USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 581 hydrogens (2 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 NoAdj-H: A 70 HIS HD1 : A 70 HIS ND1 : A 102 CUCU :(H bumps) USER MOD Set 1.1: A 37 ASN : amide:sc= -4.38! C(o=-8.1!,f=-2.4!) USER MOD Set 1.2: A 57 ASN : amide:sc= -3.7! K(o=-8.1!,f=-2.4) USER MOD Set 2.1: A 46 THR OG1 : rot 160:sc= 0.0452 USER MOD Set 2.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 30 ASN : amide:sc= -13.3! C(o=-17!,f=-14!) USER MOD Set 3.2: A 34 LYS NZ :NH3+ -131:sc= -3.92! (180deg=-6.51!) USER MOD Set 4.1: A 19 HIS : no HE2:sc= -3.89 K(o=-3.9,f=-5!) USER MOD Set 4.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 16 SER OG : rot -160:sc= 0.0249 USER MOD Set 5.2: A 28 MET CE :methyl -125:sc= -0.0632 (180deg=-3.07!) USER MOD Single : A 1 VAL N :NH3+ 167:sc= -4.6! (180deg=-4.71!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 145:sc= -1.51 (180deg=-5.07!) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.96 USER MOD Single : A 10 TYR OH : rot 30:sc= -0.36 USER MOD Single : A 13 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.82) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -106:sc= 0.962 (180deg=0.0455) USER MOD Single : A 26 MET CE :methyl -162:sc=-0.00779 (180deg=-0.0478) USER MOD Single : A 31 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.309) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -136:sc= -0.192 (180deg=-1.31!) USER MOD Single : A 44 MET CE :methyl -155:sc= -1.94 (180deg=-3.2!) USER MOD Single : A 51 LYS NZ :NH3+ 172:sc= -1.78 (180deg=-2.22!) USER MOD Single : A 54 MET CE :methyl 161:sc= -2.37 (180deg=-3.33) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -4.237 16.829 -0.992 1.00 0.00 N ATOM 2 CA VAL A 1 -3.279 17.306 0.054 1.00 0.00 C ATOM 3 C VAL A 1 -3.501 16.530 1.345 1.00 0.00 C ATOM 4 O VAL A 1 -3.412 17.088 2.440 1.00 0.00 O ATOM 5 CB VAL A 1 -3.459 18.812 0.292 1.00 0.00 C ATOM 6 CG1 VAL A 1 -3.206 19.566 -1.013 1.00 0.00 C ATOM 7 CG2 VAL A 1 -4.882 19.114 0.778 1.00 0.00 C ATOM 0 H1 VAL A 1 -4.239 17.495 -1.790 1.00 0.00 H new ATOM 0 H2 VAL A 1 -3.945 15.888 -1.327 1.00 0.00 H new ATOM 0 H3 VAL A 1 -5.193 16.771 -0.587 1.00 0.00 H new ATOM 0 HA VAL A 1 -2.259 17.134 -0.289 1.00 0.00 H new ATOM 0 HB VAL A 1 -2.749 19.132 1.054 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -3.333 20.636 -0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -2.190 19.371 -1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -3.914 19.230 -1.770 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -4.991 20.186 0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -5.600 18.787 0.026 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -5.068 18.584 1.712 1.00 0.00 H new ATOM 18 N ASP A 2 -3.800 15.240 1.212 1.00 0.00 N ATOM 19 CA ASP A 2 -4.045 14.388 2.373 1.00 0.00 C ATOM 20 C ASP A 2 -3.553 12.967 2.108 1.00 0.00 C ATOM 21 O ASP A 2 -3.805 12.401 1.044 1.00 0.00 O ATOM 22 CB ASP A 2 -5.547 14.372 2.688 1.00 0.00 C ATOM 23 CG ASP A 2 -6.146 15.749 2.423 1.00 0.00 C ATOM 24 OD1 ASP A 2 -6.064 16.201 1.290 1.00 0.00 O ATOM 25 OD2 ASP A 2 -6.677 16.332 3.352 1.00 0.00 O ATOM 0 H ASP A 2 -3.878 14.763 0.314 1.00 0.00 H new ATOM 0 HA ASP A 2 -3.498 14.788 3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -6.048 13.623 2.075 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -5.706 14.090 3.729 1.00 0.00 H new ATOM 30 N MET A 3 -2.849 12.398 3.081 1.00 0.00 N ATOM 31 CA MET A 3 -2.326 11.044 2.943 1.00 0.00 C ATOM 32 C MET A 3 -3.450 10.067 2.613 1.00 0.00 C ATOM 33 O MET A 3 -3.233 9.061 1.936 1.00 0.00 O ATOM 34 CB MET A 3 -1.638 10.614 4.239 1.00 0.00 C ATOM 35 CG MET A 3 -0.404 11.486 4.476 1.00 0.00 C ATOM 36 SD MET A 3 0.362 11.034 6.051 1.00 0.00 S ATOM 37 CE MET A 3 1.513 12.425 6.153 1.00 0.00 C ATOM 0 H MET A 3 -2.629 12.850 3.968 1.00 0.00 H new ATOM 0 HA MET A 3 -1.602 11.036 2.129 1.00 0.00 H new ATOM 0 HB2 MET A 3 -2.328 10.707 5.078 1.00 0.00 H new ATOM 0 HB3 MET A 3 -1.349 9.565 4.179 1.00 0.00 H new ATOM 0 HG2 MET A 3 0.309 11.355 3.662 1.00 0.00 H new ATOM 0 HG3 MET A 3 -0.686 12.539 4.486 1.00 0.00 H new ATOM 0 HE1 MET A 3 2.100 12.345 7.068 1.00 0.00 H new ATOM 0 HE2 MET A 3 2.180 12.409 5.291 1.00 0.00 H new ATOM 0 HE3 MET A 3 0.953 13.360 6.161 1.00 0.00 H new ATOM 47 N SER A 4 -4.652 10.369 3.095 1.00 0.00 N ATOM 48 CA SER A 4 -5.803 9.510 2.846 1.00 0.00 C ATOM 49 C SER A 4 -6.023 9.332 1.346 1.00 0.00 C ATOM 50 O SER A 4 -6.628 8.351 0.911 1.00 0.00 O ATOM 51 CB SER A 4 -7.055 10.117 3.478 1.00 0.00 C ATOM 52 OG SER A 4 -8.148 9.223 3.311 1.00 0.00 O ATOM 0 H SER A 4 -4.853 11.197 3.656 1.00 0.00 H new ATOM 0 HA SER A 4 -5.608 8.535 3.292 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.885 10.308 4.538 1.00 0.00 H new ATOM 0 HB3 SER A 4 -7.282 11.077 3.014 1.00 0.00 H new ATOM 0 HG SER A 4 -8.952 9.610 3.717 1.00 0.00 H new ATOM 58 N ASN A 5 -5.531 10.285 0.564 1.00 0.00 N ATOM 59 CA ASN A 5 -5.680 10.224 -0.886 1.00 0.00 C ATOM 60 C ASN A 5 -4.724 9.194 -1.480 1.00 0.00 C ATOM 61 O ASN A 5 -3.523 9.438 -1.588 1.00 0.00 O ATOM 62 CB ASN A 5 -5.399 11.596 -1.499 1.00 0.00 C ATOM 63 CG ASN A 5 -5.677 11.566 -2.997 1.00 0.00 C ATOM 64 OD1 ASN A 5 -4.766 11.753 -3.804 1.00 0.00 O ATOM 65 ND2 ASN A 5 -6.892 11.340 -3.421 1.00 0.00 N ATOM 0 H ASN A 5 -5.029 11.104 0.906 1.00 0.00 H new ATOM 0 HA ASN A 5 -6.704 9.928 -1.114 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -6.022 12.351 -1.020 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.362 11.878 -1.319 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -7.087 11.318 -4.422 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.645 11.185 -2.751 1.00 0.00 H new ATOM 72 N VAL A 6 -5.269 8.038 -1.863 1.00 0.00 N ATOM 73 CA VAL A 6 -4.462 6.963 -2.450 1.00 0.00 C ATOM 74 C VAL A 6 -5.115 6.450 -3.731 1.00 0.00 C ATOM 75 O VAL A 6 -6.327 6.562 -3.909 1.00 0.00 O ATOM 76 CB VAL A 6 -4.325 5.814 -1.452 1.00 0.00 C ATOM 77 CG1 VAL A 6 -3.432 6.251 -0.289 1.00 0.00 C ATOM 78 CG2 VAL A 6 -5.709 5.436 -0.916 1.00 0.00 C ATOM 0 H VAL A 6 -6.262 7.821 -1.778 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.474 7.358 -2.688 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.879 4.953 -1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.334 5.431 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.447 6.521 -0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.878 7.112 0.208 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.612 4.616 -0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.154 6.298 -0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.347 5.124 -1.743 1.00 0.00 H new ATOM 88 N VAL A 7 -4.301 5.885 -4.616 1.00 0.00 N ATOM 89 CA VAL A 7 -4.810 5.357 -5.877 1.00 0.00 C ATOM 90 C VAL A 7 -5.488 4.006 -5.658 1.00 0.00 C ATOM 91 O VAL A 7 -6.230 3.528 -6.516 1.00 0.00 O ATOM 92 CB VAL A 7 -3.667 5.203 -6.880 1.00 0.00 C ATOM 93 CG1 VAL A 7 -2.687 4.144 -6.377 1.00 0.00 C ATOM 94 CG2 VAL A 7 -4.233 4.769 -8.234 1.00 0.00 C ATOM 0 H VAL A 7 -3.295 5.781 -4.486 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.545 6.058 -6.273 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.149 6.156 -6.989 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.872 4.034 -7.092 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.284 4.450 -5.412 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.205 3.191 -6.268 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.419 4.659 -8.950 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.751 3.816 -8.123 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.933 5.523 -8.594 1.00 0.00 H new ATOM 104 N LYS A 8 -5.228 3.397 -4.502 1.00 0.00 N ATOM 105 CA LYS A 8 -5.820 2.101 -4.173 1.00 0.00 C ATOM 106 C LYS A 8 -6.048 1.983 -2.671 1.00 0.00 C ATOM 107 O LYS A 8 -5.323 2.575 -1.871 1.00 0.00 O ATOM 108 CB LYS A 8 -4.894 0.962 -4.630 1.00 0.00 C ATOM 109 CG LYS A 8 -5.660 -0.395 -4.622 1.00 0.00 C ATOM 110 CD LYS A 8 -5.914 -0.886 -6.060 1.00 0.00 C ATOM 111 CE LYS A 8 -6.930 0.026 -6.765 1.00 0.00 C ATOM 112 NZ LYS A 8 -6.234 1.231 -7.299 1.00 0.00 N ATOM 0 H LYS A 8 -4.615 3.777 -3.781 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.777 2.025 -4.690 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.519 1.169 -5.632 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.028 0.902 -3.971 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.083 -1.140 -4.075 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.609 -0.279 -4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.978 -0.898 -6.618 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.287 -1.910 -6.041 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.417 -0.514 -7.577 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.712 0.325 -6.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.675 1.517 -8.