USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 567 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 59 HIS : no HD1:sc= -0.214 X(o=-1.7,f=-1.9) USER MOD Set 1.2: A 62 ASN : amide:sc= -1.48 K(o=-1.7,f=-3.9!) 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 7:sc= 1.01 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 10 LYS NZ :NH3+ 138:sc= 0.629 (180deg=0.0202) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -176:sc= -0.121 (180deg=-0.138) USER MOD Single : A 20 ASN : amide:sc= -14! C(o=-14!,f=-13!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 10:sc= 1.28 USER MOD Single : A 44 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00459) USER MOD Single : A 45 GLN : amide:sc= -0.187 K(o=-0.19,f=-2.2!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00901) USER MOD Single : A 54 GLN : amide:sc= -0.0293 K(o=-0.029,f=-1.1) USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -1.71 K(o=-1.7,f=-3.5!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc=-0.00276 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.252 4.223 19.142 1.00 0.00 N ATOM 2 CA GLY A 1 -3.600 5.390 18.577 1.00 0.00 C ATOM 3 C GLY A 1 -4.590 6.400 18.031 1.00 0.00 C ATOM 4 O GLY A 1 -5.522 6.040 17.312 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.533 3.563 19.501 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.873 4.516 19.923 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.818 3.752 18.408 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.986 5.865 19.342 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.928 5.076 17.778 1.00 0.00 H new ATOM 8 N SER A 2 -4.389 7.668 18.375 1.00 0.00 N ATOM 9 CA SER A 2 -5.275 8.733 17.919 1.00 0.00 C ATOM 10 C SER A 2 -4.512 10.045 17.763 1.00 0.00 C ATOM 11 O SER A 2 -3.563 10.316 18.499 1.00 0.00 O ATOM 12 CB SER A 2 -6.433 8.918 18.902 1.00 0.00 C ATOM 13 OG SER A 2 -7.353 9.887 18.429 1.00 0.00 O ATOM 0 H SER A 2 -3.621 7.983 18.968 1.00 0.00 H new ATOM 0 HA SER A 2 -5.675 8.447 16.946 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.945 7.967 19.049 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.044 9.224 19.873 1.00 0.00 H new ATOM 0 HG SER A 2 -8.084 9.986 19.074 1.00 0.00 H new ATOM 19 N SER A 3 -4.933 10.856 16.797 1.00 0.00 N ATOM 20 CA SER A 3 -4.287 12.138 16.540 1.00 0.00 C ATOM 21 C SER A 3 -5.215 13.067 15.763 1.00 0.00 C ATOM 22 O SER A 3 -5.562 12.798 14.614 1.00 0.00 O ATOM 23 CB SER A 3 -2.986 11.931 15.761 1.00 0.00 C ATOM 24 OG SER A 3 -3.248 11.611 14.406 1.00 0.00 O ATOM 0 H SER A 3 -5.718 10.648 16.180 1.00 0.00 H new ATOM 0 HA SER A 3 -4.058 12.600 17.500 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.379 12.835 15.814 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.406 11.131 16.221 1.00 0.00 H new ATOM 0 HG SER A 3 -4.207 11.701 14.228 1.00 0.00 H new ATOM 30 N GLY A 4 -5.614 14.163 16.401 1.00 0.00 N ATOM 31 CA GLY A 4 -6.498 15.117 15.757 1.00 0.00 C ATOM 32 C GLY A 4 -5.919 15.665 14.468 1.00 0.00 C ATOM 33 O GLY A 4 -4.770 15.385 14.127 1.00 0.00 O ATOM 0 H GLY A 4 -5.341 14.407 17.353 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.454 14.638 15.547 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.698 15.942 16.441 1.00 0.00 H new ATOM 37 N SER A 5 -6.717 16.447 13.747 1.00 0.00 N ATOM 38 CA SER A 5 -6.279 17.031 12.485 1.00 0.00 C ATOM 39 C SER A 5 -6.546 18.533 12.460 1.00 0.00 C ATOM 40 O SER A 5 -5.710 19.316 12.007 1.00 0.00 O ATOM 41 CB SER A 5 -6.991 16.356 11.312 1.00 0.00 C ATOM 42 OG SER A 5 -8.397 16.383 11.485 1.00 0.00 O ATOM 0 H SER A 5 -7.670 16.690 14.016 1.00 0.00 H new ATOM 0 HA SER A 5 -5.205 16.868 12.391 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.726 16.860 10.383 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.652 15.324 11.222 1.00 0.00 H new ATOM 0 HG SER A 5 -8.829 15.947 10.721 1.00 0.00 H new ATOM 48 N SER A 6 -7.716 18.928 12.951 1.00 0.00 N ATOM 49 CA SER A 6 -8.096 20.335 12.982 1.00 0.00 C ATOM 50 C SER A 6 -7.767 21.016 11.657 1.00 0.00 C ATOM 51 O SER A 6 -7.178 22.096 11.630 1.00 0.00 O ATOM 52 CB SER A 6 -7.382 21.053 14.129 1.00 0.00 C ATOM 53 OG SER A 6 -7.827 20.575 15.386 1.00 0.00 O ATOM 0 H SER A 6 -8.417 18.293 13.333 1.00 0.00 H new ATOM 0 HA SER A 6 -9.173 20.392 13.142 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.306 20.905 14.041 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.563 22.126 14.060 1.00 0.00 H new ATOM 0 HG SER A 6 -7.354 21.049 16.102 1.00 0.00 H new ATOM 59 N GLY A 7 -8.153 20.376 10.558 1.00 0.00 N ATOM 60 CA GLY A 7 -7.891 20.933 9.244 1.00 0.00 C ATOM 61 C GLY A 7 -9.143 21.477 8.584 1.00 0.00 C ATOM 62 O GLY A 7 -10.223 21.454 9.173 1.00 0.00 O ATOM 0 H GLY A 7 -8.643 19.481 10.554 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.154 21.731 9.332 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.453 20.164 8.607 1.00 0.00 H new ATOM 66 N GLY A 8 -8.998 21.969 7.358 1.00 0.00 N ATOM 67 CA GLY A 8 -10.134 22.516 6.639 1.00 0.00 C ATOM 68 C GLY A 8 -9.889 22.603 5.146 1.00 0.00 C ATOM 69 O GLY A 8 -9.301 21.697 4.553 1.00 0.00 O ATOM 0 H GLY A 8 -8.114 21.999 6.849 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.010 21.895 6.824 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.360 23.510 7.025 1.00 0.00 H new ATOM 73 N ILE A 9 -10.340 23.693 4.536 1.00 0.00 N ATOM 74 CA ILE A 9 -10.166 23.894 3.102 1.00 0.00 C ATOM 75 C ILE A 9 -8.697 24.105 2.751 1.00 0.00 C ATOM 76 O ILE A 9 -8.009 24.916 3.372 1.00 0.00 O ATOM 77 CB ILE A 9 -10.981 25.100 2.600 1.00 0.00 C ATOM 78 CG1 ILE A 9 -10.635 26.351 3.411 1.00 0.00 C ATOM 79 CG2 ILE A 9 -12.471 24.804 2.682 1.00 0.00 C ATOM 80 CD1 ILE A 9 -11.309 27.606 2.903 1.00 0.00 C ATOM 0 H ILE A 9 -10.829 24.451 5.012 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.528 22.991 2.610 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.724 25.284 1.557 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.920 26.191 4.451 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.555 26.497 3.396 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.033 25.666 2.324 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.704 23.936 2.065 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.744 24.597 3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.018 28.452 3.525 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.004 27.791 1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.391 27.480 2.944 1.00 0.00 H new ATOM 92 N LYS A 10 -8.222 23.371 1.750 1.00 0.00 N ATOM 93 CA LYS A 10 -6.836 23.479 1.313 1.00 0.00 C ATOM 94 C LYS A 10 -6.625 22.752 -0.012 1.00 0.00 C ATOM 95 O LYS A 10 -7.547 22.135 -0.546 1.00 0.00 O ATOM 96 CB LYS A 10 -5.897 22.904 2.376 1.00 0.00 C ATOM 97 CG LYS A 10 -6.089 21.417 2.618 1.00 0.00 C ATOM 98 CD LYS A 10 -5.258 20.931 3.793 1.00 0.00 C ATOM 99 CE LYS A 10 -6.014 21.068 5.105 1.00 0.00 C ATOM 100 NZ LYS A 10 -7.018 19.983 5.283 1.00 0.00 N ATOM 0 H LYS A 10 -8.778 22.695 1.226 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.609 24.535 1.169 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.866 23.084 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.052 23.439 3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.143 21.211 2.807 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.812 20.863 1.721 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.982 19.888 3.638 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.331 21.502 3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.308 21.049 5.935 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.515 22.035 5.