USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 753 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 Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 156:sc= -0.0786 (180deg=-0.512) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot -82:sc= 1.17 USER MOD Single : A 100 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0566) USER MOD Single : A 102 TYR OH : rot 56:sc= -1.72! USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot -21:sc= 0.634 USER MOD Single : A 125 ASN :FLIP amide:sc= -2.79! C(o=-3.6!,f=-2.8!) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot 180:sc= 0.00203 USER MOD Single : A 146 HIS : no HE2:sc= -0.249 K(o=-0.25,f=-2.2) USER MOD Single : A 150 LYS NZ :NH3+ 138:sc= -0.0124 (180deg=-0.291) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= -1.97 X(o=-2,f=-1.9) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 ASN : amide:sc= -0.318 X(o=-0.32,f=-0.27) USER MOD Single : A 165 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.0045) USER MOD Single : A 169 SER OG : rot -80:sc= -0.485 USER MOD Single : A 176 SER OG : rot 136:sc= -0.798 USER MOD Single : A 178 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.5!) USER MOD Single : A 179 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 16 N LYS A 88 -0.276 -6.285 -2.125 1.00 40.53 N ATOM 17 CA LYS A 88 0.966 -6.011 -2.839 1.00 63.05 C ATOM 18 C LYS A 88 0.688 -5.285 -4.153 1.00 52.21 C ATOM 19 O LYS A 88 1.315 -5.569 -5.173 1.00 53.22 O ATOM 20 CB LYS A 88 1.719 -7.315 -3.114 1.00 43.40 C ATOM 21 CG LYS A 88 2.087 -8.081 -1.856 1.00 73.43 C ATOM 22 CD LYS A 88 3.255 -7.433 -1.130 1.00 72.30 C ATOM 23 CE LYS A 88 3.221 -7.735 0.361 1.00 5.41 C ATOM 24 NZ LYS A 88 4.437 -7.229 1.057 1.00 62.21 N1+ ATOM 0 HA LYS A 88 1.583 -5.368 -2.211 1.00 63.05 H new ATOM 0 HB2 LYS A 88 1.105 -7.952 -3.751 1.00 43.40 H new ATOM 0 HB3 LYS A 88 2.628 -7.089 -3.671 1.00 43.40 H new ATOM 0 HG2 LYS A 88 1.224 -8.127 -1.191 1.00 73.43 H new ATOM 0 HG3 LYS A 88 2.344 -9.108 -2.116 1.00 73.43 H new ATOM 0 HD2 LYS A 88 4.193 -7.792 -1.554 1.00 72.30 H new ATOM 0 HD3 LYS A 88 3.228 -6.354 -1.285 1.00 72.30 H new ATOM 0 HE2 LYS A 88 2.334 -7.281 0.803 1.00 5.41 H new ATOM 0 HE3 LYS A 88 3.138 -8.811 0.512 1.00 5.41 H new ATOM 0 HZ1 LYS A 88 4.376 -7.454 2.070 1.00 62.21 H new ATOM 0 HZ2 LYS A 88 5.282 -7.681 0.652 1.00 62.21 H new ATOM 0 HZ3 LYS A 88 4.503 -6.198 0.935 1.00 62.21 H new ATOM 38 N ALA A 89 -0.254 -4.349 -4.118 1.00 2.12 N ATOM 39 CA ALA A 89 -0.611 -3.581 -5.304 1.00 32.13 C ATOM 40 C ALA A 89 0.537 -2.675 -5.738 1.00 63.45 C ATOM 41 O ALA A 89 0.992 -2.736 -6.882 1.00 5.31 O ATOM 42 CB ALA A 89 -1.864 -2.757 -5.042 1.00 44.04 C ATOM 0 H ALA A 89 -0.784 -4.104 -3.281 1.00 2.12 H new ATOM 0 HA ALA A 89 -0.812 -4.283 -6.113 1.00 32.13 H new ATOM 0 HB1 ALA A 89 -2.119 -2.188 -5.936 1.00 44.04 H new ATOM 0 HB2 ALA A 89 -2.690 -3.421 -4.787 1.00 44.04 H new ATOM 0 HB3 ALA A 89 -1.682 -2.070 -4.215 1.00 44.04 H new ATOM 48 N LYS A 90 1.003 -1.836 -4.820 1.00 51.00 N ATOM 49 CA LYS A 90 2.099 -0.918 -5.107 1.00 61.25 C ATOM 50 C LYS A 90 3.374 -1.683 -5.447 1.00 14.35 C ATOM 51 O LYS A 90 4.234 -1.185 -6.174 1.00 71.13 O ATOM 52 CB LYS A 90 2.347 0.002 -3.911 1.00 41.44 C ATOM 53 CG LYS A 90 1.451 1.228 -3.890 1.00 65.43 C ATOM 54 CD LYS A 90 0.094 0.916 -3.280 1.00 32.40 C ATOM 55 CE LYS A 90 0.127 1.016 -1.763 1.00 73.34 C ATOM 56 NZ LYS A 90 0.384 2.410 -1.305 1.00 11.23 N1+ ATOM 0 H LYS A 90 0.638 -1.772 -3.869 1.00 51.00 H new ATOM 0 HA LYS A 90 1.818 -0.314 -5.970 1.00 61.25 H new ATOM 0 HB2 LYS A 90 2.197 -0.563 -2.991 1.00 41.44 H new ATOM 0 HB3 LYS A 90 3.388 0.324 -3.921 1.00 41.44 H new ATOM 0 HG2 LYS A 90 1.933 2.023 -3.320 1.00 65.43 H new ATOM 0 HG3 LYS A 90 1.318 1.600 -4.906 1.00 65.43 H new ATOM 0 HD2 LYS A 90 -0.651 1.607 -3.675 1.00 32.40 H new ATOM 0 HD3 LYS A 90 -0.215 -0.087 -3.573 1.00 32.40 H new ATOM 0 HE2 LYS A 90 -0.822 0.669 -1.355 1.00 73.34 H new ATOM 0 HE3 LYS A 90 0.902 0.357 -1.372 1.00 73.34 H new ATOM 0 HZ1 LYS A 90 0.011 2.534 -0.342 1.00 11.23 H new ATOM 0 HZ2 LYS A 90 1.408 2.592 -1.305 1.00 11.23 H new ATOM 0 HZ3 LYS A 90 -0.087 3.079 -1.947 1.00 11.23 H new ATOM 70 N ARG A 91 3.491 -2.896 -4.917 1.00 52.32 N ATOM 71 CA ARG A 91 4.660 -3.730 -5.164 1.00 73.43 C ATOM 72 C ARG A 91 4.730 -4.149 -6.630 1.00 12.01 C ATOM 73 O ARG A 91 5.809 -4.411 -7.161 1.00 55.01 O ATOM 74 CB ARG A 91 4.629 -4.970 -4.270 1.00 55.15 C ATOM 75 CG ARG A 91 5.339 -4.781 -2.939 1.00 43.31 C ATOM 76 CD ARG A 91 4.729 -3.639 -2.140 1.00 24.02 C ATOM 77 NE ARG A 91 5.438 -3.412 -0.885 1.00 52.32 N ATOM 78 CZ ARG A 91 6.609 -2.789 -0.804 1.00 52.22 C ATOM 79 NH1 ARG A 91 7.199 -2.334 -1.900 1.00 64.04 N1+ ATOM 80 NH2 ARG A 91 7.193 -2.619 0.377 1.00 70.21 N ATOM 0 H ARG A 91 2.789 -3.323 -4.313 1.00 52.32 H new ATOM 0 HA ARG A 91 5.548 -3.143 -4.928 1.00 73.43 H new ATOM 0 HB2 ARG A 91 3.591 -5.246 -4.082 1.00 55.15 H new ATOM 0 HB3 ARG A 91 5.089 -5.803 -4.802 1.00 55.15 H new ATOM 0 HG2 ARG A 91 5.281 -5.703 -2.360 1.00 43.31 H new ATOM 0 HG3 ARG A 91 6.396 -4.580 -3.114 1.00 43.31 H new ATOM 0 HD2 ARG A 91 4.748 -2.728 -2.737 1.00 24.02 H new ATOM 0 HD3 ARG A 91 3.683 -3.861 -1.931 1.00 24.02 H new ATOM 0 HE ARG A 91 5.011 -3.750 -0.022 1.00 52.32 H new ATOM 0 HH11 ARG A 91 6.754 -2.462 -2.809 1.00 64.04 H new ATOM 0 HH12 ARG A 91 8.098 -1.856 -1.834 1.00 64.04 H new ATOM 0 HH21 ARG A 91 6.743 -2.967 1.223 1.00 70.21 H new ATOM 0 HH22 ARG A 91 8.092 -2.141 0.437 1.00 70.21 H new ATOM 94 N HIS A 92 3.571 -4.209 -7.278 1.00 20.10 N ATOM 95 CA HIS A 92 3.500 -4.595 -8.683 1.00 61.12 C ATOM 96 C HIS A 92 4.459 -3.760 -9.525 1.00 44.23 C ATOM 97 O HIS A 92 5.151 -4.284 -10.398 1.00 34.04 O ATOM 98 CB HIS A 92 2.072 -4.436 -9.206 1.00 61.10 C ATOM 99 CG HIS A 92 1.740 -5.365 -10.333 1.00 44.40 C ATOM 100 ND1 HIS A 92 2.054 -5.096 -11.648 1.00 73.45 N ATOM 101 CD2 HIS A 92 1.119 -6.568 -10.335 1.00 35.45 C ATOM 102 CE1 HIS A 92 1.640 -6.091 -12.411 1.00 42.11 C ATOM 103 NE2 HIS A 92 1.069 -6.997 -11.638 1.00 11.35 N ATOM 0 H HIS A 92 2.669 -3.995 -6.853 1.00 20.10 H new ATOM 0 HA HIS A 92 3.793 -5.642 -8.762 1.00 61.12 H new ATOM 0 HB2 HIS A 92 1.373 -4.607 -8.387 1.00 61.10 H new ATOM 0 HB3 HIS A 92 1.928 -3.408 -9.539 1.00 61.10 H new ATOM 0 HD2 HIS A 92 0.735 -7.092 -9.473 1.00 35.45 H new ATOM 0 HE1 HIS A 92 1.750 -6.153 -13.484 1.00 42.11 H new ATOM 0 HE2 HIS A 92 0.657 -7.874 -11.958 1.00 11.35 H new ATOM 111 N GLU A 93 4.493 -2.457 -9.258 1.00 62.03 N ATOM 112 CA GLU A 93 5.366 -1.550 -9.993 1.00 22.40 C ATOM 113 C GLU A 93 6.799 -1.633 -9.474 1.00 33.12 C ATOM 114 O GLU A 93 7.750 -1.332 -10.194 1.00 63.31 O ATOM 115 CB GLU A 93 4.855 -0.113 -9.883 1.00 71.43 C ATOM 116 CG GLU A 93 5.411 0.815 -10.950 1.00 15.43 C ATOM 117 CD GLU A 93 4.689 0.680 -12.276 1.00 43.51 C ATOM 118 OE1 GLU A 93 4.011 -0.348 -12.480 1.00 60.32 O1- ATOM 119 OE2 GLU A 93 4.803 1.603 -13.110 1.00 11.33 O ATOM 0 H GLU A 93 3.926 -2.007 -8.539 1.00 62.03 H new ATOM 0 HA GLU A 93 5.359 -1.851 -11.041 1.00 22.40 H new ATOM 0 HB2 GLU A 93 3.767 -0.117 -9.949 1.00 71.43 H new ATOM 0 HB3 GLU A 93 5.114 0.281 -8.900 1.00 71.43 H new ATOM 0 HG2 GLU A 93 5.337 1.846 -10.604 1.00 15.43 H new ATOM 0 HG3 GLU A 93 6.470 0.603 -11.094 1.00 15.43 H new ATOM 126 N ALA A 94 6.944 -2.043 -8.219 1.00 71.42 N ATOM 127 CA ALA A 94 8.259 -2.167 -7.601 1.00 50.12 C ATOM 128 C ALA A 94 8.965 -3.437 -8.065 1.00 2.41 C ATOM 129 O ALA A 94 10.185 -3.554 -7.959 1.00 44.00 O ATOM 130 CB ALA A 94 8.134 -2.154 -6.086 1.00 70.33 C ATOM 0 H ALA A 94 6.166 -2.295 -7.609 1.00 71.42 H new ATOM 0 HA ALA A 94 8.861 -1.313 -7.911 1.00 50.12 H new ATOM 0 HB1 ALA A 94 9.123 -2.247 -5.638 1.00 70.33 H new ATOM 0 HB2 ALA A 94 7.678 -1.217 -5.767 1.00 70.33 H new ATOM 0 HB3 ALA A 94 7.511 -2.989 -5.765 1.00 70.33 H new ATOM 136 N TRP A 95 8.189 -4.386 -8.578 1.00 33.54 N ATOM 137 CA TRP A 95 8.741 -5.648 -9.056 1.00 2.43 C ATOM 138 C TRP A 95 9.780 -5.409 -10.146 1.00 64.44 C ATOM 139 O TRP A 95 10.643 -6.253 -10.389 1.00 61.23 O ATOM 140 CB TRP A 95 7.624 -6.548 -9.588 1.00 2.15 C ATOM 141 CG TRP A 95 6.776 -7.144 -8.505 1.00 41.24 C ATOM 142 CD1 TRP A 95 7.026 -7.122 -7.163 1.00 14.00 C ATOM 143 CD2 TRP A 95 5.543 -7.852 -8.674 1.00 42.31 C ATOM 144 NE1 TRP A 95 6.023 -7.774 -6.487 1.00 71.33 N ATOM 145 CE2 TRP A 95 5.101 -8.230 -7.391 1.00 74.32 C ATOM 146 CE3 TRP A 95 4.768 -8.201 -9.784 1.00 42.51 C ATOM 147 CZ2 TRP A 95 3.919 -8.940 -7.191 1.00 53.54 C ATOM 148 CZ3 TRP A 95 3.597 -8.906 -9.583 1.00 13.11 C ATOM 149 CH2 TRP A 95 3.181 -9.269 -8.295 1.00 33.31 C ATOM 0 H TRP A 95 7.177 -4.305 -8.673 1.00 33.54 H new ATOM 0 HA TRP A 95 9.229 -6.144 -8.217 1.00 2.43 H new ATOM 0 HB2 TRP A 95 6.990 -5.970 -10.260 1.00 2.15 H new ATOM 0 HB3 TRP A 95 8.064 -7.351 -10.179 1.00 2.15 H new ATOM 0 HD1 TRP A 95 7.886 -6.660 -6.701 1.00 14.00 H new ATOM 0 HE1 TRP A 95 5.973 -7.898 -5.476 1.00 71.33 H new ATOM 0 HE3 TRP A 95 5.079 -7.924 -10.781 1.00 42.51 H new ATOM 0 HZ2 TRP A 95 3.597 -9.221 -6.199 1.00 53.54 H new ATOM 0 HZ3 TRP A 95 2.991 -9.182 -10.434 1.00 13.11 H new ATOM 0 HH2 TRP A 95 2.260 -9.819 -8.171 1.00 33.31 H new ATOM 160 N ILE A 96 9.692 -4.256 -10.800 1.00 55.12 N ATOM 161 CA ILE A 96 10.626 -3.907 -11.863 1.00 34.21 C ATOM 162 C ILE A 96 12.070 -4.065 -11.400 1.00 70.15 C ATOM 163 O ILE A 96 12.962 -4.350 -12.198 1.00 2.25 O ATOM 164 CB ILE A 96 10.410 -2.463 -12.350 1.00 32.45 C ATOM 165 CG1 ILE A 96 10.706 -1.471 -11.223 1.00 12.32 C ATOM 166 CG2 ILE A 96 8.988 -2.282 -12.862 1.00 51.44 C ATOM 167 CD1 ILE A 96 10.579 -0.023 -11.643 1.00 41.21 C ATOM 0 H ILE A 96 8.983 -3.547 -10.612 1.00 55.12 H new ATOM 0 HA ILE A 96 10.435 -4.593 -12.689 1.00 34.21 H new ATOM 0 HB ILE A 96 11.099 -2.267 -13.172 1.00 32.45 H new ATOM 0 HG12 ILE A 96 10.024 -1.661 -10.394 1.00 12.32 H new ATOM 0 HG13 ILE A 96 11.716 -1.646 -10.852 1.00 12.32 H new ATOM 0 HG21 ILE A 96 8.852 -1.256 -13.203 1.00 51.44 H new ATOM 0 HG22 ILE A 96 8.810 -2.966 -13.692 1.00 51.44 H new ATOM 0 HG23 ILE A 96 8.282 -2.494 -12.059 1.00 51.44 H new ATOM 0 HD11 ILE A 96 10.803 0.623 -10.794 1.00 41.21 H new ATOM 0 HD12 ILE A 96 11.280 0.184 -12.451 1.00 41.21 H new ATOM 0 HD13 ILE A 96 9.562 0.168 -11.986 1.00 41.21 H new ATOM 179 N THR A 97 12.293 -3.879 -10.102 1.00 51.42 N ATOM 180 CA THR A 97 13.628 -4.002 -9.532 1.00 31.44 C ATOM 181 C THR A 97 14.044 -5.464 -9.414 1.00 41.10 C ATOM 182 O THR A 97 15.026 -5.892 -10.023 1.00 50.20 O ATOM 183 CB THR A 97 13.707 -3.345 -8.141 1.00 14.40 C ATOM 184 OG1 THR A 97 12.688 -3.878 -7.288 1.00 50.05 O ATOM 185 CG2 THR A 97 13.548 -1.836 -8.245 1.00 60.33 C ATOM 0 H THR A 97 11.566 -3.643 -9.427 1.00 51.42 H new ATOM 0 HA THR A 97 14.309 -3.487 -10.209 1.00 31.44 H new ATOM 0 HB THR A 97 14.687 -3.563 -7.717 1.00 14.40 H new ATOM 0 HG1 THR A 97 11.842 -3.415 -7.460 1.00 50.05 H new ATOM 0 HG21 THR A 