USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=14 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+ 165:sc= -0.235 (180deg=-0.511) USER MOD Single : A 92 HIS : no HD1:sc= -0.349 K(o=-0.35,f=-3.6) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot -29:sc= 0.255 USER MOD Single : A 107 THR OG1 : rot 43:sc= 0.895 USER MOD Single : A 109 THR OG1 : rot 37:sc= 0.12 USER MOD Single : A 113 ASN : amide:sc= -0.0636 K(o=-0.064,f=-1.1!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0801) USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.353 USER MOD Single : A 125 ASN : amide:sc= -0.727 X(o=-0.73,f=-0.4) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 HIS : no HD1:sc= -0.91 K(o=-0.91,f=-2.4) USER MOD Single : A 150 LYS NZ :NH3+ -122:sc= -1.53! (180deg=-3.44!) USER MOD Single : A 155 LYS NZ :NH3+ -160:sc= -0.0322 (180deg=-0.252) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= -0.324 K(o=-0.32,f=-7.2!) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 ASN : amide:sc= -0.0914 X(o=-0.091,f=0) USER MOD Single : A 165 ASN : amide:sc= -0.326 K(o=-0.33,f=-1) USER MOD Single : A 169 SER OG : rot -150:sc= -0.507 USER MOD Single : A 176 SER OG : rot -56:sc= 1.02 USER MOD Single : A 178 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.3!) USER MOD Single : A 179 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 16 N LYS A 88 2.165 -6.188 -1.571 1.00 40.53 N ATOM 17 CA LYS A 88 1.042 -5.278 -1.766 1.00 63.05 C ATOM 18 C LYS A 88 0.746 -5.090 -3.251 1.00 52.21 C ATOM 19 O LYS A 88 1.398 -5.691 -4.103 1.00 53.22 O ATOM 20 CB LYS A 88 1.340 -3.924 -1.118 1.00 43.40 C ATOM 21 CG LYS A 88 1.348 -3.963 0.399 1.00 73.43 C ATOM 22 CD LYS A 88 -0.056 -3.849 0.968 1.00 72.30 C ATOM 23 CE LYS A 88 -0.080 -4.149 2.460 1.00 5.41 C ATOM 24 NZ LYS A 88 -1.469 -4.187 2.996 1.00 62.21 N1+ ATOM 0 HA LYS A 88 0.164 -5.716 -1.292 1.00 63.05 H new ATOM 0 HB2 LYS A 88 2.309 -3.569 -1.469 1.00 43.40 H new ATOM 0 HB3 LYS A 88 0.596 -3.200 -1.450 1.00 43.40 H new ATOM 0 HG2 LYS A 88 1.804 -4.893 0.737 1.00 73.43 H new ATOM 0 HG3 LYS A 88 1.964 -3.149 0.781 1.00 73.43 H new ATOM 0 HD2 LYS A 88 -0.441 -2.844 0.792 1.00 72.30 H new ATOM 0 HD3 LYS A 88 -0.718 -4.540 0.446 1.00 72.30 H new ATOM 0 HE2 LYS A 88 0.407 -5.106 2.646 1.00 5.41 H new ATOM 0 HE3 LYS A 88 0.494 -3.390 2.992 1.00 5.41 H new ATOM 0 HZ1 LYS A 88 -1.442 -4.394 4.015 1.00 62.21 H new ATOM 0 HZ2 LYS A 88 -1.926 -3.266 2.842 1.00 62.21 H new ATOM 0 HZ3 LYS A 88 -2.010 -4.928 2.506 1.00 62.21 H new ATOM 38 N ALA A 89 -0.238 -4.250 -3.551 1.00 2.12 N ATOM 39 CA ALA A 89 -0.618 -3.980 -4.932 1.00 32.13 C ATOM 40 C ALA A 89 0.366 -3.022 -5.594 1.00 63.45 C ATOM 41 O ALA A 89 0.721 -3.188 -6.762 1.00 5.31 O ATOM 42 CB ALA A 89 -2.029 -3.415 -4.991 1.00 44.04 C ATOM 0 H ALA A 89 -0.787 -3.744 -2.856 1.00 2.12 H new ATOM 0 HA ALA A 89 -0.593 -4.922 -5.480 1.00 32.13 H new ATOM 0 HB1 ALA A 89 -2.299 -3.218 -6.029 1.00 44.04 H new ATOM 0 HB2 ALA A 89 -2.727 -4.135 -4.565 1.00 44.04 H new ATOM 0 HB3 ALA A 89 -2.073 -2.486 -4.422 1.00 44.04 H new ATOM 48 N LYS A 90 0.804 -2.018 -4.843 1.00 51.00 N ATOM 49 CA LYS A 90 1.748 -1.033 -5.356 1.00 61.25 C ATOM 50 C LYS A 90 3.051 -1.700 -5.786 1.00 14.35 C ATOM 51 O LYS A 90 3.818 -1.136 -6.567 1.00 71.13 O ATOM 52 CB LYS A 90 2.035 0.031 -4.293 1.00 41.44 C ATOM 53 CG LYS A 90 2.555 -0.541 -2.985 1.00 65.43 C ATOM 54 CD LYS A 90 4.072 -0.624 -2.978 1.00 32.40 C ATOM 55 CE LYS A 90 4.619 -0.687 -1.560 1.00 73.34 C ATOM 56 NZ LYS A 90 4.162 -1.908 -0.842 1.00 11.23 N1+ ATOM 0 H LYS A 90 0.520 -1.865 -3.875 1.00 51.00 H new ATOM 0 HA LYS A 90 1.299 -0.556 -6.227 1.00 61.25 H new ATOM 0 HB2 LYS A 90 2.765 0.738 -4.687 1.00 41.44 H new ATOM 0 HB3 LYS A 90 1.121 0.592 -4.097 1.00 41.44 H new ATOM 0 HG2 LYS A 90 2.220 0.082 -2.156 1.00 65.43 H new ATOM 0 HG3 LYS A 90 2.134 -1.534 -2.828 1.00 65.43 H new ATOM 0 HD2 LYS A 90 4.392 -1.506 -3.532 1.00 32.40 H new ATOM 0 HD3 LYS A 90 4.488 0.243 -3.491 1.00 32.40 H new ATOM 0 HE2 LYS A 90 5.708 -0.670 -1.590 1.00 73.34 H new ATOM 0 HE3 LYS A 90 4.302 0.198 -1.009 1.00 73.34 H new ATOM 0 HZ1 LYS A 90 4.743 -2.048 0.009 1.00 11.23 H new ATOM 0 HZ2 LYS A 90 3.166 -1.796 -0.566 1.00 11.23 H new ATOM 0 HZ3 LYS A 90 4.258 -2.734 -1.466 1.00 11.23 H new ATOM 70 N ARG A 91 3.292 -2.902 -5.275 1.00 52.32 N ATOM 71 CA ARG A 91 4.502 -3.644 -5.608 1.00 73.43 C ATOM 72 C ARG A 91 4.592 -3.892 -7.110 1.00 12.01 C ATOM 73 O ARG A 91 5.672 -4.147 -7.645 1.00 55.01 O ATOM 74 CB ARG A 91 4.530 -4.977 -4.858 1.00 55.15 C ATOM 75 CG ARG A 91 5.919 -5.582 -4.741 1.00 43.31 C ATOM 76 CD ARG A 91 6.680 -5.003 -3.559 1.00 24.02 C ATOM 77 NE ARG A 91 8.006 -5.599 -3.416 1.00 52.32 N ATOM 78 CZ ARG A 91 8.768 -5.448 -2.338 1.00 52.22 C ATOM 79 NH1 ARG A 91 8.337 -4.726 -1.314 1.00 64.04 N1+ ATOM 80 NH2 ARG A 91 9.963 -6.023 -2.284 1.00 70.21 N ATOM 0 H ARG A 91 2.666 -3.383 -4.629 1.00 52.32 H new ATOM 0 HA ARG A 91 5.361 -3.045 -5.304 1.00 73.43 H new ATOM 0 HB2 ARG A 91 4.122 -4.830 -3.858 1.00 55.15 H new ATOM 0 HB3 ARG A 91 3.877 -5.685 -5.368 1.00 55.15 H new ATOM 0 HG2 ARG A 91 5.838 -6.663 -4.629 1.00 43.31 H new ATOM 0 HG3 ARG A 91 6.476 -5.398 -5.660 1.00 43.31 H new ATOM 0 HD2 ARG A 91 6.779 -3.925 -3.685 1.00 24.02 H new ATOM 0 HD3 ARG A 91 6.109 -5.166 -2.645 1.00 24.02 H new ATOM 0 HE ARG A 91 8.367 -6.162 -4.186 1.00 52.32 H new ATOM 0 HH11 ARG A 91 7.418 -4.285 -1.352 1.00 64.04 H new ATOM 0 HH12 ARG A 91 8.924 -4.612 -0.488 1.00 64.04 H new ATOM 0 HH21 ARG A 91 10.297 -6.581 -3.070 1.00 70.21 H new ATOM 0 HH22 ARG A 91 10.548 -5.907 -1.456 1.00 70.21 H new ATOM 94 N HIS A 92 3.450 -3.815 -7.787 1.00 20.10 N ATOM 95 CA HIS A 92 3.399 -4.031 -9.228 1.00 61.12 C ATOM 96 C HIS A 92 4.433 -3.165 -9.944 1.00 44.23 C ATOM 97 O HIS A 92 4.961 -3.548 -10.987 1.00 34.04 O ATOM 98 CB HIS A 92 2.001 -3.722 -9.763 1.00 61.10 C ATOM 99 CG HIS A 92 1.706 -2.257 -9.860 1.00 44.40 C ATOM 100 ND1 HIS A 92 1.595 -1.436 -8.757 1.00 73.45 N ATOM 101 CD2 HIS A 92 1.502 -1.465 -10.938 1.00 35.45 C ATOM 102 CE1 HIS A 92 1.333 -0.204 -9.153 1.00 42.11 C ATOM 103 NE2 HIS A 92 1.271 -0.193 -10.472 1.00 11.35 N ATOM 0 H HIS A 92 2.548 -3.605 -7.360 1.00 20.10 H new ATOM 0 HA HIS A 92 3.630 -5.078 -9.421 1.00 61.12 H new ATOM 0 HB2 HIS A 92 1.891 -4.172 -10.750 1.00 61.10 H new ATOM 0 HB3 HIS A 92 1.261 -4.191 -9.114 1.00 61.10 H new ATOM 0 HD2 HIS A 92 1.518 -1.775 -11.972 1.00 35.45 H new ATOM 0 HE1 HIS A 92 1.193 0.650 -8.507 1.00 42.11 H new ATOM 0 HE2 HIS A 92 1.082 0.626 -11.050 1.00 11.35 H new ATOM 111 N GLU A 93 4.714 -1.997 -9.375 1.00 62.03 N ATOM 112 CA GLU A 93 5.683 -1.077 -9.961 1.00 22.40 C ATOM 113 C GLU A 93 7.109 -1.496 -9.614 1.00 33.12 C ATOM 114 O GLU A 93 7.985 -1.527 -10.477 1.00 63.31 O ATOM 115 CB GLU A 93 5.426 0.349 -9.471 1.00 71.43 C ATOM 116 CG GLU A 93 6.156 1.410 -10.277 1.00 15.43 C ATOM 117 CD GLU A 93 5.491 2.770 -10.191 1.00 43.51 C ATOM 118 OE1 GLU A 93 5.051 3.147 -9.084 1.00 60.32 O1- ATOM 119 OE2 GLU A 93 5.409 3.457 -11.230 1.00 11.33 O ATOM 0 H GLU A 93 4.286 -1.666 -8.511 1.00 62.03 H new ATOM 0 HA GLU A 93 5.566 -1.108 -11.044 1.00 22.40 H new ATOM 0 HB2 GLU A 93 4.355 0.549 -9.508 1.00 71.43 H new ATOM 0 HB3 GLU A 93 5.729 0.426 -8.427 1.00 71.43 H new ATOM 0 HG2 GLU A 93 7.183 1.489 -9.920 1.00 15.43 H new ATOM 0 HG3 GLU A 93 6.204 1.099 -11.321 1.00 15.43 H new ATOM 126 N ALA A 94 7.333 -1.817 -8.344 1.00 71.42 N ATOM 127 CA ALA A 94 8.651 -2.235 -7.883 1.00 50.12 C ATOM 128 C ALA A 94 9.093 -3.521 -8.574 1.00 2.41 C ATOM 129 O ALA A 94 10.274 -3.867 -8.566 1.00 44.00 O ATOM 130 CB ALA A 94 8.648 -2.419 -6.373 1.00 70.33 C ATOM 0 H ALA A 94 6.619 -1.796 -7.616 1.00 71.42 H new ATOM 0 HA ALA A 94 9.364 -1.452 -8.141 1.00 50.12 H new ATOM 0 HB1 ALA A 94 9.639 -2.731 -6.043 1.00 70.33 H new ATOM 0 HB2 ALA A 94 8.385 -1.477 -5.892 1.00 70.33 H new ATOM 0 HB3 ALA A 94 7.918 -3.181 -6.101 1.00 70.33 H new ATOM 136 N TRP A 95 8.136 -4.224 -9.168 1.00 33.54 N ATOM 137 CA TRP A 95 8.427 -5.474 -9.863 1.00 2.43 C ATOM 138 C TRP A 95 9.454 -5.256 -10.968 1.00 64.44 C ATOM 139 O TRP A 95 10.131 -6.193 -11.392 1.00 61.23 O ATOM 140 CB TRP A 95 7.144 -6.064 -10.451 1.00 2.15 C ATOM 141 CG TRP A 95 6.272 -6.727 -9.430 1.00 41.24 C ATOM 142 CD1 TRP A 95 6.537 -6.878 -8.098 1.00 14.00 C ATOM 143 CD2 TRP A 95 4.994 -7.332 -9.656 1.00 42.31 C ATOM 144 NE1 TRP A 95 5.502 -7.538 -7.483 1.00 71.33 N ATOM 145 CE2 TRP A 95 4.542 -7.827 -8.417 1.00 74.32 C ATOM 146 CE3 TRP A 95 4.186 -7.500 -10.783 1.00 42.51 C ATOM 147 CZ2 TRP A 95 3.320 -8.480 -8.278 1.00 53.54 C ATOM 148 CZ3 TRP A 95 2.974 -8.148 -10.644 1.00 13.11 C ATOM 149 CH2 TRP A 95 2.550 -8.632 -9.399 1.00 33.31 C ATOM 0 H TRP A 95 7.153 -3.951 -9.183 1.00 33.54 H new ATOM 0 HA TRP A 95 8.843 -6.175 -9.140 1.00 2.43 H new ATOM 0 HB2 TRP A 95 6.579 -5.271 -10.940 1.00 2.15 H new ATOM 0 HB3 TRP A 95 7.406 -6.790 -11.221 1.00 2.15 H new ATOM 0 HD1 TRP A 95 7.430 -6.529 -7.601 1.00 14.00 H new ATOM 0 HE1 TRP A 95 5.455 -7.775 -6.492 1.00 71.33 H new ATOM 0 HE3 TRP A 95 4.503 -7.130 -11.747 1.00 42.51 H new ATOM 0 HZ2 TRP A 95 2.992 -8.853 -7.319 1.00 53.54 H new ATOM 0 HZ3 TRP A 95 2.342 -8.284 -11.509 1.00 13.11 H new ATOM 0 HH2 TRP A 95 1.597 -9.135 -9.323 1.00 33.31 H new ATOM 160 N ILE A 96 9.565 -4.015 -11.430 1.00 55.12 N ATOM 161 CA ILE A 96 10.513 -3.675 -12.485 1.00 34.21 C ATOM 162 C ILE A 96 11.920 -4.141 -12.130 1.00 70.15 C ATOM 163 O ILE A 96 12.713 -4.483 -13.009 1.00 2.25 O ATOM 164 CB ILE A 96 10.538 -2.159 -12.751 1.00 32.45 C ATOM 165 CG1 ILE A 96 10.972 -1.405 -11.492 1.00 12.32 C ATOM 166 CG2 ILE A 96 9.170 -1.680 -13.217 1.00 51.44 C ATOM 167 CD1 ILE A 96 11.036 0.095 -11.679 1.00 41.21 C ATOM 0 H ILE A 96 9.011 -3.229 -11.091 1.00 55.12 H new ATOM 0 HA ILE A 96 10.180 -4.188 -13.387 1.00 34.21 H new ATOM 0 HB ILE A 96 11.261 -1.956 -13.541 1.00 32.45 H new ATOM 0 HG12 ILE A 96 10.277 -1.633 -10.684 1.00 12.32 H new ATOM 0 HG13 ILE A 96 11.952 -1.767 -11.181 1.00 12.32 H new ATOM 0 HG21 ILE A 96 9.204 -0.606 -13.401 1.00 51.44 H new ATOM 0 HG22 ILE A 96 8.897 -2.197 -14.137 1.00 51.44 H new ATOM 0 HG23 ILE A 96 8.428 -1.893 -12.447 1.00 51.44 H new ATOM 0 HD11 ILE A 96 11.350 0.565 -10.747 1.00 41.21 H new ATOM 0 HD12 ILE A 96 11.752 0.333 -12.465 1.00 41.21 H new ATOM 0 HD13 ILE A 96 10.051 0.469 -11.960 1.00 41.21 H new ATOM 179 N THR A 97 12.227 -4.153 -10.837 1.00 51.42 N ATOM 180 CA THR A 97 13.538 -4.578 -10.366 1.00 31.44 C ATOM 181 C THR A 97 13.709 -6.087 -10.501 1.00 41.10 C ATOM 182 O THR A 97 14.820 -6.581 -10.698 1.00 50.20 O ATOM 183 CB THR A 97 13.764 -4.178 -8.896 1.00 14.40 C ATOM 184 OG1 THR A 97 15.136 -4.376 -8.539 1.00 50.05 O ATOM 185 CG2 THR A 97 12.872 -4.992 -7.970 1.00 60.33 C ATOM 0 H THR A 97 11.584 -3.873 -10.097 1.00 51.42 H new ATOM 0 HA THR A 97 14.276 -4.074 -10.990 1.00 31.44 H new ATOM 0 HB THR A 97 13.509 -3.124 -8.787 1.00 14.40 H new