USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 648 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 ASN : amide:sc= -2.66! C(o=-4.6!,f=-4.7!) USER MOD Set 1.2: A 41 MET CE :methyl -110:sc= -1.92 (180deg=-4.96!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 178:sc= -0.922 (180deg=-0.932) USER MOD Single : A 13 ASN : amide:sc= -3.7! K(o=-3.7!,f=-0.15) USER MOD Single : A 16 MET CE :methyl -127:sc= -0.239 (180deg=-1.02) USER MOD Single : A 20 LYS NZ :NH3+ -159:sc= -0.0483 (180deg=-0.313) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0282 K(o=-0.028,f=-0.95) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 34 HIS : no HD1:sc= -4.45! C(o=-4.4!,f=-3.1!) USER MOD Single : A 35 ASN : amide:sc= -0.552 X(o=-0.55,f=-0.054) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0931) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0.865 K(o=0.87,f=-0.0013) USER MOD Single : A 68 HIS : no HD1:sc= -3.76! C(o=-3.8!,f=-5!) USER MOD Single : A 69 MET CE :methyl 147:sc= -3.24! (180deg=-5.76!) USER MOD Single : A 70 GLN : amide:sc= -2.21 K(o=-2.2,f=-7.4!) USER MOD Single : A 72 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.018) USER MOD Single : A 74 ASN : amide:sc= -0.609 K(o=-0.61,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 37:sc= 0.111 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.610 -15.055 -12.967 1.00 0.00 N ATOM 2 CA GLY A 1 7.532 -14.242 -13.500 1.00 0.00 C ATOM 3 C GLY A 1 7.278 -13.000 -12.670 1.00 0.00 C ATOM 4 O GLY A 1 6.139 -12.713 -12.301 1.00 0.00 O ATOM 0 H1 GLY A 1 8.744 -15.892 -13.570 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.488 -14.498 -12.947 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.371 -15.359 -12.001 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.773 -13.949 -14.522 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.620 -14.838 -13.546 1.00 0.00 H new ATOM 8 N SER A 2 8.342 -12.260 -12.373 1.00 0.00 N ATOM 9 CA SER A 2 8.229 -11.044 -11.576 1.00 0.00 C ATOM 10 C SER A 2 9.369 -10.081 -11.892 1.00 0.00 C ATOM 11 O SER A 2 10.489 -10.500 -12.185 1.00 0.00 O ATOM 12 CB SER A 2 8.232 -11.384 -10.085 1.00 0.00 C ATOM 13 OG SER A 2 9.431 -12.044 -9.715 1.00 0.00 O ATOM 0 H SER A 2 9.292 -12.481 -12.672 1.00 0.00 H new ATOM 0 HA SER A 2 7.286 -10.559 -11.828 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.120 -10.471 -9.500 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.377 -12.018 -9.852 1.00 0.00 H new ATOM 0 HG SER A 2 9.409 -12.249 -8.757 1.00 0.00 H new ATOM 19 N SER A 3 9.076 -8.786 -11.830 1.00 0.00 N ATOM 20 CA SER A 3 10.074 -7.761 -12.113 1.00 0.00 C ATOM 21 C SER A 3 10.384 -6.944 -10.862 1.00 0.00 C ATOM 22 O SER A 3 9.617 -6.947 -9.899 1.00 0.00 O ATOM 23 CB SER A 3 9.585 -6.837 -13.230 1.00 0.00 C ATOM 24 OG SER A 3 9.388 -7.555 -14.436 1.00 0.00 O ATOM 0 H SER A 3 8.155 -8.422 -11.586 1.00 0.00 H new ATOM 0 HA SER A 3 10.988 -8.259 -12.437 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.652 -6.361 -12.930 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.311 -6.041 -13.392 1.00 0.00 H new ATOM 0 HG SER A 3 9.074 -6.943 -15.134 1.00 0.00 H new ATOM 30 N GLY A 4 11.515 -6.246 -10.884 1.00 0.00 N ATOM 31 CA GLY A 4 11.907 -5.434 -9.746 1.00 0.00 C ATOM 32 C GLY A 4 11.294 -4.048 -9.784 1.00 0.00 C ATOM 33 O GLY A 4 10.072 -3.902 -9.753 1.00 0.00 O ATOM 0 H GLY A 4 12.167 -6.228 -11.669 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.608 -5.935 -8.826 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.993 -5.347 -9.723 1.00 0.00 H new ATOM 37 N SER A 5 12.144 -3.028 -9.848 1.00 0.00 N ATOM 38 CA SER A 5 11.678 -1.647 -9.884 1.00 0.00 C ATOM 39 C SER A 5 11.565 -1.149 -11.321 1.00 0.00 C ATOM 40 O SER A 5 12.571 -0.889 -11.981 1.00 0.00 O ATOM 41 CB SER A 5 12.629 -0.746 -9.093 1.00 0.00 C ATOM 42 OG SER A 5 12.650 -1.105 -7.722 1.00 0.00 O ATOM 0 H SER A 5 13.158 -3.132 -9.876 1.00 0.00 H new ATOM 0 HA SER A 5 10.689 -1.611 -9.427 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.634 -0.821 -9.507 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.319 0.294 -9.195 1.00 0.00 H new ATOM 0 HG SER A 5 13.266 -0.516 -7.239 1.00 0.00 H new ATOM 48 N SER A 6 10.332 -1.017 -11.800 1.00 0.00 N ATOM 49 CA SER A 6 10.085 -0.554 -13.160 1.00 0.00 C ATOM 50 C SER A 6 9.395 0.807 -13.154 1.00 0.00 C ATOM 51 O SER A 6 9.376 1.510 -14.163 1.00 0.00 O ATOM 52 CB SER A 6 9.229 -1.569 -13.920 1.00 0.00 C ATOM 53 OG SER A 6 8.119 -1.983 -13.143 1.00 0.00 O ATOM 0 H SER A 6 9.488 -1.224 -11.266 1.00 0.00 H new ATOM 0 HA SER A 6 11.047 -0.452 -13.663 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.879 -1.128 -14.853 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.835 -2.435 -14.184 1.00 0.00 H new ATOM 0 HG SER A 6 7.587 -2.630 -13.651 1.00 0.00 H new ATOM 59 N GLY A 7 8.829 1.171 -12.007 1.00 0.00 N ATOM 60 CA GLY A 7 8.145 2.446 -11.890 1.00 0.00 C ATOM 61 C GLY A 7 6.720 2.296 -11.394 1.00 0.00 C ATOM 62 O GLY A 7 6.207 1.181 -11.289 1.00 0.00 O ATOM 0 H GLY A 7 8.832 0.606 -11.158 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.698 3.090 -11.207 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.138 2.942 -12.861 1.00 0.00 H new ATOM 66 N ILE A 8 6.081 3.419 -11.088 1.00 0.00 N ATOM 67 CA ILE A 8 4.707 3.407 -10.600 1.00 0.00 C ATOM 68 C ILE A 8 3.749 3.979 -11.640 1.00 0.00 C ATOM 69 O ILE A 8 3.617 5.195 -11.774 1.00 0.00 O ATOM 70 CB ILE A 8 4.567 4.210 -9.293 1.00 0.00 C ATOM 71 CG1 ILE A 8 5.471 3.622 -8.208 1.00 0.00 C ATOM 72 CG2 ILE A 8 3.117 4.224 -8.833 1.00 0.00 C ATOM 73 CD1 ILE A 8 6.884 4.158 -8.242 1.00 0.00 C ATOM 0 H ILE A 8 6.492 4.349 -11.169 1.00 0.00 H new ATOM 0 HA ILE A 8 4.450 2.366 -10.407 1.00 0.00 H new ATOM 0 HB ILE A 8 4.878 5.238 -9.480 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.035 3.831 -7.231 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.500 2.538 -8.319 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.034 4.795 -7.908 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.496 4.685 -9.601 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.780 3.202 -8.659 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.467 3.697 -7.445 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.338 3.925 -9.205 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.867 5.239 -8.101 1.00 0.00 H new ATOM 85 N ARG A 9 3.083 3.092 -12.372 1.00 0.00 N ATOM 86 CA ARG A 9 2.136 3.508 -13.400 1.00 0.00 C ATOM 87 C ARG A 9 0.991 4.313 -12.791 1.00 0.00 C ATOM 88 O ARG A 9 0.820 5.494 -13.094 1.00 0.00 O ATOM 89 CB ARG A 9 1.581 2.287 -14.136 1.00 0.00 C ATOM 90 CG ARG A 9 2.656 1.399 -14.740 1.00 0.00 C ATOM 91 CD ARG A 9 3.238 2.010 -16.004 1.00 0.00 C ATOM 92 NE ARG A 9 4.072 1.062 -16.737 1.00 0.00 N ATOM 93 CZ ARG A 9 5.355 0.848 -16.465 1.00 0.00 C ATOM 94 NH1 ARG A 9 5.947 1.511 -15.482 1.00 0.00 N ATOM 95 NH2 ARG A 9 6.048 -0.032 -17.177 1.00 0.00 N ATOM 0 H ARG A 9 3.181 2.082 -12.273 1.00 0.00 H new ATOM 0 HA ARG A 9 2.665 4.143 -14.111 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.982 1.697 -13.443 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.913 2.624 -14.928 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.451 1.242 -14.011 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.235 0.420 -14.968 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.427 2.352 -16.647 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.830 2.887 -15.743 1.00 0.00 H new ATOM 0 HE ARG A 9 3.647 0.535 -17.500 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.418 2.188 -14.932 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.932 1.345 -15.275 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.596 -0.545 -17.934 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.033 -0.195 -16.967 1.00 0.00 H new ATOM 109 N ARG A 10 0.210 3.665 -11.933 1.00 0.00 N ATOM 110 CA ARG A 10 -0.919 4.319 -11.284 1.00 0.00 C ATOM 111 C ARG A 10 -0.683 4.446 -9.781 1.00 0.00 C ATOM 112 O ARG A 10 -0.017 3.618 -9.161 1.00 0.00 O ATOM 113 CB ARG A 10 -2.208 3.537 -11.544 1.00 0.00 C ATOM 114 CG ARG A 10 -2.493 3.306 -13.019 1.00 0.00 C ATOM 115 CD ARG A 10 -2.143 4.529 -13.852 1.00 0.00 C ATOM 116 NE ARG A 10 -2.892 4.571 -15.105 1.00 0.00 N ATOM 117 CZ ARG A 10 -2.541 3.896 -16.194 1.00 0.00 C ATOM 118 NH1 ARG A 10 -1.457 3.132 -16.184 1.00 0.00 N ATOM 119 NH2 ARG A 10 -3.274 3.985 -17.296 1.00 0.00 N ATOM 0 H ARG A 10 0.339 2.688 -11.671 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.018 5.319 -11.705 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.146 2.573 -11.039 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.046 4.076 -11.101 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.920 2.448 -13.371 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.547 3.062 -13.153 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.350 5.431 -13.276 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.075 4.527 -14.068 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.731 5.150 -15.146 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.890 3.062 -15.339 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.190 2.615 -17.022 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.108 4.572 -17.308 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.004 3.466 -18.132 1.00 0.00 H new ATOM 133 N PRO A 11 -1.242 5.508 -9.182 1.00 0.00 N ATOM 134 CA PRO A 11 -1.106 5.769 -7.746 1.00 0.00 C ATOM 135 C PRO A 11 -1.877 4.763 -6.899 1.00 0.00 C ATOM 136 O PRO A 11 -2.374 3.760 -7.409 1.00 0.00 O ATOM 137 CB PRO A 11 -1.699 7.171 -7.583 1.00 0.00 C ATOM 138 CG PRO A 11 -2.647 7.317 -8.723 1.00 0.00 C ATOM 139 CD PRO A 11 -2.049 6.536 -9.861 1.00 0.00 C ATOM 0 HA PRO A 11 -0.071 5.687 -7.413 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.211 7.275 -6.627 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.922 7.935 -7.614 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.633 6.933 -8.462 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.774 8.365 -8.993 