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.310 2.009 -6.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.231 1.009 -7.461 1.00 0.00 H new ATOM 126 N THR A 9 -7.059 1.204 -2.295 1.00 0.00 N ATOM 127 CA THR A 9 -7.377 0.998 -0.886 1.00 0.00 C ATOM 128 C THR A 9 -8.080 -0.340 -0.693 1.00 0.00 C ATOM 129 O THR A 9 -9.227 -0.514 -1.108 1.00 0.00 O ATOM 130 CB THR A 9 -8.278 2.128 -0.384 1.00 0.00 C ATOM 131 OG1 THR A 9 -7.727 3.379 -0.770 1.00 0.00 O ATOM 132 CG2 THR A 9 -8.383 2.062 1.140 1.00 0.00 C ATOM 0 H THR A 9 -7.669 0.707 -2.944 1.00 0.00 H new ATOM 0 HA THR A 9 -6.448 0.996 -0.316 1.00 0.00 H new ATOM 0 HB THR A 9 -9.272 2.020 -0.818 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.304 4.103 -0.450 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.025 2.868 1.496 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.808 1.102 1.434 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.391 2.169 1.578 1.00 0.00 H new ATOM 140 N TYR A 10 -7.389 -1.284 -0.052 1.00 0.00 N ATOM 141 CA TYR A 10 -7.954 -2.612 0.204 1.00 0.00 C ATOM 142 C TYR A 10 -8.271 -2.765 1.690 1.00 0.00 C ATOM 143 O TYR A 10 -7.366 -2.849 2.520 1.00 0.00 O ATOM 144 CB TYR A 10 -6.961 -3.704 -0.224 1.00 0.00 C ATOM 145 CG TYR A 10 -6.925 -3.828 -1.738 1.00 0.00 C ATOM 146 CD1 TYR A 10 -8.081 -4.198 -2.443 1.00 0.00 C ATOM 147 CD2 TYR A 10 -5.733 -3.580 -2.440 1.00 0.00 C ATOM 148 CE1 TYR A 10 -8.046 -4.315 -3.837 1.00 0.00 C ATOM 149 CE2 TYR A 10 -5.702 -3.701 -3.834 1.00 0.00 C ATOM 150 CZ TYR A 10 -6.858 -4.067 -4.532 1.00 0.00 C ATOM 151 OH TYR A 10 -6.825 -4.185 -5.907 1.00 0.00 O ATOM 0 H TYR A 10 -6.440 -1.155 0.299 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.871 -2.718 -0.375 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.966 -3.466 0.151 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -7.248 -4.658 0.218 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.999 -4.393 -1.909 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.840 -3.296 -1.903 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.938 -4.597 -4.377 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.785 -3.512 -4.372 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.708 -3.972 -6.275 1.00 0.00 H new ATOM 161 N ASP A 11 -9.558 -2.790 2.019 1.00 0.00 N ATOM 162 CA ASP A 11 -9.981 -2.922 3.408 1.00 0.00 C ATOM 163 C ASP A 11 -9.601 -4.290 3.967 1.00 0.00 C ATOM 164 O ASP A 11 -10.353 -5.255 3.837 1.00 0.00 O ATOM 165 CB ASP A 11 -11.491 -2.732 3.512 1.00 0.00 C ATOM 166 CG ASP A 11 -11.852 -1.271 3.270 1.00 0.00 C ATOM 167 OD1 ASP A 11 -11.505 -0.449 4.103 1.00 0.00 O ATOM 168 OD2 ASP A 11 -12.468 -0.993 2.255 1.00 0.00 O ATOM 0 H ASP A 11 -10.322 -2.721 1.347 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.473 -2.154 3.992 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.996 -3.365 2.783 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.838 -3.042 4.498 1.00 0.00 H new ATOM 173 N LEU A 12 -8.436 -4.356 4.598 1.00 0.00 N ATOM 174 CA LEU A 12 -7.952 -5.602 5.186 1.00 0.00 C ATOM 175 C LEU A 12 -8.773 -5.950 6.430 1.00 0.00 C ATOM 176 O LEU A 12 -9.430 -5.088 7.015 1.00 0.00 O ATOM 177 CB LEU A 12 -6.452 -5.445 5.550 1.00 0.00 C ATOM 178 CG LEU A 12 -5.550 -6.280 4.606 1.00 0.00 C ATOM 179 CD1 LEU A 12 -5.876 -5.980 3.129 1.00 0.00 C ATOM 180 CD2 LEU A 12 -4.061 -5.964 4.894 1.00 0.00 C ATOM 0 H LEU A 12 -7.807 -3.562 4.717 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.062 -6.413 4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.170 -4.394 5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.292 -5.760 6.581 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.739 -7.338 4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.230 -6.578 2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.918 -6.228 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.710 -4.922 2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.429 -6.552 4.229 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.875 -4.903 4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.830 -6.214 5.929 1.00 0.00 H new ATOM 192 N GLN A 13 -8.724 -7.218 6.827 1.00 0.00 N ATOM 193 CA GLN A 13 -9.462 -7.669 8.001 1.00 0.00 C ATOM 194 C GLN A 13 -8.759 -7.220 9.277 1.00 0.00 C ATOM 195 O GLN A 13 -9.357 -7.199 10.353 1.00 0.00 O ATOM 196 CB GLN A 13 -9.578 -9.194 7.989 1.00 0.00 C ATOM 197 CG GLN A 13 -10.562 -9.622 6.899 1.00 0.00 C ATOM 198 CD GLN A 13 -10.550 -11.140 6.751 1.00 0.00 C ATOM 199 OE1 GLN A 13 -10.534 -11.656 5.634 1.00 0.00 O ATOM 200 NE2 GLN A 13 -10.557 -11.890 7.819 1.00 0.00 N ATOM 0 H GLN A 13 -8.186 -7.946 6.357 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.459 -7.229 7.974 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.601 -9.642 7.808 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.918 -9.551 8.961 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.566 -9.281 7.150 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.294 -9.154 5.952 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.570 -11.460 8.744 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.549 -12.906 7.729 1.00 0.00 H new ATOM 209 N ASP A 14 -7.484 -6.862 9.150 1.00 0.00 N ATOM 210 CA ASP A 14 -6.706 -6.414 10.299 1.00 0.00 C ATOM 211 C ASP A 14 -6.992 -4.945 10.598 1.00 0.00 C ATOM 212 O ASP A 14 -6.266 -4.302 11.354 1.00 0.00 O ATOM 213 CB ASP A 14 -5.213 -6.595 10.021 1.00 0.00 C ATOM 214 CG ASP A 14 -4.893 -8.076 9.841 1.00 0.00 C ATOM 215 OD1 ASP A 14 -5.417 -8.872 10.605 1.00 0.00 O ATOM 216 OD2 ASP A 14 -4.130 -8.392 8.945 1.00 0.00 O ATOM 0 H ASP A 14 -6.971 -6.873 8.268 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.991 -7.014 11.163 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.932 -6.042 9.125 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.629 -6.185 10.845 1.00 0.00 H new ATOM 221 N GLY A 15 -8.057 -4.422 9.998 1.00 0.00 N ATOM 222 CA GLY A 15 -8.430 -3.028 10.206 1.00 0.00 C ATOM 223 C GLY A 15 -7.518 -2.099 9.414 1.00 0.00 C ATOM 224 O GLY A 15 -7.787 -0.903 9.292 1.00 0.00 O ATOM 0 H GLY A 15 -8.672 -4.938 9.369 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.465 -2.875 9.902 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.370 -2.786 11.267 1.00 0.00 H new ATOM 228 N SER A 16 -6.434 -2.656 8.879 1.00 0.00 N ATOM 229 CA SER A 16 -5.485 -1.868 8.101 1.00 0.00 C ATOM 230 C SER A 16 -5.998 -1.663 6.679 1.00 0.00 C ATOM 231 O SER A 16 -7.103 -2.086 6.340 1.00 0.00 O ATOM 232 CB SER A 16 -4.131 -2.576 8.060 1.00 0.00 C ATOM 233 OG SER A 16 -4.324 -3.935 7.688 1.00 0.00 O ATOM 0 H SER A 16 -6.193 -3.643 8.970 1.00 0.00 H new ATOM 0 HA SER A 16 -5.372 -0.894 8.578 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.470 -2.082 7.347 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.648 -2.519 9.035 1.00 0.00 H new ATOM 0 HG SER A 16 -3.544 -4.462 7.960 1.00 0.00 H new ATOM 239 N LYS A 17 -5.184 -1.014 5.851 1.00 0.00 N ATOM 240 CA LYS A 17 -5.557 -0.754 4.461 1.00 0.00 C ATOM 241 C LYS A 17 -4.316 -0.681 3.584 1.00 0.00 C ATOM 242 O LYS A 17 -3.392 0.083 3.861 1.00 0.00 O ATOM 243 CB LYS A 17 -6.323 0.567 4.364 1.00 0.00 C ATOM 244 CG LYS A 17 -7.642 0.451 5.126 1.00 0.00 C ATOM 245 CD LYS A 17 -8.543 1.640 4.781 1.00 0.00 C ATOM 246 CE LYS A 17 -7.897 2.940 5.266 1.00 0.00 C ATOM 247 NZ LYS A 17 -8.929 4.014 5.326 1.00 0.00 N ATOM 0 H LYS A 17 -4.265 -0.659 6.116 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.191 -1.570 4.115 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.723 1.378 4.777 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.515 0.812 3.319 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.141 -0.483 4.868 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.452 0.425 6.199 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.706 1.684 3.704 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.521 1.514 5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.452 2.793 6.250 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.091 3.232 4.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.491 4.898 5.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.334 4.160 4.