USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 685 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0398) USER MOD Single : A 4 THR OG1 : rot 170:sc= 0 USER MOD Single : A 6 THR OG1 : rot -96:sc= 0.744 USER MOD Single : A 8 THR OG1 : rot 38:sc= 0.395 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= -0.463 K(o=-0.46,f=-2.3) USER MOD Single : A 12 LYS NZ :NH3+ 172:sc= 2.12 (180deg=2.04) USER MOD Single : A 21 LYS NZ :NH3+ 141:sc= -0.418 (180deg=-2.24!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.103 F(o=-1.8,f=-0.1) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0983 USER MOD Single : A 36 THR OG1 : rot 180:sc=0.000776 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 169:sc= -2.94! (180deg=-3.42!) USER MOD Single : A 53 LYS NZ :NH3+ 168:sc=-0.00161 (180deg=-0.12) USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0243) USER MOD Single : A 55 THR OG1 : rot -77:sc= -0.606 USER MOD Single : A 58 GLN : amide:sc= -0.405 X(o=-0.4,f=-0.21) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 61 LYS NZ :NH3+ 176:sc= 1.09 (180deg=1.07) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.145 X(o=-0.14,f=-0.55) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HE2:sc= -1.07 K(o=-1.1,f=-5.3!) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.012 -3.668 1.349 1.00 24.13 N ATOM 2 CA MET A 1 -18.092 -3.854 2.495 1.00 73.52 C ATOM 3 C MET A 1 -16.944 -4.802 2.115 1.00 63.41 C ATOM 4 O MET A 1 -15.778 -4.392 2.078 1.00 71.41 O ATOM 5 CB MET A 1 -18.864 -4.388 3.733 1.00 50.01 C ATOM 6 CG MET A 1 -19.909 -3.414 4.286 1.00 35.43 C ATOM 7 SD MET A 1 -19.159 -1.858 4.817 1.00 44.53 S ATOM 8 CE MET A 1 -20.586 -0.921 5.365 1.00 13.14 C ATOM 0 H1 MET A 1 -19.723 -2.948 1.588 1.00 24.13 H new ATOM 0 H2 MET A 1 -18.471 -3.358 0.517 1.00 24.13 H new ATOM 0 H3 MET A 1 -19.488 -4.568 1.137 1.00 24.13 H new ATOM 0 HA MET A 1 -17.662 -2.886 2.755 1.00 73.52 H new ATOM 0 HB2 MET A 1 -19.359 -5.321 3.464 1.00 50.01 H new ATOM 0 HB3 MET A 1 -18.148 -4.622 4.521 1.00 50.01 H new ATOM 0 HG2 MET A 1 -20.660 -3.214 3.522 1.00 35.43 H new ATOM 0 HG3 MET A 1 -20.426 -3.875 5.128 1.00 35.43 H new ATOM 0 HE1 MET A 1 -20.264 0.059 5.718 1.00 13.14 H new ATOM 0 HE2 MET A 1 -21.281 -0.798 4.534 1.00 13.14 H new ATOM 0 HE3 MET A 1 -21.081 -1.454 6.177 1.00 13.14 H new ATOM 20 N GLY A 2 -17.288 -6.068 1.794 1.00 21.43 N ATOM 21 CA GLY A 2 -16.298 -7.116 1.507 1.00 33.21 C ATOM 22 C GLY A 2 -15.864 -7.175 0.044 1.00 2.12 C ATOM 23 O GLY A 2 -15.607 -8.261 -0.489 1.00 15.23 O ATOM 0 H GLY A 2 -18.255 -6.386 1.728 1.00 21.43 H new ATOM 0 HA2 GLY A 2 -15.419 -6.952 2.130 1.00 33.21 H new ATOM 0 HA3 GLY A 2 -16.714 -8.083 1.791 1.00 33.21 H new ATOM 27 N LEU A 3 -15.774 -6.000 -0.607 1.00 75.24 N ATOM 28 CA LEU A 3 -15.275 -5.858 -1.984 1.00 72.14 C ATOM 29 C LEU A 3 -13.905 -5.159 -1.946 1.00 62.34 C ATOM 30 O LEU A 3 -13.818 -3.946 -1.709 1.00 53.41 O ATOM 31 CB LEU A 3 -16.306 -5.078 -2.863 1.00 52.21 C ATOM 32 CG LEU A 3 -17.652 -5.824 -3.166 1.00 3.14 C ATOM 33 CD1 LEU A 3 -18.630 -4.939 -3.983 1.00 62.53 C ATOM 34 CD2 LEU A 3 -17.398 -7.184 -3.863 1.00 1.15 C ATOM 0 H LEU A 3 -16.050 -5.113 -0.185 1.00 75.24 H new ATOM 0 HA LEU A 3 -15.151 -6.840 -2.440 1.00 72.14 H new ATOM 0 HB2 LEU A 3 -16.539 -4.136 -2.366 1.00 52.21 H new ATOM 0 HB3 LEU A 3 -15.830 -4.828 -3.811 1.00 52.21 H new ATOM 0 HG LEU A 3 -18.131 -6.030 -2.209 1.00 3.14 H new ATOM 0 HD11 LEU A 3 -19.550 -5.492 -4.172 1.00 62.53 H new ATOM 0 HD12 LEU A 3 -18.860 -4.035 -3.419 1.00 62.53 H new ATOM 0 HD13 LEU A 3 -18.168 -4.667 -4.932 1.00 62.53 H new ATOM 0 HD21 LEU A 3 -18.351 -7.676 -4.059 1.00 1.15 H new ATOM 0 HD22 LEU A 3 -16.875 -7.018 -4.805 1.00 1.15 H new ATOM 0 HD23 LEU A 3 -16.790 -7.816 -3.216 1.00 1.15 H new ATOM 46 N THR A 4 -12.838 -5.960 -2.124 1.00 53.44 N ATOM 47 CA THR A 4 -11.443 -5.501 -2.119 1.00 3.32 C ATOM 48 C THR A 4 -11.142 -4.722 -3.423 1.00 72.04 C ATOM 49 O THR A 4 -10.767 -5.299 -4.448 1.00 54.43 O ATOM 50 CB THR A 4 -10.475 -6.726 -1.941 1.00 44.32 C ATOM 51 OG1 THR A 4 -10.904 -7.490 -0.801 1.00 11.35 O ATOM 52 CG2 THR A 4 -9.001 -6.315 -1.737 1.00 1.32 C ATOM 0 H THR A 4 -12.927 -6.964 -2.278 1.00 53.44 H new ATOM 0 HA THR A 4 -11.283 -4.825 -1.279 1.00 3.32 H new ATOM 0 HB THR A 4 -10.521 -7.309 -2.861 1.00 44.32 H new ATOM 0 HG1 THR A 4 -10.414 -8.338 -0.772 1.00 11.35 H new ATOM 0 HG21 THR A 4 -8.387 -7.208 -1.621 1.00 1.32 H new ATOM 0 HG22 THR A 4 -8.658 -5.749 -2.603 1.00 1.32 H new ATOM 0 HG23 THR A 4 -8.916 -5.697 -0.843 1.00 1.32 H new ATOM 60 N ARG A 5 -11.408 -3.411 -3.366 1.00 35.31 N ATOM 61 CA ARG A 5 -11.217 -2.470 -4.490 1.00 40.15 C ATOM 62 C ARG A 5 -9.729 -2.129 -4.701 1.00 43.43 C ATOM 63 O ARG A 5 -8.913 -2.313 -3.793 1.00 74.44 O ATOM 64 CB ARG A 5 -12.019 -1.178 -4.217 1.00 11.21 C ATOM 65 CG ARG A 5 -11.642 -0.473 -2.892 1.00 44.21 C ATOM 66 CD ARG A 5 -12.251 0.925 -2.753 1.00 70.31 C ATOM 67 NE ARG A 5 -11.750 1.850 -3.783 1.00 71.05 N ATOM 68 CZ ARG A 5 -11.915 3.177 -3.777 1.00 24.35 C ATOM 69 NH1 ARG A 5 -12.576 3.802 -2.795 1.00 13.44 N ATOM 70 NH2 ARG A 5 -11.405 3.896 -4.773 1.00 62.43 N ATOM 0 H ARG A 5 -11.769 -2.961 -2.525 1.00 35.31 H new ATOM 0 HA ARG A 5 -11.578 -2.949 -5.400 1.00 40.15 H new ATOM 0 HB2 ARG A 5 -11.863 -0.484 -5.043 1.00 11.21 H new ATOM 0 HB3 ARG A 5 -13.082 -1.419 -4.199 1.00 11.21 H new ATOM 0 HG2 ARG A 5 -11.970 -1.089 -2.055 1.00 44.21 H new ATOM 0 HG3 ARG A 5 -10.557 -0.397 -2.825 1.00 44.21 H new ATOM 0 HD2 ARG A 5 -13.336 0.856 -2.825 1.00 70.31 H new ATOM 0 HD3 ARG A 5 -12.021 1.324 -1.765 1.00 70.31 H new ATOM 0 HE ARG A 5 -11.235 1.446 -4.565 1.00 71.05 H new ATOM 0 HH11 ARG A 5 -12.970 3.264 -2.023 1.00 13.44 H new ATOM 0 HH12 ARG A 5 -12.685 4.816 -2.819 1.00 13.44 H new ATOM 0 HH21 ARG A 5 -10.897 3.434 -5.527 1.00 62.43 H new ATOM 0 HH22 ARG A 5 -11.522 4.909 -4.783 1.00 62.43 H new ATOM 84 N THR A 6 -9.408 -1.560 -5.880 1.00 24.13 N ATOM 85 CA THR A 6 -8.023 -1.262 -6.289 1.00 42.03 C ATOM 86 C THR A 6 -7.858 0.255 -6.517 1.00 3.03 C ATOM 87 O THR A 6 -8.530 0.835 -7.377 1.00 11.41 O ATOM 88 CB THR A 6 -7.636 -2.046 -7.588 1.00 23.13 C ATOM 89 OG1 THR A 6 -8.014 -3.428 -7.450 1.00 75.14 O ATOM 90 CG2 THR A 6 -6.126 -1.959 -7.893 1.00 61.51 C ATOM 0 H THR A 6 -10.104 -1.294 -6.576 1.00 24.13 H new ATOM 0 HA THR A 6 -7.355 -1.582 -5.490 1.00 42.03 H new ATOM 0 HB THR A 6 -8.171 -1.586 -8.419 1.00 23.13 H new ATOM 0 HG1 THR A 6 -7.241 -3.950 -7.151 1.00 75.14 H new ATOM 0 HG21 THR A 6 -5.906 -2.518 -8.803 1.00 61.51 H new ATOM 0 HG22 THR A 6 -5.842 -0.916 -8.030 1.00 61.51 H new ATOM 0 HG23 THR A 6 -5.562 -2.382 -7.062 1.00 61.51 H new ATOM 98 N ILE A 7 -6.971 0.883 -5.725 1.00 34.33 N ATOM 99 CA ILE A 7 -6.686 2.326 -5.797 1.00 63.01 C ATOM 100 C ILE A 7 -5.311 2.539 -6.465 1.00 14.15 C ATOM 101 O ILE A 7 -4.279 2.175 -5.896 1.00 64.32 O ATOM 102 CB ILE A 7 -6.708 2.977 -4.359 1.00 53.45 C ATOM 103 CG1 ILE A 7 -8.071 2.690 -3.644 1.00 51.12 C ATOM 104 CG2 ILE A 7 -6.417 4.501 -4.418 1.00 52.32 C ATOM 105 CD1 ILE A 7 -8.192 3.246 -2.237 1.00 54.14 C ATOM 0 H ILE A 7 -6.427 0.398 -5.011 1.00 34.33 H new ATOM 0 HA ILE A 7 -7.459 2.812 -6.393 1.00 63.01 H new ATOM 0 HB ILE A 7 -5.912 2.518 -3.773 1.00 53.45 H new ATOM 0 HG12 ILE A 7 -8.876 3.104 -4.251 1.00 51.12 H new ATOM 0 HG13 ILE A 7 -8.223 1.611 -3.606 1.00 51.12 H new ATOM 0 HG21 ILE A 7 -6.440 4.915 -3.410 1.00 52.32 H new ATOM 0 HG22 ILE A 7 -5.433 4.667 -4.856 1.00 52.32 H new ATOM 0 HG23 ILE A 7 -7.174 4.992 -5.030 1.00 52.32 H new ATOM 0 HD11 ILE A 7 -9.171 2.994 -1.829 1.00 54.14 H new ATOM 0 HD12 ILE A 7 -7.414 2.814 -1.607 1.00 54.14 H new ATOM 0 HD13 ILE A 7 -8.078 4.330 -2.263 1.00 54.14 H new ATOM 117 N THR A 8 -5.319 3.125 -7.674 1.00 60.40 N ATOM 118 CA THR A 8 -4.107 3.378 -8.466 1.00 44.52 C ATOM 119 C THR A 8 -3.708 4.856 -8.307 1.00 13.45 C ATOM 120 O THR A 8 -4.431 5.750 -8.767 1.00 31.50 O ATOM 121 CB THR A 8 -4.337 3.029 -9.976 1.00 23.33 C ATOM 122 OG1 THR A 8 -5.495 3.728 -10.473 1.00 44.13 O ATOM 123 CG2 THR A 8 -4.523 1.517 -10.195 1.00 71.11 C ATOM 0 H THR A 8 -6.175 3.439 -8.132 1.00 60.40 H new ATOM 0 HA THR A 8 -3.302 2.739 -8.103 1.00 44.52 H new ATOM 0 HB THR A 8 -3.447 3.343 -10.521 1.00 23.33 H new ATOM 0 HG1 THR A 8 -5.532 4.624 -10.077 1.00 44.13 H new ATOM 0 HG21 THR A 8 -4.680 1.320 -11.255 1.00 71.11 H new ATOM 0 HG22 THR A 8 -3.633 0.988 -9.855 1.00 71.11 H new ATOM 0 HG23 THR A 8 -5.389 1.171 -9.630 1.00 71.11 H new ATOM 131 N SER A 9 -2.597 5.122 -7.598 1.00 32.02 N ATOM 132 CA SER A 9 -2.134 6.500 -7.323 1.00 73.43 C ATOM 133 C SER A 9 -0.620 6.634 -7.522 1.00 70.35 C ATOM 134 O SER A 9 0.142 5.731 -7.176 1.00 12.54 O ATOM 135 CB SER A 9 -2.524 6.906 -5.893 1.00 74.20 C ATOM 136 OG SER A 9 -3.916 6.731 -5.680 1.00 62.00 O ATOM 0 H SER A 9 -1.998 4.398 -7.202 1.00 32.02 H new ATOM 0 HA SER A 9 -2.620 7.169 -8.033 1.00 73.43 H new ATOM 0 HB2 SER A 9 -1.964 6.307 -5.175 1.00 74.20 H new ATOM 0 HB3 SER A 9 -2.253 7.948 -5.720 1.00 74.20 H new ATOM 0 HG SER A 9 -4.142 6.994 -4.763 1.00 62.00 H new ATOM 142 N GLN A 10 -0.216 7.802 -8.036 1.00 0.24 N ATOM 143 CA GLN A 10 1.190 8.157 -8.305 1.00 70.44 C ATOM 144 C GLN A 10 1.921 8.592 -7.015 1.00 12.13 C ATOM 145 O GLN A 10 3.149 8.729 -7.004 1.00 1.31 O ATOM 146 CB GLN A 10 1.214 9.289 -9.372 1.00 63.10 C ATOM 147 CG GLN A 10 0.531 8.914 -10.706 1.00 73.32 C ATOM 148 CD GLN A 10 0.453 10.073 -11.709 1.00 21.11 C ATOM 149 OE1 GLN A 10 -0.528 10.818 -11.736 1.00 20.14 O ATOM 150 NE2 GLN A 10 1.484 10.243 -12.526 1.00 3.21 N ATOM 0 H GLN A 10 -0.869 8.546 -8.283 1.00 0.24 H new ATOM 0 HA GLN A 10 1.719 7.282 -8.682 1.00 70.44 H new ATOM 