USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 803 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 66 MET CE :methyl -109:sc= -0.186 (180deg=-3.1!) USER MOD Set 1.2: A 85 MET CE :methyl 141:sc= -3.32! (180deg=-4.86!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 80:sc= -1.17 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.026 K(o=-0.026,f=-1.4!) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 30 TYR OH : rot 150:sc= -1.04 USER MOD Single : A 31 LYS NZ :NH3+ 146:sc= 0.119 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.79 K(o=-1.8,f=-2.6) USER MOD Single : A 46 MET CE :methyl 148:sc= -0.292 (180deg=-2.61!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 52 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.299) USER MOD Single : A 56 SER OG : rot 48:sc= 0.437 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 94:sc= 0.781 USER MOD Single : A 71 MET CE :methyl 148:sc= -3.64 (180deg=-7.38!) USER MOD Single : A 76 THR OG1 : rot -72:sc= 1.25 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -172:sc= -4.73 (180deg=-5.56!) USER MOD Single : A 95 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.54) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0725 USER MOD ----------------------------------------------------------------- ATOM 48 N LYS A 4 9.838 -3.669 -0.505 1.00 74.23 N ATOM 49 CA LYS A 4 10.533 -4.146 -1.696 1.00 53.11 C ATOM 50 C LYS A 4 10.549 -5.670 -1.743 1.00 23.13 C ATOM 51 O LYS A 4 10.484 -6.268 -2.817 1.00 33.14 O ATOM 52 CB LYS A 4 11.966 -3.609 -1.722 1.00 4.34 C ATOM 53 CG LYS A 4 12.049 -2.093 -1.698 1.00 14.11 C ATOM 54 CD LYS A 4 12.501 -1.581 -0.341 1.00 62.11 C ATOM 55 CE LYS A 4 13.983 -1.838 -0.113 1.00 4.50 C ATOM 56 NZ LYS A 4 14.830 -0.777 -0.724 1.00 25.42 N1+ ATOM 0 HA LYS A 4 9.997 -3.779 -2.571 1.00 53.11 H new ATOM 0 HB2 LYS A 4 12.510 -4.008 -0.866 1.00 4.34 H new ATOM 0 HB3 LYS A 4 12.467 -3.978 -2.617 1.00 4.34 H new ATOM 0 HG2 LYS A 4 12.744 -1.754 -2.466 1.00 14.11 H new ATOM 0 HG3 LYS A 4 11.074 -1.670 -1.941 1.00 14.11 H new ATOM 0 HD2 LYS A 4 12.301 -0.512 -0.269 1.00 62.11 H new ATOM 0 HD3 LYS A 4 11.921 -2.067 0.444 1.00 62.11 H new ATOM 0 HE2 LYS A 4 14.182 -1.890 0.957 1.00 4.50 H new ATOM 0 HE3 LYS A 4 14.253 -2.806 -0.535 1.00 4.50 H new ATOM 0 HZ1 LYS A 4 15.833 -0.988 -0.547 1.00 25.42 H new ATOM 0 HZ2 LYS A 4 14.659 -0.744 -1.749 1.00 25.42 H new ATOM 0 HZ3 LYS A 4 14.591 0.143 -0.303 1.00 25.42 H new ATOM 70 N SER A 5 10.633 -6.293 -0.573 1.00 45.41 N ATOM 71 CA SER A 5 10.658 -7.748 -0.481 1.00 45.22 C ATOM 72 C SER A 5 9.585 -8.368 -1.371 1.00 54.53 C ATOM 73 O SER A 5 9.723 -9.501 -1.831 1.00 44.30 O ATOM 74 CB SER A 5 10.454 -8.194 0.969 1.00 53.55 C ATOM 75 OG SER A 5 11.667 -8.131 1.697 1.00 22.21 O ATOM 0 H SER A 5 10.685 -5.813 0.325 1.00 45.41 H new ATOM 0 HA SER A 5 11.634 -8.091 -0.825 1.00 45.22 H new ATOM 0 HB2 SER A 5 9.707 -7.560 1.446 1.00 53.55 H new ATOM 0 HB3 SER A 5 10.067 -9.213 0.988 1.00 53.55 H new ATOM 0 HG SER A 5 11.837 -7.205 1.971 1.00 22.21 H new ATOM 81 N ASP A 6 8.517 -7.616 -1.609 1.00 52.44 N ATOM 82 CA ASP A 6 7.419 -8.088 -2.444 1.00 71.01 C ATOM 83 C ASP A 6 7.932 -8.554 -3.803 1.00 21.35 C ATOM 84 O ASP A 6 7.575 -9.633 -4.275 1.00 22.51 O ATOM 85 CB ASP A 6 6.378 -6.984 -2.630 1.00 22.02 C ATOM 86 CG ASP A 6 6.916 -5.807 -3.420 1.00 15.21 C ATOM 87 OD1 ASP A 6 8.086 -5.431 -3.200 1.00 45.13 O1- ATOM 88 OD2 ASP A 6 6.167 -5.263 -4.259 1.00 43.34 O ATOM 0 H ASP A 6 8.388 -6.676 -1.235 1.00 52.44 H new ATOM 0 HA ASP A 6 6.952 -8.935 -1.941 1.00 71.01 H new ATOM 0 HB2 ASP A 6 5.507 -7.393 -3.141 1.00 22.02 H new ATOM 0 HB3 ASP A 6 6.041 -6.638 -1.653 1.00 22.02 H new ATOM 93 N GLU A 7 8.771 -7.732 -4.426 1.00 34.23 N ATOM 94 CA GLU A 7 9.331 -8.060 -5.732 1.00 34.02 C ATOM 95 C GLU A 7 9.971 -9.445 -5.717 1.00 65.44 C ATOM 96 O GLU A 7 9.877 -10.195 -6.690 1.00 4.31 O ATOM 97 CB GLU A 7 10.367 -7.012 -6.145 1.00 60.23 C ATOM 98 CG GLU A 7 10.199 -6.518 -7.572 1.00 53.31 C ATOM 99 CD GLU A 7 9.238 -5.350 -7.675 1.00 52.50 C ATOM 100 OE1 GLU A 7 8.022 -5.594 -7.825 1.00 42.03 O ATOM 101 OE2 GLU A 7 9.701 -4.193 -7.606 1.00 23.23 O1- ATOM 0 H GLU A 7 9.077 -6.836 -4.048 1.00 34.23 H new ATOM 0 HA GLU A 7 8.518 -8.062 -6.458 1.00 34.02 H new ATOM 0 HB2 GLU A 7 10.302 -6.162 -5.465 1.00 60.23 H new ATOM 0 HB3 GLU A 7 11.365 -7.436 -6.031 1.00 60.23 H new ATOM 0 HG2 GLU A 7 11.171 -6.220 -7.966 1.00 53.31 H new ATOM 0 HG3 GLU A 7 9.839 -7.336 -8.196 1.00 53.31 H new ATOM 108 N VAL A 8 10.624 -9.778 -4.608 1.00 74.30 N ATOM 109 CA VAL A 8 11.278 -11.073 -4.465 1.00 35.34 C ATOM 110 C VAL A 8 10.301 -12.215 -4.716 1.00 41.31 C ATOM 111 O VAL A 8 10.512 -13.046 -5.598 1.00 60.20 O ATOM 112 CB VAL A 8 11.897 -11.238 -3.064 1.00 62.21 C ATOM 113 CG1 VAL A 8 12.450 -12.643 -2.886 1.00 15.23 C ATOM 114 CG2 VAL A 8 12.980 -10.196 -2.834 1.00 74.14 C ATOM 0 H VAL A 8 10.714 -9.168 -3.795 1.00 74.30 H new ATOM 0 HA VAL A 8 12.072 -11.110 -5.211 1.00 35.34 H new ATOM 0 HB VAL A 8 11.115 -11.085 -2.320 1.00 62.21 H new ATOM 0 HG11 VAL A 8 12.883 -12.740 -1.890 1.00 15.23 H new ATOM 0 HG12 VAL A 8 11.645 -13.368 -3.004 1.00 15.23 H new ATOM 0 HG13 VAL A 8 13.219 -12.829 -3.636 1.00 15.23 H new ATOM 0 HG21 VAL A 8 13.406 -10.328 -1.839 1.00 74.14 H new ATOM 0 HG22 VAL A 8 13.763 -10.314 -3.583 1.00 74.14 H new ATOM 0 HG23 VAL A 8 12.548 -9.198 -2.915 1.00 74.14 H new ATOM 124 N PHE A 9 9.227 -12.249 -3.932 1.00 5.40 N ATOM 125 CA PHE A 9 8.214 -13.290 -4.069 1.00 4.42 C ATOM 126 C PHE A 9 7.744 -13.404 -5.515 1.00 14.12 C ATOM 127 O PHE A 9 7.586 -14.505 -6.043 1.00 72.03 O ATOM 128 CB PHE A 9 7.024 -12.994 -3.155 1.00 14.30 C ATOM 129 CG PHE A 9 7.418 -12.670 -1.742 1.00 1.13 C ATOM 130 CD1 PHE A 9 8.267 -13.506 -1.036 1.00 64.03 C ATOM 131 CD2 PHE A 9 6.938 -11.529 -1.119 1.00 71.40 C ATOM 132 CE1 PHE A 9 8.632 -13.212 0.264 1.00 45.45 C ATOM 133 CE2 PHE A 9 7.300 -11.229 0.180 1.00 70.23 C ATOM 134 CZ PHE A 9 8.147 -12.071 0.872 1.00 3.11 C ATOM 0 H PHE A 9 9.036 -11.569 -3.196 1.00 5.40 H new ATOM 0 HA PHE A 9 8.661 -14.240 -3.776 1.00 4.42 H new ATOM 0 HB2 PHE A 9 6.459 -12.158 -3.567 1.00 14.30 H new ATOM 0 HB3 PHE A 9 6.358 -13.857 -3.149 1.00 14.30 H new ATOM 0 HD1 PHE A 9 8.649 -14.399 -1.508 1.00 64.03 H new ATOM 0 HD2 PHE A 9 6.274 -10.867 -1.655 1.00 71.40 H new ATOM 0 HE1 PHE A 9 9.295 -13.873 0.803 1.00 45.45 H new ATOM 0 HE2 PHE A 9 6.920 -10.336 0.654 1.00 70.23 H new ATOM 0 HZ PHE A 9 8.430 -11.838 1.888 1.00 3.11 H new ATOM 144 N ALA A 10 7.520 -12.259 -6.152 1.00 54.15 N ATOM 145 CA ALA A 10 7.069 -12.230 -7.537 1.00 71.40 C ATOM 146 C ALA A 10 8.135 -12.787 -8.474 1.00 23.42 C ATOM 147 O ALA A 10 7.837 -13.571 -9.375 1.00 32.34 O ATOM 148 CB ALA A 10 6.698 -10.811 -7.942 1.00 11.12 C ATOM 0 H ALA A 10 7.644 -11.339 -5.730 1.00 54.15 H new ATOM 0 HA ALA A 10 6.185 -12.863 -7.618 1.00 71.40 H new ATOM 0 HB1 ALA A 10 6.363 -10.804 -8.979 1.00 11.12 H new ATOM 0 HB2 ALA A 10 5.896 -10.447 -7.299 1.00 11.12 H new ATOM 0 HB3 ALA A 10 7.569 -10.164 -7.838 1.00 11.12 H new ATOM 154 N LYS A 11 9.380 -12.378 -8.254 1.00 53.04 N ATOM 155 CA LYS A 11 10.493 -12.837 -9.079 1.00 71.11 C ATOM 156 C LYS A 11 10.606 -14.358 -9.043 1.00 34.23 C ATOM 157 O LYS A 11 10.666 -15.009 -10.086 1.00 35.32 O ATOM 158 CB LYS A 11 11.802 -12.206 -8.600 1.00 75.32 C ATOM 159 CG LYS A 11 11.982 -10.766 -9.047 1.00 51.04 C ATOM 160 CD LYS A 11 12.163 -10.667 -10.553 1.00 31.12 C ATOM 161 CE LYS A 11 11.051 -9.851 -11.195 1.00 2.51 C ATOM 162 NZ LYS A 11 11.479 -9.251 -12.488 1.00 32.05 N1+ ATOM 0 H LYS A 11 9.644 -11.730 -7.512 1.00 53.04 H new ATOM 0 HA LYS A 11 10.303 -12.529 -10.107 1.00 71.11 H new ATOM 0 HB2 LYS A 11 11.838 -12.247 -7.511 1.00 75.32 H new ATOM 0 HB3 LYS A 11 12.638 -12.800 -8.969 1.00 75.32 H new ATOM 0 HG2 LYS A 11 11.115 -10.179 -8.745 1.00 51.04 H new ATOM 0 HG3 LYS A 11 12.849 -10.335 -8.546 1.00 51.04 H new ATOM 0 HD2 LYS A 11 13.127 -10.209 -10.775 1.00 31.12 H new ATOM 0 HD3 LYS A 11 12.178 -11.667 -10.985 1.00 31.12 H new ATOM 0 HE2 LYS A 11 10.182 -10.488 -11.360 1.00 2.51 H new ATOM 0 HE3 LYS A 11 10.741 -9.060 -10.513 1.00 2.51 H new ATOM 0 HZ1 LYS A 11 10.693 -8.703 -12.893 1.00 32.05 H new ATOM 0 HZ2 LYS A 11 12.292 -8.623 -12.327 1.00 32.05 H new ATOM 0 HZ3 LYS A 11 11.751 -10.007 -13.148 1.00 32.05 H new ATOM 176 N ILE A 12 10.633 -14.916 -7.838 1.00 21.10 N ATOM 177 CA ILE A 12 10.736 -16.360 -7.667 1.00 64.54 C ATOM 178 C ILE A 12 9.632 -17.084 -8.431 1.00 34.03 C ATOM 179 O ILE A 12 9.902 -17.971 -9.240 1.00 74.53 O ATOM 180 CB ILE A 12 10.662 -16.758 -6.181 1.00 74.10 C ATOM 181 CG1 ILE A 12 11.914 -16.283 -5.441 1.00 64.04 C ATOM 182 CG2 ILE A 12 10.498 -18.265 -6.044 1.00 5.33 C ATOM 183 CD1 ILE A 12 11.884 -16.571 -3.957 1.00 2.33 C ATOM 0 H ILE A 12 10.585 -14.390 -6.965 1.00 21.10 H new ATOM 0 HA ILE A 12 11.706 -16.656 -8.066 1.00 64.54 H new ATOM 0 HB ILE A 12 9.793 -16.276 -5.733 1.00 74.10 H new ATOM 0 HG12 ILE A 12 12.789 -16.764 -5.879 1.00 64.04 H new ATOM 0 HG13 ILE A 12 12.031 -15.210 -5.592 1.00 64.04 H new ATOM 0 HG21 ILE A 12 10.447 -18.531 -4.988 1.00 5.33 H new ATOM 0 HG22 ILE A 12 9.580 -18.578 -6.542 1.00 5.33 H new ATOM 0 HG23 ILE A 12 11.349 -18.767 -6.504 1.00 5.33 H new ATOM 0 HD11 ILE A 12 12.803 -16.207 -3.497 1.00 2.33 H new ATOM 0 HD12 ILE A 12 11.029 -16.068 -3.506 1.00 2.33 H new ATOM 0 HD13 ILE A 12 11.799 -17.646 -3.797 1.00 2.33 H new ATOM 195 N ALA A 13 8.387 -16.697 -8.170 1.00 52.24 N ATOM 196 CA ALA A 13 7.243 -17.305 -8.836 1.00 63.33 C ATOM 197 C ALA A 13 7.358 -17.181 -10.351 1.00 65.53 C ATOM 198 O ALA A 13 7.307 -18.178 -11.073 1.00 52.01 O ATOM 199 CB ALA A 13 5.950 -16.670 -8.348 1.00 65.33 C ATOM 0 H ALA A 13 8.146 -15.965 -7.502 1.00 52.24 H new ATOM 0 HA ALA A 13 7.231 -18.366 -8.586 1.00 63.33 H new ATOM 0 HB1 ALA A 13 5.103 -17.134 -8.854 1.00 65.33 H new ATOM 0 HB2 ALA A 13 5.855 -16.818 -7.272 1.00 65.33 H new ATOM 0 HB3 ALA A 13 5.963 -15.602 -8.568 1.00 65.33 H new ATOM 205 N LYS A 14 7.514 -15.951 -10.829 1.00 61.31 N ATOM 206 CA LYS A 14 7.637 -15.694 -12.258 1.00 24.13 C ATOM 207 C LYS A 14 8.811 -16.468 -12.850 1.00 74.23 C ATOM 208 O LYS A 14 8.783 -16.861 -14.016 1.00 64.00 O ATOM 209 CB LYS A 14 7.819 -14.197 -12.515 1.00 55.21 C ATOM 210 CG LYS A 14 7.746 -13.818 -13.984 1.00 43.13 C ATOM 211 CD LYS A 14 7.452 -12.339 -14.165 1.00 15.10 C ATOM 212 CE LYS A 14 6.145 -12.117 -14.909 1.00 0.23 C ATOM 213 NZ LYS A 14 5.905 -10.675 -15.193 1.00 52.31 N1+ ATOM 0 H LYS A 14 7.558 -15.115 -10.246 1.00 61.31 H new ATOM 0 HA LYS A 14 6.720 -16.030 -12.742 1.00 24.13 H new ATOM 0 HB2 LYS A 14 7.053 -13.647 -11.968 1.00 55.21 H new ATOM 0 HB3 LYS A 14 8.783 -13.883 -12.115 1.00 55.21 H new ATOM 0 HG2 LYS A 14 8.689 -14.065 -14.471 1.00 43.13 H new ATOM 0 HG3 LYS A 14 6.971 -14.407 -14.474 1.00 43.13 H new ATOM 0 HD2 LYS A 14 7.403 -11.855 -13.190 1.00 15.10 H new ATOM 0 HD3 LYS A 14 8.268 -11.869 -14.714 1.00 15.10 H new ATOM 0 HE2 LYS A 14 6.162 -12.674 -15.846 1.00 0.23 H new ATOM 0 HE3 LYS A 14 5.319 -12.513 -14.318 1.00 0.23 H new ATOM 0 HZ1 LYS A 14 5.004 -10.567 -15.701 1.00 52.31 H new ATOM 0 HZ2 LYS A 14 5.863 -10.147 -14.298 1.00 52.31 H new ATOM 0 HZ3 LYS A 14 6.680 -10.303 -15.779 1.00 52.31 H new ATOM 227 N ARG A 15 9.842 -16.683 -12.039 1.00 24.20 N ATOM 228 CA ARG A 15 11.026 -17.409 -12.484 1.00 2.23 C ATOM 229 C ARG A 15 10.760 -18.911 -12.517 1.00 74.55 C ATOM 230 O ARG A 15 11.236 -19.617 -13.408 1.00 13.42 O ATOM 231 CB ARG A 15 12.209 -17.111 -11.561 1.00 52.33 C ATOM 232 CG ARG A 15 13.115 -16.003 -12.072 1.00 60.13 C ATOM 233 CD ARG A 15 13.692 -16.341 -13.438 1.00 64.22 C ATOM 234 NE ARG A 15 13.442 -15.284 -14.414 1.00 31.41 N ATOM 235 CZ ARG A 15 13.482 -15.473 -15.728 1.00 3.45 C ATOM 236 NH1 ARG A 15 13.760 -16.672 -16.221 1.00 71.10 N1+ ATOM 237 NH2 ARG A 15 13.244 -14.461 -16.553 1.00 54.20 N ATOM 0 H ARG A 15 9.881 -16.365 -11.071 1.00 24.20 H new ATOM 0 HA ARG A 15 11.268 -17.077 -13.493 1.00 2.23 H new ATOM 0 HB2 ARG A 15 11.831 -16.835 -10.577 1.00 52.33 H new ATOM 0 HB3 ARG A 15 12.797 -18.020 -11.433 1.00 52.33 H new ATOM 0 HG2 ARG A 15 12.553 -15.071 -12.134 1.00 60.13 H new ATOM 0 HG3 ARG A 15 13.927 -15.839 -11.363 1.00 60.13 H new ATOM 0 HD2 ARG A 15 14.766 -16.504 -13.348 1.00 64.22 H new ATOM 0 HD3 ARG A 15 13.256 -17.274 -13.795 1.00 64.22 H new ATOM 0 HE ARG A 15 13.225 -14.350 -14.068 1.00 31.41 H new ATOM 0 HH11 ARG A 15 13.944 -17.453 -15.591 1.00 71.10 H new ATOM 0 HH12 ARG A 15 13.790 -16.814 -17.231 1.00 71.10 H new ATOM 0 HH21 ARG A 15 13.030 -13.537 -16.178 1.00 54.20 H new ATOM 0 HH22 ARG A 15 13.275 -14.607 -17.562 1.00 54.20 H new ATOM 251 N LEU A 16 9.996 -19.394 -11.544 1.00 62.42 N ATOM 252 CA LEU A 16 9.667 -20.813 -11.461 1.00 42.54 C ATOM 253 C LEU A 16 8.717 -21.218 -12.585 1.00 3.14 C ATOM 254 O LEU A 16 8.614 -22.394 -12.929 1.00 45.05 O ATOM 255 CB LEU A 16 9.037 -21.133 -10.105 1.00 71.15 C ATOM 256 CG LEU A 16 7.509 -21.138 -10.060 1.00 53.24 C ATOM 257 CD1 LEU A 16 6.966 -22.491 -10.492 1.00 44.00 C ATOM 258 CD2 LEU A 16 7.015 -20.784 -8.664 1.00 22.33 C ATOM 0 H LEU A 16 9.592 -18.824 -10.801 1.00 62.42 H new ATOM 0 HA LEU A 16 10.591 -21.382 -11.568 1.00 42.54 H new ATOM 0 HB2 LEU A 16 9.393 -22.112 -9.783 1.00 71.15 H new ATOM 0 HB3 LEU A 16 9.400 -20.407 -9.378 1.00 71.15 H new ATOM 0 HG LEU A 16 7.142 -20.384 -10.756 1.00 53.24 H new ATOM 0 HD11 LEU A 16 5.877 -22.475 -10.453 1.00 44.00 H new ATOM 0 HD12 LEU A 16 7.290 -22.705 -11.511 1.00 44.00 H new ATOM 0 HD13 LEU A 16 7.341 -23.264 -9.822 1.00 44.00 H new ATOM 0 HD21 LEU A 16 5.925 -20.792 -8.651 1.00 22.33 H new ATOM 0 HD22 LEU A 16 7.392 -21.515 -7.948 1.00 22.33 H new ATOM 0 HD23 LEU A 16 7.374 -19.791 -8.392 1.00 22.33 H new ATOM 270 N GLU A 17 8.028 -20.233 -13.153 1.00 24.21 N ATOM 271 CA GLU A 17 7.088 -20.487 -14.239 1.00 73.03 C ATOM 272 C GLU A 17 7.814 -21.004 -15.478 1.00 53.54 C ATOM 273 O GLU A 17 7.191 -21.514 -16.409 1.00 53.11 O ATOM 274 CB GLU A 17 6.314 -19.213 -14.582 1.00 62.44 C ATOM 275 CG GLU A 17 5.358 -18.768 -13.488 1.00 32.22 C ATOM 276 CD GLU A 17 4.342 -17.755 -13.977 1.00 55.30 C ATOM 277 OE1 GLU A 17 3.828 -17.925 -15.102 1.00 64.43 O ATOM 278 OE2 GLU A 17 4.063 -16.789 -13.236 1.00 71.21 O1- ATOM 0 H GLU A 17 8.103 -19.253 -12.880 1.00 24.21 H new ATOM 0 HA GLU A 17 6.386 -21.251 -13.906 1.00 73.03 H new ATOM 0 HB2 GLU A 17 7.023 -18.410 -14.782 1.00 62.44 H new ATOM 0 HB3 GLU A 17 5.751 -19.377 -15.501 1.00 62.44 H new ATOM 0 HG2 GLU A 17 4.835 -19.638 -13.091 1.00 32.22 H new ATOM 0 HG3 GLU A 17 5.929 -18.337 -12.666 1.00 32.22 H new ATOM 285 N SER A 18 9.136 -20.866 -15.481 1.00 60.23 N ATOM 286 CA SER A 18 9.948 -21.314 -16.607 1.00 50.12 C ATOM 287 C SER A 18 10.061 -22.836 -16.624 1.00 44.52 C ATOM 288 O SER A 18 10.422 -23.431 -17.640 1.00 12.43 O ATOM 289 CB SER A 18 11.342 -20.688 -16.538 1.00 53.43 C ATOM 290 OG SER A 18 11.679 -20.058 -17.763 1.00 62.03 O ATOM 0 H SER A 18 9.667 -20.448 -14.717 1.00 60.23 H new ATOM 0 HA SER A 18 9.459 -20.993 -17.527 1.00 50.12 H new ATOM 0 HB2 SER A 18 11.377 -19.959 -15.729 1.00 53.43 H new ATOM 0 HB3 SER A 18 12.079 -21.457 -16.306 1.00 53.43 H new ATOM 0 HG SER A 18 12.574 -19.664 -17.693 1.00 62.03 H new ATOM 296 N ILE A 19 9.751 -23.458 -15.492 1.00 61.30 N ATOM 297 CA ILE A 19 9.816 -24.910 -15.376 1.00 41.24 C ATOM 298 C ILE A 19 9.161 -25.587 -16.574 1.00 31.14 C ATOM 299 O ILE A 19 8.093 -25.173 -17.027 1.00 72.51 O ATOM 300 CB ILE A 19 9.136 -25.402 -14.085 1.00 11.12 C ATOM 301 CG1 ILE A 19 9.918 -24.931 -12.858 1.00 33.03 C ATOM 302 CG2 ILE A 19 9.018 -26.919 -14.096 1.00 52.32 C ATOM 303 CD1 ILE A 19 9.079 -24.848 -11.602 1.00 70.51 C ATOM 0 H ILE A 19 9.452 -22.980 -14.642 1.00 61.30 H new ATOM 0 HA ILE A 19 10.872 -25.178 -15.345 1.00 41.24 H new ATOM 0 HB ILE A 19 8.133 -24.979 -14.035 1.00 11.12 H new ATOM 0 HG12 ILE A 19 10.751 -25.612 -12.684 1.00 33.03 H new ATOM 0 HG13 ILE A 19 10.346 -23.950 -13.065 1.00 33.03 H new ATOM 0 HG21 ILE A 19 8.536 -27.253 -13.177 1.00 52.32 H new ATOM 0 HG22 ILE A 19 8.422 -27.231 -14.953 1.00 52.32 H new ATOM 0 HG23 ILE A 19 10.012 -27.361 -14.165 1.00 52.32 H new ATOM 0 HD11 ILE A 19 9.699 -24.507 -10.772 1.00 70.51 H new ATOM 0 HD12 ILE A 19 8.261 -24.144 -11.757 1.00 70.51 H new ATOM 0 HD13 ILE A 19 8.672 -25.832 -11.371 1.00 70.51 H new ATOM 315 N ASP A 20 9.805 -26.631 -17.083 1.00 31.11 N ATOM 316 CA ASP A 20 9.284 -27.368 -18.227 1.00 60.31 C ATOM 317 C ASP A 20 8.930 -28.800 -17.836 1.00 52.22 C ATOM 318 O ASP A 20 9.602 -29.431 -17.020 1.00 2.52 O ATOM 319 CB ASP A 20 10.305 -27.376 -19.365 1.00 72.22 C ATOM 320 CG ASP A 20 9.787 -26.689 -20.614 1.00 72.21 C ATOM 321 OD1 ASP A 20 9.471 -25.483 -20.538 1.00 54.13 O1- ATOM 322 OD2 ASP A 20 9.697 -27.357 -21.664 1.00 1.44 O ATOM 0 H ASP A 20 10.690 -26.986 -16.721 1.00 31.11 H new ATOM 0 HA ASP A 20 8.377 -26.868 -18.566 1.00 60.31 H new ATOM 0 HB2 ASP A 20 11.218 -26.881 -19.034 1.00 72.22 H new ATOM 0 HB3 ASP A 20 10.570 -28.406 -19.604 1.00 72.22 H new ATOM 327 N PRO A 21 7.848 -29.326 -18.429 1.00 3.01 N ATOM 328 CA PRO A 21 7.379 -30.687 -18.157 1.00 51.32 C ATOM 329 C PRO A 21 8.322 -31.747 -18.716 1.00 31.01 C ATOM 330 O PRO A 21 8.154 -32.939 -18.460 1.00 73.52 O ATOM 331 CB PRO A 21 6.026 -30.746 -18.868 1.00 40.32 C ATOM 332 CG PRO A 21 6.123 -29.727 -19.951 1.00 41.15 C ATOM 333 CD PRO A 21 6.998 -28.631 -19.410 1.00 41.12 C ATOM 0 HA PRO A 21 7.322 -30.892 -17.088 1.00 51.32 H new ATOM 0 HB2 PRO A 21 5.835 -31.739 -19.275 1.00 40.32 H new ATOM 0 HB3 PRO A 21 5.209 -30.520 -18.183 1.00 40.32 H new ATOM 0 HG2 PRO A 21 6.552 -30.158 -20.856 1.00 41.15 H new ATOM 0 HG3 PRO A 21 5.137 -29.345 -20.217 1.00 41.15 H new ATOM 0 HD2 PRO A 21 7.591 -28.165 -20.197 1.00 41.12 H new ATOM 0 HD3 PRO A 21 6.410 -27.841 -18.944 1.00 41.12 H new ATOM 341 N ALA A 22 9.314 -31.306 -19.483 1.00 74.25 N ATOM 342 CA ALA A 22 10.285 -32.216 -20.077 1.00 71.25 C ATOM 343 C ALA A 22 11.414 -32.527 -19.101 1.00 24.44 C ATOM 344 O ALA A 22 12.291 -33.339 -19.391 1.00 64.13 O ATOM 345 CB ALA A 22 10.844 -31.626 -21.363 1.00 74.40 C ATOM 0 H ALA A 22 9.466 -30.323 -19.708 1.00 74.25 H new ATOM 0 HA ALA A 22 9.774 -33.150 -20.311 1.00 71.25 H new ATOM 0 HB1 ALA A 22 11.568 -32.317 -21.796 1.00 74.40 H new ATOM 0 HB2 ALA A 22 10.032 -31.461 -22.071 1.00 74.40 H new ATOM 0 HB3 ALA A 22 11.333 -30.677 -21.145 1.00 74.40 H new ATOM 351 N ASN A 23 11.386 -31.875 -17.943 1.00 31.42 N ATOM 352 CA ASN A 23 12.409 -32.082 -16.924 1.00 33.21 C ATOM 353 C ASN A 23 12.135 -31.219 -15.696 1.00 71.22 C ATOM 354 O ASN A 23 12.319 -30.001 -15.727 1.00 21.44 O ATOM 355 CB ASN A 23 13.793 -31.760 -17.490 1.00 24.34 C ATOM 356 CG ASN A 23 14.802 -32.857 -17.209 1.00 24.24 C ATOM 357 OD1 ASN A 23 15.162 -33.628 -18.099 1.00 64.52 O ATOM 358 ND2 ASN A 23 15.262 -32.934 -15.966 1.00 44.13 N ATOM 0 H ASN A 23 10.666 -31.199 -17.687 1.00 31.42 H new ATOM 0 HA ASN A 23 12.382 -33.129 -16.623 1.00 33.21 H new ATOM 0 HB2 ASN A 23 13.716 -31.608 -18.567 1.00 24.34 H new ATOM 0 HB3 ASN A 23 14.149 -30.824 -17.061 1.00 24.34 H new ATOM 0 HD21 ASN A 23 15.941 -33.653 -15.717 1.00 44.13 H new ATOM 0 HD22 ASN A 23 14.936 -32.274 -15.260 1.00 44.13 H new ATOM 365 N ARG A 24 11.698 -31.857 -14.616 1.00 31.34 N ATOM 366 CA ARG A 24 11.399 -31.148 -13.378 1.00 3.31 C ATOM 367 C ARG A 24 12.526 -31.327 -12.363 1.00 41.40 C ATOM 368 O ARG A 24 13.488 -32.051 -12.614 1.00 60.52 O ATOM 369 CB ARG A 24 10.080 -31.646 -12.785 1.00 43.24 C ATOM 370 CG ARG A 24 8.920 -31.612 -13.766 1.00 73.04 C ATOM 371 CD ARG A 24 8.440 -30.191 -14.013 1.00 15.52 C ATOM 372 NE ARG A 24 8.140 -29.491 -12.766 1.00 53.32 N ATOM 373 CZ ARG A 24 6.933 -29.460 -12.213 1.00 20.53 C ATOM 374 NH1 ARG A 24 5.918 -30.087 -12.793 1.00 42.41 N1+ ATOM 375 NH2 ARG A 24 6.739 -28.801 -11.077 1.00 32.13 N ATOM 0 H ARG A 24 11.543 -32.864 -14.573 1.00 31.34 H new ATOM 0 HA ARG A 24 11.307 -30.087 -13.610 1.00 3.31 H new ATOM 0 HB2 ARG A 24 10.214 -32.668 -12.429 1.00 43.24 H new ATOM 0 HB3 ARG A 24 9.829 -31.037 -11.917 1.00 43.24 H new ATOM 0 HG2 ARG A 24 9.227 -32.063 -14.710 1.00 73.04 H new ATOM 0 HG3 ARG A 24 8.097 -32.213 -13.379 1.00 73.04 H new ATOM 0 HD2 ARG A 24 9.203 -29.641 -14.563 1.00 15.52 H new ATOM 0 HD3 ARG A 24 7.549 -30.213 -14.640 1.00 15.52 H new ATOM 0 HE ARG A 24 8.899 -28.999 -12.294 1.00 53.32 H new ATOM 0 HH11 ARG A 24 6.064 -30.594 -13.666 1.00 42.41 H new ATOM 0 HH12 ARG A 24 4.992 -30.062 -12.366 1.00 42.41 H new ATOM 0 HH21 ARG A 24 7.517 -28.318 -10.628 1.00 32.13 H new ATOM 0 HH22 ARG A 24 5.812 -28.778 -10.653 1.00 32.13 H new ATOM 389 N GLN A 25 12.396 -30.663 -11.220 1.00 23.44 N ATOM 390 CA GLN A 25 13.403 -30.747 -10.169 1.00 3.41 C ATOM 391 C GLN A 25 12.871 -31.519 -8.965 1.00 43.32 C ATOM 392 O GLN A 25 13.531 -32.421 -8.452 1.00 3.03 O ATOM 393 CB GLN A 25 13.842 -29.347 -9.739 1.00 73.40 C ATOM 394 CG GLN A 25 15.348 -29.198 -9.594 1.00 65.05 C ATOM 395 CD GLN A 25 16.056 -29.104 -10.932 1.00 54.13 C ATOM 396 OE1 GLN A 25 15.424 -28.897 -11.968 1.00 72.12 O ATOM 397 NE2 GLN A 25 17.375 -29.256 -10.914 1.00 12.31 N ATOM 0 H GLN A 25 11.603 -30.061 -10.998 1.00 23.44 H new ATOM 0 HA GLN A 25 14.264 -31.282 -10.569 1.00 3.41 H new ATOM 0 HB2 GLN A 25 13.482 -28.622 -10.470 1.00 73.40 H new ATOM 0 HB3 GLN A 25 13.368 -29.103 -8.788 1.00 73.40 H new ATOM 0 HG2 GLN A 25 15.566 -28.305 -9.008 1.00 65.05 H new ATOM 0 HG3 GLN A 25 15.742 -30.049 -9.038 1.00 65.05 H new ATOM 0 HE21 GLN A 25 17.857 -29.426 -10.031 1.00 12.31 H new ATOM 0 HE22 GLN A 25 17.906 -29.203 -11.783 1.00 12.31 H new ATOM 406 N VAL A 26 11.671 -31.157 -8.521 1.00 53.35 N ATOM 407 CA VAL A 26 11.049 -31.814 -7.378 1.00 53.24 C ATOM 408 C VAL A 26 9.729 -31.146 -7.010 1.00 23.30 C ATOM 409 O VAL A 26 9.669 -29.932 -6.823 1.00 23.40 O ATOM 410 CB VAL A 26 11.978 -31.802 -6.149 1.00 62.44 C ATOM 411 CG1 VAL A 26 12.039 -30.410 -5.540 1.00 24.22 C ATOM 412 CG2 VAL A 26 11.514 -32.823 -5.122 1.00 61.33 C ATOM 0 H VAL A 26 11.111 -30.412 -8.936 1.00 53.35 H new ATOM 0 HA VAL A 26 10.860 -32.847 -7.672 1.00 53.24 H new ATOM 0 HB VAL A 26 12.983 -32.075 -6.471 1.00 62.44 H new ATOM 0 HG11 VAL A 26 12.700 -30.421 -4.673 1.00 24.22 H new ATOM 0 HG12 VAL A 26 12.421 -29.706 -6.279 1.00 24.22 H new ATOM 0 HG13 VAL A 26 11.040 -30.104 -5.231 1.00 24.22 H new ATOM 0 HG21 VAL A 26 12.181 -32.801 -4.260 1.00 61.33 H new ATOM 0 HG22 VAL A 26 10.500 -32.582 -4.802 1.00 61.33 H new ATOM 0 HG23 VAL A 26 11.528 -33.818 -5.566 1.00 61.33 H new ATOM 422 N GLU A 27 8.674 -31.948 -6.909 1.00 51.22 N ATOM 423 CA GLU A 27 7.354 -31.433 -6.563 1.00 53.14 C ATOM 424 C GLU A 27 7.055 -31.652 -5.083 1.00 20.43 C ATOM 425 O GLU A 27 7.099 -32.780 -4.590 1.00 21.25 O ATOM 426 CB GLU A 27 6.280 -32.108 -7.418 1.00 64.43 C ATOM 427 CG GLU A 27 6.008 -31.393 -8.731 1.00 1.54 C ATOM 428 CD GLU A 27 4.527 -31.211 -9.002 1.00 23.31 C ATOM 429 OE1 GLU A 27 3.929 -30.284 -8.415 1.00 13.03 O ATOM 430 OE2 GLU A 27 3.969 -31.993 -9.798 1.00 0.53 O1- ATOM 0 H GLU A 27 8.707 -32.956 -7.062 1.00 51.22 H new ATOM 0 HA GLU A 27 7.346 -30.361 -6.762 1.00 53.14 H new ATOM 0 HB2 GLU A 27 6.586 -33.133 -7.629 1.00 64.43 H new ATOM 0 HB3 GLU A 27 5.354 -32.164 -6.846 1.00 64.43 H new ATOM 0 HG2 GLU A 27 6.493 -30.417 -8.716 1.00 1.54 H new ATOM 0 HG3 GLU A 27 6.456 -31.959 -9.548 1.00 1.54 H new ATOM 437 N HIS A 28 6.750 -30.566 -4.380 1.00 1.34 N ATOM 438 CA HIS A 28 6.444 -30.639 -2.955 1.00 23.23 C ATOM 439 C HIS A 28 5.942 -29.294 -2.438 1.00 12.45 C ATOM 440 O HIS A 28 5.849 -28.324 -3.191 1.00 2.54 O ATOM 441 CB HIS A 28 7.679 -31.072 -2.167 1.00 64.15 C ATOM 442 CG HIS A 28 7.505 -32.374 -1.449 1.00 70.02 C ATOM 443 ND1 HIS A 28 8.138 -33.538 -1.835 1.00 64.13 N ATOM 444 CD2 HIS A 28 6.767 -32.693 -0.360 1.00 51.55 C ATOM 445 CE1 HIS A 28 7.793 -34.515 -1.016 1.00 15.35 C ATOM 446 NE2 HIS A 28 6.962 -34.029 -0.111 1.00 63.45 N ATOM 0 H HIS A 28 6.708 -29.626 -4.773 1.00 1.34 H new ATOM 0 HA HIS A 28 5.656 -31.380 -2.816 1.00 23.23 H new ATOM 0 HB2 HIS A 28 8.525 -31.153 -2.849 1.00 64.15 H new ATOM 0 HB3 HIS A 28 7.927 -30.297 -1.442 1.00 64.15 H new ATOM 0 HD2 HIS A 28 6.141 -32.021 0.208 1.00 51.55 H new ATOM 0 HE1 HIS A 28 8.133 -35.538 -1.076 1.00 15.35 H new ATOM 0 HE2 HIS A 28 6.535 -34.560 0.648 1.00 63.45 H new ATOM 454 N VAL A 29 5.618 -29.244 -1.151 1.00 54.23 N ATOM 455 CA VAL A 29 5.125 -28.019 -0.533 1.00 31.14 C ATOM 456 C VAL A 29 6.207 -27.356 0.312 1.00 41.44 C ATOM 457 O VAL A 29 6.880 -28.014 1.106 1.00 25.11 O ATOM 458 CB VAL A 29 3.894 -28.292 0.352 1.00 21.50 C ATOM 459 CG1 VAL A 29 3.493 -27.035 1.110 1.00 32.45 C ATOM 460 CG2 VAL A 29 2.738 -28.809 -0.490 1.00 5.11 C ATOM 0 H VAL A 29 5.688 -30.038 -0.515 1.00 54.23 H new ATOM 0 HA VAL A 29 4.839 -27.349 -1.344 1.00 31.14 H new ATOM 0 HB VAL A 29 4.154 -29.060 1.081 1.00 21.50 H new ATOM 0 HG11 VAL A 29 2.622 -27.246 1.730 1.00 32.45 H new ATOM 0 HG12 VAL A 29 4.320 -26.713 1.743 1.00 32.45 H new ATOM 0 HG13 VAL A 29 3.250 -26.244 0.400 1.00 32.45 H new ATOM 0 HG21 VAL A 29 1.877 -28.997 0.151 1.00 5.11 H new ATOM 0 HG22 VAL A 29 2.475 -28.066 -1.243 1.00 5.11 H new ATOM 0 HG23 VAL A 29 3.033 -29.736 -0.983 1.00 5.11 H new ATOM 470 N TYR A 30 6.371 -26.049 0.135 1.00 54.15 N ATOM 471 CA TYR A 30 7.373 -25.296 0.879 1.00 42.42 C ATOM 472 C TYR A 30 6.716 -24.243 1.766 1.00 53.31 C ATOM 473 O TYR A 30 5.520 -23.973 1.649 1.00 71.04 O ATOM 474 CB TYR A 30 8.357 -24.628 -0.083 1.00 40.44 C ATOM 475 CG TYR A 30 9.360 -25.586 -0.684 1.00 1.42 C ATOM 476 CD1 TYR A 30 9.011 -26.411 -1.747 1.00 23.33 C ATOM 477 CD2 TYR A 30 10.657 -25.667 -0.191 1.00 63.54 C ATOM 478 CE1 TYR A 30 9.925 -27.288 -2.300 1.00 42.43 C ATOM 479 CE2 TYR A 30 11.576 -26.540 -0.738 1.00 50.54 C ATOM 480 CZ TYR A 30 11.206 -27.349 -1.792 1.00 32.12 C ATOM 481 OH TYR A 30 12.119 -28.221 -2.340 1.00 33.15 O ATOM 0 H TYR A 30 5.822 -25.489 -0.518 1.00 54.15 H new ATOM 0 HA TYR A 30 7.916 -25.994 1.517 1.00 42.42 H new ATOM 0 HB2 TYR A 30 7.798 -24.149 -0.887 1.00 40.44 H new ATOM 0 HB3 TYR A 30 8.892 -23.840 0.447 1.00 40.44 H new ATOM 0 HD1 TYR A 30 8.009 -26.366 -2.147 1.00 23.33 H new ATOM 0 HD2 TYR A 30 10.951 -25.036 0.635 1.00 63.54 H new ATOM 0 HE1 TYR A 30 9.638 -27.922 -3.126 1.00 42.43 H new ATOM 0 HE2 TYR A 30 12.580 -26.589 -0.343 1.00 50.54 H new ATOM 0 HH TYR A 30 13.022 -27.851 -2.247 1.00 33.15 H new ATOM 491 N LYS A 31 7.507 -23.648 2.652 1.00 21.53 N ATOM 492 CA LYS A 31 7.005 -22.622 3.558 1.00 33.30 C ATOM 493 C LYS A 31 8.002 -21.474 3.685 1.00 72.40 C ATOM 494 O LYS A 31 9.195 -21.694 3.891 1.00 42.23 O ATOM 495 CB LYS A 31 6.727 -23.223 4.938 1.00 30.01 C ATOM 496 CG LYS A 31 6.389 -22.187 5.996 1.00 12.24 C ATOM 497 CD LYS A 31 5.233 -22.640 6.872 1.00 72.33 C ATOM 498 CE LYS A 31 5.713 -23.514 8.020 1.00 1.42 C ATOM 499 NZ LYS A 31 5.549 -22.839 9.338 1.00 74.42 N1+ ATOM 0 H LYS A 31 8.499 -23.859 2.762 1.00 21.53 H new ATOM 0 HA LYS A 31 6.076 -22.230 3.144 1.00 33.30 H new ATOM 0 HB2 LYS A 31 5.902 -23.930 4.857 1.00 30.01 H new ATOM 0 HB3 LYS A 31 7.601 -23.789 5.261 1.00 30.01 H new ATOM 0 HG2 LYS A 31 7.265 -22.000 6.617 1.00 12.24 H new ATOM 0 HG3 LYS A 31 6.133 -21.244 5.514 1.00 12.24 H new ATOM 0 HD2 LYS A 31 4.713 -21.768 7.270 1.00 72.33 H new ATOM 0 HD3 LYS A 31 4.513 -23.193 6.269 1.00 72.33 H new ATOM 0 HE2 LYS A 31 5.156 -24.451 8.020 1.00 1.42 H new ATOM 0 HE3 LYS A 31 6.763 -23.767 7.870 1.00 1.42 H new ATOM 0 HZ1 LYS A 31 5.321 -23.547 10.065 1.00 74.42 H new ATOM 0 HZ2 LYS A 31 6.433 -22.355 9.592 1.00 74.42 H new ATOM 0 HZ3 LYS A 31 4.778 -22.143 9.278 1.00 74.42 H new ATOM 513 N PHE A 32 7.503 -20.248 3.562 1.00 21.34 N ATOM 514 CA PHE A 32 8.350 -19.065 3.663 1.00 31.43 C ATOM 515 C PHE A 32 7.785 -18.076 4.678 1.00 73.13 C ATOM 516 O PHE A 32 6.699 -17.527 4.488 1.00 30.25 O ATOM 517 CB PHE A 32 8.484 -18.389 2.297 1.00 2.44 C ATOM 518 CG PHE A 32 9.872 -18.455 1.728 1.00 52.35 C ATOM 519 CD1 PHE A 32 10.322 -19.603 1.094 1.00 25.20 C ATOM 520 CD2 PHE A 32 10.729 -17.371 1.830 1.00 34.32 C ATOM 521 CE1 PHE A 32 11.599 -19.666 0.570 1.00 15.23 C ATOM 522 CE2 PHE A 32 12.007 -17.430 1.307 1.00 31.04 C ATOM 523 CZ PHE A 32 12.443 -18.579 0.677 1.00 34.24 C ATOM 0 H PHE A 32 6.517 -20.048 3.392 1.00 21.34 H new ATOM 0 HA PHE A 32 9.336 -19.383 4.002 1.00 31.43 H new ATOM 0 HB2 PHE A 32 7.791 -18.859 1.599 1.00 2.44 H new ATOM 0 HB3 PHE A 32 8.186 -17.344 2.387 1.00 2.44 H new ATOM 0 HD1 PHE A 32 9.667 -20.458 1.009 1.00 25.20 H new ATOM 0 HD2 PHE A 32 10.395 -16.470 2.323 1.00 34.32 H new ATOM 0 HE1 PHE A 32 11.937 -20.566 0.077 1.00 15.23 H new ATOM 0 HE2 PHE A 32 12.665 -16.577 1.391 1.00 31.04 H new ATOM 0 HZ PHE A 32 13.442 -18.627 0.269 1.00 34.24 H new ATOM 533 N ARG A 33 8.528 -17.855 5.758 1.00 2.52 N ATOM 534 CA ARG A 33 8.100 -16.935 6.804 1.00 14.43 C ATOM 535 C ARG A 33 8.735 -15.561 6.612 1.00 75.14 C ATOM 536 O ARG A 33 9.936 -15.449 6.367 1.00 61.42 O ATOM 537 CB ARG A 33 8.468 -17.490 8.182 1.00 2.14 C ATOM 538 CG ARG A 33 8.374 -16.462 9.297 1.00 20.25 C ATOM 539 CD ARG A 33 7.549 -16.981 10.464 1.00 10.22 C ATOM 540 NE ARG A 33 8.383 -17.325 11.614 1.00 11.44 N ATOM 541 CZ ARG A 33 8.940 -18.518 11.786 1.00 10.32 C ATOM 542 NH1 ARG A 33 8.756 -19.476 10.888 1.00 23.32 N1+ ATOM 543 NH2 ARG A 33 9.686 -18.754 12.857 1.00 25.32 N ATOM 0 H ARG A 33 9.429 -18.301 5.931 1.00 2.52 H new ATOM 0 HA ARG A 33 7.017 -16.829 6.739 1.00 14.43 H new ATOM 0 HB2 ARG A 33 7.810 -18.327 8.415 1.00 2.14 H new ATOM 0 HB3 ARG A 33 9.484 -17.883 8.147 1.00 2.14 H new ATOM 0 HG2 ARG A 33 9.375 -16.206 9.643 1.00 20.25 H new ATOM 0 HG3 ARG A 33 7.926 -15.546 8.912 1.00 20.25 H new ATOM 0 HD2 ARG A 33 6.821 -16.225 10.758 1.00 10.22 H new ATOM 0 HD3 ARG A 33 6.987 -17.860 10.148 1.00 10.22 H new ATOM 0 HE ARG A 33 8.546 -16.610 12.323 1.00 11.44 H new ATOM 0 HH11 ARG A 33 8.185 -19.298 10.062 1.00 23.32 H new ATOM 0 HH12 ARG A 33 9.185 -20.391 11.023 1.00 23.32 H new ATOM 0 HH21 ARG A 33 9.832 -18.019 13.549 1.00 25.32 H new ATOM 0 HH22 ARG A 33 10.114 -19.671 12.989 1.00 25.32 H new ATOM 557 N ILE A 34 7.920 -14.518 6.724 1.00 62.22 N ATOM 558 CA ILE A 34 8.401 -13.152 6.563 1.00 24.14 C ATOM 559 C ILE A 34 8.271 -12.365 7.863 1.00 22.22 C ATOM 560 O ILE A 34 7.164 -12.081 8.323 1.00 15.22 O ATOM 561 CB ILE A 34 7.635 -12.412 5.451 1.00 45.40 C ATOM 562 CG1 ILE A 34 7.736 -13.182 4.133 1.00 40.21 C ATOM 563 CG2 ILE A 34 8.172 -10.998 5.287 1.00 73.20 C ATOM 564 CD1 ILE A 34 9.157 -13.515 3.736 1.00 0.34 C ATOM 0 H ILE A 34 6.923 -14.593 6.926 1.00 62.22 H new ATOM 0 HA ILE A 34 9.453 -13.220 6.286 1.00 24.14 H new ATOM 0 HB ILE A 34 6.584 -12.349 5.734 1.00 45.40 H new ATOM 0 HG12 ILE A 34 7.164 -14.106 4.217 1.00 40.21 H new ATOM 0 HG13 ILE A 34 7.274 -12.593 3.341 1.00 40.21 H new ATOM 0 HG21 ILE A 34 7.620 -10.488 4.497 1.00 73.20 H new ATOM 0 HG22 ILE A 34 8.053 -10.453 6.223 1.00 73.20 H new ATOM 0 HG23 ILE A 34 9.229 -11.038 5.023 1.00 73.20 H new ATOM 0 HD11 ILE A 34 9.153 -14.061 2.792 1.00 0.34 H new ATOM 0 HD12 ILE A 34 9.728 -12.594 3.620 1.00 0.34 H new ATOM 0 HD13 ILE A 34 9.616 -14.131 4.509 1.00 0.34 H new ATOM 576 N THR A 35 9.410 -12.016 8.453 1.00 73.35 N ATOM 577 CA THR A 35 9.424 -11.261 9.701 1.00 10.14 C ATOM 578 C THR A 35 9.957 -9.850 9.484 1.00 21.43 C ATOM 579 O THR A 35 10.925 -9.649 8.751 1.00 61.13 O ATOM 580 CB THR A 35 10.281 -11.963 10.771 1.00 42.42 C ATOM 581 OG1 THR A 35 11.532 -12.372 10.206 1.00 61.24 O ATOM 582 CG2 THR A 35 9.555 -13.173 11.338 1.00 21.42 C ATOM 0 H THR A 35 10.335 -12.244 8.087 1.00 73.35 H new ATOM 0 HA THR A 35 8.393 -11.206 10.050 1.00 10.14 H new ATOM 0 HB THR A 35 10.462 -11.256 11.581 1.00 42.42 H new ATOM 0 HG1 THR A 35 12.072 -12.816 10.893 1.00 61.24 H new ATOM 0 HG21 THR A 35 10.180 -13.652 12.092 1.00 21.42 H new ATOM 0 HG22 THR A 35 8.617 -12.854 11.793 1.00 21.42 H new ATOM 0 HG23 THR A 35 9.346 -13.881 10.536 1.00 21.42 H new ATOM 643 N VAL A 40 6.849 -11.698 13.127 1.00 13.33 N ATOM 644 CA VAL A 40 6.320 -12.200 11.863 1.00 41.44 C ATOM 645 C VAL A 40 5.247 -11.269 11.310 1.00 63.31 C ATOM 646 O VAL A 40 4.218 -11.041 11.945 1.00 63.13 O ATOM 647 CB VAL A 40 5.726 -13.612 12.024 1.00 45.24 C ATOM 648 CG1 VAL A 40 5.296 -14.167 10.675 1.00 55.31 C ATOM 649 CG2 VAL A 40 6.728 -14.537 12.698 1.00 51.40 C ATOM 0 HA VAL A 40 7.155 -12.244 11.164 1.00 41.44 H new ATOM 0 HB VAL A 40 4.843 -13.547 12.660 1.00 45.24 H new ATOM 0 HG11 VAL A 40 4.879 -15.165 10.808 1.00 55.31 H new ATOM 0 HG12 VAL A 40 4.541 -13.514 10.237 1.00 55.31 H new ATOM 0 HG13 VAL A 40 6.159 -14.220 10.012 1.00 55.31 H new ATOM 0 HG21 VAL A 40 6.292 -15.530 12.804 1.00 51.40 H new ATOM 0 HG22 VAL A 40 7.631 -14.600 12.091 1.00 51.40 H new ATOM 0 HG23 VAL A 40 6.980 -14.144 13.683 1.00 51.40 H new ATOM 659 N VAL A 41 5.494 -10.733 10.117 1.00 34.35 N ATOM 660 CA VAL A 41 4.549 -9.829 9.475 1.00 44.34 C ATOM 661 C VAL A 41 3.505 -10.600 8.676 1.00 12.15 C ATOM 662 O VAL A 41 2.340 -10.207 8.611 1.00 4.11 O ATOM 663 CB VAL A 41 5.267 -8.839 8.538 1.00 3.41 C ATOM 664 CG1 VAL A 41 5.512 -9.473 7.178 1.00 40.14 C ATOM 665 CG2 VAL A 41 4.461 -7.556 8.401 1.00 22.42 C ATOM 0 H VAL A 41 6.341 -10.910 9.577 1.00 34.35 H new ATOM 0 HA VAL A 41 4.055 -9.272 10.271 1.00 44.34 H new ATOM 0 HB VAL A 41 6.234 -8.588 8.974 1.00 3.41 H new ATOM 0 HG11 VAL A 41 6.020 -8.759 6.530 1.00 40.14 H new ATOM 0 HG12 VAL A 41 6.133 -10.361 7.297 1.00 40.14 H new ATOM 0 HG13 VAL A 41 4.559 -9.755 6.731 1.00 40.14 H new ATOM 0 HG21 VAL A 41 4.983 -6.868 7.736 1.00 22.42 H new ATOM 0 HG22 VAL A 41 3.479 -7.786 7.988 1.00 22.42 H new ATOM 0 HG23 VAL A 41 4.343 -7.094 9.381 1.00 22.42 H new ATOM 675 N LYS A 42 3.930 -11.704 8.069 1.00 42.43 N ATOM 676 CA LYS A 42 3.032 -12.534 7.275 1.00 33.55 C ATOM 677 C LYS A 42 3.751 -13.779 6.765 1.00 43.41 C ATOM 678 O LYS A 42 4.960 -13.760 6.539 1.00 1.03 O ATOM 679 CB LYS A 42 2.475 -11.735 6.095 1.00 52.12 C ATOM 680 CG LYS A 42 0.958 -11.652 6.077 1.00 64.32 C ATOM 681 CD LYS A 42 0.473 -10.253 6.418 1.00 52.31 C ATOM 682 CE LYS A 42 -0.432 -10.259 7.640 1.00 23.22 C ATOM 683 NZ LYS A 42 -1.849 -10.542 7.281 1.00 13.02 N1+ ATOM 0 H LYS A 42 4.891 -12.044 8.112 1.00 42.43 H new ATOM 0 HA LYS A 42 2.207 -12.848 7.915 1.00 33.55 H new ATOM 0 HB2 LYS A 42 2.885 -10.726 6.125 1.00 52.12 H new ATOM 0 HB3 LYS A 42 2.816 -12.190 5.165 1.00 52.12 H new ATOM 0 HG2 LYS A 42 0.589 -11.936 5.092 1.00 64.32 H new ATOM 0 HG3 LYS A 42 0.545 -12.365 6.790 1.00 