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.683 3.734 5.985 1.00 0.00 H new ATOM 261 N VAL A 18 -4.299 -1.478 2.519 1.00 0.00 N ATOM 262 CA VAL A 18 -3.157 -1.487 1.606 1.00 0.00 C ATOM 263 C VAL A 18 -3.267 -0.316 0.621 1.00 0.00 C ATOM 264 O VAL A 18 -4.367 0.128 0.297 1.00 0.00 O ATOM 265 CB VAL A 18 -3.093 -2.811 0.812 1.00 0.00 C ATOM 266 CG1 VAL A 18 -1.651 -3.096 0.385 1.00 0.00 C ATOM 267 CG2 VAL A 18 -3.604 -3.987 1.654 1.00 0.00 C ATOM 0 H VAL A 18 -5.052 -2.119 2.268 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.249 -1.389 2.201 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.729 -2.703 -0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.615 -4.031 -0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.291 -2.283 -0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.019 -3.178 1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.547 -4.905 1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.990 -4.088 2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.639 -3.805 1.943 1.00 0.00 H new ATOM 277 N HIS A 19 -2.123 0.164 0.132 1.00 0.00 N ATOM 278 CA HIS A 19 -2.104 1.268 -0.836 1.00 0.00 C ATOM 279 C HIS A 19 -0.986 1.031 -1.857 1.00 0.00 C ATOM 280 O HIS A 19 0.187 0.971 -1.492 1.00 0.00 O ATOM 281 CB HIS A 19 -1.930 2.615 -0.083 1.00 0.00 C ATOM 282 CG HIS A 19 -0.505 3.118 -0.144 1.00 0.00 C ATOM 283 ND1 HIS A 19 -0.117 4.108 -1.032 1.00 0.00 N ATOM 284 CD2 HIS A 19 0.627 2.788 0.566 1.00 0.00 C ATOM 285 CE1 HIS A 19 1.192 4.339 -0.837 1.00 0.00 C ATOM 286 NE2 HIS A 19 1.696 3.561 0.125 1.00 0.00 N ATOM 0 H HIS A 19 -1.201 -0.190 0.387 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.047 1.313 -1.380 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.597 3.361 -0.516 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.226 2.489 0.959 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -0.717 4.577 -1.711 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.677 2.043 1.346 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.767 5.066 -1.391 1.00 0.00 H new ATOM 295 N VAL A 20 -1.350 0.869 -3.134 1.00 0.00 N ATOM 296 CA VAL A 20 -0.349 0.606 -4.176 1.00 0.00 C ATOM 297 C VAL A 20 0.102 1.890 -4.871 1.00 0.00 C ATOM 298 O VAL A 20 -0.610 2.895 -4.885 1.00 0.00 O ATOM 299 CB VAL A 20 -0.891 -0.424 -5.207 1.00 0.00 C ATOM 300 CG1 VAL A 20 -1.917 -1.365 -4.539 1.00 0.00 C ATOM 301 CG2 VAL A 20 -1.557 0.287 -6.398 1.00 0.00 C ATOM 0 H VAL A 20 -2.313 0.914 -3.468 1.00 0.00 H new ATOM 0 HA VAL A 20 0.528 0.180 -3.689 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.044 -1.006 -5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.287 -2.080 -5.274 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.439 -1.901 -3.719 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.750 -0.779 -4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.928 -0.456 -7.104 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.389 0.894 -6.041 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.827 0.927 -6.894 1.00 0.00 H new ATOM 311 N PHE A 21 1.302 1.830 -5.449 1.00 0.00 N ATOM 312 CA PHE A 21 1.884 2.967 -6.157 1.00 0.00 C ATOM 313 C PHE A 21 1.653 2.836 -7.659 1.00 0.00 C ATOM 314 O PHE A 21 0.850 2.017 -8.104 1.00 0.00 O ATOM 315 CB PHE A 21 3.389 3.017 -5.886 1.00 0.00 C ATOM 316 CG PHE A 21 3.626 3.325 -4.429 1.00 0.00 C ATOM 317 CD1 PHE A 21 3.661 2.285 -3.492 1.00 0.00 C ATOM 318 CD2 PHE A 21 3.815 4.648 -4.012 1.00 0.00 C ATOM 319 CE1 PHE A 21 3.882 2.568 -2.140 1.00 0.00 C ATOM 320 CE2 PHE A 21 4.036 4.932 -2.659 1.00 0.00 C ATOM 321 CZ PHE A 21 4.068 3.891 -1.723 1.00 0.00 C ATOM 0 H PHE A 21 1.893 0.998 -5.439 1.00 0.00 H new ATOM 0 HA PHE A 21 1.407 3.881 -5.802 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.848 2.064 -6.147 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.857 3.778 -6.511 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.517 1.264 -3.813 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.790 5.450 -4.735 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.909 1.765 -1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.182 5.953 -2.338 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.236 4.109 -0.679 1.00 0.00 H new ATOM 331 N LYS A 22 2.369 3.643 -8.433 1.00 0.00 N ATOM 332 CA LYS A 22 2.242 3.603 -9.885 1.00 0.00 C ATOM 333 C LYS A 22 2.996 2.404 -10.449 1.00 0.00 C ATOM 334 O LYS A 22 2.736 1.964 -11.569 1.00 0.00 O ATOM 335 CB LYS A 22 2.795 4.892 -10.495 1.00 0.00 C ATOM 336 CG LYS A 22 1.982 6.088 -9.991 1.00 0.00 C ATOM 337 CD LYS A 22 2.744 7.385 -10.278 1.00 0.00 C ATOM 338 CE LYS A 22 2.871 7.584 -11.790 1.00 0.00 C ATOM 339 NZ LYS A 22 3.259 8.994 -12.073 1.00 0.00 N ATOM 0 H LYS A 22 3.039 4.328 -8.083 1.00 0.00 H new ATOM 0 HA LYS A 22 1.186 3.509 -10.139 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.844 5.013 -10.226 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.749 4.841 -11.583 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.008 6.111 -10.480 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.799 5.991 -8.921 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.221 8.231 -9.833 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.733 7.346 -9.822 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.617 6.901 -12.196 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.925 7.350 -12.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.346 9.131 -13.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.532 9.636 -11.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.171 9.201 -11.618 1.00 0.00 H new ATOM 353 N ASP A 23 3.931 1.879 -9.662 1.00 0.00 N ATOM 354 CA ASP A 23 4.721 0.728 -10.089 1.00 0.00 C ATOM 355 C ASP A 23 3.918 -0.560 -9.937 1.00 0.00 C ATOM 356 O ASP A 23 4.372 -1.636 -10.322 1.00 0.00 O ATOM 357 CB ASP A 23 6.001 0.633 -9.260 1.00 0.00 C ATOM 358 CG ASP A 23 6.854 1.879 -9.473 1.00 0.00 C ATOM 359 OD1 ASP A 23 7.579 1.917 -10.453 1.00 0.00 O ATOM 360 OD2 ASP A 23 6.770 2.779 -8.651 1.00 0.00 O ATOM 0 H ASP A 23 4.159 2.229 -8.732 1.00 0.00 H new ATOM 0 HA ASP A 23 4.979 0.861 -11.140 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.753 0.528 -8.204 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.564 -0.256 -9.545 1.00 0.00 H new ATOM 365 N GLY A 24 2.716 -0.439 -9.376 1.00 0.00 N ATOM 366 CA GLY A 24 1.848 -1.597 -9.178 1.00 0.00 C ATOM 367 C GLY A 24 2.113 -2.264 -7.830 1.00 0.00 C ATOM 368 O GLY A 24 1.283 -3.027 -7.335 1.00 0.00 O ATOM 0 H GLY A 24 2.323 0.445 -9.052 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.805 -1.286 -9.234 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.009 -2.317 -9.980 1.00 0.00 H new ATOM 372 N LYS A 25 3.264 -1.968 -7.234 1.00 0.00 N ATOM 373 CA LYS A 25 3.602 -2.548 -5.937 1.00 0.00 C ATOM 374 C LYS A 25 2.607 -2.052 -4.893 1.00 0.00 C ATOM 375 O LYS A 25 2.154 -0.914 -4.956 1.00 0.00 O ATOM 376 CB LYS A 25 5.024 -2.119 -5.554 1.00 0.00 C ATOM 377 CG LYS A 25 6.045 -2.984 -6.301 1.00 0.00 C ATOM 378 CD LYS A 25 7.458 -2.598 -5.860 1.00 0.00 C ATOM 379 CE LYS A 25 8.482 -3.289 -6.761 1.00 0.00 C ATOM 380 NZ LYS A 25 9.847 -2.791 -6.435 1.00 0.00 N ATOM 0 H LYS A 25 3.969 -1.340 -7.620 1.00 0.00 H new ATOM 0 HA LYS A 25 3.555 -3.636 -5.987 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.175 -1.068 -5.799 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.167 -2.219 -4.478 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.864 -4.039 -6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.937 -2.846 -7.377 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.584 -1.517 -5.912 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.618 -2.888 -4.821 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.435 -4.369 -6.622 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.252 -3.092 -7.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.171 -2.150 -7.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.823 -2.279 -5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.501 -3.596 -6.360 1.00 0.00 H new ATOM 394 N MET A 26 2.276 -2.913 -3.936 1.00 0.00 N ATOM 395 CA MET A 26 1.325 -2.554 -2.887 1.00 0.00 C ATOM 396 C MET A 26 1.999 -1.680 -1.825 1.00 0.00 C ATOM 397 O MET A 26 3.105 -1.180 -2.028 1.00 0.00 O ATOM 398 CB MET A 26 0.749 -3.836 -2.251 1.00 0.00 C ATOM 399 CG MET A 26 -0.498 -4.272 -3.027 1.00 0.00 C ATOM 400 SD MET A 26 -0.972 -5.947 -2.533 1.00 0.00 S ATOM 401 CE MET A 26 -1.460 -6.551 -4.168 1.00 0.00 C ATOM 0 H MET A 26 2.649 -3.860 -3.864 1.00 0.00 H new ATOM 0 HA MET A 26 0.510 -1.979 -3.327 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.496 -4.630 -2.265 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.496 -3.655 -1.206 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.318 -3.580 -2.834 1.00 0.00 H new ATOM 0 HG3 MET A 26 -0.300 -4.241 -4.098 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.078 -7.442 -4.057 1.00 0.00 H new ATOM 0 HE2 MET A 26 -2.027 -5.778 -4.687 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.569 -6.797 -4.746 1.00 0.00 H new ATOM 411 N GLY A 27 1.322 -1.496 -0.698 1.00 0.00 N ATOM 412 CA GLY A 27 1.868 -0.683 0.385 1.00 0.00 C ATOM 413 C GLY A 27 1.136 -0.972 1.686 1.00 0.00 C ATOM 414 O GLY A 27 -0.062 -0.726 1.796 1.00 0.00 O ATOM 0 H GLY A 27 0.402 -1.894 -0.510 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.931 -0.892 0.504 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.777 0.374 0.136 1.00 0.00 H new ATOM 418 N MET A 28 1.854 -1.514 2.664 1.00 0.00 N ATOM 419 CA MET A 