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.819 6.091 -10.491 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.436 7.168 -10.504 1.00 0.00 H new ATOM 147 N MET A 12 -1.973 5.038 -5.602 1.00 0.00 N ATOM 148 CA MET A 12 -2.685 4.157 -4.685 1.00 0.00 C ATOM 149 C MET A 12 -3.316 4.952 -3.546 1.00 0.00 C ATOM 150 O MET A 12 -2.819 6.013 -3.168 1.00 0.00 O ATOM 151 CB MET A 12 -1.735 3.099 -4.119 1.00 0.00 C ATOM 152 CG MET A 12 -0.608 2.725 -5.067 1.00 0.00 C ATOM 153 SD MET A 12 0.166 1.153 -4.641 1.00 0.00 S ATOM 154 CE MET A 12 0.914 1.560 -3.065 1.00 0.00 C ATOM 0 H MET A 12 -1.566 5.864 -5.163 1.00 0.00 H new ATOM 0 HA MET A 12 -3.480 3.661 -5.242 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.307 3.468 -3.187 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.306 2.203 -3.875 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.997 2.670 -6.084 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.146 3.512 -5.056 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.402 0.676 -2.655 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.652 2.350 -3.206 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.144 1.902 -2.374 1.00 0.00 H new ATOM 164 N ASN A 13 -4.412 4.433 -3.004 1.00 0.00 N ATOM 165 CA ASN A 13 -5.111 5.095 -1.908 1.00 0.00 C ATOM 166 C ASN A 13 -4.603 4.598 -0.559 1.00 0.00 C ATOM 167 O ASN A 13 -3.680 3.787 -0.492 1.00 0.00 O ATOM 168 CB ASN A 13 -6.618 4.857 -2.018 1.00 0.00 C ATOM 169 CG ASN A 13 -6.947 3.529 -2.674 1.00 0.00 C ATOM 170 OD1 ASN A 13 -7.062 3.440 -3.896 1.00 0.00 O ATOM 171 ND2 ASN A 13 -7.099 2.490 -1.861 1.00 0.00 N ATOM 0 H ASN A 13 -4.836 3.556 -3.306 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.913 6.165 -1.978 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.062 4.887 -1.023 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.070 5.665 -2.593 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.320 1.571 -2.244 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.994 2.611 -0.854 1.00 0.00 H new ATOM 178 N ALA A 14 -5.213 5.089 0.515 1.00 0.00 N ATOM 179 CA ALA A 14 -4.825 4.692 1.863 1.00 0.00 C ATOM 180 C ALA A 14 -4.967 3.186 2.054 1.00 0.00 C ATOM 181 O ALA A 14 -4.124 2.548 2.685 1.00 0.00 O ATOM 182 CB ALA A 14 -5.660 5.438 2.893 1.00 0.00 C ATOM 0 H ALA A 14 -5.978 5.763 0.478 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.776 4.952 2.004 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.360 5.132 3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.505 6.511 2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.715 5.206 2.743 1.00 0.00 H new ATOM 188 N PHE A 15 -6.039 2.623 1.506 1.00 0.00 N ATOM 189 CA PHE A 15 -6.292 1.191 1.618 1.00 0.00 C ATOM 190 C PHE A 15 -5.269 0.393 0.815 1.00 0.00 C ATOM 191 O PHE A 15 -4.696 -0.577 1.310 1.00 0.00 O ATOM 192 CB PHE A 15 -7.706 0.862 1.134 1.00 0.00 C ATOM 193 CG PHE A 15 -7.881 -0.572 0.725 1.00 0.00 C ATOM 194 CD1 PHE A 15 -7.548 -0.987 -0.555 1.00 0.00 C ATOM 195 CD2 PHE A 15 -8.377 -1.506 1.620 1.00 0.00 C ATOM 196 CE1 PHE A 15 -7.709 -2.306 -0.934 1.00 0.00 C ATOM 197 CE2 PHE A 15 -8.539 -2.827 1.246 1.00 0.00 C ATOM 198 CZ PHE A 15 -8.204 -3.228 -0.032 1.00 0.00 C ATOM 0 H PHE A 15 -6.746 3.136 0.980 1.00 0.00 H new ATOM 0 HA PHE A 15 -6.201 0.913 2.668 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.416 1.094 1.928 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.951 1.505 0.289 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.158 -0.271 -1.264 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.640 -1.199 2.621 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.448 -2.616 -1.935 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.927 -3.545 1.953 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.329 -4.260 -0.326 1.00 0.00 H new ATOM 208 N MET A 16 -5.045 0.810 -0.427 1.00 0.00 N ATOM 209 CA MET A 16 -4.091 0.136 -1.299 1.00 0.00 C ATOM 210 C MET A 16 -2.701 0.116 -0.671 1.00 0.00 C ATOM 211 O MET A 16 -2.087 -0.942 -0.531 1.00 0.00 O ATOM 212 CB MET A 16 -4.037 0.826 -2.663 1.00 0.00 C ATOM 213 CG MET A 16 -5.207 0.474 -3.568 1.00 0.00 C ATOM 214 SD MET A 16 -4.927 -1.038 -4.509 1.00 0.00 S ATOM 215 CE MET A 16 -3.557 -0.540 -5.550 1.00 0.00 C ATOM 0 H MET A 16 -5.511 1.612 -0.852 1.00 0.00 H new ATOM 0 HA MET A 16 -4.425 -0.893 -1.434 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.015 1.906 -2.514 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.107 0.554 -3.162 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.107 0.360 -2.964 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.389 1.298 -4.258 1.00 0.00 H new ATOM 0 HE1 MET A 16 -3.801 -0.742 -6.593 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.370 0.526 -5.421 1.00 0.00 H new ATOM 0 HE3 MET A 16 -2.665 -1.101 -5.271 1.00 0.00 H new ATOM 225 N VAL A 17 -2.209 1.292 -0.295 1.00 0.00 N ATOM 226 CA VAL A 17 -0.892 1.409 0.319 1.00 0.00 C ATOM 227 C VAL A 17 -0.737 0.434 1.480 1.00 0.00 C ATOM 228 O VAL A 17 0.108 -0.461 1.444 1.00 0.00 O ATOM 229 CB VAL A 17 -0.635 2.841 0.827 1.00 0.00 C ATOM 230 CG1 VAL A 17 0.731 2.935 1.491 1.00 0.00 C ATOM 231 CG2 VAL A 17 -0.753 3.840 -0.313 1.00 0.00 C ATOM 0 H VAL A 17 -2.703 2.178 -0.405 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.161 1.168 -0.453 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.392 3.085 1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.895 3.953 1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.773 2.247 2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.505 2.672 0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.568 4.846 0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.020 3.601 -1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.755 3.790 -0.738 1.00 0.00 H new ATOM 241 N TRP A 18 -1.559 0.612 2.508 1.00 0.00 N ATOM 242 CA TRP A 18 -1.514 -0.253 3.681 1.00 0.00 C ATOM 243 C TRP A 18 -1.638 -1.719 3.281 1.00 0.00 C ATOM 244 O TRP A 18 -1.177 -2.609 3.996 1.00 0.00 O ATOM 245 CB TRP A 18 -2.632 0.118 4.657 1.00 0.00 C ATOM 246 CG TRP A 18 -3.045 -1.016 5.546 1.00 0.00 C ATOM 247 CD1 TRP A 18 -2.630 -1.248 6.826 1.00 0.00 C ATOM 248 CD2 TRP A 18 -3.955 -2.073 5.219 1.00 0.00 C ATOM 249 NE1 TRP A 18 -3.226 -2.386 7.315 1.00 0.00 N ATOM 250 CE2 TRP A 18 -4.044 -2.910 6.349 1.00 0.00 C ATOM 251 CE3 TRP A 18 -4.704 -2.393 4.084 1.00 0.00 C ATOM 252 CZ2 TRP A 18 -4.850 -4.044 6.373 1.00 0.00 C ATOM 253 CZ3 TRP A 18 -5.504 -3.519 4.109 1.00 0.00 C ATOM 254 CH2 TRP A 18 -5.573 -4.333 5.247 1.00 0.00 C ATOM 0 H TRP A 18 -2.264 1.347 2.553 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.551 -0.109 4.171 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.303 0.953 5.275 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.499 0.462 4.092 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.935 -0.628 7.374 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.083 -2.777 8.246 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.658 -1.771 3.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.903 -4.674 7.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.086 -3.776 3.236 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.209 -5.206 5.236 1.00 0.00 H new ATOM 265 N ALA A 19 -2.263 -1.964 2.134 1.00 0.00 N ATOM 266 CA ALA A 19 -2.446 -3.323 1.638 1.00 0.00 C ATOM 267 C ALA A 19 -1.182 -3.831 0.952 1.00 0.00 C ATOM 268 O ALA A 19 -0.851 -5.014 1.035 1.00 0.00 O ATOM 269 CB ALA A 19 -3.628 -3.382 0.683 1.00 0.00 C ATOM 0 H ALA A 19 -2.651 -1.239 1.531 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.651 -3.970 2.491 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.753 -4.402 0.321 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.533 -3.069 1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.447 -2.717 -0.161 1.00 0.00 H new ATOM 275 N LYS A 20 -0.480 -2.930 0.273 1.00 0.00 N ATOM 276 CA LYS A 20 0.748 -3.286 -0.428 1.00 0.00 C ATOM 277 C LYS A 20 1.590 -4.248 0.404 1.00 0.00 C ATOM 278 O LYS A 20 2.262 -5.126 -0.137 1.00 0.00 O ATOM 279 CB LYS A 20 1.559 -2.028 -0.748 1.00 0.00 C ATOM 280 CG LYS A 20 2.497 -1.608 0.370 1.00 0.00 C ATOM 281 CD LYS A 20 2.711 -0.104 0.382 1.00 0.00 C ATOM 282 CE LYS A 20 3.805 0.312 -0.589 1.00 0.00 C ATOM 283 NZ LYS A 20 5.150 -0.136 -0.134 1.00 0.00 N ATOM 0 H LYS A 20 -0.741 -1.947 0.193 1.00 0.00 H new ATOM 0 HA LYS A 20 0.475 -3.782 -1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.141 -2.202 -1.653 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.873 -1.209 -0.962 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.087 -1.926 1.329 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.456 -2.112 0.250 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.780 0.399 0.120 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.975 0.219 1.389 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.596 -0.108 -1.573 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.801 1.397 -0.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.882 0.441 -0.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.221 -0.028 0.