64.32 H new ATOM 0 HD2 LYS A 42 1.330 -9.605 6.602 1.00 52.31 H new ATOM 0 HD3 LYS A 42 -0.066 -9.836 5.567 1.00 52.31 H new ATOM 0 HE2 LYS A 42 -0.080 -11.009 8.348 1.00 23.22 H new ATOM 0 HE3 LYS A 42 -0.371 -9.293 8.142 1.00 23.22 H new ATOM 0 HZ1 LYS A 42 -2.433 -10.537 8.142 1.00 13.02 H new ATOM 0 HZ2 LYS A 42 -2.193 -9.812 6.625 1.00 13.02 H new ATOM 0 HZ3 LYS A 42 -1.912 -11.475 6.825 1.00 13.02 H new ATOM 697 N ASN A 43 2.998 -14.860 6.586 1.00 34.54 N ATOM 698 CA ASN A 43 3.564 -16.114 6.102 1.00 55.25 C ATOM 699 C ASN A 43 3.502 -16.187 4.579 1.00 40.53 C ATOM 700 O ASN A 43 2.796 -15.408 3.939 1.00 31.40 O ATOM 701 CB ASN A 43 2.819 -17.302 6.712 1.00 53.41 C ATOM 702 CG ASN A 43 3.359 -17.685 8.077 1.00 44.33 C ATOM 703 OD1 ASN A 43 4.337 -18.425 8.185 1.00 24.42 O ATOM 704 ND2 ASN A 43 2.720 -17.182 9.127 1.00 72.11 N ATOM 0 H ASN A 43 1.995 -14.893 6.769 1.00 34.54 H new ATOM 0 HA ASN A 43 4.610 -16.154 6.407 1.00 55.25 H new ATOM 0 HB2 ASN A 43 1.760 -17.058 6.799 1.00 53.41 H new ATOM 0 HB3 ASN A 43 2.895 -18.158 6.041 1.00 53.41 H new ATOM 0 HD21 ASN A 43 3.036 -17.405 10.071 1.00 72.11 H new ATOM 0 HD22 ASN A 43 1.914 -16.573 8.989 1.00 72.11 H new ATOM 711 N TRP A 44 4.244 -17.127 4.007 1.00 22.12 N ATOM 712 CA TRP A 44 4.274 -17.303 2.560 1.00 23.21 C ATOM 713 C TRP A 44 4.307 -18.782 2.191 1.00 15.33 C ATOM 714 O TRP A 44 4.948 -19.586 2.870 1.00 44.21 O ATOM 715 CB TRP A 44 5.487 -16.588 1.963 1.00 45.14 C ATOM 716 CG TRP A 44 5.128 -15.362 1.180 1.00 71.55 C ATOM 717 CD1 TRP A 44 5.017 -15.260 -0.177 1.00 73.33 C ATOM 718 CD2 TRP A 44 4.836 -14.063 1.707 1.00 22.02 C ATOM 719 NE1 TRP A 44 4.672 -13.977 -0.526 1.00 52.22 N ATOM 720 CE2 TRP A 44 4.555 -13.222 0.612 1.00 25.04 C ATOM 721 CE3 TRP A 44 4.782 -13.529 2.997 1.00 55.22 C ATOM 722 CZ2 TRP A 44 4.227 -11.879 0.771 1.00 62.41 C ATOM 723 CZ3 TRP A 44 4.456 -12.195 3.153 1.00 62.30 C ATOM 724 CH2 TRP A 44 4.182 -11.382 2.045 1.00 1.02 C ATOM 0 H TRP A 44 4.834 -17.780 4.523 1.00 22.12 H new ATOM 0 HA TRP A 44 3.365 -16.866 2.148 1.00 23.21 H new ATOM 0 HB2 TRP A 44 6.168 -16.310 2.767 1.00 45.14 H new ATOM 0 HB3 TRP A 44 6.025 -17.280 1.315 1.00 45.14 H new ATOM 0 HD1 TRP A 44 5.177 -16.069 -0.874 1.00 73.33 H new ATOM 0 HE1 TRP A 44 4.526 -13.641 -1.478 1.00 52.22 H new ATOM 0 HE3 TRP A 44 4.991 -14.148 3.857 1.00 55.22 H new ATOM 0 HZ2 TRP A 44 4.015 -11.251 -0.082 1.00 62.41 H new ATOM 0 HZ3 TRP A 44 4.412 -11.772 4.146 1.00 62.30 H new ATOM 0 HH2 TRP A 44 3.930 -10.343 2.200 1.00 1.02 H new ATOM 735 N VAL A 45 3.615 -19.135 1.113 1.00 5.25 N ATOM 736 CA VAL A 45 3.568 -20.518 0.654 1.00 60.54 C ATOM 737 C VAL A 45 4.021 -20.631 -0.797 1.00 5.42 C ATOM 738 O VAL A 45 3.712 -19.773 -1.623 1.00 33.13 O ATOM 739 CB VAL A 45 2.150 -21.105 0.785 1.00 52.33 C ATOM 740 CG1 VAL A 45 2.073 -22.471 0.120 1.00 0.31 C ATOM 741 CG2 VAL A 45 1.741 -21.190 2.248 1.00 33.43 C ATOM 0 H VAL A 45 3.079 -18.482 0.541 1.00 5.25 H new ATOM 0 HA VAL A 45 4.248 -21.086 1.289 1.00 60.54 H new ATOM 0 HB VAL A 45 1.452 -20.440 0.275 1.00 52.33 H new ATOM 0 HG11 VAL A 45 1.064 -22.869 0.223 1.00 0.31 H new ATOM 0 HG12 VAL A 45 2.319 -22.375 -0.938 1.00 0.31 H new ATOM 0 HG13 VAL A 45 2.781 -23.148 0.597 1.00 0.31 H new ATOM 0 HG21 VAL A 45 0.737 -21.607 2.321 1.00 33.43 H new ATOM 0 HG22 VAL A 45 2.440 -21.831 2.785 1.00 33.43 H new ATOM 0 HG23 VAL A 45 1.753 -20.193 2.688 1.00 33.43 H new ATOM 751 N MET A 46 4.755 -21.697 -1.100 1.00 62.23 N ATOM 752 CA MET A 46 5.250 -21.924 -2.453 1.00 35.14 C ATOM 753 C MET A 46 4.404 -22.970 -3.173 1.00 72.04 C ATOM 754 O MET A 46 4.577 -24.171 -2.965 1.00 51.41 O ATOM 755 CB MET A 46 6.712 -22.370 -2.416 1.00 33.01 C ATOM 756 CG MET A 46 7.655 -21.425 -3.144 1.00 43.13 C ATOM 757 SD MET A 46 8.525 -20.313 -2.023 1.00 65.24 S ATOM 758 CE MET A 46 10.220 -20.828 -2.284 1.00 25.52 C ATOM 0 H MET A 46 5.020 -22.417 -0.427 1.00 62.23 H new ATOM 0 HA MET A 46 5.179 -20.985 -3.002 1.00 35.14 H new ATOM 0 HB2 MET A 46 7.030 -22.458 -1.377 1.00 33.01 H new ATOM 0 HB3 MET A 46 6.792 -23.363 -2.859 1.00 33.01 H new ATOM 0 HG2 MET A 46 8.383 -22.008 -3.709 1.00 43.13 H new ATOM 0 HG3 MET A 46 7.088 -20.837 -3.866 1.00 43.13 H new ATOM 0 HE1 MET A 46 10.883 -19.972 -2.162 1.00 25.52 H new ATOM 0 HE2 MET A 46 10.482 -21.597 -1.558 1.00 25.52 H new ATOM 0 HE3 MET A 46 10.327 -21.229 -3.292 1.00 25.52 H new ATOM 768 N ASP A 47 3.492 -22.506 -4.020 1.00 71.12 N ATOM 769 CA ASP A 47 2.621 -23.402 -4.772 1.00 32.40 C ATOM 770 C ASP A 47 3.336 -23.950 -6.003 1.00 53.15 C ATOM 771 O ASP A 47 3.208 -23.405 -7.101 1.00 2.25 O ATOM 772 CB ASP A 47 1.343 -22.674 -5.190 1.00 13.44 C ATOM 773 CG ASP A 47 0.098 -23.296 -4.588 1.00 55.42 C ATOM 774 OD1 ASP A 47 0.177 -23.796 -3.448 1.00 11.32 O1- ATOM 775 OD2 ASP A 47 -0.956 -23.283 -5.259 1.00 72.40 O ATOM 0 H ASP A 47 3.337 -21.515 -4.203 1.00 71.12 H new ATOM 0 HA ASP A 47 2.358 -24.239 -4.126 1.00 32.40 H new ATOM 0 HB2 ASP A 47 1.407 -21.629 -4.885 1.00 13.44 H new ATOM 0 HB3 ASP A 47 1.261 -22.684 -6.277 1.00 13.44 H new ATOM 780 N LEU A 48 4.088 -25.027 -5.813 1.00 3.45 N ATOM 781 CA LEU A 48 4.826 -25.648 -6.908 1.00 34.13 C ATOM 782 C LEU A 48 3.891 -26.449 -7.809 1.00 74.54 C ATOM 783 O LEU A 48 4.291 -26.928 -8.870 1.00 65.54 O ATOM 784 CB LEU A 48 5.926 -26.558 -6.359 1.00 41.41 C ATOM 785 CG LEU A 48 7.206 -25.860 -5.899 1.00 71.10 C ATOM 786 CD1 LEU A 48 7.043 -25.321 -4.486 1.00 72.14 C ATOM 787 CD2 LEU A 48 8.390 -26.812 -5.975 1.00 24.33 C ATOM 0 H LEU A 48 4.203 -25.489 -4.911 1.00 3.45 H new ATOM 0 HA LEU A 48 5.282 -24.855 -7.500 1.00 34.13 H new ATOM 0 HB2 LEU A 48 5.519 -27.119 -5.518 1.00 41.41 H new ATOM 0 HB3 LEU A 48 6.188 -27.283 -7.129 1.00 41.41 H new ATOM 0 HG LEU A 48 7.398 -25.020 -6.566 1.00 71.10 H new ATOM 0 HD11 LEU A 48 7.964 -24.828 -4.176 1.00 72.14 H new ATOM 0 HD12 LEU A 48 6.222 -24.604 -4.462 1.00 72.14 H new ATOM 0 HD13 LEU A 48 6.826 -26.144 -3.805 1.00 72.14 H new ATOM 0 HD21 LEU A 48 9.292 -26.298 -5.644 1.00 24.33 H new ATOM 0 HD22 LEU A 48 8.206 -27.673 -5.332 1.00 24.33 H new ATOM 0 HD23 LEU A 48 8.521 -27.148 -7.003 1.00 24.33 H new ATOM 799 N LYS A 49 2.641 -26.589 -7.379 1.00 53.41 N ATOM 800 CA LYS A 49 1.646 -27.329 -8.148 1.00 44.45 C ATOM 801 C LYS A 49 1.000 -26.437 -9.203 1.00 13.33 C ATOM 802 O LYS A 49 1.016 -26.755 -10.392 1.00 1.23 O ATOM 803 CB LYS A 49 0.571 -27.896 -7.217 1.00 43.22 C ATOM 804 CG LYS A 49 0.866 -29.305 -6.735 1.00 30.32 C ATOM 805 CD LYS A 49 -0.270 -29.853 -5.887 1.00 53.45 C ATOM 806 CE LYS A 49 0.167 -31.076 -5.093 1.00 64.21 C ATOM 807 NZ LYS A 49 -0.905 -32.108 -5.030 1.00 62.40 N1+ ATOM 0 H LYS A 49 2.293 -26.200 -6.503 1.00 53.41 H new ATOM 0 HA LYS A 49 2.152 -28.152 -8.653 1.00 44.45 H new ATOM 0 HB2 LYS A 49 0.468 -27.240 -6.353 1.00 43.22 H new ATOM 0 HB3 LYS A 49 -0.387 -27.892 -7.737 1.00 43.22 H new ATOM 0 HG2 LYS A 49 1.029 -29.958 -7.593 1.00 30.32 H new ATOM 0 HG3 LYS A 49 1.788 -29.306 -6.154 1.00 30.32 H new ATOM 0 HD2 LYS A 49 -0.621 -29.080 -5.203 1.00 53.45 H new ATOM 0 HD3 LYS A 49 -1.111 -30.116 -6.529 1.00 53.45 H new ATOM 0 HE2 LYS A 49 1.059 -31.506 -5.549 1.00 64.21 H new ATOM 0 HE3 LYS A 49 0.440 -30.774 -4.082 1.00 64.21 H new ATOM 0 HZ1 LYS A 49 -0.569 -32.925 -4.481 1.00 62.40 H new ATOM 0 HZ2 LYS A 49 -1.747 -31.706 -4.572 1.00 62.40 H new ATOM 0 HZ3 LYS A 49 -1.148 -32.415 -5.993 1.00 62.40 H new ATOM 821 N ASN A 50 0.434 -25.319 -8.761 1.00 2.35 N ATOM 822 CA ASN A 50 -0.216 -24.381 -9.669 1.00 41.40 C ATOM 823 C ASN A 50 0.804 -23.433 -10.294 1.00 40.41 C ATOM 824 O ASN A 50 0.469 -22.633 -11.167 1.00 2.41 O ATOM 825 CB ASN A 50 -1.287 -23.579 -8.926 1.00 14.33 C ATOM 826 CG ASN A 50 -2.658 -24.218 -9.023 1.00 4.31 C ATOM 827 OD1 ASN A 50 -3.162 -24.469 -10.118 1.00 4.24 O ATOM 828 ND2 ASN A 50 -3.269 -24.485 -7.874 1.00 4.23 N ATOM 0 H ASN A 50 0.412 -25.040 -7.780 1.00 2.35 H new ATOM 0 HA ASN A 50 -0.689 -24.954 -10.467 1.00 41.40 H new ATOM 0 HB2 ASN A 50 -1.006 -23.487 -7.877 1.00 14.33 H new ATOM 0 HB3 ASN A 50 -1.330 -22.569 -9.335 1.00 14.33 H new ATOM 0 HD21 ASN A 50 -4.194 -24.915 -7.876 1.00 4.23 H new ATOM 0 HD22 ASN A 50 -2.813 -24.260 -6.990 1.00 4.23 H new ATOM 835 N VAL A 51 2.049 -23.529 -9.839 1.00 64.11 N ATOM 836 CA VAL A 51 3.119 -22.682 -10.353 1.00 54.52 C ATOM 837 C VAL A 51 2.928 -21.233 -9.920 1.00 42.10 C ATOM 838 O VAL A 51 3.019 -20.313 -10.733 1.00 10.33 O ATOM 839 CB VAL A 51 3.191 -22.742 -11.891 1.00 71.44 C ATOM 840 CG1 VAL A 51 4.476 -22.100 -12.390 1.00 71.12 C ATOM 841 CG2 VAL A 51 3.082 -24.180 -12.373 1.00 50.43 C ATOM 0 H VAL A 51 2.342 -24.185 -9.115 1.00 64.11 H new ATOM 0 HA VAL A 51 4.052 -23.062 -9.938 1.00 54.52 H new ATOM 0 HB VAL A 51 2.350 -22.181 -12.299 1.00 71.44 H new ATOM 0 HG11 VAL A 51 4.510 -22.152 -13.478 1.00 71.12 H new ATOM 0 HG12 VAL A 51 4.508 -21.057 -12.075 1.00 71.12 H new ATOM 0 HG13 VAL A 51 5.333 -22.631 -11.975 1.00 71.12 H new ATOM 0 HG21 VAL A 51 3.135 -24.204 -13.461 1.00 50.43 H new ATOM 0 HG22 VAL A 51 3.901 -24.766 -11.957 1.00 50.43 H new ATOM 0 HG23 VAL A 51 2.132 -24.602 -12.046 1.00 50.43 H new ATOM 851 N LYS A 52 2.663 -21.035 -8.633 1.00 54.43 N ATOM 852 CA LYS A 52 2.462 -19.698 -8.089 1.00 32.42 C ATOM 853 C LYS A 52 2.935 -19.622 -6.641 1.00 50.21 C ATOM 854 O LYS A 52 3.173 -20.647 -6.001 1.00 11.15 O ATOM 855 CB LYS A 52 0.985 -19.308 -8.175 1.00 21.22 C ATOM 856 CG LYS A 52 0.756 -17.904 -8.707 1.00 10.13 C ATOM 857 CD LYS A 52 -0.624 -17.759 -9.325 1.00 32.21 C ATOM 858 CE LYS A 52 -1.649 -17.299 -8.302 1.00 73.31 C ATOM 859 NZ LYS A 52 -2.146 -18.428 -7.467 1.00 35.03 N1+ ATOM 0 H LYS A 52 2.582 -21.785 -7.947 1.00 54.43 H new ATOM 0 HA LYS A 52 3.052 -18.999 -8.682 1.00 32.42 H new ATOM 0 HB2 LYS A 52 0.467 -20.020 -8.818 1.00 21.22 H new ATOM 0 HB3 LYS A 52 0.538 -19.389 -7.184 1.00 21.22 H new ATOM 0 HG2 LYS A 52 0.870 -17.184 -7.897 1.00 10.13 H new ATOM 0 HG3 LYS A 52 1.516 -17.668 -9.452 1.00 10.13 H new ATOM 0 HD2 LYS A 52 -0.582 -17.044 -10.146 1.00 32.21 H new ATOM 0 HD3 LYS A 52 -0.935 -18.713 -9.749 1.00 32.21 H new ATOM 0 HE2 LYS A 52 -1.204 -16.540 -7.658 1.00 73.31 H new ATOM 0 HE3 LYS A 52 -2.489 -16.830 -8.815 1.00 73.31 H new ATOM 0 HZ1 LYS A 52 -3.045 -18.159 -7.019 1.00 35.03 H new ATOM 0 HZ2 LYS A 52 -2.294 -19.264 -8.067 1.00 35.03 H new ATOM 0 HZ3 LYS A 52 -1.446 -18.650 -6.731 1.00 35.03 H new ATOM 873 N LEU A 53 3.069 -18.404 -6.130 1.00 61.23 N ATOM 874 CA LEU A 53 3.513 -18.194 -4.757 1.00 12.34 C ATOM 875 C LEU A 53 2.509 -17.345 -3.984 1.00 64.35 C ATOM 876 O LEU A 53 2.486 -16.121 -4.112 1.00 64.45 O ATOM 877 CB LEU A 53 4.887 -17.520 -4.741 1.00 22.14 C ATOM 878 CG LEU A 53 6.078 -18.431 -4.443 1.00 22.44 C ATOM 879 CD1 LEU A 53 6.678 -18.965 -5.734 1.00 71.22 C ATOM 880 CD2 LEU A 53 7.128 -17.687 -3.631 1.00 42.33 C ATOM 0 H LEU A 53 2.876 -17.546 -6.646 1.00 61.23 H new ATOM 0 HA LEU A 53 3.587 -19.168 -4.273 1.00 12.34 H new ATOM 0 HB2 LEU A 53 5.049 -17.048 -5.710 1.00 22.14 H new ATOM 0 HB3 LEU A 53 4.870 -16.723 -3.998 1.00 22.14 H new ATOM 0 HG LEU A 53 5.725 -19.278 -3.854 1.00 22.44 H new ATOM 0 HD11 LEU A 53 7.524 -19.611 -5.502 1.00 71.22 H new ATOM 0 HD12 LEU A 53 5.924 -19.535 -6.277 1.00 71.22 H new ATOM 0 HD13 LEU A 53 7.016 -18.132 -6.350 1.00 71.22 H new ATOM 0 HD21 LEU A 53 7.969 -18.351 -3.428 1.00 42.33 H new ATOM 0 HD22 LEU A 53 7.477 -16.821 -4.194 1.00 42.33 H new ATOM 0 HD23 LEU A 53 6.692 -17.356 -2.689 1.00 42.33 H new ATOM 892 N VAL A 54 1.682 -18.004 -3.178 1.00 5.45 N ATOM 