28 1.250 -1.859 3.946 1.00 0.00 C ATOM 420 C MET A 28 1.268 -0.677 4.912 1.00 0.00 C ATOM 421 O MET A 28 2.204 0.123 4.924 1.00 0.00 O ATOM 422 CB MET A 28 2.008 -3.038 4.561 1.00 0.00 C ATOM 423 CG MET A 28 1.157 -3.693 5.645 1.00 0.00 C ATOM 424 SD MET A 28 -0.276 -4.529 4.905 1.00 0.00 S ATOM 425 CE MET A 28 -1.386 -4.413 6.331 1.00 0.00 C ATOM 0 H MET A 28 2.850 -1.723 2.594 1.00 0.00 H new ATOM 0 HA MET A 28 0.209 -2.131 3.770 1.00 0.00 H new ATOM 0 HB2 MET A 28 2.253 -3.767 3.789 1.00 0.00 H new ATOM 0 HB3 MET A 28 2.951 -2.694 4.985 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.757 -4.412 6.203 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.819 -2.939 6.356 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.744 -5.408 6.595 1.00 0.00 H new ATOM 0 HE2 MET A 28 -0.848 -3.984 7.177 1.00 0.00 H new ATOM 0 HE3 MET A 28 -2.235 -3.777 6.080 1.00 0.00 H new ATOM 435 N GLU A 29 0.222 -0.591 5.728 1.00 0.00 N ATOM 436 CA GLU A 29 0.099 0.478 6.715 1.00 0.00 C ATOM 437 C GLU A 29 -0.817 0.024 7.852 1.00 0.00 C ATOM 438 O GLU A 29 -1.990 -0.268 7.629 1.00 0.00 O ATOM 439 CB GLU A 29 -0.477 1.734 6.059 1.00 0.00 C ATOM 440 CG GLU A 29 -0.340 2.920 7.016 1.00 0.00 C ATOM 441 CD GLU A 29 -1.165 4.098 6.507 1.00 0.00 C ATOM 442 OE1 GLU A 29 -2.302 3.876 6.124 1.00 0.00 O ATOM 443 OE2 GLU A 29 -0.650 5.203 6.509 1.00 0.00 O ATOM 0 H GLU A 29 -0.556 -1.251 5.725 1.00 0.00 H new ATOM 0 HA GLU A 29 1.086 0.708 7.115 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.048 1.943 5.127 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.526 1.577 5.806 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.675 2.634 8.013 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.707 3.209 7.103 1.00 0.00 H new ATOM 450 N ASN A 30 -0.275 -0.043 9.067 1.00 0.00 N ATOM 451 CA ASN A 30 -1.068 -0.478 10.213 1.00 0.00 C ATOM 452 C ASN A 30 -2.244 0.471 10.447 1.00 0.00 C ATOM 453 O ASN A 30 -2.206 1.635 10.045 1.00 0.00 O ATOM 454 CB ASN A 30 -0.184 -0.571 11.470 1.00 0.00 C ATOM 455 CG ASN A 30 0.035 0.807 12.088 1.00 0.00 C ATOM 456 OD1 ASN A 30 0.391 0.911 13.262 1.00 0.00 O ATOM 457 ND2 ASN A 30 -0.155 1.873 11.367 1.00 0.00 N ATOM 0 H ASN A 30 0.694 0.194 9.281 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.470 -1.468 10.000 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.652 -1.231 12.200 1.00 0.00 H new ATOM 0 HB3 ASN A 30 0.778 -1.014 11.211 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.009 2.797 11.774 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.450 1.785 10.395 1.00 0.00 H new ATOM 464 N LYS A 31 -3.290 -0.039 11.090 1.00 0.00 N ATOM 465 CA LYS A 31 -4.480 0.762 11.362 1.00 0.00 C ATOM 466 C LYS A 31 -4.120 2.082 12.046 1.00 0.00 C ATOM 467 O LYS A 31 -4.984 2.931 12.261 1.00 0.00 O ATOM 468 CB LYS A 31 -5.467 -0.024 12.241 1.00 0.00 C ATOM 469 CG LYS A 31 -4.727 -0.757 13.374 1.00 0.00 C ATOM 470 CD LYS A 31 -4.082 0.253 14.341 1.00 0.00 C ATOM 471 CE LYS A 31 -3.944 -0.375 15.735 1.00 0.00 C ATOM 472 NZ LYS A 31 -3.019 0.451 16.562 1.00 0.00 N ATOM 0 H LYS A 31 -3.339 -0.999 11.431 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.950 0.988 10.405 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.206 0.657 12.664 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.011 -0.745 11.630 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.424 -1.395 13.917 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.960 -1.407 12.954 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.102 0.552 13.968 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.691 1.156 14.398 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.920 -0.438 16.215 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.563 -1.393 15.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.711 -0.097 17.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.189 0.716 15.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.511 1.311 16.879 1.00 0.00 H new ATOM 486 N PHE A 32 -2.846 2.249 12.389 1.00 0.00 N ATOM 487 CA PHE A 32 -2.390 3.469 13.055 1.00 0.00 C ATOM 488 C PHE A 32 -1.877 4.480 12.028 1.00 0.00 C ATOM 489 O PHE A 32 -1.192 5.442 12.378 1.00 0.00 O ATOM 490 CB PHE A 32 -1.273 3.118 14.060 1.00 0.00 C ATOM 491 CG PHE A 32 -1.298 4.077 15.230 1.00 0.00 C ATOM 492 CD1 PHE A 32 -2.240 3.905 16.251 1.00 0.00 C ATOM 493 CD2 PHE A 32 -0.382 5.134 15.292 1.00 0.00 C ATOM 494 CE1 PHE A 32 -2.267 4.790 17.335 1.00 0.00 C ATOM 495 CE2 PHE A 32 -0.409 6.021 16.377 1.00 0.00 C ATOM 496 CZ PHE A 32 -1.351 5.848 17.398 1.00 0.00 C ATOM 0 H PHE A 32 -2.113 1.560 12.219 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.228 3.918 13.588 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.403 2.096 14.416 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.303 3.162 13.566 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.946 3.089 16.202 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.345 5.266 14.504 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.994 4.657 18.123 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.296 6.837 16.425 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.372 6.531 18.235 1.00 0.00 H new ATOM 506 N GLY A 33 -2.208 4.251 10.761 1.00 0.00 N ATOM 507 CA GLY A 33 -1.771 5.143 9.694 1.00 0.00 C ATOM 508 C GLY A 33 -0.257 5.082 9.535 1.00 0.00 C ATOM 509 O GLY A 33 0.325 5.798 8.719 1.00 0.00 O ATOM 0 H GLY A 33 -2.773 3.461 10.450 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.253 4.863 8.757 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.078 6.165 9.917 1.00 0.00 H new ATOM 513 N LYS A 34 0.374 4.215 10.323 1.00 0.00 N ATOM 514 CA LYS A 34 1.827 4.046 10.281 1.00 0.00 C ATOM 515 C LYS A 34 2.200 2.880 9.372 1.00 0.00 C ATOM 516 O LYS A 34 1.355 2.058 9.023 1.00 0.00 O ATOM 517 CB LYS A 34 2.354 3.777 11.693 1.00 0.00 C ATOM 518 CG LYS A 34 3.887 3.787 11.690 1.00 0.00 C ATOM 519 CD LYS A 34 4.404 3.937 13.124 1.00 0.00 C ATOM 520 CE LYS A 34 3.792 2.851 14.013 1.00 0.00 C ATOM 521 NZ LYS A 34 2.394 3.228 14.366 1.00 0.00 N ATOM 0 H LYS A 34 -0.098 3.616 11.001 1.00 0.00 H new ATOM 0 HA LYS A 34 2.274 4.959 9.888 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.978 4.534 12.381 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.989 2.814 12.049 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.266 2.864 11.251 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.254 4.607 11.073 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.491 3.861 13.138 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.148 4.923 13.511 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.802 1.893 13.494 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.387 2.729 14.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.256 3.128 15.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.220 4.215 14.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.729 2.605 13.865 1.00 0.00 H new ATOM 535 N SER A 35 3.472 2.817 8.993 1.00 0.00 N ATOM 536 CA SER A 35 3.948 1.747 8.124 1.00 0.00 C ATOM 537 C SER A 35 4.089 0.443 8.902 1.00 0.00 C ATOM 538 O SER A 35 4.465 0.445 10.074 1.00 0.00 O ATOM 539 CB SER A 35 5.299 2.131 7.522 1.00 0.00 C ATOM 540 OG SER A 35 6.304 2.024 8.521 1.00 0.00 O ATOM 0 H SER A 35 4.187 3.489 9.271 1.00 0.00 H new ATOM 0 HA SER A 35 3.220 1.601 7.326 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.534 1.478 6.681 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.262 3.149 7.135 1.00 0.00 H new ATOM 0 HG SER A 35 7.173 2.268 8.139 1.00 0.00 H new ATOM 546 N MET A 36 3.784 -0.675 8.239 1.00 0.00 N ATOM 547 CA MET A 36 3.874 -1.994 8.862 1.00 0.00 C ATOM 548 C MET A 36 4.678 -2.938 7.965 1.00 0.00 C ATOM 549 O MET A 36 4.263 -3.251 6.850 1.00 0.00 O ATOM 550 CB MET A 36 2.455 -2.551 9.084 1.00 0.00 C ATOM 551 CG MET A 36 2.424 -3.458 10.319 1.00 0.00 C ATOM 552 SD MET A 36 1.037 -4.614 10.184 1.00 0.00 S ATOM 553 CE MET A 36 1.767 -5.959 11.153 1.00 0.00 C ATOM 0 H MET A 36 3.472 -0.691 7.268 1.00 0.00 H new ATOM 0 HA MET A 36 4.380 -1.910 9.824 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.751 -1.729 9.211 1.00 0.00 H new ATOM 0 HB3 MET A 36 2.136 -3.111 8.205 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.362 -4.007 10.404 1.00 0.00 H new ATOM 0 HG3 MET A 36 2.324 -2.857 11.223 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.068 -6.794 11.201 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.693 -6.287 10.680 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.980 -5.606 12.162 1.00 0.00 H new ATOM 563 N ASN A 37 5.830 -3.379 8.455 1.00 0.00 N ATOM 564 CA ASN A 37 6.683 -4.274 7.682 1.00 0.00 C ATOM 565 C ASN A 37 6.041 -5.649 7.523 1.00 0.00 C ATOM 566 O ASN A 37 6.129 -6.493 8.415 1.00 0.00 O ATOM 567 CB ASN A 37 8.043 -4.422 8.368 1.00 0.00 C ATOM 568 CG ASN A 37 8.914 -5.403 7.590 1.00 0.00 C ATOM 