ATOM 0 HG1 THR A 97 15.271 -4.118 -7.603 1.00 50.05 H new ATOM 0 HG21 THR A 97 13.049 -4.692 -6.937 1.00 60.33 H new ATOM 0 HG22 THR A 97 11.827 -4.816 -8.225 1.00 60.33 H new ATOM 0 HG23 THR A 97 13.100 -6.052 -8.084 1.00 60.33 H new ATOM 193 N LEU A 98 12.603 -6.815 -10.397 1.00 70.21 N ATOM 194 CA LEU A 98 12.630 -8.269 -10.509 1.00 75.55 C ATOM 195 C LEU A 98 12.997 -8.698 -11.926 1.00 22.22 C ATOM 196 O LEU A 98 13.446 -9.823 -12.146 1.00 13.11 O ATOM 197 CB LEU A 98 11.272 -8.856 -10.120 1.00 74.34 C ATOM 198 CG LEU A 98 10.626 -8.276 -8.862 1.00 35.43 C ATOM 199 CD1 LEU A 98 9.231 -8.850 -8.665 1.00 20.42 C ATOM 200 CD2 LEU A 98 11.493 -8.551 -7.642 1.00 61.11 C ATOM 0 H LEU A 98 11.676 -6.422 -10.235 1.00 70.21 H new ATOM 0 HA LEU A 98 13.390 -8.648 -9.826 1.00 75.55 H new ATOM 0 HB2 LEU A 98 10.585 -8.715 -10.955 1.00 74.34 H new ATOM 0 HB3 LEU A 98 11.389 -9.931 -9.981 1.00 74.34 H new ATOM 0 HG LEU A 98 10.539 -7.197 -8.987 1.00 35.43 H new ATOM 0 HD11 LEU A 98 8.787 -8.426 -7.765 1.00 20.42 H new ATOM 0 HD12 LEU A 98 8.611 -8.603 -9.527 1.00 20.42 H new ATOM 0 HD13 LEU A 98 9.294 -9.933 -8.562 1.00 20.42 H new ATOM 0 HD21 LEU A 98 11.018 -8.131 -6.756 1.00 61.11 H new ATOM 0 HD22 LEU A 98 11.611 -9.627 -7.515 1.00 61.11 H new ATOM 0 HD23 LEU A 98 12.472 -8.092 -7.780 1.00 61.11 H new ATOM 212 N GLU A 99 12.805 -7.795 -12.882 1.00 4.44 N ATOM 213 CA GLU A 99 13.116 -8.081 -14.277 1.00 1.33 C ATOM 214 C GLU A 99 14.622 -8.025 -14.521 1.00 35.40 C ATOM 215 O GLU A 99 15.164 -8.799 -15.309 1.00 24.30 O ATOM 216 CB GLU A 99 12.403 -7.089 -15.196 1.00 15.35 C ATOM 217 CG GLU A 99 13.112 -6.867 -16.522 1.00 32.50 C ATOM 218 CD GLU A 99 12.159 -6.486 -17.637 1.00 23.42 C ATOM 219 OE1 GLU A 99 11.069 -5.958 -17.332 1.00 23.50 O1- ATOM 220 OE2 GLU A 99 12.503 -6.715 -18.816 1.00 0.21 O ATOM 0 H GLU A 99 12.435 -6.859 -12.716 1.00 4.44 H new ATOM 0 HA GLU A 99 12.766 -9.089 -14.501 1.00 1.33 H new ATOM 0 HB2 GLU A 99 11.392 -7.449 -15.390 1.00 15.35 H new ATOM 0 HB3 GLU A 99 12.308 -6.133 -14.680 1.00 15.35 H new ATOM 0 HG2 GLU A 99 13.859 -6.082 -16.403 1.00 32.50 H new ATOM 0 HG3 GLU A 99 13.646 -7.775 -16.800 1.00 32.50 H new ATOM 227 N LYS A 100 15.292 -7.102 -13.837 1.00 11.05 N ATOM 228 CA LYS A 100 16.735 -6.943 -13.978 1.00 40.42 C ATOM 229 C LYS A 100 17.479 -7.923 -13.077 1.00 54.22 C ATOM 230 O LYS A 100 18.641 -8.249 -13.325 1.00 73.30 O ATOM 231 CB LYS A 100 17.145 -5.508 -13.638 1.00 73.52 C ATOM 232 CG LYS A 100 16.866 -4.515 -14.753 1.00 14.42 C ATOM 233 CD LYS A 100 16.917 -3.082 -14.249 1.00 74.54 C ATOM 234 CE LYS A 100 18.338 -2.540 -14.258 1.00 0.53 C ATOM 235 NZ LYS A 100 18.457 -1.282 -13.471 1.00 11.21 N1+ ATOM 0 H LYS A 100 14.859 -6.453 -13.180 1.00 11.05 H new ATOM 0 HA LYS A 100 17.001 -7.155 -15.014 1.00 40.42 H new ATOM 0 HB2 LYS A 100 16.615 -5.191 -12.740 1.00 73.52 H new ATOM 0 HB3 LYS A 100 18.209 -5.489 -13.404 1.00 73.52 H new ATOM 0 HG2 LYS A 100 17.597 -4.647 -15.551 1.00 14.42 H new ATOM 0 HG3 LYS A 100 15.885 -4.716 -15.183 1.00 14.42 H new ATOM 0 HD2 LYS A 100 16.282 -2.453 -14.873 1.00 74.54 H new ATOM 0 HD3 LYS A 100 16.515 -3.036 -13.237 1.00 74.54 H new ATOM 0 HE2 LYS A 100 19.015 -3.290 -13.849 1.00 0.53 H new ATOM 0 HE3 LYS A 100 18.650 -2.356 -15.286 1.00 0.53 H new ATOM 0 HZ1 LYS A 100 19.440 -0.945 -13.502 1.00 11.21 H new ATOM 0 HZ2 LYS A 100 17.830 -0.558 -13.877 1.00 11.21 H new ATOM 0 HZ3 LYS A 100 18.184 -1.463 -12.484 1.00 11.21 H new ATOM 249 N ALA A 101 16.804 -8.391 -12.033 1.00 55.34 N ATOM 250 CA ALA A 101 17.402 -9.337 -11.098 1.00 52.53 C ATOM 251 C ALA A 101 17.478 -10.734 -11.705 1.00 52.15 C ATOM 252 O ALA A 101 18.349 -11.529 -11.350 1.00 73.43 O ATOM 253 CB ALA A 101 16.611 -9.366 -9.799 1.00 21.20 C ATOM 0 H ALA A 101 15.843 -8.131 -11.813 1.00 55.34 H new ATOM 0 HA ALA A 101 18.418 -9.006 -10.884 1.00 52.53 H new ATOM 0 HB1 ALA A 101 17.068 -10.076 -9.110 1.00 21.20 H new ATOM 0 HB2 ALA A 101 16.612 -8.373 -9.350 1.00 21.20 H new ATOM 0 HB3 ALA A 101 15.585 -9.670 -10.005 1.00 21.20 H new ATOM 259 N TYR A 102 16.563 -11.027 -12.620 1.00 21.11 N ATOM 260 CA TYR A 102 16.525 -12.330 -13.274 1.00 31.20 C ATOM 261 C TYR A 102 17.864 -12.650 -13.930 1.00 54.12 C ATOM 262 O TYR A 102 18.214 -13.815 -14.114 1.00 14.45 O ATOM 263 CB TYR A 102 15.410 -12.367 -14.321 1.00 13.11 C ATOM 264 CG TYR A 102 15.375 -13.647 -15.125 1.00 64.12 C ATOM 265 CD1 TYR A 102 15.138 -14.870 -14.509 1.00 0.35 C ATOM 266 CD2 TYR A 102 15.580 -13.634 -16.498 1.00 62.33 C ATOM 267 CE1 TYR A 102 15.106 -16.042 -15.239 1.00 40.03 C ATOM 268 CE2 TYR A 102 15.549 -14.802 -17.236 1.00 42.33 C ATOM 269 CZ TYR A 102 15.312 -16.003 -16.602 1.00 31.20 C ATOM 270 OH TYR A 102 15.282 -17.168 -17.334 1.00 20.33 O ATOM 0 H TYR A 102 15.837 -10.380 -12.927 1.00 21.11 H new ATOM 0 HA TYR A 102 16.325 -13.084 -12.513 1.00 31.20 H new ATOM 0 HB2 TYR A 102 14.450 -12.235 -13.822 1.00 13.11 H new ATOM 0 HB3 TYR A 102 15.534 -11.524 -15.001 1.00 13.11 H new ATOM 0 HD1 TYR A 102 14.976 -14.905 -13.442 1.00 0.35 H new ATOM 0 HD2 TYR A 102 15.767 -12.695 -16.998 1.00 62.33 H new ATOM 0 HE1 TYR A 102 14.921 -16.984 -14.745 1.00 40.03 H new ATOM 0 HE2 TYR A 102 15.710 -14.774 -18.304 1.00 42.33 H new ATOM 0 HH TYR A 102 15.566 -17.917 -16.769 1.00 20.33 H new ATOM 280 N GLU A 103 18.608 -11.605 -14.281 1.00 1.02 N ATOM 281 CA GLU A 103 19.909 -11.774 -14.917 1.00 60.41 C ATOM 282 C GLU A 103 20.807 -12.686 -14.086 1.00 12.44 C ATOM 283 O GLU A 103 21.692 -13.356 -14.617 1.00 10.12 O ATOM 284 CB GLU A 103 20.585 -10.415 -15.114 1.00 65.01 C ATOM 285 CG GLU A 103 20.999 -10.145 -16.551 1.00 0.13 C ATOM 286 CD GLU A 103 22.200 -9.224 -16.648 1.00 52.23 C ATOM 287 OE1 GLU A 103 22.057 -8.026 -16.323 1.00 62.03 O ATOM 288 OE2 GLU A 103 23.283 -9.701 -17.048 1.00 20.11 O1- ATOM 0 H GLU A 103 18.332 -10.634 -14.136 1.00 1.02 H new ATOM 0 HA GLU A 103 19.752 -12.238 -15.891 1.00 60.41 H new ATOM 0 HB2 GLU A 103 19.904 -9.629 -14.787 1.00 65.01 H new ATOM 0 HB3 GLU A 103 21.466 -10.360 -14.474 1.00 65.01 H new ATOM 0 HG2 GLU A 103 21.230 -11.090 -17.043 1.00 0.13 H new ATOM 0 HG3 GLU A 103 20.161 -9.702 -17.090 1.00 0.13 H new ATOM 295 N ASP A 104 20.573 -12.704 -12.778 1.00 24.32 N ATOM 296 CA ASP A 104 21.360 -13.533 -11.872 1.00 22.21 C ATOM 297 C ASP A 104 20.643 -14.846 -11.577 1.00 53.01 C ATOM 298 O ASP A 104 21.259 -15.816 -11.136 1.00 74.24 O ATOM 299 CB ASP A 104 21.633 -12.782 -10.567 1.00 44.00 C ATOM 300 CG ASP A 104 22.523 -11.572 -10.771 1.00 42.43 C ATOM 301 OD1 ASP A 104 23.665 -11.748 -11.246 1.00 73.33 O ATOM 302 OD2 ASP A 104 22.077 -10.448 -10.456 1.00 63.21 O1- ATOM 0 H ASP A 104 19.845 -12.154 -12.322 1.00 24.32 H new ATOM 0 HA ASP A 104 22.309 -13.759 -12.357 1.00 22.21 H new ATOM 0 HB2 ASP A 104 20.687 -12.464 -10.130 1.00 44.00 H new ATOM 0 HB3 ASP A 104 22.103 -13.459 -9.853 1.00 44.00 H new ATOM 307 N ALA A 105 19.337 -14.869 -11.822 1.00 63.33 N ATOM 308 CA ALA A 105 18.536 -16.064 -11.584 1.00 75.23 C ATOM 309 C ALA A 105 18.512 -16.422 -10.102 1.00 40.43 C ATOM 310 O ALA A 105 18.778 -17.563 -9.725 1.00 42.15 O ATOM 311 CB ALA A 105 19.071 -17.230 -12.401 1.00 34.51 C ATOM 0 H ALA A 105 18.811 -14.074 -12.185 1.00 63.33 H new ATOM 0 HA ALA A 105 17.513 -15.854 -11.898 1.00 75.23 H new ATOM 0 HB1 ALA A 105 18.463 -18.115 -12.213 1.00 34.51 H new ATOM 0 HB2 ALA A 105 19.030 -16.980 -13.461 1.00 34.51 H new ATOM 0 HB3 ALA A 105 20.103 -17.431 -12.115 1.00 34.51 H new ATOM 317 N GLU A 106 18.191 -15.440 -9.265 1.00 74.03 N ATOM 318 CA GLU A 106 18.134 -15.652 -7.823 1.00 75.25 C ATOM 319 C GLU A 106 17.034 -16.645 -7.463 1.00 23.20 C ATOM 320 O GLU A 106 16.184 -16.975 -8.291 1.00 54.54 O ATOM 321 CB GLU A 106 17.897 -14.326 -7.099 1.00 21.20 C ATOM 322 CG GLU A 106 19.177 -13.627 -6.672 1.00 43.42 C ATOM 323 CD GLU A 106 20.000 -14.458 -5.707 1.00 0.21 C ATOM 324 OE1 GLU A 106 19.477 -14.805 -4.628 1.00 14.12 O1- ATOM 325 OE2 GLU A 106 21.167 -14.761 -6.031 1.00 44.33 O ATOM 0 H GLU A 106 17.966 -14.490 -9.561 1.00 74.03 H new ATOM 0 HA GLU A 106 19.091 -16.065 -7.504 1.00 75.25 H new ATOM 0 HB2 GLU A 106 17.331 -13.662 -7.752 1.00 21.20 H new ATOM 0 HB3 GLU A 106 17.281 -14.508 -6.218 1.00 21.20 H new ATOM 0 HG2 GLU A 106 19.776 -13.402 -7.555 1.00 43.42 H new ATOM 0 HG3 GLU A 106 18.928 -12.674 -6.205 1.00 43.42 H new ATOM 332 N THR A 107 17.055 -17.119 -6.222 1.00 4.24 N ATOM 333 CA THR A 107 16.061 -18.074 -5.751 1.00 44.41 C ATOM 334 C THR A 107 15.008 -17.393 -4.884 1.00 60.01 C ATOM 335 O THR A 107 15.196 -16.261 -4.437 1.00 43.33 O ATOM 336 CB THR A 107 16.714 -19.213 -4.943 1.00 43.42 C ATOM 337 OG1 THR A 107 15.717 -20.152 -4.526 1.00 2.32 O ATOM 338 CG2 THR A 107 17.442 -18.664 -3.726 1.00 72.55 C ATOM 0 H THR A 107 17.751 -16.856 -5.524 1.00 4.24 H new ATOM 0 HA THR A 107 15.583 -18.492 -6.637 1.00 44.41 H new ATOM 0 HB THR A 107 17.439 -19.715 -5.584 1.00 43.42 H new ATOM 0 HG1 THR A 107 15.094 -20.317 -5.264 1.00 2.32 H new ATOM 0 HG21 THR A 107 17.895 -19.486 -3.171 1.00 72.55 H new ATOM 0 HG22 THR A 107 18.220 -17.972 -4.049 1.00 72.55 H new ATOM 0 HG23 THR A 107 16.734 -18.140 -3.084 1.00 72.55 H new ATOM 346 N VAL A 108 13.899 -18.088 -4.651 1.00 20.54 N ATOM 347 CA VAL A 108 12.817 -17.549 -3.837 1.00 41.44 C ATOM 348 C VAL A 108 12.083 -18.659 -3.094 1.00 71.21 C ATOM 349 O VAL A 108 12.397 -19.840 -3.250 1.00 42.35 O ATOM 350 CB VAL A 108 11.805 -16.765 -4.694 1.00 65.54 C ATOM 351 CG1 VAL A 108 12.422 -15.468 -5.197 1.00 22.45 C ATOM 352 CG2 VAL A 108 11.318 -17.618 -5.856 1.00 1.14 C ATOM 0 H VAL A 108 13.727 -19.025 -5.015 1.00 20.54 H new ATOM 0 HA VAL A 108 13.273 -16.871 -3.115 1.00 41.44 H new ATOM 0 HB VAL A 108 10.946 -16.514 -4.072 1.00 65.54 H new ATOM 0 HG11 VAL A 108 11.692 -14.928 -5.800 1.00 22.45 H new ATOM 0 HG12 VAL A 108 12.717 -14.852 -4.348 1.00 22.45 H new ATOM 0 HG13 VAL A 108 13.299 -15.694 -5.804 1.00 22.45 H new ATOM 0 HG21 VAL A 108 10.604 -17.049 -6.451 1.00 1.14 H new ATOM 0 HG22 VAL A 108 12.166 -17.901 -6.480 1.00 1.14 H new ATOM 0 HG23 VAL A 108 10.835 -18.516 -5.471 1.00 1.14 H new ATOM 362 N THR A 109 11.103 -18.274 -2.282 1.00 0.35 N ATOM 363 CA THR A 109 10.323 -19.237 -1.514 1.00 72.43 C ATOM 364 C THR A 109 8.900 -18.739 -1.291 1.00 62.13 C ATOM 365 O THR A 109 8.686 -17.705 -0.659 1.00 25.51 O ATOM 366 CB THR A 109 10.975 -19.524 -0.148 1.00 21.55 C ATOM 367 OG1 THR A 109 10.125 -20.372 0.632 1.00 40.31 O ATOM 368 CG2 THR A 109 11.241 -18.230 0.607 1.00 24.53 C ATOM 0 H THR A 109 10.831 -17.301 -2.139 1.00 0.35 H new ATOM 0 HA THR A 109 10.295 -20.158 -2.096 1.00 72.43 H new ATOM 0 HB THR A 109 11.927 -20.026 -0.322 1.00 21.55 H new ATOM 0 HG1 THR A 109 9.692 -21.029 0.047 1.00 40.31 H new ATOM 0 HG21 THR A 109 11.701 -18.458 1.568 1.00 24.53 H new ATOM 0 HG22 THR A 109 11.912 -17.600 0.023 1.00 24.53 H new ATOM 0 HG23 THR A 109 10.300 -17.704 0.771 1.00 24.53 H new ATOM 376 N GLY