893 CA VAL A 54 0.677 -17.310 -2.381 1.00 41.23 C ATOM 894 C VAL A 54 1.167 -17.084 -0.955 1.00 45.12 C ATOM 895 O VAL A 54 2.258 -17.521 -0.587 1.00 72.40 O ATOM 896 CB VAL A 54 -0.647 -18.096 -2.338 1.00 72.04 C ATOM 897 CG1 VAL A 54 -1.048 -18.541 -3.737 1.00 71.10 C ATOM 898 CG2 VAL A 54 -0.527 -19.291 -1.404 1.00 11.01 C ATOM 0 H VAL A 54 1.688 -19.017 -3.060 1.00 5.45 H new ATOM 0 HA VAL A 54 0.503 -16.346 -2.860 1.00 41.23 H new ATOM 0 HB VAL A 54 -1.427 -17.440 -1.953 1.00 72.04 H new ATOM 0 HG11 VAL A 54 -1.986 -19.095 -3.688 1.00 71.10 H new ATOM 0 HG12 VAL A 54 -1.176 -17.666 -4.374 1.00 71.10 H new ATOM 0 HG13 VAL A 54 -0.270 -19.181 -4.152 1.00 71.10 H new ATOM 0 HG21 VAL A 54 -1.471 -19.835 -1.386 1.00 11.01 H new ATOM 0 HG22 VAL A 54 0.265 -19.951 -1.758 1.00 11.01 H new ATOM 0 HG23 VAL A 54 -0.288 -18.944 -0.398 1.00 11.01 H new ATOM 908 N GLU A 55 0.353 -16.401 -0.156 1.00 21.23 N ATOM 909 CA GLU A 55 0.705 -16.117 1.229 1.00 34.21 C ATOM 910 C GLU A 55 -0.170 -16.920 2.188 1.00 31.12 C ATOM 911 O GLU A 55 -1.381 -16.710 2.264 1.00 24.40 O ATOM 912 CB GLU A 55 0.561 -14.622 1.520 1.00 60.31 C ATOM 913 CG GLU A 55 -0.841 -14.087 1.274 1.00 21.34 C ATOM 914 CD GLU A 55 -0.835 -12.722 0.613 1.00 40.15 C ATOM 915 OE1 GLU A 55 -0.714 -11.712 1.336 1.00 73.52 O1- ATOM 916 OE2 GLU A 55 -0.953 -12.666 -0.630 1.00 15.53 O ATOM 0 H GLU A 55 -0.554 -16.035 -0.445 1.00 21.23 H new ATOM 0 HA GLU A 55 1.744 -16.410 1.380 1.00 34.21 H new ATOM 0 HB2 GLU A 55 0.836 -14.434 2.558 1.00 60.31 H new ATOM 0 HB3 GLU A 55 1.266 -14.070 0.899 1.00 60.31 H new ATOM 0 HG2 GLU A 55 -1.389 -14.789 0.645 1.00 21.34 H new ATOM 0 HG3 GLU A 55 -1.374 -14.025 2.223 1.00 21.34 H new ATOM 923 N SER A 56 0.453 -17.839 2.919 1.00 73.41 N ATOM 924 CA SER A 56 -0.270 -18.677 3.870 1.00 43.24 C ATOM 925 C SER A 56 0.699 -19.418 4.786 1.00 1.33 C ATOM 926 O SER A 56 1.903 -19.458 4.532 1.00 11.10 O ATOM 927 CB SER A 56 -1.156 -19.678 3.129 1.00 44.34 C ATOM 928 OG SER A 56 -2.503 -19.238 3.091 1.00 12.25 O ATOM 0 H SER A 56 1.455 -18.022 2.871 1.00 73.41 H new ATOM 0 HA SER A 56 -0.899 -18.030 4.482 1.00 43.24 H new ATOM 0 HB2 SER A 56 -0.786 -19.813 2.113 1.00 44.34 H new ATOM 0 HB3 SER A 56 -1.101 -20.650 3.620 1.00 44.34 H new ATOM 0 HG SER A 56 -2.532 -18.298 2.816 1.00 12.25 H new ATOM 934 N ASP A 57 0.165 -20.004 5.852 1.00 31.32 N ATOM 935 CA ASP A 57 0.981 -20.746 6.806 1.00 71.22 C ATOM 936 C ASP A 57 0.445 -22.162 6.995 1.00 51.13 C ATOM 937 O ASP A 57 -0.681 -22.353 7.454 1.00 50.20 O ATOM 938 CB ASP A 57 1.020 -20.018 8.150 1.00 63.23 C ATOM 939 CG ASP A 57 2.068 -20.587 9.086 1.00 3.54 C ATOM 940 OD1 ASP A 57 3.234 -20.724 8.659 1.00 34.13 O ATOM 941 OD2 ASP A 57 1.723 -20.893 10.246 1.00 2.01 O1- ATOM 0 H ASP A 57 -0.830 -19.980 6.077 1.00 31.32 H new ATOM 0 HA ASP A 57 1.993 -20.811 6.407 1.00 71.22 H new ATOM 0 HB2 ASP A 57 1.223 -18.960 7.981 1.00 63.23 H new ATOM 0 HB3 ASP A 57 0.040 -20.083 8.624 1.00 63.23 H new ATOM 946 N ASP A 58 1.258 -23.150 6.637 1.00 42.15 N ATOM 947 CA ASP A 58 0.865 -24.548 6.768 1.00 13.22 C ATOM 948 C ASP A 58 2.084 -25.434 7.009 1.00 50.02 C ATOM 949 O ASP A 58 3.219 -25.024 6.770 1.00 32.03 O ATOM 950 CB ASP A 58 0.123 -25.010 5.513 1.00 32.33 C ATOM 951 CG ASP A 58 -0.665 -23.891 4.860 1.00 34.24 C ATOM 952 OD1 ASP A 58 -0.061 -23.100 4.105 1.00 62.33 O ATOM 953 OD2 ASP A 58 -1.887 -23.807 5.105 1.00 21.22 O1- ATOM 0 H ASP A 58 2.193 -23.009 6.254 1.00 42.15 H new ATOM 0 HA ASP A 58 0.199 -24.635 7.627 1.00 13.22 H new ATOM 0 HB2 ASP A 58 0.841 -25.410 4.797 1.00 32.33 H new ATOM 0 HB3 ASP A 58 -0.555 -25.823 5.774 1.00 32.33 H new ATOM 958 N ALA A 59 1.839 -26.650 7.484 1.00 54.42 N ATOM 959 CA ALA A 59 2.915 -27.594 7.757 1.00 64.04 C ATOM 960 C ALA A 59 3.507 -28.141 6.463 1.00 23.53 C ATOM 961 O ALA A 59 3.025 -29.133 5.919 1.00 64.14 O ATOM 962 CB ALA A 59 2.410 -28.733 8.631 1.00 20.01 C ATOM 0 H ALA A 59 0.905 -27.005 7.688 1.00 54.42 H new ATOM 0 HA ALA A 59 3.703 -27.063 8.291 1.00 64.04 H new ATOM 0 HB1 ALA A 59 3.225 -29.430 8.827 1.00 20.01 H new ATOM 0 HB2 ALA A 59 2.042 -28.331 9.575 1.00 20.01 H new ATOM 0 HB3 ALA A 59 1.602 -29.254 8.118 1.00 20.01 H new ATOM 968 N ALA A 60 4.555 -27.486 5.974 1.00 25.42 N ATOM 969 CA ALA A 60 5.213 -27.907 4.743 1.00 52.24 C ATOM 970 C ALA A 60 6.370 -28.858 5.037 1.00 52.10 C ATOM 971 O ALA A 60 6.890 -28.890 6.152 1.00 32.51 O ATOM 972 CB ALA A 60 5.709 -26.696 3.968 1.00 60.25 C ATOM 0 H ALA A 60 4.967 -26.662 6.412 1.00 25.42 H new ATOM 0 HA ALA A 60 4.483 -28.440 4.134 1.00 52.24 H new ATOM 0 HB1 ALA A 60 6.198 -27.026 3.051 1.00 60.25 H new ATOM 0 HB2 ALA A 60 4.865 -26.053 3.718 1.00 60.25 H new ATOM 0 HB3 ALA A 60 6.420 -26.140 4.579 1.00 60.25 H new ATOM 978 N GLU A 61 6.764 -29.632 4.030 1.00 12.15 N ATOM 979 CA GLU A 61 7.858 -30.584 4.183 1.00 60.24 C ATOM 980 C GLU A 61 9.171 -29.863 4.470 1.00 60.45 C ATOM 981 O GLU A 61 10.097 -30.440 5.039 1.00 34.32 O ATOM 982 CB GLU A 61 7.996 -31.440 2.923 1.00 40.01 C ATOM 983 CG GLU A 61 8.025 -32.934 3.202 1.00 60.43 C ATOM 984 CD GLU A 61 9.390 -33.547 2.958 1.00 63.55 C ATOM 985 OE1 GLU A 61 9.990 -33.260 1.900 1.00 4.32 O1- ATOM 986 OE2 GLU A 61 9.859 -34.313 3.826 1.00 10.35 O ATOM 0 H GLU A 61 6.343 -29.618 3.101 1.00 12.15 H new ATOM 0 HA GLU A 61 7.628 -31.231 5.030 1.00 60.24 H new ATOM 0 HB2 GLU A 61 7.166 -31.220 2.252 1.00 40.01 H new ATOM 0 HB3 GLU A 61 8.911 -31.159 2.401 1.00 40.01 H new ATOM 0 HG2 GLU A 61 7.730 -33.112 4.236 1.00 60.43 H new ATOM 0 HG3 GLU A 61 7.289 -33.432 2.571 1.00 60.43 H new ATOM 993 N ALA A 62 9.244 -28.597 4.070 1.00 4.02 N ATOM 994 CA ALA A 62 10.443 -27.796 4.284 1.00 60.23 C ATOM 995 C ALA A 62 10.086 -26.377 4.711 1.00 52.32 C ATOM 996 O ALA A 62 9.352 -25.674 4.016 1.00 12.21 O ATOM 997 CB ALA A 62 11.293 -27.772 3.022 1.00 14.02 C ATOM 0 H ALA A 62 8.487 -28.105 3.596 1.00 4.02 H new ATOM 0 HA ALA A 62 11.018 -28.255 5.088 1.00 60.23 H new ATOM 0 HB1 ALA A 62 12.185 -27.170 3.196 1.00 14.02 H new ATOM 0 HB2 ALA A 62 11.586 -28.789 2.761 1.00 14.02 H new ATOM 0 HB3 ALA A 62 10.717 -27.339 2.204 1.00 14.02 H new ATOM 1003 N THR A 63 10.608 -25.961 5.861 1.00 64.23 N ATOM 1004 CA THR A 63 10.343 -24.626 6.381 1.00 11.41 C ATOM 1005 C THR A 63 11.524 -23.694 6.135 1.00 73.24 C ATOM 1006 O THR A 63 12.658 -24.001 6.507 1.00 53.04 O ATOM 1007 CB THR A 63 10.038 -24.662 7.891 1.00 31.34 C ATOM 1008 OG1 THR A 63 8.846 -25.417 8.133 1.00 62.11 O ATOM 1009 CG2 THR A 63 9.875 -23.255 8.444 1.00 45.10 C ATOM 0 H THR A 63 11.217 -26.530 6.450 1.00 64.23 H new ATOM 0 HA THR A 63 9.470 -24.248 5.850 1.00 11.41 H new ATOM 0 HB THR A 63 10.877 -25.139 8.397 1.00 31.34 H new ATOM 0 HG1 THR A 63 8.661 -25.436 9.095 1.00 62.11 H new ATOM 0 HG21 THR A 63 9.660 -23.306 9.511 1.00 45.10 H new ATOM 0 HG22 THR A 63 10.795 -22.693 8.286 1.00 45.10 H new ATOM 0 HG23 THR A 63 9.052 -22.756 7.932 1.00 45.10 H new ATOM 1017 N LEU A 64 11.252 -22.556 5.507 1.00 31.21 N ATOM 1018 CA LEU A 64 12.294 -21.578 5.211 1.00 23.22 C ATOM 1019 C LEU A 64 11.963 -20.225 5.833 1.00 10.31 C ATOM 1020 O LEU A 64 11.100 -19.497 5.342 1.00 34.35 O ATOM 1021 CB LEU A 64 12.465 -21.428 3.699 1.00 42.20 C ATOM 1022 CG LEU A 64 13.179 -22.578 2.987 1.00 33.54 C ATOM 1023 CD1 LEU A 64 12.252 -23.238 1.978 1.00 24.14 C ATOM 1024 CD2 LEU A 64 14.445 -22.079 2.305 1.00 33.52 C ATOM 0 H LEU A 64 10.320 -22.287 5.193 1.00 31.21 H new ATOM 0 HA LEU A 64 13.228 -21.937 5.642 1.00 23.22 H new ATOM 0 HB2 LEU A 64 11.478 -21.307 3.252 1.00 42.20 H new ATOM 0 HB3 LEU A 64 13.017 -20.508 3.505 1.00 42.20 H new ATOM 0 HG LEU A 64 13.461 -23.322 3.732 1.00 33.54 H new ATOM 0 HD11 LEU A 64 12.777 -24.054 1.481 1.00 24.14 H new ATOM 0 HD12 LEU A 64 11.375 -23.631 2.492 1.00 24.14 H new ATOM 0 HD13 LEU A 64 11.939 -22.503 1.236 1.00 24.14 H new ATOM 0 HD21 LEU A 64 14.940 -22.911 1.804 1.00 33.52 H new ATOM 0 HD22 LEU A 64 14.186 -21.315 1.572 1.00 33.52 H new ATOM 0 HD23 LEU A 64 15.116 -21.653 3.051 1.00 33.52 H new ATOM 1036 N THR A 65 12.657 -19.892 6.918 1.00 71.33 N ATOM 1037 CA THR A 65 12.438 -18.627 7.607 1.00 73.12 C ATOM 1038 C THR A 65 13.498 -17.601 7.222 1.00 14.11 C ATOM 1039 O THR A 65 14.696 -17.869 7.309 1.00 44.01 O ATOM 1040 CB THR A 65 12.449 -18.811 9.137 1.00 74.44 C ATOM 1041 OG1 THR A 65 12.007 -20.131 9.474 1.00 70.01 O ATOM 1042 CG2 THR A 65 11.554 -17.782 9.811 1.00 42.34 C ATOM 0 H THR A 65 13.376 -20.482 7.338 1.00 71.33 H new ATOM 0 HA THR A 65 11.457 -18.265 7.299 1.00 73.12 H new ATOM 0 HB THR A 65 13.470 -18.669 9.492 1.00 74.44 H new ATOM 0 HG1 THR A 65 12.783 -20.723 9.563 1.00 70.01 H new ATOM 0 HG21 THR A 65 11.577 -17.931 10.891 1.00 42.34 H new ATOM 0 HG22 THR A 65 11.911 -16.779 9.575 1.00 42.34 H new ATOM 0 HG23 THR A 65 10.532 -17.897 9.451 1.00 42.34 H new ATOM 1050 N MET A 66 13.049 -16.425 6.796 1.00 44.23 N ATOM 1051 CA MET A 66 13.961 -15.357 6.401 1.00 35.33 C ATOM 1052 C MET A 66 13.306 -13.991 6.576 1.00 74.32 C ATOM 1053 O MET A 66 12.117 -13.823 6.310 1.00 1.23 O ATOM 1054 CB MET A 66 14.397 -15.544 4.946 1.00 73.33 C ATOM 1055 CG MET A 66 15.400 -16.668 4.751 1.00 31.14 C ATOM 1056 SD MET A 66 14.630 -18.197 4.185 1.00 74.11 S ATOM 1057 CE MET A 66 16.032 -19.311 4.204 1.00 64.32 C ATOM 0 H MET A 66 12.060 -16.187 6.715 1.00 44.23 H new ATOM 0 HA MET A 66 14.839 -15.404 7.046 1.00 35.33 H new ATOM 0 HB2 MET A 66 13.517 -15.744 4.335 1.00 73.33 H new ATOM 0 HB3 MET A 66 14.832 -14.613 4.583 1.00 73.33 H new ATOM 0 HG2 MET A 66 16.153 -16.356 4.028 1.00 31.14 H new ATOM 0 HG3 MET A 66 15.919 -16.854 5.691 1.00 31.14 H new ATOM 0 HE1 MET A 66 16.323 -19.547 3.180 1.00 64.32 H new ATOM 0 HE2 MET A 66 16.867 -18.836 4.718 1.00 64.32 H new ATOM 0 HE3 MET A 66 15.760 -20.229 4.725 1.00 64.32 H new ATOM 1067 N GLU A 67 14.092 -13.018 7.027 1.00 74.44 N ATOM 1068 CA GLU A 67 13.586 -11.666 7.240 1.00 65.21 C ATOM 1069 C GLU A 67 13.444 -10.924 5.914 1.00 21.25 C ATOM 1070 O GLU A 67 14.115 -11.248 4.933 1.00 71.54 O ATOM 1071 CB GLU A 67 14.519 -10.890 8.173 1.00 61.44 C ATOM 1072 CG GLU A 67 14.520 -11.408 9.601 1.00 20.41 C ATOM 1073 CD GLU A 67 14.053 -10.368 10.600 1.00 50.14 C ATOM 1074 OE1 GLU A 67 13.170 -9.559 10.244 1.00 70.53 O ATOM 1075 OE2 GLU A 67 14.568 -10.362 11.737 1.00 14.41 O1- ATOM 0 H GLU A 67 15.079 -13.140 7.252 1.00 74.44 H new ATOM 0 HA GLU A 67 12.602 -11.742 7.702 1.00 65.21 H new ATOM 0 HB2 GLU A 67 15.534 -10.936 7.778 1.00 61.44 H new ATOM 0 HB3 GLU A 67 14.225 -9.840 8.176 1.00 61.44 H new ATOM 0 HG2 GLU A 67 13.875 -12.284 9.666 1.00 20.41 H new ATOM 0 HG3 GLU A 67 15.526 -11.733 9.865 1.00 20.41 H new ATOM 1082 N ASP A 68 12.565 -9.929 5.892 1.00 21.12 N ATOM 1083 CA ASP A 68 12.332 -9.140 4.687 1.00 71.10 C ATOM 1084 C ASP A 68 13.653 -8.688 4.071 1.00 24.42 C ATOM 1085 O ASP A 68 13.905 -8.909 2.887 1.00 74.24 O ATOM 1086 CB ASP A 68 11.463 -7.924 5.008 1.00 64.02 C ATOM 1087 CG ASP A 68 10.259 -7.815 4.093 1.00 31.40 C ATOM 1088 OD1 ASP A 68 9.596 -8.847 3.859 1.00 12.13 O ATOM 1089 OD2 ASP A 68 9.980 -6.697 3.610 1.00 75.34 O1- ATOM 0 H ASP A 68 12.001 -9.649 6.695 1.00 21.12 H new ATOM 0 HA ASP A 68 11.811 -9.769 3.965 1.00 71.10 H new ATOM 0 HB2 ASP A 68 11.125 -7.985 6.042 1.00 64.02 H new ATOM 0 HB3 ASP A 68 12.064 -7.019 4.922 1.00 64.02 H new ATOM 1094 N ASP A 69 14.492 -8.052 4.883 1.00 45.41 N ATOM 1095 CA ASP A 69 15.786 -7.567 4.418 1.00 14.54 C ATOM 1096 C ASP A 69 16.551 -8.672 3.695 1.00 22.43 C ATOM 1097 O ASP A 69 17.284 -8.410 2.741 1.00 