97 13.607 -1.394 -7.250 1.00 60.33 H new ATOM 0 HG22 THR A 97 14.342 -1.429 -8.871 1.00 60.33 H new ATOM 0 HG23 THR A 97 12.580 -1.602 -8.689 1.00 60.33 H new ATOM 193 N LEU A 98 13.292 -6.227 -8.630 1.00 70.21 N ATOM 194 CA LEU A 98 13.582 -7.643 -8.433 1.00 75.55 C ATOM 195 C LEU A 98 13.556 -8.393 -9.761 1.00 22.22 C ATOM 196 O LEU A 98 14.145 -9.466 -9.890 1.00 13.11 O ATOM 197 CB LEU A 98 12.572 -8.262 -7.465 1.00 74.34 C ATOM 198 CG LEU A 98 11.097 -8.009 -7.781 1.00 35.43 C ATOM 199 CD1 LEU A 98 10.569 -9.062 -8.742 1.00 20.42 C ATOM 200 CD2 LEU A 98 10.274 -7.989 -6.501 1.00 61.11 C ATOM 0 H LEU A 98 12.476 -5.889 -8.120 1.00 70.21 H new ATOM 0 HA LEU A 98 14.582 -7.728 -8.007 1.00 75.55 H new ATOM 0 HB2 LEU A 98 12.738 -9.339 -7.438 1.00 74.34 H new ATOM 0 HB3 LEU A 98 12.779 -7.883 -6.464 1.00 74.34 H new ATOM 0 HG LEU A 98 11.009 -7.034 -8.260 1.00 35.43 H new ATOM 0 HD11 LEU A 98 9.518 -8.866 -8.955 1.00 20.42 H new ATOM 0 HD12 LEU A 98 11.140 -9.027 -9.670 1.00 20.42 H new ATOM 0 HD13 LEU A 98 10.669 -10.049 -8.291 1.00 20.42 H new ATOM 0 HD21 LEU A 98 9.227 -7.808 -6.744 1.00 61.11 H new ATOM 0 HD22 LEU A 98 10.368 -8.949 -5.993 1.00 61.11 H new ATOM 0 HD23 LEU A 98 10.637 -7.196 -5.847 1.00 61.11 H new ATOM 212 N GLU A 99 12.872 -7.820 -10.746 1.00 4.44 N ATOM 213 CA GLU A 99 12.770 -8.435 -12.064 1.00 1.33 C ATOM 214 C GLU A 99 14.152 -8.793 -12.605 1.00 35.40 C ATOM 215 O GLU A 99 14.372 -9.900 -13.095 1.00 24.30 O ATOM 216 CB GLU A 99 12.059 -7.493 -13.037 1.00 15.35 C ATOM 217 CG GLU A 99 10.542 -7.577 -12.966 1.00 32.50 C ATOM 218 CD GLU A 99 9.959 -8.493 -14.023 1.00 23.42 C ATOM 219 OE1 GLU A 99 10.242 -8.277 -15.220 1.00 23.50 O1- ATOM 220 OE2 GLU A 99 9.218 -9.428 -13.654 1.00 0.21 O ATOM 0 H GLU A 99 12.380 -6.931 -10.656 1.00 4.44 H new ATOM 0 HA GLU A 99 12.188 -9.351 -11.965 1.00 1.33 H new ATOM 0 HB2 GLU A 99 12.368 -6.469 -12.829 1.00 15.35 H new ATOM 0 HB3 GLU A 99 12.380 -7.723 -14.053 1.00 15.35 H new ATOM 0 HG2 GLU A 99 10.247 -7.933 -11.979 1.00 32.50 H new ATOM 0 HG3 GLU A 99 10.121 -6.579 -13.083 1.00 32.50 H new ATOM 227 N LYS A 100 15.080 -7.847 -12.511 1.00 11.05 N ATOM 228 CA LYS A 100 16.441 -8.060 -12.989 1.00 40.42 C ATOM 229 C LYS A 100 17.120 -9.185 -12.214 1.00 54.22 C ATOM 230 O LYS A 100 17.994 -9.875 -12.740 1.00 73.30 O ATOM 231 CB LYS A 100 17.258 -6.773 -12.858 1.00 73.52 C ATOM 232 CG LYS A 100 17.128 -5.847 -14.055 1.00 14.42 C ATOM 233 CD LYS A 100 15.861 -5.012 -13.981 1.00 74.54 C ATOM 234 CE LYS A 100 15.554 -4.343 -15.311 1.00 0.53 C ATOM 235 NZ LYS A 100 15.030 -5.312 -16.313 1.00 11.21 N1+ ATOM 0 H LYS A 100 14.914 -6.925 -12.108 1.00 11.05 H new ATOM 0 HA LYS A 100 16.389 -8.345 -14.040 1.00 40.42 H new ATOM 0 HB2 LYS A 100 16.941 -6.241 -11.961 1.00 73.52 H new ATOM 0 HB3 LYS A 100 18.308 -7.031 -12.721 1.00 73.52 H new ATOM 0 HG2 LYS A 100 17.996 -5.189 -14.103 1.00 14.42 H new ATOM 0 HG3 LYS A 100 17.123 -6.436 -14.972 1.00 14.42 H new ATOM 0 HD2 LYS A 100 15.023 -5.646 -13.690 1.00 74.54 H new ATOM 0 HD3 LYS A 100 15.970 -4.252 -13.207 1.00 74.54 H new ATOM 0 HE2 LYS A 100 14.823 -3.549 -15.158 1.00 0.53 H new ATOM 0 HE3 LYS A 100 16.458 -3.874 -15.698 1.00 0.53 H new ATOM 0 HZ1 LYS A 100 14.660 -4.795 -17.136 1.00 11.21 H new ATOM 0 HZ2 LYS A 100 15.797 -5.945 -16.618 1.00 11.21 H new ATOM 0 HZ3 LYS A 100 14.266 -5.874 -15.886 1.00 11.21 H new ATOM 249 N ALA A 101 16.712 -9.366 -10.963 1.00 55.34 N ATOM 250 CA ALA A 101 17.277 -10.410 -10.117 1.00 52.53 C ATOM 251 C ALA A 101 17.097 -11.786 -10.749 1.00 52.15 C ATOM 252 O ALA A 101 18.019 -12.602 -10.757 1.00 73.43 O ATOM 253 CB ALA A 101 16.642 -10.373 -8.735 1.00 21.20 C ATOM 0 H ALA A 101 15.991 -8.802 -10.512 1.00 55.34 H new ATOM 0 HA ALA A 101 18.346 -10.223 -10.017 1.00 52.53 H new ATOM 0 HB1 ALA A 101 17.074 -11.158 -8.115 1.00 21.20 H new ATOM 0 HB2 ALA A 101 16.829 -9.403 -8.275 1.00 21.20 H new ATOM 0 HB3 ALA A 101 15.567 -10.531 -8.824 1.00 21.20 H new ATOM 259 N TYR A 102 15.904 -12.037 -11.275 1.00 21.11 N ATOM 260 CA TYR A 102 15.602 -13.317 -11.907 1.00 31.20 C ATOM 261 C TYR A 102 16.590 -13.618 -13.030 1.00 54.12 C ATOM 262 O TYR A 102 16.944 -14.773 -13.266 1.00 14.45 O ATOM 263 CB TYR A 102 14.174 -13.314 -12.456 1.00 13.11 C ATOM 264 CG TYR A 102 13.124 -13.001 -11.413 1.00 64.12 C ATOM 265 CD1 TYR A 102 12.978 -13.797 -10.285 1.00 62.33 C ATOM 266 CD2 TYR A 102 12.281 -11.906 -11.558 1.00 0.35 C ATOM 267 CE1 TYR A 102 12.020 -13.515 -9.331 1.00 42.33 C ATOM 268 CE2 TYR A 102 11.320 -11.615 -10.607 1.00 40.03 C ATOM 269 CZ TYR A 102 11.194 -12.422 -9.497 1.00 31.20 C ATOM 270 OH TYR A 102 10.240 -12.137 -8.547 1.00 20.33 O ATOM 0 H TYR A 102 15.130 -11.372 -11.277 1.00 21.11 H new ATOM 0 HA TYR A 102 15.692 -14.097 -11.151 1.00 31.20 H new ATOM 0 HB2 TYR A 102 14.105 -12.582 -13.260 1.00 13.11 H new ATOM 0 HB3 TYR A 102 13.960 -14.289 -12.894 1.00 13.11 H new ATOM 0 HD1 TYR A 102 13.625 -14.652 -10.151 1.00 62.33 H new ATOM 0 HD2 TYR A 102 12.378 -11.272 -12.427 1.00 0.35 H new ATOM 0 HE1 TYR A 102 11.918 -14.146 -8.460 1.00 42.33 H new ATOM 0 HE2 TYR A 102 10.672 -10.760 -10.733 1.00 40.03 H new ATOM 0 HH TYR A 102 10.669 -12.042 -7.671 1.00 20.33 H new ATOM 280 N GLU A 103 17.032 -12.569 -13.717 1.00 1.02 N ATOM 281 CA GLU A 103 17.979 -12.721 -14.815 1.00 60.41 C ATOM 282 C GLU A 103 19.252 -13.420 -14.343 1.00 12.44 C ATOM 283 O GLU A 103 19.949 -14.060 -15.130 1.00 10.12 O ATOM 284 CB GLU A 103 18.325 -11.355 -15.412 1.00 65.01 C ATOM 285 CG GLU A 103 18.239 -11.315 -16.928 1.00 0.13 C ATOM 286 CD GLU A 103 19.229 -10.343 -17.542 1.00 52.23 C ATOM 287 OE1 GLU A 103 19.076 -9.123 -17.321 1.00 62.03 O ATOM 288 OE2 GLU A 103 20.155 -10.801 -18.243 1.00 20.11 O1- ATOM 0 H GLU A 103 16.750 -11.606 -13.533 1.00 1.02 H new ATOM 0 HA GLU A 103 17.510 -13.337 -15.583 1.00 60.41 H new ATOM 0 HB2 GLU A 103 17.650 -10.605 -14.998 1.00 65.01 H new ATOM 0 HB3 GLU A 103 19.334 -11.079 -15.106 1.00 65.01 H new ATOM 0 HG2 GLU A 103 18.422 -12.313 -17.325 1.00 0.13 H new ATOM 0 HG3 GLU A 103 17.228 -11.034 -17.224 1.00 0.13 H new ATOM 295 N ASP A 104 19.547 -13.291 -13.055 1.00 24.32 N ATOM 296 CA ASP A 104 20.734 -13.908 -12.476 1.00 22.21 C ATOM 297 C ASP A 104 20.397 -15.264 -11.865 1.00 53.01 C ATOM 298 O ASP A 104 21.130 -15.772 -11.015 1.00 74.24 O ATOM 299 CB ASP A 104 21.346 -12.993 -11.414 1.00 44.00 C ATOM 300 CG ASP A 104 22.796 -13.328 -11.128 1.00 42.43 C ATOM 301 OD1 ASP A 104 23.544 -13.598 -12.091 1.00 63.21 O1- ATOM 302 OD2 ASP A 104 23.184 -13.320 -9.941 1.00 73.33 O ATOM 0 H ASP A 104 18.980 -12.764 -12.391 1.00 24.32 H new ATOM 0 HA ASP A 104 21.461 -14.059 -13.274 1.00 22.21 H new ATOM 0 HB2 ASP A 104 21.274 -11.957 -11.746 1.00 44.00 H new ATOM 0 HB3 ASP A 104 20.769 -13.074 -10.493 1.00 44.00 H new ATOM 307 N ALA A 105 19.285 -15.845 -12.302 1.00 63.33 N ATOM 308 CA ALA A 105 18.852 -17.143 -11.797 1.00 75.23 C ATOM 309 C ALA A 105 18.631 -17.100 -10.289 1.00 40.43 C ATOM 310 O ALA A 105 18.921 -18.066 -9.583 1.00 42.15 O ATOM 311 CB ALA A 105 19.872 -18.214 -12.154 1.00 34.51 C ATOM 0 H ALA A 105 18.667 -15.438 -13.004 1.00 63.33 H new ATOM 0 HA ALA A 105 17.901 -17.391 -12.269 1.00 75.23 H new ATOM 0 HB1 ALA A 105 19.537 -19.178 -11.771 1.00 34.51 H new ATOM 0 HB2 ALA A 105 19.976 -18.270 -13.238 1.00 34.51 H new ATOM 0 HB3 ALA A 105 20.835 -17.962 -11.709 1.00 34.51 H new ATOM 317 N GLU A 106 18.119 -15.974 -9.803 1.00 74.03 N ATOM 318 CA GLU A 106 17.862 -15.807 -8.377 1.00 75.25 C ATOM 319 C GLU A 106 16.837 -16.826 -7.886 1.00 23.20 C ATOM 320 O GLU A 106 15.995 -17.295 -8.651 1.00 54.54 O ATOM 321 CB GLU A 106 17.366 -14.388 -8.089 1.00 21.20 C ATOM 322 CG GLU A 106 17.562 -13.956 -6.645 1.00 43.42 C ATOM 323 CD GLU A 106 16.623 -12.838 -6.238 1.00 0.21 C ATOM 324 OE1 GLU A 106 15.434 -12.895 -6.614 1.00 14.12 O1- ATOM 325 OE2 GLU A 106 17.079 -11.904 -5.545 1.00 44.33 O ATOM 0 H GLU A 106 17.874 -15.165 -10.374 1.00 74.03 H new ATOM 0 HA GLU A 106 18.798 -15.973 -7.843 1.00 75.25 H new ATOM 0 HB2 GLU A 106 17.889 -13.690 -8.742 1.00 21.20 H new ATOM 0 HB3 GLU A 106 16.307 -14.325 -8.338 1.00 21.20 H new ATOM 0 HG2 GLU A 106 17.407 -14.813 -5.989 1.00 43.42 H new ATOM 0 HG3 GLU A 106 18.592 -13.629 -6.504 1.00 43.42 H new ATOM 332 N THR A 107 16.917 -17.163 -6.603 1.00 4.24 N ATOM 333 CA THR A 107 15.998 -18.128 -6.008 1.00 44.41 C ATOM 334 C THR A 107 14.803 -17.427 -5.371 1.00 60.01 C ATOM 335 O THR A 107 14.920 -16.306 -4.876 1.00 43.33 O ATOM 336 CB THR A 107 16.702 -18.990 -4.943 1.00 43.42 C ATOM 337 OG1 THR A 107 17.041 -18.187 -3.807 1.00 2.32 O ATOM 338 CG2 THR A 107 17.959 -19.632 -5.510 1.00 72.55 C ATOM 0 H THR A 107 17.608 -16.783 -5.956 1.00 4.24 H new ATOM 0 HA THR A 107 15.650 -18.773 -6.814 1.00 44.41 H new ATOM 0 HB THR A 107 16.016 -19.780 -4.637 1.00 43.42 H new ATOM 0 HG1 THR A 107 17.486 -18.743 -3.134 1.00 2.32 H new ATOM 0 HG21 THR A 107 18.439 -20.236 -4.739 1.00 72.55 H new ATOM 0 HG22 THR A 107 17.694 -20.267 -6.355 1.00 72.55 H new ATOM 0 HG23 THR A 107 18.647 -18.854 -5.842 1.00 72.55 H new ATOM 346 N VAL A 108 13.655 -18.097 -5.385 1.00 20.54 N ATOM 347 CA VAL A 108 12.438 -17.539 -4.806 1.00 41.44 C ATOM 348 C VAL A 108 11.862 -18.465 -3.741 1.00 71.21 C ATOM 349 O VAL A 108 12.288 -19.613 -3.603 1.00 42.35 O ATOM 350 CB VAL A 108 11.368 -17.287 -5.885 1.00 65.54 C ATOM 351 CG1 VAL A 108 11.734 -16.075 -6.728 1.00 22.45 C ATOM 352 CG2 VAL A 108 11.191 -18.520 -6.758 1.00 1.14 C ATOM 0 H VAL A 108 13.542 -19.026 -5.791 1.00 20.54 H new ATOM 0 HA VAL A 108 12.712 -16.589 -4.348 1.00 41.44 H new ATOM 0 HB VAL A 108 10.419 -17.081 -5.389 1.00 65.54 H new ATOM 0 HG11 VAL A 108 10.966 -15.913 -7.485 1.00 22.45 H new ATOM 0 HG12 VAL A 108 11.805 -15.195 -6.089 1.00 22.45 H new ATOM 0 HG13 VAL A 108 12.693 -16.247 -7.216 1.00 22.45 H new ATOM 0 HG21 VAL A 108 10.431 -18.324 -7.515 1.00 1.14 H new ATOM 0 HG22 VAL A 108 12.136 -18.759 -7.246 1.00 1.14 H new ATOM 0 HG23 VAL A 108 10.879 -19.362 -6.140 1.00 1.14 H new ATOM 362 N THR A 109 10.890 -17.959 -2.988 1.00 0.35 N ATOM 363 CA THR A 109 10.255 -18.740 -1.934 1.00 72.43 C ATOM 364 C THR A 109 8.782 -18.375 -1.791 1.00 62.13 C ATOM 365 O THR A 109 8.442 -17.233 -1.484 1.00 25.51 O ATOM 366 CB THR A 109 10.957 -18.532 -0.579 1.00 21.55 C ATOM 367 OG1 THR A 109 11.633 -17.268 -0.567 1.00 40.31 O ATOM 368 CG2 THR A 109 11.956 -19.648 -0.309 1.00 24.53 C ATOM 0 H THR A 109 10.526 -17.012 -3.089 1.00 0.35 H new ATOM 0 HA THR A 109 10.341 -19.788 -2.222 1.00 72.43 H new ATOM 0 HB THR A 109 10.199 -18.547 0.204 1.00 21.55 H new ATOM 0 HG1 THR A 109 12.076 -17.142 0.298 1.00 40.31 H new ATOM 0 HG21 THR A 109 12.439 -19.479 0.653 1.00 24.53 H new ATOM 0 HG22 THR A 109 11.436 -20.606 -0.291 1.00 24.53 H new ATOM 0 HG23 THR A 109 12.710 -19.660 -1.096 1.00 24.53 H new ATOM 376 N GLY A 110 7.910 -19.355 -2.015 1.00 43.33 N ATOM 377 