A 110 7.929 -19.483 -1.813 1.00 43.33 N ATOM 377 CA GLY A 110 6.538 -19.101 -1.659 1.00 13.05 C ATOM 378 C GLY A 110 5.657 -20.268 -1.261 1.00 3.55 C ATOM 379 O GLY A 110 6.061 -21.427 -1.371 1.00 41.25 O ATOM 0 H GLY A 110 8.081 -20.343 -2.340 1.00 43.33 H new ATOM 0 HA2 GLY A 110 6.461 -18.318 -0.905 1.00 13.05 H new ATOM 0 HA3 GLY A 110 6.175 -18.678 -2.596 1.00 13.05 H new ATOM 383 N VAL A 111 4.449 -19.965 -0.797 1.00 54.30 N ATOM 384 CA VAL A 111 3.508 -20.998 -0.381 1.00 20.01 C ATOM 385 C VAL A 111 2.395 -21.175 -1.408 1.00 45.43 C ATOM 386 O VAL A 111 1.843 -20.198 -1.913 1.00 13.55 O ATOM 387 CB VAL A 111 2.881 -20.669 0.987 1.00 12.42 C ATOM 388 CG1 VAL A 111 2.025 -19.415 0.894 1.00 14.12 C ATOM 389 CG2 VAL A 111 2.062 -21.846 1.495 1.00 40.44 C ATOM 0 H VAL A 111 4.099 -19.012 -0.700 1.00 54.30 H new ATOM 0 HA VAL A 111 4.074 -21.926 -0.299 1.00 20.01 H new ATOM 0 HB VAL A 111 3.684 -20.480 1.699 1.00 12.42 H new ATOM 0 HG11 VAL A 111 1.590 -19.198 1.870 1.00 14.12 H new ATOM 0 HG12 VAL A 111 2.643 -18.575 0.577 1.00 14.12 H new ATOM 0 HG13 VAL A 111 1.227 -19.572 0.168 1.00 14.12 H new ATOM 0 HG21 VAL A 111 1.627 -21.596 2.462 1.00 40.44 H new ATOM 0 HG22 VAL A 111 1.265 -22.068 0.785 1.00 40.44 H new ATOM 0 HG23 VAL A 111 2.706 -22.719 1.602 1.00 40.44 H new ATOM 399 N ILE A 112 2.072 -22.427 -1.713 1.00 15.31 N ATOM 400 CA ILE A 112 1.024 -22.731 -2.679 1.00 63.34 C ATOM 401 C ILE A 112 -0.283 -22.041 -2.308 1.00 32.02 C ATOM 402 O ILE A 112 -1.010 -22.499 -1.428 1.00 22.02 O ATOM 403 CB ILE A 112 0.779 -24.249 -2.785 1.00 73.40 C ATOM 404 CG1 ILE A 112 2.071 -24.969 -3.179 1.00 51.40 C ATOM 405 CG2 ILE A 112 -0.324 -24.538 -3.793 1.00 51.04 C ATOM 406 CD1 ILE A 112 2.793 -25.595 -2.008 1.00 44.52 C ATOM 0 H ILE A 112 2.521 -23.247 -1.305 1.00 15.31 H new ATOM 0 HA ILE A 112 1.367 -22.358 -3.644 1.00 63.34 H new ATOM 0 HB ILE A 112 0.460 -24.621 -1.811 1.00 73.40 H new ATOM 0 HG12 ILE A 112 1.838 -25.745 -3.908 1.00 51.40 H new ATOM 0 HG13 ILE A 112 2.738 -24.260 -3.670 1.00 51.40 H new ATOM 0 HG21 ILE A 112 -0.486 -25.614 -3.857 1.00 51.04 H new ATOM 0 HG22 ILE A 112 -1.245 -24.051 -3.474 1.00 51.04 H new ATOM 0 HG23 ILE A 112 -0.032 -24.156 -4.771 1.00 51.04 H new ATOM 0 HD11 ILE A 112 3.699 -26.088 -2.360 1.00 44.52 H new ATOM 0 HD12 ILE A 112 3.058 -24.821 -1.288 1.00 44.52 H new ATOM 0 HD13 ILE A 112 2.144 -26.328 -1.530 1.00 44.52 H new ATOM 418 N ASN A 113 -0.577 -20.937 -2.987 1.00 70.02 N ATOM 419 CA ASN A 113 -1.798 -20.183 -2.730 1.00 33.21 C ATOM 420 C ASN A 113 -3.015 -20.909 -3.296 1.00 62.31 C ATOM 421 O ASN A 113 -4.052 -21.009 -2.642 1.00 53.33 O ATOM 422 CB ASN A 113 -1.697 -18.782 -3.337 1.00 33.10 C ATOM 423 CG ASN A 113 -2.696 -17.816 -2.733 1.00 43.33 C ATOM 424 OD1 ASN A 113 -3.036 -17.913 -1.554 1.00 34.24 O ATOM 425 ND2 ASN A 113 -3.172 -16.875 -3.541 1.00 44.13 N ATOM 0 H ASN A 113 0.014 -20.545 -3.720 1.00 70.02 H new ATOM 0 HA ASN A 113 -1.919 -20.094 -1.650 1.00 33.21 H new ATOM 0 HB2 ASN A 113 -0.688 -18.397 -3.189 1.00 33.10 H new ATOM 0 HB3 ASN A 113 -1.860 -18.843 -4.413 1.00 33.10 H new ATOM 0 HD21 ASN A 113 -3.847 -16.196 -3.190 1.00 44.13 H new ATOM 0 HD22 ASN A 113 -2.862 -16.832 -4.512 1.00 44.13 H new ATOM 432 N GLY A 114 -2.880 -21.414 -4.519 1.00 13.12 N ATOM 433 CA GLY A 114 -3.975 -22.124 -5.154 1.00 74.52 C ATOM 434 C GLY A 114 -3.524 -23.410 -5.818 1.00 51.31 C ATOM 435 O GLY A 114 -2.359 -23.549 -6.192 1.00 72.15 O ATOM 0 H GLY A 114 -2.032 -21.344 -5.081 1.00 13.12 H new ATOM 0 HA2 GLY A 114 -4.737 -22.351 -4.409 1.00 74.52 H new ATOM 0 HA3 GLY A 114 -4.440 -21.478 -5.899 1.00 74.52 H new ATOM 439 N LYS A 115 -4.448 -24.353 -5.965 1.00 74.23 N ATOM 440 CA LYS A 115 -4.141 -25.635 -6.588 1.00 34.25 C ATOM 441 C LYS A 115 -5.072 -25.904 -7.765 1.00 42.21 C ATOM 442 O LYS A 115 -6.292 -25.812 -7.638 1.00 24.11 O ATOM 443 CB LYS A 115 -4.257 -26.766 -5.563 1.00 22.32 C ATOM 444 CG LYS A 115 -5.615 -26.835 -4.887 1.00 35.33 C ATOM 445 CD LYS A 115 -5.600 -27.785 -3.701 1.00 22.31 C ATOM 446 CE LYS A 115 -6.993 -27.976 -3.121 1.00 75.20 C ATOM 447 NZ LYS A 115 -6.961 -28.721 -1.832 1.00 11.23 N1+ ATOM 0 H LYS A 115 -5.417 -24.254 -5.661 1.00 74.23 H new ATOM 0 HA LYS A 115 -3.117 -25.594 -6.959 1.00 34.25 H new ATOM 0 HB2 LYS A 115 -4.058 -27.716 -6.058 1.00 22.32 H new ATOM 0 HB3 LYS A 115 -3.488 -26.636 -4.802 1.00 22.32 H new ATOM 0 HG2 LYS A 115 -5.907 -25.839 -4.553 1.00 35.33 H new ATOM 0 HG3 LYS A 115 -6.365 -27.163 -5.607 1.00 35.33 H new ATOM 0 HD2 LYS A 115 -5.199 -28.750 -4.012 1.00 22.31 H new ATOM 0 HD3 LYS A 115 -4.934 -27.396 -2.931 1.00 22.31 H new ATOM 0 HE2 LYS A 115 -7.458 -27.003 -2.966 1.00 75.20 H new ATOM 0 HE3 LYS A 115 -7.613 -28.515 -3.837 1.00 75.20 H new ATOM 0 HZ1 LYS A 115 -7.930 -28.830 -1.470 1.00 11.23 H new ATOM 0 HZ2 LYS A 115 -6.540 -29.660 -1.984 1.00 11.23 H new ATOM 0 HZ3 LYS A 115 -6.390 -28.194 -1.141 1.00 11.23 H new ATOM 461 N VAL A 116 -4.487 -26.240 -8.912 1.00 23.14 N ATOM 462 CA VAL A 116 -5.265 -26.525 -10.111 1.00 34.23 C ATOM 463 C VAL A 116 -5.117 -27.985 -10.527 1.00 0.13 C ATOM 464 O VAL A 116 -4.367 -28.744 -9.915 1.00 22.41 O ATOM 465 CB VAL A 116 -4.840 -25.623 -11.284 1.00 11.42 C ATOM 466 CG1 VAL A 116 -5.217 -24.175 -11.010 1.00 22.33 C ATOM 467 CG2 VAL A 116 -3.346 -25.753 -11.541 1.00 71.40 C ATOM 0 H VAL A 116 -3.478 -26.321 -9.035 1.00 23.14 H new ATOM 0 HA VAL A 116 -6.308 -26.323 -9.867 1.00 34.23 H new ATOM 0 HB VAL A 116 -5.370 -25.948 -12.179 1.00 11.42 H new ATOM 0 HG11 VAL A 116 -4.908 -23.553 -11.850 1.00 22.33 H new ATOM 0 HG12 VAL A 116 -6.296 -24.099 -10.879 1.00 22.33 H new ATOM 0 HG13 VAL A 116 -4.717 -23.834 -10.104 1.00 22.33 H new ATOM 0 HG21 VAL A 116 -3.063 -25.109 -12.373 1.00 71.40 H new ATOM 0 HG22 VAL A 116 -2.796 -25.456 -10.648 1.00 71.40 H new ATOM 0 HG23 VAL A 116 -3.108 -26.788 -11.786 1.00 71.40 H new ATOM 477 N LYS A 117 -5.839 -28.372 -11.574 1.00 32.33 N ATOM 478 CA LYS A 117 -5.788 -29.740 -12.075 1.00 42.33 C ATOM 479 C LYS A 117 -4.415 -30.055 -12.660 1.00 14.34 C ATOM 480 O LYS A 117 -4.124 -29.711 -13.805 1.00 60.05 O ATOM 481 CB LYS A 117 -6.869 -29.956 -13.137 1.00 61.43 C ATOM 482 CG LYS A 117 -6.829 -31.335 -13.773 1.00 62.31 C ATOM 483 CD LYS A 117 -7.791 -31.437 -14.945 1.00 13.11 C ATOM 484 CE LYS A 117 -7.727 -32.807 -15.601 1.00 34.15 C ATOM 485 NZ LYS A 117 -8.233 -33.879 -14.700 1.00 72.03 N1+ ATOM 0 H LYS A 117 -6.466 -27.757 -12.092 1.00 32.33 H new ATOM 0 HA LYS A 117 -5.969 -30.414 -11.238 1.00 42.33 H new ATOM 0 HB2 LYS A 117 -7.848 -29.802 -12.683 1.00 61.43 H new ATOM 0 HB3 LYS A 117 -6.757 -29.202 -13.916 1.00 61.43 H new ATOM 0 HG2 LYS A 117 -5.816 -31.551 -14.113 1.00 62.31 H new ATOM 0 HG3 LYS A 117 -7.082 -32.088 -13.027 1.00 62.31 H new ATOM 0 HD2 LYS A 117 -8.807 -31.244 -14.601 1.00 13.11 H new ATOM 0 HD3 LYS A 117 -7.553 -30.669 -15.681 1.00 13.11 H new ATOM 0 HE2 LYS A 117 -8.314 -32.797 -16.519 1.00 34.15 H new ATOM 0 HE3 LYS A 117 -6.697 -33.026 -15.883 1.00 34.15 H new ATOM 0 HZ1 LYS A 117 -8.316 -34.769 -15.232 1.00 72.03 H new ATOM 0 HZ2 LYS A 117 -7.571 -34.009 -13.909 1.00 72.03 H new ATOM 0 HZ3 LYS A 117 -9.166 -33.609 -14.329 1.00 72.03 H new ATOM 499 N GLY A 118 -3.576 -30.712 -11.867 1.00 2.22 N ATOM 500 CA GLY A 118 -2.244 -31.063 -12.324 1.00 23.52 C ATOM 501 C GLY A 118 -1.215 -30.003 -11.984 1.00 73.33 C ATOM 502 O GLY A 118 -0.065 -30.317 -11.682 1.00 53.41 O ATOM 0 H GLY A 118 -3.794 -31.008 -10.916 1.00 2.22 H new ATOM 0 HA2 GLY A 118 -1.947 -32.010 -11.874 1.00 23.52 H new ATOM 0 HA3 GLY A 118 -2.262 -31.214 -13.403 1.00 23.52 H new ATOM 506 N GLY A 119 -1.630 -28.740 -12.036 1.00 73.01 N ATOM 507 CA GLY A 119 -0.725 -27.649 -11.731 1.00 40.10 C ATOM 508 C GLY A 119 -0.879 -27.146 -10.309 1.00 3.33 C ATOM 509 O GLY A 119 -1.780 -27.574 -9.587 1.00 23.40 O ATOM 0 H GLY A 119 -2.577 -28.454 -12.284 1.00 73.01 H new ATOM 0 HA2 GLY A 119 0.302 -27.979 -11.887 1.00 40.10 H new ATOM 0 HA3 GLY A 119 -0.905 -26.828 -12.425 1.00 40.10 H new ATOM 513 N PHE A 120 0.001 -26.236 -9.905 1.00 21.13 N ATOM 514 CA PHE A 120 -0.041 -25.677 -8.559 1.00 73.13 C ATOM 515 C PHE A 120 0.423 -24.224 -8.559 1.00 33.45 C ATOM 516 O PHE A 120 1.562 -23.923 -8.920 1.00 42.12 O ATOM 517 CB PHE A 120 0.834 -26.503 -7.613 1.00 45.15 C ATOM 518 CG PHE A 120 0.106 -27.650 -6.971 1.00 10.53 C ATOM 519 CD1 PHE A 120 -0.884 -27.418 -6.029 1.00 40.45 C ATOM 520 CD2 PHE A 120 0.411 -28.958 -7.309 1.00 41.15 C ATOM 521 CE1 PHE A 120 -1.556 -28.470 -5.436 1.00 33.12 C ATOM 522 CE2 PHE A 120 -0.258 -30.014 -6.720 1.00 24.30 C ATOM 523 CZ PHE A 120 -1.242 -29.770 -5.781 1.00 54.21 C ATOM 0 H PHE A 120 0.752 -25.870 -10.490 1.00 21.13 H new ATOM 0 HA PHE A 120 -1.073 -25.711 -8.211 1.00 73.13 H new ATOM 0 HB2 PHE A 120 1.689 -26.890 -8.167 1.00 45.15 H new ATOM 0 HB3 PHE A 120 1.228 -25.851 -6.833 1.00 45.15 H new ATOM 0 HD1 PHE A 120 -1.133 -26.403 -5.755 1.00 40.45 H new ATOM 0 HD2 PHE A 120 1.180 -29.155 -8.041 1.00 41.15 H new ATOM 0 HE1 PHE A 120 -2.326 -28.276 -4.704 1.00 33.12 H new ATOM 0 HE2 PHE A 120 -0.012 -31.029 -6.993 1.00 24.30 H new ATOM 0 HZ PHE A 120 -1.764 -30.594 -5.318 1.00 54.21 H new ATOM 533 N THR A 121 -0.468 -23.324 -8.153 1.00 3.13 N ATOM 534 CA THR A 121 -0.151 -21.902 -8.108 1.00 4.13 C ATOM 535 C THR A 121 0.584 -21.543 -6.822 1.00 21.42 C ATOM 536 O THR A 121 0.394 -22.182 -5.787 1.00 71.30 O ATOM 537 CB THR A 121 -1.424 -21.041 -8.216 1.00 11.34 C ATOM 538 OG1 THR A 121 -2.586 -21.878 -8.202 1.00 20.12 O ATOM 539 CG2 THR A 121 -1.407 -20.209 -9.489 1.00 43.11 C ATOM 0 H THR A 121 -1.414 -23.555 -7.851 1.00 3.13 H new ATOM 0 HA THR A 121 0.494 -21.694 -8.962 1.00 4.13 H new ATOM 0 HB THR A 121 -1.453 -20.367 -7.360 1.00 11.34 H new ATOM 0 HG1 THR A 121 -3.390 -21.322 -8.269 1.00 20.12 H new ATOM 0 HG21 THR A 121 -2.316 -19.609 -9.544 1.00 43.11 H new ATOM 0 HG22 THR A 121 -0.538 -19.551 -9.482 1.00 43.11 H new ATOM 0 HG23 THR A 121 -1.355 -20.869 -10.355 1.00 43.11 H new ATOM 547 N VAL A 122 1.424 -20.516 -6.894 1.00 12.32 N ATOM 548 CA VAL A 122 2.188 -20.071 -5.734 1.00 62.52 C ATOM 549 C VAL A 122 2.269 -18.549 -5.681 1.00 11.44 C ATOM 550 O VAL A 122 2.252 -17.881 -6.715 1.00 22.11 O ATOM 551 CB VAL A 122 3.615 -20.650 -5.745 1.00 61.21 C ATOM 552 CG1 VAL A 122 4.317 -20.364 -4.427 1.00 4.33 C ATOM 553 CG2 VAL A 122 3.581 -22.144 -6.027 1.00 4.41 C ATOM 0 H VAL A 122 1.593 -19.976 -7.743 1.00 12.32 H new ATOM 0 HA VAL A 122 1.664 -20.436 -4.851 1.00 62.52 H new ATOM 0 HB VAL A 122 4.179 -20.166 -6.542 1.00 61.21 H new ATOM 0 HG11 VAL A 122 5.324 -20.781 -4.453 1.00 4.33 H new ATOM 0 HG12 VAL A 122 4.374 -19.287 -4.271 1.00 4.33 H new ATOM 0 HG13 VAL A 122 3.757 -20.819 -3.610 1.00 4.33 H new ATOM 0 HG21 VAL A 122 4.598 -22.537 -6.031 1.00 4.41 H new ATOM 0 HG22 VAL A 122 3.001 -22.647 -5.253 1.00 4.41 H new ATOM 0 HG23 VAL A 122 3.120 -22.320 -6.999 1.00 4.41 H new ATOM 563 N GLU A 