 -0.874 -4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.634 0.355 -5.737 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -15.446 -1.057 -6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -14.042 -1.339 -7.546 1.00 0.00 H new ATOM 223 N VAL A 15 -11.246 0.590 -7.121 1.00 0.00 N ATOM 224 CA VAL A 15 -10.600 1.034 -8.354 1.00 0.00 C ATOM 225 C VAL A 15 -9.183 0.477 -8.463 1.00 0.00 C ATOM 226 O VAL A 15 -8.798 0.035 -9.538 1.00 0.00 O ATOM 227 CB VAL A 15 -10.659 2.555 -8.572 1.00 0.00 C ATOM 228 CG1 VAL A 15 -10.060 3.379 -7.430 1.00 0.00 C ATOM 229 CG2 VAL A 15 -9.957 2.953 -9.877 1.00 0.00 C ATOM 0 H VAL A 15 -11.547 1.335 -6.492 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.183 0.617 -9.175 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.724 2.785 -8.617 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.143 4.440 -7.665 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.600 3.168 -6.507 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.010 3.116 -7.304 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.014 4.034 -10.006 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.912 2.647 -9.836 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.446 2.461 -10.718 1.00 0.00 H new ATOM 239 N LYS A 16 -8.406 0.479 -7.378 1.00 0.00 N ATOM 240 CA LYS A 16 -7.054 -0.059 -7.402 1.00 0.00 C ATOM 241 C LYS A 16 -7.071 -1.520 -7.876 1.00 0.00 C ATOM 242 O LYS A 16 -6.380 -1.880 -8.829 1.00 0.00 O ATOM 243 CB LYS A 16 -6.428 0.113 -6.011 1.00 0.00 C ATOM 244 CG LYS A 16 -4.935 -0.240 -5.992 1.00 0.00 C ATOM 245 CD LYS A 16 -4.287 0.089 -4.637 1.00 0.00 C ATOM 246 CE LYS A 16 -4.992 -0.575 -3.446 1.00 0.00 C ATOM 247 NZ LYS A 16 -5.158 -2.026 -3.647 1.00 0.00 N ATOM 0 H LYS A 16 -8.695 0.849 -6.473 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.436 0.486 -8.115 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.559 1.144 -5.682 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.957 -0.519 -5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.810 -1.301 -6.206 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.422 0.308 -6.783 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.244 -0.228 -4.655 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.289 1.170 -4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.416 -0.398 -2.538 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.969 -0.114 -3.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.668 -2.433 -2.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.700 -2.196 -4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.223 -2.474 -3.728 1.00 0.00 H new ATOM 261 N VAL A 17 -7.891 -2.353 -7.233 1.00 0.00 N ATOM 262 CA VAL A 17 -8.053 -3.756 -7.584 1.00 0.00 C ATOM 263 C VAL A 17 -8.442 -3.901 -9.059 1.00 0.00 C ATOM 264 O VAL A 17 -7.797 -4.648 -9.793 1.00 0.00 O ATOM 265 CB VAL A 17 -9.058 -4.416 -6.621 1.00 0.00 C ATOM 266 CG1 VAL A 17 -9.514 -5.796 -7.111 1.00 0.00 C ATOM 267 CG2 VAL A 17 -8.417 -4.587 -5.236 1.00 0.00 C ATOM 0 H VAL A 17 -8.467 -2.063 -6.443 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.105 -4.282 -7.469 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.927 -3.760 -6.573 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.221 -6.220 -6.398 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.995 -5.696 -8.084 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.650 -6.454 -7.200 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.132 -5.054 -4.559 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.532 -5.217 -5.320 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.131 -3.611 -4.844 1.00 0.00 H new ATOM 277 N LEU A 18 -9.488 -3.203 -9.510 1.00 0.00 N ATOM 278 CA LEU A 18 -9.928 -3.307 -10.900 1.00 0.00 C ATOM 279 C LEU A 18 -8.848 -2.824 -11.872 1.00 0.00 C ATOM 280 O LEU A 18 -8.640 -3.441 -12.913 1.00 0.00 O ATOM 281 CB LEU A 18 -11.244 -2.551 -11.117 1.00 0.00 C ATOM 282 CG LEU A 18 -12.440 -3.156 -10.359 1.00 0.00 C ATOM 283 CD1 LEU A 18 -13.693 -2.354 -10.717 1.00 0.00 C ATOM 284 CD2 LEU A 18 -12.683 -4.631 -10.706 1.00 0.00 C ATOM 0 H LEU A 18 -10.041 -2.565 -8.937 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.105 -4.362 -11.109 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.113 -1.515 -10.803 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.472 -2.535 -12.183 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.216 -3.107 -9.293 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -14.553 -2.767 -10.189 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.554 -1.313 -10.425 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.866 -2.410 -11.792 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.538 -5.002 -10.141 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.885 -4.725 -11.773 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.799 -5.215 -10.451 1.00 0.00 H new ATOM 296 N LEU A 19 -8.153 -1.736 -11.542 1.00 0.00 N ATOM 297 CA LEU A 19 -7.042 -1.221 -12.325 1.00 0.00 C ATOM 298 C LEU A 19 -5.982 -2.312 -12.495 1.00 0.00 C ATOM 299 O LEU A 19 -5.558 -2.592 -13.613 1.00 0.00 O ATOM 300 CB LEU A 19 -6.509 0.064 -11.671 1.00 0.00 C ATOM 301 CG LEU A 19 -5.272 0.661 -12.365 1.00 0.00 C ATOM 302 CD1 LEU A 19 -5.394 2.188 -12.432 1.00 0.00 C ATOM 303 CD2 LEU A 19 -3.991 0.297 -11.607 1.00 0.00 C ATOM 0 H LEU A 19 -8.353 -1.182 -10.709 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.366 -0.949 -13.330 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.303 0.811 -11.664 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.261 -0.147 -10.631 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.219 0.247 -13.372 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.514 2.602 -12.925 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.287 2.457 -12.997 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.468 2.592 -11.422 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.131 0.730 -12.117 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.046 0.688 -10.591 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.884 -0.787 -11.573 1.00 0.00 H new ATOM 315 N GLU A 20 -5.574 -2.946 -11.394 1.00 0.00 N ATOM 316 CA GLU A 20 -4.612 -4.039 -11.436 1.00 0.00 C ATOM 317 C GLU A 20 -5.137 -5.198 -12.295 1.00 0.00 C ATOM 318 O GLU A 20 -4.452 -5.659 -13.205 1.00 0.00 O ATOM 319 CB GLU A 20 -4.290 -4.506 -10.008 1.00 0.00 C ATOM 320 CG GLU A 20 -3.500 -3.445 -9.228 1.00 0.00 C ATOM 321 CD GLU A 20 -3.359 -3.826 -7.757 1.00 0.00 C ATOM 322 OE1 GLU A 20 -4.383 -3.737 -7.043 1.00 0.00 O ATOM 323 OE2 GLU A 20 -2.231 -4.204 -7.372 1.00 0.00 O ATOM 0 H GLU A 20 -5.901 -2.715 -10.456 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.692 -3.681 -11.899 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.217 -4.730 -9.481 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.715 -5.431 -10.049 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.511 -3.327 -9.671 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.003 -2.482 -9.309 1.00 0.00 H new ATOM 330 N LYS A 21 -6.334 -5.697 -11.978 1.00 0.00 N ATOM 331 CA LYS A 21 -6.880 -6.897 -12.596 1.00 0.00 C ATOM 332 C LYS A 21 -7.354 -6.635 -14.028 1.00 0.00 C ATOM 333 O LYS A 21 -6.790 -7.165 -14.984 1.00 0.00 O ATOM 334 CB LYS A 21 -8.019 -7.458 -11.732 1.00 0.00 C ATOM 335 CG LYS A 21 -7.496 -8.000 -10.395 1.00 0.00 C ATOM 336 CD LYS A 21 -8.660 -8.583 -9.584 1.00 0.00 C ATOM 337 CE LYS A 21 -8.181 -9.211 -8.268 1.00 0.00 C ATOM 338 NZ LYS A 21 -7.362 -10.416 -8.496 1.00 0.00 N ATOM 0 H LYS A 21 -6.950 -5.275 -11.283 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.084 -7.639 -12.657 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.755 -6.676 -11.546 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.530 -8.254 -12.274 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.743 -8.768 -10.572 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.012 -7.202 -9.832 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.383 -7.796 -9.369 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.176 -9.336 -10.179 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.600 -8.479 -7.707 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.044 -9.470 -7.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.187 -10.894 -7.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.866 -11.062 -9.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.454 -10.143 -8.924 1.00 0.00 H new ATOM 352 N SER A 22 -8.419 -5.851 -14.194 1.00 0.00 N ATOM 353 CA SER A 22 -9.079 -5.664 -15.477 1.00 0.00 C ATOM 354 C SER A 22 -8.346 -4.589 -16.282 1.00 0.00 C ATOM 355 O SER A 22 -8.953 -3.592 -16.668 1.00 0.00 O ATOM 356 CB SER A 22 -10.565 -5.342 -15.246 1.00 0.00 C ATOM 357 OG SER A 22 -10.757 -4.427 -14.181 1.00 0.00 O ATOM 0 H SER A 22 -8.848 -5.325 -13.433 1.00 0.00 H new ATOM 0 HA SER A 22 -9.040 -6.579 -16.068 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.991 -4.928 -16.160 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.105 -6.264 -15.032 1.00 0.00 H new ATOM 0 HG SER A 22 -9.941 -3.900 -14.051 1.00 0.00 H new ATOM 363 N THR A 23 -7.050 -4.800 -16.538 1.00 0.00 N ATOM 364 CA THR A 23 -6.133 -3.822 -17.123 1.00 0.00 C ATOM 365 C THR A 23 -6.341 -3.622 -18.631 1.00 0.00 C ATOM 366 O THR A 23 -5.395 -3.670 -19.416 1.00 0.00 O ATOM 367 CB THR A 23 -4.680 -4.148 -16.721 1.00 0.00 C ATOM 368 OG1 THR A 23 -3.790 -3.219 -17.305 1.00 0.00 O ATOM 369 CG2 THR A 23 -4.233 -5.563 -17.112 1.00 0.00 C ATOM 0 H THR A 23 -6.597 -5.691 -16.335 1.00 0.00 H new ATOM 0 HA THR A 23 -6.367 -2.844 -16.703 1.00 0.00 H new ATOM 0 HB THR A 23 -4.656 -4.086 -15.633 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.027 -3.086 -18.247 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.201 -5.719 -16.797 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.876 -6.296 -16.624 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.304 -5.681 -18.193 1.00 0.00 H new ATOM 377 N ARG A 24 -7.582 -3.350 -19.031 1.00 0.00 N ATOM 378 CA ARG A 24 -7.957 -2.943 -20.371 1.00 0.00 C ATOM 379 C ARG A 24 -7.908 -1.415 -20.466 1.00 0.00 C ATOM 380 O ARG A 24 -7.744 -0.716 -19.465 1.00 0.00 O ATOM 381 CB ARG A 24 -9.368 -3.474 -20.659 1.00 0.00 C ATOM 382 CG ARG A 24 -9.418 -5.007 -20.564 1.00 0.00 C ATOM 383 CD ARG A 24 -10.858 -5.523 -20.548 1.00 0.00 C ATOM 384 NE ARG A 24 -11.559 -5.096 -19.328 1.00 0.00 N ATOM 385 CZ ARG A 24 -12.740 -5.577 -18.918 1.00 0.00 C ATOM 386 NH1 ARG A 24 -13.371 -6.521 -19.624 1.00 0.00 N ATOM 387 NH2 ARG A 24 -13.289 -5.103 -17.796 1.00 0.00 N ATOM 0 H ARG A 24 -8.381 -3.412 -18.400 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.268 -3.350 -21.111 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.074 -3.040 -19.950 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.681 -3.159 -21.654 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.884 -5.442 -21.409 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.904 -5.333 -19.660 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.390 -5.154 -21.425 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.858 -6.611 -20.610 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.114 -4.382 -18.752 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.953 -6.881 -20.482 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.270 -6.882 -19.304 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.809 -4.381 -17.259 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.188 -5.463 -17.476 1.00 0.00 H new ATOM 401 N LYS A 25 -8.145 -0.884 -21.670 1.00 0.00 N ATOM 402 CA LYS A 25 -8.267 0.552 -21.913 1.00 0.00 C ATOM 403 C LYS A 25 -9.218 1.222 -20.911 1.00 0.00 C ATOM 404 O LYS A 25 -9.032 2.392 -20.567 1.00 0.00 O ATOM 405 CB LYS A 25 -8.734 0.768 -23.362 1.00 0.00 C ATOM 406 CG LYS A 25 -8.877 2.243 -23.776 1.00 0.00 C ATOM 407 CD LYS A 25 -7.600 3.083 -23.622 1.00 0.00 C ATOM 408 CE LYS A 25 -6.435 2.528 -24.452 1.00 0.00 C ATOM 409 NZ LYS A 25 -5.272 3.430 -24.413 1.00 0.00 N ATOM 0 H LYS A 25 -8.258 -1.449 -22.512 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.294 1.022 -21.770 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.026 0.283 -24.034 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.695 0.271 -23.498 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.198 2.284 -24.817 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.668 2.698 -23.180 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.804 4.109 -23.927 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.312 3.114 -22.571 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.150 1.547 -24.072 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.755 2.389 -25.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.501 3.027 -24.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.539 4.358 -24.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.953 3.542 -23.430 1.00 0.00 H new ATOM 423 N ARG A 26 -10.223 0.478 -20.420 1.00 0.00 N ATOM 424 CA ARG A 26 -11.213 1.020 -19.503 1.00 0.00 C ATOM 425 C ARG A 26 -10.580 1.644 -18.269 1.00 0.00 C ATOM 426 O ARG A 26 -11.251 2.437 -17.623 1.00 0.00 O ATOM 427 CB ARG A 26 -12.296 0.005 -19.105 1.00 0.00 C ATOM 428 CG ARG A 26 -11.926 -0.957 -17.961 1.00 0.00 C ATOM 429 CD ARG A 26 -13.197 -1.591 -17.388 1.00 0.00 C ATOM 430 NE ARG A 26 -12.907 -2.301 -16.136 1.00 0.00 N ATOM 431 CZ ARG A 26 -13.801 -3.030 -15.453 1.00 0.00 C ATOM 432 NH1 ARG A 26 -15.083 -3.052 -15.833 1.00 0.00 N ATOM 433 NH2 ARG A 26 -13.403 -3.748 -14.400 1.00 0.00 N ATOM 0 H ARG A 26 -10.363 -0.506 -20.651 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.712 1.812 -20.062 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -13.193 0.553 -18.817 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.553 -0.587 -19.983 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.255 -1.733 -18.328 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.392 -0.418 -17.178 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.945 -0.819 -17.208 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.622 -2.284 -18.114 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.961 -2.235 -15.760 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -15.384 -2.513 -16.645 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.760 -3.608 -15.311 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.423 -3.740 -14.119 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.079 -4.304 -13.877 1.00 0.00 H new ATOM 447 N LEU A 27 -9.343 1.288 -17.906 1.00 0.00 N ATOM 448 CA LEU A 27 -8.642 1.929 -16.800 1.00 0.00 C ATOM 449 C LEU A 27 -8.787 3.448 -16.838 1.00 0.00 C ATOM 450 O LEU A 27 -9.032 4.045 -15.796 1.00 0.00 O ATOM 451 CB LEU A 27 -7.169 1.509 -16.792 1.00 0.00 C ATOM 452 CG LEU A 27 -6.901 0.286 -15.908 1.00 0.00 C ATOM 453 CD1 LEU A 27 -7.935 -0.839 -16.047 1.00 0.00 C ATOM 454 CD2 LEU A 27 -5.492 -0.225 -16.230 1.00 0.00 C ATOM 0 H LEU A 27 -8.808 0.553 -18.369 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.103 1.593 -15.871 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.854 1.289 -17.812 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.561 2.343 -16.443 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.984 0.604 -14.869 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.667 -1.663 -15.386 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.921 -0.462 -15.776 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.953 -1.192 -17.078 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.272 -1.097 -15.615 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.437 -0.500 -17.283 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.764 0.559 -16.021 1.00 0.00 H new ATOM 466 N ARG A 28 -8.690 4.078 -18.013 1.00 0.00 N ATOM 467 CA ARG A 28 -8.871 5.523 -18.110 1.00 0.00 C ATOM 468 C ARG A 28 -10.254 5.918 -17.572 1.00 0.00 C ATOM 469 O ARG A 28 -10.384 6.663 -16.599 1.00 0.00 O ATOM 470 CB ARG A 28 -8.661 5.952 -19.570 1.00 0.00 C ATOM 471 CG ARG A 28 -8.769 7.465 -19.815 1.00 0.00 C ATOM 472 CD ARG A 28 -7.748 8.276 -19.005 1.00 0.00 C ATOM 473 NE ARG A 28 -8.274 8.642 -17.682 1.00 0.00 N ATOM 474 CZ ARG A 28 -7.561 8.854 -16.566 1.00 0.00 C ATOM 475 NH1 ARG A 28 -6.237 8.659 -16.537 1.00 0.00 N ATOM 476 NH2 ARG A 28 -8.199 9.279 -15.473 1.00 0.00 N ATOM 0 H ARG A 28 -8.489 3.613 -18.899 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.136 6.044 -17.497 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.677 5.614 -19.896 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.396 5.443 -20.194 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.626 7.667 -20.877 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.775 7.798 -19.560 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.834 7.695 -18.885 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.482 9.179 -19.554 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.286 8.745 -17.605 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.750 