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.993 19.645 6.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.967 20.349 5.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.796 19.196 4.640 1.00 0.00 H new ATOM 114 N ASP A 11 -5.407 22.828 -0.536 1.00 0.00 N ATOM 115 CA ASP A 11 -5.075 22.175 -1.797 1.00 0.00 C ATOM 116 C ASP A 11 -3.647 21.638 -1.772 1.00 0.00 C ATOM 117 O ASP A 11 -2.709 22.357 -1.427 1.00 0.00 O ATOM 118 CB ASP A 11 -5.245 23.151 -2.962 1.00 0.00 C ATOM 119 CG ASP A 11 -4.332 24.356 -2.846 1.00 0.00 C ATOM 120 OD1 ASP A 11 -4.287 24.964 -1.756 1.00 0.00 O ATOM 121 OD2 ASP A 11 -3.662 24.691 -3.845 1.00 0.00 O ATOM 0 H ASP A 11 -4.633 23.335 -0.107 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.757 21.336 -1.933 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.041 22.633 -3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.281 23.487 -3.003 1.00 0.00 H new ATOM 126 N SER A 12 -3.491 20.370 -2.138 1.00 0.00 N ATOM 127 CA SER A 12 -2.178 19.735 -2.153 1.00 0.00 C ATOM 128 C SER A 12 -1.972 18.942 -3.440 1.00 0.00 C ATOM 129 O SER A 12 -2.900 18.344 -3.985 1.00 0.00 O ATOM 130 CB SER A 12 -2.020 18.814 -0.942 1.00 0.00 C ATOM 131 OG SER A 12 -2.258 19.514 0.267 1.00 0.00 O ATOM 0 H SER A 12 -4.257 19.762 -2.428 1.00 0.00 H new ATOM 0 HA SER A 12 -1.422 20.519 -2.106 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.714 17.978 -1.024 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.015 18.393 -0.930 1.00 0.00 H new ATOM 0 HG SER A 12 -2.152 18.902 1.025 1.00 0.00 H new ATOM 137 N PRO A 13 -0.727 18.937 -3.938 1.00 0.00 N ATOM 138 CA PRO A 13 -0.369 18.222 -5.167 1.00 0.00 C ATOM 139 C PRO A 13 -0.409 16.708 -4.988 1.00 0.00 C ATOM 140 O PRO A 13 -0.817 16.207 -3.941 1.00 0.00 O ATOM 141 CB PRO A 13 1.061 18.690 -5.445 1.00 0.00 C ATOM 142 CG PRO A 13 1.597 19.085 -4.113 1.00 0.00 C ATOM 143 CD PRO A 13 0.427 19.629 -3.341 1.00 0.00 C ATOM 0 HA PRO A 13 -1.066 18.431 -5.979 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.658 17.895 -5.892 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.075 19.528 -6.141 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.039 18.230 -3.601 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.381 19.836 -4.215 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.515 19.417 -2.275 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.345 20.711 -3.445 1.00 0.00 H new ATOM 151 N VAL A 14 0.019 15.984 -6.018 1.00 0.00 N ATOM 152 CA VAL A 14 0.033 14.527 -5.974 1.00 0.00 C ATOM 153 C VAL A 14 0.355 14.022 -4.572 1.00 0.00 C ATOM 154 O VAL A 14 1.356 14.417 -3.974 1.00 0.00 O ATOM 155 CB VAL A 14 1.059 13.946 -6.965 1.00 0.00 C ATOM 156 CG1 VAL A 14 1.047 12.425 -6.916 1.00 0.00 C ATOM 157 CG2 VAL A 14 0.779 14.444 -8.375 1.00 0.00 C ATOM 0 H VAL A 14 0.360 16.383 -6.892 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.965 14.192 -6.257 1.00 0.00 H new ATOM 0 HB VAL A 14 2.052 14.287 -6.674 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.778 12.032 -7.623 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.300 12.091 -5.910 