123 2.358 -18.008 -4.471 1.00 1.41 N ATOM 564 CA GLU A 123 2.442 -16.564 -4.283 1.00 24.31 C ATOM 565 C GLU A 123 3.858 -16.147 -3.894 1.00 24.33 C ATOM 566 O GLU A 123 4.351 -16.505 -2.824 1.00 63.43 O ATOM 567 CB GLU A 123 1.452 -16.108 -3.210 1.00 10.44 C ATOM 568 CG GLU A 123 1.334 -14.597 -3.093 1.00 13.44 C ATOM 569 CD GLU A 123 0.872 -14.153 -1.720 1.00 44.22 C ATOM 570 OE1 GLU A 123 -0.256 -14.518 -1.326 1.00 14.32 O1- ATOM 571 OE2 GLU A 123 1.637 -13.439 -1.039 1.00 5.32 O ATOM 0 H GLU A 123 2.374 -18.547 -3.605 1.00 1.41 H new ATOM 0 HA GLU A 123 2.187 -16.086 -5.229 1.00 24.31 H new ATOM 0 HB2 GLU A 123 0.470 -16.524 -3.433 1.00 10.44 H new ATOM 0 HB3 GLU A 123 1.760 -16.516 -2.247 1.00 10.44 H new ATOM 0 HG2 GLU A 123 2.300 -14.143 -3.311 1.00 13.44 H new ATOM 0 HG3 GLU A 123 0.633 -14.232 -3.844 1.00 13.44 H new ATOM 578 N LEU A 124 4.508 -15.390 -4.772 1.00 13.23 N ATOM 579 CA LEU A 124 5.867 -14.924 -4.522 1.00 3.34 C ATOM 580 C LEU A 124 5.904 -13.406 -4.380 1.00 14.51 C ATOM 581 O LEU A 124 6.310 -12.696 -5.300 1.00 51.32 O ATOM 582 CB LEU A 124 6.795 -15.365 -5.656 1.00 74.20 C ATOM 583 CG LEU A 124 6.957 -16.874 -5.842 1.00 25.45 C ATOM 584 CD1 LEU A 124 7.680 -17.176 -7.146 1.00 35.05 C ATOM 585 CD2 LEU A 124 7.707 -17.478 -4.663 1.00 14.43 C ATOM 0 H LEU A 124 4.115 -15.086 -5.663 1.00 13.23 H new ATOM 0 HA LEU A 124 6.211 -15.366 -3.587 1.00 3.34 H new ATOM 0 HB2 LEU A 124 6.422 -14.942 -6.589 1.00 74.20 H new ATOM 0 HB3 LEU A 124 7.780 -14.933 -5.481 1.00 74.20 H new ATOM 0 HG LEU A 124 5.965 -17.324 -5.887 1.00 25.45 H new ATOM 0 HD11 LEU A 124 7.786 -18.255 -7.262 1.00 35.05 H new ATOM 0 HD12 LEU A 124 7.105 -16.776 -7.982 1.00 35.05 H new ATOM 0 HD13 LEU A 124 8.667 -16.714 -7.130 1.00 35.05 H new ATOM 0 HD21 LEU A 124 7.814 -18.553 -4.812 1.00 14.43 H new ATOM 0 HD22 LEU A 124 8.694 -17.022 -4.588 1.00 14.43 H new ATOM 0 HD23 LEU A 124 7.151 -17.292 -3.744 1.00 14.43 H new ATOM 597 N ASN A 125 5.482 -12.915 -3.220 1.00 42.42 N ATOM 598 CA ASN A 125 5.469 -11.481 -2.957 1.00 23.03 C ATOM 599 C ASN A 125 4.514 -10.761 -3.906 1.00 71.21 C ATOM 600 O ASN A 125 4.892 -9.794 -4.567 1.00 12.11 O ATOM 601 CB ASN A 125 6.878 -10.902 -3.097 1.00 41.54 C ATOM 602 CG ASN A 125 7.947 -11.865 -2.619 1.00 2.20 C ATOM 603 OD1 ASN A 125 8.134 -12.058 -1.418 1.00 61.54 O ATOM 604 ND2 ASN A 125 8.657 -12.475 -3.561 1.00 75.40 N ATOM 0 H ASN A 125 5.145 -13.489 -2.447 1.00 42.42 H new ATOM 0 HA ASN A 125 5.121 -11.328 -1.935 1.00 23.03 H new ATOM 0 HB2 ASN A 125 7.062 -10.648 -4.141 1.00 41.54 H new ATOM 0 HB3 ASN A 125 6.946 -9.975 -2.527 1.00 41.54 H new ATOM 0 HD21 ASN A 125 9.391 -13.133 -3.300 1.00 75.40 H new ATOM 0 HD22 ASN A 125 8.468 -12.285 -4.545 1.00 75.40 H new ATOM 611 N GLY A 126 3.277 -11.241 -3.969 1.00 44.14 N ATOM 612 CA GLY A 126 2.288 -10.633 -4.841 1.00 71.51 C ATOM 613 C GLY A 126 2.212 -11.311 -6.194 1.00 14.11 C ATOM 614 O GLY A 126 1.136 -11.411 -6.785 1.00 40.40 O ATOM 0 H GLY A 126 2.941 -12.040 -3.432 1.00 44.14 H new ATOM 0 HA2 GLY A 126 1.310 -10.676 -4.361 1.00 71.51 H new ATOM 0 HA3 GLY A 126 2.529 -9.579 -4.979 1.00 71.51 H new ATOM 618 N ILE A 127 3.355 -11.776 -6.686 1.00 22.22 N ATOM 619 CA ILE A 127 3.413 -12.448 -7.978 1.00 73.32 C ATOM 620 C ILE A 127 2.851 -13.863 -7.888 1.00 14.32 C ATOM 621 O ILE A 127 2.920 -14.503 -6.839 1.00 64.31 O ATOM 622 CB ILE A 127 4.854 -12.513 -8.515 1.00 24.54 C ATOM 623 CG1 ILE A 127 5.522 -11.139 -8.415 1.00 35.23 C ATOM 624 CG2 ILE A 127 4.862 -13.006 -9.954 1.00 3.54 C ATOM 625 CD1 ILE A 127 6.968 -11.136 -8.858 1.00 1.33 C ATOM 0 H ILE A 127 4.254 -11.700 -6.209 1.00 22.22 H new ATOM 0 HA ILE A 127 2.804 -11.861 -8.666 1.00 73.32 H new ATOM 0 HB ILE A 127 5.420 -13.218 -7.906 1.00 24.54 H new ATOM 0 HG12 ILE A 127 4.963 -10.427 -9.022 1.00 35.23 H new ATOM 0 HG13 ILE A 127 5.466 -10.791 -7.384 1.00 35.23 H new ATOM 0 HG21 ILE A 127 5.888 -13.046 -10.319 1.00 3.54 H new ATOM 0 HG22 ILE A 127 4.421 -14.002 -10.000 1.00 3.54 H new ATOM 0 HG23 ILE A 127 4.282 -12.324 -10.576 1.00 3.54 H new ATOM 0 HD11 ILE A 127 7.376 -10.130 -8.760 1.00 1.33 H new ATOM 0 HD12 ILE A 127 7.541 -11.823 -8.235 1.00 1.33 H new ATOM 0 HD13 ILE A 127 7.030 -11.453 -9.899 1.00 1.33 H new ATOM 637 N ARG A 128 2.299 -14.346 -8.995 1.00 34.50 N ATOM 638 CA ARG A 128 1.726 -15.687 -9.042 1.00 4.34 C ATOM 639 C ARG A 128 2.570 -16.607 -9.919 1.00 60.24 C ATOM 640 O ARG A 128 2.938 -16.250 -11.037 1.00 55.21 O ATOM 641 CB ARG A 128 0.292 -15.633 -9.571 1.00 35.11 C ATOM 642 CG ARG A 128 0.181 -15.059 -10.975 1.00 21.23 C ATOM 643 CD ARG A 128 -1.261 -14.735 -11.331 1.00 73.51 C ATOM 644 NE ARG A 128 -1.674 -13.434 -10.813 1.00 62.14 N ATOM 645 CZ ARG A 128 -2.882 -12.916 -11.004 1.00 54.34 C ATOM 646 NH1 ARG A 128 -3.792 -13.587 -11.699 1.00 63.40 N1+ ATOM 647 NH2 ARG A 128 -3.183 -11.727 -10.500 1.00 13.12 N ATOM 0 H ARG A 128 2.236 -13.829 -9.872 1.00 34.50 H new ATOM 0 HA ARG A 128 1.717 -16.088 -8.028 1.00 4.34 H new ATOM 0 HB2 ARG A 128 -0.126 -16.639 -9.565 1.00 35.11 H new ATOM 0 HB3 ARG A 128 -0.314 -15.032 -8.893 1.00 35.11 H new ATOM 0 HG2 ARG A 128 0.787 -14.156 -11.049 1.00 21.23 H new ATOM 0 HG3 ARG A 128 0.583 -15.773 -11.694 1.00 21.23 H new ATOM 0 HD2 ARG A 128 -1.378 -14.747 -12.415 1.00 73.51 H new ATOM 0 HD3 ARG A 128 -1.916 -15.509 -10.931 1.00 73.51 H new ATOM 0 HE ARG A 128 -0.997 -12.893 -10.275 1.00 62.14 H new ATOM 0 HH11 ARG A 128 -3.564 -14.502 -12.088 1.00 63.40 H new ATOM 0 HH12 ARG A 128 -4.719 -13.188 -11.845 1.00 63.40 H new ATOM 0 HH21 ARG A 128 -2.486 -11.209 -9.965 1.00 13.12 H new ATOM 0 HH22 ARG A 128 -4.111 -11.331 -10.648 1.00 13.12 H new ATOM 661 N ALA A 129 2.871 -17.794 -9.402 1.00 23.11 N ATOM 662 CA ALA A 129 3.670 -18.767 -10.139 1.00 52.14 C ATOM 663 C ALA A 129 2.822 -19.959 -10.571 1.00 51.23 C ATOM 664 O ALA A 129 1.667 -20.091 -10.165 1.00 40.33 O ATOM 665 CB ALA A 129 4.845 -19.232 -9.293 1.00 63.52 C ATOM 0 H ALA A 129 2.574 -18.105 -8.477 1.00 23.11 H new ATOM 0 HA ALA A 129 4.052 -18.282 -11.037 1.00 52.14 H new ATOM 0 HB1 ALA A 129 5.433 -19.958 -9.855 1.00 63.52 H new ATOM 0 HB2 ALA A 129 5.471 -18.377 -9.038 1.00 63.52 H new ATOM 0 HB3 ALA A 129 4.474 -19.695 -8.379 1.00 63.52 H new ATOM 671 N PHE A 130 3.401 -20.823 -11.396 1.00 51.13 N ATOM 672 CA PHE A 130 2.699 -22.003 -11.886 1.00 11.43 C ATOM 673 C PHE A 130 3.618 -23.221 -11.888 1.00 70.34 C ATOM 674 O PHE A 130 4.674 -23.214 -12.519 1.00 70.32 O ATOM 675 CB PHE A 130 2.158 -21.754 -13.295 1.00 33.32 C ATOM 676 CG PHE A 130 0.944 -22.574 -13.625 1.00 74.44 C ATOM 677 CD1 PHE A 130 1.072 -23.891 -14.036 1.00 63.42 C ATOM 678 CD2 PHE A 130 -0.325 -22.027 -13.526 1.00 15.20 C ATOM 679 CE1 PHE A 130 -0.044 -24.647 -14.341 1.00 15.24 C ATOM 680 CE2 PHE A 130 -1.445 -22.777 -13.829 1.00 51.42 C ATOM 681 CZ PHE A 130 -1.304 -24.090 -14.236 1.00 35.35 C ATOM 0 H PHE A 130 4.356 -20.728 -11.740 1.00 51.13 H new ATOM 0 HA PHE A 130 1.863 -22.202 -11.215 1.00 11.43 H new ATOM 0 HB2 PHE A 130 1.912 -20.697 -13.400 1.00 33.32 H new ATOM 0 HB3 PHE A 130 2.942 -21.972 -14.020 1.00 33.32 H new ATOM 0 HD1 PHE A 130 2.055 -24.332 -14.119 1.00 63.42 H new ATOM 0 HD2 PHE A 130 -0.440 -21.001 -13.208 1.00 15.20 H new ATOM 0 HE1 PHE A 130 0.069 -25.672 -14.661 1.00 15.24 H new ATOM 0 HE2 PHE A 130 -2.428 -22.338 -13.748 1.00 51.42 H new ATOM 0 HZ PHE A 130 -2.177 -24.680 -14.472 1.00 35.35 H new ATOM 691 N LEU A 131 3.206 -24.266 -11.178 1.00 42.32 N ATOM 692 CA LEU A 131 3.992 -25.493 -11.098 1.00 71.54 C ATOM 693 C LEU A 131 3.522 -26.509 -12.132 1.00 33.11 C ATOM 694 O LEU A 131 2.332 -26.804 -12.254 1.00 13.54 O ATOM 695 CB LEU A 131 3.893 -26.094 -9.694 1.00 3.45 C ATOM 696 CG LEU A 131 4.937 -25.618 -8.685 1.00 1.01 C ATOM 697 CD1 LEU A 131 4.827 -24.116 -8.470 1.00 72.14 C ATOM 698 CD2 LEU A 131 4.782 -26.359 -7.365 1.00 1.05 C ATOM 0 H LEU A 131 2.333 -24.288 -10.650 1.00 42.32 H new ATOM 0 HA LEU A 131 5.032 -25.244 -11.308 1.00 71.54 H new ATOM 0 HB2 LEU A 131 2.903 -25.872 -9.295 1.00 3.45 H new ATOM 0 HB3 LEU A 131 3.967 -27.178 -9.779 1.00 3.45 H new ATOM 0 HG LEU A 131 5.926 -25.836 -9.087 1.00 1.01 H new ATOM 0 HD11 LEU A 131 5.578 -23.796 -7.748 1.00 72.14 H new ATOM 0 HD12 LEU A 131 4.990 -23.600 -9.416 1.00 72.14 H new ATOM 0 HD13 LEU A 131 3.834 -23.874 -8.091 1.00 72.14 H new ATOM 0 HD21 LEU A 131 5.534 -26.006 -6.659 1.00 1.05 H new ATOM 0 HD22 LEU A 131 3.788 -26.174 -6.958 1.00 1.05 H new ATOM 0 HD23 LEU A 131 4.913 -27.428 -7.531 1.00 1.05 H new ATOM 710 N PRO A 132 4.476 -27.061 -12.897 1.00 44.13 N ATOM 711 CA PRO A 132 4.184 -28.056 -13.933 1.00 23.41 C ATOM 712 C PRO A 132 3.745 -29.393 -13.347 1.00 0.41 C ATOM 713 O PRO A 132 4.373 -29.915 -12.428 1.00 50.35 O ATOM 714 CB PRO A 132 5.520 -28.207 -14.666 1.00 2.04 C ATOM 715 CG PRO A 132 6.549 -27.819 -13.661 1.00 70.40 C ATOM 716 CD PRO A 132 5.915 -26.756 -12.807 1.00 11.23 C ATOM 0 HA PRO A 132 3.361 -27.744 -14.576 1.00 23.41 H new ATOM 0 HB2 PRO A 132 5.669 -29.230 -15.011 1.00 2.04 H new ATOM 0 HB3 PRO A 132 5.564 -27.565 -15.546 1.00 2.04 H new ATOM 0 HG2 PRO A 132 6.848 -28.676 -13.058 1.00 70.40 H new ATOM 0 HG3 PRO A 132 7.448 -27.443 -14.149 1.00 70.40 H new ATOM 0 HD2 PRO A 132 6.272 -26.801 -11.778 1.00 11.23 H new ATOM 0 HD3 PRO A 132 6.138 -25.756 -13.178 1.00 11.23 H new ATOM 724 N GLY A 133 2.659 -29.941 -13.885 1.00 51.13 N ATOM 725 CA GLY A 133 2.154 -31.214 -13.401 1.00 72.20 C ATOM 726 C GLY A 133 3.003 -32.384 -13.856 1.00 24.31 C ATOM 727 O GLY A 133 2.836 -33.504 -13.373 1.00 62.54 O ATOM 0 H GLY A 133 2.121 -29.527 -14.646 1.00 51.13 H new ATOM 0 HA2 GLY A 133 2.118 -31.197 -12.312 1.00 72.20 H new ATOM 0 HA3 GLY A 133 1.131 -31.353 -13.752 1.00 72.20 H new ATOM 731 N SER A 134 3.914 -32.126 -14.788 1.00 13.24 N ATOM 732 CA SER A 134 4.788 -33.169 -15.312 1.00 0.03 C ATOM 733 C SER A 134 5.455 -33.941 -14.177 1.00 14.21 C ATOM 734 O SER A 134 5.717 -35.139 -14.294 1.00 33.45 O ATOM 735 CB SER A 134 5.855 -32.560 -16.225 1.00 71.14 C ATOM 736 OG SER A 134 5.288 -32.114 -17.444 1.00 54.54 O ATOM 0 H SER A 134 4.066 -31.204 -15.196 1.00 13.24 H new ATOM 0 HA SER A 134 4.177 -33.862 -15.890 1.00 0.03 H new ATOM 0 HB2 SER A 134 6.338 -31.725 -15.718 1.00 71.14 H new ATOM 0 HB3 SER A 134 6.629 -33.300 -16.429 1.00 71.14 H new ATOM 0 HG SER A 134 5.989 -31.728 -18.009 1.00 54.54 H new ATOM 742 N LEU A 135 5.727 -33.246 -13.078 1.00 22.34 N ATOM 743 CA LEU A 135 6.362 -33.864 -11.919 1.00 71.02 C ATOM 744 C LEU A 135 5.504 -33.690 -10.670 1.00 43.52 C ATOM 745 O LEU A 135 6.021 -33.465 -9.576 1.00 62.30 O ATOM 746 CB LEU A 135 7.748 -33.257 -11.689 1.00 1.33 C ATOM 747 CG LEU A 135 8.861 -33.759 -12.609 1.00 35.31 C ATOM 748 CD1 LEU A 135 10.175 -33.066 -12.284 1.00 35.24 C ATOM 749 CD2 LEU A 135 9.009 -35.269 -12.494 1.00 24.21 C ATOM 0 H LEU A 135 5.518 -32.254 -12.965 1.00 22.34 H new ATOM 0 HA LEU A 135 6.467 -34.930 -12.118 1.00 71.02 