8.343 -17.375 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.716 8.827 -15.677 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.207 9.435 -15.499 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.679 9.447 -14.612 1.00 0.00 H new ATOM 490 N ASP A 29 -11.299 5.387 -18.209 1.00 0.00 N ATOM 491 CA ASP A 29 -12.698 5.645 -17.887 1.00 0.00 C ATOM 492 C ASP A 29 -12.964 5.379 -16.403 1.00 0.00 C ATOM 493 O ASP A 29 -13.479 6.231 -15.679 1.00 0.00 O ATOM 494 CB ASP A 29 -13.586 4.741 -18.760 1.00 0.00 C ATOM 495 CG ASP A 29 -13.304 4.906 -20.249 1.00 0.00 C ATOM 496 OD1 ASP A 29 -12.235 4.412 -20.675 1.00 0.00 O ATOM 497 OD2 ASP A 29 -14.152 5.520 -20.932 1.00 0.00 O ATOM 0 H ASP A 29 -11.187 4.742 -18.991 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.930 6.691 -18.089 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.428 3.700 -18.477 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.634 4.969 -18.565 1.00 0.00 H new ATOM 502 N THR A 30 -12.597 4.173 -15.975 1.00 0.00 N ATOM 503 CA THR A 30 -12.755 3.634 -14.638 1.00 0.00 C ATOM 504 C THR A 30 -12.100 4.569 -13.620 1.00 0.00 C ATOM 505 O THR A 30 -12.753 4.995 -12.669 1.00 0.00 O ATOM 506 CB THR A 30 -12.190 2.205 -14.604 1.00 0.00 C ATOM 507 OG1 THR A 30 -12.821 1.439 -15.608 1.00 0.00 O ATOM 508 CG2 THR A 30 -12.438 1.517 -13.258 1.00 0.00 C ATOM 0 H THR A 30 -12.150 3.504 -16.603 1.00 0.00 H new ATOM 0 HA THR A 30 -13.808 3.572 -14.365 1.00 0.00 H new ATOM 0 HB THR A 30 -11.114 2.273 -14.764 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.359 1.574 -16.461 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.021 0.510 -13.282 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.959 2.089 -12.463 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.510 1.462 -13.070 1.00 0.00 H new ATOM 516 N LEU A 31 -10.824 4.917 -13.827 1.00 0.00 N ATOM 517 CA LEU A 31 -10.085 5.802 -12.937 1.00 0.00 C ATOM 518 C LEU A 31 -10.802 7.147 -12.853 1.00 0.00 C ATOM 519 O LEU A 31 -11.129 7.594 -11.757 1.00 0.00 O ATOM 520 CB LEU A 31 -8.625 5.925 -13.409 1.00 0.00 C ATOM 521 CG LEU A 31 -7.624 6.449 -12.363 1.00 0.00 C ATOM 522 CD1 LEU A 31 -6.224 6.430 -12.986 1.00 0.00 C ATOM 523 CD2 LEU A 31 -7.919 7.869 -11.867 1.00 0.00 C ATOM 0 H LEU A 31 -10.278 4.587 -14.623 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.052 5.389 -11.929 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.289 4.945 -13.747 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.597 6.587 -14.274 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.705 5.795 -11.494 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.498 6.798 -12.261 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.967 5.410 -13.272 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.210 7.069 -13.869 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.168 8.162 -11.133 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.893 8.561 -12.709 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.906 7.896 -11.406 1.00 0.00 H new ATOM 535 N THR A 32 -11.082 7.784 -13.993 1.00 0.00 N ATOM 536 CA THR A 32 -11.758 9.080 -14.012 1.00 0.00 C ATOM 537 C THR A 32 -13.072 9.026 -13.222 1.00 0.00 C ATOM 538 O THR A 32 -13.329 9.857 -12.346 1.00 0.00 O ATOM 539 CB THR A 32 -11.996 9.528 -15.463 1.00 0.00 C ATOM 540 OG1 THR A 32 -10.824 9.328 -16.225 1.00 0.00 O ATOM 541 CG2 THR A 32 -12.364 11.013 -15.531 1.00 0.00 C ATOM 0 H THR A 32 -10.849 7.420 -14.917 1.00 0.00 H new ATOM 0 HA THR A 32 -11.117 9.816 -13.526 1.00 0.00 H new ATOM 0 HB THR A 32 -12.819 8.935 -15.861 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.761 8.386 -16.487 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.526 11.300 -16.570 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.275 11.189 -14.959 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.553 11.608 -15.112 1.00 0.00 H new ATOM 549 N SER A 33 -13.905 8.030 -13.530 1.00 0.00 N ATOM 550 CA SER A 33 -15.195 7.852 -12.886 1.00 0.00 C ATOM 551 C SER A 33 -15.019 7.689 -11.378 1.00 0.00 C ATOM 552 O SER A 33 -15.682 8.369 -10.594 1.00 0.00 O ATOM 553 CB SER A 33 -15.921 6.649 -13.494 1.00 0.00 C ATOM 554 OG SER A 33 -16.055 6.828 -14.889 1.00 0.00 O ATOM 0 H SER A 33 -13.697 7.325 -14.237 1.00 0.00 H new ATOM 0 HA SER A 33 -15.805 8.739 -13.056 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.366 5.734 -13.287 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.904 6.536 -13.036 1.00 0.00 H new ATOM 0 HG SER A 33 -15.200 6.633 -15.327 1.00 0.00 H new ATOM 560 N GLU A 34 -14.129 6.788 -10.959 1.00 0.00 N ATOM 561 CA GLU A 34 -13.961 6.529 -9.544 1.00 0.00 C ATOM 562 C GLU A 34 -13.395 7.762 -8.835 1.00 0.00 C ATOM 563 O GLU A 34 -13.870 8.119 -7.766 1.00 0.00 O ATOM 564 CB GLU A 34 -13.119 5.274 -9.287 1.00 0.00 C ATOM 565 CG GLU A 34 -13.486 4.725 -7.899 1.00 0.00 C ATOM 566 CD GLU A 34 -14.539 3.621 -7.960 1.00 0.00 C ATOM 567 OE1 GLU A 34 -15.685 3.951 -8.335 1.00 0.00 O ATOM 568 OE2 GLU A 34 -14.177 2.465 -7.650 1.00 0.00 O ATOM 0 H GLU A 34 -13.527 6.239 -11.573 1.00 0.00 H new ATOM 0 HA GLU A 34 -14.944 6.326 -9.120 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.310 4.524 -10.055 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.057 5.513 -9.332 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.588 4.338 -7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.856 5.540 -7.277 1.00 0.00 H new ATOM 575 N LYS A 35 -12.409 8.443 -9.424 1.00 0.00 N ATOM 576 CA LYS A 35 -11.903 9.702 -8.889 1.00 0.00 C ATOM 577 C LYS A 35 -13.071 10.666 -8.652 1.00 0.00 C ATOM 578 O LYS A 35 -13.196 11.247 -7.573 1.00 0.00 O ATOM 579 