CA GLY A 110 6.483 -19.115 -1.905 1.00 13.05 C ATOM 378 C GLY A 110 5.713 -20.366 -1.531 1.00 3.55 C ATOM 379 O GLY A 110 6.128 -21.480 -1.852 1.00 41.25 O ATOM 0 H GLY A 110 8.166 -20.309 -2.270 1.00 43.33 H new ATOM 0 HA2 GLY A 110 6.304 -18.344 -1.156 1.00 13.05 H new ATOM 0 HA3 GLY A 110 6.108 -18.731 -2.854 1.00 13.05 H new ATOM 383 N VAL A 111 4.588 -20.184 -0.847 1.00 54.30 N ATOM 384 CA VAL A 111 3.757 -21.307 -0.427 1.00 20.01 C ATOM 385 C VAL A 111 2.551 -21.473 -1.345 1.00 45.43 C ATOM 386 O VAL A 111 1.933 -20.490 -1.756 1.00 13.55 O ATOM 387 CB VAL A 111 3.266 -21.131 1.022 1.00 12.42 C ATOM 388 CG1 VAL A 111 2.321 -19.943 1.126 1.00 14.12 C ATOM 389 CG2 VAL A 111 2.592 -22.403 1.514 1.00 40.44 C ATOM 0 H VAL A 111 4.231 -19.269 -0.572 1.00 54.30 H new ATOM 0 HA VAL A 111 4.379 -22.200 -0.486 1.00 20.01 H new ATOM 0 HB VAL A 111 4.129 -20.935 1.658 1.00 12.42 H new ATOM 0 HG11 VAL A 111 1.985 -19.835 2.157 1.00 14.12 H new ATOM 0 HG12 VAL A 111 2.841 -19.036 0.817 1.00 14.12 H new ATOM 0 HG13 VAL A 111 1.459 -20.106 0.479 1.00 14.12 H new ATOM 0 HG21 VAL A 111 2.251 -22.261 2.540 1.00 40.44 H new ATOM 0 HG22 VAL A 111 1.738 -22.632 0.876 1.00 40.44 H new ATOM 0 HG23 VAL A 111 3.303 -23.228 1.479 1.00 40.44 H new ATOM 399 N ILE A 112 2.221 -22.721 -1.659 1.00 15.31 N ATOM 400 CA ILE A 112 1.088 -23.014 -2.528 1.00 63.34 C ATOM 401 C ILE A 112 -0.215 -22.503 -1.921 1.00 32.02 C ATOM 402 O ILE A 112 -0.640 -22.960 -0.861 1.00 22.02 O ATOM 403 CB ILE A 112 0.959 -24.525 -2.794 1.00 73.40 C ATOM 404 CG1 ILE A 112 2.243 -25.065 -3.428 1.00 51.40 C ATOM 405 CG2 ILE A 112 -0.239 -24.806 -3.689 1.00 51.04 C ATOM 406 CD1 ILE A 112 3.148 -25.776 -2.447 1.00 44.52 C ATOM 0 H ILE A 112 2.721 -23.545 -1.325 1.00 15.31 H new ATOM 0 HA ILE A 112 1.273 -22.502 -3.472 1.00 63.34 H new ATOM 0 HB ILE A 112 0.804 -25.034 -1.843 1.00 73.40 H new ATOM 0 HG12 ILE A 112 1.980 -25.753 -4.232 1.00 51.40 H new ATOM 0 HG13 ILE A 112 2.790 -24.239 -3.882 1.00 51.40 H new ATOM 0 HG21 ILE A 112 -0.316 -25.879 -3.867 1.00 51.04 H new ATOM 0 HG22 ILE A 112 -1.148 -24.453 -3.202 1.00 51.04 H new ATOM 0 HG23 ILE A 112 -0.112 -24.288 -4.640 1.00 51.04 H new ATOM 0 HD11 ILE A 112 4.038 -26.132 -2.965 1.00 44.52 H new ATOM 0 HD12 ILE A 112 3.441 -25.086 -1.656 1.00 44.52 H new ATOM 0 HD13 ILE A 112 2.618 -26.623 -2.012 1.00 44.52 H new ATOM 418 N ASN A 113 -0.847 -21.553 -2.604 1.00 70.02 N ATOM 419 CA ASN A 113 -2.103 -20.980 -2.134 1.00 33.21 C ATOM 420 C ASN A 113 -3.293 -21.638 -2.826 1.00 62.31 C ATOM 421 O ASN A 113 -4.282 -21.988 -2.184 1.00 53.33 O ATOM 422 CB ASN A 113 -2.124 -19.471 -2.381 1.00 33.10 C ATOM 423 CG ASN A 113 -3.343 -18.803 -1.776 1.00 43.33 C ATOM 424 OD1 ASN A 113 -3.943 -19.318 -0.832 1.00 34.24 O ATOM 425 ND2 ASN A 113 -3.716 -17.650 -2.319 1.00 44.13 N ATOM 0 H ASN A 113 -0.510 -21.164 -3.485 1.00 70.02 H new ATOM 0 HA ASN A 113 -2.180 -21.166 -1.063 1.00 33.21 H new ATOM 0 HB2 ASN A 113 -1.223 -19.024 -1.961 1.00 33.10 H new ATOM 0 HB3 ASN A 113 -2.104 -19.281 -3.454 1.00 33.10 H new ATOM 0 HD21 ASN A 113 -4.530 -17.154 -1.955 1.00 44.13 H new ATOM 0 HD22 ASN A 113 -3.189 -17.260 -3.100 1.00 44.13 H new ATOM 432 N GLY A 114 -3.190 -21.801 -4.142 1.00 13.12 N ATOM 433 CA GLY A 114 -4.263 -22.416 -4.900 1.00 74.52 C ATOM 434 C GLY A 114 -3.793 -23.606 -5.711 1.00 51.31 C ATOM 435 O GLY A 114 -2.622 -23.689 -6.085 1.00 72.15 O ATOM 0 H GLY A 114 -2.382 -21.518 -4.696 1.00 13.12 H new ATOM 0 HA2 GLY A 114 -5.050 -22.734 -4.216 1.00 74.52 H new ATOM 0 HA3 GLY A 114 -4.702 -21.675 -5.569 1.00 74.52 H new ATOM 439 N LYS A 115 -4.706 -24.532 -5.984 1.00 74.23 N ATOM 440 CA LYS A 115 -4.379 -25.725 -6.757 1.00 34.25 C ATOM 441 C LYS A 115 -5.290 -25.852 -7.973 1.00 42.21 C ATOM 442 O LYS A 115 -6.515 -25.851 -7.847 1.00 24.11 O ATOM 443 CB LYS A 115 -4.501 -26.974 -5.881 1.00 22.32 C ATOM 444 CG LYS A 115 -5.888 -27.170 -5.292 1.00 35.33 C ATOM 445 CD LYS A 115 -5.886 -28.225 -4.199 1.00 22.31 C ATOM 446 CE LYS A 115 -5.678 -29.620 -4.769 1.00 75.20 C ATOM 447 NZ LYS A 115 -6.949 -30.205 -5.278 1.00 11.23 N1+ ATOM 0 H LYS A 115 -5.679 -24.479 -5.681 1.00 74.23 H new ATOM 0 HA LYS A 115 -3.350 -25.632 -7.105 1.00 34.25 H new ATOM 0 HB2 LYS A 115 -4.240 -27.851 -6.474 1.00 22.32 H new ATOM 0 HB3 LYS A 115 -3.776 -26.911 -5.069 1.00 22.32 H new ATOM 0 HG2 LYS A 115 -6.249 -26.225 -4.886 1.00 35.33 H new ATOM 0 HG3 LYS A 115 -6.581 -27.463 -6.081 1.00 35.33 H new ATOM 0 HD2 LYS A 115 -5.097 -28.004 -3.480 1.00 22.31 H new ATOM 0 HD3 LYS A 115 -6.831 -28.190 -3.657 1.00 22.31 H new ATOM 0 HE2 LYS A 115 -4.948 -29.577 -5.578 1.00 75.20 H new ATOM 0 HE3 LYS A 115 -5.262 -30.269 -3.998 1.00 75.20 H new ATOM 0 HZ1 LYS A 115 -6.766 -31.156 -5.658 1.00 11.23 H new ATOM 0 HZ2 LYS A 115 -7.637 -30.270 -4.501 1.00 11.23 H new ATOM 0 HZ3 LYS A 115 -7.333 -29.599 -6.031 1.00 11.23 H new ATOM 461 N VAL A 116 -4.685 -25.964 -9.151 1.00 23.14 N ATOM 462 CA VAL A 116 -5.443 -26.095 -10.390 1.00 34.23 C ATOM 463 C VAL A 116 -5.421 -27.533 -10.898 1.00 0.13 C ATOM 464 O VAL A 116 -4.776 -28.401 -10.310 1.00 22.41 O ATOM 465 CB VAL A 116 -4.889 -25.166 -11.487 1.00 11.42 C ATOM 466 CG1 VAL A 116 -5.101 -23.708 -11.109 1.00 22.33 C ATOM 467 CG2 VAL A 116 -3.415 -25.453 -11.735 1.00 71.40 C ATOM 0 H VAL A 116 -3.672 -25.967 -9.274 1.00 23.14 H new ATOM 0 HA VAL A 116 -6.470 -25.808 -10.165 1.00 34.23 H new ATOM 0 HB VAL A 116 -5.433 -25.360 -12.411 1.00 11.42 H new ATOM 0 HG11 VAL A 116 -4.703 -23.067 -11.896 1.00 22.33 H new ATOM 0 HG12 VAL A 116 -6.167 -23.515 -10.987 1.00 22.33 H new ATOM 0 HG13 VAL A 116 -4.585 -23.496 -10.173 1.00 22.33 H new ATOM 0 HG21 VAL A 116 -3.041 -24.788 -12.513 1.00 71.40 H new ATOM 0 HG22 VAL A 116 -2.853 -25.289 -10.816 1.00 71.40 H new ATOM 0 HG23 VAL A 116 -3.295 -26.488 -12.054 1.00 71.40 H new ATOM 477 N LYS A 117 -6.129 -27.777 -11.995 1.00 32.33 N ATOM 478 CA LYS A 117 -6.191 -29.109 -12.585 1.00 42.33 C ATOM 479 C LYS A 117 -4.808 -29.569 -13.034 1.00 14.34 C ATOM 480 O LYS A 117 -4.369 -29.260 -14.142 1.00 60.05 O ATOM 481 CB LYS A 117 -7.154 -29.118 -13.775 1.00 61.43 C ATOM 482 CG LYS A 117 -8.611 -28.958 -13.378 1.00 62.31 C ATOM 483 CD LYS A 117 -9.491 -28.680 -14.585 1.00 13.11 C ATOM 484 CE LYS A 117 -10.967 -28.783 -14.235 1.00 34.15 C ATOM 485 NZ LYS A 117 -11.786 -29.205 -15.405 1.00 72.03 N1+ ATOM 0 H LYS A 117 -6.668 -27.069 -12.494 1.00 32.33 H new ATOM 0 HA LYS A 117 -6.556 -29.800 -11.825 1.00 42.33 H new ATOM 0 HB2 LYS A 117 -6.882 -28.314 -14.458 1.00 61.43 H new ATOM 0 HB3 LYS A 117 -7.035 -30.054 -14.321 1.00 61.43 H new ATOM 0 HG2 LYS A 117 -8.954 -29.863 -12.877 1.00 62.31 H new ATOM 0 HG3 LYS A 117 -8.706 -28.142 -12.662 1.00 62.31 H new ATOM 0 HD2 LYS A 117 -9.276 -27.684 -14.971 1.00 13.11 H new ATOM 0 HD3 LYS A 117 -9.254 -29.388 -15.380 1.00 13.11 H new ATOM 0 HE2 LYS A 117 -11.099 -29.498 -13.423 1.00 34.15 H new ATOM 0 HE3 LYS A 117 -11.322 -27.819 -13.872 1.00 34.15 H new ATOM 0 HZ1 LYS A 117 -12.786 -29.264 -15.126 1.00 72.03 H new ATOM 0 HZ2 LYS A 117 -11.681 -28.510 -16.171 1.00 72.03 H new ATOM 0 HZ3 LYS A 117 -11.464 -30.137 -15.736 1.00 72.03 H new ATOM 499 N GLY A 118 -4.126 -30.312 -12.168 1.00 2.22 N ATOM 500 CA GLY A 118 -2.801 -30.804 -12.495 1.00 23.52 C ATOM 501 C GLY A 118 -1.705 -29.844 -12.076 1.00 73.33 C ATOM 502 O GLY A 118 -0.630 -30.264 -11.653 1.00 53.41 O ATOM 0 H GLY A 118 -4.468 -30.582 -11.246 1.00 2.22 H new ATOM 0 HA2 GLY A 118 -2.643 -31.766 -12.007 1.00 23.52 H new ATOM 0 HA3 GLY A 118 -2.736 -30.978 -13.569 1.00 23.52 H new ATOM 506 N GLY A 119 -1.979 -28.548 -12.197 1.00 73.01 N ATOM 507 CA GLY A 119 -0.998 -27.545 -11.825 1.00 40.10 C ATOM 508 C GLY A 119 -1.155 -27.084 -10.389 1.00 3.33 C ATOM 509 O GLY A 119 -2.109 -27.463 -9.710 1.00 23.40 O ATOM 0 H GLY A 119 -2.862 -28.175 -12.546 1.00 73.01 H new ATOM 0 HA2 GLY A 119 0.004 -27.951 -11.965 1.00 40.10 H new ATOM 0 HA3 GLY A 119 -1.090 -26.687 -12.491 1.00 40.10 H new ATOM 513 N PHE A 120 -0.216 -26.266 -9.926 1.00 21.13 N ATOM 514 CA PHE A 120 -0.254 -25.754 -8.561 1.00 73.13 C ATOM 515 C PHE A 120 0.236 -24.310 -8.507 1.00 33.45 C ATOM 516 O PHE A 120 1.384 -24.018 -8.844 1.00 42.12 O ATOM 517 CB PHE A 120 0.602 -26.629 -7.643 1.00 45.15 C ATOM 518 CG PHE A 120 -0.163 -27.750 -6.998 1.00 10.53 C ATOM 519 CD1 PHE A 120 -1.054 -27.495 -5.969 1.00 40.45 C ATOM 520 CD2 PHE A 120 0.011 -29.058 -7.422 1.00 41.15 C ATOM 521 CE1 PHE A 120 -1.759 -28.524 -5.373 1.00 33.12 C ATOM 522 CE2 PHE A 120 -0.694 -30.090 -6.832 1.00 24.30 C ATOM 523 CZ PHE A 120 -1.578 -29.824 -5.805 1.00 54.21 C ATOM 0 H PHE A 120 0.580 -25.943 -10.476 1.00 21.13 H new ATOM 0 HA PHE A 120 -1.288 -25.781 -8.218 1.00 73.13 H new ATOM 0 HB2 PHE A 120 1.427 -27.047 -8.219 1.00 45.15 H new ATOM 0 HB3 PHE A 120 1.041 -26.005 -6.865 1.00 45.15 H new ATOM 0 HD1 PHE A 120 -1.200 -26.481 -5.628 1.00 40.45 H new ATOM 0 HD2 PHE A 120 0.705 -29.273 -8.222 1.00 41.15 H new ATOM 0 HE1 PHE A 120 -2.450 -28.312 -4.571 1.00 33.12 H new ATOM 0 HE2 PHE A 120 -0.554 -31.105 -7.174 1.00 24.30 H new ATOM 0 HZ PHE A 120 -2.127 -30.630 -5.341 1.00 54.21 H new ATOM 533 N THR A 121 -0.644 -23.409 -8.082 1.00 3.13 N ATOM 534 CA THR A 121 -0.303 -21.995 -7.986 1.00 4.13 C ATOM 535 C THR A 121 0.385 -21.684 -6.661 1.00 21.42 C ATOM 536 O THR A 121 0.142 -22.348 -5.654 1.00 71.30 O ATOM 537 CB THR A 121 -1.552 -21.105 -8.124 1.00 11.34 C ATOM 538 OG1 THR A 121 -2.393 -21.260 -6.975 1.00 20.12 O ATOM 539 CG2 THR A 121 -2.332 -21.460 -9.381 1.00 43.11 C ATOM 0 H THR A 121 -1.598 -23.633 -7.799 1.00 3.13 H new ATOM 0 HA THR A 121 0.381 -21.779 -8.807 1.00 4.13 H new ATOM 0 HB THR A 121 -1.226 -20.067 -8.198 1.00 11.34 H new ATOM 0 HG1 THR A 121 -2.191 -22.112 -6.534 1.00 20.12 H new ATOM 0 HG21 THR A 121 -3.210 -20.819 -9.458 1.00 43.11 H new ATOM 0 HG22 THR A 121 -1.698 -21.314 -10.256 1.00 43.11 H new ATOM 0 HG23 THR A 121 -2.647 -22.502 -9.331 1.00 43.11 H new ATOM 547 N VAL A 122 1.244 -20.670 -6.669 1.00 12.32 N ATOM 548 CA VAL A 122 1.965 -20.269 -5.467 1.00 62.52 C ATOM 549 C VAL A 122 2.042 -18.751 -5.352 1.00 11.44 C ATOM 550 O VAL A 122 2.272 -18.055 -6.340 1.00 22.11 O ATOM 551 CB VAL A 122 3.393 -20.847 -5.450 1.00 61.21 C ATOM 552 CG1 VAL A 122 4.129 -20.415 -4.192 1.00 4.33 C ATOM 553 CG2 VAL A 122 3.354 -22.363 -5.562 1.00 4.41 C ATOM 0 H VAL A 122 1.458 -20.111 -7.495 1.00 12.32 H new ATOM 0 HA VAL A 122 1.409 -20.667 -4.618 1.00 62.52 H new ATOM 0 HB VAL A 122 3.936 -20.456 -6.311 1.00 61.21 H new ATOM 0 HG11 VAL A 122 5.136 -20.833 -4.198 1.00 4.33 H new ATOM 0 HG12 VAL A 122 4.188 -19.327 -4.160 1.00 4.33 H new ATOM 0 HG13 VAL A 122 3.592 -20.775 -3.314 1.00 4.33 H new ATOM 0 HG21 VAL A 122 4.371 -22.755 -5.549 1.00 4.41 H new ATOM 0 HG22 VAL A 122 2.795 -22.776 -4.722 1.00 4.41 H new ATOM 0 HG23 VAL A 122 2.868 -22.646 -6.496 1.00 4.41 H new ATOM 563 N GLU A 123 1.847 -18.244 -4.139 1.00 1.41 N ATOM 564 CA GLU A 123 1.894 -16.807 -3.895 1.00 24.31 C ATOM 565 C GLU A 123 3.302 -16.367 -3.507 1.00 24.33 C ATOM 566 O GLU A 123 3.723 -16.531 -2.362 1.00 63.43 O ATOM 567 CB GLU A 123 0.905 -16.422 -2.793 1.00 10.44 C ATOM 568 CG GLU A 123 0.941 -14.946 -2.432 1.00 13.44 C ATOM 569 CD GLU A 123 -0.141 -14.561 -1.442 1.00 44.22 C ATOM 570 OE1 GLU A 123 -0.730 -15.471 -0.822 1.00 5.32 O ATOM 571 OE2 GLU A 123 -0.398 -13.349 -1.286 1.00 14.32 O1- ATOM 0 H GLU A 123 1.655 -18.807 -3.310 1.00 1.41 H new ATOM 0 HA GLU A 123 1.615 -16.298 -4.818 1.00 24.31 H new ATOM 0 HB2 GLU A 123 -0.103 -16.685 -3.113 1.00 10.44 H new ATOM 0 HB3 GLU A 123 1.120 -17.011 -1.901 1.00 10.44 H new ATOM 0 HG2 GLU A 123 1.917 -14.702 -2.011 1.00 13.44 H new ATOM 0 HG3 GLU A 123 0.827 -14.351 -3.338 1.00 13.44 H new ATOM 578 N LEU A 124 4.027 -15.808 -4.471 1.00 13.23 N ATOM 579 CA LEU A 124 5.389 -15.344 -4.231 1.00 3.34 C ATOM 580 C LEU A 124 5.398 -13.883 -3.792 1.00 14.51 C ATOM 581 O LEU A 124 5.626 -12.983 -4.599 1.00 51.32 O ATOM 582 CB LEU A 124 6.236 -15.513 -5.494 1.00 74.20 C ATOM 583 CG LEU A 124 7.017 -16.823 -5.608 1.00 25.45 C ATOM 584 CD1 LEU A 124 7.773 -16.880 -6.925 1.00 35.05 C ATOM 585 CD2 LEU A 124 7.975 -16.975 -4.435 1.00 14.43 C ATOM 0 H LEU A 124 3.694 -15.665 -5.425 1.00 13.23 H new ATOM 0 HA LEU A 124 5.816 -15.948 -3.430 1.00 3.34 H new ATOM 0 HB2 LEU A 124 5.581 -15.427 -6.361 1.00 74.20 H new ATOM 0 HB3 LEU A 124 6.944 -14.686 -5.546 1.00 74.20 H new ATOM 0 HG LEU A 124 6.308 -17.650 -5.583 1.00 25.45 H new ATOM 0 HD11 LEU A 124 8.323 -17.819 -6.989 1.00 35.05 H new ATOM 0 HD12 LEU A 124 7.067 -16.816 -7.753 1.00 35.05 H new ATOM 0 HD13 LEU A 124 8.472 -16.046 -6.980 1.00 35.05 H new ATOM 0 HD21 LEU A 124 8.523 -17.912 -4.532 1.00 14.43 H new ATOM 0 HD22 LEU A 124 8.679 -16.142 -4.430 1.00 14.43 H new ATOM 0 HD23 LEU A 124 7.411 -16.979 -3.502 1.00 14.43 H new ATOM 597 N ASN A 125 5.149 -13.656 -2.505 1.00 42.42 N ATOM 598 CA ASN A 125 5.130 -12.304 -1.958 1.00 23.03 C ATOM 599 C ASN A 125 4.415 -11.344 -2.904 1.00 71.21 C ATOM 600 O ASN A 125 4.950 -10.296 -3.262 1.00 12.11 O ATOM 601 CB ASN A 125 6.557 -11.815 -1.700 1.00 41.54 C ATOM 602 CG ASN A 125 7.409 -11.829 -2.955 1.00 2.20 C ATOM 603 OD1 ASN A 125 8.114 -12.932 -3.179 1.00 61.54 O flip ATOM 604 ND2 ASN A 125 7.431 -10.859 -3.713 1.00 75.40 N flip ATOM 0 H ASN A 125 4.958 -14.390 -1.823 1.00 42.42 H new ATOM 0 HA ASN A 125 4.585 -12.329 -1.014 1.00 23.03 H new ATOM 0 HB2 ASN A 125 6.524 -10.802 -1.298 1.00 41.54 H new ATOM 0 HB3 ASN A 125 7.022 -12.444 -0.941 1.00 41.54 H new ATOM 0 HD21 ASN A 125 6.872 -10.033 -3.500 1.00 75.40 H new ATOM 0 HD22 ASN A 125 8.008 -10.882 -4.554 1.00 75.40 H new ATOM 611 N GLY A 126 3.202 -11.711 -3.306 1.00 44.14 N ATOM 612 CA GLY A 126 2.433 -10.872 -4.206 1.00 71.51 C ATOM 613 C GLY A 126 2.420 -11.404 -5.626 1.00 14.11 C ATOM 614 O GLY A 126 1.428 -11.261 -6.340 1.00 40.40 O ATOM 0 H GLY A 126 2.738 -12.575 -3.024 1.00 44.14 H new ATOM 0 HA2 GLY A 126 1.409 -10.796 -3.841 1.00 71.51 H new ATOM 0 HA3 GLY A 126 2.849 -9.864 -4.203 1.00 71.51 H new ATOM 618 N ILE A 127 3.525 -12.018 -6.036 1.00 22.22 N ATOM 619 CA ILE A 127 3.636 -12.572 -7.379 1.00 73.32 C ATOM 620 C ILE A 127 2.867 -13.885 -7.498 1.00 14.32 C ATOM 621 O ILE A 127 2.693 -14.604 -6.515 1.00 64.31 O ATOM 622 CB ILE A 127 5.107 -12.816 -7.768 1.00 24.54 C ATOM 623 CG1 ILE A 127 5.953 -11.583 -7.443 1.00 35.23 C ATOM 624 CG2 ILE A 127 5.213 -13.163 -9.245 1.00 3.54 C ATOM 625 CD1 ILE A 127 7.426 -11.769 -7.731 1.00 1.33 C ATOM 0 H ILE A 127 4.355 -12.144 -5.457 1.00 22.22 H new ATOM 0 HA ILE A 127 3.205 -11.838 -8.059 1.00 73.32 H new ATOM 0 HB ILE A 127 5.487 -13.658 -7.189 1.00 24.54 H new ATOM 0 HG12 ILE A 127 5.582 -10.736 -8.020 1.00 35.23 H new ATOM 0 HG13 ILE A 127 5.826 -11.332 -6.390 1.00 35.23 H new ATOM 0 HG21 ILE A 127 6.258 -13.333 -9.505 1.00 3.54 H new ATOM 0 HG22 ILE A 127 4.637 -14.066 -9.449 1.00 3.54 H new ATOM 0 HG23 ILE A 127 4.820 -12.340 -9.841 1.00 3.54 H new ATOM 0 HD11 ILE A 127 7.964 -10.856 -7.477 1.00 1.33 H new ATOM 0 HD12 ILE A 127 7.812 -12.596 -7.134 1.00 1.33 H new ATOM 0 HD13 ILE A 127 7.565 -11.990 -8.789 1.00 1.33 H new ATOM 637 N ARG A 128 2.410 -14.188 -8.709 1.00 34.50 N ATOM 638 CA ARG A 128 1.661 -15.414 -8.957 1.00 4.34 C ATOM 639 C ARG A 128 2.523 -16.440 -9.685 1.00 60.24 C ATOM 640 O ARG A 128 2.782 -16.311 -10.881 1.00 55.21 O ATOM 641 CB ARG A 128 0.405 -15.112 -9.777 1.00 35.11 C ATOM 642 CG ARG A 128 -0.809 -14.772 -8.930 1.00 21.23 C ATOM 643 CD ARG A 128 -1.979 -14.318 -9.789 1.00 73.51 C ATOM 644 NE ARG A 128 -1.844 -12.925 -10.205 1.00 62.14 N ATOM 645 CZ ARG A 128 -2.720 -12.303 -10.987 1.00 54.34 C ATOM 646 NH1 ARG A 128 -3.788 -12.948 -11.435 1.00 63.40 N1+ ATOM 647 NH2 ARG A 128 -2.528 -11.034 -11.323 1.00 13.12 N ATOM 0 H ARG A 128 2.545 -13.602 -9.533 1.00 34.50 H new ATOM 0 HA ARG A 128 1.366 -15.831 -7.994 1.00 4.34 H new ATOM 0 HB2 ARG A 128 0.612 -14.280 -10.450 1.00 35.11 H new ATOM 0 HB3 ARG A 128 0.172 -15.975 -10.400 1.00 35.11 H new ATOM 0 HG2 ARG A 128 -1.102 -15.644 -8.346 1.00 21.23 H new ATOM 0 HG3 ARG A 128 -0.550 -13.986 -8.221 1.00 21.23 H new ATOM 0 HD2 ARG A 128 -2.050 -14.955 -10.671 1.00 73.51 H new ATOM 0 HD3 ARG A 128 -2.907 -14.442 -9.232 1.00 73.51 H new ATOM 0 HE ARG A 128 -1.033 -12.401 -9.877 1.00 62.14 H new ATOM 0 HH11 ARG A 128 -3.939 -13.924 -11.180 1.00 63.40 H new ATOM 0 HH12 ARG A 128 -4.459 -12.468 -12.035 1.00 63.40 H new ATOM 0 HH21 ARG A 128 -1.707 -10.534 -10.981 1.00 13.12 H new ATOM 0 HH22 ARG A 128 -3.201 -10.558 -11.923 1.00 13.12 H new ATOM 661 N ALA A 129 2.964 -17.460 -8.955 1.00 23.11 N ATOM 662 CA ALA A 129 3.796 -18.510 -9.532 1.00 52.14 C ATOM 663 C ALA A 129 2.945 -19.677 -10.018 1.00 51.23 C ATOM 664 O ALA A 129 1.806 -19.853 -9.585 1.00 40.33 O ATOM 665 CB ALA A 129 4.821 -18.989 -8.515 1.00 63.52 C ATOM 0 H ALA A 129 2.759 -17.582 -7.963 1.00 23.11 H new ATOM 0 HA ALA A 129 4.321 -18.094 -10.392 1.00 52.14 H new ATOM 0 HB1 ALA A 129 5.435 -19.773 -8.959 1.00 63.52 H new ATOM 0 HB2 ALA A 129 5.456 -18.155 -8.218 1.00 63.52 H new ATOM 0 HB3 ALA A 129 4.307 -19.384 -7.639 1.00 63.52 H new ATOM 671 N PHE A 130 3.505 -20.474 -10.923 1.00 51.13 N ATOM 672 CA PHE A 130 2.797 -21.626 -11.471 1.00 11.43 C ATOM 673 C PHE A 130 3.693 -22.860 -11.481 1.00 70.34 C ATOM 674 O PHE A 130 4.799 -22.835 -12.021 1.00 70.32 O ATOM 675 CB PHE A 130 2.310 -21.324 -12.890 1.00 33.32 C ATOM 676 CG PHE A 130 1.137 -22.160 -13.313 1.00 74.44 C ATOM 677 CD1 PHE A 130 1.249 -23.539 -13.402 1.00 63.42 C ATOM 678 CD2 PHE A 130 -0.078 -21.570 -13.619 1.00 15.20 C ATOM 679 CE1 PHE A 130 0.170 -24.312 -13.790 1.00 15.24 C ATOM 680 CE2 PHE A 130 -1.160 -22.338 -14.006 1.00 51.42 C ATOM 681 CZ PHE A 130 -1.035 -23.711 -14.094 1.00 35.35 C ATOM 0 H PHE A 130 4.447 -20.343 -11.292 1.00 51.13 H new ATOM 0 HA PHE A 130 1.936 -21.829 -10.834 1.00 11.43 H new ATOM 0 HB2 PHE A 130 2.037 -20.271 -12.955 1.00 33.32 H new ATOM 0 HB3 PHE A 130 3.131 -21.485 -13.589 1.00 33.32 H new ATOM 0 HD1 PHE A 130 2.189 -24.015 -13.166 1.00 63.42 H new ATOM 0 HD2 PHE A 130 -0.181 -20.497 -13.554 1.00 15.20 H new ATOM 0 HE1 PHE A 130 0.270 -25.385 -13.855 1.00 15.24 H new ATOM 0 HE2 PHE A 130 -2.102 -21.865 -14.239 1.00 51.42 H new ATOM 0 HZ PHE A 130 -1.878 -24.313 -14.400 1.00 35.35 H new ATOM 691 N LEU A 131 3.207 -23.941 -10.879 1.00 42.32 N ATOM 692 CA LEU A 131 3.963 -25.186 -10.816 1.00 71.54 C ATOM 693 C LEU A 131 3.259 -26.289 -11.601 1.00 33.11 C ATOM 694 O LEU A 131 2.059 -26.520 -11.455 1.00 13.54 O ATOM 695 CB LEU A 131 4.151 -25.621 -9.361 1.00 3.45 C ATOM 696 CG LEU A 131 4.937 -24.657 -8.471 1.00 1.01 C ATOM 697 CD1 LEU A 131 4.629 -24.917 -7.003 1.00 72.14 C ATOM 698 CD2 LEU A 131 6.430 -24.785 -8.735 1.00 1.05 C ATOM 0 H LEU A 131 2.293 -23.979 -10.428 1.00 42.32 H new ATOM 0 HA LEU A 131 4.941 -25.011 -11.265 1.00 71.54 H new ATOM 0 HB2 LEU A 131 3.167 -25.773 -8.918 1.00 3.45 H new ATOM 0 HB3 LEU A 131 4.657 -26.586 -9.353 1.00 3.45 H new ATOM 0 HG LEU A 131 4.632 -23.638 -8.711 1.00 1.01 H new ATOM 0 HD11 LEU A 131 5.197 -24.222 -6.384 1.00 72.14 H new ATOM 0 HD12 LEU A 131 3.563 -24.775 -6.824 1.00 72.14 H new ATOM 0 HD13 LEU A 131 4.906 -25.940 -6.749 1.00 72.14 H new ATOM 0 HD21 LEU A 131 6.974 -24.092 -8.093 1.00 1.05 H new ATOM 0 HD22 LEU A 131 6.751 -25.805 -8.522 1.00 1.05 H new ATOM 0 HD23 LEU A 131 6.636 -24.550 -9.779 1.00 1.05 H new ATOM 710 N PRO A 132 4.024 -26.990 -12.452 1.00 44.13 N ATOM 711 CA PRO A 132 3.496 -28.083 -13.274 1.00 23.41 C ATOM 712 C PRO A 132 3.126 -29.308 -12.444 1.00 0.41 C ATOM 713 O PRO A 132 3.529 -29.430 -11.288 1.00 50.35 O ATOM 714 CB PRO A 132 4.655 -28.408 -14.220 1.00 2.04 C ATOM 715 CG PRO A 132 5.875 -27.967 -13.488 1.00 70.40 C ATOM 716 CD PRO A 132 5.462 -26.769 -12.677 1.00 11.23 C ATOM 0 HA PRO A 132 2.576 -27.799 -13.786 1.00 23.41 H new ATOM 0 HB2 PRO A 132 4.693 -29.473 -14.448 1.00 2.04 H new ATOM 0 HB3 PRO A 132 4.551 -27.882 -15.169 1.00 2.04 H new ATOM 0 HG2 PRO A 132 6.253 -28.762 -12.845 1.00 70.40 H new ATOM 0 HG3 PRO A 132 6.675 -27.711 -14.182 1.00 70.40 H new ATOM 0 HD2 PRO A 132 6.012 -26.711 -11.738 1.00 11.23 H new ATOM 0 HD3 PRO A 132 5.647 -25.838 -13.213 1.00 11.23 H new ATOM 724 N GLY A 133 2.358 -30.214 -13.042 1.00 51.13 N ATOM 725 CA GLY A 133 1.949 -31.417 -12.342 1.00 72.20 C ATOM 726 C GLY A 133 3.112 -32.343 -12.052 1.00 24.31 C ATOM 727 O GLY A 133 2.976 -33.304 -11.295 1.00 62.54 O ATOM 0 H GLY A 133 2.012 -30.136 -13.998 1.00 51.13 H new ATOM 0 HA2 GLY A 133 1.466 -31.142 -11.405 1.00 72.20 H new ATOM 0 HA3 GLY A 133 1.207 -31.947 -12.940 1.00 72.20 H new ATOM 731 N SER A 134 4.261 -32.055 -12.656 1.00 13.24 N ATOM 732 CA SER A 134 5.452 -32.873 -12.463 1.00 0.03 C ATOM 733 C SER A 134 5.863 -32.897 -10.994 1.00 14.21 C ATOM 734 O SER A 134 6.398 -33.892 -10.502 1.00 33.45 O ATOM 735 CB SER A 134 6.605 -32.344 -13.318 1.00 71.14 C ATOM 736 OG SER A 134 7.738 -33.190 -13.228 1.00 54.54 O ATOM 0 H SER A 134 4.392 -31.261 -13.283 1.00 13.24 H new ATOM 0 HA SER A 134 5.217 -33.891 -12.773 1.00 0.03 H new ATOM 0 HB2 SER A 134 6.286 -32.268 -14.357 1.00 71.14 H new ATOM 0 HB3 SER A 134 6.872 -31.339 -12.992 1.00 71.14 H new ATOM 0 HG SER A 134 8.460 -32.830 -13.785 1.00 54.54 H new ATOM 742 N LEU A 135 5.609 -31.794 -10.297 1.00 22.34 N ATOM 743 CA LEU A 135 5.951 -31.686 -8.884 1.00 71.02 C ATOM 744 C LEU A 135 4.724 -31.331 -8.052 1.00 43.52 C ATOM 745 O LEU A 135 4.795 -30.505 -7.142 1.00 62.30 O ATOM 746 CB LEU A 135 7.041 -30.632 -8.682 1.00 1.33 C ATOM 747 CG LEU A 135 6.624 -29.181 -8.922 1.00 35.31 C ATOM 748 CD1 LEU A 135 7.312 -28.257 -7.928 1.00 35.24 C ATOM 749 CD2 LEU A 135 6.941 -28.763 -10.350 1.00 24.21 C ATOM 0 H LEU A 135 5.167 -30.962 -10.688 1.00 22.34 H new ATOM 0 HA LEU A 135 6.324 -32.654 -8.551 1.00 71.02 H new ATOM 0 HB2 LEU A 135 7.416 -30.717 -7.662 1.00 1.33 H new ATOM 0 HB3 LEU A 135 7.872 -30.865 -9.348 1.00 1.33 H new ATOM 0 HG LEU A 135 5.547 -29.104 -8.774 1.00 35.31 H new ATOM 0 HD11 LEU A 135 7.003 -27.228 -8.114 1.00 35.24 H new ATOM 0 HD12 LEU A 135 7.033 -28.542 -6.913 1.00 35.24 H new ATOM 0 HD13 LEU A 135 8.393 -28.338 -8.044 1.00 35.24 H new ATOM 0 HD21 LEU A 135 6.637 -27.727 -10.502 1.00 24.21 H new ATOM 0 HD22 LEU A 135 8.012 -28.856 -10.527 1.00 24.21 H new ATOM 0 HD23 LEU A 135 6.401 -29.405 -11.046 1.00 24.21 H new ATOM 761 N VAL A 136 3.598 -31.961 -8.369 1.00 10.15 N ATOM 762 CA VAL A 136 2.354 -31.715 -7.648 1.00 65.54 C ATOM 763 C VAL A 136 2.559 -31.832 -6.142 1.00 40.25 C ATOM 764 O VAL A 136 2.055 -31.014 -5.372 1.00 34.33 O ATOM 765 CB VAL A 136 1.249 -32.695 -8.084 1.00 44.33 C ATOM 766 CG1 VAL A 136 0.506 -32.160 -9.298 1.00 72.44 C ATOM 767 CG2 VAL A 136 1.839 -34.068 -8.372 1.00 24.52 C ATOM 0 H VAL A 136 3.521 -32.646 -9.121 1.00 10.15 H new ATOM 0 HA VAL A 136 2.043 -30.699 -7.891 1.00 65.54 H new ATOM 0 HB VAL A 136 0.534 -32.795 -7.267 1.00 44.33 H new ATOM 0 HG11 VAL A 136 -0.270 -32.867 -9.590 1.00 72.44 H new ATOM 0 HG12 VAL A 136 0.050 -31.201 -9.052 1.00 72.44 H new ATOM 0 HG13 VAL A 136 1.205 -32.028 -10.123 1.00 72.44 H new ATOM 0 HG21 VAL A 136 1.045 -34.748 -8.679 1.00 24.52 H new ATOM 0 HG22 VAL A 136 2.576 -33.987 -9.171 1.00 24.52 H new ATOM 0 HG23 VAL A 136 2.320 -34.453 -7.473 1.00 24.52 H new ATOM 777 N ASP A 137 3.301 -32.854 -5.729 1.00 63.00 N ATOM 778 CA ASP A 137 3.574 -33.077 -4.315 1.00 72.00 C ATOM 779 C ASP A 137 4.452 -34.309 -4.119 1.00 1.41 C ATOM 780 O ASP A 137 4.074 -35.420 -4.494 1.00 33.31 O ATOM 781 CB ASP A 137 2.265 -33.240 -3.540 1.00 42.44 C ATOM 782 CG ASP A 137 1.327 -34.237 -4.192 1.00 44.32 C ATOM 783 OD1 ASP A 137 1.415 -35.438 -3.863 1.00 15.05 O ATOM 784 OD2 ASP A 137 0.503 -33.814 -5.029 1.00 53.44 O1- ATOM 0 H ASP A 137 3.724 -33.541 -6.354 1.00 63.00 H new ATOM 0 HA ASP A 137 4.108 -32.207 -3.932 1.00 72.00 H new ATOM 0 HB2 ASP A 137 2.486 -33.565 -2.523 1.00 42.44 H new ATOM 0 HB3 ASP A 137 1.768 -32.273 -3.465 1.00 42.44 H new ATOM 789 N VAL A 138 5.626 -34.106 -3.532 1.00 53.41 N ATOM 790 CA VAL A 138 6.558 -35.200 -3.286 1.00 15.53 C ATOM 791 C VAL A 138 6.110 -36.049 -2.102 1.00 1.43 C ATOM 792 O VAL A 138 5.654 -35.525 -1.086 1.00 34.11 O ATOM 793 CB VAL A 138 7.981 -34.676 -3.018 1.00 13.01 C ATOM 794 CG1 VAL A 138 8.022 -33.879 -1.723 1.00 11.43 C ATOM 795 CG2 VAL A 138 8.974 -35.828 -2.976 1.00 50.50 C ATOM 0 H VAL A 138 5.955 -33.193 -3.217 1.00 53.41 H new ATOM 0 HA VAL A 138 6.568 -35.814 -4.186 1.00 15.53 H new ATOM 0 HB VAL A 138 8.264 -34.012 -3.834 1.00 13.01 H new ATOM 0 HG11 VAL A 138 9.036 -33.517 -1.551 1.00 11.43 H new ATOM 0 HG12 VAL A 138 7.341 -33.031 -1.796 1.00 11.43 H new ATOM 0 HG13 VAL A 138 7.719 -34.517 -0.893 1.00 11.43 H new ATOM 0 HG21 VAL A 138 9.974 -35.439 -2.786 1.00 50.50 H new ATOM 0 HG22 VAL A 138 8.696 -36.519 -2.180 1.00 50.50 H new ATOM 0 HG23 VAL A 138 8.964 -36.352 -3.932 1.00 50.50 H new ATOM 805 N ARG A 139 6.243 -37.364 -2.240 1.00 35.25 N ATOM 806 CA ARG A 139 5.851 -38.287 -1.182 1.00 31.31 C ATOM 807 C ARG A 139 4.360 -38.167 -0.881 1.00 33.22 C ATOM 808 O ARG A 139 3.949 -37.587 0.124 1.00 64.02 O ATOM 809 CB ARG A 139 6.662 -38.016 0.087 1.00 30.13 C ATOM 810 CG ARG A 139 7.885 -38.905 0.230 1.00 20.12 C ATOM 811 CD ARG A 139 8.657 -38.591 1.502 1.00 14.14 C ATOM 812 NE ARG A 139 8.018 -39.160 2.685 1.00 54.24 N ATOM 813 CZ ARG A 139 8.448 -38.950 3.924 1.00 72.02 C ATOM 814 NH1 ARG A 139 9.511 -38.188 4.141 1.00 5.33 N1+ ATOM 815 NH2 ARG A 139 7.813 -39.503 4.951 1.00 4.43 N ATOM 0 H ARG A 139 6.619 -37.814 -3.074 1.00 35.25 H new ATOM 0 HA ARG A 139 6.054 -39.301 -1.525 1.00 31.31 H new ATOM 0 HB2 ARG A 139 6.979 -36.973 0.089 1.00 30.13 H new ATOM 0 HB3 ARG A 139 6.019 -38.155 0.956 1.00 30.13 H new ATOM 0 HG2 ARG A 139 7.577 -39.951 0.239 1.00 20.12 H new ATOM 0 HG3 ARG A 139 8.536 -38.772 -0.634 1.00 20.12 H new ATOM 0 HD2 ARG A 139 9.671 -38.980 1.416 1.00 14.14 H new ATOM 0 HD3 ARG A 139 8.739 -37.510 1.619 1.00 14.14 H new ATOM 0 HE ARG A 139 7.197 -39.751 2.553 1.00 54.24 H new ATOM 0 HH11 ARG A 139 10.001 -37.761 3.355 1.00 5.33 H new ATOM 0 HH12 ARG A 139 9.838 -38.029 5.094 1.00 5.33 H new ATOM 0 HH21 ARG A 139 6.994 -40.090 4.789 1.00 4.43 H new ATOM 0 HH22 ARG A 139 8.144 -39.341 5.902 1.00 4.43 H new ATOM 829 N PRO A 140 3.529 -38.728 -1.773 1.00 72.14 N ATOM 830 CA PRO A 140 2.071 -38.698 -1.625 1.00 14.50 C ATOM 831 C PRO A 140 1.587 -39.575 -0.475 1.00 3.15 C ATOM 832 O PRO A 140 2.037 -40.709 -0.314 1.00 52.42 O ATOM 833 CB PRO A 140 1.567 -39.243 -2.963 1.00 25.24 C ATOM 834 CG PRO A 140 2.682 -40.091 -3.471 1.00 34.04 C ATOM 835 CD PRO A 140 3.950 -39.436 -2.994 1.00 45.02 C ATOM 0 HA PRO A 140 1.705 -37.698 -1.392 1.00 14.50 H new ATOM 0 HB2 PRO A 140 0.654 -39.825 -2.835 1.00 25.24 H new ATOM 0 HB3 PRO A 140 1.336 -38.435 -3.658 1.00 25.24 H new ATOM 0 HG2 PRO A 140 2.602 -41.110 -3.091 1.00 34.04 H new ATOM 0 HG3 PRO A 140 2.660 -40.154 -4.559 1.00 34.04 H new ATOM 0 HD2 PRO A 140 4.728 -40.170 -2.785 1.00 45.02 H new ATOM 0 HD3 PRO A 140 4.352 -38.749 -3.739 1.00 45.02 H new ATOM 843 N VAL A 141 0.666 -39.042 0.322 1.00 14.24 N ATOM 844 CA VAL A 141 0.119 -39.776 1.456 1.00 40.14 C ATOM 845 C VAL A 141 -1.406 -39.788 1.420 1.00 51.04 C ATOM 846 O VAL A 141 -2.028 -38.931 0.792 1.00 50.42 O ATOM 847 CB VAL A 141 0.584 -39.172 2.794 1.00 61.41 C ATOM 848 CG1 VAL A 141 0.302 -40.131 3.940 1.00 4.11 C ATOM 849 CG2 VAL A 141 2.064 -38.822 2.733 1.00 2.25 C ATOM 0 H VAL A 141 0.283 -38.104 0.203 1.00 14.24 H new ATOM 0 HA VAL A 141 0.490 -40.798 1.379 1.00 40.14 H new ATOM 0 HB VAL A 141 0.023 -38.255 2.974 1.00 61.41 H new ATOM 0 HG11 VAL A 141 0.637 -39.687 4.877 1.00 4.11 H new ATOM 0 HG12 VAL A 141 -0.769 -40.328 3.995 1.00 4.11 H new ATOM 0 HG13 VAL A 141 0.835 -41.067 3.771 1.00 4.11 H new ATOM 0 HG21 VAL A 141 2.377 -38.396 3.686 1.00 2.25 H new ATOM 0 HG22 VAL A 141 2.643 -39.723 2.531 1.00 2.25 H new ATOM 0 HG23 VAL A 141 2.234 -38.096 1.938 1.00 2.25 H new ATOM 859 N ARG A 142 -2.001 -40.764 2.098 1.00 71.04 N ATOM 860 CA ARG A 142 -3.453 -40.888 2.142 1.00 53.24 C ATOM 861 C ARG A 142 -4.099 -39.563 2.537 1.00 4.13 C ATOM 862 O ARG A 142 -5.215 -39.257 2.118 1.00 5.33 O ATOM 863 CB ARG A 142 -3.862 -41.981 3.131 1.00 34.10 C ATOM 864 CG ARG A 142 -3.271 -41.800 4.519 1.00 34.45 C ATOM 865 CD ARG A 142 -2.452 -43.010 4.939 1.00 41.42 C ATOM 866 NE ARG A 142 -3.257 -43.994 5.657 1.00 32.52 N ATOM 867 CZ ARG A 142 -3.606 -43.868 6.932 1.00 43.31 C ATOM 868 NH1 ARG A 142 -3.223 -42.805 7.627 1.00 73.12 N1+ ATOM 869 NH2 ARG A 142 -4.341 -44.807 7.516 1.00 14.02 N ATOM 0 H ARG A 142 -1.500 -41.480 2.624 1.00 71.04 H new ATOM 0 HA ARG A 142 -3.801 -41.160 1.145 1.00 53.24 H new ATOM 0 HB2 ARG A 142 -4.949 -42.001 3.208 1.00 34.10 H new ATOM 0 HB3 ARG A 142 -3.553 -42.949 2.737 1.00 34.10 H new ATOM 0 HG2 ARG A 142 -2.641 -40.910 4.534 1.00 34.45 H new ATOM 0 HG3 ARG A 142 -4.073 -41.635 5.238 1.00 34.45 H new ATOM 0 HD2 ARG A 142 -2.014 -43.475 4.056 1.00 41.42 H new ATOM 0 HD3 ARG A 142 -1.626 -42.686 5.572 1.00 41.42 H new ATOM 0 HE ARG A 142 -3.568 -44.824 5.152 1.00 32.52 H new ATOM 0 HH11 ARG A 142 -2.659 -42.081 7.182 1.00 73.12 H new ATOM 0 HH12 ARG A 142 -3.493 -42.712 8.606 1.00 73.12 H new ATOM 0 HH21 ARG A 142 -4.638 -45.626 6.985 1.00 14.02 H new ATOM 0 HH22 ARG A 142 -4.609 -44.710 8.495 1.00 14.02 H new ATOM 883 N ASP A 143 -3.390 -38.782 3.345 1.00 41.32 N ATOM 884 CA ASP A 143 -3.895 -37.490 3.795 1.00 33.40 C ATOM 885 C ASP A 143 -3.606 -36.405 2.763 1.00 60.23 C ATOM 886 O ASP A 143 -2.474 -36.258 2.299 1.00 42.31 O ATOM 887 CB ASP A 143 -3.268 -37.114 5.139 1.00 30.13 C ATOM 888 CG ASP A 143 -1.828 -36.658 4.998 1.00 23.42 C ATOM 889 OD1 ASP A 143 -1.612 -35.474 4.662 1.00 65.31 O ATOM 890 OD2 ASP A 143 -0.919 -37.483 5.221 1.00 1.43 O1- ATOM 0 H ASP A 143 -2.465 -39.021 3.701 1.00 41.32 H new ATOM 0 HA ASP A 143 -4.975 -37.571 3.917 1.00 33.40 H new ATOM 0 HB2 ASP A 143 -3.854 -36.320 5.601 1.00 30.13 H new ATOM 0 HB3 ASP A 143 -3.310 -37.972 5.809 1.00 30.13 H new ATOM 895 N THR A 144 -4.637 -35.646 2.405 1.00 33.51 N ATOM 896 CA THR A 144 -4.495 -34.574 1.426 1.00 12.22 C ATOM 897 C THR A 144 -4.342 -33.221 2.111 1.00 32.31 C ATOM 898 O THR A 144 -4.706 -32.187 1.551 1.00 31.31 O ATOM 899 CB THR A 144 -5.704 -34.521 0.474 1.00 3.12 C ATOM 900 OG1 THR A 144 -6.923 -34.584 1.224 1.00 2.12 O ATOM 901 CG2 THR A 144 -5.657 -35.667 -0.525 1.00 34.45 C ATOM 0 H THR A 144 -5.580 -35.754 2.778 1.00 33.51 H new ATOM 0 HA THR A 144 -3.596 -34.789 0.849 1.00 12.22 H new ATOM 0 HB THR A 144 -5.665 -33.580 -0.075 1.00 3.12 H new ATOM 0 HG1 THR A 144 -7.687 -34.548 0.611 1.00 2.12 H new ATOM 0 HG21 THR A 144 -6.521 -35.608 -1.187 1.00 34.45 H new ATOM 0 HG22 THR A 144 -4.743 -35.598 -1.115 1.00 34.45 H new ATOM 0 HG23 THR A 144 -5.673 -36.617 0.010 1.00 34.45 H new ATOM 909 N LEU A 145 -3.798 -33.235 3.323 1.00 25.21 N ATOM 910 CA LEU A 145 -3.596 -32.007 4.084 1.00 41.45 C ATOM 911 C LEU A 145 -2.252 -31.370 3.742 1.00 44.04 C ATOM 912 O LEU A 145 -2.049 -30.174 3.951 1.00 41.05 O ATOM 913 CB LEU A 145 -3.668 -32.296 5.585 1.00 72.14 C ATOM 914 CG LEU A 145 -3.939 -31.092 6.488 1.00 12.03 C ATOM 915 CD1 LEU A 145 -5.401 -30.681 6.404 1.00 10.12 C ATOM 916 CD2 LEU A 145 -3.553 -31.406 7.926 1.00 72.53 C ATOM 0 H LEU A 145 -3.489 -34.082 3.799 1.00 25.21 H new ATOM 0 HA LEU A 145 -4.388 -31.308 3.816 1.00 41.45 H new ATOM 0 HB2 LEU A 145 -4.450 -33.036 5.755 1.00 72.14 H new ATOM 0 HB3 LEU A 145 -2.727 -32.751 5.893 1.00 72.14 H new ATOM 0 HG LEU A 145 -3.328 -30.258 6.143 1.00 12.03 H new ATOM 0 HD11 LEU A 145 -5.576 -29.823 7.053 1.00 10.12 H new ATOM 0 HD12 LEU A 145 -5.645 -30.414 5.376 1.00 10.12 H new ATOM 0 HD13 LEU A 145 -6.031 -31.511 6.723 1.00 10.12 H new ATOM 0 HD21 LEU A 145 -3.753 -30.538 8.554 1.00 72.53 H new ATOM 0 HD22 LEU A 145 -4.137 -32.254 8.283 1.00 72.53 H new ATOM 0 HD23 LEU A 145 -2.492 -31.651 7.973 1.00 72.53 H new ATOM 928 N HIS A 146 -1.338 -32.178 3.213 1.00 33.21 N ATOM 929 CA HIS A 146 -0.015 -31.693 2.839 1.00 1.43 C ATOM 930 C HIS A 146 -0.010 -31.182 1.401 1.00 63.11 C ATOM 931 O HIS A 146 0.850 -30.388 1.016 1.00 22.21 O ATOM 932 CB HIS A 146 1.024 -32.803 3.001 1.00 72.35 C ATOM 933 CG HIS A 146 0.926 -33.872 1.957 1.00 0.24 C ATOM 934 ND1 HIS A 146 -0.110 -34.780 1.903 1.00 1.44 N ATOM 935 CD2 HIS A 146 1.744 -34.175 0.921 1.00 32.41 C ATOM 936 CE1 HIS A 146 0.075 -35.595 0.880 1.00 40.02 C ATOM 937 NE2 HIS A 146 1.192 -35.249 0.268 1.00 53.34 N ATOM 0 H HIS A 146 -1.490 -33.171 3.034 1.00 33.21 H new ATOM 0 HA HIS A 146 0.242 -30.866 3.501 1.00 1.43 H new ATOM 0 HB2 HIS A 146 2.021 -32.364 2.967 1.00 72.35 H new ATOM 0 HB3 HIS A 