0 HB2 GLN A 10 0.724 10.171 -8.961 1.00 63.10 H new ATOM 0 HB3 GLN A 10 2.250 9.564 -9.571 1.00 63.10 H new ATOM 0 HG2 GLN A 10 1.075 8.087 -11.162 1.00 73.32 H new ATOM 0 HG3 GLN A 10 -0.478 8.556 -10.499 1.00 73.32 H new ATOM 0 HE21 GLN A 10 2.282 9.609 -12.479 1.00 3.21 H new ATOM 0 HE22 GLN A 10 1.479 11.008 -13.201 1.00 3.21 H new ATOM 159 N ASN A 11 1.151 8.797 -5.933 1.00 60.22 N ATOM 160 CA ASN A 11 1.668 9.199 -4.611 1.00 42.32 C ATOM 161 C ASN A 11 1.403 8.081 -3.575 1.00 11.00 C ATOM 162 O ASN A 11 0.248 7.706 -3.338 1.00 35.44 O ATOM 163 CB ASN A 11 1.015 10.535 -4.175 1.00 50.40 C ATOM 164 CG ASN A 11 1.437 11.023 -2.780 1.00 3.25 C ATOM 165 OD1 ASN A 11 2.552 10.761 -2.324 1.00 22.42 O ATOM 166 ND2 ASN A 11 0.556 11.742 -2.094 1.00 2.42 N ATOM 0 H ASN A 11 0.137 8.687 -5.951 1.00 60.22 H new ATOM 0 HA ASN A 11 2.746 9.351 -4.674 1.00 42.32 H new ATOM 0 HB2 ASN A 11 1.265 11.303 -4.906 1.00 50.40 H new ATOM 0 HB3 ASN A 11 -0.069 10.419 -4.193 1.00 50.40 H new ATOM 0 HD21 ASN A 11 0.795 12.092 -1.166 1.00 2.42 H new ATOM 0 HD22 ASN A 11 -0.360 11.944 -2.495 1.00 2.42 H new ATOM 173 N LYS A 12 2.489 7.552 -2.971 1.00 11.41 N ATOM 174 CA LYS A 12 2.414 6.485 -1.949 1.00 0.51 C ATOM 175 C LYS A 12 1.900 7.016 -0.597 1.00 2.14 C ATOM 176 O LYS A 12 1.328 6.249 0.177 1.00 13.53 O ATOM 177 CB LYS A 12 3.791 5.748 -1.828 1.00 50.42 C ATOM 178 CG LYS A 12 5.015 6.612 -1.405 1.00 33.02 C ATOM 179 CD LYS A 12 5.235 6.671 0.129 1.00 54.32 C ATOM 180 CE LYS A 12 6.403 7.590 0.527 1.00 5.54 C ATOM 181 NZ LYS A 12 6.620 7.610 2.001 1.00 20.31 N ATOM 0 H LYS A 12 3.442 7.852 -3.178 1.00 11.41 H new ATOM 0 HA LYS A 12 1.678 5.750 -2.275 1.00 0.51 H new ATOM 0 HB2 LYS A 12 3.681 4.939 -1.106 1.00 50.42 H new ATOM 0 HB3 LYS A 12 4.016 5.288 -2.790 1.00 50.42 H new ATOM 0 HG2 LYS A 12 5.912 6.211 -1.877 1.00 33.02 H new ATOM 0 HG3 LYS A 12 4.882 7.625 -1.783 1.00 33.02 H new ATOM 0 HD2 LYS A 12 4.322 7.022 0.610 1.00 54.32 H new ATOM 0 HD3 LYS A 12 5.426 5.665 0.503 1.00 54.32 H new ATOM 0 HE2 LYS A 12 7.314 7.254 0.031 1.00 5.54 H new ATOM 0 HE3 LYS A 12 6.204 8.603 0.176 1.00 5.54 H new ATOM 0 HZ1 LYS A 12 7.495 8.130 2.216 1.00 20.31 H new ATOM 0 HZ2 LYS A 12 5.816 8.079 2.464 1.00 20.31 H new ATOM 0 HZ3 LYS A 12 6.701 6.635 2.353 1.00 20.31 H new ATOM 195 N GLU A 13 2.056 8.336 -0.343 1.00 72.33 N ATOM 196 CA GLU A 13 1.613 8.975 0.915 1.00 75.44 C ATOM 197 C GLU A 13 0.088 8.895 1.071 1.00 45.04 C ATOM 198 O GLU A 13 -0.412 8.390 2.087 1.00 62.32 O ATOM 199 CB GLU A 13 2.082 10.452 0.965 1.00 22.04 C ATOM 200 CG GLU A 13 3.598 10.640 1.137 1.00 41.12 C ATOM 201 CD GLU A 13 4.107 10.231 2.529 1.00 4.10 C ATOM 202 OE1 GLU A 13 4.275 9.020 2.791 1.00 11.14 O ATOM 203 OE2 GLU A 13 4.367 11.119 3.366 1.00 74.51 O ATOM 0 H GLU A 13 2.490 8.983 -1.001 1.00 72.33 H new ATOM 0 HA GLU A 13 2.066 8.433 1.745 1.00 75.44 H new ATOM 0 HB2 GLU A 13 1.770 10.949 0.046 1.00 22.04 H new ATOM 0 HB3 GLU A 13 1.572 10.953 1.788 1.00 22.04 H new ATOM 0 HG2 GLU A 13 4.118 10.053 0.380 1.00 41.12 H new ATOM 0 HG3 GLU A 13 3.850 11.685 0.958 1.00 41.12 H new ATOM 210 N GLU A 14 -0.645 9.361 0.041 1.00 23.23 N ATOM 211 CA GLU A 14 -2.115 9.321 0.054 1.00 21.35 C ATOM 212 C GLU A 14 -2.611 7.866 0.054 1.00 54.43 C ATOM 213 O GLU A 14 -3.633 7.572 0.649 1.00 54.34 O ATOM 214 CB GLU A 14 -2.722 10.135 -1.117 1.00 72.12 C ATOM 215 CG GLU A 14 -2.358 9.642 -2.526 1.00 2.11 C ATOM 216 CD GLU A 14 -2.912 10.555 -3.631 1.00 63.45 C ATOM 217 OE1 GLU A 14 -4.086 10.394 -4.017 1.00 62.00 O ATOM 218 OE2 GLU A 14 -2.176 11.435 -4.122 1.00 12.30 O ATOM 0 H GLU A 14 -0.243 9.767 -0.804 1.00 23.23 H new ATOM 0 HA GLU A 14 -2.458 9.795 0.974 1.00 21.35 H new ATOM 0 HB2 GLU A 14 -3.807 10.127 -1.018 1.00 72.12 H new ATOM 0 HB3 GLU A 14 -2.401 11.172 -1.020 1.00 72.12 H new ATOM 0 HG2 GLU A 14 -1.273 9.583 -2.618 1.00 2.11 H new ATOM 0 HG3 GLU A 14 -2.745 8.633 -2.665 1.00 2.11 H new ATOM 225 N LEU A 15 -1.828 6.949 -0.553 1.00 12.22 N ATOM 226 CA LEU A 15 -2.122 5.507 -0.503 1.00 64.44 C ATOM 227 C LEU A 15 -2.044 4.973 0.950 1.00 10.20 C ATOM 228 O LEU A 15 -2.805 4.085 1.303 1.00 41.44 O ATOM 229 CB LEU A 15 -1.178 4.712 -1.457 1.00 45.43 C ATOM 230 CG LEU A 15 -1.476 4.878 -2.981 1.00 33.21 C ATOM 231 CD1 LEU A 15 -0.430 4.154 -3.859 1.00 43.42 C ATOM 232 CD2 LEU A 15 -2.905 4.400 -3.307 1.00 62.30 C ATOM 0 H LEU A 15 -0.989 7.185 -1.082 1.00 12.22 H new ATOM 0 HA LEU A 15 -3.144 5.358 -0.852 1.00 64.44 H new ATOM 0 HB2 LEU A 15 -0.151 5.024 -1.268 1.00 45.43 H new ATOM 0 HB3 LEU A 15 -1.241 3.654 -1.204 1.00 45.43 H new ATOM 0 HG LEU A 15 -1.405 5.940 -3.217 1.00 33.21 H new ATOM 0 HD11 LEU A 15 -0.677 4.296 -4.911 1.00 43.42 H new ATOM 0 HD12 LEU A 15 0.560 4.565 -3.660 1.00 43.42 H new ATOM 0 HD13 LEU A 15 -0.434 3.089 -3.626 1.00 43.42 H new ATOM 0 HD21 LEU A 15 -3.095 4.523 -4.373 1.00 62.30 H new ATOM 0 HD22 LEU A 15 -3.007 3.348 -3.039 1.00 62.30 H new ATOM 0 HD23 LEU A 15 -3.624 4.990 -2.740 1.00 62.30 H new ATOM 244 N LEU A 16 -1.144 5.554 1.782 1.00 2.34 N ATOM 245 CA LEU A 16 -0.971 5.160 3.210 1.00 10.35 C ATOM 246 C LEU A 16 -2.150 5.655 4.068 1.00 24.55 C ATOM 247 O LEU A 16 -2.667 4.920 4.919 1.00 73.15 O ATOM 248 CB LEU A 16 0.357 5.731 3.787 1.00 61.13 C ATOM 249 CG LEU A 16 1.673 5.179 3.170 1.00 0.50 C ATOM 250 CD1 LEU A 16 2.894 5.974 3.679 1.00 14.15 C ATOM 251 CD2 LEU A 16 1.825 3.663 3.435 1.00 35.50 C ATOM 0 H LEU A 16 -0.519 6.305 1.488 1.00 2.34 H new ATOM 0 HA LEU A 16 -0.939 4.071 3.244 1.00 10.35 H new ATOM 0 HB2 LEU A 16 0.348 6.813 3.659 1.00 61.13 H new ATOM 0 HB3 LEU A 16 0.375 5.537 4.859 1.00 61.13 H new ATOM 0 HG LEU A 16 1.621 5.312 2.089 1.00 0.50 H new ATOM 0 HD11 LEU A 16 3.803 5.569 3.234 1.00 14.15 H new ATOM 0 HD12 LEU A 16 2.788 7.022 3.399 1.00 14.15 H new ATOM 0 HD13 LEU A 16 2.954 5.893 4.764 1.00 14.15 H new ATOM 0 HD21 LEU A 16 2.755 3.307 2.991 1.00 35.50 H new ATOM 0 HD22 LEU A 16 1.843 3.482 4.510 1.00 35.50 H new ATOM 0 HD23 LEU A 16 0.984 3.130 2.991 1.00 35.50 H new ATOM 263 N GLU A 17 -2.548 6.911 3.832 1.00 43.05 N ATOM 264 CA GLU A 17 -3.614 7.584 4.602 1.00 3.42 C ATOM 265 C GLU A 17 -5.001 6.991 4.276 1.00 74.14 C ATOM 266 O GLU A 17 -5.773 6.659 5.186 1.00 53.03 O ATOM 267 CB GLU A 17 -3.582 9.094 4.300 1.00 52.13 C ATOM 268 CG GLU A 17 -2.224 9.764 4.590 1.00 0.42 C ATOM 269 CD GLU A 17 -2.184 11.235 4.166 1.00 44.34 C ATOM 270 OE1 GLU A 17 -2.308 11.508 2.955 1.00 22.10 O ATOM 271 OE2 GLU A 17 -2.014 12.125 5.029 1.00 14.24 O ATOM 0 H GLU A 17 -2.142 7.495 3.101 1.00 43.05 H new ATOM 0 HA GLU A 17 -3.435 7.423 5.665 1.00 3.42 H new ATOM 0 HB2 GLU A 17 -3.835 9.250 3.251 1.00 52.13 H new ATOM 0 HB3 GLU A 17 -4.353 9.589 4.891 1.00 52.13 H new ATOM 0 HG2 GLU A 17 -2.009 9.692 5.656 1.00 0.42 H new ATOM 0 HG3 GLU A 17 -1.437 9.219 4.069 1.00 0.42 H new ATOM 278 N ILE A 18 -5.289 6.849 2.968 1.00 10.25 N ATOM 279 CA ILE A 18 -6.544 6.251 2.469 1.00 53.02 C ATOM 280 C ILE A 18 -6.595 4.754 2.845 1.00 4.10 C ATOM 281 O ILE A 18 -7.671 4.224 3.133 1.00 63.31 O ATOM 282 CB ILE A 18 -6.691 6.452 0.907 1.00 44.12 C ATOM 283 CG1 ILE A 18 -6.661 7.981 0.544 1.00 3.32 C ATOM 284 CG2 ILE A 18 -7.971 5.776 0.356 1.00 63.13 C ATOM 285 CD1 ILE A 18 -6.643 8.289 -0.945 1.00 0.12 C ATOM 0 H ILE A 18 -4.657 7.146 2.225 1.00 10.25 H new ATOM 0 HA ILE A 18 -7.385 6.759 2.941 1.00 53.02 H new ATOM 0 HB ILE A 18 -5.841 5.965 0.430 1.00 44.12 H new ATOM 0 HG12 ILE A 18 -7.533 8.461 0.988 1.00 3.32 H new ATOM 0 HG13 ILE A 18 -5.781 8.431 1.003 1.00 3.32 H new ATOM 0 HG21 ILE A 18 -8.034 5.938 -0.720 1.00 63.13 H new ATOM 0 HG22 ILE A 18 -7.934 4.706 0.560 1.00 63.13 H new ATOM 0 HG23 ILE A 18 -8.847 6.208 0.839 1.00 63.13 H new ATOM 0 HD11 ILE A 18 -6.623 9.369 -1.093 1.00 0.12 H new ATOM 0 HD12 ILE A 18 -5.757 7.844 -1.398 1.00 0.12 H new ATOM 0 HD13 ILE A 18 -7.536 7.875 -1.413 1.00 0.12 H new ATOM 297 N ALA A 19 -5.413 4.089 2.874 1.00 22.23 N ATOM 298 CA ALA A 19 -5.286 2.723 3.421 1.00 71.03 C ATOM 299 C ALA A 19 -5.801 2.660 4.860 1.00 33.21 C ATOM 300 O ALA A 19 -6.739 1.917 5.143 1.00 44.11 O ATOM 301 CB ALA A 19 -3.844 2.231 3.375 1.00 51.00 C ATOM 0 H ALA A 19 -4.538 4.480 2.525 1.00 22.23 H new ATOM 0 HA ALA A 19 -5.894 2.071 2.793 1.00 71.03 H new ATOM 0 HB1 ALA A 19 -3.790 1.223 3.786 1.00 51.00 H new ATOM 0 HB2 ALA A 19 -3.496 2.221 2.342 1.00 51.00 H new ATOM 0 HB3 ALA A 19 -3.213 2.897 3.964 1.00 51.00 H new ATOM 307 N LEU A 20 -5.222 3.526 5.721 1.00 11.13 N ATOM 308 CA LEU A 20 -5.518 3.585 7.167 1.00 61.20 C ATOM 309 C LEU A 20 -7.032 3.791 7.439 1.00 25.24 C ATOM 310 O LEU A 20 -7.543 3.328 8.457 1.00 0.42 O ATOM 311 CB LEU A 20 -4.684 4.718 7.836 1.00 52.11 C ATOM 312 CG LEU A 20 -4.785 4.825 9.398 1.00 32.02 C ATOM 313 CD1 LEU A 20 -4.268 3.545 10.096 1.00 70.54 C ATOM 314 CD2 LEU A 20 -4.079 6.098 9.935 1.00 43.32 C ATOM 0 H LEU A 20 -4.527 4.212 5.426 1.00 11.13 H new ATOM 0 HA LEU A 20 -5.238 2.627 7.604 1.00 61.20 H new ATOM 0 HB2 LEU A 20 -3.637 4.575 7.570 1.00 52.11 H new ATOM 0 HB3 LEU A 20 -4.995 5.671 7.407 1.00 52.11 H new ATOM 0 HG LEU A 20 -5.843 4.918 9.644 1.00 32.02 H new ATOM 0 HD11 LEU A 20 -4.355 3.659 11.176 1.00 70.54 H new ATOM 0 HD12 LEU A 20 -4.861 2.689 9.773 1.00 70.54 H new ATOM 0 HD13 LEU A 20 -3.223 3.383 9.831 1.00 70.54 H new ATOM 0 HD21 LEU A 20 -4.172 6.135 11.020 1.00 43.32 H new ATOM 0 HD22 LEU A 20 -3.024 6.072 9.661 1.00 43.32 H new ATOM 0 HD23 LEU A 20 -4.545 6.983 9.501 1.00 43.32 H new ATOM 326 N LYS A 21 -7.731 4.462 6.492 1.00 2.11 N ATOM 327 CA LYS A 21 -9.208 4.609 6.514 1.00 25.30 C ATOM 328 C LYS A 21 -9.898 3.223 6.487 1.00 31.41 C ATOM 329 O LYS A 21 -10.695 2.901 7.371 