CB LYS A 35 -10.859 10.298 -9.843 1.00 0.00 C ATOM 580 CG LYS A 35 -10.104 11.464 -9.191 1.00 0.00 C ATOM 581 CD LYS A 35 -9.287 12.271 -10.210 1.00 0.00 C ATOM 582 CE LYS A 35 -8.246 11.410 -10.934 1.00 0.00 C ATOM 583 NZ LYS A 35 -7.372 12.234 -11.788 1.00 0.00 N ATOM 0 H LYS A 35 -11.944 8.137 -10.279 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.411 9.525 -7.932 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.151 9.524 -10.139 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.351 10.644 -10.752 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.816 12.124 -8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.438 11.077 -8.420 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.961 12.715 -10.943 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.784 13.093 -9.700 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.642 10.873 -10.202 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.751 10.660 -11.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.678 11.624 -12.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.947 12.727 -12.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.873 12.933 -11.202 1.00 0.00 H new ATOM 597 N SER A 36 -13.946 10.799 -9.654 1.00 0.00 N ATOM 598 CA SER A 36 -15.144 11.613 -9.522 1.00 0.00 C ATOM 599 C SER A 36 -15.976 11.162 -8.315 1.00 0.00 C ATOM 600 O SER A 36 -16.346 11.995 -7.490 1.00 0.00 O ATOM 601 CB SER A 36 -15.952 11.615 -10.824 1.00 0.00 C ATOM 602 OG SER A 36 -15.119 11.956 -11.918 1.00 0.00 O ATOM 0 H SER A 36 -13.841 10.350 -10.564 1.00 0.00 H new ATOM 0 HA SER A 36 -14.846 12.645 -9.336 1.00 0.00 H new ATOM 0 HB2 SER A 36 -16.394 10.632 -10.987 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.775 12.326 -10.749 1.00 0.00 H new ATOM 0 HG SER A 36 -14.569 11.183 -12.164 1.00 0.00 H new ATOM 608 N LYS A 37 -16.257 9.860 -8.183 1.00 0.00 N ATOM 609 CA LYS A 37 -16.954 9.320 -7.017 1.00 0.00 C ATOM 610 C LYS A 37 -16.266 9.711 -5.703 1.00 0.00 C ATOM 611 O LYS A 37 -16.929 10.240 -4.812 1.00 0.00 O ATOM 612 CB LYS A 37 -17.105 7.793 -7.104 1.00 0.00 C ATOM 613 CG LYS A 37 -18.066 7.321 -8.204 1.00 0.00 C ATOM 614 CD LYS A 37 -19.525 7.772 -8.019 1.00 0.00 C ATOM 615 CE LYS A 37 -20.091 7.505 -6.616 1.00 0.00 C ATOM 616 NZ LYS A 37 -19.926 6.098 -6.208 1.00 0.00 N ATOM 0 H LYS A 37 -16.008 9.157 -8.879 1.00 0.00 H new ATOM 0 HA LYS A 37 -17.949 9.764 -7.020 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.124 7.351 -7.279 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.457 7.418 -6.143 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.705 7.688 -9.165 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.039 6.232 -8.248 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -19.594 8.839 -8.230 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -20.148 7.261 -8.754 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -19.591 8.152 -5.895 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -21.149 7.765 -6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -20.816 5.748 -5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.676 5.523 -7.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -19.169 6.029 -5.498 1.00 0.00 H new ATOM 630 N ILE A 38 -14.956 9.466 -5.578 1.00 0.00 N ATOM 631 CA ILE A 38 -14.179 9.813 -4.390 1.00 0.00 C ATOM 632 C ILE A 38 -14.431 11.276 -4.046 1.00 0.00 C ATOM 633 O ILE A 38 -14.862 11.585 -2.938 1.00 0.00 O ATOM 634 CB ILE A 38 -12.671 9.538 -4.590 1.00 0.00 C ATOM 635 CG1 ILE A 38 -12.432 8.026 -4.703 1.00 0.00 C ATOM 636 CG2 ILE A 38 -11.828 10.102 -3.433 1.00 0.00 C ATOM 637 CD1 ILE A 38 -10.995 7.648 -5.074 1.00 0.00 C ATOM 0 H ILE A 38 -14.403 9.017 -6.308 1.00 0.00 H new ATOM 0 HA ILE A 38 -14.501 9.183 -3.561 1.00 0.00 H new ATOM 0 HB ILE A 38 -12.362 10.039 -5.508 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -12.686 7.556 -3.753 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -13.109 7.617 -5.452 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.774 9.888 -3.612 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -11.973 11.180 -3.369 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -12.139 9.638 -2.497 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.908 6.563 -5.134 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.741 8.086 -6.039 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.312 8.025 -4.313 1.00 0.00 H new ATOM 649 N GLU A 39 -14.158 12.171 -4.999 1.00 0.00 N ATOM 650 CA GLU A 39 -14.304 13.602 -4.787 1.00 0.00 C ATOM 651 C GLU A 39 -15.739 13.949 -4.389 1.00 0.00 C ATOM 652 O GLU A 39 -15.947 14.681 -3.427 1.00 0.00 O ATOM 653 CB GLU A 39 -13.848 14.364 -6.036 1.00 0.00 C ATOM 654 CG GLU A 39 -12.327 14.237 -6.207 1.00 0.00 C ATOM 655 CD GLU A 39 -11.851 14.931 -7.481 1.00 0.00 C ATOM 656 OE1 GLU A 39 -12.145 14.388 -8.568 1.00 0.00 O ATOM 657 OE2 GLU A 39 -11.207 15.993 -7.344 1.00 0.00 O ATOM 0 H GLU A 39 -13.832 11.920 -5.932 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.665 13.909 -3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -14.355 13.970 -6.917 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -14.126 15.415 -5.952 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.824 14.673 -5.344 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.049 13.183 -6.239 1.00 0.00 H new ATOM 664 N THR A 40 -16.728 13.412 -5.106 1.00 0.00 N ATOM 665 CA THR A 40 -18.139 13.631 -4.815 1.00 0.00 C ATOM 666 C THR A 40 -18.444 13.266 -3.358 1.00 0.00 C ATOM 667 O THR A 40 -18.946 14.096 -2.600 1.00 0.00 O ATOM 668 CB THR A 40 -19.000 12.831 -5.808 1.00 0.00 C ATOM 669 OG1 THR A 40 -18.724 13.265 -7.123 1.00 0.00 