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.287 -1.135 -0.387 1.00 0.00 H new ATOM 297 N ASP A 21 1.548 -4.078 1.720 1.00 0.00 N ATOM 298 CA ASP A 21 2.305 -4.933 2.627 1.00 0.00 C ATOM 299 C ASP A 21 1.461 -6.117 3.088 1.00 0.00 C ATOM 300 O ASP A 21 1.908 -7.263 3.047 1.00 0.00 O ATOM 301 CB ASP A 21 2.786 -4.131 3.837 1.00 0.00 C ATOM 302 CG ASP A 21 3.845 -4.866 4.635 1.00 0.00 C ATOM 303 OD1 ASP A 21 3.473 -5.677 5.509 1.00 0.00 O ATOM 304 OD2 ASP A 21 5.045 -4.630 4.386 1.00 0.00 O ATOM 0 H ASP A 21 0.997 -3.355 2.183 1.00 0.00 H new ATOM 0 HA ASP A 21 3.172 -5.316 2.088 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.188 -3.175 3.500 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.937 -3.910 4.483 1.00 0.00 H new ATOM 309 N GLU A 22 0.240 -5.831 3.529 1.00 0.00 N ATOM 310 CA GLU A 22 -0.665 -6.873 4.000 1.00 0.00 C ATOM 311 C GLU A 22 -0.880 -7.934 2.924 1.00 0.00 C ATOM 312 O GLU A 22 -0.612 -9.116 3.141 1.00 0.00 O ATOM 313 CB GLU A 22 -2.009 -6.266 4.409 1.00 0.00 C ATOM 314 CG GLU A 22 -2.061 -5.826 5.862 1.00 0.00 C ATOM 315 CD GLU A 22 -0.706 -5.393 6.389 1.00 0.00 C ATOM 316 OE1 GLU A 22 -0.240 -4.302 6.000 1.00 0.00 O ATOM 317 OE2 GLU A 22 -0.113 -6.145 7.190 1.00 0.00 O ATOM 0 H GLU A 22 -0.145 -4.887 3.570 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.210 -7.348 4.869 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.220 -5.408 3.771 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.798 -6.997 4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.767 -5.001 5.963 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.439 -6.646 6.473 1.00 0.00 H new ATOM 324 N ARG A 23 -1.366 -7.503 1.765 1.00 0.00 N ATOM 325 CA ARG A 23 -1.619 -8.415 0.656 1.00 0.00 C ATOM 326 C ARG A 23 -0.518 -9.466 0.554 1.00 0.00 C ATOM 327 O ARG A 23 -0.793 -10.656 0.398 1.00 0.00 O ATOM 328 CB ARG A 23 -1.721 -7.638 -0.658 1.00 0.00 C ATOM 329 CG ARG A 23 -2.223 -8.475 -1.823 1.00 0.00 C ATOM 330 CD ARG A 23 -2.125 -7.716 -3.138 1.00 0.00 C ATOM 331 NE ARG A 23 -3.341 -6.961 -3.426 1.00 0.00 N ATOM 332 CZ ARG A 23 -3.588 -5.751 -2.937 1.00 0.00 C ATOM 333 NH1 ARG A 23 -2.707 -5.162 -2.140 1.00 0.00 N ATOM 334 NH2 ARG A 23 -4.718 -5.127 -3.246 1.00 0.00 N ATOM 0 H ARG A 23 -1.593 -6.528 1.569 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.565 -8.922 0.844 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.390 -6.789 -0.517 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.740 -7.234 -0.908 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.642 -9.395 -1.888 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.259 -8.764 -1.645 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.275 -7.034 -3.101 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.934 -8.419 -3.949 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.039 -7.386 -4.036 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.837 -5.638 -1.901 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.899 -4.233 -1.766 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.398 -5.577 -3.859 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.907 -4.198 -2.870 1.00 0.00 H new ATOM 348 N LYS A 24 0.730 -9.018 0.643 1.00 0.00 N ATOM 349 CA LYS A 24 1.874 -9.919 0.562 1.00 0.00 C ATOM 350 C LYS A 24 1.657 -11.154 1.430 1.00 0.00 C ATOM 351 O LYS A 24 1.877 -12.281 0.988 1.00 0.00 O ATOM 352 CB LYS A 24 3.150 -9.195 0.996 1.00 0.00 C ATOM 353 CG LYS A 24 3.436 -7.934 0.199 1.00 0.00 C ATOM 354 CD LYS A 24 3.970 -8.259 -1.186 1.00 0.00 C ATOM 355 CE LYS A 24 5.396 -8.782 -1.125 1.00 0.00 C ATOM 356 NZ LYS A 24 5.955 -9.029 -2.483 1.00 0.00 N ATOM 0 H LYS A 24 0.975 -8.036 0.771 1.00 0.00 H new ATOM 0 HA LYS A 24 1.980 -10.240 -0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.070 -8.937 2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.995 -9.876 0.898 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.524 -7.345 0.109 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.160 -7.320 0.735 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.329 -9.003 -1.659 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.935 -7.365 -1.809 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.024 -8.063 -0.599 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.419 -9.707 -0.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.929 -9.385 -2.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.371 -9.734 -2.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.957 -8.141 -3.024 1.00 0.00 H new ATOM 370 N ARG A 25 1.223 -10.933 2.667 1.00 0.00 N ATOM 371 CA ARG A 25 0.975 -12.029 3.596 1.00 0.00 C ATOM 372 C ARG A 25 -0.148 -12.929 3.090 1.00 0.00 C ATOM 373 O ARG A 25 -0.157 -14.133 3.348 1.00 0.00 O ATOM 374 CB ARG A 25 0.620 -11.482 4.980 1.00 0.00 C ATOM 375 CG ARG A 25 -0.869 -11.256 5.182 1.00 0.00 C ATOM 376 CD ARG A 25 -1.133 -10.120 6.158 1.00 0.00 C ATOM 377 NE ARG A 25 -0.977 -10.545 7.547 1.00 0.00 N ATOM 378 CZ ARG A 25 -1.856 -11.312 8.184 1.00 0.00 C ATOM 379 NH1 ARG A 25 -2.946 -11.735 7.560 1.00 0.00 N ATOM 380 NH2 ARG A 25 -1.644 -11.656 9.448 1.00 0.00 N ATOM 0 H ARG A 25 1.036 -10.006 3.049 1.00 0.00 H new ATOM 0 HA ARG A 25 1.887 -12.622 3.669 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.980 -12.177 5.739 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.146 -10.540 5.135 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.337 -11.030 4.224 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.330 -12.171 5.554 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.448 -9.298 5.951 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.143 -9.739 6.007 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.148 -10.236 8.056 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.112 -11.472 6.589 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.619 -12.324 8.051 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.806 -11.332 9.931 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.319 -12.245 9.936 1.00 0.00 H new ATOM 394 N LEU A 26 -1.094 -12.337 2.369 1.00 0.00 N ATOM 395 CA LEU A 26 -2.223 -13.084 1.826 1.00 0.00 C ATOM 396 C LEU A 26 -1.768 -14.030 0.720 1.00 0.00 C ATOM 397 O LEU A 26 -2.181 -15.189 0.671 1.00 0.00 O ATOM 398 CB LEU A 26 -3.284 -12.123 1.287 1.00 0.00 C ATOM 399 CG LEU A 26 -3.748 -11.028 2.248 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.921 -10.261 1.657 1.00 0.00 C ATOM 401 CD2 LEU A 26 -4.122 -11.624 3.596 1.00 0.00 C ATOM 0 H LEU A 26 -1.101 -11.342 2.147 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.655 -13.678 2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.892 -11.647 0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.154 -12.706 0.985 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.924 -10.331 2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.238 -9.486 2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.618 -9.801 0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.749 -10.946 1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.450 -10.830 4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.930 -12.344 3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.255 -12.126 4.025 1.00 0.00 H new ATOM 413 N ALA A 27 -0.914 -13.529 -0.166 1.00 0.00 N ATOM 414 CA ALA A 27 -0.399 -14.331 -1.270 1.00 0.00 C ATOM 415 C ALA A 27 0.268 -15.604 -0.759 1.00 0.00 C ATOM 416 O ALA A 27 -0.026 -16.701 -1.231 1.00 0.00 O ATOM 417 CB ALA A 27 0.580 -13.517 -2.102 1.00 0.00 C ATOM 0 H ALA A 27 -0.564 -12.571 -0.141 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.240 -14.620 -1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.956 -14.128 -2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.073 -12.640 -2.505 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.413 -13.198 -1.475 1.00 0.00 H new ATOM 423 N GLN A 28 1.167 -15.448 0.207 1.00 0.00 N ATOM 424 CA GLN A 28 1.877 -16.586 0.780 1.00 0.00 C ATOM 425 C GLN A 28 0.919 -17.499 1.538 1.00 0.00 C ATOM 426 O GLN A 28 1.086 -18.718 1.545 1.00 0.00 O ATOM 427 CB GLN A 28 2.987 -16.103 1.715 1.00 0.00 C ATOM 428 CG GLN A 28 2.487 -15.227 2.853 1.00 0.00 C ATOM 429 CD GLN A 28 3.394 -15.272 4.066 1.00 0.00 C ATOM 430 OE1 GLN A 28 4.530 -15.742 3.990 1.00 0.00 O ATOM 431 NE2 GLN A 28 2.897 -14.783 5.196 1.00 0.00 N ATOM 0 H GLN A 28 1.421 -14.546 0.609 1.00 0.00 H new ATOM 0 HA GLN A 28 2.322 -17.154 -0.037 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.501 -16.969 2.133 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.722 -15.546 1.135 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.404 -14.198 2.504 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.486 -15.548 3.141 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.951 -14.403 5.215 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.462 -14.787 6.045 1.00 0.00 H new ATOM 440 N GLN A 29 -0.082 -16.901 2.175 1.00 0.00 N ATOM 441 CA GLN A 29 -1.066 -17.662 2.936 1.00 0.00 C ATOM 442 C GLN A 29 -2.014 -18.410 2.006 1.00 0.00 C ATOM 443 O GLN A 29 -2.492 -19.495 2.334 1.00 0.00 O ATOM 444 CB GLN A 29 -1.861 -16.732 3.855 1.00 0.00 C ATOM 445 CG GLN A 29 -1.245 -16.567 5.235 1.00 0.00 C ATOM 446 CD GLN A 29 -2.028 -15.610 6.112 1.00 0.00 C ATOM 447 OE1 GLN A 29 -1.516 -14.570 6.527 1.00 0.00 O ATOM 448 NE2 GLN A 29 -3.277 -15.958 6.400 1.00 0.00 N ATOM 0 H GLN A 29 -0.233 -15.892 2.179 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.532 -18.393 3.544 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.943 -15.753 3.384 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.874 -17.120 3.963 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.191 -17.540 5.723 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.222 -16.205 5.131 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.661 -16.829 6.034 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.852 -15.354 6.987 1.00 0.00 H new ATOM 457 N ASN A 30 -2.282 -17.823 0.844 1.00 0.00 N ATOM 458 CA ASN A 30 -3.174 -18.434 -0.134 1.00 0.00 C ATOM 459 C ASN A 30 -2.560 -18.396 -1.530 1.00 0.00 C ATOM 460 O ASN A 30 -2.851 -17.514 -2.339 1.00 0.00 O ATOM 461 CB ASN A 30 -4.526 -17.718 -0.139 1.00 0.00 C ATOM 462 CG ASN A 30 -5.223 -17.788 1.206 1.00 0.00 C ATOM 463 OD1 ASN A 30 -5.556 -18.871 1.690 1.00 0.00 O ATOM 464 ND2 ASN A 30 -5.448 -16.631 1.817 1.00 0.00 N ATOM 0 H ASN A 30 -1.894 -16.925 0.557 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.323 -19.476 0.149 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.380 -16.674 -0.415 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.167 -18.163 -0.901 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.914 -16.616 2.724 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.155 -15.758 1.379 1.00 0.00 H new ATOM 471 N PRO A 31 -1.690 -19.374 -1.820 1.00 0.00 N ATOM 472 CA PRO A 31 -1.017 -19.475 -3.119 1.00 0.00 C ATOM 473 C PRO A 31 -1.976 -19.861 -4.240 1.00 0.00 C ATOM 474 O PRO A 31 -1.594 -19.904 -5.410 1.00 0.00 O ATOM 475 CB