1.00 53.00 O ATOM 330 CB LYS A 21 -9.693 5.471 5.309 1.00 31.53 C ATOM 331 CG LYS A 21 -11.237 5.604 5.174 1.00 42.23 C ATOM 332 CD LYS A 21 -11.701 6.402 3.919 1.00 41.11 C ATOM 333 CE LYS A 21 -11.502 7.932 4.026 1.00 32.45 C ATOM 334 NZ LYS A 21 -10.076 8.343 3.938 1.00 44.41 N ATOM 0 H LYS A 21 -7.289 4.916 5.693 1.00 2.11 H new ATOM 0 HA LYS A 21 -9.482 5.116 7.439 1.00 25.30 H new ATOM 0 HB2 LYS A 21 -9.264 6.469 5.400 1.00 31.53 H new ATOM 0 HB3 LYS A 21 -9.299 5.037 4.390 1.00 31.53 H new ATOM 0 HG2 LYS A 21 -11.675 4.606 5.139 1.00 42.23 H new ATOM 0 HG3 LYS A 21 -11.628 6.092 6.067 1.00 42.23 H new ATOM 0 HD2 LYS A 21 -11.155 6.037 3.049 1.00 41.11 H new ATOM 0 HD3 LYS A 21 -12.757 6.197 3.743 1.00 41.11 H new ATOM 0 HE2 LYS A 21 -12.065 8.422 3.231 1.00 32.45 H new ATOM 0 HE3 LYS A 21 -11.917 8.281 4.972 1.00 32.45 H new ATOM 0 HZ1 LYS A 21 -10.001 9.218 3.381 1.00 44.41 H new ATOM 0 HZ2 LYS A 21 -9.703 8.508 4.895 1.00 44.41 H new ATOM 0 HZ3 LYS A 21 -9.526 7.591 3.476 1.00 44.41 H new ATOM 348 N PHE A 22 -9.532 2.394 5.487 1.00 53.31 N ATOM 349 CA PHE A 22 -10.154 1.064 5.269 1.00 33.23 C ATOM 350 C PHE A 22 -9.727 0.069 6.355 1.00 60.02 C ATOM 351 O PHE A 22 -10.546 -0.727 6.823 1.00 71.15 O ATOM 352 CB PHE A 22 -9.807 0.504 3.862 1.00 61.15 C ATOM 353 CG PHE A 22 -10.513 1.229 2.708 1.00 40.13 C ATOM 354 CD1 PHE A 22 -10.054 2.461 2.247 1.00 10.54 C ATOM 355 CD2 PHE A 22 -11.642 0.679 2.088 1.00 22.25 C ATOM 356 CE1 PHE A 22 -10.690 3.123 1.213 1.00 12.43 C ATOM 357 CE2 PHE A 22 -12.278 1.343 1.052 1.00 70.14 C ATOM 358 CZ PHE A 22 -11.800 2.562 0.614 1.00 13.22 C ATOM 0 H PHE A 22 -8.803 2.622 4.811 1.00 53.31 H new ATOM 0 HA PHE A 22 -11.234 1.197 5.328 1.00 33.23 H new ATOM 0 HB2 PHE A 22 -8.729 0.569 3.713 1.00 61.15 H new ATOM 0 HB3 PHE A 22 -10.070 -0.553 3.828 1.00 61.15 H new ATOM 0 HD1 PHE A 22 -9.185 2.908 2.706 1.00 10.54 H new ATOM 0 HD2 PHE A 22 -12.022 -0.275 2.422 1.00 22.25 H new ATOM 0 HE1 PHE A 22 -10.318 4.079 0.874 1.00 12.43 H new ATOM 0 HE2 PHE A 22 -13.149 0.907 0.586 1.00 70.14 H new ATOM 0 HZ PHE A 22 -12.294 3.076 -0.197 1.00 13.22 H new ATOM 368 N ILE A 23 -8.461 0.166 6.787 1.00 63.44 N ATOM 369 CA ILE A 23 -7.890 -0.738 7.794 1.00 1.11 C ATOM 370 C ILE A 23 -8.558 -0.474 9.168 1.00 43.33 C ATOM 371 O ILE A 23 -8.855 -1.413 9.908 1.00 42.11 O ATOM 372 CB ILE A 23 -6.315 -0.585 7.887 1.00 64.54 C ATOM 373 CG1 ILE A 23 -5.640 -0.713 6.473 1.00 43.23 C ATOM 374 CG2 ILE A 23 -5.699 -1.603 8.873 1.00 24.42 C ATOM 375 CD1 ILE A 23 -5.903 -2.005 5.710 1.00 15.54 C ATOM 0 H ILE A 23 -7.807 0.871 6.449 1.00 63.44 H new ATOM 0 HA ILE A 23 -8.093 -1.766 7.492 1.00 1.11 H new ATOM 0 HB ILE A 23 -6.117 0.416 8.270 1.00 64.54 H new ATOM 0 HG12 ILE A 23 -5.976 0.121 5.857 1.00 43.23 H new ATOM 0 HG13 ILE A 23 -4.563 -0.603 6.598 1.00 43.23 H new ATOM 0 HG21 ILE A 23 -4.618 -1.466 8.909 1.00 24.42 H new ATOM 0 HG22 ILE A 23 -6.118 -1.446 9.867 1.00 24.42 H new ATOM 0 HG23 ILE A 23 -5.926 -2.616 8.539 1.00 24.42 H new ATOM 0 HD11 ILE A 23 -5.385 -1.973 4.752 1.00 15.54 H new ATOM 0 HD12 ILE A 23 -5.539 -2.852 6.292 1.00 15.54 H new ATOM 0 HD13 ILE A 23 -6.974 -2.116 5.540 1.00 15.54 H new ATOM 387 N SER A 24 -8.835 0.822 9.460 1.00 33.04 N ATOM 388 CA SER A 24 -9.572 1.252 10.674 1.00 52.11 C ATOM 389 C SER A 24 -11.012 0.690 10.707 1.00 24.35 C ATOM 390 O SER A 24 -11.568 0.451 11.782 1.00 74.14 O ATOM 391 CB SER A 24 -9.617 2.797 10.741 1.00 70.12 C ATOM 392 OG SER A 24 -10.249 3.269 11.932 1.00 63.53 O ATOM 0 H SER A 24 -8.553 1.597 8.860 1.00 33.04 H new ATOM 0 HA SER A 24 -9.040 0.856 11.539 1.00 52.11 H new ATOM 0 HB2 SER A 24 -8.602 3.191 10.690 1.00 70.12 H new ATOM 0 HB3 SER A 24 -10.151 3.181 9.872 1.00 70.12 H new ATOM 0 HG SER A 24 -10.254 4.249 11.933 1.00 63.53 H new ATOM 398 N GLN A 25 -11.610 0.516 9.517 1.00 54.11 N ATOM 399 CA GLN A 25 -12.979 -0.018 9.366 1.00 32.43 C ATOM 400 C GLN A 25 -12.990 -1.563 9.424 1.00 63.43 C ATOM 401 O GLN A 25 -14.063 -2.170 9.535 1.00 40.33 O ATOM 402 CB GLN A 25 -13.589 0.474 8.028 1.00 65.22 C ATOM 403 CG GLN A 25 -13.726 2.006 7.892 1.00 33.14 C ATOM 404 CD GLN A 25 -14.168 2.451 6.493 1.00 3.21 C ATOM 405 OE1 GLN A 25 -13.212 2.670 5.607 1.00 21.21 O flip ATOM 406 NE2 GLN A 25 -15.358 2.580 6.209 1.00 13.23 N flip ATOM 0 H GLN A 25 -11.160 0.741 8.630 1.00 54.11 H new ATOM 0 HA GLN A 25 -13.583 0.350 10.196 1.00 32.43 H new ATOM 0 HB2 GLN A 25 -12.971 0.106 7.209 1.00 65.22 H new ATOM 0 HB3 GLN A 25 -14.575 0.025 7.910 1.00 65.22 H new ATOM 0 HG2 GLN A 25 -14.447 2.366 8.626 1.00 33.14 H new ATOM 0 HG3 GLN A 25 -12.770 2.472 8.129 1.00 33.14 H new ATOM 0 HE21 GLN A 25 -16.073 2.404 6.915 1.00 13.23 H new ATOM 0 HE22 GLN A 25 -15.630 2.863 5.268 1.00 13.23 H new ATOM 415 N GLY A 26 -11.788 -2.188 9.353 1.00 43.41 N ATOM 416 CA GLY A 26 -11.659 -3.653 9.315 1.00 44.15 C ATOM 417 C GLY A 26 -11.915 -4.234 7.926 1.00 60.43 C ATOM 418 O GLY A 26 -12.275 -5.408 7.786 1.00 31.21 O ATOM 0 H GLY A 26 -10.897 -1.692 9.321 1.00 43.41 H new ATOM 0 HA2 GLY A 26 -10.658 -3.934 9.642 1.00 44.15 H new ATOM 0 HA3 GLY A 26 -12.361 -4.093 10.023 1.00 44.15 H new ATOM 422 N LEU A 27 -11.732 -3.383 6.905 1.00 2.51 N ATOM 423 CA LEU A 27 -11.960 -3.718 5.486 1.00 32.04 C ATOM 424 C LEU A 27 -10.648 -4.098 4.796 1.00 72.23 C ATOM 425 O LEU A 27 -9.584 -3.534 5.102 1.00 25.41 O ATOM 426 CB LEU A 27 -12.588 -2.508 4.734 1.00 22.32 C ATOM 427 CG LEU A 27 -13.974 -2.013 5.244 1.00 5.12 C ATOM 428 CD1 LEU A 27 -14.420 -0.733 4.498 1.00 42.15 C ATOM 429 CD2 LEU A 27 -15.038 -3.129 5.155 1.00 51.24 C ATOM 0 H LEU A 27 -11.415 -2.423 7.042 1.00 2.51 H new ATOM 0 HA LEU A 27 -12.643 -4.567 5.455 1.00 32.04 H new ATOM 0 HB2 LEU A 27 -11.888 -1.674 4.786 1.00 22.32 H new ATOM 0 HB3 LEU A 27 -12.688 -2.775 3.682 1.00 22.32 H new ATOM 0 HG LEU A 27 -13.868 -1.754 6.297 1.00 5.12 H new ATOM 0 HD11 LEU A 27 -15.391 -0.411 4.875 1.00 42.15 H new ATOM 0 HD12 LEU A 27 -13.687 0.057 4.661 1.00 42.15 H new ATOM 0 HD13 LEU A 27 -14.497 -0.942 3.431 1.00 42.15 H new ATOM 0 HD21 LEU A 27 -15.993 -2.751 5.519 1.00 51.24 H new ATOM 0 HD22 LEU A 27 -15.145 -3.448 4.118 1.00 51.24 H new ATOM 0 HD23 LEU A 27 -14.728 -3.977 5.765 1.00 51.24 H new ATOM 441 N ASP A 28 -10.747 -5.042 3.852 1.00 53.34 N ATOM 442 CA ASP A 28 -9.650 -5.403 2.953 1.00 13.52 C ATOM 443 C ASP A 28 -9.592 -4.382 1.808 1.00 12.42 C ATOM 444 O ASP A 28 -10.628 -4.007 1.233 1.00 63.40 O ATOM 445 CB ASP A 28 -9.838 -6.839 2.394 1.00 72.21 C ATOM 446 CG ASP A 28 -9.717 -7.931 3.469 1.00 11.41 C ATOM 447 OD1 ASP A 28 -10.661 -8.103 4.266 1.00 55.41 O ATOM 448 OD2 ASP A 28 -8.683 -8.633 3.509 1.00 53.22 O ATOM 0 H ASP A 28 -11.599 -5.580 3.691 1.00 53.34 H new ATOM 0 HA ASP A 28 -8.711 -5.388 3.507 1.00 13.52 H new ATOM 0 HB2 ASP A 28 -10.817 -6.912 1.921 1.00 72.21 H new ATOM 0 HB3 ASP A 28 -9.095 -7.019 1.618 1.00 72.21 H new ATOM 453 N LEU A 29 -8.379 -3.962 1.475 1.00 41.22 N ATOM 454 CA LEU A 29 -8.120 -2.955 0.444 1.00 21.45 C ATOM 455 C LEU A 29 -7.016 -3.484 -0.474 1.00 30.31 C ATOM 456 O LEU A 29 -6.277 -4.387 -0.104 1.00 72.15 O ATOM 457 CB LEU A 29 -7.704 -1.595 1.089 1.00 51.31 C ATOM 458 CG LEU A 29 -7.502 -0.400 0.096 1.00 43.12 C ATOM 459 CD1 LEU A 29 -8.782 -0.106 -0.712 1.00 0.13 C ATOM 460 CD2 LEU A 29 -7.001 0.860 0.823 1.00 72.20 C ATOM 0 H LEU A 29 -7.531 -4.315 1.918 1.00 41.22 H new ATOM 0 HA LEU A 29 -9.026 -2.773 -0.134 1.00 21.45 H new ATOM 0 HB2 LEU A 29 -8.465 -1.313 1.817 1.00 51.31 H new ATOM 0 HB3 LEU A 29 -6.776 -1.745 1.640 1.00 51.31 H new ATOM 0 HG LEU A 29 -6.731 -0.701 -0.613 1.00 43.12 H new ATOM 0 HD11 LEU A 29 -8.601 0.729 -1.389 1.00 0.13 H new ATOM 0 HD12 LEU A 29 -9.058 -0.988 -1.290 1.00 0.13 H new ATOM 0 HD13 LEU A 29 -9.593 0.149 -0.029 1.00 0.13 H new ATOM 0 HD21 LEU A 29 -6.872 1.668 0.103 1.00 72.20 H new ATOM 0 HD22 LEU A 29 -7.729 1.158 1.577 1.00 72.20 H new ATOM 0 HD23 LEU A 29 -6.046 0.647 1.304 1.00 72.20 H new ATOM 472 N GLU A 30 -6.943 -2.958 -1.687 1.00 5.30 N ATOM 473 CA GLU A 30 -5.867 -3.265 -2.626 1.00 4.24 C ATOM 474 C GLU A 30 -5.403 -1.936 -3.233 1.00 24.01 C ATOM 475 O GLU A 30 -6.201 -1.193 -3.792 1.00 22.44 O ATOM 476 CB GLU A 30 -6.410 -4.254 -3.689 1.00 4.54 C ATOM 477 CG GLU A 30 -5.343 -4.949 -4.547 1.00 51.41 C ATOM 478 CD GLU A 30 -5.961 -5.973 -5.514 1.00 14.31 C ATOM 479 OE1 GLU A 30 -6.353 -5.575 -6.626 1.00 15.13 O ATOM 480 OE2 GLU A 30 -6.084 -7.162 -5.152 1.00 32.53 O ATOM 0 H GLU A 30 -7.632 -2.301 -2.053 1.00 5.30 H new ATOM 0 HA GLU A 30 -5.012 -3.744 -2.148 1.00 4.24 H new ATOM 0 HB2 GLU A 30 -6.999 -5.018 -3.182 1.00 4.54 H new ATOM 0 HB3 GLU A 30 -7.089 -3.714 -4.350 1.00 4.54 H new ATOM 0 HG2 GLU A 30 -4.790 -4.201 -5.115 1.00 51.41 H new ATOM 0 HG3 GLU A 30 -4.625 -5.450 -3.898 1.00 51.41 H new ATOM 487 N VAL A 31 -4.129 -1.601 -3.054 1.00 34.33 N ATOM 488 CA VAL A 31 -3.547 -0.339 -3.542 1.00 21.23 C ATOM 489 C VAL A 31 -2.412 -0.650 -4.521 1.00 75.23 C ATOM 490 O VAL A 31 -1.446 -1.336 -4.178 1.00 34.43 O ATOM 491 CB VAL A 31 -3.042 0.581 -2.359 1.00 21.24 C ATOM 492 CG1 VAL A 31 -4.220 1.309 -1.674 1.00 41.15 C ATOM 493 CG2 VAL A 31 -2.233 -0.230 -1.326 1.00 34.32 C ATOM 0 H VAL A 31 -3.461 -2.196 -2.564 1.00 34.33 H new ATOM 0 HA VAL A 31 -4.327 0.221 -4.057 1.00 21.23 H new ATOM 0 HB VAL A 31 -2.383 1.334 -2.791 1.00 21.24 H new ATOM 0 HG11 VAL A 31 -3.841 1.934 -0.865 1.00 41.15 H new ATOM 0 HG12 VAL A 31 -4.735 1.934 -2.404 1.00 41.15 H new ATOM 0 HG13 VAL A 31 -4.916 0.574 -1.269 1.00 41.15 H new ATOM 0 HG21 VAL A 31 -1.900 0.430 -0.525 1.00 34.32 H new ATOM 0 HG22 VAL A 31 -2.861 -1.018 -0.909 1.00 34.32 H new ATOM 0 HG23 VAL A 31 -1.366 -0.677 -1.812 1.00 34.32 H new ATOM 503 N GLU A 32 -2.561 -0.159 -5.756 1.00 72.23 N ATOM 504 CA GLU A 32 -1.552 -0.299 -6.807 1.00 34.34 C ATOM 505 C GLU A 32 -0.840 1.038 -6.994 1.00 31.54 C ATOM 506 O GLU A 32 -1.468 2.052 -7.317 1.00 34.34 O ATOM 507 CB GLU A 32 -2.193 -0.766 -8.137 1.00 12.25 C ATOM 508 CG GLU A 32 -1.177 -1.003 -9.285 1.00 42.25 C ATOM 509 CD GLU A 32 -1.812 -1.613 -10.543 1.00 72.53 C ATOM 510 OE1 GLU A 32 -2.268 -0.851 -11.424 1.00 33.24 O ATOM 511 OE2 GLU A 32 -1.866 -2.861 -10.650 1.00 2.44 O ATOM 0 H GLU A 32 -3.393 0.351 -6.055 1.00 72.23 H new ATOM 0 HA GLU A 32 -0.830 -1.059 -6.508 1.00 34.34 H new ATOM 0 HB2 GLU A 32 -2.743 -1.690 -7.957 1.00 12.25 H new ATOM 0 HB3 GLU A 32 -2.920 -0.020 -8.459 1.00 12.25 H new ATOM 0 HG2 GLU A 32 -0.708 -0.055 -9.547 1.00 42.25 H new ATOM 0 HG3 GLU A 32 -0.386 -1.663 -8.930 1.00 42.25 H new ATOM 518 N PHE A 33 0.469 1.035 -6.759 1.00 62.32 N ATOM 519 CA PHE A 33 1.296 2.225 -6.870 1.00 4.03 C ATOM 520 C PHE A 33 1.629 2.479 -8.347 1.00 34.32 C ATOM 521 O PHE A 33 2.384 1.719 -8.977 1.00 32.13 O ATOM 522 CB PHE A 33 2.570 2.057 -6.013 1.00 60.04 C ATOM 523 CG PHE A 33 3.426 3.305 -5.895 1.00 13.43 C ATOM 524 CD1 PHE A 33 2.851 4.545 -5.606 1.00 33.53 C ATOM 525 CD2 PHE A 33 4.800 3.242 -6.063 1.00 4.54 C ATOM 526 CE1 PHE A 33 3.631 5.674 -5.492 1.00 53.23 C ATOM 527 CE2 PHE A 33 5.572 4.369 -5.946 1.00 5.53 C ATOM 528 CZ PHE A 33 4.991 5.586 -5.665 1.00 21.32 C ATOM 0 H PHE A 33 0.986 0.200 -6.485 1.00 62.32 H new ATOM 0 HA PHE A 33 0.757 3.094 -6.493 1.00 4.03 H new ATOM 0 HB2 PHE A 33 2.279 1.737 -5.013 1.00 60.04 H new ATOM 0 HB3 PHE A 33 3.175 1.257 -6.440 1.00 60.04 H new ATOM 0 HD1 PHE A 33 1.782 4.619 -5.470 1.00 33.53 H new ATOM 0 HD2 PHE A 33 5.268 2.295 -6.289 1.00 4.54 H new ATOM 0 HE1 PHE A 33 3.175 6.627 -5.267 1.00 53.23 H new ATOM 0 HE2 PHE A 33 6.642 4.302 -6.075 1.00 5.53 H new ATOM 0 HZ PHE A 33 5.605 6.471 -5.581 1.00 21.32 H new ATOM 538 N ASP A 34 1.035 3.547 -8.888 1.00 24.01 N ATOM 539 CA ASP A 34 1.174 3.940 -10.290 1.00 13.24 C ATOM 540 C ASP A 34 2.445 4.795 -10.458 1.00 45.01 C ATOM 541 O ASP A 34 2.389 6.030 -10.453 1.00 35.33 O ATOM 542 CB ASP A 34 -0.103 4.695 -10.750 1.00 60.34 C ATOM 543 CG ASP A 34 -0.133 5.005 -12.261 1.00 10.12 C ATOM 544 OD1 ASP A 34 -0.498 4.114 -13.055 1.00 44.32 O ATOM 545 OD2 ASP A 34 0.200 6.143 -12.661 1.00 41.44 O ATOM 0 H ASP A 34 0.433 4.173 -8.352 1.00 24.01 H new ATOM 0 HA ASP A 34 1.280 3.058 -10.922 1.00 13.24 H new ATOM 0 HB2 ASP A 34 -0.979 4.099 -10.494 1.00 60.34 H new ATOM 0 HB3 ASP A 34 -0.181 5.630 -10.195 1.00 60.34 H new ATOM 550 N SER A 35 3.600 4.117 -10.528 1.00 75.42 N ATOM 551 CA SER A 35 4.905 4.765 -10.738 1.00 4.12 C ATOM 552 C SER A 35 5.922 3.771 -11.327 1.00 41.12 C ATOM 553 O SER A 35 5.907 2.577 -11.002 1.00 4.20 O ATOM 554 CB SER A 35 5.434 5.361 -9.414 1.00 23.05 C ATOM 555 OG SER A 35 6.657 6.063 -9.598 1.00 43.34 O ATOM 0 H SER A 35 3.657 3.102 -10.441 1.00 75.42 H new ATOM 0 HA SER A 35 4.770 5.577 -11.453 1.00 4.12 H new ATOM 0 HB2 SER A 35 4.687 6.036 -8.996 1.00 23.05 H new ATOM 0 HB3 SER A 35 5.581 4.561 -8.689 1.00 23.05 H new ATOM 0 HG SER A 35 6.958 6.426 -8.739 1.00 43.34 H new ATOM 561 N THR A 36 6.795 4.296 -12.204 1.00 4.11 N ATOM 562 CA THR A 36 7.902 3.552 -12.826 1.00 64.34 C ATOM 563 C THR A 36 9.236 3.816 -12.094 1.00 44.30 C ATOM 564 O THR A 36 10.291 3.324 -12.515 1.00 64.24 O ATOM 565 CB THR A 36 8.031 3.956 -14.334 1.00 45.42 C ATOM 566 OG1 THR A 36 8.126 5.393 -14.452 1.00 23.44 O ATOM 567 CG2 THR A 36 6.836 3.468 -15.173 1.00 21.01 C ATOM 0 H THR A 36 6.749 5.269 -12.506 1.00 4.11 H new ATOM 0 HA THR A 36 7.681 2.487 -12.751 1.00 64.34 H new ATOM 0 HB THR A 36 8.933 3.479 -14.716 1.00 45.42 H new ATOM 0 HG1 THR A 36 8.208 5.639 -15.397 1.00 23.44 H new ATOM 0 HG21 THR A 36 6.972 3.772 -16.211 1.00 21.01 H new ATOM 0 HG22 THR A 36 6.773 2.381 -15.119 1.00 21.01 H new ATOM 0 HG23 THR A 36 5.916 3.904 -14.784 1.00 21.01 H new ATOM 575 N ASP A 37 9.182 4.594 -10.995 1.00 64.33 N ATOM 576 CA ASP A 37 10.367 4.965 -10.199 1.00 61.25 C ATOM 577 C ASP A 37 10.579 3.916 -9.086 1.00 30.51 C ATOM 578 O ASP A 37 9.777 3.836 -8.149 1.00 51.34 O ATOM 579 CB ASP A 37 10.193 6.389 -9.597 1.00 11.44 C ATOM 580 CG ASP A 37 11.469 6.935 -8.911 1.00 63.25 C ATOM 581 OD1 ASP A 37 11.852 6.426 -7.839 1.00 61.53 O ATOM 582 OD2 ASP A 37 12.095 7.881 -9.438 1.00 1.04 O ATOM 0 H ASP A 37 8.311 4.984 -10.634 1.00 64.33 H new ATOM 0 HA ASP A 37 11.247 4.983 -10.842 1.00 61.25 H new ATOM 0 HB2 ASP A 37 9.896 7.075 -10.390 1.00 11.44 H new ATOM 0 HB3 ASP A 37 9.381 6.370 -8.871 1.00 11.44 H new ATOM 587 N ASP A 38 11.670 3.140 -9.208 1.00 4.44 N ATOM 588 CA ASP A 38 12.015 2.026 -8.291 1.00 13.41 C ATOM 589 C ASP A 38 12.138 2.458 -6.812 1.00 3.33 C ATOM 590 O ASP A 38 11.644 1.765 -5.924 1.00 5.31 O ATOM 591 CB ASP A 38 13.342 1.363 -8.728 1.00 13.00 C ATOM 592 CG ASP A 38 13.332 0.931 -10.194 1.00 71.42 C ATOM 593 OD1 ASP A 38 12.804 -0.158 -10.497 1.00 52.41 O ATOM 594 OD2 ASP A 38 13.838 1.684 -11.054 1.00 52.42 O ATOM 0 H ASP A 38 12.351 3.267 -9.957 1.00 4.44 H new ATOM 0 HA ASP A 38 11.187 1.320 -8.357 1.00 13.41 H new ATOM 0 HB2 ASP A 38 14.163 2.061 -8.565 1.00 13.00 H new ATOM 0 HB3 ASP A 38 13.533 0.494 -8.099 1.00 13.00 H new ATOM 599 N LYS A 39 12.784 3.610 -6.578 1.00 64.22 N ATOM 600 CA LYS A 39 13.024 4.149 -5.223 1.00 34.01 C ATOM 601 C LYS A 39 11.695 4.477 -4.518 1.00 33.43 C ATOM 602 O LYS A 39 11.521 4.164 -3.339 1.00 40.22 O ATOM 603 CB LYS A 39 13.903 5.416 -5.306 1.00 41.02 C ATOM 604 CG LYS A 39 15.351 5.187 -5.803 1.00 62.33 C ATOM 605 CD LYS A 39 16.114 6.529 -5.991 1.00 63.54 C ATOM 606 CE LYS A 39 16.148 7.384 -4.707 1.00 24.24 C ATOM 607 NZ LYS A 39 16.828 8.689 -4.923 1.00 63.22 N ATOM 0 H LYS A 39 13.157 4.199 -7.323 1.00 64.22 H new ATOM 0 HA LYS A 39 13.543 3.388 -4.640 1.00 34.01 H new ATOM 0 HB2 LYS A 39 13.418 6.132 -5.970 1.00 41.02 H new ATOM 0 HB3 LYS A 39 13.944 5.875 -4.318 1.00 41.02 H new ATOM 0 HG2 LYS A 39 15.886 4.561 -5.089 1.00 62.33 H new ATOM 0 HG3 LYS A 39 15.330 4.645 -6.748 1.00 62.33 H new ATOM 0 HD2 LYS A 39 17.135 6.319 -6.309 1.00 63.54 H new ATOM 0 HD3 LYS A 39 15.642 7.101 -6.790 1.00 63.54 H new ATOM 0 HE2 LYS A 39 15.129 7.559 -4.361 1.00 24.24 H new ATOM 0 HE3 LYS A 39 16.662 6.834 -3.919 1.00 24.24 H new ATOM 0 HZ1 LYS A 39 16.828 9.231 -4.036 1.00 63.22 H new ATOM 0 HZ2 LYS A 39 17.808 8.523 -5.228 1.00 63.22 H new ATOM 0 HZ3 LYS A 39 16.323 9.226 -5.657 1.00 63.22 H new ATOM 621 N GLU A 40 10.763 5.070 -5.287 1.00 5.15 N ATOM 622 CA GLU A 40 9.405 5.387 -4.822 1.00 23.33 C ATOM 623 C GLU A 40 8.626 4.103 -4.464 1.00 62.22 C ATOM 624 O GLU A 40 7.855 4.077 -3.494 1.00 2.32 O ATOM 625 CB GLU A 40 8.645 6.160 -5.924 1.00 1.22 C ATOM 626 CG GLU A 40 9.138 7.588 -6.191 1.00 73.23 C ATOM 627 CD GLU A 40 8.893 8.552 -5.024 1.00 13.15 C ATOM 628 OE1 GLU A 40 7.757 8.598 -4.518 1.00 34.53 O ATOM 629 OE2 GLU A 40 9.825 9.277 -4.611 1.00 33.25 O ATOM 0 H GLU A 40 10.935 5.343 -6.255 1.00 5.15 H new ATOM 0 HA GLU A 40 9.486 6.002 -3.926 1.00 23.33 H new ATOM 0 HB2 GLU A 40 8.711 5.592 -6.852 1.00 1.22 H new ATOM 0 HB3 GLU A 40 7.591 6.204 -5.651 1.00 1.22 H new ATOM 0 HG2 GLU A 40 10.206 7.560 -6.409 1.00 73.23 H new ATOM 0 HG3 GLU A 40 8.641 7.974 -7.081 1.00 73.23 H new ATOM 636 N ILE A 41 8.821 3.060 -5.294 1.00 52.20 N ATOM 637 CA ILE A 41 8.212 1.731 -5.108 1.00 15.42 C ATOM 638 C ILE A 41 8.717 1.065 -3.806 1.00 24.35 C ATOM 639 O ILE A 41 7.928 0.483 -3.060 1.00 23.11 O ATOM 640 CB ILE A 41 8.502 0.820 -6.369 1.00 34.41 C ATOM 641 CG1 ILE A 41 7.763 1.378 -7.640 1.00 75.53 C ATOM 642 CG2 ILE A 41 8.141 -0.657 -6.112 1.00 70.14 C ATOM 643 CD1 ILE A 41 8.095 0.664 -8.947 1.00 14.14 C ATOM 0 H ILE A 41 9.413 3.119 -6.122 1.00 52.20 H new ATOM 0 HA ILE A 41 7.133 1.853 -5.013 1.00 15.42 H new ATOM 0 HB ILE A 41 9.575 0.853 -6.557 1.00 34.41 H new ATOM 0 HG12 ILE A 41 6.688 1.315 -7.473 1.00 75.53 H new ATOM 0 HG13 ILE A 41 8.008 2.435 -7.749 1.00 75.53 H new ATOM 0 HG21 ILE A 41 8.356 -1.245 -7.004 1.00 70.14 H new ATOM 0 HG22 ILE A 41 8.730 -1.036 -5.277 1.00 70.14 H new ATOM 0 HG23 ILE A 41 7.080 -0.736 -5.873 1.00 70.14 H new ATOM 0 HD11 ILE A 41 7.536 1.121 -9.764 1.00 14.14 H new ATOM 0 HD12 ILE A 41 9.163 0.748 -9.146 1.00 14.14 H new ATOM 0 HD13 ILE A 41 7.823 -0.388 -8.866 1.00 14.14 H new ATOM 655 N GLU A 42 10.030 1.200 -3.528 1.00 5.42 N ATOM 656 CA GLU A 42 10.666 0.636 -2.320 1.00 61.53 C ATOM 657 C GLU A 42 10.163 1.353 -1.061 1.00 72.15 C ATOM 658 O GLU A 42 9.995 0.716 -0.016 1.00 34.34 O ATOM 659 CB GLU A 42 12.206 0.721 -2.422 1.00 30.21 C ATOM 660 CG GLU A 42 12.798 -0.086 -3.596 1.00 2.30 C ATOM 661 CD GLU A 42 14.308 0.120 -3.781 1.00 22.20 C ATOM 662 OE1 GLU A 42 14.762 1.285 -3.780 1.00 50.21 O ATOM 663 OE2 GLU A 42 15.052 -0.878 -3.934 1.00 5.54 O ATOM 0 H GLU A 42 10.678 1.703 -4.134 1.00 5.42 H new ATOM 0 HA GLU A 42 10.389 -0.416 -2.247 1.00 61.53 H new ATOM 0 HB2 GLU A 42 12.497 1.766 -2.529 1.00 30.21 H new ATOM 0 HB3 GLU A 42 12.643 0.362 -1.490 1.00 30.21 H new ATOM 0 HG2 GLU A 42 12.601 -1.146 -3.434 1.00 2.30 H new ATOM 0 HG3 GLU A 42 12.285 0.196 -4.516 1.00 2.30 H new ATOM 670 N GLU A 43 9.911 2.680 -1.186 1.00 72.11 N ATOM 671 CA GLU A 43 9.247 3.466 -0.131 1.00 55.24 C ATOM 672 C GLU A 43 7.866 2.871 0.170 1.00 73.20 C ATOM 673 O GLU A 43 7.544 2.596 1.316 1.00 3.12 O ATOM 674 CB GLU A 43 9.083 4.951 -0.539 1.00 61.34 C ATOM 675 CG GLU A 43 10.391 5.731 -0.725 1.00 25.41 C ATOM 676 CD GLU A 43 11.233 5.847 0.557 1.00 61.20 C ATOM 677 OE1 GLU A 43 10.842 6.597 1.478 1.00 73.14 O ATOM 678 OE2 GLU