H new ATOM 0 HB2 LEU A 135 7.672 -32.175 -11.800 1.00 1.33 H new ATOM 0 HB3 LEU A 135 8.041 -33.451 -10.657 1.00 1.33 H new ATOM 0 HG LEU A 135 8.592 -33.519 -13.637 1.00 35.31 H new ATOM 0 HD11 LEU A 135 10.956 -33.436 -12.949 1.00 35.24 H new ATOM 0 HD12 LEU A 135 10.062 -31.990 -12.420 1.00 35.24 H new ATOM 0 HD13 LEU A 135 10.450 -33.274 -11.250 1.00 35.24 H new ATOM 0 HD21 LEU A 135 9.806 -35.608 -13.156 1.00 24.21 H new ATOM 0 HD22 LEU A 135 9.255 -35.533 -11.465 1.00 24.21 H new ATOM 0 HD23 LEU A 135 8.073 -35.749 -12.778 1.00 24.21 H new ATOM 761 N VAL A 136 4.191 -33.800 -10.841 1.00 10.15 N ATOM 762 CA VAL A 136 3.261 -33.658 -9.727 1.00 65.54 C ATOM 763 C VAL A 136 2.391 -34.901 -9.576 1.00 40.25 C ATOM 764 O VAL A 136 2.041 -35.295 -8.463 1.00 34.33 O ATOM 765 CB VAL A 136 2.352 -32.428 -9.906 1.00 44.33 C ATOM 766 CG1 VAL A 136 1.315 -32.363 -8.796 1.00 72.44 C ATOM 767 CG2 VAL A 136 3.183 -31.154 -9.946 1.00 24.52 C ATOM 0 H VAL A 136 3.747 -33.987 -11.740 1.00 10.15 H new ATOM 0 HA VAL A 136 3.863 -33.527 -8.828 1.00 65.54 H new ATOM 0 HB VAL A 136 1.826 -32.522 -10.856 1.00 44.33 H new ATOM 0 HG11 VAL A 136 0.682 -31.487 -8.940 1.00 72.44 H new ATOM 0 HG12 VAL A 136 0.700 -33.263 -8.819 1.00 72.44 H new ATOM 0 HG13 VAL A 136 1.818 -32.293 -7.832 1.00 72.44 H new ATOM 0 HG21 VAL A 136 2.525 -30.294 -10.073 1.00 24.52 H new ATOM 0 HG22 VAL A 136 3.738 -31.052 -9.013 1.00 24.52 H new ATOM 0 HG23 VAL A 136 3.883 -31.202 -10.781 1.00 24.52 H new ATOM 777 N ASP A 137 2.046 -35.515 -10.703 1.00 63.00 N ATOM 778 CA ASP A 137 1.217 -36.715 -10.696 1.00 72.00 C ATOM 779 C ASP A 137 2.074 -37.968 -10.840 1.00 1.41 C ATOM 780 O ASP A 137 2.694 -38.194 -11.880 1.00 33.31 O ATOM 781 CB ASP A 137 0.187 -36.654 -11.826 1.00 42.44 C ATOM 782 CG ASP A 137 0.832 -36.562 -13.194 1.00 44.32 C ATOM 783 OD1 ASP A 137 1.110 -35.430 -13.643 1.00 53.44 O1- ATOM 784 OD2 ASP A 137 1.058 -37.620 -13.817 1.00 15.05 O ATOM 0 H ASP A 137 2.327 -35.202 -11.632 1.00 63.00 H new ATOM 0 HA ASP A 137 0.695 -36.762 -9.740 1.00 72.00 H new ATOM 0 HB2 ASP A 137 -0.446 -37.541 -11.785 1.00 42.44 H new ATOM 0 HB3 ASP A 137 -0.462 -35.792 -11.675 1.00 42.44 H new ATOM 789 N VAL A 138 2.108 -38.780 -9.788 1.00 53.41 N ATOM 790 CA VAL A 138 2.889 -40.010 -9.796 1.00 15.53 C ATOM 791 C VAL A 138 2.182 -41.116 -9.022 1.00 1.43 C ATOM 792 O VAL A 138 2.097 -41.073 -7.795 1.00 34.11 O ATOM 793 CB VAL A 138 4.288 -39.791 -9.191 1.00 13.01 C ATOM 794 CG1 VAL A 138 5.105 -41.073 -9.253 1.00 11.43 C ATOM 795 CG2 VAL A 138 5.007 -38.657 -9.907 1.00 50.50 C ATOM 0 H VAL A 138 1.603 -38.607 -8.919 1.00 53.41 H new ATOM 0 HA VAL A 138 2.994 -40.310 -10.839 1.00 15.53 H new ATOM 0 HB VAL A 138 4.171 -39.513 -8.143 1.00 13.01 H new ATOM 0 HG11 VAL A 138 6.090 -40.898 -8.821 1.00 11.43 H new ATOM 0 HG12 VAL A 138 4.596 -41.856 -8.691 1.00 11.43 H new ATOM 0 HG13 VAL A 138 5.215 -41.385 -10.292 1.00 11.43 H new ATOM 0 HG21 VAL A 138 5.994 -38.516 -9.466 1.00 50.50 H new ATOM 0 HG22 VAL A 138 5.113 -38.903 -10.964 1.00 50.50 H new ATOM 0 HG23 VAL A 138 4.430 -37.738 -9.805 1.00 50.50 H new ATOM 805 N ARG A 139 1.674 -42.108 -9.748 1.00 35.25 N ATOM 806 CA ARG A 139 0.972 -43.226 -9.130 1.00 31.31 C ATOM 807 C ARG A 139 -0.294 -42.750 -8.426 1.00 33.22 C ATOM 808 O ARG A 139 -0.455 -41.570 -8.114 1.00 64.02 O ATOM 809 CB ARG A 139 1.885 -43.941 -8.132 1.00 30.13 C ATOM 810 CG ARG A 139 2.393 -45.286 -8.627 1.00 20.12 C ATOM 811 CD ARG A 139 3.896 -45.419 -8.434 1.00 14.14 C ATOM 812 NE ARG A 139 4.265 -46.728 -7.901 1.00 54.24 N ATOM 813 CZ ARG A 139 3.965 -47.132 -6.672 1.00 72.02 C ATOM 814 NH1 ARG A 139 3.294 -46.334 -5.853 1.00 5.33 N1+ ATOM 815 NH2 ARG A 139 4.335 -48.338 -6.259 1.00 4.43 N ATOM 0 H ARG A 139 1.736 -42.159 -10.765 1.00 35.25 H new ATOM 0 HA ARG A 139 0.689 -43.924 -9.918 1.00 31.31 H new ATOM 0 HB2 ARG A 139 2.738 -43.300 -7.909 1.00 30.13 H new ATOM 0 HB3 ARG A 139 1.343 -44.088 -7.198 1.00 30.13 H new ATOM 0 HG2 ARG A 139 1.884 -46.088 -8.092 1.00 20.12 H new ATOM 0 HG3 ARG A 139 2.149 -45.402 -9.683 1.00 20.12 H new ATOM 0 HD2 ARG A 139 4.399 -45.261 -9.388 1.00 14.14 H new ATOM 0 HD3 ARG A 139 4.245 -44.640 -7.756 1.00 14.14 H new ATOM 0 HE ARG A 139 4.781 -47.367 -8.506 1.00 54.24 H new ATOM 0 HH11 ARG A 139 3.007 -45.407 -6.166 1.00 5.33 H new ATOM 0 HH12 ARG A 139 3.065 -46.647 -4.910 1.00 5.33 H new ATOM 0 HH21 ARG A 139 4.850 -48.956 -6.886 1.00 4.43 H new ATOM 0 HH22 ARG A 139 4.104 -48.647 -5.315 1.00 4.43 H new ATOM 829 N PRO A 140 -1.218 -43.689 -8.167 1.00 72.14 N ATOM 830 CA PRO A 140 -2.486 -43.389 -7.497 1.00 14.50 C ATOM 831 C PRO A 140 -2.295 -43.034 -6.026 1.00 3.15 C ATOM 832 O PRO A 140 -1.638 -43.762 -5.282 1.00 52.42 O ATOM 833 CB PRO A 140 -3.276 -44.693 -7.635 1.00 25.24 C ATOM 834 CG PRO A 140 -2.239 -45.752 -7.774 1.00 34.04 C ATOM 835 CD PRO A 140 -1.093 -45.115 -8.511 1.00 45.02 C ATOM 0 HA PRO A 140 -2.984 -42.524 -7.935 1.00 14.50 H new ATOM 0 HB2 PRO A 140 -3.906 -44.868 -6.763 1.00 25.24 H new ATOM 0 HB3 PRO A 140 -3.934 -44.667 -8.504 1.00 25.24 H new ATOM 0 HG2 PRO A 140 -1.920 -46.117 -6.798 1.00 34.04 H new ATOM 0 HG3 PRO A 140 -2.628 -46.609 -8.323 1.00 34.04 H new ATOM 0 HD2 PRO A 140 -0.134 -45.523 -8.192 1.00 45.02 H new ATOM 0 HD3 PRO A 140 -1.167 -45.277 -9.586 1.00 45.02 H new ATOM 843 N VAL A 141 -2.874 -41.912 -5.614 1.00 14.24 N ATOM 844 CA VAL A 141 -2.768 -41.461 -4.231 1.00 40.14 C ATOM 845 C VAL A 141 -4.012 -40.688 -3.808 1.00 51.04 C ATOM 846 O VAL A 141 -4.658 -40.035 -4.629 1.00 50.42 O ATOM 847 CB VAL A 141 -1.528 -40.571 -4.023 1.00 61.41 C ATOM 848 CG1 VAL A 141 -0.259 -41.410 -4.043 1.00 4.11 C ATOM 849 CG2 VAL A 141 -1.473 -39.480 -5.082 1.00 2.25 C ATOM 0 H VAL A 141 -3.421 -41.298 -6.217 1.00 14.24 H new ATOM 0 HA VAL A 141 -2.672 -42.354 -3.614 1.00 40.14 H new ATOM 0 HB VAL A 141 -1.604 -40.094 -3.046 1.00 61.41 H new ATOM 0 HG11 VAL A 141 0.606 -40.764 -3.895 1.00 4.11 H new ATOM 0 HG12 VAL A 141 -0.300 -42.151 -3.245 1.00 4.11 H new ATOM 0 HG13 VAL A 141 -0.173 -41.917 -5.004 1.00 4.11 H new ATOM 0 HG21 VAL A 141 -0.591 -38.860 -4.920 1.00 2.25 H new ATOM 0 HG22 VAL A 141 -1.420 -39.935 -6.071 1.00 2.25 H new ATOM 0 HG23 VAL A 141 -2.368 -38.862 -5.014 1.00 2.25 H new ATOM 859 N ARG A 142 -4.341 -40.765 -2.523 1.00 71.04 N ATOM 860 CA ARG A 142 -5.509 -40.072 -1.991 1.00 53.24 C ATOM 861 C ARG A 142 -5.114 -39.140 -0.849 1.00 4.13 C ATOM 862 O ARG A 142 -5.849 -38.993 0.128 1.00 5.33 O ATOM 863 CB ARG A 142 -6.549 -41.081 -1.503 1.00 34.10 C ATOM 864 CG ARG A 142 -6.003 -42.081 -0.496 1.00 34.45 C ATOM 865 CD ARG A 142 -7.122 -42.782 0.257 1.00 41.42 C ATOM 866 NE ARG A 142 -6.624 -43.525 1.412 1.00 32.52 N ATOM 867 CZ ARG A 142 -6.317 -42.958 2.573 1.00 43.31 C ATOM 868 NH1 ARG A 142 -6.456 -41.648 2.733 1.00 73.12 N1+ ATOM 869 NH2 ARG A 142 -5.869 -43.700 3.578 1.00 14.02 N ATOM 0 H ARG A 142 -3.816 -41.300 -1.831 1.00 71.04 H new ATOM 0 HA ARG A 142 -5.942 -39.474 -2.793 1.00 53.24 H new ATOM 0 HB2 ARG A 142 -7.382 -40.542 -1.052 1.00 34.10 H new ATOM 0 HB3 ARG A 142 -6.947 -41.623 -2.361 1.00 34.10 H new ATOM 0 HG2 ARG A 142 -5.391 -42.821 -1.012 1.00 34.45 H new ATOM 0 HG3 ARG A 142 -5.353 -41.567 0.212 1.00 34.45 H new ATOM 0 HD2 ARG A 142 -7.853 -42.045 0.588 1.00 41.42 H new ATOM 0 HD3 ARG A 142 -7.640 -43.464 -0.417 1.00 41.42 H new ATOM 0 HE ARG A 142 -6.506 -44.534 1.322 1.00 32.52 H new ATOM 0 HH11 ARG A 142 -6.799 -41.074 1.963 1.00 73.12 H new ATOM 0 HH12 ARG A 142 -6.219 -41.215 3.626 1.00 73.12 H new ATOM 0 HH21 ARG A 142 -5.760 -44.707 3.459 1.00 14.02 H new ATOM 0 HH22 ARG A 142 -5.634 -43.263 4.469 1.00 14.02 H new ATOM 883 N ASP A 143 -3.951 -38.514 -0.979 1.00 41.32 N ATOM 884 CA ASP A 143 -3.458 -37.595 0.041 1.00 33.40 C ATOM 885 C ASP A 143 -3.197 -36.214 -0.552 1.00 60.23 C ATOM 886 O ASP A 143 -2.207 -36.003 -1.252 1.00 42.31 O ATOM 887 CB ASP A 143 -2.178 -38.142 0.674 1.00 30.13 C ATOM 888 CG ASP A 143 -2.375 -39.515 1.285 1.00 23.42 C ATOM 889 OD1 ASP A 143 -2.796 -39.588 2.459 1.00 1.43 O1- ATOM 890 OD2 ASP A 143 -2.107 -40.518 0.589 1.00 65.31 O ATOM 0 H ASP A 143 -3.331 -38.626 -1.781 1.00 41.32 H new ATOM 0 HA ASP A 143 -4.224 -37.501 0.811 1.00 33.40 H new ATOM 0 HB2 ASP A 143 -1.395 -38.193 -0.083 1.00 30.13 H new ATOM 0 HB3 ASP A 143 -1.833 -37.451 1.443 1.00 30.13 H new ATOM 895 N THR A 144 -4.094 -35.274 -0.267 1.00 33.51 N ATOM 896 CA THR A 144 -3.963 -33.914 -0.772 1.00 12.22 C ATOM 897 C THR A 144 -4.032 -32.897 0.361 1.00 32.31 C ATOM 898 O THR A 144 -4.399 -31.740 0.148 1.00 31.31 O ATOM 899 CB THR A 144 -5.057 -33.591 -1.806 1.00 3.12 C ATOM 900 OG1 THR A 144 -6.350 -33.852 -1.248 1.00 2.12 O ATOM 901 CG2 THR A 144 -4.869 -34.415 -3.071 1.00 34.45 C ATOM 0 H THR A 144 -4.919 -35.431 0.311 1.00 33.51 H new ATOM 0 HA THR A 144 -2.988 -33.849 -1.255 1.00 12.22 H new ATOM 0 HB THR A 144 -4.979 -32.535 -2.066 1.00 3.12 H new ATOM 0 HG1 THR A 144 -7.041 -33.643 -1.911 1.00 2.12 H new ATOM 0 HG21 THR A 144 -5.654 -34.169 -3.786 1.00 34.45 H new ATOM 0 HG22 THR A 144 -3.896 -34.192 -3.509 1.00 34.45 H new ATOM 0 HG23 THR A 144 -4.922 -35.476 -2.825 1.00 34.45 H new ATOM 909 N LEU A 145 -3.678 -33.333 1.564 1.00 25.21 N ATOM 910 CA LEU A 145 -3.700 -32.459 2.732 1.00 41.45 C ATOM 911 C LEU A 145 -2.392 -31.685 2.858 1.00 44.04 C ATOM 912 O LEU A 145 -2.340 -30.631 3.492 1.00 41.05 O ATOM 913 CB LEU A 145 -3.946 -33.278 4.001 1.00 72.14 C ATOM 914 CG LEU A 145 -5.402 -33.640 4.294 1.00 12.03 C ATOM 915 CD1 LEU A 145 -6.245 -32.383 4.448 1.00 10.12 C ATOM 916 CD2 LEU A 145 -5.963 -34.529 3.194 1.00 72.53 C ATOM 0 H LEU A 145 -3.372 -34.287 1.757 1.00 25.21 H new ATOM 0 HA LEU A 145 -4.513 -31.744 2.605 1.00 41.45 H new ATOM 0 HB2 LEU A 145 -3.370 -34.201 3.931 1.00 72.14 H new ATOM 0 HB3 LEU A 145 -3.553 -32.720 4.851 1.00 72.14 H new ATOM 0 HG LEU A 145 -5.436 -34.193 5.233 1.00 12.03 H new ATOM 0 HD11 LEU A 145 -7.278 -32.661 4.656 1.00 10.12 H new ATOM 0 HD12 LEU A 145 -5.857 -31.784 5.272 1.00 10.12 H new ATOM 0 HD13 LEU A 145 -6.204 -31.802 3.526 1.00 10.12 H new ATOM 0 HD21 LEU A 145 -7.000 -34.776 3.420 1.00 72.53 H new ATOM 0 HD22 LEU A 145 -5.915 -34.003 2.241 1.00 72.53 H new ATOM 0 HD23 LEU A 145 -5.376 -35.446 3.132 1.00 72.53 H new ATOM 928 N HIS A 146 -1.336 -32.215 2.247 1.00 33.21 N ATOM 929 CA HIS A 146 -0.027 -31.572 2.288 1.00 1.43 C ATOM 930 C HIS A 146 0.144 -30.614 1.114 1.00 63.11 C ATOM 931 O HIS A 146 0.978 -29.708 1.155 1.00 22.21 O ATOM 932 CB HIS A 146 1.082 -32.624 2.270 1.00 72.35 C ATOM 933 CG HIS A 146 1.181 -33.366 0.973 1.00 0.24 C ATOM 934 ND1 HIS A 146 0.286 -34.345 0.596 1.00 1.44 N ATOM 935 CD2 HIS A 146 2.077 -33.269 -0.037 1.00 32.41 C ATOM 936 CE1 HIS A 146 0.627 -34.818 -0.590 1.00 40.02 C ATOM 937 NE2 HIS A 146 1.711 -34.180 -0.995 1.00 53.34 N ATOM 0 H HIS A 146 -1.361 -33.087 1.718 1.00 33.21 H new ATOM 0 HA HIS A 146 0.041 -31.000 3.213 1.00 1.43 H new