PRO A 31 0.018 -20.580 -2.897 1.00 0.00 C ATOM 476 CG PRO A 31 -0.542 -21.407 -1.792 1.00 0.00 C ATOM 477 CD PRO A 31 -1.296 -20.457 -0.904 1.00 0.00 C ATOM 0 HA PRO A 31 -0.585 -18.524 -3.429 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.164 -21.173 -3.800 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.989 -20.165 -2.628 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.201 -22.183 -2.181 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.252 -21.910 -1.240 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.164 -20.935 -0.450 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.673 -20.088 -0.090 1.00 0.00 H new ATOM 485 N ASP A 32 -3.223 -20.140 -3.876 1.00 0.00 N ATOM 486 CA ASP A 32 -4.237 -20.521 -4.852 1.00 0.00 C ATOM 487 C ASP A 32 -5.257 -19.402 -5.041 1.00 0.00 C ATOM 488 O ASP A 32 -5.986 -19.373 -6.034 1.00 0.00 O ATOM 489 CB ASP A 32 -4.945 -21.803 -4.410 1.00 0.00 C ATOM 490 CG ASP A 32 -5.718 -22.456 -5.539 1.00 0.00 C ATOM 491 OD1 ASP A 32 -5.257 -22.376 -6.697 1.00 0.00 O ATOM 492 OD2 ASP A 32 -6.783 -23.047 -5.265 1.00 0.00 O ATOM 0 H ASP A 32 -3.556 -20.109 -2.912 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.739 -20.700 -5.805 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.208 -22.507 -4.023 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.627 -21.574 -3.591 1.00 0.00 H new ATOM 497 N LEU A 33 -5.303 -18.483 -4.083 1.00 0.00 N ATOM 498 CA LEU A 33 -6.234 -17.361 -4.143 1.00 0.00 C ATOM 499 C LEU A 33 -5.645 -16.207 -4.947 1.00 0.00 C ATOM 500 O LEU A 33 -4.426 -16.081 -5.071 1.00 0.00 O ATOM 501 CB LEU A 33 -6.586 -16.888 -2.732 1.00 0.00 C ATOM 502 CG LEU A 33 -7.472 -17.826 -1.911 1.00 0.00 C ATOM 503 CD1 LEU A 33 -7.885 -17.163 -0.606 1.00 0.00 C ATOM 504 CD2 LEU A 33 -8.697 -18.239 -2.713 1.00 0.00 C ATOM 0 H LEU A 33 -4.707 -18.492 -3.255 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.142 -17.701 -4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.658 -16.724 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.086 -15.923 -2.808 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.899 -18.722 -1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.515 -17.845 -0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.996 -16.918 -0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.441 -16.250 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.316 -18.906 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.272 -17.353 -2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.381 -18.754 -3.620 1.00 0.00 H new ATOM 516 N HIS A 34 -6.518 -15.364 -5.490 1.00 0.00 N ATOM 517 CA HIS A 34 -6.083 -14.217 -6.279 1.00 0.00 C ATOM 518 C HIS A 34 -6.539 -12.910 -5.636 1.00 0.00 C ATOM 519 O HIS A 34 -7.318 -12.915 -4.684 1.00 0.00 O ATOM 520 CB HIS A 34 -6.630 -14.315 -7.703 1.00 0.00 C ATOM 521 CG HIS A 34 -8.113 -14.517 -7.763 1.00 0.00 C ATOM 522 ND1 HIS A 34 -8.997 -13.511 -8.093 1.00 0.00 N ATOM 523 CD2 HIS A 34 -8.867 -15.618 -7.534 1.00 0.00 C ATOM 524 CE1 HIS A 34 -10.230 -13.985 -8.063 1.00 0.00 C ATOM 525 NE2 HIS A 34 -10.178 -15.261 -7.727 1.00 0.00 N ATOM 0 H HIS A 34 -7.530 -15.454 -5.398 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.994 -14.224 -6.314 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.373 -13.405 -8.245 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.138 -15.141 -8.216 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.504 -16.595 -7.252 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.128 -13.424 -8.277 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.982 -15.881 -7.627 1.00 0.00 H new ATOM 534 N ASN A 35 -6.046 -11.794 -6.161 1.00 0.00 N ATOM 535 CA ASN A 35 -6.401 -10.480 -5.637 1.00 0.00 C ATOM 536 C ASN A 35 -7.838 -10.469 -5.125 1.00 0.00 C ATOM 537 O ASN A 35 -8.078 -10.416 -3.920 1.00 0.00 O ATOM 538 CB ASN A 35 -6.224 -9.412 -6.718 1.00 0.00 C ATOM 539 CG ASN A 35 -4.782 -9.277 -7.168 1.00 0.00 C ATOM 540 OD1 ASN A 35 -4.379 -9.854 -8.178 1.00 0.00 O ATOM 541 ND2 ASN A 35 -3.997 -8.514 -6.417 1.00 0.00 N ATOM 0 H ASN A 35 -5.399 -11.773 -6.949 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.735 -10.257 -4.803 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.848 -9.661 -7.576 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.574 -8.452 -6.337 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.017 -8.387 -6.669 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.374 -8.055 -5.588 1.00 0.00 H new ATOM 548 N ALA A 36 -8.790 -10.520 -6.051 1.00 0.00 N ATOM 549 CA ALA A 36 -10.204 -10.519 -5.694 1.00 0.00 C ATOM 550 C ALA A 36 -10.439 -11.261 -4.383 1.00 0.00 C ATOM 551 O ALA A 36 -11.236 -10.829 -3.551 1.00 0.00 O ATOM 552 CB ALA A 36 -11.030 -11.140 -6.810 1.00 0.00 C ATOM 0 H ALA A 36 -8.608 -10.563 -7.054 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.519 -9.484 -5.557 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.083 -11.133 -6.530 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.894 -10.565 -7.726 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.705 -12.167 -6.974 1.00 0.00 H new ATOM 558 N GLU A 37 -9.742 -12.378 -4.207 1.00 0.00 N ATOM 559 CA GLU A 37 -9.878 -13.180 -2.997 1.00 0.00 C ATOM 560 C GLU A 37 -9.128 -12.539 -1.832 1.00 0.00 C ATOM 561 O GLU A 37 -9.631 -12.484 -0.710 1.00 0.00 O ATOM 562 CB GLU A 37 -9.355 -14.598 -3.236 1.00 0.00 C ATOM 563 CG GLU A 37 -10.214 -15.411 -4.189 1.00 0.00 C ATOM 564 CD GLU A 37 -11.293 -16.201 -3.472 1.00 0.00 C ATOM 565 OE1 GLU A 37 -11.133 -16.456 -2.260 1.00 0.00 O ATOM 566 OE2 GLU A 37 -12.295 -16.563 -4.123 1.00 0.00 O ATOM 0 H GLU A 37 -9.078 -12.748 -4.886 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.937 -13.229 -2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.342 -14.540 -3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.294 -15.119 -2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.679 -14.742 -4.913 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.579 -16.097 -4.750 1.00 0.00 H new ATOM 573 N LEU A 38 -7.921 -12.057 -2.108 1.00 0.00 N ATOM 574 CA LEU A 38 -7.100 -11.420 -1.084 1.00 0.00 C ATOM 575 C LEU A 38 -7.804 -10.198 -0.503 1.00 0.00 C ATOM 576 O LEU A 38 -7.880 -10.034 0.715 1.00 0.00 O ATOM 577 CB LEU A 38 -5.746 -11.012 -1.669 1.00 0.00 C ATOM 578 CG LEU A 38 -5.063 -12.046 -2.565 1.00 0.00 C ATOM 579 CD1 LEU A 38 -3.679 -11.566 -2.975 1.00 0.00 C ATOM 580 CD2 LEU A 38 -4.976 -13.390 -1.858 1.00 0.00 C ATOM 0 H LEU A 38 -7.489 -12.095 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.941 -12.140 -0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.882 -10.096 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.073 -10.774 -0.845 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.663 -12.171 -3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.208 -12.315 -3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.767 -10.627 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.069 -11.412 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.487 -14.113 -2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.399 -13.281 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.980 -13.740 -1.616 1.00 0.00 H new ATOM 592 N SER A 39 -8.321 -9.346 -1.382 1.00 0.00 N ATOM 593 CA SER A 39 -9.019 -8.138 -0.956 1.00 0.00 C ATOM 594 C SER A 39 -9.968 -8.438 0.200 1.00 0.00 C ATOM 595 O SER A 39 -9.891 -7.816 1.259 1.00 0.00 O ATOM 596 CB SER A 39 -9.797 -7.534 -2.127 1.00 0.00 C ATOM 597 OG SER A 39 -9.844 -6.121 -2.033 1.00 0.00 O ATOM 0 H SER A 39 -8.270 -9.469 -2.393 1.00 0.00 H new ATOM 0 HA SER A 39 -8.275 -7.419 -0.614 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.328 -7.824 -3.067 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.811 -7.935 -2.140 1.00 0.00 H new ATOM 0 HG SER A 39 -10.345 -5.759 -2.794 1.00 0.00 H new ATOM 603 N LYS A 40 -10.863 -9.396 -0.012 1.00 0.00 N ATOM 604 CA LYS A 40 -11.828 -9.782 1.011 1.00 0.00 C ATOM 605 C LYS A 40 -11.201 -9.724 2.400 1.00 0.00 C ATOM 606 O LYS A 40 -11.880 -9.444 3.387 1.00 0.00 O ATOM 607 CB LYS A 40 -12.357 -11.192 0.737 1.00 0.00 C ATOM 608 CG LYS A 40 -13.283 -11.271 -0.465 1.00 0.00 C ATOM 609 CD LYS A 40 -14.737 -11.092 -0.062 1.00 0.00 C ATOM 610 CE LYS A 40 -15.681 -11.539 -1.167 1.00 0.00 C ATOM 611 NZ LYS A 40 -16.986 -12.009 -0.626 1.00 0.00 N ATOM 0 H LYS A 40 -10.941 -9.920 -0.884 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.658 -9.076 0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.513 -11.864 0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.889 -11.549 1.619 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.008 -10.503 -1.188 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.158 -12.234 -0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.938 -11.665 0.843 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.923 -10.045 0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.851 -10.712 -1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.215 -12.341 -1.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.601 -12.305 -1.