A 43 12.291 5.195 0.652 1.00 22.31 O ATOM 0 H GLU A 43 10.161 3.224 -2.012 1.00 72.11 H new ATOM 0 HA GLU A 43 9.877 3.423 0.757 1.00 55.24 H new ATOM 0 HB2 GLU A 43 8.519 4.994 -1.471 1.00 61.34 H new ATOM 0 HB3 GLU A 43 8.484 5.455 0.220 1.00 61.34 H new ATOM 0 HG2 GLU A 43 10.987 5.244 -1.497 1.00 25.41 H new ATOM 0 HG3 GLU A 43 10.158 6.732 -1.087 1.00 25.41 H new ATOM 685 N PHE A 44 7.099 2.610 -0.904 1.00 44.25 N ATOM 686 CA PHE A 44 5.723 2.088 -0.823 1.00 1.53 C ATOM 687 C PHE A 44 5.698 0.690 -0.164 1.00 13.41 C ATOM 688 O PHE A 44 4.781 0.386 0.603 1.00 41.55 O ATOM 689 CB PHE A 44 5.110 2.059 -2.251 1.00 1.21 C ATOM 690 CG PHE A 44 3.684 1.508 -2.366 1.00 3.33 C ATOM 691 CD1 PHE A 44 2.590 2.213 -1.855 1.00 11.44 C ATOM 692 CD2 PHE A 44 3.430 0.289 -3.003 1.00 45.14 C ATOM 693 CE1 PHE A 44 1.304 1.717 -1.984 1.00 14.40 C ATOM 694 CE2 PHE A 44 2.142 -0.201 -3.128 1.00 23.45 C ATOM 695 CZ PHE A 44 1.083 0.510 -2.616 1.00 63.12 C ATOM 0 H PHE A 44 7.420 2.757 -1.861 1.00 44.25 H new ATOM 0 HA PHE A 44 5.121 2.743 -0.193 1.00 1.53 H new ATOM 0 HB2 PHE A 44 5.118 3.074 -2.647 1.00 1.21 H new ATOM 0 HB3 PHE A 44 5.760 1.462 -2.891 1.00 1.21 H new ATOM 0 HD1 PHE A 44 2.750 3.156 -1.354 1.00 11.44 H new ATOM 0 HD2 PHE A 44 4.255 -0.281 -3.405 1.00 45.14 H new ATOM 0 HE1 PHE A 44 0.470 2.277 -1.588 1.00 14.40 H new ATOM 0 HE2 PHE A 44 1.969 -1.142 -3.628 1.00 23.45 H new ATOM 0 HZ PHE A 44 0.078 0.124 -2.708 1.00 63.12 H new ATOM 705 N GLU A 45 6.728 -0.132 -0.459 1.00 64.34 N ATOM 706 CA GLU A 45 6.900 -1.467 0.150 1.00 13.34 C ATOM 707 C GLU A 45 7.056 -1.365 1.671 1.00 35.22 C ATOM 708 O GLU A 45 6.187 -1.828 2.416 1.00 31.51 O ATOM 709 CB GLU A 45 8.129 -2.197 -0.460 1.00 12.31 C ATOM 710 CG GLU A 45 7.971 -2.532 -1.946 1.00 23.10 C ATOM 711 CD GLU A 45 9.125 -3.346 -2.540 1.00 73.35 C ATOM 712 OE1 GLU A 45 9.171 -4.572 -2.307 1.00 31.32 O ATOM 713 OE2 GLU A 45 9.988 -2.772 -3.235 1.00 50.24 O ATOM 0 H GLU A 45 7.462 0.111 -1.125 1.00 64.34 H new ATOM 0 HA GLU A 45 6.002 -2.046 -0.067 1.00 13.34 H new ATOM 0 HB2 GLU A 45 9.013 -1.573 -0.329 1.00 12.31 H new ATOM 0 HB3 GLU A 45 8.305 -3.119 0.094 1.00 12.31 H new ATOM 0 HG2 GLU A 45 7.043 -3.087 -2.084 1.00 23.10 H new ATOM 0 HG3 GLU A 45 7.873 -1.602 -2.507 1.00 23.10 H new ATOM 720 N ARG A 46 8.139 -0.697 2.105 1.00 34.24 N ATOM 721 CA ARG A 46 8.515 -0.617 3.527 1.00 12.31 C ATOM 722 C ARG A 46 7.450 0.125 4.358 1.00 41.11 C ATOM 723 O ARG A 46 7.147 -0.298 5.463 1.00 73.43 O ATOM 724 CB ARG A 46 9.925 0.019 3.690 1.00 51.15 C ATOM 725 CG ARG A 46 10.086 1.414 3.056 1.00 21.31 C ATOM 726 CD ARG A 46 11.523 1.957 3.106 1.00 54.13 C ATOM 727 NE ARG A 46 12.494 1.114 2.370 1.00 71.04 N ATOM 728 CZ ARG A 46 13.446 1.573 1.530 1.00 3.12 C ATOM 729 NH1 ARG A 46 13.598 2.867 1.295 1.00 64.01 N ATOM 730 NH2 ARG A 46 14.279 0.718 0.950 1.00 45.35 N ATOM 0 H ARG A 46 8.776 -0.199 1.483 1.00 34.24 H new ATOM 0 HA ARG A 46 8.563 -1.633 3.918 1.00 12.31 H new ATOM 0 HB2 ARG A 46 10.154 0.091 4.753 1.00 51.15 H new ATOM 0 HB3 ARG A 46 10.663 -0.651 3.249 1.00 51.15 H new ATOM 0 HG2 ARG A 46 9.760 1.370 2.017 1.00 21.31 H new ATOM 0 HG3 ARG A 46 9.425 2.114 3.568 1.00 21.31 H new ATOM 0 HD2 ARG A 46 11.538 2.964 2.690 1.00 54.13 H new ATOM 0 HD3 ARG A 46 11.838 2.037 4.146 1.00 54.13 H new ATOM 0 HE ARG A 46 12.439 0.105 2.509 1.00 71.04 H new ATOM 0 HH11 ARG A 46 12.988 3.544 1.753 1.00 64.01 H new ATOM 0 HH12 ARG A 46 14.325 3.187 0.656 1.00 64.01 H new ATOM 0 HH21 ARG A 46 14.198 -0.281 1.140 1.00 45.35 H new ATOM 0 HH22 ARG A 46 15.000 1.060 0.315 1.00 45.35 H new ATOM 744 N ASP A 47 6.870 1.205 3.800 1.00 54.12 N ATOM 745 CA ASP A 47 5.774 1.954 4.451 1.00 21.22 C ATOM 746 C ASP A 47 4.509 1.087 4.678 1.00 21.24 C ATOM 747 O ASP A 47 3.919 1.138 5.755 1.00 22.33 O ATOM 748 CB ASP A 47 5.410 3.224 3.640 1.00 20.03 C ATOM 749 CG ASP A 47 6.400 4.394 3.823 1.00 74.44 C ATOM 750 OD1 ASP A 47 6.607 4.827 4.975 1.00 35.14 O ATOM 751 OD2 ASP A 47 6.966 4.890 2.831 1.00 74.20 O ATOM 0 H ASP A 47 7.144 1.582 2.893 1.00 54.12 H new ATOM 0 HA ASP A 47 6.146 2.250 5.432 1.00 21.22 H new ATOM 0 HB2 ASP A 47 5.362 2.965 2.582 1.00 20.03 H new ATOM 0 HB3 ASP A 47 4.414 3.556 3.933 1.00 20.03 H new ATOM 756 N MET A 48 4.091 0.319 3.648 1.00 70.52 N ATOM 757 CA MET A 48 2.915 -0.598 3.762 1.00 72.35 C ATOM 758 C MET A 48 3.178 -1.767 4.734 1.00 24.43 C ATOM 759 O MET A 48 2.247 -2.244 5.396 1.00 60.41 O ATOM 760 CB MET A 48 2.474 -1.138 2.376 1.00 12.34 C ATOM 761 CG MET A 48 1.737 -0.099 1.529 1.00 23.10 C ATOM 762 SD MET A 48 0.237 0.501 2.346 1.00 73.45 S ATOM 763 CE MET A 48 -0.350 1.738 1.192 1.00 13.42 C ATOM 0 H MET A 48 4.540 0.309 2.732 1.00 70.52 H new ATOM 0 HA MET A 48 2.101 -0.001 4.173 1.00 72.35 H new ATOM 0 HB2 MET A 48 3.353 -1.483 1.832 1.00 12.34 H new ATOM 0 HB3 MET A 48 1.828 -2.004 2.520 1.00 12.34 H new ATOM 0 HG2 MET A 48 2.401 0.742 1.327 1.00 23.10 H new ATOM 0 HG3 MET A 48 1.475 -0.536 0.566 1.00 23.10 H new ATOM 0 HE1 MET A 48 -1.358 2.045 1.469 1.00 13.42 H new ATOM 0 HE2 MET A 48 0.313 2.603 1.218 1.00 13.42 H new ATOM 0 HE3 MET A 48 -0.362 1.320 0.185 1.00 13.42 H new ATOM 773 N GLU A 49 4.438 -2.218 4.796 1.00 24.21 N ATOM 774 CA GLU A 49 4.877 -3.253 5.754 1.00 22.24 C ATOM 775 C GLU A 49 4.855 -2.715 7.191 1.00 5.34 C ATOM 776 O GLU A 49 4.330 -3.369 8.085 1.00 42.25 O ATOM 777 CB GLU A 49 6.284 -3.788 5.380 1.00 53.34 C ATOM 778 CG GLU A 49 6.308 -4.555 4.047 1.00 40.21 C ATOM 779 CD GLU A 49 7.699 -5.058 3.666 1.00 64.13 C ATOM 780 OE1 GLU A 49 8.116 -6.122 4.163 1.00 12.21 O ATOM 781 OE2 GLU A 49 8.385 -4.393 2.872 1.00 61.41 O ATOM 0 H GLU A 49 5.183 -1.880 4.187 1.00 24.21 H new ATOM 0 HA GLU A 49 4.175 -4.085 5.699 1.00 22.24 H new ATOM 0 HB2 GLU A 49 6.980 -2.951 5.322 1.00 53.34 H new ATOM 0 HB3 GLU A 49 6.639 -4.444 6.175 1.00 53.34 H new ATOM 0 HG2 GLU A 49 5.627 -5.404 4.112 1.00 40.21 H new ATOM 0 HG3 GLU A 49 5.934 -3.906 3.255 1.00 40.21 H new ATOM 788 N ASP A 50 5.399 -1.506 7.393 1.00 33.53 N ATOM 789 CA ASP A 50 5.418 -0.846 8.715 1.00 61.41 C ATOM 790 C ASP A 50 3.979 -0.538 9.179 1.00 51.11 C ATOM 791 O ASP A 50 3.685 -0.612 10.367 1.00 34.34 O ATOM 792 CB ASP A 50 6.283 0.454 8.689 1.00 74.30 C ATOM 793 CG ASP A 50 7.792 0.202 8.904 1.00 64.42 C ATOM 794 OD1 ASP A 50 8.518 -0.038 7.921 1.00 73.32 O ATOM 795 OD2 ASP A 50 8.254 0.226 10.068 1.00 1.44 O ATOM 0 H ASP A 50 5.837 -0.958 6.652 1.00 33.53 H new ATOM 0 HA ASP A 50 5.876 -1.531 9.429 1.00 61.41 H new ATOM 0 HB2 ASP A 50 6.140 0.955 7.732 1.00 74.30 H new ATOM 0 HB3 ASP A 50 5.924 1.134 9.461 1.00 74.30 H new ATOM 800 N LEU A 51 3.102 -0.208 8.208 1.00 72.44 N ATOM 801 CA LEU A 51 1.652 -0.023 8.430 1.00 1.11 C ATOM 802 C LEU A 51 1.006 -1.349 8.889 1.00 51.20 C ATOM 803 O LEU A 51 0.160 -1.361 9.797 1.00 42.24 O ATOM 804 CB LEU A 51 0.978 0.503 7.130 1.00 13.22 C ATOM 805 CG LEU A 51 -0.566 0.766 7.192 1.00 5.23 C ATOM 806 CD1 LEU A 51 -0.937 1.802 8.280 1.00 54.20 C ATOM 807 CD2 LEU A 51 -1.114 1.174 5.801 1.00 11.42 C ATOM 0 H LEU A 51 3.383 -0.061 7.239 1.00 72.44 H new ATOM 0 HA LEU A 51 1.504 0.716 9.218 1.00 1.11 H new ATOM 0 HB2 LEU A 51 1.470 1.433 6.844 1.00 13.22 H new ATOM 0 HB3 LEU A 51 1.169 -0.216 6.333 1.00 13.22 H new ATOM 0 HG LEU A 51 -1.045 -0.170 7.478 1.00 5.23 H new ATOM 0 HD11 LEU A 51 -2.017 1.952 8.286 1.00 54.20 H new ATOM 0 HD12 LEU A 51 -0.616 1.436 9.255 1.00 54.20 H new ATOM 0 HD13 LEU A 51 -0.440 2.748 8.066 1.00 54.20 H new ATOM 0 HD21 LEU A 51 -2.187 1.351 5.870 1.00 11.42 H new ATOM 0 HD22 LEU A 51 -0.617 2.085 5.467 1.00 11.42 H new ATOM 0 HD23 LEU A 51 -0.924 0.374 5.086 1.00 11.42 H new ATOM 819 N ALA A 52 1.438 -2.460 8.259 1.00 42.44 N ATOM 820 CA ALA A 52 0.990 -3.819 8.607 1.00 24.10 C ATOM 821 C ALA A 52 1.460 -4.217 10.022 1.00 15.43 C ATOM 822 O ALA A 52 0.724 -4.870 10.757 1.00 13.14 O ATOM 823 CB ALA A 52 1.491 -4.826 7.561 1.00 74.42 C ATOM 0 H ALA A 52 2.110 -2.437 7.492 1.00 42.44 H new ATOM 0 HA ALA A 52 -0.100 -3.830 8.607 1.00 24.10 H new ATOM 0 HB1 ALA A 52 1.154 -5.827 7.829 1.00 74.42 H new ATOM 0 HB2 ALA A 52 1.095 -4.560 6.581 1.00 74.42 H new ATOM 0 HB3 ALA A 52 2.580 -4.807 7.530 1.00 74.42 H new ATOM 829 N LYS A 53 2.684 -3.796 10.401 1.00 74.12 N ATOM 830 CA LYS A 53 3.218 -4.011 11.763 1.00 24.33 C ATOM 831 C LYS A 53 2.382 -3.228 12.805 1.00 21.15 C ATOM 832 O LYS A 53 1.931 -3.803 13.801 1.00 72.43 O ATOM 833 CB LYS A 53 4.742 -3.630 11.844 1.00 24.25 C ATOM 834 CG LYS A 53 5.716 -4.843 11.822 1.00 14.30 C ATOM 835 CD LYS A 53 5.819 -5.552 10.448 1.00 65.22 C ATOM 836 CE LYS A 53 6.692 -4.790 9.432 1.00 3.13 C ATOM 837 NZ LYS A 53 8.127 -4.731 9.834 1.00 13.53 N ATOM 0 H LYS A 53 3.325 -3.302 9.780 1.00 74.12 H new ATOM 0 HA LYS A 53 3.137 -5.073 11.997 1.00 24.33 H new ATOM 0 HB2 LYS A 53 4.983 -2.972 11.009 1.00 24.25 H new ATOM 0 HB3 LYS A 53 4.912 -3.061 12.758 1.00 24.25 H new ATOM 0 HG2 LYS A 53 6.708 -4.503 12.118 1.00 14.30 H new ATOM 0 HG3 LYS A 53 5.392 -5.568 12.569 1.00 14.30 H new ATOM 0 HD2 LYS A 53 6.230 -6.551 10.593 1.00 65.22 H new ATOM 0 HD3 LYS A 53 4.818 -5.676 10.035 1.00 65.22 H new ATOM 0 HE2 LYS A 53 6.612 -5.272 8.457 1.00 3.13 H new ATOM 0 HE3 LYS A 53 6.309 -3.776 9.319 1.00 3.13 H new ATOM 0 HZ1 LYS A 53 8.698 -4.393 9.033 1.00 13.53 H new ATOM 0 HZ2 LYS A 53 8.236 -4.079 10.637 1.00 13.53 H new ATOM 0 HZ3 LYS A 53 8.449 -5.680 10.113 1.00 13.53 H new ATOM 851 N LYS A 54 2.154 -1.932 12.512 1.00 31.41 N ATOM 852 CA LYS A 54 1.363 -1.001 13.360 1.00 23.23 C ATOM 853 C LYS A 54 -0.023 -1.567 13.730 1.00 34.32 C ATOM 854 O LYS A 54 -0.476 -1.440 14.871 1.00 71.05 O ATOM 855 CB LYS A 54 1.174 0.352 12.611 