O ATOM 670 CG2 THR A 40 -20.501 13.009 -5.575 1.00 0.00 C ATOM 0 H THR A 40 -16.566 12.808 -5.912 1.00 0.00 H new ATOM 0 HA THR A 40 -18.383 14.686 -4.938 1.00 0.00 H new ATOM 0 HB THR A 40 -18.748 11.781 -5.659 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.870 12.887 -7.420 1.00 0.00 H new ATOM 0 HG21 THR A 40 -21.055 12.420 -6.306 1.00 0.00 H new ATOM 0 HG22 THR A 40 -20.756 12.672 -4.570 1.00 0.00 H new ATOM 0 HG23 THR A 40 -20.764 14.061 -5.682 1.00 0.00 H new ATOM 678 N GLU A 41 -18.140 12.024 -2.970 1.00 0.00 N ATOM 679 CA GLU A 41 -18.397 11.517 -1.631 1.00 0.00 C ATOM 680 C GLU A 41 -17.664 12.359 -0.587 1.00 0.00 C ATOM 681 O GLU A 41 -18.274 12.828 0.368 1.00 0.00 O ATOM 682 CB GLU A 41 -17.982 10.043 -1.551 1.00 0.00 C ATOM 683 CG GLU A 41 -18.939 9.145 -2.346 1.00 0.00 C ATOM 684 CD GLU A 41 -18.483 7.689 -2.348 1.00 0.00 C ATOM 685 OE1 GLU A 41 -18.030 7.228 -1.277 1.00 0.00 O ATOM 686 OE2 GLU A 41 -18.603 7.060 -3.422 1.00 0.00 O ATOM 0 H GLU A 41 -17.704 11.340 -3.588 1.00 0.00 H new ATOM 0 HA GLU A 41 -19.464 11.588 -1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -16.969 9.928 -1.936 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -17.965 9.725 -0.509 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -19.939 9.212 -1.918 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.007 9.506 -3.372 1.00 0.00 H new ATOM 693 N LEU A 42 -16.360 12.556 -0.763 1.00 0.00 N ATOM 694 CA LEU A 42 -15.533 13.341 0.142 1.00 0.00 C ATOM 695 C LEU A 42 -16.134 14.742 0.336 1.00 0.00 C ATOM 696 O LEU A 42 -16.405 15.162 1.462 1.00 0.00 O ATOM 697 CB LEU A 42 -14.095 13.338 -0.407 1.00 0.00 C ATOM 698 CG LEU A 42 -13.129 14.329 0.255 1.00 0.00 C ATOM 699 CD1 LEU A 42 -12.927 14.009 1.738 1.00 0.00 C ATOM 700 CD2 LEU A 42 -11.776 14.273 -0.463 1.00 0.00 C ATOM 0 H LEU A 42 -15.843 12.168 -1.552 1.00 0.00 H new ATOM 0 HA LEU A 42 -15.504 12.907 1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.686 12.333 -0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.133 13.554 -1.475 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.560 15.327 0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.237 14.731 2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -13.885 14.063 2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.515 13.005 1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.087 14.976 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.369 13.264 -0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.909 14.539 -1.512 1.00 0.00 H new ATOM 712 N LYS A 43 -16.374 15.460 -0.764 1.00 0.00 N ATOM 713 CA LYS A 43 -16.955 16.796 -0.732 1.00 0.00 C ATOM 714 C LYS A 43 -18.293 16.779 0.008 1.00 0.00 C ATOM 715 O LYS A 43 -18.523 17.631 0.868 1.00 0.00 O ATOM 716 CB LYS A 43 -17.075 17.349 -2.163 1.00 0.00 C ATOM 717 CG LYS A 43 -17.344 18.861 -2.220 1.00 0.00 C ATOM 718 CD LYS A 43 -18.828 19.240 -2.103 1.00 0.00 C ATOM 719 CE LYS A 43 -18.959 20.757 -1.949 1.00 0.00 C ATOM 720 NZ LYS A 43 -20.370 21.180 -1.899 1.00 0.00 N ATOM 0 H LYS A 43 -16.168 15.125 -1.705 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.299 17.468 -0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.155 17.132 -2.705 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -17.880 16.826 -2.679 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.792 19.348 -1.416 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.953 19.253 -3.159 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -19.370 18.906 -2.988 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -19.276 18.737 -1.246 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -18.451 21.076 -1.039 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -18.460 21.252 -2.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -20.419 22.214 -1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -20.848 20.898 -2.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -20.840 20.727 -1.089 1.00 0.00 H new ATOM 734 N ASN A 44 -19.168 15.826 -0.327 1.00 0.00 N ATOM 735 CA ASN A 44 -20.463 15.646 0.326 1.00 0.00 C ATOM 736 C ASN A 44 -20.284 15.501 1.834 1.00 0.00 C ATOM 737 O ASN A 44 -20.903 16.221 2.611 1.00 0.00 O ATOM 738 CB ASN A 44 -21.157 14.401 -0.251 1.00 0.00 C ATOM 739 CG ASN A 44 -22.639 14.305 0.080 1.00 0.00 C ATOM 740 OD1 ASN A 44 -23.152 15.038 0.912 1.00 0.00 O ATOM 741 ND2 ASN A 44 -23.357 13.410 -0.593 1.00 0.00 N ATOM 0 H ASN A 44 -18.992 15.150 -1.070 1.00 0.00 H new ATOM 0 HA ASN A 44 -21.083 16.523 0.139 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -21.037 14.401 -1.334 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -20.653 13.511 0.125 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -24.358 13.325 -0.419 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -22.906 12.809 -1.283 1.00 0.00 H new ATOM 748 N LYS A 45 -19.446 14.553 2.253 1.00 0.00 N ATOM 749 CA LYS A 45 -19.263 14.220 3.653 1.00 0.00 C ATOM 750 C LYS A 45 -18.624 15.365 4.441 1.00 0.00 C ATOM 751 O LYS A 45 -18.926 15.515 5.624 1.00 0.00 O ATOM 752 CB LYS A 45 -18.470 12.915 3.785 1.00 0.00 C ATOM 753 CG LYS A 45 -19.249 11.682 3.292 1.00 0.00 C ATOM 754 CD LYS A 45 -20.532 11.432 4.101 1.00 0.00 C ATOM 755 CE LYS A 45 -21.064 10.008 3.906 1.00 0.00 C ATOM 756 NZ LYS A 45 -21.313 9.700 2.487 1.00 0.00 N ATOM 0 H LYS A 45 -18.874 13.994 1.620 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.247 14.066 4.096 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.543 13.002 3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -18.193 12.769 4.829 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -19.506 11.816 2.241 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -18.608 10.803 3.354 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -20.333 11.603 5.159 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -21.296 12.149 3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -20.346 9.295 4.311 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -21.988 9.886 4.