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.827 -12.815 0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.443 -11.236 -0.101 1.00 0.00 H new ATOM 625 N MET A 41 -9.900 -9.991 2.469 1.00 0.00 N ATOM 626 CA MET A 41 -9.182 -9.966 3.737 1.00 0.00 C ATOM 627 C MET A 41 -8.544 -8.601 3.974 1.00 0.00 C ATOM 628 O MET A 41 -8.465 -8.130 5.110 1.00 0.00 O ATOM 629 CB MET A 41 -8.107 -11.055 3.761 1.00 0.00 C ATOM 630 CG MET A 41 -8.611 -12.416 3.308 1.00 0.00 C ATOM 631 SD MET A 41 -7.280 -13.610 3.083 1.00 0.00 S ATOM 632 CE MET A 41 -7.487 -14.026 1.353 1.00 0.00 C ATOM 0 H MET A 41 -9.323 -10.227 1.662 1.00 0.00 H new ATOM 0 HA MET A 41 -9.899 -10.156 4.535 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.279 -10.751 3.120 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.711 -11.141 4.773 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.318 -12.800 4.043 1.00 0.00 H new ATOM 0 HG3 MET A 41 -9.155 -12.304 2.370 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.858 -15.047 1.266 1.00 0.00 H new ATOM 0 HE2 MET A 41 -8.202 -13.341 0.897 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.528 -13.943 0.842 1.00 0.00 H new ATOM 642 N LEU A 42 -8.089 -7.970 2.897 1.00 0.00 N ATOM 643 CA LEU A 42 -7.457 -6.658 2.988 1.00 0.00 C ATOM 644 C LEU A 42 -8.465 -5.597 3.418 1.00 0.00 C ATOM 645 O LEU A 42 -8.100 -4.585 4.013 1.00 0.00 O ATOM 646 CB LEU A 42 -6.838 -6.275 1.643 1.00 0.00 C ATOM 647 CG LEU A 42 -5.706 -7.174 1.144 1.00 0.00 C ATOM 648 CD1 LEU A 42 -5.255 -6.745 -0.243 1.00 0.00 C ATOM 649 CD2 LEU A 42 -4.537 -7.151 2.118 1.00 0.00 C ATOM 0 H LEU A 42 -8.146 -8.346 1.950 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.671 -6.711 3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.627 -6.268 0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.459 -5.256 1.717 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.081 -8.196 1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.449 -7.396 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.093 -6.815 -0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.899 -5.715 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.741 -7.796 1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.163 -6.132 2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.869 -7.508 3.093 1.00 0.00 H new ATOM 661 N GLY A 43 -9.737 -5.838 3.113 1.00 0.00 N ATOM 662 CA GLY A 43 -10.778 -4.895 3.477 1.00 0.00 C ATOM 663 C GLY A 43 -11.166 -4.995 4.939 1.00 0.00 C ATOM 664 O GLY A 43 -11.147 -4.000 5.664 1.00 0.00 O ATOM 0 H GLY A 43 -10.064 -6.669 2.621 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.437 -3.882 3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.657 -5.073 2.858 1.00 0.00 H new ATOM 668 N LYS A 44 -11.521 -6.200 5.374 1.00 0.00 N ATOM 669 CA LYS A 44 -11.916 -6.427 6.759 1.00 0.00 C ATOM 670 C LYS A 44 -10.848 -5.916 7.720 1.00 0.00 C ATOM 671 O LYS A 44 -11.161 -5.378 8.782 1.00 0.00 O ATOM 672 CB LYS A 44 -12.163 -7.918 7.001 1.00 0.00 C ATOM 673 CG LYS A 44 -10.899 -8.759 6.961 1.00 0.00 C ATOM 674 CD LYS A 44 -11.172 -10.196 7.375 1.00 0.00 C ATOM 675 CE LYS A 44 -12.074 -10.902 6.375 1.00 0.00 C ATOM 676 NZ LYS A 44 -11.894 -12.380 6.412 1.00 0.00 N ATOM 0 H LYS A 44 -11.543 -7.034 4.787 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.839 -5.876 6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.643 -8.045 7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.860 -8.289 6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.482 -8.742 5.954 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.151 -8.324 7.624 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.229 -10.736 7.461 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.638 -10.210 8.360 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.114 -10.657 6.589 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.860 -10.535 5.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.526 -12.824 5.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.907 -12.615 6.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.123 -12.734 7.363 1.00 0.00 H new ATOM 690 N SER A 45 -9.585 -6.086 7.340 1.00 0.00 N ATOM 691 CA SER A 45 -8.471 -5.643 8.170 1.00 0.00 C ATOM 692 C SER A 45 -8.289 -4.132 8.073 1.00 0.00 C ATOM 693 O SER A 45 -7.831 -3.489 9.019 1.00 0.00 O ATOM 694 CB SER A 45 -7.182 -6.352 7.750 1.00 0.00 C ATOM 695 OG SER A 45 -7.123 -7.663 8.284 1.00 0.00 O ATOM 0 H SER A 45 -9.308 -6.527 6.463 1.00 0.00 H new ATOM 0 HA SER A 45 -8.697 -5.898 9.205 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.126 -6.396 6.662 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.320 -5.778 8.091 1.00 0.00 H new ATOM 0 HG SER A 45 -6.291 -8.095 7.999 1.00 0.00 H new ATOM 701 N TRP A 46 -8.649 -3.571 6.925 1.00 0.00 N ATOM 702 CA TRP A 46 -8.526 -2.135 6.703 1.00 0.00 C ATOM 703 C TRP A 46 -9.504 -1.363 7.581 1.00 0.00 C ATOM 704 O TRP A 46 -9.103 -0.674 8.520 1.00 0.00 O ATOM 705 CB TRP A 46 -8.770 -1.802 5.231 1.00 0.00 C ATOM 706 CG TRP A 46 -8.670 -0.338 4.928 1.00 0.00 C ATOM 707 CD1 TRP A 46 -9.655 0.465 4.426 1.00 0.00 C ATOM 708 CD2 TRP A 46 -7.522 0.498 5.107 1.00 0.00 C ATOM 709 NE1 TRP A 46 -9.187 1.749 4.281 1.00 0.00 N ATOM 710 CE2 TRP A 46 -7.882 1.795 4.693 1.00 0.00 C ATOM 711 CE3 TRP A 46 -6.225 0.277 5.578 1.00 0.00 C ATOM 712 CZ2 TRP A 46 -6.990 2.864 4.736 1.00 0.00 C ATOM 713 CZ3 TRP A 46 -5.341 1.339 5.619 1.00 0.00 C ATOM 714 CH2 TRP A 46 -5.727 2.619 5.201 1.00 0.00 C ATOM 0 H TRP A 46 -9.029 -4.089 6.133 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.513 -1.837 6.971 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -8.048 -2.342 4.619 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -9.760 -2.158 4.945 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -10.655 0.139 4.179 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.724 2.539 3.924 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -5.919 -0.706 5.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -7.285 3.852 4.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.336 1.179 5.979 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.013 3.428 5.247 1.00 0.00 H new ATOM 725 N LYS A 47 -10.791 -1.481 7.271 1.00 0.00 N ATOM 726 CA LYS A 47 -11.828 -0.795 8.033 1.00 0.00 C ATOM 727 C LYS A 47 -11.584 -0.933 9.532 1.00 0.00 C ATOM 728 O LYS A 47 -11.876 -0.021 10.304 1.00 0.00 O ATOM 729 CB LYS A 47 -13.207 -1.356 7.676 1.00 0.00 C ATOM 730 CG LYS A 47 -13.884 -0.623 6.531 1.00 0.00 C ATOM 731 CD LYS A 47 -14.932 -1.491 5.855 1.00 0.00 C ATOM 732 CE LYS A 47 -14.291 -2.560 4.983 1.00 0.00 C ATOM 733 NZ LYS A 47 -13.707 -1.985 3.740 1.00 0.00 N ATOM 0 H LYS A 47 -11.141 -2.046 6.497 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.794 0.263 7.774 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.105 -2.409 7.412 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.848 -1.309 8.556 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.351 0.287 6.906 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.135 -0.319 5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.558 -1.964 6.612 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.586 -0.867 5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.511 -3.070 5.548 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.037 -3.310 4.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.448 -2.754 3.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.406 -1.365 3.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.858 -1.433 3.978 1.00 0.00 H new ATOM 747 N ALA A 48 -11.045 -2.079 9.936 1.00 0.00 N ATOM 748 CA ALA A 48 -10.758 -2.335 11.342 1.00 0.00 C ATOM 749 C ALA A 48 -9.737 -1.340 11.883 1.00 0.00 C ATOM 750 O ALA A 48 -9.830 -0.902 13.031 1.00 0.00 O ATOM 751 CB ALA A 48 -10.259 -3.760 11.528 1.00 0.00 C ATOM 0 H ALA A 48 -10.798 -2.845 9.309 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.683 -2.210 11.905 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.049 -3.937 12.583 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.022 -4.460 11.188 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.348 -3.905 10.947 1.00 0.00 H new ATOM 757 N LEU A 49 -8.764 -0.987 11.052 1.00 0.00 N ATOM 758 CA LEU A 49 -7.724 -0.043 11.447 1.00 0.00 C ATOM 759 C LEU A 49 -8.334 1.270 11.928 1.00 0.00 C ATOM 760 O LEU A 49 -9.443 1.633 11.534 1.00 0.00 O ATOM 761 CB LEU A 49 -6.775 0.221 10.277 1.00 0.00 C ATOM 762 CG LEU A 49 -5.824 -0.920 9.913 1.00 0.00 C ATOM 763 CD1 LEU A 49 -4.991 -0.552 8.695 1.00 0.00 C ATOM 764 CD2 LEU A 49 -4.926 -1.262 11.093 1.00 0.00 C ATOM 0 H LEU A 49 -8.673 -1.340 10.099 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.162 -0.484 12.270 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.373 0.463 9.398 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.179 1.103 10.511 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.419 -1.800 9.668 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.320 -1.376 8.451 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.650 -0.357 7.849 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.405 0.341 8.911 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.256 -2.076 10.816 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.339 -0.386 11.369 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.539 -1.569 11.940 1.00 0.00 H new ATOM 776 N THR A 50 -7.602 1.979 12.782 1.00 0.00 N ATOM 777 CA THR A 50 -8.070 3.252 13.316 1.00 0.00 C ATOM 778 C THR A 50 -7.404 4.424 12.606 1.00 0.00 C ATOM 779 O THR A 50 -6.400 4.254 11.913 1.00 0.00 O ATOM 780 CB THR A 50 -7.799 3.360 14.828 1.00 0.00 C ATOM 781 OG1 THR A 50 -6.388 3.368 15.073 1.00 0.00 O ATOM 782 CG2 THR A 50 -8.442 2.204 15.578 1.00 0.00 C ATOM 0 H THR A 50 -6.683 1.693 13.119 1.00 0.00 H new ATOM 0 HA THR A 50 -9.146 3.291 13.144 1.00 0.00 H new ATOM 0 HB THR A 50 -8.236 4.292 15.187 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.224 3.439 16.037 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.236 2.303 16.644 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.519 2.218 15.413 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.032 1.262 15.215 1.00 0.00 H new ATOM 790 N LEU A 51 -7.967 5.614 12.784 1.00 0.00 N ATOM 791 CA LEU A 51 -7.426 6.817 12.160 1.00 0.00 C ATOM 792 C LEU A 51 -5.912 6.888 12.335 1.00 0.00 C ATOM 793 O LEU A 51 -5.169 6.982 11.359 1.00 0.00 O ATOM 794 CB LEU A 51 -8.079 8.064 12.760 1.00 0.00 C ATOM 795 CG LEU A 51 -7.621 9.404 12.184 1.00 0.00 C ATOM 796 CD1 LEU A 51 -6.277 9.807 12.771 1.00 0.00 C ATOM 797 CD2 LEU A 51 -7.541 9.333 10.666 1.00 0.00 C ATOM 0 H LEU A 51 -8.797 5.772 13.355 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.648 6.775 11.094 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.158 7.984 12.628 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.889 8.069 13.833 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.355 10.163 12.455 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.968 