146 0.909 -33.256 3.985 1.00 72.35 H new ATOM 0 HD1 HIS A 146 -0.896 -34.817 2.552 1.00 1.44 H new ATOM 0 HD2 HIS A 146 2.660 -33.667 0.658 1.00 32.41 H new ATOM 0 HE1 HIS A 146 -0.577 -36.407 0.593 1.00 40.02 H new ATOM 945 N LEU A 147 -0.973 -31.644 0.611 1.00 3.03 N ATOM 946 CA LEU A 147 -1.080 -31.234 -0.785 1.00 14.44 C ATOM 947 C LEU A 147 -1.068 -29.714 -0.910 1.00 54.12 C ATOM 948 O LEU A 147 -0.213 -29.145 -1.587 1.00 62.14 O ATOM 949 CB LEU A 147 -2.360 -31.798 -1.406 1.00 15.31 C ATOM 950 CG LEU A 147 -2.457 -33.323 -1.474 1.00 63.33 C ATOM 951 CD1 LEU A 147 -3.705 -33.743 -2.235 1.00 5.30 C ATOM 952 CD2 LEU A 147 -1.212 -33.908 -2.125 1.00 24.23 C ATOM 0 H LEU A 147 -1.691 -32.303 0.913 1.00 3.03 H new ATOM 0 HA LEU A 147 -0.218 -31.630 -1.321 1.00 14.44 H new ATOM 0 HB2 LEU A 147 -3.211 -31.425 -0.837 1.00 15.31 H new ATOM 0 HB3 LEU A 147 -2.454 -31.402 -2.417 1.00 15.31 H new ATOM 0 HG LEU A 147 -2.527 -33.710 -0.457 1.00 63.33 H new ATOM 0 HD11 LEU A 147 -3.758 -34.831 -2.274 1.00 5.30 H new ATOM 0 HD12 LEU A 147 -4.588 -33.354 -1.728 1.00 5.30 H new ATOM 0 HD13 LEU A 147 -3.664 -33.345 -3.249 1.00 5.30 H new ATOM 0 HD21 LEU A 147 -1.298 -34.994 -2.165 1.00 24.23 H new ATOM 0 HD22 LEU A 147 -1.111 -33.515 -3.136 1.00 24.23 H new ATOM 0 HD23 LEU A 147 -0.333 -33.635 -1.540 1.00 24.23 H new ATOM 964 N GLU A 148 -2.020 -29.063 -0.248 1.00 71.13 N ATOM 965 CA GLU A 148 -2.117 -27.609 -0.285 1.00 1.45 C ATOM 966 C GLU A 148 -1.550 -26.994 0.992 1.00 64.53 C ATOM 967 O GLU A 148 -1.677 -27.560 2.076 1.00 52.44 O ATOM 968 CB GLU A 148 -3.574 -27.177 -0.469 1.00 74.44 C ATOM 969 CG GLU A 148 -4.446 -27.445 0.746 1.00 61.21 C ATOM 970 CD GLU A 148 -5.847 -26.886 0.592 1.00 71.04 C ATOM 971 OE1 GLU A 148 -6.062 -25.715 0.967 1.00 61.21 O1- ATOM 972 OE2 GLU A 148 -6.728 -27.619 0.097 1.00 15.42 O ATOM 0 H GLU A 148 -2.734 -29.519 0.320 1.00 71.13 H new ATOM 0 HA GLU A 148 -1.530 -27.252 -1.132 1.00 1.45 H new ATOM 0 HB2 GLU A 148 -3.602 -26.112 -0.698 1.00 74.44 H new ATOM 0 HB3 GLU A 148 -3.993 -27.699 -1.329 1.00 74.44 H new ATOM 0 HG2 GLU A 148 -4.504 -28.520 0.917 1.00 61.21 H new ATOM 0 HG3 GLU A 148 -3.979 -27.007 1.628 1.00 61.21 H new ATOM 979 N GLY A 149 -0.924 -25.830 0.853 1.00 54.43 N ATOM 980 CA GLY A 149 -0.345 -25.157 2.001 1.00 25.32 C ATOM 981 C GLY A 149 1.130 -25.460 2.170 1.00 34.35 C ATOM 982 O GLY A 149 1.821 -24.806 2.950 1.00 65.23 O ATOM 0 H GLY A 149 -0.807 -25.341 -0.034 1.00 54.43 H new ATOM 0 HA2 GLY A 149 -0.481 -24.081 1.894 1.00 25.32 H new ATOM 0 HA3 GLY A 149 -0.880 -25.458 2.902 1.00 25.32 H new ATOM 986 N LYS A 150 1.615 -26.457 1.436 1.00 70.04 N ATOM 987 CA LYS A 150 3.017 -26.847 1.507 1.00 31.31 C ATOM 988 C LYS A 150 3.929 -25.659 1.217 1.00 54.12 C ATOM 989 O LYS A 150 3.709 -24.917 0.259 1.00 22.52 O ATOM 990 CB LYS A 150 3.305 -27.977 0.516 1.00 50.15 C ATOM 991 CG LYS A 150 4.755 -28.425 0.508 1.00 10.22 C ATOM 992 CD LYS A 150 5.349 -28.369 -0.890 1.00 65.53 C ATOM 993 CE LYS A 150 5.170 -29.688 -1.626 1.00 15.14 C ATOM 994 NZ LYS A 150 3.782 -29.850 -2.142 1.00 42.30 N1+ ATOM 0 H LYS A 150 1.056 -27.009 0.785 1.00 70.04 H new ATOM 0 HA LYS A 150 3.218 -27.199 2.519 1.00 31.31 H new ATOM 0 HB2 LYS A 150 2.671 -28.830 0.757 1.00 50.15 H new ATOM 0 HB3 LYS A 150 3.030 -27.649 -0.486 1.00 50.15 H new ATOM 0 HG2 LYS A 150 5.336 -27.790 1.177 1.00 10.22 H new ATOM 0 HG3 LYS A 150 4.824 -29.442 0.893 1.00 10.22 H new ATOM 0 HD2 LYS A 150 4.874 -27.568 -1.456 1.00 65.53 H new ATOM 0 HD3 LYS A 150 6.410 -28.128 -0.826 1.00 65.53 H new ATOM 0 HE2 LYS A 150 5.875 -29.740 -2.456 1.00 15.14 H new ATOM 0 HE3 LYS A 150 5.407 -30.514 -0.955 1.00 15.14 H new ATOM 0 HZ1 LYS A 150 3.813 -30.247 -3.103 1.00 42.30 H new ATOM 0 HZ2 LYS A 150 3.253 -30.493 -1.519 1.00 42.30 H new ATOM 0 HZ3 LYS A 150 3.310 -28.924 -2.165 1.00 42.30 H new ATOM 1008 N GLU A 151 4.951 -25.485 2.049 1.00 41.22 N ATOM 1009 CA GLU A 151 5.895 -24.387 1.880 1.00 55.31 C ATOM 1010 C GLU A 151 7.260 -24.906 1.439 1.00 33.43 C ATOM 1011 O GLU A 151 7.956 -25.578 2.201 1.00 74.30 O ATOM 1012 CB GLU A 151 6.032 -23.597 3.183 1.00 5.22 C ATOM 1013 CG GLU A 151 6.326 -24.468 4.393 1.00 51.44 C ATOM 1014 CD GLU A 151 6.292 -23.690 5.694 1.00 14.32 C ATOM 1015 OE1 GLU A 151 7.300 -23.025 6.013 1.00 1.24 O1- ATOM 1016 OE2 GLU A 151 5.258 -23.747 6.392 1.00 24.15 O ATOM 0 H GLU A 151 5.146 -26.090 2.846 1.00 41.22 H new ATOM 0 HA GLU A 151 5.509 -23.727 1.103 1.00 55.31 H new ATOM 0 HB2 GLU A 151 6.830 -22.863 3.071 1.00 5.22 H new ATOM 0 HB3 GLU A 151 5.111 -23.042 3.360 1.00 5.22 H new ATOM 0 HG2 GLU A 151 5.597 -25.277 4.439 1.00 51.44 H new ATOM 0 HG3 GLU A 151 7.307 -24.928 4.275 1.00 51.44 H new ATOM 1023 N LEU A 152 7.637 -24.590 0.204 1.00 4.40 N ATOM 1024 CA LEU A 152 8.920 -25.024 -0.338 1.00 14.53 C ATOM 1025 C LEU A 152 9.573 -23.909 -1.150 1.00 1.52 C ATOM 1026 O LEU A 152 8.901 -22.982 -1.601 1.00 22.54 O ATOM 1027 CB LEU A 152 8.731 -26.263 -1.215 1.00 72.43 C ATOM 1028 CG LEU A 152 9.133 -27.598 -0.584 1.00 52.41 C ATOM 1029 CD1 LEU A 152 8.864 -28.744 -1.546 1.00 52.35 C ATOM 1030 CD2 LEU A 152 10.598 -27.574 -0.175 1.00 3.13 C ATOM 0 H LEU A 152 7.073 -24.035 -0.440 1.00 4.40 H new ATOM 0 HA LEU A 152 9.575 -25.272 0.497 1.00 14.53 H new ATOM 0 HB2 LEU A 152 7.682 -26.322 -1.505 1.00 72.43 H new ATOM 0 HB3 LEU A 152 9.308 -26.128 -2.130 1.00 72.43 H new ATOM 0 HG LEU A 152 8.530 -27.753 0.311 1.00 52.41 H new ATOM 0 HD11 LEU A 152 9.156 -29.686 -1.081 1.00 52.35 H new ATOM 0 HD12 LEU A 152 7.802 -28.773 -1.789 1.00 52.35 H new ATOM 0 HD13 LEU A 152 9.441 -28.596 -2.459 1.00 52.35 H new ATOM 0 HD21 LEU A 152 10.867 -28.531 0.272 1.00 3.13 H new ATOM 0 HD22 LEU A 152 11.218 -27.397 -1.054 1.00 3.13 H new ATOM 0 HD23 LEU A 152 10.760 -26.777 0.550 1.00 3.13 H new ATOM 1042 N GLU A 153 10.886 -24.008 -1.332 1.00 64.45 N ATOM 1043 CA GLU A 153 11.629 -23.008 -2.090 1.00 72.24 C ATOM 1044 C GLU A 153 11.790 -23.438 -3.545 1.00 52.22 C ATOM 1045 O GLU A 153 11.881 -24.628 -3.845 1.00 74.32 O ATOM 1046 CB GLU A 153 13.004 -22.775 -1.459 1.00 65.41 C ATOM 1047 CG GLU A 153 12.966 -22.659 0.055 1.00 32.34 C ATOM 1048 CD GLU A 153 14.121 -21.842 0.605 1.00 54.31 C ATOM 1049 OE1 GLU A 153 15.139 -21.703 -0.102 1.00 12.13 O1- ATOM 1050 OE2 GLU A 153 14.003 -21.342 1.744 1.00 31.43 O ATOM 0 H GLU A 153 11.457 -24.770 -0.965 1.00 64.45 H new ATOM 0 HA GLU A 153 11.064 -22.076 -2.065 1.00 72.24 H new ATOM 0 HB2 GLU A 153 13.665 -23.596 -1.736 1.00 65.41 H new ATOM 0 HB3 GLU A 153 13.436 -21.864 -1.874 1.00 65.41 H new ATOM 0 HG2 GLU A 153 12.025 -22.200 0.357 1.00 32.34 H new ATOM 0 HG3 GLU A 153 12.990 -23.657 0.493 1.00 32.34 H new ATOM 1057 N PHE A 154 11.825 -22.460 -4.444 1.00 71.32 N ATOM 1058 CA PHE A 154 11.974 -22.737 -5.868 1.00 73.31 C ATOM 1059 C PHE A 154 13.190 -22.011 -6.438 1.00 21.25 C ATOM 1060 O PHE A 154 13.905 -21.313 -5.720 1.00 32.42 O ATOM 1061 CB PHE A 154 10.713 -22.315 -6.626 1.00 71.02 C ATOM 1062 CG PHE A 154 9.439 -22.671 -5.915 1.00 21.14 C ATOM 1063 CD1 PHE A 154 9.291 -23.909 -5.310 1.00 33.11 C ATOM 1064 CD2 PHE A 154 8.390 -21.769 -5.850 1.00 72.32 C ATOM 1065 CE1 PHE A 154 8.120 -24.240 -4.656 1.00 3.41 C ATOM 1066 CE2 PHE A 154 7.216 -22.094 -5.197 1.00 33.30 C ATOM 1067 CZ PHE A 154 7.081 -23.331 -4.598 1.00 31.11 C ATOM 0 H PHE A 154 11.752 -21.469 -4.212 1.00 71.32 H new ATOM 0 HA PHE A 154 12.122 -23.810 -5.991 1.00 73.31 H new ATOM 0 HB2 PHE A 154 10.740 -21.238 -6.789 1.00 71.02 H new ATOM 0 HB3 PHE A 154 10.715 -22.786 -7.609 1.00 71.02 H new ATOM 0 HD1 PHE A 154 10.100 -24.623 -5.350 1.00 33.11 H new ATOM 0 HD2 PHE A 154 8.491 -20.800 -6.315 1.00 72.32 H new ATOM 0 HE1 PHE A 154 8.017 -25.209 -4.190 1.00 3.41 H new ATOM 0 HE2 PHE A 154 6.405 -21.382 -5.155 1.00 33.30 H new ATOM 0 HZ PHE A 154 6.166 -23.587 -4.085 1.00 31.11 H new ATOM 1077 N LYS A 155 13.418 -22.183 -7.737 1.00 14.10 N ATOM 1078 CA LYS A 155 14.546 -21.546 -8.406 1.00 52.02 C ATOM 1079 C LYS A 155 14.116 -20.935 -9.734 1.00 34.24 C ATOM 1080 O LYS A 155 13.839 -21.649 -10.698 1.00 74.34 O ATOM 1081 CB LYS A 155 15.667 -22.562 -8.639 1.00 22.41 C ATOM 1082 CG LYS A 155 16.838 -22.406 -7.685 1.00 33.03 C ATOM 1083 CD LYS A 155 18.163 -22.673 -8.380 1.00 61.52 C ATOM 1084 CE LYS A 155 18.859 -21.378 -8.771 1.00 44.24 C ATOM 1085 NZ LYS A 155 19.989 -21.617 -9.710 1.00 21.03 N1+ ATOM 0 H LYS A 155 12.836 -22.758 -8.346 1.00 14.10 H new ATOM 0 HA LYS A 155 14.915 -20.748 -7.762 1.00 52.02 H new ATOM 0 HB2 LYS A 155 15.260 -23.568 -8.540 1.00 22.41 H new ATOM 0 HB3 LYS A 155 16.028 -22.464 -9.663 1.00 22.41 H new ATOM 0 HG2 LYS A 155 16.840 -21.397 -7.272 1.00 33.03 H new ATOM 0 HG3 LYS A 155 16.720 -23.094 -6.848 1.00 33.03 H new ATOM 0 HD2 LYS A 155 18.811 -23.251 -7.721 1.00 61.52 H new ATOM 0 HD3 LYS A 155 17.993 -23.279 -9.270 1.00 61.52 H new ATOM 0 HE2 LYS A 155 18.138 -20.704 -9.234 1.00 44.24 H new ATOM 0 HE3 LYS A 155 19.230 -20.881 -7.875 1.00 44.24 H new ATOM 0 HZ1 LYS A 155 20.437 -20.710 -9.952 1.00 21.03 H new ATOM 0 HZ2 LYS A 155 20.689 -22.240 -9.259 1.00 21.03 H new ATOM 0 HZ3 LYS A 155 19.631 -22.068 -10.576 1.00 21.03 H new ATOM 1099 N VAL A 156 14.060 -19.607 -9.779 1.00 14.23 N ATOM 1100 CA VAL A 156 13.665 -18.899 -10.991 1.00 74.32 C ATOM 1101 C VAL A 156 14.616 -19.207 -12.142 1.00 51.23 C ATOM 1102 O VAL A 156 15.747 -18.721 -12.175 1.00 60.42 O ATOM 1103 CB VAL A 156 13.628 -17.376 -10.764 1.00 20.45 C ATOM 1104 CG1 VAL A 156 13.242 -16.653 -12.046 1.00 14.03 C ATOM 1105 CG2 VAL A 156 12.668 -17.029 -9.638 1.00 31.34 C ATOM 0 H VAL A 156 14.283 -19.000 -8.990 1.00 14.23 H new ATOM 0 HA VAL A 156 12.664 -19.245 -11.248 1.00 74.32 H new ATOM 0 HB VAL A 156 14.626 -17.045 -10.475 1.00 20.45 H new ATOM 0 HG11 VAL A 156 13.221 -15.578 -11.865 1.00 14.03 H new ATOM 0 HG12 VAL A 156 13.972 -16.876 -12.824 1.00 14.03 H new ATOM 0 HG13 VAL A 156 12.255 -16.986 -12.368 1.00 14.03 H new ATOM 0 HG21 VAL A 156 12.654 -15.949 -9.491 1.00 31.34 H new ATOM 0 HG22 VAL A 156 11.666 -17.373 -9.895 1.00 31.34 H new ATOM 0 HG23 VAL A 156 12.994 -17.516 -8.719 1.00 31.34 H new ATOM 1115 N ILE A 157 14.149 -20.018 -13.086 1.00 64.23 N ATOM 1116 CA ILE A 157 14.958 -20.390 -14.241 1.00 1.32 C ATOM 1117 C ILE A 157 14.767 -19.403 -15.387 1.00 51.51 C ATOM 1118 O ILE A 157 15.677 -19.176 -16.184 1.00 50.24 O ATOM 1119 CB ILE A 157 14.613 -21.808 -14.736 1.00 71.04 C ATOM 1120 CG1 ILE A 157 15.633 -22.269 -15.779 1.00 51.24 C ATOM 1121 CG2 ILE A 157 13.207 -21.839 -15.313 1.00 54.14 C ATOM 1122 CD1 ILE A 157 16.018 -23.726 -15.645 1.00 30.43 C ATOM 0 H ILE A 157 13.216 -20.430 -13.074 1.00 64.23 H new ATOM 0 HA ILE A 157 15.999 -20.370 -13.917 1.00 1.32 H new ATOM 0 HB ILE A 157 14.652 -22.493 -13.889 1.00 71.04 H new ATOM 0 HG12 ILE A 157 15.224 -22.100 -16.775 1.00 51.24 H new ATOM 0 HG13 ILE A 157 16.530 -21.655 -15.694 1.00 51.24 H new ATOM 0 HG21 