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -22.032 8.952 2.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -21.653 10.554 2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -20.431 9.376 2.042 1.00 0.00 H new ATOM 770 N MET A 46 -17.762 16.179 3.822 1.00 0.00 N ATOM 771 CA MET A 46 -17.277 17.383 4.485 1.00 0.00 C ATOM 772 C MET A 46 -18.395 18.431 4.526 1.00 0.00 C ATOM 773 O MET A 46 -18.867 18.816 5.596 1.00 0.00 O ATOM 774 CB MET A 46 -16.012 17.904 3.790 1.00 0.00 C ATOM 775 CG MET A 46 -14.845 16.921 3.954 1.00 0.00 C ATOM 776 SD MET A 46 -13.216 17.525 3.443 1.00 0.00 S ATOM 777 CE MET A 46 -13.568 18.096 1.769 1.00 0.00 C ATOM 0 H MET A 46 -17.395 16.027 2.883 1.00 0.00 H new ATOM 0 HA MET A 46 -16.999 17.153 5.514 1.00 0.00 H new ATOM 0 HB2 MET A 46 -16.214 18.060 2.730 1.00 0.00 H new ATOM 0 HB3 MET A 46 -15.737 18.872 4.208 1.00 0.00 H new ATOM 0 HG2 MET A 46 -14.789 16.627 5.002 1.00 0.00 H new ATOM 0 HG3 MET A 46 -15.072 16.021 3.383 1.00 0.00 H new ATOM 0 HE1 MET A 46 -12.632 18.246 1.231 1.00 0.00 H new ATOM 0 HE2 MET A 46 -14.170 17.350 1.249 1.00 0.00 H new ATOM 0 HE3 MET A 46 -14.116 19.037 1.813 1.00 0.00 H new ATOM 787 N GLN A 47 -18.846 18.884 3.355 1.00 0.00 N ATOM 788 CA GLN A 47 -19.911 19.867 3.239 1.00 0.00 C ATOM 789 C GLN A 47 -21.265 19.162 3.349 1.00 0.00 C ATOM 790 O GLN A 47 -22.045 19.142 2.392 1.00 0.00 O ATOM 791 CB GLN A 47 -19.791 20.673 1.936 1.00 0.00 C ATOM 792 CG GLN A 47 -18.639 21.690 1.937 1.00 0.00 C ATOM 793 CD GLN A 47 -17.231 21.102 1.878 1.00 0.00 C ATOM 794 OE1 GLN A 47 -16.298 21.676 2.425 1.00 0.00 O ATOM 795 NE2 GLN A 47 -17.033 19.979 1.196 1.00 0.00 N ATOM 0 H GLN A 47 -18.476 18.573 2.457 1.00 0.00 H new ATOM 0 HA GLN A 47 -19.824 20.585 4.055 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -19.652 19.982 1.104 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -20.728 21.201 1.759 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -18.769 22.358 1.086 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.720 22.300 2.836 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -17.819 19.511 0.745 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -16.095 19.585 1.123 1.00 0.00 H new ATOM 804 N GLN A 48 -21.560 18.640 4.547 1.00 0.00 N ATOM 805 CA GLN A 48 -22.865 18.082 4.884 1.00 0.00 C ATOM 806 C GLN A 48 -23.890 19.208 5.047 1.00 0.00 C ATOM 807 O GLN A 48 -24.348 19.539 6.138 1.00 0.00 O ATOM 808 CB GLN A 48 -22.766 17.155 6.104 1.00 0.00 C ATOM 809 CG GLN A 48 -22.208 15.785 5.694 1.00 0.00 C ATOM 810 CD GLN A 48 -23.244 14.945 4.955 1.00 0.00 C ATOM 811 OE1 GLN A 48 -24.133 14.346 5.556 1.00 0.00 O ATOM 812 NE2 GLN A 48 -23.152 14.897 3.635 1.00 0.00 N ATOM 0 H GLN A 48 -20.888 18.595 5.313 1.00 0.00 H new ATOM 0 HA GLN A 48 -23.219 17.454 4.066 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -22.122 17.605 6.859 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -23.750 17.033 6.556 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -21.334 15.925 5.058 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -21.873 15.249 6.582 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -22.406 15.402 3.157 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -23.827 14.355 3.096 1.00 0.00 H new ATOM 821 N LYS A 49 -24.219 19.781 3.894 1.00 0.00 N ATOM 822 CA LYS A 49 -25.274 20.727 3.597 1.00 0.00 C ATOM 823 C LYS A 49 -25.670 20.388 2.161 1.00 0.00 C ATOM 824 O LYS A 49 -26.821 20.074 1.862 1.00 0.00 O ATOM 825 CB LYS A 49 -24.738 22.159 3.737 1.00 0.00 C ATOM 826 CG LYS A 49 -25.800 23.188 3.336 1.00 0.00 C ATOM 827 CD LYS A 49 -25.253 24.608 3.518 1.00 0.00 C ATOM 828 CE LYS A 49 -26.312 25.652 3.148 1.00 0.00 C ATOM 829 NZ LYS A 49 -26.634 25.633 1.709 1.00 0.00 N ATOM 0 H LYS A 49 -23.687 19.564 3.052 1.00 0.00 H new ATOM 0 HA LYS A 49 -26.130 20.667 4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -24.427 22.335 4.767 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -23.854 22.282 3.112 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -26.094 23.033 2.298 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -26.695 23.054 3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -24.940 24.752 4.552 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -24.369 24.744 2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -27.219 25.467 3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -25.955 26.644 3.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -27.263 26.430 1.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -25.757 25.717 1.