10.763 12.349 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.366 9.900 13.853 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.533 9.047 12.532 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.213 10.296 10.273 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.829 8.561 10.375 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.524 9.091 10.261 1.00 0.00 H new ATOM 809 N ALA A 52 -5.463 6.839 13.585 1.00 0.00 N ATOM 810 CA ALA A 52 -4.038 6.892 13.887 1.00 0.00 C ATOM 811 C ALA A 52 -3.267 5.852 13.082 1.00 0.00 C ATOM 812 O ALA A 52 -2.112 6.069 12.717 1.00 0.00 O ATOM 813 CB ALA A 52 -3.807 6.688 15.377 1.00 0.00 C ATOM 0 H ALA A 52 -6.065 6.763 14.405 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.668 7.878 13.605 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.739 6.730 15.589 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.319 7.472 15.935 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.198 5.716 15.676 1.00 0.00 H new ATOM 819 N GLU A 53 -3.913 4.723 12.810 1.00 0.00 N ATOM 820 CA GLU A 53 -3.285 3.649 12.049 1.00 0.00 C ATOM 821 C GLU A 53 -3.256 3.981 10.560 1.00 0.00 C ATOM 822 O GLU A 53 -2.345 3.575 9.839 1.00 0.00 O ATOM 823 CB GLU A 53 -4.030 2.331 12.274 1.00 0.00 C ATOM 824 CG GLU A 53 -3.688 1.657 13.592 1.00 0.00 C ATOM 825 CD GLU A 53 -2.364 0.919 13.545 1.00 0.00 C ATOM 826 OE1 GLU A 53 -1.486 1.327 12.757 1.00 0.00 O ATOM 827 OE2 GLU A 53 -2.208 -0.066 14.296 1.00 0.00 O ATOM 0 H GLU A 53 -4.870 4.528 13.105 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.258 3.543 12.400 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.103 2.519 12.239 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.800 1.649 11.456 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.653 2.408 14.381 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.481 0.956 13.854 1.00 0.00 H new ATOM 834 N LYS A 54 -4.261 4.723 10.106 1.00 0.00 N ATOM 835 CA LYS A 54 -4.352 5.112 8.704 1.00 0.00 C ATOM 836 C LYS A 54 -3.577 6.400 8.445 1.00 0.00 C ATOM 837 O LYS A 54 -3.389 6.802 7.297 1.00 0.00 O ATOM 838 CB LYS A 54 -5.817 5.295 8.299 1.00 0.00 C ATOM 839 CG LYS A 54 -6.667 4.055 8.513 1.00 0.00 C ATOM 840 CD LYS A 54 -8.146 4.355 8.336 1.00 0.00 C ATOM 841 CE LYS A 54 -8.556 4.289 6.873 1.00 0.00 C ATOM 842 NZ LYS A 54 -9.871 4.946 6.635 1.00 0.00 N ATOM 0 H LYS A 54 -5.024 5.067 10.689 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.911 4.317 8.103 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.243 6.120 8.870 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.862 5.579 7.248 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.365 3.280 7.808 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.492 3.661 9.514 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.735 3.642 8.913 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.368 5.346 8.733 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.794 4.770 6.260 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.608 3.247 6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.115 4.880 5.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.604 4.471 7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.814 5.947 6.912 1.00 0.00 H new ATOM 856 N ARG A 55 -3.129 7.042 9.519 1.00 0.00 N ATOM 857 CA ARG A 55 -2.374 8.284 9.407 1.00 0.00 C ATOM 858 C ARG A 55 -1.151 8.098 8.515 1.00 0.00 C ATOM 859 O ARG A 55 -0.907 8.867 7.585 1.00 0.00 O ATOM 860 CB ARG A 55 -1.940 8.769 10.792 1.00 0.00 C ATOM 861 CG ARG A 55 -1.911 10.282 10.926 1.00 0.00 C ATOM 862 CD ARG A 55 -3.296 10.843 11.212 1.00 0.00 C ATOM 863 NE ARG A 55 -3.412 12.244 10.814 1.00 0.00 N ATOM 864 CZ ARG A 55 -4.573 12.861 10.627 1.00 0.00 C ATOM 865 NH1 ARG A 55 -5.712 12.204 10.801 1.00 0.00 N ATOM 866 NH2 ARG A 55 -4.597 14.138 10.266 1.00 0.00 N ATOM 0 H ARG A 55 -3.276 6.723 10.476 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.022 9.034 8.954 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.619 8.359 11.540 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.948 8.374 11.011 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.230 10.564 11.729 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.521 10.722 10.008 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.043 10.252 10.682 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.512 10.749 12.276 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.554 12.777 10.672 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.697 11.223 11.079 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.603 12.680 10.657 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.723 14.647 10.132 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.489 14.611 10.123 1.00 0.00 H new ATOM 880 N PRO A 56 -0.361 7.054 8.804 1.00 0.00 N ATOM 881 CA PRO A 56 0.851 6.742 8.040 1.00 0.00 C ATOM 882 C PRO A 56 0.537 6.241 6.634 1.00 0.00 C ATOM 883 O PRO A 56 1.325 6.429 5.707 1.00 0.00 O ATOM 884 CB PRO A 56 1.517 5.638 8.865 1.00 0.00 C ATOM 885 CG PRO A 56 0.399 4.999 9.614 1.00 0.00 C ATOM 886 CD PRO A 56 -0.590 6.096 9.899 1.00 0.00 C ATOM 0 HA PRO A 56 1.479 7.621 7.895 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.027 4.918 8.225 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.265 6.047 9.544 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.059 4.203 9.027 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.757 4.547 10.539 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.614 5.723 9.899 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.416 6.551 10.874 1.00 0.00 H new ATOM 894 N PHE A 57 -0.618 5.602 6.483 1.00 0.00 N ATOM 895 CA PHE A 57 -1.036 5.074 5.190 1.00 0.00 C ATOM 896 C PHE A 57 -1.926 6.073 4.456 1.00 0.00 C ATOM 897 O PHE A 57 -2.244 5.891 3.281 1.00 0.00 O ATOM 898 CB PHE A 57 -1.780 3.749 5.373 1.00 0.00 C ATOM 899 CG PHE A 57 -1.058 2.773 6.257 1.00 0.00 C ATOM 900 CD1 PHE A 57 0.158 2.235 5.869 1.00 0.00 C ATOM 901 CD2 PHE A 57 -1.595 2.395 7.477 1.00 0.00 C ATOM 902 CE1 PHE A 57 0.826 1.337 6.681 1.00 0.00 C ATOM 903 CE2 PHE A 57 -0.933 1.498 8.293 1.00 0.00 C ATOM 904 CZ PHE A 57 0.279 0.967 7.894 1.00 0.00 C ATOM 0 H PHE A 57 -1.281 5.437 7.240 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.142 4.901 4.590 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.765 3.950 5.795 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.939 3.293 4.396 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.590 2.520 4.921 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.542 2.806 7.794 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.774 0.926 6.367 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.362 1.212 9.242 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.797 0.264 8.529 1.00 0.00 H new ATOM 914 N VAL A 58 -2.325 7.128 5.158 1.00 0.00 N ATOM 915 CA VAL A 58 -3.178 8.157 4.574 1.00 0.00 C ATOM 916 C VAL A 58 -2.349 9.318 4.037 1.00 0.00 C ATOM 917 O VAL A 58 -2.693 9.920 3.021 1.00 0.00 O ATOM 918 CB VAL A 58 -4.191 8.696 5.602 1.00 0.00 C ATOM 919 CG1 VAL A 58 -4.738 10.043 5.157 1.00 0.00 C ATOM 920 CG2 VAL A 58 -5.319 7.697 5.812 1.00 0.00 C ATOM 0 H VAL A 58 -2.072 7.293 6.132 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.720 7.690 3.751 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.677 8.836 6.553 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.452 10.408 5.896 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.918 10.755 5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.237 9.933 4.194 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.025 8.094 6.541 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.832 7.524 4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.908 6.756 6.179 1.00 0.00 H new ATOM 930 N GLU A 59 -1.255 9.626 4.726 1.00 0.00 N ATOM 931 CA GLU A 59 -0.377 10.716 4.318 1.00 0.00 C ATOM 932 C GLU A 59 0.512 10.291 3.153 1.00 0.00 C ATOM 933 O GLU A 59 1.134 11.126 2.497 1.00 0.00 O ATOM 934 CB GLU A 59 0.488 11.172 5.494 1.00 0.00 C ATOM 935 CG GLU A 59 -0.314 11.567 6.723 1.00 0.00 C ATOM 936 CD GLU A 59 -0.687 13.036 6.728 1.00 0.00 C ATOM 937 OE1 GLU A 59 0.160 13.866 6.339 1.00 0.00 O ATOM 938 OE2 GLU A 59 -1.829 13.356 7.122 1.00 0.00 O ATOM 0 H GLU A 59 -0.956 9.136 5.569 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.001 11.548 3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.175 10.369 5.762 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.096 12.020 5.179 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.222 10.965 6.769 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.265 11.340 7.618 1.00 0.00 H new ATOM 945 N GLU A 60 0.566 8.986 2.903 1.00 0.00 N ATOM 946 CA GLU A 60 1.380 8.450 1.818 1.00 0.00 C ATOM 947 C GLU A 60 0.594 8.423 0.510 1.00 0.00 C ATOM 948 O GLU A 60 0.983 9.051 -0.473 1.00 0.00 O ATOM 949 CB GLU A 60 1.866 7.041 2.164 1.00 0.00 C ATOM 950 CG GLU A 60 2.387 6.266 0.965 1.00 0.00 C ATOM 951 CD GLU A 60 3.416 5.221 1.349 1.00 0.00 C ATOM 952 OE1 GLU A 60 3.285 4.632 2.442 1.00 0.00 O ATOM 953 OE2 GLU A 60 4.353 4.992 0.556 1.00 0.00 O ATOM 0 H GLU A 60 0.056 8.282 3.436 1.00 0.00 H new ATOM 0 HA GLU A 60 2.243 9.103 1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.656 7.112 2.912 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.046 6.484 2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.552 5.780 0.460 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.829 6.961 0.252 1.00 0.00 H new ATOM 960 N ALA A 61 -0.514 7.689 0.508 1.00 0.00 N ATOM 961 CA ALA A 61 -1.356 7.579 -0.677 1.00 0.00 C ATOM 962 C ALA A 61 -1.667 8.955 -1.258 1.00 0.00 C ATOM 963 O ALA A 61 -1.679 9.135 -2.475 1.00 0.00 O ATOM 964 CB ALA A 61 -2.644 6.842 -0.343 1.00 0.00 C ATOM 0 H ALA A 61 -0.849 7.162 1.314 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.810 7.010 -1.429 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.263 6.767 -1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.407 5.842 0.019 