ILE A 157 12.978 -22.847 -15.658 1.00 54.14 H new ATOM 0 HG22 ILE A 157 12.492 -21.547 -14.544 1.00 54.14 H new ATOM 0 HG23 ILE A 157 13.142 -21.145 -16.151 1.00 54.14 H new ATOM 0 HD11 ILE A 157 16.744 -23.983 -16.416 1.00 30.43 H new ATOM 0 HD12 ILE A 157 16.457 -23.897 -14.662 1.00 30.43 H new ATOM 0 HD13 ILE A 157 15.131 -24.349 -15.760 1.00 30.43 H new ATOM 1134 N LYS A 158 13.576 -18.817 -15.463 1.00 11.20 N ATOM 1135 CA LYS A 158 13.265 -17.850 -16.509 1.00 74.04 C ATOM 1136 C LYS A 158 11.869 -17.268 -16.314 1.00 3.31 C ATOM 1137 O LYS A 158 11.092 -17.754 -15.489 1.00 5.10 O ATOM 1138 CB LYS A 158 13.366 -18.510 -17.887 1.00 24.24 C ATOM 1139 CG LYS A 158 13.795 -17.555 -18.988 1.00 25.34 C ATOM 1140 CD LYS A 158 14.427 -18.296 -20.154 1.00 75.32 C ATOM 1141 CE LYS A 158 15.943 -18.347 -20.025 1.00 1.33 C ATOM 1142 NZ LYS A 158 16.609 -18.406 -21.355 1.00 35.23 N1+ ATOM 0 H LYS A 158 12.811 -18.995 -14.813 1.00 11.20 H new ATOM 0 HA LYS A 158 13.990 -17.038 -16.447 1.00 74.04 H new ATOM 0 HB2 LYS A 158 14.077 -19.334 -17.835 1.00 24.24 H new ATOM 0 HB3 LYS A 158 12.399 -18.940 -18.147 1.00 24.24 H new ATOM 0 HG2 LYS A 158 12.931 -16.992 -19.339 1.00 25.34 H new ATOM 0 HG3 LYS A 158 14.505 -16.832 -18.587 1.00 25.34 H new ATOM 0 HD2 LYS A 158 14.030 -19.310 -20.200 1.00 75.32 H new ATOM 0 HD3 LYS A 158 14.156 -17.805 -21.089 1.00 75.32 H new ATOM 0 HE2 LYS A 158 16.291 -17.468 -19.483 1.00 1.33 H new ATOM 0 HE3 LYS A 158 16.229 -19.219 -19.436 1.00 1.33 H new ATOM 0 HZ1 LYS A 158 17.640 -18.440 -21.226 1.00 35.23 H new ATOM 0 HZ2 LYS A 158 16.296 -19.258 -21.863 1.00 35.23 H new ATOM 0 HZ3 LYS A 158 16.357 -17.562 -21.907 1.00 35.23 H new ATOM 1156 N LEU A 159 11.555 -16.226 -17.076 1.00 22.41 N ATOM 1157 CA LEU A 159 10.251 -15.578 -16.987 1.00 43.12 C ATOM 1158 C LEU A 159 9.772 -15.128 -18.364 1.00 63.43 C ATOM 1159 O LEU A 159 10.565 -14.999 -19.296 1.00 65.04 O ATOM 1160 CB LEU A 159 10.320 -14.378 -16.041 1.00 4.42 C ATOM 1161 CG LEU A 159 11.229 -14.535 -14.822 1.00 11.11 C ATOM 1162 CD1 LEU A 159 12.648 -14.105 -15.156 1.00 0.52 C ATOM 1163 CD2 LEU A 159 10.688 -13.734 -13.647 1.00 43.35 C ATOM 0 H LEU A 159 12.186 -15.812 -17.762 1.00 22.41 H new ATOM 0 HA LEU A 159 9.538 -16.303 -16.593 1.00 43.12 H new ATOM 0 HB2 LEU A 159 10.656 -13.511 -16.610 1.00 4.42 H new ATOM 0 HB3 LEU A 159 9.311 -14.158 -15.691 1.00 4.42 H new ATOM 0 HG LEU A 159 11.248 -15.588 -14.539 1.00 11.11 H new ATOM 0 HD11 LEU A 159 13.281 -14.224 -14.276 1.00 0.52 H new ATOM 0 HD12 LEU A 159 13.034 -14.723 -15.967 1.00 0.52 H new ATOM 0 HD13 LEU A 159 12.648 -13.060 -15.465 1.00 0.52 H new ATOM 0 HD21 LEU A 159 11.348 -13.857 -12.788 1.00 43.35 H new ATOM 0 HD22 LEU A 159 10.638 -12.679 -13.918 1.00 43.35 H new ATOM 0 HD23 LEU A 159 9.690 -14.091 -13.392 1.00 43.35 H new ATOM 1175 N ASP A 160 8.471 -14.890 -18.483 1.00 63.41 N ATOM 1176 CA ASP A 160 7.886 -14.450 -19.744 1.00 74.52 C ATOM 1177 C ASP A 160 7.411 -13.004 -19.649 1.00 55.45 C ATOM 1178 O ASP A 160 6.353 -12.725 -19.086 1.00 12.23 O ATOM 1179 CB ASP A 160 6.717 -15.359 -20.133 1.00 1.44 C ATOM 1180 CG ASP A 160 7.168 -16.577 -20.917 1.00 35.14 C ATOM 1181 OD1 ASP A 160 8.166 -17.207 -20.512 1.00 20.24 O ATOM 1182 OD2 ASP A 160 6.521 -16.899 -21.935 1.00 74.23 O1- ATOM 0 H ASP A 160 7.801 -14.994 -17.721 1.00 63.41 H new ATOM 0 HA ASP A 160 8.656 -14.510 -20.513 1.00 74.52 H new ATOM 0 HB2 ASP A 160 6.196 -15.683 -19.232 1.00 1.44 H new ATOM 0 HB3 ASP A 160 6.001 -14.792 -20.728 1.00 1.44 H new ATOM 1187 N GLN A 161 8.201 -12.090 -20.202 1.00 71.33 N ATOM 1188 CA GLN A 161 7.862 -10.672 -20.178 1.00 43.43 C ATOM 1189 C GLN A 161 6.864 -10.332 -21.279 1.00 43.02 C ATOM 1190 O GLN A 161 5.982 -9.494 -21.096 1.00 33.42 O ATOM 1191 CB GLN A 161 9.123 -9.821 -20.335 1.00 3.00 C ATOM 1192 CG GLN A 161 9.790 -9.969 -21.693 1.00 42.43 C ATOM 1193 CD GLN A 161 9.288 -8.956 -22.703 1.00 42.32 C ATOM 1194 OE1 GLN A 161 9.060 -7.792 -22.372 1.00 31.54 O ATOM 1195 NE2 GLN A 161 9.113 -9.394 -23.944 1.00 21.10 N ATOM 0 H GLN A 161 9.080 -12.306 -20.672 1.00 71.33 H new ATOM 0 HA GLN A 161 7.402 -10.451 -19.215 1.00 43.43 H new ATOM 0 HB2 GLN A 161 8.867 -8.773 -20.177 1.00 3.00 H new ATOM 0 HB3 GLN A 161 9.836 -10.095 -19.557 1.00 3.00 H new ATOM 0 HG2 GLN A 161 10.868 -9.858 -21.578 1.00 42.43 H new ATOM 0 HG3 GLN A 161 9.612 -10.975 -22.073 1.00 42.43 H new ATOM 0 HE21 GLN A 161 9.314 -10.367 -24.175 1.00 21.10 H new ATOM 0 HE22 GLN A 161 8.777 -8.758 -24.667 1.00 21.10 H new ATOM 1204 N LYS A 162 7.009 -10.988 -22.426 1.00 74.31 N ATOM 1205 CA LYS A 162 6.121 -10.757 -23.559 1.00 0.03 C ATOM 1206 C LYS A 162 4.721 -11.289 -23.270 1.00 53.11 C ATOM 1207 O LYS A 162 3.725 -10.611 -23.520 1.00 52.53 O ATOM 1208 CB LYS A 162 6.682 -11.423 -24.817 1.00 22.24 C ATOM 1209 CG LYS A 162 5.984 -10.992 -26.095 1.00 53.23 C ATOM 1210 CD LYS A 162 6.907 -11.095 -27.298 1.00 14.41 C ATOM 1211 CE LYS A 162 6.257 -10.528 -28.551 1.00 61.10 C ATOM 1212 NZ LYS A 162 6.283 -9.040 -28.564 1.00 71.30 N1+ ATOM 0 H LYS A 162 7.734 -11.685 -22.595 1.00 74.31 H new ATOM 0 HA LYS A 162 6.055 -9.682 -23.724 1.00 0.03 H new ATOM 0 HB2 LYS A 162 7.744 -11.192 -24.897 1.00 22.24 H new ATOM 0 HB3 LYS A 162 6.598 -12.505 -24.714 1.00 22.24 H new ATOM 0 HG2 LYS A 162 5.103 -11.614 -26.257 1.00 53.23 H new ATOM 0 HG3 LYS A 162 5.634 -9.965 -25.991 1.00 53.23 H new ATOM 0 HD2 LYS A 162 7.834 -10.559 -27.094 1.00 14.41 H new ATOM 0 HD3 LYS A 162 7.173 -12.139 -27.465 1.00 14.41 H new ATOM 0 HE2 LYS A 162 6.774 -10.908 -29.432 1.00 61.10 H new ATOM 0 HE3 LYS A 162 5.225 -10.874 -28.613 1.00 61.10 H new ATOM 0 HZ1 LYS A 162 5.831 -8.692 -29.434 1.00 71.30 H new ATOM 0 HZ2 LYS A 162 5.768 -8.677 -27.737 1.00 71.30 H new ATOM 0 HZ3 LYS A 162 7.269 -8.710 -28.531 1.00 71.30 H new ATOM 1226 N ARG A 163 4.654 -12.507 -22.741 1.00 24.25 N ATOM 1227 CA ARG A 163 3.376 -13.129 -22.418 1.00 62.53 C ATOM 1228 C ARG A 163 2.759 -12.493 -21.176 1.00 54.45 C ATOM 1229 O ARG A 163 1.573 -12.671 -20.898 1.00 65.14 O ATOM 1230 CB ARG A 163 3.558 -14.632 -22.197 1.00 3.31 C ATOM 1231 CG ARG A 163 2.330 -15.454 -22.552 1.00 22.22 C ATOM 1232 CD ARG A 163 1.390 -15.593 -21.364 1.00 13.20 C ATOM 1233 NE ARG A 163 0.623 -16.835 -21.416 1.00 12.45 N ATOM 1234 CZ ARG A 163 -0.271 -17.186 -20.498 1.00 22.53 C ATOM 1235 NH1 ARG A 163 -0.509 -16.392 -19.463 1.00 24.04 N1+ ATOM 1236 NH2 ARG A 163 -0.930 -18.332 -20.615 1.00 20.22 N ATOM 0 H ARG A 163 5.469 -13.082 -22.527 1.00 24.25 H new ATOM 0 HA ARG A 163 2.701 -12.971 -23.259 1.00 62.53 H new ATOM 0 HB2 ARG A 163 4.402 -14.979 -22.794 1.00 3.31 H new ATOM 0 HB3 ARG A 163 3.813 -14.809 -21.152 1.00 3.31 H new ATOM 0 HG2 ARG A 163 1.803 -14.983 -23.381 1.00 22.22 H new ATOM 0 HG3 ARG A 163 2.638 -16.443 -22.891 1.00 22.22 H new ATOM 0 HD2 ARG A 163 1.967 -15.561 -20.440 1.00 13.20 H new ATOM 0 HD3 ARG A 163 0.706 -14.745 -21.342 1.00 13.20 H new ATOM 0 HE ARG A 163 0.783 -17.468 -22.200 1.00 12.45 H new ATOM 0 HH11 ARG A 163 -0.005 -15.510 -19.371 1.00 24.04 H new ATOM 0 HH12 ARG A 163 -1.196 -16.663 -18.759 1.00 24.04 H new ATOM 0 HH21 ARG A 163 -0.750 -18.945 -21.410 1.00 20.22 H new ATOM 0 HH22 ARG A 163 -1.616 -18.600 -19.909 1.00 20.22 H new ATOM 1250 N ASN A 164 3.572 -11.750 -20.432 1.00 34.44 N ATOM 1251 CA ASN A 164 3.107 -11.088 -19.220 1.00 31.41 C ATOM 1252 C ASN A 164 2.663 -12.109 -18.177 1.00 13.15 C ATOM 1253 O ASN A 164 1.651 -11.924 -17.503 1.00 31.11 O ATOM 1254 CB ASN A 164 1.952 -10.137 -19.543 1.00 35.43 C ATOM 1255 CG ASN A 164 2.132 -9.443 -20.879 1.00 23.04 C ATOM 1256 OD1 ASN A 164 1.310 -9.591 -21.784 1.00 72.53 O ATOM 1257 ND2 ASN A 164 3.211 -8.680 -21.009 1.00 42.42 N ATOM 0 H ASN A 164 4.556 -11.592 -20.648 1.00 34.44 H new ATOM 0 HA ASN A 164 3.938 -10.514 -18.809 1.00 31.41 H new ATOM 0 HB2 ASN A 164 1.016 -10.696 -19.550 1.00 35.43 H new ATOM 0 HB3 ASN A 164 1.870 -9.388 -18.755 1.00 35.43 H new ATOM 0 HD21 ASN A 164 3.385 -8.188 -21.885 1.00 42.42 H new ATOM 0 HD22 ASN A 164 3.866 -8.586 -20.233 1.00 42.42 H new ATOM 1264 N ASN A 165 3.427 -13.189 -18.052 1.00 24.24 N ATOM 1265 CA ASN A 165 3.113 -14.241 -17.092 1.00 24.21 C ATOM 1266 C ASN A 165 4.378 -14.746 -16.405 1.00 75.13 C ATOM 1267 O ASN A 165 5.358 -15.094 -17.062 1.00 12.32 O ATOM 1268 CB ASN A 165 2.401 -15.402 -17.791 1.00 52.22 C ATOM 1269 CG ASN A 165 2.216 -16.600 -16.879 1.00 64.44 C ATOM 1270 OD1 ASN A 165 2.491 -17.735 -17.266 1.00 33.43 O ATOM 1271 ND2 ASN A 165 1.747 -16.349 -15.662 1.00 51.05 N ATOM 0 H ASN A 165 4.268 -13.359 -18.603 1.00 24.24 H new ATOM 0 HA ASN A 165 2.452 -13.821 -16.334 1.00 24.21 H new ATOM 0 HB2 ASN A 165 1.427 -15.066 -18.147 1.00 52.22 H new ATOM 0 HB3 ASN A 165 2.975 -15.702 -18.668 1.00 52.22 H new ATOM 0 HD21 ASN A 165 1.601 -17.114 -15.004 1.00 51.05 H new ATOM 0 HD22 ASN A 165 1.533 -15.391 -15.386 1.00 51.05 H new ATOM 1278 N VAL A 166 4.348 -14.786 -15.076 1.00 14.54 N ATOM 1279 CA VAL A 166 5.491 -15.249 -14.299 1.00 71.02 C ATOM 1280 C VAL A 166 5.299 -16.693 -13.849 1.00 3.03 C ATOM 1281 O VAL A 166 4.255 -17.053 -13.305 1.00 35.01 O ATOM 1282 CB VAL A 166 5.723 -14.365 -13.060 1.00 45.01 C ATOM 1283 CG1 VAL A 166 4.489 -14.357 -12.169 1.00 21.30 C ATOM 1284 CG2 VAL A 166 6.945 -14.839 -12.288 1.00 20.03 C ATOM 0 H VAL A 166 3.544 -14.503 -14.516 1.00 14.54 H new ATOM 0 HA VAL A 166 6.363 -15.186 -14.950 1.00 71.02 H new ATOM 0 HB VAL A 166 5.906 -13.344 -13.394 1.00 45.01 H new ATOM 0 HG11 VAL A 166 4.673 -13.727 -11.299 1.00 21.30 H new ATOM 0 HG12 VAL A 166 3.639 -13.965 -12.728 1.00 21.30 H new ATOM 0 HG13 VAL A 166 4.270 -15.373 -11.841 1.00 21.30 H new ATOM 0 HG21 VAL A 166 7.094 -14.203 -11.416 1.00 20.03 H new ATOM 0 HG22 VAL A 166 6.794 -15.869 -11.964 1.00 20.03 H new ATOM 0 HG23 VAL A 166 7.824 -14.786 -12.930 1.00 20.03 H new ATOM 1294 N VAL A 167 6.315 -17.519 -14.081 1.00 13.11 N ATOM 1295 CA VAL A 167 6.260 -18.925 -13.699 1.00 13.14 C ATOM 1296 C VAL A 167 7.554 -19.361 -13.021 1.00 22.44 C ATOM 1297 O VAL A 167 8.536 -18.620 -12.999 1.00 43.21 O ATOM 1298 CB VAL A 167 6.003 -19.828 -14.920 1.00 34.31 C ATOM 1299 CG1 VAL A 167 4.734 -19.405 -15.641 1.00 72.33 C ATOM 1300 CG2 VAL A 167 7.196 -19.801 -15.863 1.00 20.40 C ATOM 0 H VAL A 167 7.186 -17.238 -14.532 1.00 13.11 H new ATOM 0 HA VAL A 167 5.432 -19.031 -12.998 1.00 13.14 H new ATOM 0 HB VAL A 167 5.868 -20.851 -14.570 1.00 34.31 H new ATOM 0 HG11 VAL A 167 4.570 -20.055 -16.500 1.00 72.33 H new ATOM 0 HG12 VAL A 167 3.886 -19.482 -14.961 1.00 72.33 H new ATOM 0 HG13 VAL A 167 4.835 -18.374 -15.980 1.00 72.33 H new ATOM 0 HG21 VAL A 167 6.997 -20.445 -16.720 1.00 20.40 H new ATOM 0 HG22 VAL A 167 7.365 -18.781 -16.207 1.00 20.40 H new ATOM 0 HG23 VAL A 167 8.082 -20.159 -15.339 1.00 20.40 H new ATOM 1310 N VAL A 168 7.548 -20.570 -12.469 1.00 51.55 N ATOM 1311 CA VAL A 168 8.721 -21.107 -11.790 1.00 64.01 C