53.21 O ATOM 1098 CB ASP A 69 16.612 -7.045 5.595 1.00 1.15 C ATOM 1099 CG ASP A 69 17.512 -8.110 6.189 1.00 54.42 C ATOM 1100 OD1 ASP A 69 18.603 -8.342 5.630 1.00 30.41 O1- ATOM 1101 OD2 ASP A 69 17.124 -8.711 7.213 1.00 74.02 O ATOM 0 H ASP A 69 14.298 -7.861 5.866 1.00 45.41 H new ATOM 0 HA ASP A 69 15.611 -6.751 3.717 1.00 14.54 H new ATOM 0 HB2 ASP A 69 17.220 -6.203 5.263 1.00 1.15 H new ATOM 0 HB3 ASP A 69 15.941 -6.669 6.367 1.00 1.15 H new ATOM 1106 N ILE A 70 16.376 -9.906 4.155 1.00 1.14 N ATOM 1107 CA ILE A 70 17.050 -11.049 3.553 1.00 43.35 C ATOM 1108 C ILE A 70 16.363 -11.472 2.258 1.00 31.44 C ATOM 1109 O ILE A 70 16.972 -12.110 1.401 1.00 24.31 O ATOM 1110 CB ILE A 70 17.091 -12.251 4.516 1.00 13.31 C ATOM 1111 CG1 ILE A 70 18.137 -12.021 5.608 1.00 2.20 C ATOM 1112 CG2 ILE A 70 17.388 -13.532 3.751 1.00 11.14 C ATOM 1113 CD1 ILE A 70 19.554 -11.953 5.084 1.00 73.31 C ATOM 0 H ILE A 70 15.773 -10.140 4.943 1.00 1.14 H new ATOM 0 HA ILE A 70 18.071 -10.735 3.335 1.00 43.35 H new ATOM 0 HB ILE A 70 16.115 -12.352 4.990 1.00 13.31 H new ATOM 0 HG12 ILE A 70 17.907 -11.092 6.130 1.00 2.20 H new ATOM 0 HG13 ILE A 70 18.068 -12.825 6.341 1.00 2.20 H new ATOM 0 HG21 ILE A 70 17.414 -14.372 4.445 1.00 11.14 H new ATOM 0 HG22 ILE A 70 16.610 -13.700 3.006 1.00 11.14 H new ATOM 0 HG23 ILE A 70 18.353 -13.443 3.253 1.00 11.14 H new ATOM 0 HD11 ILE A 70 20.241 -11.788 5.914 1.00 73.31 H new ATOM 0 HD12 ILE A 70 19.803 -12.890 4.587 1.00 73.31 H new ATOM 0 HD13 ILE A 70 19.640 -11.131 4.373 1.00 73.31 H new ATOM 1125 N MET A 71 15.091 -11.111 2.125 1.00 71.51 N ATOM 1126 CA MET A 71 14.322 -11.451 0.933 1.00 43.30 C ATOM 1127 C MET A 71 14.914 -10.785 -0.304 1.00 65.43 C ATOM 1128 O MET A 71 15.167 -11.442 -1.314 1.00 75.00 O ATOM 1129 CB MET A 71 12.861 -11.028 1.105 1.00 72.31 C ATOM 1130 CG MET A 71 11.866 -12.105 0.704 1.00 1.33 C ATOM 1131 SD MET A 71 12.074 -13.628 1.645 1.00 74.13 S ATOM 1132 CE MET A 71 12.267 -12.978 3.303 1.00 31.24 C ATOM 0 H MET A 71 14.571 -10.584 2.827 1.00 71.51 H new ATOM 0 HA MET A 71 14.367 -12.532 0.798 1.00 43.30 H new ATOM 0 HB2 MET A 71 12.690 -10.756 2.147 1.00 72.31 H new ATOM 0 HB3 MET A 71 12.677 -10.135 0.508 1.00 72.31 H new ATOM 0 HG2 MET A 71 10.853 -11.730 0.847 1.00 1.33 H new ATOM 0 HG3 MET A 71 11.979 -12.321 -0.358 1.00 1.33 H new ATOM 0 HE1 MET A 71 11.852 -13.685 4.021 1.00 31.24 H new ATOM 0 HE2 MET A 71 13.326 -12.826 3.513 1.00 31.24 H new ATOM 0 HE3 MET A 71 11.741 -12.027 3.384 1.00 31.24 H new ATOM 1142 N PHE A 72 15.133 -9.477 -0.220 1.00 41.54 N ATOM 1143 CA PHE A 72 15.695 -8.721 -1.333 1.00 22.30 C ATOM 1144 C PHE A 72 17.172 -9.054 -1.526 1.00 43.01 C ATOM 1145 O PHE A 72 17.695 -8.982 -2.637 1.00 63.32 O ATOM 1146 CB PHE A 72 15.525 -7.220 -1.096 1.00 44.00 C ATOM 1147 CG PHE A 72 16.540 -6.643 -0.151 1.00 52.50 C ATOM 1148 CD1 PHE A 72 17.858 -6.476 -0.548 1.00 61.23 C ATOM 1149 CD2 PHE A 72 16.178 -6.269 1.133 1.00 2.12 C ATOM 1150 CE1 PHE A 72 18.795 -5.946 0.321 1.00 44.43 C ATOM 1151 CE2 PHE A 72 17.110 -5.739 2.004 1.00 51.42 C ATOM 1152 CZ PHE A 72 18.420 -5.576 1.598 1.00 61.11 C ATOM 0 H PHE A 72 14.929 -8.918 0.609 1.00 41.54 H new ATOM 0 HA PHE A 72 15.156 -9.001 -2.238 1.00 22.30 H new ATOM 0 HB2 PHE A 72 15.593 -6.700 -2.051 1.00 44.00 H new ATOM 0 HB3 PHE A 72 14.526 -7.033 -0.702 1.00 44.00 H new ATOM 0 HD1 PHE A 72 18.156 -6.763 -1.546 1.00 61.23 H new ATOM 0 HD2 PHE A 72 15.155 -6.393 1.457 1.00 2.12 H new ATOM 0 HE1 PHE A 72 19.819 -5.822 0.001 1.00 44.43 H new ATOM 0 HE2 PHE A 72 16.814 -5.452 3.002 1.00 51.42 H new ATOM 0 HZ PHE A 72 19.149 -5.160 2.277 1.00 61.11 H new ATOM 1162 N ALA A 73 17.838 -9.417 -0.434 1.00 72.11 N ATOM 1163 CA ALA A 73 19.254 -9.761 -0.482 1.00 15.10 C ATOM 1164 C ALA A 73 19.469 -11.100 -1.181 1.00 3.03 C ATOM 1165 O ALA A 73 20.160 -11.176 -2.197 1.00 20.54 O ATOM 1166 CB ALA A 73 19.836 -9.797 0.923 1.00 40.23 C ATOM 0 H ALA A 73 17.420 -9.480 0.494 1.00 72.11 H new ATOM 0 HA ALA A 73 19.771 -8.993 -1.057 1.00 15.10 H new ATOM 0 HB1 ALA A 73 20.894 -10.055 0.872 1.00 40.23 H new ATOM 0 HB2 ALA A 73 19.723 -8.818 1.389 1.00 40.23 H new ATOM 0 HB3 ALA A 73 19.308 -10.544 1.516 1.00 40.23 H new ATOM 1172 N ILE A 74 18.875 -12.153 -0.628 1.00 62.02 N ATOM 1173 CA ILE A 74 19.002 -13.488 -1.199 1.00 2.11 C ATOM 1174 C ILE A 74 18.235 -13.601 -2.511 1.00 5.14 C ATOM 1175 O ILE A 74 18.729 -14.166 -3.485 1.00 43.34 O ATOM 1176 CB ILE A 74 18.495 -14.567 -0.224 1.00 11.55 C ATOM 1177 CG1 ILE A 74 19.393 -14.632 1.012 1.00 44.31 C ATOM 1178 CG2 ILE A 74 18.439 -15.921 -0.917 1.00 21.22 C ATOM 1179 CD1 ILE A 74 18.971 -15.688 2.010 1.00 30.22 C ATOM 0 H ILE A 74 18.302 -12.107 0.214 1.00 62.02 H new ATOM 0 HA ILE A 74 20.063 -13.651 -1.388 1.00 2.11 H new ATOM 0 HB ILE A 74 17.488 -14.302 0.097 1.00 11.55 H new ATOM 0 HG12 ILE A 74 20.418 -14.830 0.697 1.00 44.31 H new ATOM 0 HG13 ILE A 74 19.393 -13.659 1.503 1.00 44.31 H new ATOM 0 HG21 ILE A 74 18.079 -16.674 -0.216 1.00 21.22 H new ATOM 0 HG22 ILE A 74 17.762 -15.866 -1.769 1.00 21.22 H new ATOM 0 HG23 ILE A 74 19.436 -16.194 -1.263 1.00 21.22 H new ATOM 0 HD11 ILE A 74 19.652 -15.678 2.861 1.00 30.22 H new ATOM 0 HD12 ILE A 74 17.958 -15.480 2.354 1.00 30.22 H new ATOM 0 HD13 ILE A 74 18.998 -16.669 1.535 1.00 30.22 H new ATOM 1191 N GLY A 75 17.021 -13.056 -2.529 1.00 3.13 N ATOM 1192 CA GLY A 75 16.204 -13.105 -3.727 1.00 32.31 C ATOM 1193 C GLY A 75 16.928 -12.569 -4.946 1.00 1.25 C ATOM 1194 O GLY A 75 16.779 -13.096 -6.049 1.00 54.01 O ATOM 0 H GLY A 75 16.590 -12.582 -1.735 1.00 3.13 H new ATOM 0 HA2 GLY A 75 15.899 -14.135 -3.913 1.00 32.31 H new ATOM 0 HA3 GLY A 75 15.294 -12.527 -3.566 1.00 32.31 H new ATOM 1198 N THR A 76 17.715 -11.515 -4.748 1.00 53.52 N ATOM 1199 CA THR A 76 18.464 -10.905 -5.840 1.00 44.22 C ATOM 1200 C THR A 76 19.871 -11.484 -5.933 1.00 51.23 C ATOM 1201 O THR A 76 20.692 -11.021 -6.723 1.00 5.23 O ATOM 1202 CB THR A 76 18.560 -9.377 -5.669 1.00 62.11 C ATOM 1203 OG1 THR A 76 19.399 -9.060 -4.554 1.00 43.24 O ATOM 1204 CG2 THR A 76 17.181 -8.767 -5.463 1.00 74.33 C ATOM 0 H THR A 76 17.850 -11.067 -3.842 1.00 53.52 H new ATOM 0 HA THR A 76 17.922 -11.128 -6.759 1.00 44.22 H new ATOM 0 HB THR A 76 18.992 -8.959 -6.578 1.00 62.11 H new ATOM 0 HG1 THR A 76 18.931 -9.277 -3.721 1.00 43.24 H new ATOM 0 HG21 THR A 76 17.275 -7.687 -5.345 1.00 74.33 H new ATOM 0 HG22 THR A 76 16.554 -8.984 -6.328 1.00 74.33 H new ATOM 0 HG23 THR A 76 16.725 -9.192 -4.569 1.00 74.33 H new ATOM 1212 N GLY A 77 20.143 -12.500 -5.120 1.00 1.41 N ATOM 1213 CA GLY A 77 21.452 -13.126 -5.127 1.00 40.44 C ATOM 1214 C GLY A 77 22.563 -12.151 -4.794 1.00 21.42 C ATOM 1215 O GLY A 77 23.701 -12.322 -5.231 1.00 72.34 O ATOM 0 H GLY A 77 19.480 -12.901 -4.457 1.00 1.41 H new ATOM 0 HA2 GLY A 77 21.464 -13.945 -4.407 1.00 40.44 H new ATOM 0 HA3 GLY A 77 21.638 -13.562 -6.109 1.00 40.44 H new ATOM 1219 N ALA A 78 22.234 -11.123 -4.019 1.00 14.03 N ATOM 1220 CA ALA A 78 23.212 -10.116 -3.628 1.00 4.53 C ATOM 1221 C ALA A 78 24.183 -10.668 -2.589 1.00 51.42 C ATOM 1222 O ALA A 78 25.382 -10.392 -2.637 1.00 12.13 O ATOM 1223 CB ALA A 78 22.509 -8.878 -3.089 1.00 15.31 C ATOM 0 H ALA A 78 21.296 -10.966 -3.649 1.00 14.03 H new ATOM 0 HA ALA A 78 23.785 -9.839 -4.513 1.00 4.53 H new ATOM 0 HB1 ALA A 78 23.252 -8.134 -2.801 1.00 15.31 H new ATOM 0 HB2 ALA A 78 21.860 -8.463 -3.860 1.00 15.31 H new ATOM 0 HB3 ALA A 78 21.911 -9.149 -2.219 1.00 15.31 H new ATOM 1229 N LEU A 79 23.658 -11.450 -1.653 1.00 34.13 N ATOM 1230 CA LEU A 79 24.480 -12.042 -0.602 1.00 54.32 C ATOM 1231 C LEU A 79 24.393 -13.564 -0.635 1.00 62.35 C ATOM 1232 O LEU A 79 23.404 -14.144 -1.085 1.00 75.14 O ATOM 1233 CB LEU A 79 24.039 -11.524 0.768 1.00 45.25 C ATOM 1234 CG LEU A 79 24.380 -10.065 1.076 1.00 22.42 C ATOM 1235 CD1 LEU A 79 23.582 -9.571 2.272 1.00 41.33 C ATOM 1236 CD2 LEU A 79 25.873 -9.908 1.327 1.00 23.31 C ATOM 0 H LEU A 79 22.668 -11.689 -1.600 1.00 34.13 H new ATOM 0 HA LEU A 79 25.516 -11.752 -0.778 1.00 54.32 H new ATOM 0 HB2 LEU A 79 22.959 -11.649 0.851 1.00 45.25 H new ATOM 0 HB3 LEU A 79 24.493 -12.152 1.535 1.00 45.25 H new ATOM 0 HG LEU A 79 24.111 -9.459 0.211 1.00 22.42 H new ATOM 0 HD11 LEU A 79 23.838 -8.531 2.476 1.00 41.33 H new ATOM 0 HD12 LEU A 79 22.517 -9.646 2.055 1.00 41.33 H new ATOM 0 HD13 LEU A 79 23.818 -10.181 3.144 1.00 41.33 H new ATOM 0 HD21 LEU A 79 26.098 -8.864 1.544 1.00 23.31 H new ATOM 0 HD22 LEU A 79 26.166 -10.527 2.175 1.00 23.31 H new ATOM 0 HD23 LEU A 79 26.426 -10.221 0.441 1.00 23.31 H new ATOM 1248 N PRO A 80 25.449 -14.229 -0.145 1.00 14.00 N ATOM 1249 CA PRO A 80 25.515 -15.693 -0.105 1.00 41.14 C ATOM 1250 C PRO A 80 24.546 -16.288 0.910 1.00 21.40 C ATOM 1251 O PRO A 80 24.561 -15.923 2.086 1.00 0.41 O ATOM 1252 CB PRO A 80 26.962 -15.971 0.309 1.00 72.45 C ATOM 1253 CG PRO A 80 27.385 -14.752 1.053 1.00 25.51 C ATOM 1254 CD PRO A 80 26.662 -13.602 0.408 1.00 63.44 C ATOM 0 HA PRO A 80 25.237 -16.141 -1.059 1.00 41.14 H new ATOM 0 HB2 PRO A 80 27.030 -16.860 0.935 1.00 72.45 H new ATOM 0 HB3 PRO A 80 27.596 -16.144 -0.561 1.00 72.45 H new ATOM 0 HG2 PRO A 80 27.129 -14.831 2.109 1.00 25.51 H new ATOM 0 HG3 PRO A 80 28.465 -14.615 0.996 1.00 25.51 H new ATOM 0 HD2 PRO A 80 26.418 -12.824 1.131 1.00 63.44 H new ATOM 0 HD3 PRO A 80 27.264 -13.135 -0.371 1.00 63.44 H new ATOM 1262 N ALA A 81 23.705 -17.209 0.449 1.00 32.45 N ATOM 1263 CA ALA A 81 22.731 -17.856 1.319 1.00 0.14 C ATOM 1264 C ALA A 81 23.422 -18.672 2.405 1.00 23.15 C ATOM 1265 O ALA A 81 22.885 -18.850 3.499 1.00 35.22 O ATOM 1266 CB ALA A 81 21.802 -18.742 0.501 1.00 1.12 C ATOM 0 H ALA A 81 23.679 -17.523 -0.521 1.00 32.45 H new ATOM 0 HA ALA A 81 22.141 -17.079 1.805 1.00 0.14 H new ATOM 0 HB1 ALA A 81 21.079 -19.220 1.162 1.00 1.12 H new ATOM 0 HB2 ALA A 81 21.275 -18.135 -0.235 1.00 1.12 H new ATOM 0 HB3 ALA A 81 22.386 -19.507 -0.011 1.00 1.12 H new ATOM 1272 N LYS A 82 24.617 -19.168 2.097 1.00 52.31 N ATOM 1273 CA LYS A 82 25.382 -19.965 3.048 1.00 64.02 C ATOM 1274 C LYS A 82 25.916 -19.095 4.181 1.00 31.13 C ATOM 1275 O LYS A 82 25.656 -19.361 5.354 1.00 60.00 O ATOM 1276 CB LYS A 82 26.543 -20.666 2.338 1.00 15.40 C ATOM 1277 CG LYS A 82 26.676 -22.136 2.696 1.00 55.43 C ATOM 1278 CD LYS A 82 28.108 -22.620 2.541 1.00 25.31 C ATOM 1279 CE LYS A 82 28.635 -23.223 3.834 1.00 43.03 C ATOM 1280 NZ LYS A 82 30.094 -22.976 4.007 1.00 1.31 N1+ ATOM 0 H LYS A 82 25.076 -19.032 1.196 1.00 52.31 H new ATOM 0 HA LYS A 82 24.717 -20.716 3.473 1.00 64.02 H new ATOM 0 HB2 LYS A 82 26.408 -20.574 1.260 1.00 15.40 H new ATOM 0 HB3 LYS A 82 27.473 -20.154 2.587 1.00 15.40 H new ATOM 0 HG2 LYS A 82 26.347 -22.292 3.723 1.00 55.43 H new ATOM 0 HG3 LYS A 82 26.020 -22.728 2.058 1.00 55.43 H new ATOM 0 HD2 LYS A 82 28.158 -23.363 1.745 1.00 25.31 H new ATOM 0 HD3 LYS A 82 28.744 -21.787 2.241 1.00 25.31 H new ATOM 0 HE2 LYS A 82 28.092 -22.800 4.680 1.00 43.03 H new ATOM 0 HE3 LYS A 82 28.445 -24.296 3.838 1.00 43.03 H new ATOM 0 HZ1 LYS A 82 30.415 -23.402 4.900 1.00 1.31 H new ATOM 0 HZ2 LYS A 82 30.615 -23.401 3.213 1.00 1.31 H new ATOM 0 HZ3 LYS A 82 30.272 -21.952 4.029 1.00 1.31 H new ATOM 1294 N GLU A 83 26.663 -18.055 3.822 1.00 54.33 N ATOM 1295 CA GLU A 83 27.233 -17.148 4.811 1.00 72.13 C ATOM 1296 C GLU A 83 26.134 -16.475 5.629 1.00 22.30 C ATOM 1297 O GLU A 83 26.230 -16.373 6.852 1.00 41.13 O ATOM 1298 CB GLU A 83 28.094 -16.086 4.123 1.00 33.31 C ATOM 1299 CG GLU A 83 29.419 -15.830 4.824 1.00 