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.186 7.388 0.429 1.00 0.00 H new ATOM 970 N GLU A 62 -1.918 9.920 -0.379 1.00 0.00 N ATOM 971 CA GLU A 62 -2.231 11.279 -0.807 1.00 0.00 C ATOM 972 C GLU A 62 -1.085 11.869 -1.624 1.00 0.00 C ATOM 973 O GLU A 62 -1.300 12.435 -2.696 1.00 0.00 O ATOM 974 CB GLU A 62 -2.517 12.166 0.406 1.00 0.00 C ATOM 975 CG GLU A 62 -2.585 13.647 0.074 1.00 0.00 C ATOM 976 CD GLU A 62 -3.443 14.426 1.053 1.00 0.00 C ATOM 977 OE1 GLU A 62 -4.684 14.336 0.957 1.00 0.00 O ATOM 978 OE2 GLU A 62 -2.871 15.125 1.916 1.00 0.00 O ATOM 0 H GLU A 62 -1.911 9.787 0.632 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.120 11.239 -1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.461 11.859 0.855 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.741 12.005 1.154 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.577 14.061 0.071 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.984 13.772 -0.933 1.00 0.00 H new ATOM 985 N ARG A 63 0.132 11.733 -1.109 1.00 0.00 N ATOM 986 CA ARG A 63 1.312 12.254 -1.789 1.00 0.00 C ATOM 987 C ARG A 63 1.455 11.639 -3.178 1.00 0.00 C ATOM 988 O ARG A 63 2.055 12.235 -4.074 1.00 0.00 O ATOM 989 CB ARG A 63 2.569 11.972 -0.963 1.00 0.00 C ATOM 990 CG ARG A 63 2.549 12.614 0.414 1.00 0.00 C ATOM 991 CD ARG A 63 3.559 11.964 1.347 1.00 0.00 C ATOM 992 NE ARG A 63 4.931 12.144 0.880 1.00 0.00 N ATOM 993 CZ ARG A 63 5.649 13.237 1.115 1.00 0.00 C ATOM 994 NH1 ARG A 63 5.129 14.240 1.808 1.00 0.00 N ATOM 995 NH2 ARG A 63 6.891 13.327 0.657 1.00 0.00 N ATOM 0 H ARG A 63 0.327 11.267 -0.223 1.00 0.00 H new ATOM 0 HA ARG A 63 1.191 13.332 -1.898 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.685 10.894 -0.850 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.441 12.331 -1.510 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.768 13.678 0.324 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.550 12.529 0.842 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.457 12.390 2.345 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.342 10.899 1.431 1.00 0.00 H new ATOM 0 HE ARG A 63 5.361 11.390 0.345 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.175 14.174 2.163 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.683 15.078 1.987 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.295 12.557 0.124 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.442 14.166 0.838 1.00 0.00 H new ATOM 1009 N LEU A 64 0.901 10.444 -3.350 1.00 0.00 N ATOM 1010 CA LEU A 64 0.966 9.748 -4.631 1.00 0.00 C ATOM 1011 C LEU A 64 -0.107 10.262 -5.585 1.00 0.00 C ATOM 1012 O LEU A 64 0.201 10.800 -6.649 1.00 0.00 O ATOM 1013 CB LEU A 64 0.801 8.241 -4.423 1.00 0.00 C ATOM 1014 CG LEU A 64 1.685 7.612 -3.345 1.00 0.00 C ATOM 1015 CD1 LEU A 64 1.455 6.110 -3.277 1.00 0.00 C ATOM 1016 CD2 LEU A 64 3.151 7.917 -3.612 1.00 0.00 C ATOM 0 H LEU A 64 0.402 9.937 -2.619 1.00 0.00 H new ATOM 0 HA LEU A 64 1.943 9.943 -5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.241 8.041 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.004 7.739 -5.369 1.00 0.00 H new ATOM 0 HG LEU A 64 1.415 8.045 -2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.092 5.679 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.410 5.912 -3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.698 5.661 -4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.765 7.462 -2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.436 7.512 -4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.304 8.996 -3.610 1.00 0.00 H new ATOM 1028 N ARG A 65 -1.367 10.093 -5.198 1.00 0.00 N ATOM 1029 CA ARG A 65 -2.485 10.541 -6.019 1.00 0.00 C ATOM 1030 C ARG A 65 -2.318 12.005 -6.414 1.00 0.00 C ATOM 1031 O ARG A 65 -2.517 12.374 -7.571 1.00 0.00 O ATOM 1032 CB ARG A 65 -3.804 10.352 -5.268 1.00 0.00 C ATOM 1033 CG ARG A 65 -4.864 11.380 -5.629 1.00 0.00 C ATOM 1034 CD ARG A 65 -4.800 12.592 -4.713 1.00 0.00 C ATOM 1035 NE ARG A 65 -6.110 13.211 -4.533 1.00 0.00 N ATOM 1036 CZ ARG A 65 -7.001 12.799 -3.638 1.00 0.00 C ATOM 1037 NH1 ARG A 65 -6.724 11.772 -2.846 1.00 0.00 N ATOM 1038 NH2 ARG A 65 -8.172 13.414 -3.533 1.00 0.00 N ATOM 0 H ARG A 65 -1.639 9.649 -4.321 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.501 9.938 -6.927 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.191 9.355 -5.477 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.612 10.402 -4.196 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.728 11.697 -6.663 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.852 10.924 -5.563 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.404 12.293 -3.743 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.107 13.324 -5.128 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.354 14.003 -5.127 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.825 11.296 -2.923 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.410 11.458 -2.160 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.389 14.204 -4.140 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.855 13.096 -2.845 1.00 0.00 H new ATOM 1052 N VAL A 66 -1.951 12.837 -5.444 1.00 0.00 N ATOM 1053 CA VAL A 66 -1.756 14.260 -5.690 1.00 0.00 C ATOM 1054 C VAL A 66 -0.762 14.491 -6.822 1.00 0.00 C ATOM 1055 O VAL A 66 -1.016 15.280 -7.733 1.00 0.00 O ATOM 1056 CB VAL A 66 -1.255 14.985 -4.426 1.00 0.00 C ATOM 1057 CG1 VAL A 66 -2.237 14.801 -3.280 1.00 0.00 C ATOM 1058 CG2 VAL A 66 0.129 14.485 -4.039 1.00 0.00 C ATOM 0 H VAL A 66 -1.783 12.549 -4.480 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.726 14.668 -5.973 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.184 16.051 -4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.866 15.320 -2.396 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.206 15.212 -3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.344 13.739 -3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.468 15.008 -3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.086 13.414 -3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.826 14.675 -4.855 1.00 0.00 H new ATOM 1068 N GLN A 67 0.370 13.798 -6.759 1.00 0.00 N ATOM 1069 CA GLN A 67 1.403 13.928 -7.781 1.00 0.00 C ATOM 1070 C GLN A 67 0.978 13.244 -9.075 1.00 0.00 C ATOM 1071 O GLN A 67 1.560 13.479 -10.135 1.00 0.00 O ATOM 1072 CB GLN A 67 2.720 13.331 -7.283 1.00 0.00 C ATOM 1073 CG GLN A 67 3.329 14.089 -6.114 1.00 0.00 C ATOM 1074 CD GLN A 67 4.680 13.539 -5.702 1.00 0.00 C ATOM 1075 OE1 GLN A 67 5.677 13.721 -6.403 1.00 0.00 O ATOM 1076 NE2 GLN A 67 4.722 12.863 -4.560 1.00 0.00 N ATOM 0 H GLN A 67 0.596 13.141 -6.012 1.00 0.00 H new ATOM 0 HA GLN A 67 1.547 14.989 -7.984 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.550 12.296 -6.985 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.435 13.313 -8.106 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.436 15.140 -6.383 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.649 14.045 -5.264 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.872 12.736 -4.011 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.604 12.471 -4.232 1.00 0.00 H new ATOM 1085 N HIS A 68 -0.041 12.394 -8.983 1.00 0.00 N ATOM 1086 CA HIS A 68 -0.544 11.675 -10.148 1.00 0.00 C ATOM 1087 C HIS A 68 -1.421 12.580 -11.008 1.00 0.00 C ATOM 1088 O HIS A 68 -1.488 12.419 -12.226 1.00 0.00 O ATOM 1089 CB HIS A 68 -1.339 10.444 -9.709 1.00 0.00 C ATOM 1090 CG HIS A 68 -2.334 9.980 -10.727 1.00 0.00 C ATOM 1091 ND1 HIS A 68 -2.044 9.032 -11.686 1.00 0.00 N ATOM 1092 CD2 HIS A 68 -3.624 10.337 -10.931 1.00 0.00 C ATOM 1093 CE1 HIS A 68 -3.112 8.828 -12.437 1.00 0.00 C ATOM 1094 NE2 HIS A 68 -4.084 9.608 -12.000 1.00 0.00 N ATOM 0 H HIS A 68 -0.534 12.187 -8.114 1.00 0.00 H new ATOM 0 HA HIS A 68 0.311 11.354 -10.743 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.645 9.631 -9.494 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.861 10.671 -8.780 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.186 11.060 -10.359 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.179 8.140 -13.267 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -5.024 9.660 -12.393 1.00 0.00 H new ATOM 1103 N MET A 69 -2.090 13.532 -10.366 1.00 0.00 N ATOM 1104 CA MET A 69 -2.962 14.463 -11.073 1.00 0.00 C ATOM 1105 C MET A 69 -2.280 15.815 -11.254 1.00 0.00 C ATOM 1106 O MET A 69 -2.564 16.540 -12.207 1.00 0.00 O ATOM 1107 CB MET A 69 -4.278 14.640 -10.314 1.00 0.00 C ATOM 1108 CG MET A 69 -4.160 14.373 -8.822 1.00 0.00 C ATOM 1109 SD MET A 69 -5.498 15.123 -7.875 1.00 0.00 S ATOM 1110 CE MET A 69 -4.570 16.054 -6.658 1.00 0.00 C ATOM 0 H MET A 69 -2.045 13.679 -9.358 1.00 0.00 H new ATOM 0 HA MET A 69 -3.173 14.047 -12.058 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.641 15.657 -10.465 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.025 13.968 -10.737 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.156 13.297 -8.649 1.00 0.00 H new ATOM 0 HG3 MET A 69 -3.206 14.757 -8.462 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.113 16.965 -6.405 1.00 0.00 H new ATOM 0 HE2 MET A 69 -4.437 15.449 -5.761 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.594 16.315 -7.067 1.00 0.00 H new ATOM 1120 N GLN A 70 -1.382 16.148 -10.333 1.00 0.00 N ATOM 1121 CA GLN A 70 -0.661 17.414 -10.392 1.00 0.00 C ATOM 1122 C GLN A 70 -0.221 17.725 -11.819 1.00 0.00 C ATOM 1123 O GLN A 70 -0.197 18.884 -12.232 1.00 0.00 O ATOM 1124 CB GLN A 70 0.557 17.375 -9.467 1.00 0.00 C ATOM 1125 CG GLN A 70 1.789 16.759 -10.110 1.00 0.00 C ATOM 1126 CD GLN A 70 3.043 16.962 -9.282 1.00 0.00 C ATOM 1127 OE1 GLN A 70 3.136 16.487 -8.149 1.00 0.00 O ATOM 1128 NE2 GLN A 70 4.015 17.671 -9.843 1.00 0.00 N ATOM 0 H GLN A 70 -1.136 15.559 -9.537 1.00 0.00 H new ATOM 0 HA GLN A 70 -1.336 18.203 -10.060 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.793 18.390 -9.148 1.00 0.00 H new ATOM 0 HB3 GLN A 70 0.304 16.809 -8.570 1.00 0.00 H new ATOM 0 HG2 GLN A 70 1.623 15.692 -10.255 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.936 17.196 -11.098 