ATOM 1312 C VAL A 168 9.193 -22.399 -12.448 1.00 10.40 C ATOM 1313 O VAL A 168 8.405 -23.121 -13.058 1.00 41.54 O ATOM 1314 CB VAL A 168 8.435 -21.377 -10.302 1.00 22.31 C ATOM 1315 CG1 VAL A 168 8.554 -20.094 -9.493 1.00 30.42 C ATOM 1316 CG2 VAL A 168 7.058 -22.000 -10.129 1.00 74.30 C ATOM 0 H VAL A 168 6.743 -21.197 -12.479 1.00 51.55 H new ATOM 0 HA VAL A 168 9.505 -20.354 -11.870 1.00 64.01 H new ATOM 0 HB VAL A 168 9.178 -22.083 -9.930 1.00 22.31 H new ATOM 0 HG11 VAL A 168 8.348 -20.305 -8.444 1.00 30.42 H new ATOM 0 HG12 VAL A 168 9.563 -19.694 -9.592 1.00 30.42 H new ATOM 0 HG13 VAL A 168 7.836 -19.362 -9.863 1.00 30.42 H new ATOM 0 HG21 VAL A 168 6.872 -22.184 -9.071 1.00 74.30 H new ATOM 0 HG22 VAL A 168 6.300 -21.320 -10.518 1.00 74.30 H new ATOM 0 HG23 VAL A 168 7.014 -22.943 -10.675 1.00 74.30 H new ATOM 1326 N SER A 169 10.485 -22.684 -12.320 1.00 61.10 N ATOM 1327 CA SER A 169 11.065 -23.888 -12.904 1.00 42.35 C ATOM 1328 C SER A 169 10.589 -25.135 -12.164 1.00 41.01 C ATOM 1329 O SER A 169 10.122 -25.054 -11.028 1.00 55.21 O ATOM 1330 CB SER A 169 12.592 -23.813 -12.871 1.00 11.22 C ATOM 1331 OG SER A 169 13.160 -24.499 -13.973 1.00 62.55 O ATOM 0 H SER A 169 11.150 -22.097 -11.817 1.00 61.10 H new ATOM 0 HA SER A 169 10.735 -23.954 -13.941 1.00 42.35 H new ATOM 0 HB2 SER A 169 12.908 -22.770 -12.886 1.00 11.22 H new ATOM 0 HB3 SER A 169 12.960 -24.245 -11.941 1.00 11.22 H new ATOM 0 HG SER A 169 13.173 -25.461 -13.788 1.00 62.55 H new ATOM 1337 N ARG A 170 10.711 -26.285 -12.816 1.00 13.32 N ATOM 1338 CA ARG A 170 10.293 -27.549 -12.222 1.00 64.45 C ATOM 1339 C ARG A 170 11.459 -28.530 -12.154 1.00 32.44 C ATOM 1340 O ARG A 170 11.558 -29.330 -11.223 1.00 71.21 O ATOM 1341 CB ARG A 170 9.144 -28.161 -13.027 1.00 3.01 C ATOM 1342 CG ARG A 170 9.571 -28.701 -14.383 1.00 21.22 C ATOM 1343 CD ARG A 170 8.413 -29.374 -15.102 1.00 64.43 C ATOM 1344 NE ARG A 170 8.868 -30.440 -15.992 1.00 33.33 N ATOM 1345 CZ ARG A 170 8.049 -31.182 -16.729 1.00 12.34 C ATOM 1346 NH1 ARG A 170 6.740 -30.974 -16.685 1.00 3.35 N1+ ATOM 1347 NH2 ARG A 170 8.538 -32.133 -17.514 1.00 44.41 N ATOM 0 H ARG A 170 11.096 -26.368 -13.757 1.00 13.32 H new ATOM 0 HA ARG A 170 9.950 -27.348 -11.207 1.00 64.45 H new ATOM 0 HB2 ARG A 170 8.696 -28.969 -12.448 1.00 3.01 H new ATOM 0 HB3 ARG A 170 8.371 -27.406 -13.173 1.00 3.01 H new ATOM 0 HG2 ARG A 170 9.957 -27.886 -14.995 1.00 21.22 H new ATOM 0 HG3 ARG A 170 10.384 -29.415 -14.252 1.00 21.22 H new ATOM 0 HD2 ARG A 170 7.720 -29.785 -14.368 1.00 64.43 H new ATOM 0 HD3 ARG A 170 7.863 -28.630 -15.678 1.00 64.43 H new ATOM 0 HE ARG A 170 9.869 -30.624 -16.051 1.00 33.33 H new ATOM 0 HH11 ARG A 170 6.360 -30.243 -16.084 1.00 3.35 H new ATOM 0 HH12 ARG A 170 6.113 -31.545 -17.252 1.00 3.35 H new ATOM 0 HH21 ARG A 170 9.544 -32.295 -17.552 1.00 44.41 H new ATOM 0 HH22 ARG A 170 7.908 -32.702 -18.079 1.00 44.41 H new ATOM 1361 N ARG A 171 12.341 -28.463 -13.147 1.00 61.43 N ATOM 1362 CA ARG A 171 13.499 -29.347 -13.200 1.00 54.13 C ATOM 1363 C ARG A 171 14.625 -28.822 -12.312 1.00 41.13 C ATOM 1364 O ARG A 171 15.368 -29.598 -11.713 1.00 64.11 O ATOM 1365 CB ARG A 171 13.996 -29.485 -14.641 1.00 13.15 C ATOM 1366 CG ARG A 171 14.795 -30.753 -14.889 1.00 24.35 C ATOM 1367 CD ARG A 171 13.886 -31.948 -15.126 1.00 42.03 C ATOM 1368 NE ARG A 171 14.491 -32.928 -16.023 1.00 64.34 N ATOM 1369 CZ ARG A 171 13.936 -34.101 -16.314 1.00 51.24 C ATOM 1370 NH1 ARG A 171 12.770 -34.436 -15.780 1.00 23.41 N1+ ATOM 1371 NH2 ARG A 171 14.549 -34.938 -17.141 1.00 34.32 N ATOM 0 H ARG A 171 12.275 -27.806 -13.925 1.00 61.43 H new ATOM 0 HA ARG A 171 13.194 -30.326 -12.831 1.00 54.13 H new ATOM 0 HB2 ARG A 171 13.140 -29.467 -15.315 1.00 13.15 H new ATOM 0 HB3 ARG A 171 14.614 -28.622 -14.888 1.00 13.15 H new ATOM 0 HG2 ARG A 171 15.444 -30.612 -15.753 1.00 24.35 H new ATOM 0 HG3 ARG A 171 15.441 -30.950 -14.034 1.00 24.35 H new ATOM 0 HD2 ARG A 171 13.656 -32.423 -14.172 1.00 42.03 H new ATOM 0 HD3 ARG A 171 12.941 -31.606 -15.548 1.00 42.03 H new ATOM 0 HE ARG A 171 15.389 -32.701 -16.450 1.00 64.34 H new ATOM 0 HH11 ARG A 171 12.297 -33.794 -15.145 1.00 23.41 H new ATOM 0 HH12 ARG A 171 12.346 -35.336 -16.005 1.00 23.41 H new ATOM 0 HH21 ARG A 171 15.446 -34.682 -17.554 1.00 34.32 H new ATOM 0 HH22 ARG A 171 14.123 -35.838 -17.364 1.00 34.32 H new ATOM 1385 N ALA A 172 14.742 -27.501 -12.233 1.00 63.40 N ATOM 1386 CA ALA A 172 15.774 -26.873 -11.418 1.00 2.13 C ATOM 1387 C ALA A 172 15.335 -26.767 -9.961 1.00 45.02 C ATOM 1388 O ALA A 172 16.165 -26.733 -9.052 1.00 44.21 O ATOM 1389 CB ALA A 172 16.118 -25.497 -11.968 1.00 62.22 C ATOM 0 H ALA A 172 14.135 -26.845 -12.724 1.00 63.40 H new ATOM 0 HA ALA A 172 16.664 -27.501 -11.458 1.00 2.13 H new ATOM 0 HB1 ALA A 172 16.890 -25.040 -11.349 1.00 62.22 H new ATOM 0 HB2 ALA A 172 16.483 -25.595 -12.990 1.00 62.22 H new ATOM 0 HB3 ALA A 172 15.227 -24.869 -11.959 1.00 62.22 H new ATOM 1395 N VAL A 173 14.024 -26.715 -9.746 1.00 4.21 N ATOM 1396 CA VAL A 173 13.474 -26.613 -8.399 1.00 11.43 C ATOM 1397 C VAL A 173 13.928 -27.781 -7.530 1.00 14.32 C ATOM 1398 O VAL A 173 13.895 -27.704 -6.302 1.00 63.23 O ATOM 1399 CB VAL A 173 11.935 -26.574 -8.424 1.00 61.53 C ATOM 1400 CG1 VAL A 173 11.369 -27.958 -8.704 1.00 60.30 C ATOM 1401 CG2 VAL A 173 11.396 -26.025 -7.111 1.00 52.12 C ATOM 0 H VAL A 173 13.323 -26.742 -10.487 1.00 4.21 H new ATOM 0 HA VAL A 173 13.847 -25.681 -7.974 1.00 11.43 H new ATOM 0 HB VAL A 173 11.619 -25.909 -9.228 1.00 61.53 H new ATOM 0 HG11 VAL A 173 10.280 -27.910 -8.718 1.00 60.30 H new ATOM 0 HG12 VAL A 173 11.729 -28.309 -9.671 1.00 60.30 H new ATOM 0 HG13 VAL A 173 11.692 -28.648 -7.924 1.00 60.30 H new ATOM 0 HG21 VAL A 173 10.307 -26.004 -7.145 1.00 52.12 H new ATOM 0 HG22 VAL A 173 11.721 -26.663 -6.289 1.00 52.12 H new ATOM 0 HG23 VAL A 173 11.774 -25.014 -6.957 1.00 52.12 H new ATOM 1411 N ILE A 174 14.352 -28.862 -8.177 1.00 53.34 N ATOM 1412 CA ILE A 174 14.815 -30.046 -7.463 1.00 61.21 C ATOM 1413 C ILE A 174 15.896 -29.688 -6.448 1.00 61.34 C ATOM 1414 O ILE A 174 16.056 -30.365 -5.433 1.00 73.44 O ATOM 1415 CB ILE A 174 15.366 -31.108 -8.431 1.00 31.14 C ATOM 1416 CG1 ILE A 174 16.642 -30.600 -9.107 1.00 21.44 C ATOM 1417 CG2 ILE A 174 14.318 -31.471 -9.473 1.00 1.52 C ATOM 1418 CD1 ILE A 174 17.261 -31.600 -10.058 1.00 43.50 C ATOM 0 H ILE A 174 14.384 -28.942 -9.193 1.00 53.34 H new ATOM 0 HA ILE A 174 13.951 -30.457 -6.940 1.00 61.21 H new ATOM 0 HB ILE A 174 15.610 -32.005 -7.862 1.00 31.14 H new ATOM 0 HG12 ILE A 174 16.414 -29.684 -9.653 1.00 21.44 H new ATOM 0 HG13 ILE A 174 17.372 -30.341 -8.340 1.00 21.44 H new ATOM 0 HG21 ILE A 174 14.723 -32.223 -10.150 1.00 1.52 H new ATOM 0 HG22 ILE A 174 13.433 -31.869 -8.976 1.00 1.52 H new ATOM 0 HG23 ILE A 174 14.046 -30.581 -10.041 1.00 1.52 H new ATOM 0 HD11 ILE A 174 18.161 -31.173 -10.500 1.00 43.50 H new ATOM 0 HD12 ILE A 174 17.520 -32.508 -9.513 1.00 43.50 H new ATOM 0 HD13 ILE A 174 16.548 -31.841 -10.847 1.00 43.50 H new ATOM 1430 N GLU A 175 16.634 -28.619 -6.730 1.00 41.14 N ATOM 1431 CA GLU A 175 17.700 -28.172 -5.841 1.00 41.22 C ATOM 1432 C GLU A 175 17.156 -27.233 -4.768 1.00 41.13 C ATOM 1433 O GLU A 175 17.659 -27.197 -3.646 1.00 64.54 O ATOM 1434 CB GLU A 175 18.799 -27.468 -6.640 1.00 45.13 C ATOM 1435 CG GLU A 175 18.428 -26.060 -7.076 1.00 52.34 C ATOM 1436 CD GLU A 175 19.122 -25.643 -8.357 1.00 64.43 C ATOM 1437 OE1 GLU A 175 20.356 -25.452 -8.330 1.00 72.13 O ATOM 1438 OE2 GLU A 175 18.431 -25.509 -9.389 1.00 13.32 O1- ATOM 0 H GLU A 175 16.514 -28.047 -7.566 1.00 41.14 H new ATOM 0 HA GLU A 175 18.122 -29.050 -5.352 1.00 41.22 H new ATOM 0 HB2 GLU A 175 19.705 -27.425 -6.036 1.00 45.13 H new ATOM 0 HB3 GLU A 175 19.032 -28.063 -7.523 1.00 45.13 H new ATOM 0 HG2 GLU A 175 17.349 -26.000 -7.216 1.00 52.34 H new ATOM 0 HG3 GLU A 175 18.686 -25.358 -6.283 1.00 52.34 H new ATOM 1445 N SER A 176 16.123 -26.475 -5.123 1.00 33.30 N ATOM 1446 CA SER A 176 15.512 -25.532 -4.192 1.00 74.04 C ATOM 1447 C SER A 176 14.624 -26.260 -3.187 1.00 63.41 C ATOM 1448 O SER A 176 14.388 -25.770 -2.084 1.00 54.23 O ATOM 1449 CB SER A 176 14.692 -24.490 -4.955 1.00 15.31 C ATOM 1450 OG SER A 176 14.511 -23.317 -4.180 1.00 72.12 O ATOM 0 H SER A 176 15.692 -26.495 -6.047 1.00 33.30 H new ATOM 0 HA SER A 176 16.310 -25.028 -3.647 1.00 74.04 H new ATOM 0 HB2 SER A 176 15.195 -24.239 -5.889 1.00 15.31 H new ATOM 0 HB3 SER A 176 13.721 -24.909 -5.219 1.00 15.31 H new ATOM 0 HG SER A 176 14.665 -22.528 -4.740 1.00 72.12 H new ATOM 1456 N GLU A 177 14.134 -27.432 -3.580 1.00 54.35 N ATOM 1457 CA GLU A 177 13.271 -28.226 -2.714 1.00 44.40 C ATOM 1458 C GLU A 177 13.997 -28.611 -1.427 1.00 62.41 C ATOM 1459 O GLU A 177 13.386 -28.708 -0.364 1.00 45.33 O ATOM 1460 CB GLU A 177 12.800 -29.486 -3.444 1.00 54.14 C ATOM 1461 CG GLU A 177 11.629 -29.245 -4.380 1.00 45.50 C ATOM 1462 CD GLU A 177 10.894 -30.522 -4.737 1.00 30.24 C ATOM 1463 OE1 GLU A 177 11.131 -31.549 -4.067 1.00 54.53 O1- ATOM 1464 OE2 GLU A 177 10.082 -30.496 -5.685 1.00 1.22 O ATOM 0 H GLU A 177 14.320 -27.852 -4.491 1.00 54.35 H new ATOM 0 HA GLU A 177 12.403 -27.620 -2.453 1.00 44.40 H new ATOM 0 HB2 GLU A 177 13.632 -29.897 -4.015 1.00 54.14 H new ATOM 0 HB3 GLU A 177 12.517 -30.238 -2.707 1.00 54.14 H new ATOM 0 HG2 GLU A 177 10.933 -28.548 -3.913 1.00 45.50 H new ATOM 0 HG3 GLU A 177 11.990 -28.771 -5.293 1.00 45.50 H new ATOM 1471 N ASN A 178 15.303 -28.829 -1.535 1.00 31.53 N ATOM 1472 CA ASN A 178 16.112 -29.205 -0.382 1.00 54.34 C ATOM 1473 C ASN A 178 17.270 -28.229 -0.188 1.00 61.14 C ATOM 1474 O ASN A 178 18.419 -28.639 -0.025 1.00 23.32 O ATOM 1475 CB ASN A 178 16.651 -30.627 -0.551 1.00 24.22 C ATOM 1476 CG ASN A 178 17.203 -31.194 0.741 1.00 53.15 C ATOM 1477 OD1 ASN A 178 16.920 -30.687 1.827 1.00 22.43 O ATOM 1478 ND2 ASN A 178 17.997 -32.253 0.632 1.00 41.11 N ATOM 0 H ASN A 178 15.824 -28.752 -2.409 1.00 31.53 H new ATOM 0 HA ASN A 178 15.477 -29.168 0.503 1.00 54.34 H new ATOM 0 HB2 ASN A 178 15.853 -31.274 -0.917 1.00 24.22 H new ATOM 0 HB3 ASN A 178 17.435 -30.628 -1.309 1.00 24.22 H new ATOM 0 HD21 ASN A 178 18.398 -32.678 1.468 1.00 41.11 H new ATOM 0 HD22 ASN A 178 18.206 -32.642 -0.288 1.00 41.11 H new ATOM 1485 N SER A 179 16.957 -26.938 -0.207 1.00 21.43 N ATOM 1486 CA SER A 179 17.971 -25.903 -0.037 1.00 15.51 C ATOM 1487 C SER A 179 18.818 -26.172 1.203 1.00 64.24 C ATOM 1488 O SER A 179 18.314 -26.644 2.221 1.00 71.22 O ATOM 1489 CB SER A 179 17.312 -24.527 0.070 1.00 21.23 C ATOM 1490 OG SER A 179 18.279 -23.515 0.292 1.00 74.50 O ATOM 0 H SER A 179 16.010 -26.583 -0.338 1.00 21.43 H new ATOM 0 HA SER A 179 18.622 -25.919 -0.911 1.00 15.51 H new ATOM 0 HB2 SER A 179 16.760 -24.312 -0.845 1.00 21.23 H new ATOM 0 HB3 SER A 179 16.589 -24.529 0.886 1.00 21.23 H new ATOM 0 HG SER A 179 17.833 -22.645 0.355 1.00 74.50 H new