73.20 C ATOM 1300 CD GLU A 83 30.476 -16.855 4.464 1.00 31.14 C ATOM 1301 OE1 GLU A 83 30.834 -16.946 3.272 1.00 42.32 O1- ATOM 1302 OE2 GLU A 83 30.945 -17.568 5.377 1.00 4.11 O ATOM 0 H GLU A 83 26.887 -17.820 2.855 1.00 54.33 H new ATOM 0 HA GLU A 83 27.858 -17.733 5.486 1.00 72.13 H new ATOM 0 HB2 GLU A 83 28.289 -16.397 3.097 1.00 33.31 H new ATOM 0 HB3 GLU A 83 27.533 -15.153 4.072 1.00 33.31 H new ATOM 0 HG2 GLU A 83 29.779 -14.835 4.561 1.00 73.20 H new ATOM 0 HG3 GLU A 83 29.263 -15.838 5.903 1.00 73.20 H new ATOM 1309 N ALA A 84 25.090 -16.018 4.945 1.00 31.35 N ATOM 1310 CA ALA A 84 23.972 -15.358 5.607 1.00 33.22 C ATOM 1311 C ALA A 84 23.451 -16.194 6.770 1.00 0.53 C ATOM 1312 O ALA A 84 23.318 -15.701 7.890 1.00 54.02 O ATOM 1313 CB ALA A 84 22.857 -15.083 4.610 1.00 63.32 C ATOM 0 H ALA A 84 24.996 -16.093 3.932 1.00 31.35 H new ATOM 0 HA ALA A 84 24.328 -14.409 6.008 1.00 33.22 H new ATOM 0 HB1 ALA A 84 22.028 -14.590 5.118 1.00 63.32 H new ATOM 0 HB2 ALA A 84 23.231 -14.438 3.815 1.00 63.32 H new ATOM 0 HB3 ALA A 84 22.512 -16.024 4.182 1.00 63.32 H new ATOM 1319 N MET A 85 23.158 -17.461 6.497 1.00 15.31 N ATOM 1320 CA MET A 85 22.651 -18.365 7.523 1.00 72.33 C ATOM 1321 C MET A 85 23.772 -18.811 8.457 1.00 13.11 C ATOM 1322 O MET A 85 23.530 -19.152 9.614 1.00 65.35 O ATOM 1323 CB MET A 85 21.994 -19.587 6.877 1.00 14.13 C ATOM 1324 CG MET A 85 20.636 -19.292 6.262 1.00 2.33 C ATOM 1325 SD MET A 85 20.182 -20.475 4.979 1.00 30.31 S ATOM 1326 CE MET A 85 20.045 -19.396 3.557 1.00 34.22 C ATOM 0 H MET A 85 23.263 -17.885 5.575 1.00 15.31 H new ATOM 0 HA MET A 85 21.906 -17.827 8.109 1.00 72.33 H new ATOM 0 HB2 MET A 85 22.656 -19.980 6.105 1.00 14.13 H new ATOM 0 HB3 MET A 85 21.882 -20.369 7.628 1.00 14.13 H new ATOM 0 HG2 MET A 85 19.877 -19.302 7.045 1.00 2.33 H new ATOM 0 HG3 MET A 85 20.644 -18.288 5.838 1.00 2.33 H new ATOM 0 HE1 MET A 85 20.450 -19.899 2.679 1.00 34.22 H new ATOM 0 HE2 MET A 85 18.997 -19.152 3.385 1.00 34.22 H new ATOM 0 HE3 MET A 85 20.605 -18.479 3.741 1.00 34.22 H new ATOM 1336 N ALA A 86 24.999 -18.805 7.946 1.00 22.40 N ATOM 1337 CA ALA A 86 26.157 -19.207 8.735 1.00 24.14 C ATOM 1338 C ALA A 86 26.310 -18.328 9.972 1.00 44.20 C ATOM 1339 O ALA A 86 26.760 -18.790 11.021 1.00 35.33 O ATOM 1340 CB ALA A 86 27.419 -19.151 7.887 1.00 41.43 C ATOM 0 H ALA A 86 25.217 -18.526 6.989 1.00 22.40 H new ATOM 0 HA ALA A 86 26.001 -20.233 9.067 1.00 24.14 H new ATOM 0 HB1 ALA A 86 28.276 -19.454 8.489 1.00 41.43 H new ATOM 0 HB2 ALA A 86 27.316 -19.826 7.037 1.00 41.43 H new ATOM 0 HB3 ALA A 86 27.570 -18.134 7.527 1.00 41.43 H new ATOM 1346 N GLN A 87 25.935 -17.059 9.841 1.00 21.33 N ATOM 1347 CA GLN A 87 26.032 -16.116 10.948 1.00 11.30 C ATOM 1348 C GLN A 87 24.791 -16.183 11.831 1.00 13.12 C ATOM 1349 O GLN A 87 24.418 -15.199 12.470 1.00 34.44 O ATOM 1350 CB GLN A 87 26.221 -14.694 10.420 1.00 62.44 C ATOM 1351 CG GLN A 87 27.647 -14.387 9.992 1.00 22.40 C ATOM 1352 CD GLN A 87 27.951 -12.901 9.994 1.00 42.41 C ATOM 1353 OE1 GLN A 87 27.981 -12.265 11.048 1.00 63.45 O ATOM 1354 NE2 GLN A 87 28.177 -12.341 8.813 1.00 23.23 N ATOM 0 H GLN A 87 25.561 -16.661 8.979 1.00 21.33 H new ATOM 0 HA GLN A 87 26.898 -16.390 11.550 1.00 11.30 H new ATOM 0 HB2 GLN A 87 25.555 -14.539 9.571 1.00 62.44 H new ATOM 0 HB3 GLN A 87 25.922 -13.986 11.193 1.00 62.44 H new ATOM 0 HG2 GLN A 87 28.341 -14.897 10.661 1.00 22.40 H new ATOM 0 HG3 GLN A 87 27.816 -14.787 8.992 1.00 22.40 H new ATOM 0 HE21 GLN A 87 28.142 -12.907 7.965 1.00 23.23 H new ATOM 0 HE22 GLN A 87 28.386 -11.344 8.753 1.00 23.23 H new ATOM 1363 N ASP A 88 24.155 -17.349 11.862 1.00 74.43 N ATOM 1364 CA ASP A 88 22.955 -17.545 12.668 1.00 30.11 C ATOM 1365 C ASP A 88 21.972 -16.395 12.466 1.00 61.34 C ATOM 1366 O ASP A 88 21.189 -16.070 13.359 1.00 12.20 O ATOM 1367 CB ASP A 88 23.323 -17.664 14.148 1.00 42.33 C ATOM 1368 CG ASP A 88 22.404 -18.609 14.897 1.00 10.02 C ATOM 1369 OD1 ASP A 88 21.229 -18.247 15.115 1.00 1.01 O1- ATOM 1370 OD2 ASP A 88 22.861 -19.711 15.269 1.00 73.51 O ATOM 0 H ASP A 88 24.450 -18.173 11.338 1.00 74.43 H new ATOM 0 HA ASP A 88 22.477 -18.470 12.345 1.00 30.11 H new ATOM 0 HB2 ASP A 88 24.351 -18.015 14.237 1.00 42.33 H new ATOM 0 HB3 ASP A 88 23.281 -16.678 14.611 1.00 42.33 H new ATOM 1375 N LYS A 89 22.019 -15.784 11.288 1.00 0.12 N ATOM 1376 CA LYS A 89 21.133 -14.671 10.967 1.00 50.20 C ATOM 1377 C LYS A 89 19.863 -15.166 10.284 1.00 23.34 C ATOM 1378 O LYS A 89 19.004 -14.373 9.898 1.00 54.12 O ATOM 1379 CB LYS A 89 21.851 -13.665 10.065 1.00 12.11 C ATOM 1380 CG LYS A 89 22.716 -12.675 10.826 1.00 1.11 C ATOM 1381 CD LYS A 89 21.884 -11.559 11.435 1.00 0.51 C ATOM 1382 CE LYS A 89 22.615 -10.883 12.585 1.00 23.00 C ATOM 1383 NZ LYS A 89 21.670 -10.354 13.608 1.00 64.21 N1+ ATOM 0 H LYS A 89 22.662 -16.041 10.539 1.00 0.12 H new ATOM 0 HA LYS A 89 20.855 -14.180 11.900 1.00 50.20 H new ATOM 0 HB2 LYS A 89 22.474 -14.207 9.354 1.00 12.11 H new ATOM 0 HB3 LYS A 89 21.109 -13.116 9.485 1.00 12.11 H new ATOM 0 HG2 LYS A 89 23.259 -13.196 11.614 1.00 1.11 H new ATOM 0 HG3 LYS A 89 23.461 -12.249 10.153 1.00 1.11 H new ATOM 0 HD2 LYS A 89 21.647 -10.821 10.669 1.00 0.51 H new ATOM 0 HD3 LYS A 89 20.937 -11.963 11.792 1.00 0.51 H new ATOM 0 HE2 LYS A 89 23.295 -11.596 13.052 1.00 23.00 H new ATOM 0 HE3 LYS A 89 23.225 -10.067 12.198 1.00 23.00 H new ATOM 0 HZ1 LYS A 89 22.207 -9.901 14.375 1.00 64.21 H new ATOM 0 HZ2 LYS A 89 21.038 -9.655 13.168 1.00 64.21 H new ATOM 0 HZ3 LYS A 89 21.105 -11.136 13.996 1.00 64.21 H new ATOM 1397 N MET A 90 19.749 -16.483 10.139 1.00 61.54 N ATOM 1398 CA MET A 90 18.580 -17.083 9.505 1.00 34.14 C ATOM 1399 C MET A 90 18.309 -18.473 10.070 1.00 23.11 C ATOM 1400 O MET A 90 19.237 -19.200 10.424 1.00 52.43 O ATOM 1401 CB MET A 90 18.782 -17.165 7.991 1.00 63.10 C ATOM 1402 CG MET A 90 18.330 -15.919 7.249 1.00 53.24 C ATOM 1403 SD MET A 90 19.587 -15.287 6.121 1.00 10.12 S ATOM 1404 CE MET A 90 20.518 -14.218 7.215 1.00 55.23 C ATOM 0 H MET A 90 20.451 -17.154 10.451 1.00 61.54 H new ATOM 0 HA MET A 90 17.718 -16.451 9.716 1.00 34.14 H new ATOM 0 HB2 MET A 90 19.838 -17.339 7.783 1.00 63.10 H new ATOM 0 HB3 MET A 90 18.235 -18.026 7.606 1.00 63.10 H new ATOM 0 HG2 MET A 90 17.424 -16.144 6.687 1.00 53.24 H new ATOM 0 HG3 MET A 90 18.073 -15.144 7.971 1.00 53.24 H new ATOM 0 HE1 MET A 90 21.242 -13.645 6.635 1.00 55.23 H new ATOM 0 HE2 MET A 90 19.837 -13.534 7.722 1.00 55.23 H new ATOM 0 HE3 MET A 90 21.043 -14.823 7.955 1.00 55.23 H new ATOM 1414 N GLU A 91 17.033 -18.836 10.151 1.00 65.45 N ATOM 1415 CA GLU A 91 16.642 -20.139 10.676 1.00 11.40 C ATOM 1416 C GLU A 91 15.829 -20.918 9.645 1.00 34.33 C ATOM 1417 O GLU A 91 14.678 -20.585 9.366 1.00 12.44 O ATOM 1418 CB GLU A 91 15.831 -19.975 11.962 1.00 33.13 C ATOM 1419 CG GLU A 91 15.111 -18.640 12.061 1.00 21.12 C ATOM 1420 CD GLU A 91 14.259 -18.529 13.310 1.00 24.32 C ATOM 1421 OE1 GLU A 91 14.291 -19.465 14.135 1.00 51.55 O ATOM 1422 OE2 GLU A 91 13.558 -17.505 13.461 1.00 0.55 O1- ATOM 0 H GLU A 91 16.253 -18.247 9.860 1.00 65.45 H new ATOM 0 HA GLU A 91 17.550 -20.700 10.898 1.00 11.40 H new ATOM 0 HB2 GLU A 91 15.098 -20.779 12.024 1.00 33.13 H new ATOM 0 HB3 GLU A 91 16.497 -20.084 12.818 1.00 33.13 H new ATOM 0 HG2 GLU A 91 15.845 -17.834 12.053 1.00 21.12 H new ATOM 0 HG3 GLU A 91 14.480 -18.505 11.182 1.00 21.12 H new ATOM 1429 N VAL A 92 16.437 -21.958 9.082 1.00 4.22 N ATOM 1430 CA VAL A 92 15.770 -22.784 8.083 1.00 10.32 C ATOM 1431 C VAL A 92 15.739 -24.246 8.512 1.00 5.13 C ATOM 1432 O VAL A 92 16.703 -24.759 9.081 1.00 24.13 O ATOM 1433 CB VAL A 92 16.466 -22.677 6.712 1.00 74.54 C ATOM 1434 CG1 VAL A 92 17.946 -23.010 6.836 1.00 44.34 C ATOM 1435 CG2 VAL A 92 15.789 -23.589 5.701 1.00 24.44 C ATOM 0 H VAL A 92 17.390 -22.248 9.301 1.00 4.22 H new ATOM 0 HA VAL A 92 14.749 -22.413 7.994 1.00 10.32 H new ATOM 0 HB VAL A 92 16.379 -21.650 6.358 1.00 74.54 H new ATOM 0 HG11 VAL A 92 18.420 -22.929 5.858 1.00 44.34 H new ATOM 0 HG12 VAL A 92 18.419 -22.313 7.528 1.00 44.34 H new ATOM 0 HG13 VAL A 92 18.060 -24.027 7.211 1.00 44.34 H new ATOM 0 HG21 VAL A 92 16.292 -23.502 4.738 1.00 24.44 H new ATOM 0 HG22 VAL A 92 15.845 -24.621 6.047 1.00 24.44 H new ATOM 0 HG23 VAL A 92 14.744 -23.299 5.592 1.00 24.44 H new ATOM 1445 N ASP A 93 14.624 -24.914 8.236 1.00 5.23 N ATOM 1446 CA ASP A 93 14.466 -26.319 8.593 1.00 71.33 C ATOM 1447 C ASP A 93 13.921 -27.120 7.414 1.00 3.43 C ATOM 1448 O ASP A 93 12.779 -26.933 6.999 1.00 70.13 O ATOM 1449 CB ASP A 93 13.534 -26.461 9.797 1.00 63.55 C ATOM 1450 CG ASP A 93 13.769 -25.386 10.840 1.00 64.33 C ATOM 1451 OD1 ASP A 93 14.860 -25.377 11.448 1.00 3.05 O ATOM 1452 OD2 ASP A 93 12.863 -24.553 11.048 1.00 61.15 O1- ATOM 0 H ASP A 93 13.816 -24.505 7.766 1.00 5.23 H new ATOM 0 HA ASP A 93 15.447 -26.714 8.856 1.00 71.33 H new ATOM 0 HB2 ASP A 93 12.499 -26.415 9.459 1.00 63.55 H new ATOM 0 HB3 ASP A 93 13.678 -27.441 10.251 1.00 63.55 H new ATOM 1457 N GLY A 94 14.747 -28.014 6.879 1.00 62.44 N ATOM 1458 CA GLY A 94 14.331 -28.830 5.754 1.00 54.13 C ATOM 1459 C GLY A 94 15.492 -29.549 5.097 1.00 34.44 C ATOM 1460 O GLY A 94 16.653 -29.250 5.378 1.00 31.24 O ATOM 0 H GLY A 94 15.698 -28.188 7.205 1.00 62.44 H new ATOM 0 HA2 GLY A 94 13.599 -29.563 6.092 1.00 54.13 H new ATOM 0 HA3 GLY A 94 13.834 -28.200 5.016 1.00 54.13 H new ATOM 1464 N GLN A 95 15.181 -30.499 4.222 1.00 20.11 N ATOM 1465 CA GLN A 95 16.208 -31.264 3.526 1.00 74.11 C ATOM 1466 C GLN A 95 17.182 -30.337 2.806 1.00 14.41 C ATOM 1467 O GLN A 95 16.795 -29.589 1.908 1.00 70.12 O ATOM 1468 CB GLN A 95 15.567 -32.226 2.525 1.00 43.12 C ATOM 1469 CG GLN A 95 16.450 -33.412 2.171 1.00 5.44 C ATOM 1470 CD GLN A 95 16.895 -34.193 3.392 1.00 62.14 C ATOM 1471 OE1 GLN A 95 16.113 -34.428 4.312 1.00 52.20 O ATOM 1472 NE2 GLN A 95 18.159 -34.600 3.405 1.00 15.42 N ATOM 0 H GLN A 95 14.225 -30.758 3.978 1.00 20.11 H new ATOM 0 HA GLN A 95 16.762 -31.839 4.268 1.00 74.11 H new ATOM 0 HB2 GLN A 95 14.627 -32.593 2.937 1.00 43.12 H new ATOM 0 HB3 GLN A 95 15.323 -31.680 1.614 1.00 43.12 H new ATOM 0 HG2 GLN A 95 15.908 -34.076 1.498 1.00 5.44 H new ATOM 0 HG3 GLN A 95 17.328 -33.058 1.631 1.00 5.44 H new ATOM 0 HE21 GLN A 95 18.773 -34.383 2.620 1.00 15.42 H new ATOM 0 HE22 GLN A 95 18.516 -35.130 4.200 1.00 15.42 H new ATOM 1481 N VAL A 96 18.448 -30.390 3.207 1.00 3.03 N ATOM 1482 CA VAL A 96 19.478 -29.556 2.599 1.00 31.30 C ATOM 1483 C VAL A 96 19.338 -29.528 1.082 1.00 11.34 C ATOM 1484 O VAL A 96 19.359 -28.463 0.467 1.00 40.02 O ATOM 1485 CB VAL A 96 20.890 -30.052 2.964 1.00 72.23 C ATOM 1486 CG1 VAL A 96 21.949 -29.208 2.271 1.00 73.33 C ATOM 1487 CG2 VAL A 96 21.087 -30.035 4.472 1.00 14.52 C ATOM 0 H VAL A 96 18.785 -31.002 3.950 1.00 3.03 H new ATOM 0 HA VAL A 96 19.342 -28.549 2.992 1.00 31.30 H new ATOM 0 HB VAL A 96 20.995 -31.080 2.618 1.00 72.23 H new ATOM 0 HG11 VAL A 96 22.940 -29.574 2.541 1.00 73.33 H new ATOM 0 HG12 VAL A 96 21.819 -29.276 1.191 1.00 73.33 H new ATOM 0 HG13 VAL A 96 21.848 -28.169 2.584 1.00 73.33 H new ATOM 0 HG21 VAL A 96 22.090 -30.388 4.712 1.00 14.52 H new ATOM 0 HG22 VAL A 96 20.962 -29.018 4.844 1.00 14.52 H new ATOM 0 HG23 VAL A 96 20.351 -30.686 4.943 1.00 14.52 H new ATOM 1497 N GLU A 97 19.195 -30.706 0.484 1.00 74.25 N ATOM 1498 CA GLU A 97 19.052 -30.816 -0.963 1.00 11.51 C ATOM 1499 C GLU A 97 17.878 -29.976 -1.460 1.00 42.00 C ATOM 1500 O GLU A 97 18.019 -29.178 -2.387 1.00 42.22 O ATOM 1501 CB