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.895 18.046 -10.784 1.00 0.00 H new ATOM 0 HE22 GLN A 70 4.882 17.841 -9.333 1.00 0.00 H new ATOM 1137 N ASP A 71 0.125 16.683 -12.566 1.00 0.00 N ATOM 1138 CA ASP A 71 0.563 16.844 -13.947 1.00 0.00 C ATOM 1139 C ASP A 71 -0.506 17.546 -14.778 1.00 0.00 C ATOM 1140 O ASP A 71 -0.201 18.411 -15.600 1.00 0.00 O ATOM 1141 CB ASP A 71 0.892 15.483 -14.563 1.00 0.00 C ATOM 1142 CG ASP A 71 2.188 14.905 -14.029 1.00 0.00 C ATOM 1143 OD1 ASP A 71 2.313 14.769 -12.794 1.00 0.00 O ATOM 1144 OD2 ASP A 71 3.078 14.588 -14.846 1.00 0.00 O ATOM 0 H ASP A 71 0.111 15.717 -12.238 1.00 0.00 H new ATOM 0 HA ASP A 71 1.462 17.461 -13.947 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.077 14.789 -14.360 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.962 15.585 -15.646 1.00 0.00 H new ATOM 1149 N HIS A 72 -1.762 17.169 -14.559 1.00 0.00 N ATOM 1150 CA HIS A 72 -2.877 17.762 -15.288 1.00 0.00 C ATOM 1151 C HIS A 72 -3.908 18.342 -14.324 1.00 0.00 C ATOM 1152 O HIS A 72 -4.582 17.620 -13.589 1.00 0.00 O ATOM 1153 CB HIS A 72 -3.536 16.719 -16.191 1.00 0.00 C ATOM 1154 CG HIS A 72 -3.588 15.350 -15.587 1.00 0.00 C ATOM 1155 ND1 HIS A 72 -4.717 14.834 -14.986 1.00 0.00 N ATOM 1156 CD2 HIS A 72 -2.641 14.387 -15.494 1.00 0.00 C ATOM 1157 CE1 HIS A 72 -4.462 13.614 -14.549 1.00 0.00 C ATOM 1158 NE2 HIS A 72 -3.209 13.319 -14.845 1.00 0.00 N ATOM 0 H HIS A 72 -2.033 16.455 -13.882 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.487 18.571 -15.906 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.550 17.042 -16.425 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.991 16.671 -17.134 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.627 14.448 -15.862 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -5.159 12.968 -14.037 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -2.740 12.440 -14.627 1.00 0.00 H new ATOM 1167 N PRO A 73 -4.035 19.678 -14.326 1.00 0.00 N ATOM 1168 CA PRO A 73 -4.982 20.384 -13.458 1.00 0.00 C ATOM 1169 C PRO A 73 -6.432 20.148 -13.868 1.00 0.00 C ATOM 1170 O PRO A 73 -7.045 20.988 -14.525 1.00 0.00 O ATOM 1171 CB PRO A 73 -4.606 21.856 -13.647 1.00 0.00 C ATOM 1172 CG PRO A 73 -3.971 21.915 -14.993 1.00 0.00 C ATOM 1173 CD PRO A 73 -3.264 20.601 -15.176 1.00 0.00 C ATOM 0 HA PRO A 73 -4.920 20.043 -12.425 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.485 22.499 -13.595 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.919 22.192 -12.870 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -4.719 22.067 -15.771 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.270 22.747 -15.058 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -3.267 20.285 -16.219 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.221 20.659 -14.864 1.00 0.00 H new ATOM 1181 N ASN A 74 -6.973 19.000 -13.475 1.00 0.00 N ATOM 1182 CA ASN A 74 -8.352 18.654 -13.802 1.00 0.00 C ATOM 1183 C ASN A 74 -9.074 18.088 -12.583 1.00 0.00 C ATOM 1184 O ASN A 74 -10.273 18.307 -12.402 1.00 0.00 O ATOM 1185 CB ASN A 74 -8.387 17.638 -14.946 1.00 0.00 C ATOM 1186 CG ASN A 74 -8.437 18.303 -16.308 1.00 0.00 C ATOM 1187 OD1 ASN A 74 -9.433 18.202 -17.024 1.00 0.00 O ATOM 1188 ND2 ASN A 74 -7.359 18.988 -16.672 1.00 0.00 N ATOM 0 H ASN A 74 -6.478 18.294 -12.930 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.864 19.563 -14.116 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.505 17.000 -14.888 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.257 16.992 -14.828 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.334 19.457 -17.577 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.556 19.045 -16.046 1.00 0.00 H new ATOM 1195 N TYR A 75 -8.338 17.362 -11.750 1.00 0.00 N ATOM 1196 CA TYR A 75 -8.909 16.763 -10.549 1.00 0.00 C ATOM 1197 C TYR A 75 -9.850 17.739 -9.849 1.00 0.00 C ATOM 1198 O TYR A 75 -9.800 18.946 -10.084 1.00 0.00 O ATOM 1199 CB TYR A 75 -7.797 16.333 -9.591 1.00 0.00 C ATOM 1200 CG TYR A 75 -6.815 17.436 -9.268 1.00 0.00 C ATOM 1201 CD1 TYR A 75 -5.791 17.762 -10.149 1.00 0.00 C ATOM 1202 CD2 TYR A 75 -6.912 18.153 -8.082 1.00 0.00 C ATOM 1203 CE1 TYR A 75 -4.892 18.769 -9.857 1.00 0.00 C ATOM 1204 CE2 TYR A 75 -6.017 19.163 -7.782 1.00 0.00 C ATOM 1205 CZ TYR A 75 -5.009 19.467 -8.673 1.00 0.00 C ATOM 1206 OH TYR A 75 -4.116 20.471 -8.379 1.00 0.00 O ATOM 0 H TYR A 75 -7.345 17.174 -11.884 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.482 15.885 -10.848 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -8.246 15.975 -8.664 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.257 15.494 -10.029 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.697 17.219 -11.078 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -7.700 17.917 -7.382 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.101 19.009 -10.552 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -6.107 19.711 -6.856 1.00 0.00 H new ATOM 0 HH TYR A 75 -4.339 20.862 -7.509 1.00 0.00 H new ATOM 1216 N LYS A 76 -10.707 17.206 -8.985 1.00 0.00 N ATOM 1217 CA LYS A 76 -11.660 18.027 -8.247 1.00 0.00 C ATOM 1218 C LYS A 76 -10.956 19.196 -7.565 1.00 0.00 C ATOM 1219 O LYS A 76 -9.734 19.326 -7.639 1.00 0.00 O ATOM 1220 CB LYS A 76 -12.393 17.180 -7.204 1.00 0.00 C ATOM 1221 CG LYS A 76 -11.518 16.761 -6.036 1.00 0.00 C ATOM 1222 CD LYS A 76 -12.328 16.601 -4.761 1.00 0.00 C ATOM 1223 CE LYS A 76 -11.497 16.923 -3.528 1.00 0.00 C ATOM 1224 NZ LYS A 76 -12.271 16.726 -2.271 1.00 0.00 N ATOM 0 H LYS A 76 -10.761 16.209 -8.778 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.385 18.426 -8.956 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.245 17.744 -6.825 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.791 16.288 -7.687 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.020 15.820 -6.272 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.737 17.505 -5.881 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.198 17.257 -4.796 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.702 15.580 -4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.610 16.289 -3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.150 17.955 -3.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.670 16.956 -1.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.104 17.349 -2.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.581 15.735 -2.206 1.00 0.00 H new ATOM 1238 N SER A 77 -11.735 20.042 -6.899 1.00 0.00 N ATOM 1239 CA SER A 77 -11.187 21.202 -6.205 1.00 0.00 C ATOM 1240 C SER A 77 -12.102 21.636 -5.064 1.00 0.00 C ATOM 1241 O SER A 77 -13.251 22.018 -5.286 1.00 0.00 O ATOM 1242 CB SER A 77 -10.987 22.361 -7.183 1.00 0.00 C ATOM 1243 OG SER A 77 -10.361 23.462 -6.549 1.00 0.00 O ATOM 0 H SER A 77 -12.748 19.946 -6.825 1.00 0.00 H new ATOM 0 HA SER A 77 -10.221 20.920 -5.785 1.00 0.00 H new ATOM 0 HB2 SER A 77 -10.380 22.029 -8.025 1.00 0.00 H new ATOM 0 HB3 SER A 77 -11.951 22.670 -7.587 1.00 0.00 H new ATOM 0 HG SER A 77 -10.243 24.188 -7.196 1.00 0.00 H new ATOM 1249 N GLY A 78 -11.584 21.574 -3.841 1.00 0.00 N ATOM 1250 CA GLY A 78 -12.368 21.963 -2.683 1.00 0.00 C ATOM 1251 C GLY A 78 -12.481 23.467 -2.539 1.00 0.00 C ATOM 1252 O GLY A 78 -12.080 24.229 -3.419 1.00 0.00 O ATOM 0 H GLY A 78 -10.636 21.262 -3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.366 21.533 -2.763 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -11.913 21.548 -1.784 1.00 0.00 H new ATOM 1256 N PRO A 79 -13.041 23.916 -1.406 1.00 0.00 N ATOM 1257 CA PRO A 79 -13.220 25.344 -1.123 1.00 0.00 C ATOM 1258 C PRO A 79 -11.896 26.054 -0.866 1.00 0.00 C ATOM 1259 O PRO A 79 -11.647 27.136 -1.398 1.00 0.00 O ATOM 1260 CB PRO A 79 -14.085 25.349 0.140 1.00 0.00 C ATOM 1261 CG PRO A 79 -13.800 24.043 0.799 1.00 0.00 C ATOM 1262 CD PRO A 79 -13.542 23.066 -0.314 1.00 0.00 C ATOM 0 HA PRO A 79 -13.667 25.874 -1.964 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -13.830 26.185 0.791 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -15.143 25.447 -0.105 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -12.936 24.119 1.459 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -14.643 23.723 1.412 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -12.811 22.311 -0.025 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -14.450 22.536 -0.602 1.00 0.00 H new ATOM 1270 N SER A 80 -11.049 25.439 -0.046 1.00 0.00 N ATOM 1271 CA SER A 80 -9.751 26.015 0.284 1.00 0.00 C ATOM 1272 C SER A 80 -8.755 25.799 -0.851 1.00 0.00 C ATOM 1273 O SER A 80 -8.934 24.913 -1.688 1.00 0.00 O ATOM 1274 CB SER A 80 -9.210 25.400 1.576 1.00 0.00 C ATOM 1275 OG SER A 80 -10.093 25.631 2.660 1.00 0.00 O ATOM 0 H SER A 80 -11.239 24.542 0.402 1.00 0.00 H new ATOM 0 HA SER A 80 -9.884 27.087 0.428 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.068 24.328 1.440 1.00 0.00 H new ATOM 0 HB3 SER A 80 -8.232 25.825 1.803 1.00 0.00 H new ATOM 0 HG SER A 80 -9.725 25.227 3.473 1.00 0.00 H new ATOM 1281 N SER A 81 -7.706 26.615 -0.874 1.00 0.00 N ATOM 1282 CA SER A 81 -6.683 26.516 -1.909 1.00 0.00 C ATOM 1283 C SER A 81 -5.920 25.200 -1.794 1.00 0.00 C ATOM 1284 O SER A 81 -5.409 24.857 -0.728 1.00 0.00 O ATOM 1285 CB SER A 81 -5.711 27.693 -1.808 1.00 0.00 C ATOM 1286 OG SER A 81 -5.131 27.767 -0.518 1.00 0.00 O ATOM 0 H SER A 81 -7.542 27.352 -0.188 1.00 0.00 H new ATOM 0 HA SER A 81 -7.178 26.545 -2.880 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.926 27.586 -2.557 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.237 28.622 -2.028 1.00 0.00 H new ATOM 0 HG SER A 81 -4.969 26.862 -0.180 1.00 0.00 H new ATOM 1292 N GLY A 82 -5.846 24.467 -2.901 1.00 0.00 N ATOM 1293 CA GLY A 82 -5.144 23.197 -2.904 1.00 0.00 C ATOM 1294 C GLY A 82 -3.663 23.353 -2.622 1.00 0.00 C ATOM 1295 O GLY A 82 -3.144 22.785 -1.661 1.00 0.00 O ATOM 0 H GLY A 82 -6.260 24.730 -3.795 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.586 22.539 -2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.278 22.714 -3.872 1.00 0.00 H new TER 1299 GLY A 82