569 OD1 ASN A 37 10.003 -5.758 8.039 1.00 0.00 O ATOM 570 ND2 ASN A 37 8.497 -5.864 6.443 1.00 0.00 N ATOM 0 H ASN A 37 6.193 -3.134 9.376 1.00 0.00 H new ATOM 0 HA ASN A 37 6.816 -3.839 6.691 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.537 -3.452 8.428 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.908 -4.774 9.391 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.074 -6.520 5.917 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.594 -5.568 6.073 1.00 0.00 H new ATOM 577 N MET A 38 5.407 -5.872 6.369 1.00 0.00 N ATOM 578 CA MET A 38 4.761 -7.155 6.082 1.00 0.00 C ATOM 579 C MET A 38 5.588 -7.939 5.044 1.00 0.00 C ATOM 580 O MET A 38 5.717 -7.492 3.905 1.00 0.00 O ATOM 581 CB MET A 38 3.350 -6.918 5.528 1.00 0.00 C ATOM 582 CG MET A 38 2.751 -8.258 5.102 1.00 0.00 C ATOM 583 SD MET A 38 0.965 -8.114 4.848 1.00 0.00 S ATOM 584 CE MET A 38 0.422 -8.497 6.528 1.00 0.00 C ATOM 0 H MET A 38 5.327 -5.183 5.621 1.00 0.00 H new ATOM 0 HA MET A 38 4.697 -7.730 7.006 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.722 -6.449 6.285 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.389 -6.236 4.679 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.227 -8.598 4.182 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.955 -9.011 5.864 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.666 -8.459 6.576 1.00 0.00 H new ATOM 0 HE2 MET A 38 0.762 -9.496 6.802 1.00 0.00 H new ATOM 0 HE3 MET A 38 0.842 -7.768 7.221 1.00 0.00 H new ATOM 594 N PRO A 39 6.150 -9.083 5.391 1.00 0.00 N ATOM 595 CA PRO A 39 6.963 -9.888 4.429 1.00 0.00 C ATOM 596 C PRO A 39 6.310 -9.987 3.050 1.00 0.00 C ATOM 597 O PRO A 39 5.086 -9.936 2.928 1.00 0.00 O ATOM 598 CB PRO A 39 7.047 -11.264 5.099 1.00 0.00 C ATOM 599 CG PRO A 39 6.974 -10.978 6.564 1.00 0.00 C ATOM 600 CD PRO A 39 6.083 -9.739 6.715 1.00 0.00 C ATOM 0 HA PRO A 39 7.937 -9.437 4.239 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.229 -11.910 4.780 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.975 -11.774 4.841 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.556 -11.826 7.106 1.00 0.00 H new ATOM 0 HG3 PRO A 39 7.967 -10.796 6.975 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.060 -10.013 6.973 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.446 -9.081 7.505 1.00 0.00 H new ATOM 608 N GLU A 40 7.136 -10.139 2.020 1.00 0.00 N ATOM 609 CA GLU A 40 6.636 -10.253 0.660 1.00 0.00 C ATOM 610 C GLU A 40 6.075 -11.651 0.417 1.00 0.00 C ATOM 611 O GLU A 40 6.763 -12.520 -0.119 1.00 0.00 O ATOM 612 CB GLU A 40 7.767 -9.978 -0.331 1.00 0.00 C ATOM 613 CG GLU A 40 7.186 -9.818 -1.734 1.00 0.00 C ATOM 614 CD GLU A 40 8.310 -9.754 -2.762 1.00 0.00 C ATOM 615 OE1 GLU A 40 9.307 -10.428 -2.564 1.00 0.00 O ATOM 616 OE2 GLU A 40 8.158 -9.030 -3.733 1.00 0.00 O ATOM 0 H GLU A 40 8.152 -10.186 2.103 1.00 0.00 H new ATOM 0 HA GLU A 40 5.840 -9.522 0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.305 -9.075 -0.043 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.486 -10.797 -0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.524 -10.654 -1.959 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.584 -8.911 -1.785 1.00 0.00 H new ATOM 623 N GLY A 41 4.823 -11.863 0.813 1.00 0.00 N ATOM 624 CA GLY A 41 4.183 -13.164 0.632 1.00 0.00 C ATOM 625 C GLY A 41 3.042 -13.367 1.626 1.00 0.00 C ATOM 626 O GLY A 41 2.248 -14.297 1.486 1.00 0.00 O ATOM 0 H GLY A 41 4.235 -11.158 1.258 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.800 -13.244 -0.385 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.922 -13.955 0.758 1.00 0.00 H new ATOM 630 N LYS A 42 2.963 -12.494 2.626 1.00 0.00 N ATOM 631 CA LYS A 42 1.908 -12.597 3.628 1.00 0.00 C ATOM 632 C LYS A 42 0.569 -12.219 3.002 1.00 0.00 C ATOM 633 O LYS A 42 0.220 -11.044 2.894 1.00 0.00 O ATOM 634 CB LYS A 42 2.234 -11.682 4.828 1.00 0.00 C ATOM 635 CG LYS A 42 3.011 -12.464 5.911 1.00 0.00 C ATOM 636 CD LYS A 42 2.029 -13.117 6.894 1.00 0.00 C ATOM 637 CE LYS A 42 2.733 -14.241 7.660 1.00 0.00 C ATOM 638 NZ LYS A 42 3.220 -15.268 6.697 1.00 0.00 N ATOM 0 H LYS A 42 3.609 -11.716 2.763 1.00 0.00 H new ATOM 0 HA LYS A 42 1.844 -13.624 3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.825 -10.830 4.493 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.311 -11.284 5.250 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.633 -13.228 5.444 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.681 -11.791 6.446 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.649 -12.371 7.592 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.170 -13.515 6.354 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.569 -13.838 8.232 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.046 -14.694 8.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.004 -16.217 7.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.748 -15.135 5.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.248 -15.170 6.575 1.00 0.00 H new ATOM 652 N VAL A 43 -0.162 -13.241 2.585 1.00 0.00 N ATOM 653 CA VAL A 43 -1.462 -13.053 1.951 1.00 0.00 C ATOM 654 C VAL A 43 -2.381 -12.187 2.807 1.00 0.00 C ATOM 655 O VAL A 43 -2.564 -12.448 3.996 1.00 0.00 O ATOM 656 CB VAL A 43 -2.124 -14.416 1.724 1.00 0.00 C ATOM 657 CG1 VAL A 43 -3.279 -14.271 0.727 1.00 0.00 C ATOM 658 CG2 VAL A 43 -1.090 -15.404 1.174 1.00 0.00 C ATOM 0 H VAL A 43 0.124 -14.216 2.674 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.301 -12.547 0.999 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.513 -14.789 2.671 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.747 -15.243 0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.017 -13.573 1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.896 -13.894 -0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.562 -16.373 1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.697 -15.030 0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.274 -15.512 1.889 1.00 0.00 H new ATOM 668 N MET A 44 -2.981 -11.172 2.184 1.00 0.00 N ATOM 669 CA MET A 44 -3.914 -10.285 2.882 1.00 0.00 C ATOM 670 C MET A 44 -5.309 -10.500 2.303 1.00 0.00 C ATOM 671 O MET A 44 -5.472 -10.574 1.085 1.00 0.00 O ATOM 672 CB MET A 44 -3.505 -8.814 2.707 1.00 0.00 C ATOM 673 CG MET A 44 -2.007 -8.626 2.948 1.00 0.00 C ATOM 674 SD MET A 44 -1.506 -6.976 2.371 1.00 0.00 S ATOM 675 CE MET A 44 -1.738 -7.241 0.597 1.00 0.00 C ATOM 0 H MET A 44 -2.839 -10.944 1.200 1.00 0.00 H new ATOM 0 HA MET A 44 -3.902 -10.516 3.947 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.759 -8.480 1.701 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.069 -8.192 3.402 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.781 -8.737 4.009 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.443 -9.395 2.420 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.097 -6.557 0.040 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.477 -8.269 0.345 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.780 -7.057 0.335 1.00 0.00 H new ATOM 685 N GLU A 45 -6.312 -10.623 3.170 1.00 0.00 N ATOM 686 CA GLU A 45 -7.688 -10.850 2.718 1.00 0.00 C ATOM 687 C GLU A 45 -8.575 -9.659 3.055 1.00 0.00 C ATOM 688 O GLU A 45 -8.696 -9.274 4.216 1.00 0.00 O ATOM 689 CB GLU A 45 -8.246 -12.101 3.395 1.00 0.00 C ATOM 690 CG GLU A 45 -9.538 -12.529 2.697 1.00 0.00 C ATOM 691 CD GLU A 45 -9.214 -13.228 1.380 1.00 0.00 C ATOM 692 OE1 GLU A 45 -8.619 -14.291 1.426 1.00 0.00 O ATOM 693 OE2 GLU A 45 -9.566 -12.687 0.344 1.00 0.00 O ATOM 0 H GLU A 45 -6.202 -10.570 4.183 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.678 -10.982 1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.514 -12.907 3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.439 -11.901 4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.105 -13.199 3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.166 -11.658 2.511 1.00 0.00 H new ATOM 700 N THR A 46 -9.198 -9.084 2.031 1.00 0.00 N ATOM 701 CA THR A 46 -10.078 -7.941 2.238 1.00 0.00 C ATOM 702 C THR A 46 -11.450 -8.397 2.726 1.00 0.00 C ATOM 703 O THR A 46 -11.814 -9.563 2.583 1.00 0.00 O ATOM 704 CB THR A 46 -10.234 -7.158 0.937 1.00 0.00 C ATOM 705 OG1 THR A 46 -11.087 -7.873 0.054 1.00 0.00 O ATOM 706 CG2 THR A 46 -8.861 -6.975 0.293 1.00 0.00 C ATOM 0 H THR A 46 -9.111 -9.387 1.061 1.00 0.00 H new ATOM 0 HA THR A 46 -9.631 -7.299 2.997 1.00 0.00 H new ATOM 0 HB THR A 46 -10.671 -6.181 1.145 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.445 -7.261 -0.622 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.967 -6.416 -0.637 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.210 -6.427 0.974 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.425 -7.951 0.082 1.00 0.00 H new ATOM 714 N ARG A 47 -12.204 -7.466 3.303 1.00 0.00 N ATOM 715 CA ARG A 47 -13.537 -7.781 3.810 1.00 0.00 C ATOM 716 C ARG A 47 -14.391 -8.412 2.716 1.00 0.00 C ATOM 717 O ARG A 47 -15.170 -9.329 2.976 1.00 0.00 O ATOM 718 CB ARG A 47 -14.215 -6.508 4.318 1.00 0.00 C ATOM 719 CG ARG A 47 -14.228 -5.459 3.204 1.00 0.00 C ATOM 720 CD ARG A 47 -14.722 -4.124 3.767 1.00 0.00 C ATOM 721 NE ARG A 47 -14.739 -3.112 2.716 1.00 0.00 N ATOM 722 CZ ARG A 47 -15.217 -1.893 2.944 1.00 0.00 C ATOM 723 NH1 ARG A 47 -15.679 -1.584 4.125 1.00 0.00 N ATOM 724 NH2 ARG A 47 -15.222 -1.005 1.989 1.00 0.00 N ATOM 0 H ARG A 47 -11.919 -6.495 3.431 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.435 -8.491 4.630 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -15.234 -6.728 4.637 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.684 -6.123 5.189 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.227 -5.343 2.788 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -14.876 -5.785 2.390 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.722 -4.244 4.183 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.074 -3.802 4.582 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.378 -3.344 1.791 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -15.673 -2.278 4.873 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -16.046 -0.649 4.300 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.859 -1.246 1.067 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -15.589 -0.070 2.164 1.00 0.00 H new ATOM 738 N ASP A 48 -14.238 -7.916 1.493 1.00 0.00 N ATOM 739 CA ASP A 48 -15.001 -8.440 0.366 1.00 0.00 C ATOM 740 C ASP A 48 -14.511 -9.834 -0.011 1.00 0.00 C ATOM 741 O ASP A 48 -15.033 -10.459 -0.934 1.00 0.00 O ATOM 742 CB ASP A 48 -14.865 -7.506 -0.837 1.00 0.00 C ATOM 743 CG ASP A 48 -15.721 -8.016 -1.992 1.00 0.00 C ATOM 744 OD1 ASP A 48 -16.897 -7.688 -2.022 1.00 0.00 O ATOM 745 OD2 ASP A 48 -15.188 -8.723 -2.830 1.00 0.00 O ATOM 0 H ASP A 48 -13.598 -7.158 1.258 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.049 -8.503 0.659 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -15.174 -6.498 -0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.821 -7.446 -1.146 1.00 0.00 H new ATOM 750 N GLY A 49 -13.503 -10.314 0.710 1.00 0.00 N ATOM 751 CA GLY A 49 -12.950 -11.637 0.444 1.00 0.00 C ATOM 752 C GLY A 49 -12.074 -11.616 -0.804 1.00 0.00 C ATOM 753 O GLY A 49 -12.084 -12.558 -1.598 1.00 0.00 O ATOM 0 H GLY A 49 -13.056 -9.812 1.477 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.363 -11.970 1.300 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.760 -12.355 0.314 1.00 0.00 H new ATOM 757 N THR A 50 -11.310 -10.536 -0.970 1.00 0.00 N ATOM 758 CA THR A 50 -10.422 -10.395 -2.126 1.00 0.00 C ATOM 759 C THR A 50 -8.996 -10.771 -1.744 1.00 0.00 C ATOM 760 O THR A 50 -8.387 -10.139 -0.881 1.00 0.00 O ATOM 761 CB THR A 50 -10.449 -8.950 -2.631 1.00 0.00 C ATOM 762 OG1 THR A 50 -11.796 -8.518 -2.755 1.00 0.00 O ATOM 763 CG2 THR A 50 -9.758 -8.874 -3.992 1.00 0.00 C ATOM 0 H THR A 50 -11.287 -9.749 -0.322 1.00 0.00 H new ATOM 0 HA THR A 50 -10.769 -11.062 -2.915 1.00 0.00 H new ATOM 0 HB THR A 50 -9.926 -8.306 -1.924 1.00 0.00 H new ATOM 0 HG1 THR A 50 -11.814 -7.592 -3.077 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.777 -7.846 -4.353 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.724 -9.206 -3.894 1.00 0.00 H new ATOM 0 HG23 THR A 50 -10.280 -9.517 -4.701 1.00 0.00 H new ATOM 771 N LYS A 51 -8.469 -11.806 -2.387 1.00 0.00 N ATOM 772 CA LYS A 51 -7.114 -12.256 -2.101 1.00 0.00 C ATOM 773 C LYS A 51 -6.088 -11.330 -2.749 1.00 0.00 C ATOM 774 O LYS A 51 -6.055 -11.181 -3.971 1.00 0.00 O ATOM 775 CB LYS A 51 -6.913 -13.681 -2.617 1.00 0.00 C ATOM 776 CG LYS A 51 -5.517 -14.176 -2.217 1.00 0.00 C ATOM 777 CD LYS A 51 -5.349 -15.656 -2.599 1.00 0.00 C ATOM 778 CE LYS A 51 -4.960 -15.777 -4.076 1.00 0.00 C ATOM 779 NZ LYS A 51 -3.691 -15.034 -4.319 1.00 0.00 N ATOM 0 H LYS A 51 -8.955 -12.345 -3.104 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.971 -12.237 -1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.677 -14.340 -2.204 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.023 -13.706 -3.701 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.754 -13.576 -2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.372 -14.051 -1.144 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.584 -16.116 -1.974 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.278 -16.195 -2.414 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.837 -16.826 -4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.754 -15.377 -4.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.355 -15.227 -5.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.859 -14.014 -4.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.972 -15.343 -3.634 1.00 0.00 H new ATOM 793 N ILE A 52 -5.248 -10.719 -1.917 1.00 0.00 N ATOM 794 CA ILE A 52 -4.206 -9.812 -2.400 1.00 0.00 C ATOM 795 C ILE A 52 -2.903 -10.082 -1.646 1.00 0.00 C ATOM 796 O ILE A 52 -2.877 -10.097 -0.416 1.00 0.00 O ATOM 797 CB ILE A 52 -4.640 -8.346 -2.199 1.00 0.00 C ATOM 798 CG1 ILE A 52 -5.407 -8.210 -0.890 1.00 0.00 C ATOM 799 CG2 ILE A 52 -5.560 -7.908 -3.333 1.00 0.00 C ATOM 800 CD1 ILE A 52 -5.607 -6.730 -0.551 1.00 0.00 C ATOM 0 H ILE A 52 -5.267 -10.835 -0.904 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.048 -9.984 -3.465 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.745 -7.724 -2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.374 -8.707 -0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.862 -8.705 -0.086 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.859 -6.871 -3.179 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.034 -7.996 -4.283 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.446 -8.543 -3.349 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.156 -6.642 0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.636 -6.246 -0.449 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.171 -6.247 -1.349 1.00 0.00 H new ATOM 812 N ILE A 53 -1.827 -10.310 -2.398 1.00 0.00 N ATOM 813 CA ILE A 53 -0.520 -10.596 -1.802 1.00 0.00 C ATOM 814 C ILE A 53 0.265 -9.312 -1.569 1.00 0.00 C ATOM 815 O ILE A 53 0.187 -8.372 -2.358 1.00 0.00 O ATOM 816 CB ILE A 53 0.281 -11.519 -2.731 1.00 0.00 C ATOM 817 CG1 ILE A 53 -0.657 -12.561 -3.345 1.00 0.00 C ATOM 818 CG2 ILE A 53 1.390 -12.223 -1.943 1.00 0.00 C ATOM 819 CD1 ILE A 53 -1.452 -13.270 -2.247 1.00 0.00 C ATOM 0 H ILE A 53 -1.833 -10.303 -3.418 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.682 -11.085 -0.841 1.00 0.00 H new ATOM 0 HB ILE A 53 0.734 -10.924 -3.524 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.340 -12.079 -4.044 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.080 -13.290 -3.914 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.953 -12.876 -2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.060 -11.478 -1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.947 -12.817 -1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.115 -14.009 -2.697 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.764 -13.769 -1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.044 -12.539 -1.696 1.00 0.00 H new ATOM 831 N MET A 54 1.034 -9.293 -0.490 1.00 0.00 N ATOM 832 CA MET A 54 1.848 -8.128 -0.168 1.00 0.00 C ATOM 833 C MET A 54 2.980 -7.994 -1.185 1.00 0.00 C ATOM 834 O MET A 54 4.117 -8.381 -0.922 1.00 0.00 O ATOM 835 CB MET A 54 2.417 -8.262 1.251 1.00 0.00 C ATOM 836 CG MET A 54 3.130 -6.967 1.655 1.00 0.00 C ATOM 837 SD MET A 54 1.916 -5.664 2.001 1.00 0.00 S ATOM 838 CE MET A 54 2.787 -4.289 1.198 1.00 0.00 C ATOM 0 H MET A 54 1.112 -10.064 0.173 1.00 0.00 H new ATOM 0 HA MET A 54 1.228 -7.232 -0.210 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.613 -8.479 1.955 1.00 0.00 H new ATOM 0 HB3 MET A 54 3.114 -9.099 1.295 1.00 0.00 H new ATOM 0 HG2 MET A 54 3.747 -7.143 2.536 1.00 0.00 H new ATOM 0 HG3 MET A 54 3.799 -6.648 0.856 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.084 -3.481 0.997 1.00 0.00 H new ATOM 0 HE2 MET A 54 3.578 -3.926 1.854 1.00 0.00 H new ATOM 0 HE3 MET A 54 3.223 -4.633 0.260 1.00 0.00 H new ATOM 848 N LYS A 55 2.647 -7.445 -2.349 1.00 0.00 N ATOM 849 CA LYS A 55 3.628 -7.261 -3.416 1.00 0.00 C ATOM 850 C LYS A 55 4.657 -6.208 -3.028 1.00 0.00 C ATOM 851 O LYS A 55 5.863 -6.453 -3.059 1.00 0.00 O ATOM 852 CB LYS A 55 2.926 -6.805 -4.700 1.00 0.00 C ATOM 853 CG LYS A 55 2.182 -7.981 -5.330 1.00 0.00 C ATOM 854 CD LYS A 55 1.496 -7.521 -6.619 1.00 0.00 C ATOM 855 CE LYS A 55 0.480 -8.574 -7.061 1.00 0.00 C ATOM 856 NZ LYS A 55 -0.245 -8.089 -8.269 1.00 0.00 N ATOM 0 H LYS A 55 1.708 -7.120 -2.578 1.00 0.00 H new ATOM 0 HA LYS A 55 4.129 -8.215 -3.579 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.227 -5.999 -4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.657 -6.407 -5.403 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.878 -8.792 -5.545 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.442 -8.373 -4.632 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.998 -6.565 -6.457 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.238 -7.365 -7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.987 -9.514 -7.281 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.227 -8.774 -6.