GLU A 97 18.854 -32.278 -1.370 1.00 74.24 C ATOM 1502 CG GLU A 97 19.954 -32.813 -2.270 1.00 53.13 C ATOM 1503 CD GLU A 97 19.518 -32.931 -3.717 1.00 42.33 C ATOM 1504 OE1 GLU A 97 19.626 -31.928 -4.454 1.00 41.00 O1- ATOM 1505 OE2 GLU A 97 19.068 -34.026 -4.114 1.00 51.11 O ATOM 0 H GLU A 97 19.175 -31.598 0.979 1.00 74.25 H new ATOM 0 HA GLU A 97 19.967 -30.439 -1.421 1.00 11.51 H new ATOM 0 HB2 GLU A 97 18.800 -32.892 -0.471 1.00 74.24 H new ATOM 0 HB3 GLU A 97 17.897 -32.377 -1.882 1.00 74.24 H new ATOM 0 HG2 GLU A 97 20.821 -32.155 -2.208 1.00 53.13 H new ATOM 0 HG3 GLU A 97 20.270 -33.792 -1.909 1.00 53.13 H new ATOM 1512 N LEU A 98 16.719 -30.161 -0.835 1.00 4.22 N ATOM 1513 CA LEU A 98 15.521 -29.422 -1.212 1.00 45.51 C ATOM 1514 C LEU A 98 15.816 -27.930 -1.331 1.00 62.10 C ATOM 1515 O LEU A 98 15.545 -27.314 -2.362 1.00 75.13 O ATOM 1516 CB LEU A 98 14.411 -29.653 -0.184 1.00 63.45 C ATOM 1517 CG LEU A 98 13.690 -30.999 -0.267 1.00 24.15 C ATOM 1518 CD1 LEU A 98 12.659 -31.122 0.843 1.00 70.31 C ATOM 1519 CD2 LEU A 98 13.033 -31.169 -1.629 1.00 24.12 C ATOM 0 H LEU A 98 16.585 -30.817 -0.065 1.00 4.22 H new ATOM 0 HA LEU A 98 15.190 -29.787 -2.184 1.00 45.51 H new ATOM 0 HB2 LEU A 98 14.840 -29.554 0.813 1.00 63.45 H new ATOM 0 HB3 LEU A 98 13.671 -28.860 -0.293 1.00 63.45 H new ATOM 0 HG LEU A 98 14.427 -31.792 -0.140 1.00 24.15 H new ATOM 0 HD11 LEU A 98 12.156 -32.086 0.767 1.00 70.31 H new ATOM 0 HD12 LEU A 98 13.155 -31.046 1.811 1.00 70.31 H new ATOM 0 HD13 LEU A 98 11.925 -30.322 0.748 1.00 70.31 H new ATOM 0 HD21 LEU A 98 12.525 -32.132 -1.670 1.00 24.12 H new ATOM 0 HD22 LEU A 98 12.309 -30.370 -1.786 1.00 24.12 H new ATOM 0 HD23 LEU A 98 13.794 -31.127 -2.408 1.00 24.12 H new ATOM 1531 N ILE A 99 16.375 -27.356 -0.270 1.00 14.23 N ATOM 1532 CA ILE A 99 16.709 -25.937 -0.257 1.00 35.14 C ATOM 1533 C ILE A 99 17.884 -25.642 -1.185 1.00 52.03 C ATOM 1534 O ILE A 99 18.058 -24.513 -1.644 1.00 51.23 O ATOM 1535 CB ILE A 99 17.057 -25.454 1.162 1.00 70.21 C ATOM 1536 CG1 ILE A 99 18.280 -26.203 1.695 1.00 34.25 C ATOM 1537 CG2 ILE A 99 15.868 -25.643 2.092 1.00 43.42 C ATOM 1538 CD1 ILE A 99 18.901 -25.557 2.914 1.00 52.41 C ATOM 0 H ILE A 99 16.606 -27.852 0.591 1.00 14.23 H new ATOM 0 HA ILE A 99 15.827 -25.401 -0.608 1.00 35.14 H new ATOM 0 HB ILE A 99 17.296 -24.391 1.119 1.00 70.21 H new ATOM 0 HG12 ILE A 99 17.991 -27.224 1.943 1.00 34.25 H new ATOM 0 HG13 ILE A 99 19.029 -26.266 0.906 1.00 34.25 H new ATOM 0 HG21 ILE A 99 16.130 -25.297 3.092 1.00 43.42 H new ATOM 0 HG22 ILE A 99 15.020 -25.069 1.719 1.00 43.42 H new ATOM 0 HG23 ILE A 99 15.602 -26.699 2.132 1.00 43.42 H new ATOM 0 HD11 ILE A 99 19.762 -26.142 3.237 1.00 52.41 H new ATOM 0 HD12 ILE A 99 19.222 -24.545 2.666 1.00 52.41 H new ATOM 0 HD13 ILE A 99 18.167 -25.518 3.719 1.00 52.41 H new ATOM 1550 N PHE A 100 18.686 -26.665 -1.458 1.00 71.24 N ATOM 1551 CA PHE A 100 19.844 -26.515 -2.332 1.00 72.33 C ATOM 1552 C PHE A 100 19.423 -26.503 -3.798 1.00 42.50 C ATOM 1553 O PHE A 100 20.199 -26.127 -4.677 1.00 71.51 O ATOM 1554 CB PHE A 100 20.845 -27.647 -2.086 1.00 70.10 C ATOM 1555 CG PHE A 100 22.029 -27.232 -1.260 1.00 5.21 C ATOM 1556 CD1 PHE A 100 21.860 -26.456 -0.125 1.00 64.21 C ATOM 1557 CD2 PHE A 100 23.310 -27.620 -1.619 1.00 32.30 C ATOM 1558 CE1 PHE A 100 22.948 -26.073 0.636 1.00 44.14 C ATOM 1559 CE2 PHE A 100 24.402 -27.239 -0.861 1.00 55.43 C ATOM 1560 CZ PHE A 100 24.220 -26.466 0.268 1.00 4.43 C ATOM 0 H PHE A 100 18.556 -27.606 -1.087 1.00 71.24 H new ATOM 0 HA PHE A 100 20.320 -25.562 -2.102 1.00 72.33 H new ATOM 0 HB2 PHE A 100 20.334 -28.470 -1.587 1.00 70.10 H new ATOM 0 HB3 PHE A 100 21.197 -28.025 -3.046 1.00 70.10 H new ATOM 0 HD1 PHE A 100 20.868 -26.147 0.168 1.00 64.21 H new ATOM 0 HD2 PHE A 100 23.457 -28.227 -2.500 1.00 32.30 H new ATOM 0 HE1 PHE A 100 22.804 -25.467 1.518 1.00 44.14 H new ATOM 0 HE2 PHE A 100 25.396 -27.546 -1.152 1.00 55.43 H new ATOM 0 HZ PHE A 100 25.071 -26.169 0.863 1.00 4.43 H new ATOM 1570 N LEU A 101 18.187 -26.919 -4.055 1.00 25.32 N ATOM 1571 CA LEU A 101 17.659 -26.958 -5.414 1.00 40.32 C ATOM 1572 C LEU A 101 17.318 -25.555 -5.906 1.00 65.23 C ATOM 1573 O LEU A 101 17.501 -25.236 -7.082 1.00 62.41 O ATOM 1574 CB LEU A 101 16.417 -27.849 -5.476 1.00 25.44 C ATOM 1575 CG LEU A 101 16.672 -29.356 -5.488 1.00 23.22 C ATOM 1576 CD1 LEU A 101 15.370 -30.120 -5.306 1.00 4.34 C ATOM 1577 CD2 LEU A 101 17.361 -29.771 -6.780 1.00 22.30 C ATOM 0 H LEU A 101 17.532 -27.234 -3.339 1.00 25.32 H new ATOM 0 HA LEU A 101 18.429 -27.374 -6.064 1.00 40.32 H new ATOM 0 HB2 LEU A 101 15.783 -27.615 -4.621 1.00 25.44 H new ATOM 0 HB3 LEU A 101 15.852 -27.589 -6.371 1.00 25.44 H new ATOM 0 HG LEU A 101 17.331 -29.600 -4.655 1.00 23.22 H new ATOM 0 HD11 LEU A 101 15.572 -31.191 -5.317 1.00 4.34 H new ATOM 0 HD12 LEU A 101 14.918 -29.846 -4.353 1.00 4.34 H new ATOM 0 HD13 LEU A 101 14.686 -29.871 -6.117 1.00 4.34 H new ATOM 0 HD21 LEU A 101 17.534 -30.847 -6.770 1.00 22.30 H new ATOM 0 HD22 LEU A 101 16.728 -29.513 -7.629 1.00 22.30 H new ATOM 0 HD23 LEU A 101 18.315 -29.251 -6.867 1.00 22.30 H new ATOM 1589 N LEU A 102 16.823 -24.721 -4.999 1.00 30.55 N ATOM 1590 CA LEU A 102 16.458 -23.349 -5.339 1.00 44.41 C ATOM 1591 C LEU A 102 17.662 -22.421 -5.224 1.00 35.10 C ATOM 1592 O LEU A 102 17.582 -21.240 -5.561 1.00 24.35 O ATOM 1593 CB LEU A 102 15.332 -22.859 -4.426 1.00 74.32 C ATOM 1594 CG LEU A 102 13.910 -23.194 -4.876 1.00 21.44 C ATOM 1595 CD1 LEU A 102 13.717 -24.701 -4.957 1.00 14.34 C ATOM 1596 CD2 LEU A 102 12.893 -22.575 -3.929 1.00 31.25 C ATOM 0 H LEU A 102 16.665 -24.970 -4.023 1.00 30.55 H new ATOM 0 HA LEU A 102 16.111 -23.337 -6.372 1.00 44.41 H new ATOM 0 HB2 LEU A 102 15.487 -23.281 -3.433 1.00 74.32 H new ATOM 0 HB3 LEU A 102 15.415 -21.777 -4.328 1.00 74.32 H new ATOM 0 HG LEU A 102 13.755 -22.775 -5.870 1.00 21.44 H new ATOM 0 HD11 LEU A 102 12.699 -24.921 -5.279 1.00 14.34 H new ATOM 0 HD12 LEU A 102 14.423 -25.120 -5.674 1.00 14.34 H new ATOM 0 HD13 LEU A 102 13.891 -25.143 -3.976 1.00 14.34 H new ATOM 0 HD21 LEU A 102 11.886 -22.823 -4.264 1.00 31.25 H new ATOM 0 HD22 LEU A 102 13.048 -22.966 -2.923 1.00 31.25 H new ATOM 0 HD23 LEU A 102 13.016 -21.492 -3.920 1.00 31.25 H new ATOM 1608 N GLU A 103 18.779 -22.964 -4.750 1.00 43.15 N ATOM 1609 CA GLU A 103 20.001 -22.183 -4.592 1.00 3.21 C ATOM 1610 C GLU A 103 20.523 -21.713 -5.946 1.00 63.23 C ATOM 1611 O GLU A 103 20.782 -20.529 -6.163 1.00 12.34 O ATOM 1612 CB GLU A 103 21.072 -23.009 -3.878 1.00 45.21 C ATOM 1613 CG GLU A 103 21.158 -22.734 -2.385 1.00 43.34 C ATOM 1614 CD GLU A 103 22.405 -23.323 -1.756 1.00 35.30 C ATOM 1615 OE1 GLU A 103 22.910 -24.340 -2.274 1.00 12.12 O1- ATOM 1616 OE2 GLU A 103 22.878 -22.765 -0.742 1.00 3.05 O ATOM 0 H GLU A 103 18.863 -23.941 -4.469 1.00 43.15 H new ATOM 0 HA GLU A 103 19.767 -21.307 -3.988 1.00 3.21 H new ATOM 0 HB2 GLU A 103 20.865 -24.068 -4.033 1.00 45.21 H new ATOM 0 HB3 GLU A 103 22.041 -22.804 -4.333 1.00 45.21 H new ATOM 0 HG2 GLU A 103 21.144 -21.657 -2.216 1.00 43.34 H new ATOM 0 HG3 GLU A 103 20.277 -23.146 -1.892 1.00 43.34 H new ATOM 1623 N PRO A 104 20.684 -22.662 -6.879 1.00 1.41 N ATOM 1624 CA PRO A 104 21.178 -22.370 -8.229 1.00 73.13 C ATOM 1625 C PRO A 104 20.167 -21.588 -9.059 1.00 4.23 C ATOM 1626 O PRO A 104 20.472 -21.137 -10.164 1.00 22.01 O ATOM 1627 CB PRO A 104 21.404 -23.759 -8.832 1.00 53.34 C ATOM 1628 CG PRO A 104 20.475 -24.652 -8.084 1.00 15.34 C ATOM 1629 CD PRO A 104 20.395 -24.094 -6.690 1.00 52.44 C ATOM 0 HA PRO A 104 22.073 -21.748 -8.210 1.00 73.13 H new ATOM 0 HB2 PRO A 104 21.187 -23.767 -9.900 1.00 53.34 H new ATOM 0 HB3 PRO A 104 22.440 -24.078 -8.715 1.00 53.34 H new ATOM 0 HG2 PRO A 104 19.491 -24.672 -8.553 1.00 15.34 H new ATOM 0 HG3 PRO A 104 20.844 -25.678 -8.073 1.00 15.34 H new ATOM 0 HD2 PRO A 104 19.410 -24.251 -6.250 1.00 52.44 H new ATOM 0 HD3 PRO A 104 21.119 -24.566 -6.026 1.00 52.44 H new ATOM 1637 N PHE A 105 18.962 -21.428 -8.520 1.00 2.15 N ATOM 1638 CA PHE A 105 17.906 -20.698 -9.213 1.00 32.10 C ATOM 1639 C PHE A 105 17.825 -19.258 -8.717 1.00 31.15 C ATOM 1640 O PHE A 105 17.233 -18.398 -9.369 1.00 64.30 O ATOM 1641 CB PHE A 105 16.560 -21.397 -9.011 1.00 54.33 C ATOM 1642 CG PHE A 105 16.529 -22.804 -9.533 1.00 41.41 C ATOM 1643 CD1 PHE A 105 17.290 -23.165 -10.633 1.00 1.41 C ATOM 1644 CD2 PHE A 105 15.740 -23.766 -8.924 1.00 74.43 C ATOM 1645 CE1 PHE A 105 17.264 -24.460 -11.117 1.00 3.32 C ATOM 1646 CE2 PHE A 105 15.709 -25.062 -9.403 1.00 11.53 C ATOM 1647 CZ PHE A 105 16.474 -25.409 -10.500 1.00 12.30 C ATOM 0 H PHE A 105 18.693 -21.794 -7.607 1.00 2.15 H new ATOM 0 HA PHE A 105 18.144 -20.683 -10.277 1.00 32.10 H new ATOM 0 HB2 PHE A 105 16.322 -21.408 -7.947 1.00 54.33 H new ATOM 0 HB3 PHE A 105 15.781 -20.817 -9.506 1.00 54.33 H new ATOM 0 HD1 PHE A 105 17.911 -22.426 -11.118 1.00 1.41 H new ATOM 0 HD2 PHE A 105 15.142 -23.500 -8.065 1.00 74.43 H new ATOM 0 HE1 PHE A 105 17.861 -24.728 -11.976 1.00 3.32 H new ATOM 0 HE2 PHE A 105 15.088 -25.802 -8.921 1.00 11.53 H new ATOM 0 HZ PHE A 105 16.454 -26.422 -10.874 1.00 12.30 H new ATOM 1657 N ILE A 106 18.423 -19.003 -7.558 1.00 24.22 N ATOM 1658 CA ILE A 106 18.420 -17.666 -6.975 1.00 75.54 C ATOM 1659 C ILE A 106 18.882 -16.624 -7.987 1.00 2.34 C ATOM 1660 O ILE A 106 18.348 -15.516 -8.040 1.00 3.54 O ATOM 1661 CB ILE A 106 19.323 -17.594 -5.729 1.00 33.34 C ATOM 1662 CG1 ILE A 106 18.648 -18.284 -4.542 1.00 1.44 C ATOM 1663 CG2 ILE A 106 19.644 -16.145 -5.393 1.00 24.41 C ATOM 1664 CD1 ILE A 106 19.623 -18.775 -3.495 1.00 25.24 C ATOM 0 H ILE A 106 18.916 -19.704 -7.004 1.00 24.22 H new ATOM 0 HA ILE A 106 17.393 -17.451 -6.681 1.00 75.54 H new ATOM 0 HB ILE A 106 20.257 -18.114 -5.944 1.00 33.34 H new ATOM 0 HG12 ILE A 106 17.948 -17.589 -4.078 1.00 1.44 H new ATOM 0 HG13 ILE A 106 18.064 -19.128 -4.907 1.00 1.44 H new ATOM 0 HG21 ILE A 106 20.283 -16.109 -4.510 1.00 24.41 H new ATOM 0 HG22 ILE A 106 20.161 -15.682 -6.234 1.00 24.41 H new ATOM 0 HG23 ILE A 106 18.719 -15.604 -5.194 1.00 24.41 H new ATOM 0 HD11 ILE A 106 19.075 -19.253 -2.683 1.00 25.24 H new ATOM 0 HD12 ILE A 106 20.307 -19.495 -3.944 1.00 25.24 H new ATOM 0 HD13 ILE A 106 20.190 -17.931 -3.102 1.00 25.24 H new ATOM 1676 N ALA A 107 19.878 -16.986 -8.789 1.00 3.35 N ATOM 1677 CA ALA A 107 20.410 -16.083 -9.801 1.00 34.20 C ATOM 1678 C ALA A 107 19.360 -15.769 -10.863 1.00 53.41 C ATOM 1679 O ALA A 107 19.255 -14.635 -11.328 1.00 32.33 O ATOM 1680 CB ALA A 107 21.651 -16.685 -10.445 1.00 64.22 C ATOM 0 H ALA A 107 20.332 -17.899 -8.757 1.00 3.35 H new ATOM 0 HA ALA A 107 20.685 -15.149 -9.311 1.00 34.20 H new ATOM 0 HB1 ALA A 107 22.038 -16.000 -11.199 1.00 64.22 H new ATOM 0 HB2 ALA A 107 22.412 -16.853 -9.682 1.00 64.22 H new ATOM 0 HB3 ALA A 107 21.393 -17.634 -10.915 1.00 64.22 H new ATOM 1686 N SER A 108 18.588 -16.782 -11.242 1.00 21.15 N ATOM 1687 CA SER A 108 17.550 -16.614 -12.252 1.00 44.42 C ATOM 1688 C SER A 108 16.655 -15.423 -11.920 1.00 32.13 C ATOM 1689 O SER A 108 16.151 -14.742 -12.814 1.00 64.31 O ATOM 1690 CB SER A 108 16.705 -17.886 -12.362 1.00 55.01 C ATOM 1691 OG SER A 108 17.492 -19.042 -12.130 1.00 5.42 O ATOM 0 H SER A 108 18.662 -17.727 -10.865 1.00 21.15 H new ATOM 0 HA SER A 108 18.037 -16.425 -13.209 1.00 44.42 H new ATOM 0 HB2 SER A 108 15.888 -17.847 -11.641 1.00 55.01 H new ATOM 0 HB3 SER A 108 16.254 -17.942 -13.353 1.00 55.01 H new ATOM 0 HG SER A 108 16.929 -19.841 -12.204 1.00 5.42 H new