1.00 65.12 C ATOM 856 CG LYS A 54 2.422 1.267 12.555 1.00 24.25 C ATOM 857 CD LYS A 54 2.239 2.480 11.601 1.00 40.15 C ATOM 858 CE LYS A 54 0.947 3.280 11.865 1.00 22.32 C ATOM 859 NZ LYS A 54 0.842 3.719 13.283 1.00 71.55 N ATOM 0 H LYS A 54 2.518 -1.490 11.668 1.00 31.41 H new ATOM 0 HA LYS A 54 1.920 -0.859 14.286 1.00 23.23 H new ATOM 0 HB2 LYS A 54 0.855 0.140 11.590 1.00 65.12 H new ATOM 0 HB3 LYS A 54 0.364 0.902 13.090 1.00 65.12 H new ATOM 0 HG2 LYS A 54 2.645 1.630 13.558 1.00 24.25 H new ATOM 0 HG3 LYS A 54 3.282 0.681 12.229 1.00 24.25 H new ATOM 0 HD2 LYS A 54 3.096 3.145 11.703 1.00 40.15 H new ATOM 0 HD3 LYS A 54 2.233 2.124 10.571 1.00 40.15 H new ATOM 0 HE2 LYS A 54 0.922 4.153 11.213 1.00 22.32 H new ATOM 0 HE3 LYS A 54 0.083 2.667 11.611 1.00 22.32 H new ATOM 0 HZ1 LYS A 54 0.013 4.337 13.394 1.00 71.55 H new ATOM 0 HZ2 LYS A 54 0.738 2.886 13.897 1.00 71.55 H new ATOM 0 HZ3 LYS A 54 1.701 4.240 13.550 1.00 71.55 H new ATOM 873 N THR A 55 -0.680 -2.178 12.739 1.00 44.11 N ATOM 874 CA THR A 55 -2.046 -2.702 12.871 1.00 72.10 C ATOM 875 C THR A 55 -2.052 -4.210 13.200 1.00 21.34 C ATOM 876 O THR A 55 -3.107 -4.769 13.524 1.00 63.13 O ATOM 877 CB THR A 55 -2.843 -2.409 11.560 1.00 2.50 C ATOM 878 OG1 THR A 55 -2.168 -2.993 10.438 1.00 54.14 O ATOM 879 CG2 THR A 55 -3.009 -0.893 11.322 1.00 71.22 C ATOM 0 H THR A 55 -0.276 -2.325 11.814 1.00 44.11 H new ATOM 0 HA THR A 55 -2.531 -2.197 13.706 1.00 72.10 H new ATOM 0 HB THR A 55 -3.834 -2.848 11.671 1.00 2.50 H new ATOM 0 HG1 THR A 55 -1.401 -2.435 10.191 1.00 54.14 H new ATOM 0 HG21 THR A 55 -3.568 -0.728 10.401 1.00 71.22 H new ATOM 0 HG22 THR A 55 -3.549 -0.450 12.159 1.00 71.22 H new ATOM 0 HG23 THR A 55 -2.027 -0.428 11.238 1.00 71.22 H new ATOM 887 N GLY A 56 -0.863 -4.861 13.128 1.00 60.53 N ATOM 888 CA GLY A 56 -0.735 -6.304 13.395 1.00 20.34 C ATOM 889 C GLY A 56 -1.350 -7.190 12.306 1.00 61.22 C ATOM 890 O GLY A 56 -1.712 -8.340 12.569 1.00 51.13 O ATOM 0 H GLY A 56 0.016 -4.404 12.887 1.00 60.53 H new ATOM 0 HA2 GLY A 56 0.321 -6.553 13.500 1.00 20.34 H new ATOM 0 HA3 GLY A 56 -1.212 -6.532 14.348 1.00 20.34 H new ATOM 894 N VAL A 57 -1.459 -6.635 11.077 1.00 43.22 N ATOM 895 CA VAL A 57 -1.991 -7.339 9.883 1.00 13.13 C ATOM 896 C VAL A 57 -0.833 -7.701 8.927 1.00 62.43 C ATOM 897 O VAL A 57 0.338 -7.435 9.235 1.00 24.33 O ATOM 898 CB VAL A 57 -3.085 -6.485 9.129 1.00 61.12 C ATOM 899 CG1 VAL A 57 -4.180 -6.011 10.102 1.00 2.03 C ATOM 900 CG2 VAL A 57 -2.476 -5.300 8.337 1.00 21.33 C ATOM 0 H VAL A 57 -1.177 -5.674 10.882 1.00 43.22 H new ATOM 0 HA VAL A 57 -2.477 -8.253 10.225 1.00 13.13 H new ATOM 0 HB VAL A 57 -3.547 -7.141 8.391 1.00 61.12 H new ATOM 0 HG11 VAL A 57 -4.921 -5.425 9.558 1.00 2.03 H new ATOM 0 HG12 VAL A 57 -4.663 -6.876 10.556 1.00 2.03 H new ATOM 0 HG13 VAL A 57 -3.732 -5.395 10.882 1.00 2.03 H new ATOM 0 HG21 VAL A 57 -3.273 -4.748 7.839 1.00 21.33 H new ATOM 0 HG22 VAL A 57 -1.949 -4.637 9.023 1.00 21.33 H new ATOM 0 HG23 VAL A 57 -1.778 -5.681 7.592 1.00 21.33 H new ATOM 910 N GLN A 58 -1.160 -8.338 7.784 1.00 74.31 N ATOM 911 CA GLN A 58 -0.157 -8.775 6.778 1.00 21.04 C ATOM 912 C GLN A 58 -0.503 -8.208 5.385 1.00 1.32 C ATOM 913 O GLN A 58 -1.607 -7.690 5.183 1.00 3.53 O ATOM 914 CB GLN A 58 -0.090 -10.328 6.770 1.00 22.55 C ATOM 915 CG GLN A 58 0.241 -10.934 8.156 1.00 10.15 C ATOM 916 CD GLN A 58 0.402 -12.460 8.193 1.00 74.22 C ATOM 917 OE1 GLN A 58 0.065 -13.102 9.192 1.00 72.51 O ATOM 918 NE2 GLN A 58 0.954 -13.048 7.144 1.00 50.42 N ATOM 0 H GLN A 58 -2.121 -8.565 7.529 1.00 74.31 H new ATOM 0 HA GLN A 58 0.826 -8.387 7.043 1.00 21.04 H new ATOM 0 HB2 GLN A 58 -1.046 -10.724 6.427 1.00 22.55 H new ATOM 0 HB3 GLN A 58 0.664 -10.649 6.051 1.00 22.55 H new ATOM 0 HG2 GLN A 58 1.163 -10.481 8.520 1.00 10.15 H new ATOM 0 HG3 GLN A 58 -0.549 -10.653 8.853 1.00 10.15 H new ATOM 0 HE21 GLN A 58 1.223 -12.493 6.331 1.00 50.42 H new ATOM 0 HE22 GLN A 58 1.110 -14.056 7.148 1.00 50.42 H new ATOM 927 N ILE A 59 0.449 -8.274 4.426 1.00 44.00 N ATOM 928 CA ILE A 59 0.234 -7.756 3.051 1.00 33.43 C ATOM 929 C ILE A 59 0.661 -8.801 1.995 1.00 14.14 C ATOM 930 O ILE A 59 1.272 -9.828 2.320 1.00 0.24 O ATOM 931 CB ILE A 59 0.993 -6.383 2.780 1.00 31.24 C ATOM 932 CG1 ILE A 59 2.536 -6.585 2.624 1.00 1.15 C ATOM 933 CG2 ILE A 59 0.702 -5.346 3.891 1.00 25.33 C ATOM 934 CD1 ILE A 59 3.316 -5.333 2.235 1.00 3.42 C ATOM 0 H ILE A 59 1.373 -8.680 4.577 1.00 44.00 H new ATOM 0 HA ILE A 59 -0.835 -7.563 2.965 1.00 33.43 H new ATOM 0 HB ILE A 59 0.608 -5.998 1.836 1.00 31.24 H new ATOM 0 HG12 ILE A 59 2.934 -6.965 3.565 1.00 1.15 H new ATOM 0 HG13 ILE A 59 2.712 -7.353 1.871 1.00 1.15 H new ATOM 0 HG21 ILE A 59 1.236 -4.421 3.674 1.00 25.33 H new ATOM 0 HG22 ILE A 59 -0.369 -5.146 3.931 1.00 25.33 H new ATOM 0 HG23 ILE A 59 1.034 -5.740 4.852 1.00 25.33 H new ATOM 0 HD11 ILE A 59 4.375 -5.576 2.152 1.00 3.42 H new ATOM 0 HD12 ILE A 59 2.953 -4.961 1.277 1.00 3.42 H new ATOM 0 HD13 ILE A 59 3.178 -4.567 2.998 1.00 3.42 H new ATOM 946 N GLN A 60 0.322 -8.514 0.726 1.00 22.21 N ATOM 947 CA GLN A 60 0.708 -9.319 -0.448 1.00 21.40 C ATOM 948 C GLN A 60 1.256 -8.367 -1.523 1.00 11.20 C ATOM 949 O GLN A 60 0.628 -7.355 -1.814 1.00 25.53 O ATOM 950 CB GLN A 60 -0.524 -10.110 -0.984 1.00 23.12 C ATOM 951 CG GLN A 60 -0.306 -10.882 -2.313 1.00 1.32 C ATOM 952 CD GLN A 60 0.796 -11.958 -2.252 1.00 43.24 C ATOM 953 OE1 GLN A 60 1.967 -11.688 -2.528 1.00 31.22 O ATOM 954 NE2 GLN A 60 0.428 -13.181 -1.884 1.00 1.40 N ATOM 0 H GLN A 60 -0.240 -7.699 0.482 1.00 22.21 H new ATOM 0 HA GLN A 60 1.475 -10.044 -0.175 1.00 21.40 H new ATOM 0 HB2 GLN A 60 -0.836 -10.822 -0.219 1.00 23.12 H new ATOM 0 HB3 GLN A 60 -1.348 -9.411 -1.123 1.00 23.12 H new ATOM 0 HG2 GLN A 60 -1.244 -11.356 -2.601 1.00 1.32 H new ATOM 0 HG3 GLN A 60 -0.056 -10.167 -3.097 1.00 1.32 H new ATOM 0 HE21 GLN A 60 -0.548 -13.375 -1.662 1.00 1.40 H new ATOM 0 HE22 GLN A 60 1.122 -13.926 -1.824 1.00 1.40 H new ATOM 963 N LYS A 61 2.427 -8.684 -2.094 1.00 32.23 N ATOM 964 CA LYS A 61 3.053 -7.867 -3.158 1.00 24.33 C ATOM 965 C LYS A 61 2.948 -8.610 -4.496 1.00 11.22 C ATOM 966 O LYS A 61 3.350 -9.777 -4.592 1.00 30.30 O ATOM 967 CB LYS A 61 4.546 -7.583 -2.831 1.00 72.04 C ATOM 968 CG LYS A 61 4.791 -6.784 -1.530 1.00 33.24 C ATOM 969 CD LYS A 61 6.294 -6.525 -1.290 1.00 12.11 C ATOM 970 CE LYS A 61 6.570 -5.761 0.007 1.00 43.34 C ATOM 971 NZ LYS A 61 8.031 -5.618 0.234 1.00 21.23 N ATOM 0 H LYS A 61 2.969 -9.509 -1.837 1.00 32.23 H new ATOM 0 HA LYS A 61 2.529 -6.913 -3.222 1.00 24.33 H new ATOM 0 HB2 LYS A 61 5.074 -8.534 -2.760 1.00 72.04 H new ATOM 0 HB3 LYS A 61 4.987 -7.035 -3.664 1.00 72.04 H new ATOM 0 HG2 LYS A 61 4.262 -5.832 -1.583 1.00 33.24 H new ATOM 0 HG3 LYS A 61 4.377 -7.332 -0.684 1.00 33.24 H new ATOM 0 HD2 LYS A 61 6.821 -7.479 -1.263 1.00 12.11 H new ATOM 0 HD3 LYS A 61 6.698 -5.961 -2.130 1.00 12.11 H new ATOM 0 HE2 LYS A 61 6.107 -4.776 -0.040 1.00 43.34 H new ATOM 0 HE3 LYS A 61 6.116 -6.286 0.847 1.00 43.34 H new ATOM 0 HZ1 LYS A 61 8.196 -5.039 1.082 1.00 21.23 H new ATOM 0 HZ2 LYS A 61 8.455 -6.558 0.369 1.00 21.23 H new ATOM 0 HZ3 LYS A 61 8.467 -5.157 -0.590 1.00 21.23 H new ATOM 985 N GLN A 62 2.407 -7.939 -5.520 1.00 74.13 N ATOM 986 CA GLN A 62 2.258 -8.497 -6.871 1.00 43.12 C ATOM 987 C GLN A 62 2.574 -7.418 -7.919 1.00 1.21 C ATOM 988 O GLN A 62 1.931 -6.370 -7.940 1.00 2.21 O ATOM 989 CB GLN A 62 0.807 -9.021 -7.069 1.00 51.32 C ATOM 990 CG GLN A 62 0.528 -9.607 -8.471 1.00 61.22 C ATOM 991 CD GLN A 62 1.391 -10.831 -8.808 1.00 65.10 C ATOM 992 OE1 GLN A 62 1.710 -11.644 -7.944 1.00 15.00 O ATOM 993 NE2 GLN A 62 1.809 -10.952 -10.049 1.00 75.44 N ATOM 0 H GLN A 62 2.057 -6.985 -5.434 1.00 74.13 H new ATOM 0 HA GLN A 62 2.955 -9.326 -6.994 1.00 43.12 H new ATOM 0 HB2 GLN A 62 0.605 -9.788 -6.321 1.00 51.32 H new ATOM 0 HB3 GLN A 62 0.110 -8.204 -6.884 1.00 51.32 H new ATOM 0 HG2 GLN A 62 -0.524 -9.885 -8.537 1.00 61.22 H new ATOM 0 HG3 GLN A 62 0.701 -8.834 -9.220 1.00 61.22 H new ATOM 0 HE21 GLN A 62 1.531 -10.265 -10.750 1.00 75.44 H new ATOM 0 HE22 GLN A 62 2.411 -11.733 -10.311 1.00 75.44 H new ATOM 1002 N TRP A 63 3.562 -7.686 -8.780 1.00 23.40 N ATOM 1003 CA TRP A 63 3.916 -6.804 -9.905 1.00 65.41 C ATOM 1004 C TRP A 63 3.107 -7.195 -11.158 1.00 1.41 C ATOM 1005 O TRP A 63 2.870 -8.384 -11.395 1.00 25.13 O ATOM 1006 CB TRP A 63 5.423 -6.909 -10.222 1.00 73.03 C ATOM 1007 CG TRP A 63 6.350 -6.412 -9.126 1.00 2.50 C ATOM 1008 CD1 TRP A 63 6.640 -7.023 -7.931 1.00 3.21 C ATOM 1009 CD2 TRP A 63 7.140 -5.211 -9.156 1.00 33.33 C ATOM 1010 NE1 TRP A 63 7.536 -6.260 -7.218 1.00 42.51 N ATOM 1011 CE2 TRP A 63 7.860 -5.148 -7.950 1.00 43.10 C ATOM 1012 CE3 TRP A 63 7.296 -4.174 -10.089 1.00 5.33 C ATOM 1013 CZ2 TRP A 63 8.729 -4.103 -7.654 1.00 72.03 C ATOM 1014 CZ3 TRP A 63 8.160 -3.138 -9.793 1.00 52.22 C ATOM 1015 CH2 TRP A 63 8.863 -3.109 -8.585 1.00 52.00 C ATOM 0 H TRP A 63 4.142 -8.523 -8.719 1.00 23.40 H new ATOM 0 HA TRP A 63 3.681 -5.778 -9.622 1.00 65.41 H new ATOM 0 HB2 TRP A 63 5.662 -7.951 -10.433 1.00 73.03 H new ATOM 0 HB3 TRP A 63 5.627 -6.345 -11.132 1.00 73.03 H new ATOM 0 HD1 TRP A 63 6.226 -7.964 -7.600 1.00 3.21 H new ATOM 0 HE1 TRP A 63 7.901 -6.486 -6.293 1.00 42.51 H new ATOM 0 HE3 TRP A 63 6.751 -4.186 -11.021 1.00 5.33 H new ATOM 0 HZ2 TRP A 63 9.278 -4.077 -6.724 1.00 72.03 H new ATOM 0 HZ3 TRP A 63 8.295 -2.338 -10.506 1.00 52.22 H new ATOM 0 HH2 TRP A 63 9.528 -2.282 -8.382 1.00 52.00 H new ATOM 1026 N GLN A 64 2.707 -6.189 -11.957 1.00 60.04 N ATOM 1027 CA GLN A 64 2.014 -6.382 -13.240 1.00 20.54 C ATOM 1028 C GLN A 64 2.376 -5.218 -14.171 1.00 