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.936 -8.805 -8.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.740 -7.203 -8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.435 -7.920 -9.037 1.00 0.00 H new ATOM 870 N GLY A 56 4.160 -5.026 -2.695 1.00 0.00 N ATOM 871 CA GLY A 56 5.025 -3.917 -2.335 1.00 0.00 C ATOM 872 C GLY A 56 5.523 -4.022 -0.900 1.00 0.00 C ATOM 873 O GLY A 56 5.070 -3.283 -0.026 1.00 0.00 O ATOM 0 H GLY A 56 3.163 -4.812 -2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.878 -3.888 -3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.484 -2.979 -2.463 1.00 0.00 H new ATOM 877 N ASN A 57 6.467 -4.925 -0.658 1.00 0.00 N ATOM 878 CA ASN A 57 7.015 -5.075 0.684 1.00 0.00 C ATOM 879 C ASN A 57 7.947 -3.908 0.989 1.00 0.00 C ATOM 880 O ASN A 57 8.442 -3.766 2.107 1.00 0.00 O ATOM 881 CB ASN A 57 7.773 -6.398 0.809 1.00 0.00 C ATOM 882 CG ASN A 57 8.446 -6.481 2.175 1.00 0.00 C ATOM 883 OD1 ASN A 57 9.484 -7.127 2.319 1.00 0.00 O ATOM 884 ND2 ASN A 57 7.913 -5.863 3.194 1.00 0.00 N ATOM 0 H ASN A 57 6.862 -5.553 -1.358 1.00 0.00 H new ATOM 0 HA ASN A 57 6.194 -5.079 1.401 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.086 -7.235 0.680 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.521 -6.475 0.020 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.357 -5.915 4.111 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.053 -5.328 3.073 1.00 0.00 H new ATOM 891 N GLU A 58 8.171 -3.069 -0.020 1.00 0.00 N ATOM 892 CA GLU A 58 9.034 -1.900 0.132 1.00 0.00 C ATOM 893 C GLU A 58 8.224 -0.724 0.663 1.00 0.00 C ATOM 894 O GLU A 58 8.238 0.366 0.090 1.00 0.00 O ATOM 895 CB GLU A 58 9.656 -1.530 -1.215 1.00 0.00 C ATOM 896 CG GLU A 58 8.562 -1.460 -2.282 1.00 0.00 C ATOM 897 CD GLU A 58 9.119 -0.840 -3.560 1.00 0.00 C ATOM 898 OE1 GLU A 58 10.164 -1.286 -4.005 1.00 0.00 O ATOM 899 OE2 GLU A 58 8.492 0.070 -4.074 1.00 0.00 O ATOM 0 H GLU A 58 7.767 -3.177 -0.951 1.00 0.00 H new ATOM 0 HA GLU A 58 9.829 -2.137 0.839 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.167 -0.570 -1.140 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.406 -2.269 -1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.180 -2.460 -2.489 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.723 -0.868 -1.916 1.00 0.00 H new ATOM 906 N ILE A 59 7.515 -0.961 1.759 1.00 0.00 N ATOM 907 CA ILE A 59 6.686 0.070 2.372 1.00 0.00 C ATOM 908 C ILE A 59 7.445 1.389 2.471 1.00 0.00 C ATOM 909 O ILE A 59 6.840 2.458 2.540 1.00 0.00 O ATOM 910 CB ILE A 59 6.266 -0.390 3.768 1.00 0.00 C ATOM 911 CG1 ILE A 59 7.493 -0.949 4.497 1.00 0.00 C ATOM 912 CG2 ILE A 59 5.200 -1.484 3.647 1.00 0.00 C ATOM 913 CD1 ILE A 59 7.154 -1.187 5.970 1.00 0.00 C ATOM 0 H ILE A 59 7.497 -1.859 2.243 1.00 0.00 H new ATOM 0 HA ILE A 59 5.805 0.229 1.751 1.00 0.00 H new ATOM 0 HB ILE A 59 5.856 0.451 4.327 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.811 -1.882 4.032 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.326 -0.251 4.414 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.901 -1.812 4.642 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.332 -1.089 3.119 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.608 -2.330 3.094 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.029 -1.584 6.485 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.858 -0.245 6.432 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.334 -1.901 6.044 1.00 0.00 H new ATOM 925 N PHE A 60 8.769 1.308 2.476 1.00 0.00 N ATOM 926 CA PHE A 60 9.595 2.506 2.565 1.00 0.00 C ATOM 927 C PHE A 60 9.136 3.551 1.553 1.00 0.00 C ATOM 928 O PHE A 60 9.306 4.752 1.764 1.00 0.00 O ATOM 929 CB PHE A 60 11.060 2.151 2.305 1.00 0.00 C ATOM 930 CG PHE A 60 11.553 1.219 3.385 1.00 0.00 C ATOM 931 CD1 PHE A 60 11.386 -0.164 3.245 1.00 0.00 C ATOM 932 CD2 PHE A 60 12.178 1.737 4.525 1.00 0.00 C ATOM 933 CE1 PHE A 60 11.842 -1.030 4.247 1.00 0.00 C ATOM 934 CE2 PHE A 60 12.635 0.871 5.527 1.00 0.00 C ATOM 935 CZ PHE A 60 12.467 -0.513 5.387 1.00 0.00 C ATOM 0 H PHE A 60 9.291 0.434 2.420 1.00 0.00 H new ATOM 0 HA PHE A 60 9.494 2.920 3.568 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.163 1.679 1.328 1.00 0.00 H new ATOM 0 HB3 PHE A 60 11.667 3.056 2.287 1.00 0.00 H new ATOM 0 HD1 PHE A 60 10.905 -0.563 2.364 1.00 0.00 H new ATOM 0 HD2 PHE A 60 12.308 2.804 4.632 1.00 0.00 H new ATOM 0 HE1 PHE A 60 11.711 -2.097 4.140 1.00 0.00 H new ATOM 0 HE2 PHE A 60 13.117 1.270 6.407 1.00 0.00 H new ATOM 0 HZ PHE A 60 12.820 -1.181 6.159 1.00 0.00 H new ATOM 945 N ARG A 61 8.564 3.086 0.448 1.00 0.00 N ATOM 946 CA ARG A 61 8.097 3.989 -0.599 1.00 0.00 C ATOM 947 C ARG A 61 7.165 5.061 -0.034 1.00 0.00 C ATOM 948 O ARG A 61 7.352 6.250 -0.293 1.00 0.00 O ATOM 949 CB ARG A 61 7.367 3.192 -1.682 1.00 0.00 C ATOM 950 CG ARG A 61 7.116 4.082 -2.909 1.00 0.00 C ATOM 951 CD ARG A 61 8.441 4.422 -3.620 1.00 0.00 C ATOM 952 NE ARG A 61 8.980 5.677 -3.110 1.00 0.00 N ATOM 953 CZ ARG A 61 10.170 6.122 -3.496 1.00 0.00 C ATOM 954 NH1 ARG A 61 10.880 5.432 -4.347 1.00 0.00 N ATOM 955 NH2 ARG A 61 10.631 7.249 -3.024 1.00 0.00 N ATOM 0 H ARG A 61 8.413 2.096 0.254 1.00 0.00 H new ATOM 0 HA ARG A 61 8.966 4.486 -1.029 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.960 2.323 -1.968 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.420 2.818 -1.294 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.447 3.573 -3.602 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.617 5.001 -2.601 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.162 3.619 -3.465 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.276 4.499 -4.695 1.00 0.00 H new ATOM 0 HE ARG A 61 8.433 6.223 -2.445 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.521 4.551 -4.715 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.794 5.774 -4.644 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.077 7.788 -2.358 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.545 7.590 -3.321 1.00 0.00 H new ATOM 969 N LEU A 62 6.159 4.642 0.732 1.00 0.00 N ATOM 970 CA LEU A 62 5.215 5.596 1.310 1.00 0.00 C ATOM 971 C LEU A 62 5.951 6.669 2.107 1.00 0.00 C ATOM 972 O LEU A 62 5.467 7.793 2.244 1.00 0.00 O ATOM 973 CB LEU A 62 4.200 4.862 2.206 1.00 0.00 C ATOM 974 CG LEU A 62 4.849 4.441 3.556 1.00 0.00 C ATOM 975 CD1 LEU A 62 4.474 5.435 4.666 1.00 0.00 C ATOM 976 CD2 LEU A 62 4.351 3.048 3.966 1.00 0.00 C ATOM 0 H LEU A 62 5.978 3.665 0.964 1.00 0.00 H new ATOM 0 HA LEU A 62 4.677 6.085 0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.343 5.509 2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.824 3.979 1.688 1.00 0.00 H new ATOM 0 HG LEU A 62 5.931 4.430 3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.936 5.125 5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.828 6.430 4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.391 5.456 4.785 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.810 2.761 4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.267 3.068 4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.621 2.324 3.197 1.00 0.00 H new ATOM 988 N ASP A 63 7.121 6.319 2.632 1.00 0.00 N ATOM 989 CA ASP A 63 7.909 7.267 3.414 1.00 0.00 C ATOM 990 C ASP A 63 8.573 8.290 2.499 1.00 0.00 C ATOM 991 O ASP A 63 8.177 9.455 2.461 1.00 0.00 O ATOM 992 CB ASP A 63 8.979 6.525 4.217 1.00 0.00 C ATOM 993 CG ASP A 63 9.556 7.444 5.288 1.00 0.00 C ATOM 994 OD1 ASP A 63 8.810 7.833 6.172 1.00 0.00 O ATOM 995 OD2 ASP A 63 10.737 7.744 5.211 1.00 0.00 O ATOM 0 H ASP A 63 7.542 5.395 2.532 1.00 0.00 H new ATOM 0 HA ASP A 63 7.241 7.787 4.100 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.548 5.638 4.681 1.00 0.00 H new ATOM 0 HB3 ASP A 63 9.773 6.183 3.553 1.00 0.00 H new ATOM 1000 N GLU A 64 9.585 7.847 1.758 1.00 0.00 N ATOM 1001 CA GLU A 64 10.296 8.734 0.845 1.00 0.00 C ATOM 1002 C GLU A 64 9.407 9.102 -0.339 1.00 0.00 C ATOM 1003 O GLU A 64 8.561 8.315 -0.760 1.00 0.00 O ATOM 1004 CB GLU A 64 11.568 8.051 0.337 1.00 0.00 C ATOM 1005 CG GLU A 64 12.453 7.671 1.527 1.00 0.00 C ATOM 1006 CD GLU A 64 13.674 6.897 1.043 1.00 0.00 C ATOM 1007 OE1 GLU A 64 14.074 7.109 -0.091 1.00 0.00 O ATOM 1008 OE2 GLU A 64 14.192 6.103 1.812 1.00 0.00 O ATOM 0 H GLU A 64 9.928 6.887 1.772 1.00 0.00 H new ATOM 0 HA GLU A 64 10.563 9.643 1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.311 7.161 -0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.109 8.718 -0.334 