ATOM 0 HB2 HIS A 146 2.036 -32.138 2.475 1.00 72.35 H new ATOM 0 HB3 HIS A 146 0.908 -33.338 3.075 1.00 72.35 H new ATOM 0 HD2 HIS A 146 2.923 -32.599 -0.080 1.00 32.41 H new ATOM 0 HE1 HIS A 146 0.109 -35.593 -1.135 1.00 40.02 H new ATOM 0 HE2 HIS A 146 2.197 -34.339 -1.877 1.00 53.34 H new ATOM 945 N LEU A 147 -0.648 -30.819 0.068 1.00 3.03 N ATOM 946 CA LEU A 147 -0.583 -29.975 -1.119 1.00 14.44 C ATOM 947 C LEU A 147 -1.494 -28.760 -0.974 1.00 54.12 C ATOM 948 O LEU A 147 -2.303 -28.470 -1.856 1.00 62.14 O ATOM 949 CB LEU A 147 -0.977 -30.776 -2.362 1.00 15.31 C ATOM 950 CG LEU A 147 -0.098 -31.984 -2.688 1.00 63.33 C ATOM 951 CD1 LEU A 147 -0.674 -32.763 -3.861 1.00 5.30 C ATOM 952 CD2 LEU A 147 1.328 -31.542 -2.986 1.00 24.23 C ATOM 0 H LEU A 147 -1.344 -31.563 0.018 1.00 3.03 H new ATOM 0 HA LEU A 147 0.444 -29.626 -1.230 1.00 14.44 H new ATOM 0 HB2 LEU A 147 -2.003 -31.122 -2.237 1.00 15.31 H new ATOM 0 HB3 LEU A 147 -0.969 -30.104 -3.220 1.00 15.31 H new ATOM 0 HG LEU A 147 -0.079 -32.640 -1.818 1.00 63.33 H new ATOM 0 HD11 LEU A 147 -0.035 -33.619 -4.078 1.00 5.30 H new ATOM 0 HD12 LEU A 147 -1.675 -33.112 -3.609 1.00 5.30 H new ATOM 0 HD13 LEU A 147 -0.725 -32.117 -4.737 1.00 5.30 H new ATOM 0 HD21 LEU A 147 1.939 -32.415 -3.216 1.00 24.23 H new ATOM 0 HD22 LEU A 147 1.328 -30.864 -3.840 1.00 24.23 H new ATOM 0 HD23 LEU A 147 1.739 -31.030 -2.116 1.00 24.23 H new ATOM 964 N GLU A 148 -1.357 -28.053 0.144 1.00 71.13 N ATOM 965 CA GLU A 148 -2.167 -26.870 0.403 1.00 1.45 C ATOM 966 C GLU A 148 -1.580 -26.049 1.548 1.00 64.53 C ATOM 967 O GLU A 148 -1.381 -26.556 2.651 1.00 52.44 O ATOM 968 CB GLU A 148 -3.606 -27.271 0.733 1.00 74.44 C ATOM 969 CG GLU A 148 -3.705 -28.429 1.712 1.00 61.21 C ATOM 970 CD GLU A 148 -5.130 -28.706 2.147 1.00 71.04 C ATOM 971 OE1 GLU A 148 -5.674 -27.912 2.942 1.00 61.21 O1- ATOM 972 OE2 GLU A 148 -5.703 -29.717 1.691 1.00 15.42 O ATOM 0 H GLU A 148 -0.693 -28.280 0.884 1.00 71.13 H new ATOM 0 HA GLU A 148 -2.167 -26.257 -0.498 1.00 1.45 H new ATOM 0 HB2 GLU A 148 -4.128 -26.409 1.148 1.00 74.44 H new ATOM 0 HB3 GLU A 148 -4.120 -27.541 -0.190 1.00 74.44 H new ATOM 0 HG2 GLU A 148 -3.289 -29.325 1.252 1.00 61.21 H new ATOM 0 HG3 GLU A 148 -3.097 -28.210 2.590 1.00 61.21 H new ATOM 979 N GLY A 149 -1.307 -24.776 1.277 1.00 54.43 N ATOM 980 CA GLY A 149 -0.745 -23.906 2.294 1.00 25.32 C ATOM 981 C GLY A 149 0.629 -24.357 2.748 1.00 34.35 C ATOM 982 O GLY A 149 0.999 -24.170 3.908 1.00 65.23 O ATOM 0 H GLY A 149 -1.465 -24.332 0.372 1.00 54.43 H new ATOM 0 HA2 GLY A 149 -0.680 -22.890 1.903 1.00 25.32 H new ATOM 0 HA3 GLY A 149 -1.416 -23.875 3.152 1.00 25.32 H new ATOM 986 N LYS A 150 1.388 -24.953 1.834 1.00 70.04 N ATOM 987 CA LYS A 150 2.728 -25.432 2.147 1.00 31.31 C ATOM 988 C LYS A 150 3.787 -24.469 1.621 1.00 54.12 C ATOM 989 O LYS A 150 3.763 -24.085 0.453 1.00 22.52 O ATOM 990 CB LYS A 150 2.947 -26.824 1.548 1.00 50.15 C ATOM 991 CG LYS A 150 4.384 -27.306 1.640 1.00 10.22 C ATOM 992 CD LYS A 150 5.113 -27.142 0.316 1.00 65.53 C ATOM 993 CE LYS A 150 5.241 -28.468 -0.418 1.00 15.14 C ATOM 994 NZ LYS A 150 6.107 -29.428 0.320 1.00 42.30 N1+ ATOM 0 H LYS A 150 1.097 -25.116 0.870 1.00 70.04 H new ATOM 0 HA LYS A 150 2.822 -25.490 3.231 1.00 31.31 H new ATOM 0 HB2 LYS A 150 2.300 -27.537 2.060 1.00 50.15 H new ATOM 0 HB3 LYS A 150 2.643 -26.812 0.501 1.00 50.15 H new ATOM 0 HG2 LYS A 150 4.907 -26.747 2.416 1.00 10.22 H new ATOM 0 HG3 LYS A 150 4.399 -28.355 1.937 1.00 10.22 H new ATOM 0 HD2 LYS A 150 4.577 -26.429 -0.310 1.00 65.53 H new ATOM 0 HD3 LYS A 150 6.105 -26.727 0.495 1.00 65.53 H new ATOM 0 HE2 LYS A 150 4.251 -28.904 -0.556 1.00 15.14 H new ATOM 0 HE3 LYS A 150 5.655 -28.295 -1.411 1.00 15.14 H new ATOM 0 HZ1 LYS A 150 6.901 -29.717 -0.287 1.00 42.30 H new ATOM 0 HZ2 LYS A 150 6.476 -28.973 1.179 1.00 42.30 H new ATOM 0 HZ3 LYS A 150 5.550 -30.266 0.584 1.00 42.30 H new ATOM 1008 N GLU A 151 4.715 -24.085 2.491 1.00 41.22 N ATOM 1009 CA GLU A 151 5.783 -23.166 2.113 1.00 55.31 C ATOM 1010 C GLU A 151 6.959 -23.922 1.500 1.00 33.43 C ATOM 1011 O GLU A 151 7.728 -24.575 2.206 1.00 74.30 O ATOM 1012 CB GLU A 151 6.255 -22.368 3.330 1.00 5.22 C ATOM 1013 CG GLU A 151 5.372 -21.174 3.655 1.00 51.44 C ATOM 1014 CD GLU A 151 5.809 -19.912 2.938 1.00 14.32 C ATOM 1015 OE1 GLU A 151 6.366 -20.023 1.826 1.00 24.15 O ATOM 1016 OE2 GLU A 151 5.593 -18.813 3.490 1.00 1.24 O1- ATOM 0 H GLU A 151 4.749 -24.395 3.462 1.00 41.22 H new ATOM 0 HA GLU A 151 5.387 -22.477 1.367 1.00 55.31 H new ATOM 0 HB2 GLU A 151 6.291 -23.029 4.196 1.00 5.22 H new ATOM 0 HB3 GLU A 151 7.272 -22.019 3.153 1.00 5.22 H new ATOM 0 HG2 GLU A 151 4.342 -21.404 3.382 1.00 51.44 H new ATOM 0 HG3 GLU A 151 5.386 -20.999 4.731 1.00 51.44 H new ATOM 1023 N LEU A 152 7.091 -23.829 0.182 1.00 4.40 N ATOM 1024 CA LEU A 152 8.171 -24.504 -0.529 1.00 14.53 C ATOM 1025 C LEU A 152 9.123 -23.493 -1.159 1.00 1.52 C ATOM 1026 O LEU A 152 8.741 -22.357 -1.440 1.00 22.54 O ATOM 1027 CB LEU A 152 7.602 -25.426 -1.607 1.00 72.43 C ATOM 1028 CG LEU A 152 8.432 -26.667 -1.936 1.00 52.41 C ATOM 1029 CD1 LEU A 152 8.588 -27.547 -0.705 1.00 52.35 C ATOM 1030 CD2 LEU A 152 7.795 -27.450 -3.074 1.00 3.13 C ATOM 0 H LEU A 152 6.463 -23.292 -0.417 1.00 4.40 H new ATOM 0 HA LEU A 152 8.729 -25.101 0.192 1.00 14.53 H new ATOM 0 HB2 LEU A 152 6.610 -25.750 -1.293 1.00 72.43 H new ATOM 0 HB3 LEU A 152 7.473 -24.847 -2.521 1.00 72.43 H new ATOM 0 HG LEU A 152 9.423 -26.342 -2.255 1.00 52.41 H new ATOM 0 HD11 LEU A 152 9.182 -28.425 -0.959 1.00 52.35 H new ATOM 0 HD12 LEU A 152 9.090 -26.985 0.083 1.00 52.35 H new ATOM 0 HD13 LEU A 152 7.605 -27.862 -0.356 1.00 52.35 H new ATOM 0 HD21 LEU A 152 8.400 -28.330 -3.294 1.00 3.13 H new ATOM 0 HD22 LEU A 152 6.792 -27.763 -2.784 1.00 3.13 H new ATOM 0 HD23 LEU A 152 7.736 -26.819 -3.961 1.00 3.13 H new ATOM 1042 N GLU A 153 10.364 -23.914 -1.381 1.00 64.45 N ATOM 1043 CA GLU A 153 11.370 -23.045 -1.980 1.00 72.24 C ATOM 1044 C GLU A 153 11.482 -23.296 -3.482 1.00 52.22 C ATOM 1045 O GLU A 153 11.611 -24.438 -3.923 1.00 74.32 O ATOM 1046 CB GLU A 153 12.729 -23.264 -1.313 1.00 65.41 C ATOM 1047 CG GLU A 153 12.724 -22.991 0.182 1.00 32.34 C ATOM 1048 CD GLU A 153 14.120 -22.957 0.773 1.00 54.31 C ATOM 1049 OE1 GLU A 153 14.799 -24.005 0.754 1.00 12.13 O1- ATOM 1050 OE2 GLU A 153 14.535 -21.882 1.255 1.00 31.43 O ATOM 0 H GLU A 153 10.697 -24.851 -1.155 1.00 64.45 H new ATOM 0 HA GLU A 153 11.059 -22.012 -1.824 1.00 72.24 H new ATOM 0 HB2 GLU A 153 13.047 -24.292 -1.485 1.00 65.41 H new ATOM 0 HB3 GLU A 153 13.466 -22.618 -1.789 1.00 65.41 H new ATOM 0 HG2 GLU A 153 12.230 -22.038 0.372 1.00 32.34 H new ATOM 0 HG3 GLU A 153 12.139 -23.760 0.686 1.00 32.34 H new ATOM 1057 N PHE A 154 11.430 -22.221 -4.261 1.00 71.32 N ATOM 1058 CA PHE A 154 11.523 -22.323 -5.713 1.00 73.31 C ATOM 1059 C PHE A 154 12.680 -21.481 -6.244 1.00 21.25 C ATOM 1060 O PHE A 154 13.399 -20.839 -5.478 1.00 32.42 O ATOM 1061 CB PHE A 154 10.212 -21.878 -6.363 1.00 71.02 C ATOM 1062 CG PHE A 154 9.005 -22.597 -5.831 1.00 21.14 C ATOM 1063 CD1 PHE A 154 8.403 -22.187 -4.651 1.00 72.32 C ATOM 1064 CD2 PHE A 154 8.473 -23.681 -6.509 1.00 33.11 C ATOM 1065 CE1 PHE A 154 7.292 -22.847 -4.160 1.00 33.30 C ATOM 1066 CE2 PHE A 154 7.363 -24.344 -6.022 1.00 3.41 C ATOM 1067 CZ PHE A 154 6.771 -23.927 -4.846 1.00 31.11 C ATOM 0 H PHE A 154 11.324 -21.269 -3.911 1.00 71.32 H new ATOM 0 HA PHE A 154 11.709 -23.366 -5.968 1.00 73.31 H new ATOM 0 HB2 PHE A 154 10.084 -20.807 -6.208 1.00 71.02 H new ATOM 0 HB3 PHE A 154 10.276 -22.039 -7.439 1.00 71.02 H new ATOM 0 HD1 PHE A 154 8.806 -21.344 -4.110 1.00 72.32 H new ATOM 0 HD2 PHE A 154 8.931 -24.012 -7.429 1.00 33.11 H new ATOM 0 HE1 PHE A 154 6.831 -22.518 -3.240 1.00 33.30 H new ATOM 0 HE2 PHE A 154 6.958 -25.188 -6.561 1.00 3.41 H new ATOM 0 HZ PHE A 154 5.903 -24.444 -4.464 1.00 31.11 H new ATOM 1077 N LYS A 155 12.852 -21.489 -7.562 1.00 14.10 N ATOM 1078 CA LYS A 155 13.919 -20.726 -8.198 1.00 52.02 C ATOM 1079 C LYS A 155 13.441 -20.110 -9.509 1.00 34.24 C ATOM 1080 O LYS A 155 12.623 -20.695 -10.219 1.00 74.34 O ATOM 1081 CB LYS A 155 15.132 -21.624 -8.457 1.00 22.41 C ATOM 1082 CG LYS A 155 16.436 -20.858 -8.597 1.00 33.03 C ATOM 1083 CD LYS A 155 16.751 -20.555 -10.052 1.00 61.52 C ATOM 1084 CE LYS A 155 17.538 -21.684 -10.699 1.00 44.24 C ATOM 1085 NZ LYS A 155 18.932 -21.757 -10.182 1.00 21.03 N1+ ATOM 0 H LYS A 155 12.266 -22.015 -8.210 1.00 14.10 H new ATOM 0 HA LYS A 155 14.208 -19.921 -7.522 1.00 52.02 H new ATOM 0 HB2 LYS A 155 15.226 -22.339 -7.639 1.00 22.41 H new ATOM 0 HB3 LYS A 155 14.959 -22.201 -9.366 1.00 22.41 H new ATOM 0 HG2 LYS A 155 16.374 -19.926 -8.036 1.00 33.03 H new ATOM 0 HG3 LYS A 155 17.249 -21.439 -8.161 1.00 33.03 H new ATOM 0 HD2 LYS A 155 15.823 -20.396 -10.601 1.00 61.52 H new ATOM 0 HD3 LYS A 155 17.322 -19.629 -10.116 1.00 61.52 H new ATOM 0 HE2 LYS A 155 17.032 -22.632 -10.514 1.00 44.24 H new ATOM 0 HE3 LYS A 155 17.559 -21.539 -11.779 1.00 44.24 H new ATOM 0 HZ1 LYS A 155 19.525 -22.284 -10.855 1.00 21.03 H new ATOM 0 HZ2 LYS A 155 19.310 -20.795 -10.067 1.00 21.03 H new ATOM 0 HZ3 LYS A 155 18.936 -22.243 -9.263 1.00 21.03 H new ATOM 1099 N VAL A 156 13.957 -18.926 -9.825 1.00 14.23 N ATOM 1100 CA VAL A 156 13.583 -18.233 -11.051 1.00 74.32 C ATOM 1101 C VAL A 156 14.571 -18.530 -12.174 1.00 51.23 C ATOM 1102 O VAL A 156 15.447 -17.717 -12.475 1.00 60.42 O ATOM 1103 CB VAL A 156 13.511 -16.709 -10.836 1.00 20.45 C ATOM 1104 CG1 VAL A 156 13.047 -16.011 -12.105 1.00 14.03 C ATOM 1105 CG2 VAL A 156 12.594 -16.380 -9.669 1.00 31.34 C ATOM 0 H VAL A 156 14.635 -18.427 -9.249 1.00 14.23 H new ATOM 0 HA VAL A 156 12.596 -18.600 -11.332 1.00 74.32 H new ATOM 0 HB VAL A 156 14.510 -16.345 -10.597 1.00 20.45 H new ATOM 0 HG11 VAL A 156 13.002 -14.936 -11.933 1.00 14.03 H new ATOM 0 HG12 VAL A 156 13.748 -16.221 -12.913 1.00 14.03 H new ATOM 0 HG13 VAL A 156 12.057 -16.376 -12.380 1.00 14.03 H new ATOM 0 HG21 VAL A 156 12.554 -15.300 -9.531 1.00 31.34 H new ATOM 0 HG22 VAL A 156 11.592 -16.756 -9.876 1.00 31.34 H new ATOM 0 HG23 VAL A 156 12.977 -16.848 -8.762 1.00 31.34 H new ATOM 1115 N ILE A 157 14.426 -19.699 -12.789 1.00 64.23 N ATOM 1116 CA ILE A 157 15.306 -20.102 -13.879 1.00 1.32 C ATOM 1117 C ILE A 157 14.734 -19.683 -15.230 1.00 51.51 C ATOM 1118 O ILE A 157 15.473 -19.496 -16.197 1.00 50.24 O ATOM 1119 CB ILE A 157 15.535 -21.625 -13.882 1.00 71.04 C ATOM 1120 CG1 ILE A 157 16.643 -21.994 -14.871 1.00 51.24 C ATOM 1121 CG2 ILE A 157 14.245 -22.354 -14.227 1.00 54.14 C ATOM 1122 CD1 ILE A 157 17.659 -22.962 -14.307 1.00 30.43 C ATOM 0 H ILE A 157 13.708 -20.383 -12.551 1.00 64.23 H new ATOM 0 HA ILE A 157 16.260 -19.599 -13.719 1.00 1.32 H new ATOM 0 HB ILE A 157 15.847 -21.933 -12.884 1.00 71.04 H new ATOM 0 HG12 ILE A 157 16.193 -22.431 -15.762 1.00 51.24 H new ATOM 0 HG13 ILE A 157 17.155 -21.085 -15.186 1.00 51.24 H new ATOM 0 HG21 ILE A 157 14.423 -23.429 -14.225 1.00 54.14 H new ATOM 0 HG22 ILE A 157 13.481 -22.111 -13.488 1.00 54.14 H new ATOM 0 HG23 ILE A 157 13.905 -22.044 -15.215 1.00 54.14 H new ATOM 0 HD11 ILE A 157 18.414 -23.178 -15.063 1.00 30.43 H new ATOM 0 HD12 ILE A 157 18.137 -22.520 -13.433 1.00 30.43 H new ATOM 0 HD13 ILE A 157 17.159 -23.887 -14.018 1.00 30.43 H new ATOM 1134 N LYS A 158 13.415 -19.534 -15.288 1.00 11.20 N ATOM 1135 CA LYS A 158 12.744 -19.132 -16.519 1.00 74.04 C ATOM 1136 C LYS A 158 11.444 -18.396 -16.214 1.00 3.31 C ATOM 1137 O LYS A 158 10.502 -18.977 -15.672 1.00 5.10 O ATOM 1138 CB LYS A 158 12.457 -20.358 -17.389 1.00 24.24 C ATOM 1139 CG LYS A 158 13.693 -20.924 -18.068 1.00 25.34 C ATOM 1140 CD LYS A 158 14.328 -19.911 -19.005 1.00 75.32 C ATOM 1141 CE LYS A 158 15.082 -20.592 -20.136 1.00 1.33 C ATOM 1142 NZ LYS A 158 15.296 -19.678 -21.292 1.00 35.23 N1+ ATOM 0 H LYS A 158 12.789 -19.686 -14.497 1.00 11.20 H new ATOM 0 HA LYS A 158 13.405 -18.455 -17.061 1.00 74.04 H new ATOM 0 HB2 LYS A 158 12.004 -21.134 -16.771 1.00 24.24 H new ATOM 0 HB3 LYS A 158 11.725 -20.090 -18.151 1.00 24.24 H new ATOM 0 HG2 LYS A 158 14.418 -21.226 -17.312 1.00 25.34 H new ATOM 0 HG3 LYS A 158 13.424 -21.820 -18.628 1.00 25.34 H new ATOM 0 HD2 LYS A 158 13.555 -19.264 -19.420 1.00 75.32 H new ATOM 0 HD3 LYS A 158 15.011 -19.273 -18.444 1.00 75.32 H new ATOM 0 HE2 LYS A 158 16.046 -20.944 -19.769 1.00 1.33 H new ATOM 0 HE3 LYS A 158 14.526 -21.470 -20.466 1.00 1.33 H new ATOM 0 HZ1 LYS A 158 15.813 -20.181 -22.041 1.00 35.23 H new ATOM 0 HZ2 LYS A 158 14.376 -19.361 -21.659 1.00 35.23 H new ATOM 0 HZ3 LYS A 158 15.848 -18.852 -20.984 1.00 35.23 H new ATOM 1156 N LEU A 159 11.397 -17.116 -16.566 1.00 22.41 N ATOM 1157 CA LEU A 159 10.212 -16.300 -16.331 1.00 43.12 C ATOM 1158 C LEU A 159 9.635 -15.787 -17.646 1.00 63.43 C ATOM 1159 O LEU A 159 10.365 -15.562 -18.611 1.00 65.04 O ATOM 1160 CB LEU A 159 10.550 -15.123 -15.416 1.00 4.42 C ATOM 1161 CG LEU A 159 11.910 -14.463 -15.648 1.00 11.11 C ATOM 1162 CD1 LEU A 159 11.932 -13.741 -16.987 1.00 0.52 C ATOM 1163 CD2 LEU A 159 12.236 -13.499 -14.516 1.00 43.35 C ATOM 0 H LEU A 159 12.167 -16.621 -17.016 1.00 22.41 H new ATOM 0 HA LEU A 159 9.463 -16.925 -15.845 1.00 43.12 H new ATOM 0 HB2 LEU A 159 9.776 -14.365 -15.532 1.00 4.42 H new ATOM 0 HB3 LEU A 159 10.507 -15.468 -14.383 1.00 4.42 H new ATOM 0 HG LEU A 159 12.672 -15.243 -15.666 1.00 11.11 H new ATOM 0 HD11 LEU A 159 12.908 -13.278 -17.135 1.00 0.52 H new ATOM 0 HD12 LEU A 159 11.745 -14.455 -17.789 1.00 0.52 H new ATOM 0 HD13 LEU A 159 11.160 -12.972 -16.998 1.00 0.52 H new ATOM 0 HD21 LEU A 159 13.207 -13.039 -14.698 1.00 43.35 H new ATOM 0 HD22 LEU A 159 11.471 -12.724 -14.466 1.00 43.35 H new ATOM 0 HD23 LEU A 159 12.264 -14.043 -13.572 1.00 43.35 H new ATOM 1175 N ASP A 160 8.318 -15.604 -17.678 1.00 63.41 N ATOM 1176 CA ASP A 160 7.643 -15.114 -18.874 1.00 74.52 C ATOM 1177 C ASP A 160 6.999 -13.755 -18.617 1.00 55.45 C ATOM 1178 O ASP A 160 5.791 -13.589 -18.784 1.00 12.23 O ATOM 1179 CB ASP A 160 6.584 -16.116 -19.334 1.00 1.44 C ATOM 1180 CG ASP A 160 7.071 -17.550 -19.260 1.00 35.14 C ATOM 1181 OD1 ASP A 160 8.284 -17.774 -19.451 1.00 74.23 O1- ATOM 1182 OD2 ASP A 160 6.239 -18.448 -19.012 1.00 20.24 O ATOM 0 H ASP A 160 7.698 -15.788 -16.889 1.00 63.41 H new ATOM 0 HA ASP A 160 8.389 -14.999 -19.661 1.00 74.52 H new ATOM 0 HB2 ASP A 160 5.692 -16.006 -18.717 1.00 1.44 H new ATOM 0 HB3 ASP A 160 6.293 -15.887 -20.359 1.00 1.44 H new ATOM 1187 N GLN A 161 7.814 -12.788 -18.207 1.00 71.33 N ATOM 1188 CA GLN A 161 7.323 -11.445 -17.924 1.00 43.43 C ATOM 1189 C GLN A 161 6.663 -10.835 -19.158 1.00 43.02 C ATOM 1190 O GLN A 161 5.809 -9.957 -19.049 1.00 33.42 O ATOM 1191 CB GLN A 161 8.467 -10.550 -17.449 1.00 3.00 C ATOM 1192 CG GLN A 161 9.703 -10.619 -18.333 1.00 42.43 C ATOM 1193 CD GLN A 161 10.465 -9.310 -18.374 1.00 42.32 C ATOM 1194 OE1 GLN A 161 10.043 -8.313 -17.787 1.00 31.54 O ATOM 1195 NE2 GLN A 161 11.595 -9.305 -19.071 1.00 21.10 N ATOM 0 H GLN A 161 8.816 -12.910 -18.064 1.00 71.33 H new ATOM 0 HA GLN A 161 6.576 -11.518 -17.133 1.00 43.43 H new ATOM 0 HB2 GLN A 161 8.117 -9.519 -17.408 1.00 3.00 H new ATOM 0 HB3 GLN A 161 8.741 -10.834 -16.433 1.00 3.00 H new ATOM 0 HG2 GLN A 161 10.362 -11.407 -17.969 1.00 42.43 H new ATOM 0 HG3 GLN A 161 9.406 -10.894 -19.345 1.00 42.43 H new ATOM 0 HE21 GLN A 161 11.908 -10.154 -19.542 1.00 21.10 H new ATOM 0 HE22 GLN A 161 12.151 -8.452 -19.136 1.00 21.10 H new ATOM 1204 N LYS A 162 7.067 -11.308 -20.332 1.00 74.31 N ATOM 1205 CA LYS A 162 6.516 -10.811 -21.588 1.00 0.03 C ATOM 1206 C LYS A 162 4.998 -10.946 -21.605 1.00 53.11 C ATOM 1207 O LYS A 162 4.308 -10.199 -22.302 1.00 52.53 O ATOM 1208 CB LYS A 162 7.121 -11.572 -22.770 1.00 22.24 C ATOM 1209 CG LYS A 162 6.769 -10.975 -24.122 1.00 53.23 C ATOM 1210 CD LYS A 162 6.735 -12.037 -25.208 1.00 14.41 C ATOM 1211 CE LYS A 162 5.940 -11.571 -26.418 1.00 61.10 C ATOM 1212 NZ LYS A 162 5.711 -12.676 -27.390 1.00 71.30 N1+ ATOM 0 H LYS A 162 7.774 -12.035 -20.440 1.00 74.31 H new ATOM 0 HA LYS A 162 6.770 -9.755 -21.676 1.00 0.03 H new ATOM 0 HB2 LYS A 162 8.205 -11.591 -22.662 1.00 22.24 H new ATOM 0 HB3 LYS A 162 6.779 -12.606 -22.739 1.00 22.24 H new ATOM 0 HG2 LYS A 162 5.798 -10.483 -24.062 1.00 53.23 H new ATOM 0 HG3 LYS A 162 7.499 -10.209 -24.384 1.00 53.23 H new ATOM 0 HD2 LYS A 162 7.753 -12.281 -25.512 1.00 14.41 H new ATOM 0 HD3 LYS A 162 6.293 -12.951 -24.811 1.00 14.41 H new ATOM 0 HE2 LYS A 162 4.981 -11.171 -26.090 1.00 61.10 H new ATOM 0 HE3 LYS A 162 6.473 -10.758 -26.911 1.00 61.10 H new ATOM 0 HZ1 LYS A 162 5.166 -12.318 -28.200 1.00 71.30 H new ATOM 0 HZ2 LYS A 162 6.626 -13.041 -27.722 1.00 71.30 H new ATOM 0 HZ3 LYS A 162 5.181 -13.441 -26.927 1.00 71.30 H new ATOM 1226 N ARG A 163 4.483 -11.899 -20.836 1.00 24.25 N ATOM 1227 CA ARG A 163 3.045 -12.130 -20.765 1.00 62.53 C ATOM 1228 C ARG A 163 2.486 -11.668 -19.422 1.00 54.45 C ATOM 1229 O ARG A 163 1.451 -12.153 -18.969 1.00 65.14 O ATOM 1230 CB ARG A 163 2.734 -13.613 -20.976 1.00 3.31 C ATOM 1231 CG ARG A 163 1.555 -13.863 -21.902 1.00 22.22 C ATOM 1232 CD ARG A 163 0.236 -13.823 -21.149 1.00 13.20 C ATOM 1233 NE ARG A 163 -0.384 -12.501 -21.199 1.00 12.45 N ATOM 1234 CZ ARG A 163 -1.497 -12.186 -20.545 1.00 22.53 C ATOM 1235 NH1 ARG A 163 -2.108 -13.093 -19.794 1.00 24.04 N1+ ATOM 1236 NH2 ARG A 163 -1.999 -10.962 -20.640 1.00 20.22 N ATOM 0 H ARG A 163 5.040 -12.524 -20.253 1.00 24.25 H new ATOM 0 HA ARG A 163 2.570 -11.550 -21.556 1.00 62.53 H new ATOM 0 HB2 ARG A 163 3.616 -14.106 -21.384 1.00 3.31 H new ATOM 0 HB3 ARG A 163 2.530 -14.074 -20.009 1.00 3.31 H new ATOM 0 HG2 ARG A 163 1.547 -13.113 -22.692 1.00 22.22 H new ATOM 0 HG3 ARG A 163 1.670 -14.833 -22.385 1.00 22.22 H new ATOM 0 HD2 ARG A 163 -0.446 -14.559 -21.574 1.00 13.20 H new ATOM 0 HD3 ARG A 163 0.403 -14.106 -20.110 1.00 13.20 H new ATOM 0 HE ARG A 163 0.062 -11.781 -21.767 1.00 12.45 H new ATOM 0 HH11 ARG A 163 -1.724 -14.035 -19.718 1.00 24.04 H new ATOM 0 HH12 ARG A 163 -2.962 -12.849 -19.293 1.00 24.04 H new ATOM 0 HH21 ARG A 163 -1.531 -10.262 -21.215 1.00 20.22 H new ATOM 0 HH22 ARG A 163 -2.853 -10.721 -20.138 1.00 20.22 H new ATOM 1250 N ASN A 164 3.181 -10.726 -18.791 1.00 34.44 N ATOM 1251 CA ASN A 164 2.755 -10.199 -17.499 1.00 31.41 C ATOM 1252 C ASN A 164 2.541 -11.327 -16.495 1.00 13.15 C ATOM 1253 O ASN A 164 1.734 -11.207 -15.574 1.00 31.11 O ATOM 1254 CB ASN A 164 1.466 -9.390 -17.655 1.00 35.43 C ATOM 1255 CG ASN A 164 1.537 -8.406 -18.808 1.00 23.04 C ATOM 1256 OD1 ASN A 164 0.615 -8.316 -19.619 1.00 72.53 O ATOM 1257 ND2 ASN A 164 2.635 -7.663 -18.885 1.00 42.42 N ATOM 0 H ASN A 164 4.040 -10.313 -19.153 1.00 34.44 H new ATOM 0 HA ASN A 164 3.543 -9.546 -17.123 1.00 31.41 H new ATOM 0 HB2 ASN A 164 0.630 -10.071 -17.813 1.00 35.43 H new ATOM 0 HB3 ASN A 164 1.266 -8.848 -16.730 1.00 35.43 H new ATOM 0 HD21 ASN A 164 2.739 -6.984 -19.639 1.00 42.42 H new ATOM 0 HD22 ASN A 164 3.374 -7.772 -18.190 1.00 42.42 H new ATOM 1264 N ASN A 165 3.272 -12.422 -16.680 1.00 24.24 N ATOM 1265 CA ASN A 165 3.162 -13.573 -15.789 1.00 24.21 C ATOM 1266 C ASN A 165 4.525 -14.224 -15.573 1.00 75.13 C ATOM 1267 O ASN A 165 5.510 -13.857 -16.214 1.00 12.32 O ATOM 1268 CB ASN A 165 2.181 -14.596 -16.363 1.00 52.22 C ATOM 1269 CG ASN A 165 1.508 -15.420 -15.281 1.00 64.44 C ATOM 1270 OD1 ASN A 165 0.964 -14.878 -14.320 1.00 33.43 O ATOM 1271 ND2 ASN A 165 1.543 -16.739 -15.435 1.00 51.05 N ATOM 0 H ASN A 165 3.946 -12.537 -17.437 1.00 24.24 H new ATOM 0 HA ASN A 165 2.789 -13.223 -14.827 1.00 24.21 H new ATOM 0 HB2 ASN A 165 1.421 -14.078 -16.948 1.00 52.22 H new ATOM 0 HB3 ASN A 165 2.711 -15.260 -17.046 1.00 52.22 H new ATOM 0 HD21 ASN A 165 1.107 -17.345 -14.740 1.00 51.05 H new ATOM 0 HD22 ASN A 165 2.006 -17.145 -16.248 1.00 51.05 H new ATOM 1278 N VAL A 166 4.574 -15.194 -14.666 1.00 14.54 N ATOM 1279 CA VAL A 166 5.814 -15.899 -14.365 1.00 71.02 C ATOM 1280 C VAL A 166 5.543 -17.347 -13.975 1.00 3.03 C ATOM 1281 O VAL A 166 4.542 -17.649 -13.324 1.00 35.01 O ATOM 1282 CB VAL A 166 6.591 -15.209 -13.228 1.00 45.01 C ATOM 1283 CG1 VAL A 166 6.846 -13.747 -13.566 1.00 21.30 C ATOM 1284 CG2 VAL A 166 5.836 -15.337 -11.914 1.00 20.03 C ATOM 0 H VAL A 166 3.768 -15.510 -14.126 1.00 14.54 H new ATOM 0 HA VAL A 166 6.418 -15.878 -15.272 1.00 71.02 H new ATOM 0 HB VAL A 166 7.555 -15.705 -13.117 1.00 45.01 H new ATOM 0 HG11 VAL A 166 7.396 -13.276 -12.751 1.00 21.30 H new ATOM 0 HG12 VAL A 166 7.431 -13.682 -14.484 1.00 21.30 H new ATOM 0 HG13 VAL A 166 5.894 -13.234 -13.705 1.00 21.30 H new ATOM 0 HG21 VAL A 166 6.399 -14.844 -11.121 1.00 20.03 H new ATOM 0 HG22 VAL A 166 4.857 -14.867 -12.010 1.00 20.03 H new ATOM 0 HG23 VAL A 166 5.710 -16.391 -11.668 1.00 20.03 H new ATOM 1294 N VAL A 167 6.442 -18.240 -14.375 1.00 13.11 N ATOM 1295 CA VAL A 167 6.301 -19.658 -14.065 1.00 13.14 C ATOM 1296 C VAL A 167 7.573 -20.212 -13.433 1.00 22.44 C ATOM 1297 O VAL A 167 8.605 -19.542 -13.400 1.00 43.21 O ATOM 1298 CB VAL A 167 5.970 -20.478 -15.327 1.00 34.31 C ATOM 1299 CG1 VAL A 167 4.719 -19.938 -16.002 1.00 72.33 C ATOM 1300 CG2 VAL A 167 7.149 -20.474 -16.289 1.00 20.40 C ATOM 0 H VAL A 167 7.276 -18.007 -14.914 1.00 13.11 H new ATOM 0 HA VAL A 167 5.478 -19.746 -13.356 1.00 13.14 H new ATOM 0 HB VAL A 167 5.777 -21.509 -15.029 1.00 34.31 H new ATOM 0 HG11 VAL A 167 4.501 -20.530 -16.891 1.00 72.33 H new ATOM 0 HG12 VAL A 167 3.878 -19.998 -15.311 1.00 72.33 H new ATOM 0 HG13 VAL A 167 4.880 -18.899 -16.288 1.00 72.33 H new ATOM 0 HG21 VAL A 167 6.898 -21.058 -17.175 1.00 20.40 H new ATOM 0 HG22 VAL A 167 7.376 -19.449 -16.582 1.00 20.40 H new ATOM 0 HG23 VAL A 167 8.019 -20.912 -15.800 1.00 20.40 H new ATOM 1310 N VAL A 168 7.492 -21.440 -12.931 1.00 51.55 N ATOM 1311 CA VAL A 168 8.636 -22.086 -12.300 1.00 64.01 C ATOM 1312 C VAL A 168 9.004 -23.378 -13.019 1.00 10.40 C ATOM 1313 O VAL A 168 8.164 -24.000 -13.669 1.00 41.54 O ATOM 1314 CB VAL A 168 8.358 -22.397 -10.817 1.00 22.31 C ATOM 1315 CG1 VAL A 168 8.420 -21.126 -9.983 1.00 30.42 C ATOM 1316 CG2 VAL A 168 7.009 -23.083 -10.661 1.00 74.30 C ATOM 0 H VAL A 168 6.645 -22.008 -12.949 1.00 51.55 H new ATOM 0 HA VAL A 168 9.470 -21.387 -12.367 1.00 64.01 H new ATOM 0 HB VAL A 168 9.129 -23.077 -10.455 1.00 22.31 H new ATOM 0 HG11 VAL A 168 8.221 -21.366 -8.939 1.00 30.42 H new ATOM 0 HG12 VAL A 168 9.411 -20.681 -10.071 1.00 30.42 H new ATOM 0 HG13 VAL A 168 7.672 -20.419 -10.342 1.00 30.42 H new ATOM 0 HG21 VAL A 168 6.829 -23.296 -9.607 1.00 74.30 H new ATOM 0 HG22 VAL A 168 6.223 -22.430 -11.039 1.00 74.30 H new ATOM 0 HG23 VAL A 168 7.008 -24.016 -11.225 1.00 74.30 H new ATOM 1326 N SER A 169 10.266 -23.778 -12.898 1.00 61.10 N ATOM 1327 CA SER A 169 10.747 -24.996 -13.539 1.00 42.35 C ATOM 1328 C SER A 169 10.542 -26.206 -12.632 1.00 41.01 C ATOM 1329 O SER A 169 10.457 -26.071 -11.411 1.00 55.21 O ATOM 1330 CB SER A 169 12.228 -24.858 -13.899 1.00 11.22 C ATOM 1331 OG SER A 169 12.389 -24.352 -15.214 1.00 62.55 O ATOM 0 H SER A 169 10.974 -23.276 -12.362 1.00 61.10 H new ATOM 0 HA SER A 169 10.171 -25.148 -14.452 1.00 42.35 H new ATOM 0 HB2 SER A 169 12.718 -24.193 -13.188 1.00 11.22 H new ATOM 0 HB3 SER A 169 12.717 -25.829 -13.817 1.00 11.22 H new ATOM 0 HG SER A 169 13.222 -24.698 -15.598 1.00 62.55 H new ATOM 1337 N ARG A 170 10.466 -27.385 -13.238 1.00 13.32 N ATOM 1338 CA ARG A 170 10.271 -28.619 -12.487 1.00 64.45 C ATOM 1339 C ARG A 170 11.596 -29.132 -11.929 1.00 32.44 C ATOM 1340 O ARG A 170 11.630 -29.793 -10.892 1.00 71.21 O ATOM 1341 CB ARG A 170 9.631 -29.687 -13.375 1.00 3.01 C ATOM 1342 CG ARG A 170 10.420 -29.979 -14.640 1.00 21.22 C ATOM 1343 CD ARG A 170 9.672 -29.520 -15.882 1.00 64.43 C ATOM 1344 NE ARG A 170 10.578 -29.223 -16.989 1.00 33.33 N ATOM 1345 CZ ARG A 170 10.239 -28.482 -18.038 1.00 12.34 C ATOM 1346 NH1 ARG A 170 9.020 -27.965 -18.122 1.00 3.35 N1+ ATOM 1347 NH2 ARG A 170 11.119 -28.256 -19.005 1.00 44.41 N ATOM 0 H ARG A 170 10.536 -27.512 -14.248 1.00 13.32 H new ATOM 0 HA ARG A 170 9.604 -28.404 -11.652 1.00 64.45 H new ATOM 0 HB2 ARG A 170 9.525 -30.608 -12.802 1.00 3.01 H new ATOM 0 HB3 ARG A 170 8.626 -29.365 -13.650 1.00 3.01 H new ATOM 0 HG2 ARG A 170 11.387 -29.478 -14.591 1.00 21.22 H new ATOM 0 HG3 ARG A 170 10.618 -31.049 -14.708 1.00 21.22 H new ATOM 0 HD2 ARG A 170 8.968 -30.294 -16.188 1.00 64.43 H new ATOM 0 HD3 ARG A 170 9.086 -28.632 -15.645 1.00 64.43 H new ATOM 0 HE ARG A 170 11.523 -29.606 -16.954 1.00 33.33 H new ATOM 0 HH11 ARG A 170 8.341 -28.136 -17.380 1.00 3.35 H new ATOM 0 HH12 ARG A 170 8.762 -27.396 -18.928 1.00 3.35 H new ATOM 0 HH21 ARG A 170 12.057 -28.651 -18.943 1.00 44.41 H new ATOM 0 HH22 ARG A 170 10.857 -27.687 -19.810 1.00 44.41 H new ATOM 1361 N ARG A 171 12.684 -28.824 -12.628 1.00 61.43 N ATOM 1362 CA ARG A 171 14.011 -29.255 -12.204 1.00 54.13 C ATOM 1363 C ARG A 171 14.458 -28.496 -10.957 1.00 41.13 C ATOM 1364 O ARG A 171 15.297 -28.973 -10.195 1.00 64.11 O ATOM 1365 CB ARG A 171 15.023 -29.045 -13.332 1.00 13.15 C ATOM 1366 CG ARG A 171 15.184 -27.590 -13.742 1.00 24.35 C ATOM 1367 CD ARG A 171 15.977 -27.461 -15.034 1.00 42.03 C ATOM 1368 NE ARG A 171 17.406 -27.681 -14.824 1.00 64.34 N ATOM 1369 CZ ARG A 171 18.311 -27.601 -15.792 1.00 51.24 C ATOM 1370 NH1 ARG A 171 17.939 -27.309 -17.030 1.00 23.41 N1+ ATOM 1371 NH2 ARG A 171 19.593 -27.814 -15.523 1.00 34.32 N ATOM 0 H ARG A 171 12.673 -28.278 -13.490 1.00 61.43 H new ATOM 0 HA ARG A 171 13.960 -30.317 -11.963 1.00 54.13 H new ATOM 0 HB2 ARG A 171 15.991 -29.434 -13.017 1.00 13.15 H new ATOM 0 HB3 ARG A 171 14.713 -29.626 -14.200 1.00 13.15 H new ATOM 0 HG2 ARG A 171 14.201 -27.136 -13.870 1.00 24.35 H new ATOM 0 HG3 ARG A 171 15.689 -27.040 -12.947 1.00 24.35 H new ATOM 0 HD2 ARG A 171 15.603 -28.180 -15.762 1.00 42.03 H new ATOM 0 HD3 ARG A 171 15.821 -26.469 -15.457 1.00 42.03 H new ATOM 0 HE ARG A 171 17.726 -27.908 -13.882 1.00 64.34 H new ATOM 0 HH11 ARG A 171 16.955 -27.145 -17.241 1.00 23.41 H new ATOM 0 HH12 ARG A 171 18.637 -27.248 -17.771 1.00 23.41 H new ATOM 0 HH21 ARG A 171 19.884 -28.039 -14.572 1.00 34.32 H new ATOM 0 HH22 ARG A 171 20.287 -27.752 -16.268 1.00 34.32 H new ATOM 1385 N ALA A 172 13.890 -27.310 -10.759 1.00 63.40 N ATOM 1386 CA ALA A 172 14.228 -26.487 -9.605 1.00 2.13 C ATOM 1387 C ALA A 172 13.789 -27.154 -8.305 1.00 45.02 C ATOM 1388 O ALA A 172 14.211 -26.757 -7.219 1.00 44.21 O ATOM 1389 CB ALA A 172 13.591 -25.110 -9.734 1.00 62.22 C ATOM 0 H ALA A 172 13.195 -26.899 -11.382 1.00 63.40 H new ATOM 0 HA ALA A 172 15.312 -26.374 -9.577 1.00 2.13 H new ATOM 0 HB1 ALA A 172 13.852 -24.506 -8.865 1.00 62.22 H new ATOM 0 HB2 ALA A 172 13.957 -24.623 -10.638 1.00 62.22 H new ATOM 0 HB3 ALA A 172 12.508 -25.214 -9.792 1.00 62.22 H new ATOM 1395 N VAL A 173 12.940 -28.169 -8.425 1.00 4.21 N ATOM 1396 CA VAL A 173 12.444 -28.891 -7.259 1.00 11.43 C ATOM 1397 C VAL A 173 13.595 -29.383 -6.388 1.00 14.32 C ATOM 1398 O VAL A 173 13.444 -29.542 -5.176 1.00 63.23 O ATOM 1399 CB VAL A 173 11.576 -30.095 -7.673 1.00 61.53 C ATOM 1400 CG1 VAL A 173 12.410 -31.120 -8.426 1.00 60.30 C ATOM 1401 CG2 VAL A 173 10.920 -30.722 -6.451 1.00 52.12 C ATOM 0 H VAL A 173 12.581 -28.510 -9.317 1.00 4.21 H new ATOM 0 HA VAL A 173 11.833 -28.192 -6.688 1.00 11.43 H new ATOM 0 HB VAL A 173 10.789 -29.743 -8.340 1.00 61.53 H new ATOM 0 HG11 VAL A 173 11.780 -31.963 -8.710 1.00 60.30 H new ATOM 0 HG12 VAL A 173 12.829 -30.661 -9.322 1.00 60.30 H new ATOM 0 HG13 VAL A 173 13.220 -31.471 -7.786 1.00 60.30 H new ATOM 0 HG21 VAL A 173 10.310 -31.571 -6.761 1.00 52.12 H new ATOM 0 HG22 VAL A 173 11.690 -31.062 -5.759 1.00 52.12 H new ATOM 0 HG23 VAL A 173 10.289 -29.983 -5.957 1.00 52.12 H new ATOM 1411 N ILE A 174 14.742 -29.624 -7.012 1.00 53.34 N ATOM 1412 CA ILE A 174 15.919 -30.096 -6.294 1.00 61.21 C ATOM 1413 C ILE A 174 16.329 -29.111 -5.203 1.00 61.34 C ATOM 1414 O ILE A 174 17.019 -29.477 -4.252 1.00 73.44 O ATOM 1415 CB ILE A 174 17.109 -30.316 -7.246 1.00 31.14 C ATOM 1416 CG1 ILE A 174 17.556 -28.986 -7.855 1.00 21.44 C ATOM 1417 CG2 ILE A 174 16.738 -31.308 -8.337 1.00 1.52 C ATOM 1418 CD1 ILE A 174 18.779 -29.107 -8.738 1.00 43.50 C ATOM 0 H ILE A 174 14.882 -29.500 -8.015 1.00 53.34 H new ATOM 0 HA ILE A 174 15.649 -31.048 -5.838 1.00 61.21 H new ATOM 0 HB ILE A 174 17.941 -30.729 -6.675 1.00 31.14 H new ATOM 0 HG12 ILE A 174 16.736 -28.569 -8.439 1.00 21.44 H new ATOM 0 HG13 ILE A 174 17.766 -28.280 -7.052 1.00 21.44 H new ATOM 0 HG21 ILE A 174 17.589 -31.453 -9.002 1.00 1.52 H new ATOM 0 HG22 ILE A 174 16.465 -32.261 -7.884 1.00 1.52 H new ATOM 0 HG23 ILE A 174 15.894 -30.922 -8.908 1.00 1.52 H new ATOM 0 HD11 ILE A 174 19.039 -28.126 -9.136 1.00 43.50 H new ATOM 0 HD12 ILE A 174 19.613 -29.494 -8.153 1.00 43.50 H new ATOM 0 HD13 ILE A 174 18.567 -29.788 -9.562 1.00 43.50 H new ATOM 1430 N GLU A 175 15.898 -27.862 -5.349 1.00 41.14 N ATOM 1431 CA GLU A 175 16.221 -26.826 -4.377 1.00 41.22 C ATOM 1432 C GLU A 175 15.377 -26.982 -3.115 1.00 41.13 C ATOM 1433 O GLU A 175 15.902 -27.008 -2.003 1.00 64.54 O ATOM 1434 CB GLU A 175 15.999 -25.439 -4.983 1.00 45.13 C ATOM 1435 CG GLU A 175 16.806 -25.191 -6.246 1.00 52.34 C ATOM 1436 CD GLU A 175 18.293 -25.068 -5.974 1.00 64.43 C ATOM 1437 OE1 GLU A 175 18.725 -23.986 -5.524 1.00 72.13 O ATOM 1438 OE2 GLU A 175 19.023 -26.053 -6.210 1.00 13.32 O1- ATOM 0 H GLU A 175 15.325 -27.544 -6.131 1.00 41.14 H new ATOM 0 HA GLU A 175 17.272 -26.933 -4.107 1.00 41.22 H new ATOM 0 HB2 GLU A 175 14.940 -25.316 -5.209 1.00 45.13 H new ATOM 0 HB3 GLU A 175 16.258 -24.682 -4.242 1.00 45.13 H new ATOM 0 HG2 GLU A 175 16.635 -26.007 -6.948 1.00 52.34 H new ATOM 0 HG3 GLU A 175 16.452 -24.279 -6.726 1.00 52.34 H new ATOM 1445 N SER A 176 14.064 -27.085 -3.298 1.00 33.30 N ATOM 1446 CA SER A 176 13.145 -27.234 -2.175 1.00 74.04 C ATOM 1447 C SER A 176 13.580 -28.380 -1.266 1.00 63.41 C ATOM 1448 O SER A 176 13.887 -28.172 -0.093 1.00 54.23 O ATOM 1449 CB SER A 176 11.723 -27.482 -2.682 1.00 15.31 C ATOM 1450 OG SER A 176 11.671 -28.627 -3.514 1.00 72.12 O ATOM 0 H SER A 176 13.613 -27.068 -4.213 1.00 33.30 H new ATOM 0 HA SER A 176 13.161 -26.309 -1.598 1.00 74.04 H new ATOM 0 HB2 SER A 176 11.049 -27.613 -1.835 1.00 15.31 H new ATOM 0 HB3 SER A 176 11.374 -26.610 -3.235 1.00 15.31 H new ATOM 0 HG SER A 176 12.303 -28.521 -4.256 1.00 72.12 H new ATOM 1456 N GLU A 177 13.602 -29.589 -1.818 1.00 54.35 N ATOM 1457 CA GLU A 177 13.998 -30.767 -1.057 1.00 44.40 C ATOM 1458 C GLU A 177 15.321 -30.530 -0.335 1.00 62.41 C ATOM 1459 O GLU A 177 15.421 -30.715 0.878 1.00 45.33 O ATOM 1460 CB GLU A 177 14.120 -31.981 -1.980 1.00 54.14 C ATOM 1461 CG GLU A 177 14.940 -31.715 -3.230 1.00 45.50 C ATOM 1462 CD GLU A 177 14.746 -32.780 -4.293 1.00 30.24 C ATOM 1463 OE1 GLU A 177 13.706 -32.746 -4.984 1.00 54.53 O1- ATOM 1464 OE2 GLU A 177 15.635 -33.644 -4.434 1.00 1.22 O ATOM 0 H GLU A 177 13.350 -29.778 -2.788 1.00 54.35 H new ATOM 0 HA GLU A 177 13.227 -30.961 -0.312 1.00 44.40 H new ATOM 0 HB2 GLU A 177 14.573 -32.803 -1.427 1.00 54.14 H new ATOM 0 HB3 GLU A 177 13.122 -32.306 -2.273 1.00 54.14 H new ATOM 0 HG2 GLU A 177 14.665 -30.743 -3.640 1.00 45.50 H new ATOM 0 HG3 GLU A 177 15.995 -31.661 -2.963 1.00 45.50 H new ATOM 1471 N ASN A 178 16.335 -30.119 -1.090 1.00 31.53 N ATOM 1472 CA ASN A 178 17.653 -29.857 -0.522 1.00 54.34 C ATOM 1473 C ASN A 178 18.171 -31.075 0.236 1.00 61.14 C ATOM 1474 O ASN A 178 18.931 -30.944 1.196 1.00 23.32 O ATOM 1475 CB ASN A 178 17.598 -28.646 0.411 1.00 24.22 C ATOM 1476 CG ASN A 178 18.936 -27.942 0.525 1.00 53.15 C ATOM 1477 OD1 ASN A 178 19.704 -27.886 -0.436 1.00 22.43 O ATOM 1478 ND2 ASN A 178 19.222 -27.402 1.704 1.00 41.11 N ATOM 0 H ASN A 178 16.270 -29.960 -2.095 1.00 31.53 H new ATOM 0 HA ASN A 178 18.339 -29.644 -1.342 1.00 54.34 H new ATOM 0 HB2 ASN A 178 16.851 -27.942 0.045 1.00 24.22 H new ATOM 0 HB3 ASN A 178 17.275 -28.968 1.401 1.00 24.22 H new ATOM 0 HD21 ASN A 178 20.108 -26.916 1.841 1.00 41.11 H new ATOM 0 HD22 ASN A 178 18.555 -27.473 2.473 1.00 41.11 H new ATOM 1485 N SER A 179 17.755 -32.259 -0.203 1.00 21.43 N ATOM 1486 CA SER A 179 18.174 -33.501 0.437 1.00 15.51 C ATOM 1487 C SER A 179 19.693 -33.553 0.580 1.00 64.24 C ATOM 1488 O SER A 179 20.214 -33.915 1.633 1.00 71.22 O ATOM 1489 CB SER A 179 17.686 -34.705 -0.369 1.00 21.23 C ATOM 1490 OG SER A 179 18.477 -34.898 -1.530 1.00 74.50 O ATOM 0 H SER A 179 17.129 -32.384 -0.998 1.00 21.43 H new ATOM 0 HA SER A 179 17.731 -33.535 1.432 1.00 15.51 H new ATOM 0 HB2 SER A 179 17.722 -35.600 0.252 1.00 21.23 H new ATOM 0 HB3 SER A 179 16.645 -34.557 -0.655 1.00 21.23 H new ATOM 0 HG SER A 179 18.145 -35.675 -2.027 1.00 74.50 H new