22.03 C ATOM 1029 O GLN A 64 1.917 -4.087 -13.960 1.00 24.31 O ATOM 1030 CB GLN A 64 0.475 -6.460 -13.021 1.00 22.00 C ATOM 1031 CG GLN A 64 -0.387 -6.620 -14.298 1.00 71.00 C ATOM 1032 CD GLN A 64 -0.162 -7.942 -15.034 1.00 31.23 C ATOM 1033 OE1 GLN A 64 -0.825 -8.945 -14.764 1.00 11.21 O ATOM 1034 NE2 GLN A 64 0.777 -7.960 -15.962 1.00 11.22 N ATOM 0 H GLN A 64 2.859 -5.207 -11.725 1.00 60.04 H new ATOM 0 HA GLN A 64 2.329 -7.322 -13.694 1.00 20.54 H new ATOM 0 HB2 GLN A 64 0.265 -7.299 -12.358 1.00 22.00 H new ATOM 0 HB3 GLN A 64 0.156 -5.556 -12.502 1.00 22.00 H new ATOM 0 HG2 GLN A 64 -1.440 -6.541 -14.027 1.00 71.00 H new ATOM 0 HG3 GLN A 64 -0.170 -5.795 -14.977 1.00 71.00 H new ATOM 0 HE21 GLN A 64 1.310 -7.114 -16.164 1.00 11.22 H new ATOM 0 HE22 GLN A 64 0.969 -8.820 -16.477 1.00 11.22 H new ATOM 1043 N GLY A 65 3.238 -5.504 -15.166 1.00 24.21 N ATOM 1044 CA GLY A 65 3.692 -4.502 -16.135 1.00 24.04 C ATOM 1045 C GLY A 65 4.444 -3.343 -15.494 1.00 21.02 C ATOM 1046 O GLY A 65 4.156 -2.179 -15.790 1.00 64.35 O ATOM 0 H GLY A 65 3.634 -6.432 -15.316 1.00 24.21 H new ATOM 0 HA2 GLY A 65 4.338 -4.983 -16.870 1.00 24.04 H new ATOM 0 HA3 GLY A 65 2.829 -4.112 -16.675 1.00 24.04 H new ATOM 1050 N ASN A 66 5.380 -3.689 -14.576 1.00 25.52 N ATOM 1051 CA ASN A 66 6.262 -2.730 -13.867 1.00 35.00 C ATOM 1052 C ASN A 66 5.442 -1.794 -12.935 1.00 11.24 C ATOM 1053 O ASN A 66 5.808 -0.647 -12.663 1.00 21.22 O ATOM 1054 CB ASN A 66 7.162 -1.985 -14.908 1.00 74.22 C ATOM 1055 CG ASN A 66 8.245 -1.089 -14.303 1.00 33.13 C ATOM 1056 OD1 ASN A 66 8.087 0.131 -14.203 1.00 60.54 O ATOM 1057 ND2 ASN A 66 9.352 -1.688 -13.896 1.00 32.24 N ATOM 0 H ASN A 66 5.546 -4.658 -14.303 1.00 25.52 H new ATOM 0 HA ASN A 66 6.937 -3.262 -13.196 1.00 35.00 H new ATOM 0 HB2 ASN A 66 7.641 -2.726 -15.548 1.00 74.22 H new ATOM 0 HB3 ASN A 66 6.523 -1.376 -15.548 1.00 74.22 H new ATOM 0 HD21 ASN A 66 10.107 -1.139 -13.485 1.00 32.24 H new ATOM 0 HD22 ASN A 66 9.450 -2.699 -13.993 1.00 32.24 H new ATOM 1064 N LYS A 67 4.315 -2.325 -12.426 1.00 33.30 N ATOM 1065 CA LYS A 67 3.491 -1.671 -11.391 1.00 34.24 C ATOM 1066 C LYS A 67 3.420 -2.585 -10.176 1.00 2.14 C ATOM 1067 O LYS A 67 3.069 -3.756 -10.314 1.00 10.21 O ATOM 1068 CB LYS A 67 2.056 -1.368 -11.914 1.00 22.25 C ATOM 1069 CG LYS A 67 1.985 -0.261 -12.978 1.00 41.33 C ATOM 1070 CD LYS A 67 2.499 1.089 -12.438 1.00 13.32 C ATOM 1071 CE LYS A 67 2.312 2.239 -13.429 1.00 54.33 C ATOM 1072 NZ LYS A 67 3.115 2.079 -14.662 1.00 52.14 N ATOM 0 H LYS A 67 3.947 -3.228 -12.724 1.00 33.30 H new ATOM 0 HA LYS A 67 3.950 -0.719 -11.123 1.00 34.24 H new ATOM 0 HB2 LYS A 67 1.634 -2.283 -12.331 1.00 22.25 H new ATOM 0 HB3 LYS A 67 1.428 -1.084 -11.070 1.00 22.25 H new ATOM 0 HG2 LYS A 67 2.576 -0.553 -13.846 1.00 41.33 H new ATOM 0 HG3 LYS A 67 0.955 -0.148 -13.317 1.00 41.33 H new ATOM 0 HD2 LYS A 67 1.976 1.326 -11.512 1.00 13.32 H new ATOM 0 HD3 LYS A 67 3.557 0.997 -12.192 1.00 13.32 H new ATOM 0 HE2 LYS A 67 1.258 2.313 -13.696 1.00 54.33 H new ATOM 0 HE3 LYS A 67 2.584 3.176 -12.944 1.00 54.33 H new ATOM 0 HZ1 LYS A 67 2.946 2.888 -15.294 1.00 52.14 H new ATOM 0 HZ2 LYS A 67 4.125 2.037 -14.416 1.00 52.14 H new ATOM 0 HZ3 LYS A 67 2.839 1.200 -15.144 1.00 52.14 H new ATOM 1086 N LEU A 68 3.760 -2.053 -8.996 1.00 20.35 N ATOM 1087 CA LEU A 68 3.675 -2.808 -7.749 1.00 75.24 C ATOM 1088 C LEU A 68 2.294 -2.588 -7.121 1.00 53.04 C ATOM 1089 O LEU A 68 1.967 -1.482 -6.681 1.00 63.23 O ATOM 1090 CB LEU A 68 4.778 -2.398 -6.752 1.00 11.03 C ATOM 1091 CG LEU A 68 4.686 -3.111 -5.361 1.00 61.43 C ATOM 1092 CD1 LEU A 68 4.940 -4.636 -5.456 1.00 32.23 C ATOM 1093 CD2 LEU A 68 5.603 -2.438 -4.348 1.00 72.11 C ATOM 0 H LEU A 68 4.098 -1.097 -8.883 1.00 20.35 H new ATOM 0 HA LEU A 68 3.820 -3.863 -7.979 1.00 75.24 H new ATOM 0 HB2 LEU A 68 5.750 -2.614 -7.195 1.00 11.03 H new ATOM 0 HB3 LEU A 68 4.730 -1.320 -6.599 1.00 11.03 H new ATOM 0 HG LEU A 68 3.661 -3.002 -5.007 1.00 61.43 H new ATOM 0 HD11 LEU A 68 4.864 -5.080 -4.463 1.00 32.23 H new ATOM 0 HD12 LEU A 68 4.198 -5.088 -6.114 1.00 32.23 H new ATOM 0 HD13 LEU A 68 5.937 -4.814 -5.858 1.00 32.23 H new ATOM 0 HD21 LEU A 68 5.523 -2.950 -3.389 1.00 72.11 H new ATOM 0 HD22 LEU A 68 6.633 -2.487 -4.701 1.00 72.11 H new ATOM 0 HD23 LEU A 68 5.310 -1.395 -4.228 1.00 72.11 H new ATOM 1105 N ARG A 69 1.498 -3.643 -7.117 1.00 55.14 N ATOM 1106 CA ARG A 69 0.198 -3.688 -6.453 1.00 0.31 C ATOM 1107 C ARG A 69 0.342 -4.451 -5.124 1.00 21.32 C ATOM 1108 O ARG A 69 0.631 -5.649 -5.118 1.00 62.01 O ATOM 1109 CB ARG A 69 -0.834 -4.375 -7.383 1.00 11.12 C ATOM 1110 CG ARG A 69 -2.265 -4.454 -6.817 1.00 32.32 C ATOM 1111 CD ARG A 69 -3.229 -5.155 -7.779 1.00 74.31 C ATOM 1112 NE ARG A 69 -2.791 -6.525 -8.104 1.00 64.32 N ATOM 1113 CZ ARG A 69 -3.604 -7.557 -8.384 1.00 3.15 C ATOM 1114 NH1 ARG A 69 -4.930 -7.420 -8.379 1.00 2.44 N ATOM 1115 NH2 ARG A 69 -3.081 -8.736 -8.687 1.00 41.55 N ATOM 0 H ARG A 69 1.740 -4.516 -7.586 1.00 55.14 H new ATOM 0 HA ARG A 69 -0.155 -2.679 -6.240 1.00 0.31 H new ATOM 0 HB2 ARG A 69 -0.863 -3.837 -8.330 1.00 11.12 H new ATOM 0 HB3 ARG A 69 -0.489 -5.386 -7.601 1.00 11.12 H new ATOM 0 HG2 ARG A 69 -2.249 -4.989 -5.867 1.00 32.32 H new ATOM 0 HG3 ARG A 69 -2.628 -3.447 -6.610 1.00 32.32 H new ATOM 0 HD2 ARG A 69 -4.223 -5.189 -7.334 1.00 74.31 H new ATOM 0 HD3 ARG A 69 -3.310 -4.574 -8.697 1.00 74.31 H new ATOM 0 HE ARG A 69 -1.787 -6.704 -8.117 1.00 64.32 H new ATOM 0 HH11 ARG A 69 -5.348 -6.516 -8.159 1.00 2.44 H new ATOM 0 HH12 ARG A 69 -5.526 -8.219 -8.595 1.00 2.44 H new ATOM 0 HH21 ARG A 69 -2.068 -8.855 -8.706 1.00 41.55 H new ATOM 0 HH22 ARG A 69 -3.691 -9.525 -8.901 1.00 41.55 H new ATOM 1129 N ILE A 70 0.158 -3.737 -4.009 1.00 31.11 N ATOM 1130 CA ILE A 70 0.168 -4.328 -2.664 1.00 55.21 C ATOM 1131 C ILE A 70 -1.280 -4.411 -2.159 1.00 62.43 C ATOM 1132 O ILE A 70 -1.991 -3.406 -2.126 1.00 31.23 O ATOM 1133 CB ILE A 70 1.072 -3.519 -1.650 1.00 55.23 C ATOM 1134 CG1 ILE A 70 2.581 -3.595 -2.072 1.00 2.12 C ATOM 1135 CG2 ILE A 70 0.871 -4.012 -0.197 1.00 73.32 C ATOM 1136 CD1 ILE A 70 3.563 -2.938 -1.107 1.00 22.24 C ATOM 0 H ILE A 70 -0.003 -2.730 -4.012 1.00 31.11 H new ATOM 0 HA ILE A 70 0.606 -5.324 -2.727 1.00 55.21 H new ATOM 0 HB ILE A 70 0.763 -2.474 -1.684 1.00 55.23 H new ATOM 0 HG12 ILE A 70 2.857 -4.643 -2.187 1.00 2.12 H new ATOM 0 HG13 ILE A 70 2.691 -3.128 -3.051 1.00 2.12 H new ATOM 0 HG21 ILE A 70 1.507 -3.435 0.474 1.00 73.32 H new ATOM 0 HG22 ILE A 70 -0.172 -3.882 0.090 1.00 73.32 H new ATOM 0 HG23 ILE A 70 1.137 -5.067 -0.131 1.00 73.32 H new ATOM 0 HD11 ILE A 70 4.578 -3.046 -1.491 1.00 22.24 H new ATOM 0 HD12 ILE A 70 3.323 -1.879 -1.009 1.00 22.24 H new ATOM 0 HD13 ILE A 70 3.491 -3.419 -0.131 1.00 22.24 H new ATOM 1148 N ARG A 71 -1.707 -5.619 -1.787 1.00 53.34 N ATOM 1149 CA ARG A 71 -3.026 -5.857 -1.212 1.00 40.41 C ATOM 1150 C ARG A 71 -2.912 -5.839 0.319 1.00 11.31 C ATOM 1151 O ARG A 71 -2.090 -6.552 0.907 1.00 32.14 O ATOM 1152 CB ARG A 71 -3.588 -7.221 -1.681 1.00 52.21 C ATOM 1153 CG ARG A 71 -5.040 -7.499 -1.214 1.00 41.11 C ATOM 1154 CD ARG A 71 -5.444 -8.974 -1.328 1.00 35.11 C ATOM 1155 NE ARG A 71 -6.825 -9.220 -0.859 1.00 4.14 N ATOM 1156 CZ ARG A 71 -7.259 -9.156 0.417 1.00 61.01 C ATOM 1157 NH1 ARG A 71 -6.448 -8.844 1.428 1.00 50.01 N ATOM 1158 NH2 ARG A 71 -8.521 -9.451 0.676 1.00 1.32 N ATOM 0 H ARG A 71 -1.142 -6.463 -1.878 1.00 53.34 H new ATOM 0 HA ARG A 71 -3.708 -5.074 -1.544 1.00 40.41 H new ATOM 0 HB2 ARG A 71 -3.553 -7.262 -2.770 1.00 52.21 H new ATOM 0 HB3 ARG A 71 -2.940 -8.016 -1.312 1.00 52.21 H new ATOM 0 HG2 ARG A 71 -5.148 -7.179 -0.178 1.00 41.11 H new ATOM 0 HG3 ARG A 71 -5.727 -6.895 -1.807 1.00 41.11 H new ATOM 0 HD2 ARG A 71 -5.354 -9.293 -2.366 1.00 35.11 H new ATOM 0 HD3 ARG A 71 -4.752 -9.583 -0.746 1.00 35.11 H new ATOM 0 HE ARG A 71 -7.516 -9.461 -1.569 1.00 4.14 H new ATOM 0 HH11 ARG A 71 -5.464 -8.644 1.249 1.00 50.01 H new ATOM 0 HH12 ARG A 71 -6.812 -8.805 2.380 1.00 50.01 H new ATOM 0 HH21 ARG A 71 -9.148 -9.721 -0.082 1.00 1.32 H new ATOM 0 HH22 ARG A 71 -8.868 -9.409 1.634 1.00 1.32 H new ATOM 1172 N LEU A 72 -3.752 -5.015 0.930 1.00 64.04 N ATOM 1173 CA LEU A 72 -3.828 -4.828 2.379 1.00 55.40 C ATOM 1174 C LEU A 72 -5.079 -5.541 2.930 1.00 25.11 C ATOM 1175 O LEU A 72 -6.061 -5.757 2.210 1.00 60.42 O ATOM 1176 CB LEU A 72 -3.899 -3.310 2.673 1.00 22.30 C ATOM 1177 CG LEU A 72 -2.796 -2.432 2.001 1.00 43.24 C ATOM 1178 CD1 LEU A 72 -3.058 -0.941 2.232 1.00 63.31 C ATOM 1179 CD2 LEU A 72 -1.381 -2.824 2.471 1.00 43.21 C ATOM 0 H LEU A 72 -4.421 -4.439 0.419 1.00 64.04 H new ATOM 0 HA LEU A 72 -2.949 -5.254 2.863 1.00 55.40 H new ATOM 0 HB2 LEU A 72 -4.874 -2.943 2.352 1.00 22.30 H new ATOM 0 HB3 LEU A 72 -3.843 -3.166 3.752 1.00 22.30 H new ATOM 0 HG LEU A 72 -2.845 -2.622 0.929 1.00 43.24 H new ATOM 0 HD11 LEU A 72 -2.274 -0.355 1.753 1.00 63.31 H new ATOM 0 HD12 LEU A 72 -4.024 -0.671 1.806 1.00 63.31 H new ATOM 0 HD13 LEU A 72 -3.063 -0.734 3.302 1.00 63.31 H new ATOM 0 HD21 LEU A 72 -0.645 -2.188 1.979 1.00 43.21 H new ATOM 0 HD22 LEU A 72 -1.308 -2.695 3.551 1.00 43.21 H new ATOM 0 HD23 LEU A 72 -1.189 -3.866 2.216 1.00 43.21 H new ATOM 1191 N LYS A 73 -5.007 -5.962 4.181 1.00 31.24 N ATOM 1192 CA LYS A 73 -6.177 -6.428 4.950 1.00 62.22 C ATOM 1193 C LYS A 73 -6.348 -5.570 6.199 1.00 31.20 C ATOM 1194 O LYS A 73 -5.356 -5.155 6.809 1.00 40.44 O ATOM 1195 CB LYS A 73 -5.998 -7.933 5.292 1.00 22.11 C ATOM 1196 CG LYS A 73 -4.610 -8.309 5.864 1.00 3.44 C ATOM 1197 CD LYS A 73 -4.181 -9.740 5.488 1.00 62.32 C ATOM 1198 CE LYS A 73 -4.053 -9.958 3.975 1.00 42.44 C ATOM 1199 NZ LYS A 73 -3.737 -11.375 3.658 1.00 24.05 N ATOM 0 H LYS A 73 -4.134 -5.995 4.707 1.00 31.24 H new ATOM 0 HA LYS A 73 -7.086 -6.325 4.358 1.00 62.22 H new ATOM 0 HB2 LYS A 73 -6.763 -8.220 6.014 1.00 22.11 H new ATOM 0 HB3 LYS A 73 -6.175 -8.519 4.390 1.00 22.11 H new ATOM 0 HG2 LYS A 73 -3.866 -7.602 5.496 1.00 3.44 H new ATOM 0 HG3 LYS A 73 -4.631 -8.213 6.950 1.00 3.44 H new ATOM 0 HD2 LYS A 73 -3.225 -9.961 5.962 1.00 62.32 H new ATOM 0 HD3 LYS A 73 -4.907 -10.447 5.890 1.00 62.32 H new ATOM 0 HE2 LYS A 73 -4.983 -9.672 3.484 1.00 42.44 H new ATOM 0 HE3 LYS A 73 -3.271 -9.311 3.577 1.00 42.44 H new ATOM 0 HZ1 LYS A 73 -3.657 -11.491 2.628 1.00 24.05 H new ATOM 0 HZ2 LYS A 73 -2.837 -11.639 4.107 1.00 24.05 H new ATOM 0 HZ3 LYS A 73 -4.496 -11.989 4.017 1.00 24.05 H new ATOM 1213 N GLY A 74 -7.615 -5.300 6.567 1.00 22.31 N ATOM 1214 CA GLY A 74 -7.932 -4.501 7.754 1.00 71.32 C ATOM 1215 C GLY A 74 -7.716 -5.277 9.036 1.00 35.24 C ATOM 1216 O GLY A 74 -7.457 -4.693 10.094 1.00 51.33 O ATOM 0 H GLY A 74 -8.434 -5.627 6.054 1.00 22.31 H new ATOM 0 HA2 GLY A 74 -7.311 -3.605 7.764 1.00 71.32 H new ATOM 0 HA3 GLY A 74 -8.969 -4.170 7.701 1.00 71.32 H new ATOM 1220 N SER A 75 -7.815 -6.610 8.916 1.00 15.02 N ATOM 1221 CA SER A 75 -7.666 -7.555 10.025 1.00 33.45 C ATOM 1222 C SER A 75 -7.433 -8.988 9.492 1.00 63.43 C ATOM 1223 O SER A 75 -7.619 -9.272 8.301 1.00 41.45 O ATOM 1224 CB SER A 75 -8.929 -7.498 10.918 1.00 4.14 C ATOM 1225 OG SER A 75 -10.109 -7.686 10.146 1.00 44.35 O ATOM 0 H SER A 75 -8.005 -7.067 8.024 1.00 15.02 H new ATOM 0 HA SER A 75 -6.796 -7.278 10.620 1.00 33.45 H new ATOM 0 HB2 SER A 75 -8.868 -8.266 11.689 1.00 4.14 H new ATOM 0 HB3 SER A 75 -8.974 -6.536 11.429 1.00 4.14 H new ATOM 0 HG SER A 75 -10.893 -7.648 10.732 1.00 44.35 H new ATOM 1231 N LEU A 76 -6.990 -9.857 10.401 1.00 2.20 N ATOM 1232 CA LEU A 76 -6.877 -11.317 10.221 1.00 50.20 C ATOM 1233 C LEU A 76 -7.414 -11.980 11.491 1.00 34.43 C ATOM 1234 O LEU A 76 -7.588 -11.305 12.510 1.00 62.22 O ATOM 1235 CB LEU A 76 -5.387 -11.734 9.994 1.00 41.13 C ATOM 1236 CG LEU A 76 -4.811 -11.501 8.564 1.00 5.03 C ATOM 1237 CD1 LEU A 76 -3.288 -11.669 8.542 1.00 50.31 C ATOM 1238 CD2 LEU A 76 -5.479 -12.437 7.534 1.00 33.43 C ATOM 0 H LEU A 76 -6.685 -9.556 11.326 1.00 2.20 H new ATOM 0 HA LEU A 76 -7.446 -11.631 9.346 1.00 50.20 H new ATOM 0 HB2 LEU A 76 -4.767 -11.187 10.705 1.00 41.13 H new ATOM 0 HB3 LEU A 76 -5.288 -12.793 10.233 1.00 41.13 H new ATOM 0 HG LEU A 76 -5.039 -10.473 8.284 1.00 5.03 H new ATOM 0 HD11 LEU A 76 -2.918 -11.500 7.531 1.00 50.31 H new ATOM 0 HD12 LEU A 76 -2.833 -10.948 9.220 1.00 50.31 H new ATOM 0 HD13 LEU A 76 -3.029 -12.679 8.859 1.00 50.31 H new ATOM 0 HD21 LEU A 76 -5.057 -12.251 6.546 1.00 33.43 H new ATOM 0 HD22 LEU A 76 -5.300 -13.475 7.816 1.00 33.43 H new ATOM 0 HD23 LEU A 76 -6.552 -12.247 7.512 1.00 33.43 H new ATOM 1250 N GLU A 77 -7.669 -13.291 11.435 1.00 74.01 N ATOM 1251 CA GLU A 77 -7.928 -14.089 12.641 1.00 44.41 C ATOM 1252 C GLU A 77 -6.593 -14.267 13.390 1.00 43.53 C ATOM 1253 O GLU A 77 -5.539 -14.369 12.737 1.00 63.44 O ATOM 1254 CB GLU A 77 -8.536 -15.460 12.252 1.00 64.30 C ATOM 1255 CG GLU A 77 -9.876 -15.362 11.491 1.00 50.30 C ATOM 1256 CD GLU A 77 -10.455 -16.734 11.093 1.00 55.53 C ATOM 1257 OE1 GLU A 77 -9.928 -17.349 10.143 1.00 72.52 O ATOM 1258 OE2 GLU A 77 -11.432 -17.201 11.720 1.00 5.53 O ATOM 0 H GLU A 77 -7.702 -13.824 10.566 1.00 74.01 H new ATOM 0 HA GLU A 77 -8.646 -13.584 13.288 1.00 44.41 H new ATOM 0 HB2 GLU A 77 -7.819 -16.002 11.635 1.00 64.30 H new ATOM 0 HB3 GLU A 77 -8.687 -16.049 13.157 1.00 64.30 H new ATOM 0 HG2 GLU A 77 -10.601 -14.836 12.113 1.00 50.30 H new ATOM 0 HG3 GLU A 77 -9.732 -14.762 10.592 1.00 50.30 H new ATOM 1265 N HIS A 78 -6.634 -14.282 14.735 1.00 30.11 N ATOM 1266 CA HIS A 78 -5.427 -14.400 15.573 1.00 10.10 C ATOM 1267 C HIS A 78 -4.707 -15.732 15.289 1.00 0.30 C ATOM 1268 O HIS A 78 -5.202 -16.801 15.660 1.00 40.44 O ATOM 1269 CB HIS A 78 -5.790 -14.269 17.076 1.00 40.11 C ATOM 1270 CG HIS A 78 -6.336 -12.915 17.469 1.00 3.22 C ATOM 1271 ND1 HIS A 78 -7.591 -12.725 18.018 1.00 55.15 N ATOM 1272 CD2 HIS A 78 -5.781 -11.679 17.401 1.00 52.11 C ATOM 1273 CE1 HIS A 78 -7.778 -11.444 18.259 1.00 24.41 C ATOM 1274 NE2 HIS A 78 -6.698 -10.789 17.897 1.00 12.22 N ATOM 0 H HIS A 78 -7.500 -14.213 15.269 1.00 30.11 H new ATOM 0 HA HIS A 78 -4.747 -13.586 15.322 1.00 10.10 H new ATOM 0 HB2 HIS A 78 -6.527 -15.032 17.327 1.00 40.11 H new ATOM 0 HB3 HIS A 78 -4.901 -14.476 17.672 1.00 40.11 H new ATOM 0 HD2 HIS A 78 -4.797 -11.440 17.025 1.00 52.11 H new ATOM 0 HE1 HIS A 78 -8.669 -11.005 18.683 1.00 24.41 H new ATOM 0 HE2 HIS A 78 -6.564 -9.781 17.973 1.00 12.22 H new ATOM 1283 N HIS A 79 -3.570 -15.634 14.572 1.00 12.31 N ATOM 1284 CA HIS A 79 -2.762 -16.787 14.126 1.00 0.33 C ATOM 1285 C HIS A 79 -2.310 -17.649 15.316 1.00 34.22 C ATOM 1286 O HIS A 79 -1.551 -17.177 16.172 1.00 51.11 O ATOM 1287 CB HIS A 79 -1.524 -16.296 13.322 1.00 3.00 C ATOM 1288 CG HIS A 79 -1.827 -15.723 11.957 1.00 24.43 C ATOM 1289 ND1 HIS A 79 -1.678 -16.450 10.799 1.00 45.21 N ATOM 1290 CD2 HIS A 79 -2.256 -14.498 11.559 1.00 23.32 C ATOM 1291 CE1 HIS A 79 -1.985 -15.709 9.764 1.00 73.53 C ATOM 1292 NE2 HIS A 79 -2.340 -14.518 10.188 1.00 61.14 N ATOM 0 H HIS A 79 -3.181 -14.737 14.282 1.00 12.31 H new ATOM 0 HA HIS A 79 -3.388 -17.404 13.481 1.00 0.33 H new ATOM 0 HB2 HIS A 79 -1.007 -15.537 13.910 1.00 3.00 H new ATOM 0 HB3 HIS A 79 -0.834 -17.131 13.202 1.00 3.00 H new ATOM 0 HD1 HIS A 79 -1.373 -17.422 10.753 1.00 45.21 H new ATOM 0 HD2 HIS A 79 -2.488 -13.662 12.202 1.00 23.32 H new ATOM 0 HE1 HIS A 79 -1.952 -16.025 8.732 1.00 73.53 H new ATOM 1301 N HIS A 80 -2.795 -18.909 15.379 1.00 62.44 N ATOM 1302 CA HIS A 80 -2.383 -19.862 16.426 1.00 41.24 C ATOM 1303 C HIS A 80 -0.951 -20.361 16.148 1.00 64.44 C ATOM 1304 O HIS A 80 -0.735 -21.431 15.564 1.00 53.40 O ATOM 1305 CB HIS A 80 -3.388 -21.034 16.553 1.00 23.35 C ATOM 1306 CG HIS A 80 -3.090 -21.980 17.694 1.00 64.32 C ATOM 1307 ND1 HIS A 80 -2.760 -23.309 17.514 1.00 65.30 N ATOM 1308 CD2 HIS A 80 -3.084 -21.778 19.037 1.00 32.41 C ATOM 1309 CE1 HIS A 80 -2.569 -23.876 18.688 1.00 5.32 C ATOM 1310 NE2 HIS A 80 -2.760 -22.974 19.626 1.00 34.25 N ATOM 0 H HIS A 80 -3.472 -19.287 14.716 1.00 62.44 H new ATOM 0 HA HIS A 80 -2.384 -19.347 17.386 1.00 41.24 H new ATOM 0 HB2 HIS A 80 -4.390 -20.627 16.685 1.00 23.35 H new ATOM 0 HB3 HIS A 80 -3.393 -21.597 15.620 1.00 23.35 H new ATOM 0 HD2 HIS A 80 -3.295 -20.849 19.546 1.00 32.41 H new ATOM 0 HE1 HIS A 80 -2.300 -24.909 18.853 1.00 5.32 H new ATOM 0 HE2 HIS A 80 -2.680 -23.137 20.630 1.00 34.25 H new ATOM 1319 N HIS A 81 0.005 -19.505 16.520 1.00 21.04 N ATOM 1320 CA HIS A 81 1.451 -19.728 16.406 1.00 22.44 C ATOM 1321 C HIS A 81 2.130 -18.905 17.500 1.00 74.01 C ATOM 1322 O HIS A 81 1.820 -17.716 17.660 1.00 5.11 O ATOM 1323 CB HIS A 81 2.003 -19.291 15.020 1.00 4.44 C ATOM 1324 CG HIS A 81 1.640 -20.192 13.865 1.00 34.43 C ATOM 1325 ND1 HIS A 81 1.001 -19.749 12.727 1.00 31.23 N ATOM 1326 CD2 HIS A 81 1.880 -21.511 13.660 1.00 10.03 C ATOM 1327 CE1 HIS A 81 0.860 -20.752 11.884 1.00 41.44 C ATOM 1328 NE2 HIS A 81 1.385 -21.826 12.424 1.00 12.35 N ATOM 0 H HIS A 81 -0.217 -18.597 16.927 1.00 21.04 H new ATOM 0 HA HIS A 81 1.655 -20.793 16.513 1.00 22.44 H new ATOM 0 HB2 HIS A 81 1.639 -18.287 14.803 1.00 4.44 H new ATOM 0 HB3 HIS A 81 3.089 -19.230 15.083 1.00 4.44 H new ATOM 0 HD2 HIS A 81 2.371 -22.187 14.345 1.00 10.03 H new ATOM 0 HE1 HIS A 81 0.391 -20.699 10.912 1.00 41.44 H new ATOM 0 HE2 HIS A 81 1.419 -22.749 11.991 1.00 12.35 H new ATOM 1337 N HIS A 82 3.037 -19.530 18.260 1.00 21.44 N ATOM 1338 CA HIS A 82 3.787 -18.840 19.321 1.00 41.52 C ATOM 1339 C HIS A 82 4.920 -18.006 18.695 1.00 64.31 C ATOM 1340 O HIS A 82 6.069 -18.461 18.602 1.00 22.15 O ATOM 1341 CB HIS A 82 4.320 -19.852 20.367 1.00 14.33 C ATOM 1342 CG HIS A 82 3.232 -20.592 21.121 1.00 42.12 C ATOM 1343 ND1 HIS A 82 2.634 -20.090 22.255 1.00 73.45 N ATOM 1344 CD2 HIS A 82 2.631 -21.792 20.894 1.00 20.41 C ATOM 1345 CE1 HIS A 82 1.724 -20.940 22.692 1.00 71.03 C ATOM 1346 NE2 HIS A 82 1.700 -21.982 21.888 1.00 55.13 N ATOM 0 H HIS A 82 3.272 -20.518 18.160 1.00 21.44 H new ATOM 0 HA HIS A 82 3.120 -18.161 19.851 1.00 41.52 H new ATOM 0 HB2 HIS A 82 4.957 -20.579 19.862 1.00 14.33 H new ATOM 0 HB3 HIS A 82 4.948 -19.322 21.083 1.00 14.33 H new ATOM 0 HD2 HIS A 82 2.846 -22.471 20.082 1.00 20.41 H new ATOM 0 HE1 HIS A 82 1.102 -20.803 23.564 1.00 71.03 H new ATOM 0 HE2 HIS A 82 1.092 -22.795 21.986 1.00 55.13 H new ATOM 1355 N HIS A 83 4.559 -16.808 18.189 1.00 22.41 N ATOM 1356 CA HIS A 83 5.494 -15.902 17.496 1.00 2.25 C ATOM 1357 C HIS A 83 6.249 -15.011 18.528 1.00 50.15 C ATOM 1358 O HIS A 83 5.714 -13.966 18.959 1.00 12.55 O ATOM 1359 CB HIS A 83 4.759 -15.079 16.385 1.00 63.20 C ATOM 1360 CG HIS A 83 3.529 -14.303 16.813 1.00 5.33 C ATOM 1361 ND1 HIS A 83 3.578 -12.989 17.226 1.00 25.12 N ATOM 1362 CD2 HIS A 83 2.212 -14.643 16.857 1.00 23.24 C ATOM 1363 CE1 HIS A 83 2.363 -12.562 17.496 1.00 34.13 C ATOM 1364 NE2 HIS A 83 1.515 -13.540 17.281 1.00 0.33 N ATOM 1365 OXT HIS A 83 7.373 -15.386 18.924 1.00 37.35 O ATOM 0 H HIS A 83 3.609 -16.443 18.251 1.00 22.41 H new ATOM 0 HA HIS A 83 6.251 -16.493 16.979 1.00 2.25 H new ATOM 0 HB2 HIS A 83 5.472 -14.376 15.955 1.00 63.20 H new ATOM 0 HB3 HIS A 83 4.468 -15.765 15.589 1.00 63.20 H new ATOM 0 HD2 HIS A 83 1.792 -15.605 16.604 1.00 23.24 H new ATOM 0 HE1 HIS A 83 2.106 -11.570 17.838 1.00 34.13 H new ATOM 0 HE2 HIS A 83 0.504 -13.489 17.408 1.00 0.33 H new TER 1374 HIS A 83