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.769 8.569 2.057 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.886 7.066 2.234 1.00 0.00 H new ATOM 1015 N ALA A 65 9.606 10.305 -0.869 1.00 0.00 N ATOM 1016 CA ALA A 65 8.813 10.767 -2.003 1.00 0.00 C ATOM 1017 C ALA A 65 7.324 10.681 -1.684 1.00 0.00 C ATOM 1018 O ALA A 65 6.646 9.734 -2.087 1.00 0.00 O ATOM 1019 CB ALA A 65 9.123 9.917 -3.237 1.00 0.00 C ATOM 0 H ALA A 65 10.302 10.972 -0.536 1.00 0.00 H new ATOM 0 HA ALA A 65 9.071 11.807 -2.205 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.527 10.268 -4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.182 10.002 -3.481 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.881 8.874 -3.031 1.00 0.00 H new ATOM 1025 N LEU A 66 6.820 11.675 -0.957 1.00 0.00 N ATOM 1026 CA LEU A 66 5.408 11.703 -0.588 1.00 0.00 C ATOM 1027 C LEU A 66 4.573 12.280 -1.730 1.00 0.00 C ATOM 1028 O LEU A 66 4.294 11.595 -2.715 1.00 0.00 O ATOM 1029 CB LEU A 66 5.209 12.549 0.684 1.00 0.00 C ATOM 1030 CG LEU A 66 6.144 13.787 0.658 1.00 0.00 C ATOM 1031 CD1 LEU A 66 5.479 14.960 1.390 1.00 0.00 C ATOM 1032 CD2 LEU A 66 7.480 13.456 1.349 1.00 0.00 C ATOM 0 H LEU A 66 7.364 12.466 -0.614 1.00 0.00 H new ATOM 0 HA LEU A 66 5.080 10.682 -0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.170 12.871 0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.418 11.945 1.567 1.00 0.00 H new ATOM 0 HG LEU A 66 6.330 14.061 -0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.141 15.825 1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.539 15.210 0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.284 14.679 2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.129 14.332 1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.293 13.171 2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.965 12.631 0.827 1.00 0.00 H new ATOM 1044 N ARG A 67 4.179 13.541 -1.591 1.00 0.00 N ATOM 1045 CA ARG A 67 3.376 14.197 -2.618 1.00 0.00 C ATOM 1046 C ARG A 67 2.118 13.387 -2.913 1.00 0.00 C ATOM 1047 O ARG A 67 2.181 12.336 -3.551 1.00 0.00 O ATOM 1048 CB ARG A 67 4.196 14.357 -3.900 1.00 0.00 C ATOM 1049 CG ARG A 67 3.386 15.145 -4.929 1.00 0.00 C ATOM 1050 CD ARG A 67 4.287 15.527 -6.104 1.00 0.00 C ATOM 1051 NE ARG A 67 4.838 14.331 -6.729 1.00 0.00 N ATOM 1052 CZ ARG A 67 4.092 13.558 -7.510 1.00 0.00 C ATOM 1053 NH1 ARG A 67 2.843 13.864 -7.731 1.00 0.00 N ATOM 1054 NH2 ARG A 67 4.608 12.492 -8.057 1.00 0.00 N ATOM 0 H ARG A 67 4.400 14.126 -0.785 1.00 0.00 H new ATOM 0 HA ARG A 67 3.083 15.180 -2.250 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.131 14.874 -3.684 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.459 13.378 -4.301 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.545 14.547 -5.281 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.969 16.042 -4.470 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.718 16.099 -6.837 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.096 16.170 -5.757 1.00 0.00 H new ATOM 0 HE ARG A 67 5.814 14.083 -6.564 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.439 14.697 -7.304 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.271 13.270 -8.331 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.584 12.252 -7.885 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.035 11.898 -8.657 1.00 0.00 H new ATOM 1068 N LYS A 68 0.976 13.884 -2.445 1.00 0.00 N ATOM 1069 CA LYS A 68 -0.298 13.201 -2.661 1.00 0.00 C ATOM 1070 C LYS A 68 -1.446 14.203 -2.665 1.00 0.00 C ATOM 1071 O LYS A 68 -2.322 14.162 -1.800 1.00 0.00 O ATOM 1072 CB LYS A 68 -0.530 12.163 -1.560 1.00 0.00 C ATOM 1073 CG LYS A 68 0.540 11.073 -1.643 1.00 0.00 C ATOM 1074 CD LYS A 68 0.116 9.872 -0.795 1.00 0.00 C ATOM 1075 CE LYS A 68 1.301 8.921 -0.626 1.00 0.00 C ATOM 1076 NZ LYS A 68 0.914 7.803 0.280 1.00 0.00 N ATOM 0 H LYS A 68 0.906 14.753 -1.916 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.261 12.701 -3.629 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.498 12.643 -0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.521 11.722 -1.666 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.682 10.767 -2.679 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.496 11.460 -1.291 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.235 10.208 0.180 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.715 9.353 -1.272 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.607 8.528 -1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.156 9.457 -0.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.719 7.155 0.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.642 8.186 1.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.110 7.286 -0.130 1.00 0.00 H new ATOM 1090 N GLY A 69 -1.438 15.102 -3.643 1.00 0.00 N ATOM 1091 CA GLY A 69 -2.486 16.112 -3.750 1.00 0.00 C ATOM 1092 C GLY A 69 -3.807 15.482 -4.180 1.00 0.00 C ATOM 1093 O GLY A 69 -3.832 14.587 -5.024 1.00 0.00 O ATOM 0 H GLY A 69 -0.723 15.153 -4.369 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.613 16.613 -2.790 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.190 16.874 -4.471 1.00 0.00 H new ATOM 1097 N HIS A 70 -4.901 15.956 -3.594 1.00 0.00 N ATOM 1098 CA HIS A 70 -6.221 15.431 -3.925 1.00 0.00 C ATOM 1099 C HIS A 70 -6.589 15.778 -5.363 1.00 0.00 C ATOM 1100 O HIS A 70 -6.242 16.848 -5.863 1.00 0.00 O ATOM 1101 CB HIS A 70 -7.268 16.014 -2.972 1.00 0.00 C ATOM 1102 CG HIS A 70 -7.230 17.515 -3.043 1.00 0.00 C ATOM 1103 ND1 HIS A 70 -6.586 18.285 -2.087 1.00 0.00 N ATOM 1104 CD2 HIS A 70 -7.752 18.405 -3.951 1.00 0.00 C ATOM 1105 CE1 HIS A 70 -6.735 19.576 -2.437 1.00 0.00 C ATOM 1106 NE2 HIS A 70 -7.439 19.705 -3.564 1.00 0.00 N ATOM 0 H HIS A 70 -4.901 16.697 -2.893 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.198 14.346 -3.820 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.261 15.652 -3.240 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.072 15.682 -1.952 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.319 18.137 -4.830 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.334 20.406 -1.875 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -7.693 20.571 -4.040 1.00 0.00 H new ATOM 1114 N SER A 71 -7.295 14.865 -6.023 1.00 0.00 N ATOM 1115 CA SER A 71 -7.706 15.086 -7.405 1.00 0.00 C ATOM 1116 C SER A 71 -8.709 14.022 -7.842 1.00 0.00 C ATOM 1117 O SER A 71 -8.569 12.847 -7.504 1.00 0.00 O ATOM 1118 CB SER A 71 -6.485 15.044 -8.326 1.00 0.00 C ATOM 1119 OG SER A 71 -6.917 15.089 -9.680 1.00 0.00 O ATOM 0 H SER A 71 -7.592 13.973 -5.628 1.00 0.00 H new ATOM 0 HA SER A 71 -8.179 16.066 -7.471 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.826 15.886 -8.114 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.910 14.136 -8.146 1.00 0.00 H new ATOM 0 HG SER A 71 -6.137 15.064 -10.273 1.00 0.00 H new ATOM 1125 N GLU A 72 -9.721 14.444 -8.595 1.00 0.00 N ATOM 1126 CA GLU A 72 -10.742 13.519 -9.072 1.00 0.00 C ATOM 1127 C GLU A 72 -10.129 12.477 -10.000 1.00 0.00 C ATOM 1128 O GLU A 72 -10.197 12.604 -11.223 1.00 0.00 O ATOM 1129 CB GLU A 72 -11.836 14.287 -9.815 1.00 0.00 C ATOM 1130 CG GLU A 72 -12.966 13.328 -10.194 1.00 0.00 C ATOM 1131 CD GLU A 72 -14.116 14.102 -10.832 1.00 0.00 C ATOM 1132 OE1 GLU A 72 -14.340 15.230 -10.427 1.00 0.00 O ATOM 1133 OE2 GLU A 72 -14.753 13.555 -11.716 1.00 0.00 O ATOM 0 H GLU A 72 -9.855 15.413 -8.886 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.176 13.011 -8.211 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.222 15.090 -9.187 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.424 14.752 -10.710 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.596 12.573 -10.888 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.319 12.801 -9.308 1.00 0.00 H new ATOM 1140 N GLY A 73 -9.530 11.446 -9.412 1.00 0.00 N ATOM 1141 CA GLY A 73 -8.907 10.387 -10.198 1.00 0.00 C ATOM 1142 C GLY A 73 -9.940 9.666 -11.056 1.00 0.00 C ATOM 1143 O GLY A 73 -10.004 9.869 -12.268 1.00 0.00 O ATOM 0 H GLY A 73 -9.463 11.322 -8.402 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.131 10.811 -10.835 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.419 9.674 -9.533 1.00 0.00 H new ATOM 1147 N GLY A 74 -10.748 8.823 -10.419 1.00 0.00 N ATOM 1148 CA GLY A 74 -11.777 8.078 -11.135 1.00 0.00 C ATOM 1149 C GLY A 74 -12.797 9.020 -11.760 1.00 0.00 C ATOM 1150 O GLY A 74 -12.734 10.206 -11.476 1.00 0.00 O ATOM 1151 OXT GLY A 74 -13.631 8.546 -12.515 1.00 0.00 O ATOM 0 H GLY A 74 -10.710 8.640 -9.416 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.316 7.469 -11.912 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.279 7.395 -10.450 1.00 0.00 H new TER 1155 GLY A 74 HETATM 1156 CU CU1 A 101 0.337 -6.307 3.563 1.00 0.00 CU HETATM 1157 CU CU A 102 -6.319 17.248 -0.397 1.00 0.00 CU HETATM 1158 O HOH A 201 -8.208 17.631 0.137 1.00 0.00 O