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -27.109 24.739 1.471 1.00 0.00 H new ATOM 843 N SER A 50 -24.673 20.389 1.273 1.00 0.00 N ATOM 844 CA SER A 50 -24.776 19.890 -0.080 1.00 0.00 C ATOM 845 C SER A 50 -24.848 18.358 -0.041 1.00 0.00 C ATOM 846 O SER A 50 -23.917 17.686 -0.478 1.00 0.00 O ATOM 847 CB SER A 50 -23.550 20.402 -0.847 1.00 0.00 C ATOM 848 OG SER A 50 -22.398 20.411 -0.015 1.00 0.00 O ATOM 0 H SER A 50 -23.745 20.751 1.494 1.00 0.00 H new ATOM 0 HA SER A 50 -25.677 20.240 -0.585 1.00 0.00 H new ATOM 0 HB2 SER A 50 -23.370 19.770 -1.717 1.00 0.00 H new ATOM 0 HB3 SER A 50 -23.743 21.408 -1.219 1.00 0.00 H new ATOM 0 HG SER A 50 -22.312 19.544 0.434 1.00 0.00 H new ATOM 854 N GLN A 51 -25.960 17.812 0.467 1.00 0.00 N ATOM 855 CA GLN A 51 -26.147 16.377 0.680 1.00 0.00 C ATOM 856 C GLN A 51 -26.065 15.548 -0.611 1.00 0.00 C ATOM 857 O GLN A 51 -25.986 14.321 -0.538 1.00 0.00 O ATOM 858 CB GLN A 51 -27.497 16.111 1.368 1.00 0.00 C ATOM 859 CG GLN A 51 -27.615 16.712 2.776 1.00 0.00 C ATOM 860 CD GLN A 51 -26.515 16.239 3.721 1.00 0.00 C ATOM 861 OE1 GLN A 51 -25.720 17.040 4.195 1.00 0.00 O ATOM 862 NE2 GLN A 51 -26.452 14.940 4.000 1.00 0.00 N ATOM 0 H GLN A 51 -26.768 18.368 0.746 1.00 0.00 H new ATOM 0 HA GLN A 51 -25.322 16.059 1.318 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -28.295 16.514 0.745 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -27.654 15.034 1.430 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -27.582 17.799 2.705 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -28.586 16.449 3.197 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -27.129 14.297 3.590 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -25.727 14.587 4.624 1.00 0.00 H new ATOM 871 N LYS A 52 -26.150 16.193 -1.781 1.00 0.00 N ATOM 872 CA LYS A 52 -26.260 15.547 -3.086 1.00 0.00 C ATOM 873 C LYS A 52 -27.533 14.692 -3.156 1.00 0.00 C ATOM 874 O LYS A 52 -27.584 13.694 -3.871 1.00 0.00 O ATOM 875 CB LYS A 52 -25.002 14.725 -3.431 1.00 0.00 C ATOM 876 CG LYS A 52 -23.660 15.413 -3.133 1.00 0.00 C ATOM 877 CD LYS A 52 -23.380 16.636 -4.012 1.00 0.00 C ATOM 878 CE LYS A 52 -22.052 17.298 -3.614 1.00 0.00 C ATOM 879 NZ LYS A 52 -20.896 16.404 -3.811 1.00 0.00 N ATOM 0 H LYS A 52 -26.144 17.211 -1.843 1.00 0.00 H new ATOM 0 HA LYS A 52 -26.335 16.330 -3.841 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -25.040 13.786 -2.878 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -25.034 14.472 -4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -23.644 15.719 -2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -22.855 14.690 -3.266 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -23.343 16.337 -5.059 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -24.194 17.354 -3.914 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -21.911 18.205 -4.202 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -22.099 17.601 -2.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.015 16.944 -3.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -20.928 15.636 -3.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -20.928 16.001 -4.769 1.00 0.00 H new ATOM 893 N LYS A 53 -28.574 15.089 -2.418 1.00 0.00 N ATOM 894 CA LYS A 53 -29.855 14.409 -2.442 1.00 0.00 C ATOM 895 C LYS A 53 -30.513 14.662 -3.806 1.00 0.00 C ATOM 896 O LYS A 53 -30.581 15.816 -4.227 1.00 0.00 O ATOM 897 CB LYS A 53 -30.724 14.942 -1.291 1.00 0.00 C ATOM 898 CG LYS A 53 -32.073 14.218 -1.213 1.00 0.00 C ATOM 899 CD LYS A 53 -32.983 14.863 -0.162 1.00 0.00 C ATOM 900 CE LYS A 53 -34.382 14.233 -0.188 1.00 0.00 C ATOM 901 NZ LYS A 53 -35.090 14.511 -1.454 1.00 0.00 N ATOM 0 H LYS A 53 -28.544 15.892 -1.790 1.00 0.00 H new ATOM 0 HA LYS A 53 -29.734 13.334 -2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -30.192 14.821 -0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -30.892 16.010 -1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -32.561 14.245 -2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -31.913 13.169 -0.966 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -32.544 14.742 0.828 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -33.059 15.934 -0.349 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -34.297 13.155 -0.049 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -34.968 14.617 0.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -36.104 14.313 -1.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -34.960 15.510 -1.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -34.705 13.906 -2.207 1.00 0.00 H new ATOM 915 N PRO A 54 -31.018 13.628 -4.499 1.00 0.00 N ATOM 916 CA PRO A 54 -31.754 13.815 -5.736 1.00 0.00 C ATOM 917 C PRO A 54 -33.111 14.465 -5.445 1.00 0.00 C ATOM 918 O PRO A 54 -33.712 14.238 -4.394 1.00 0.00 O ATOM 919 CB PRO A 54 -31.907 12.413 -6.330 1.00 0.00 C ATOM 920 CG PRO A 54 -31.923 11.513 -5.094 1.00 0.00 C ATOM 921 CD PRO A 54 -30.963 12.220 -4.136 1.00 0.00 C ATOM 0 HA PRO A 54 -31.243 14.478 -6.434 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -32.825 12.319 -6.909 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -31.082 12.166 -6.998 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -32.924 11.427 -4.671 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -31.588 10.502 -5.327 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -31.263 12.070 -3.099 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -29.951 11.828 -4.235 1.00 0.00 H new ATOM 929 N GLU A 55 -33.608 15.269 -6.385 1.00 0.00 N ATOM 930 CA GLU A 55 -34.875 15.974 -6.247 1.00 0.00 C ATOM 931 C GLU A 55 -36.003 14.966 -6.007 1.00 0.00 C ATOM 932 O GLU A 55 -36.780 14.665 -6.909 1.00 0.00 O ATOM 933 CB GLU A 55 -35.136 16.845 -7.489 1.00 0.00 C ATOM 934 CG GLU A 55 -34.175 18.041 -7.627 1.00 0.00 C ATOM 935 CD GLU A 55 -32.737 17.676 -8.005 1.00 0.00 C ATOM 936 OE1 GLU A 55 -32.544 16.573 -8.562 1.00 0.00 O ATOM 937 OE2 GLU A 55 -31.854 18.515 -7.727 1.00 0.00 O ATOM 0 H GLU A 55 -33.135 15.449 -7.271 1.00 0.00 H new ATOM 0 HA GLU A 55 -34.833 16.640 -5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -35.056 16.223 -8.380 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -36.160 17.217 -7.451 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -34.571 18.721 -8.381 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -34.159 18.586 -6.683 1.00 0.00 H new TER 944 GLU A 55