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.054 12.060 -7.181 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.513 14.024 -9.062 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.221 14.134 -8.679 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.844 15.532 -8.396 1.00 0.00 H new ATOM 167 N ASN A 15 -0.499 13.147 -4.053 1.00 0.00 N ATOM 168 CA ASN A 15 -0.306 12.587 -2.720 1.00 0.00 C ATOM 169 C ASN A 15 0.184 11.145 -2.801 1.00 0.00 C ATOM 170 O ASN A 15 -0.606 10.218 -2.979 1.00 0.00 O ATOM 171 CB ASN A 15 -1.611 12.651 -1.924 1.00 0.00 C ATOM 172 CG ASN A 15 -2.199 14.048 -1.888 1.00 0.00 C ATOM 173 OD1 ASN A 15 -2.967 14.432 -2.770 1.00 0.00 O ATOM 174 ND2 ASN A 15 -1.840 14.815 -0.865 1.00 0.00 N ATOM 0 H ASN A 15 -1.332 12.810 -4.535 1.00 0.00 H new ATOM 0 HA ASN A 15 0.452 13.181 -2.210 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.336 11.966 -2.364 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.429 12.310 -0.905 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.204 15.765 -0.787 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.201 14.454 -0.157 1.00 0.00 H new ATOM 181 N LYS A 16 1.494 10.962 -2.670 1.00 0.00 N ATOM 182 CA LYS A 16 2.091 9.634 -2.726 1.00 0.00 C ATOM 183 C LYS A 16 2.845 9.321 -1.437 1.00 0.00 C ATOM 184 O LYS A 16 3.955 9.808 -1.222 1.00 0.00 O ATOM 185 CB LYS A 16 3.039 9.528 -3.922 1.00 0.00 C ATOM 186 CG LYS A 16 3.548 8.119 -4.173 1.00 0.00 C ATOM 187 CD LYS A 16 4.359 8.039 -5.455 1.00 0.00 C ATOM 188 CE LYS A 16 5.730 8.678 -5.288 1.00 0.00 C ATOM 189 NZ LYS A 16 6.607 8.424 -6.464 1.00 0.00 N ATOM 0 H LYS A 16 2.163 11.718 -2.524 1.00 0.00 H new ATOM 0 HA LYS A 16 1.287 8.907 -2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.525 9.884 -4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.890 10.189 -3.760 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.163 7.798 -3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.704 7.431 -4.232 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.476 6.996 -5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.819 8.538 -6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.615 9.753 -5.146 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.206 8.287 -4.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.553 8.817 -6.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.683 7.399 -6.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.199 8.878 -7.306 1.00 0.00 H new ATOM 203 N VAL A 17 2.235 8.504 -0.583 1.00 0.00 N ATOM 204 CA VAL A 17 2.850 8.125 0.683 1.00 0.00 C ATOM 205 C VAL A 17 4.356 7.942 0.530 1.00 0.00 C ATOM 206 O VAL A 17 5.140 8.513 1.287 1.00 0.00 O ATOM 207 CB VAL A 17 2.240 6.823 1.235 1.00 0.00 C ATOM 208 CG1 VAL A 17 2.614 5.641 0.353 1.00 0.00 C ATOM 209 CG2 VAL A 17 2.689 6.591 2.670 1.00 0.00 C ATOM 0 H VAL A 17 1.316 8.092 -0.745 1.00 0.00 H new ATOM 0 HA VAL A 17 2.655 8.936 1.385 1.00 0.00 H new ATOM 0 HB VAL A 17 1.154 6.920 1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.174 4.730 0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.238 5.807 -0.656 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.699 5.538 0.324 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.249 5.667 3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.776 6.515 2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.365 7.425 3.292 1.00 0.00 H new ATOM 219 N GLU A 18 4.753 7.143 -0.456 1.00 0.00 N ATOM 220 CA GLU A 18 6.165 6.885 -0.708 1.00 0.00 C ATOM 221 C GLU A 18 6.394 6.478 -2.160 1.00 0.00 C ATOM 222 O GLU A 18 5.467 6.101 -2.879 1.00 0.00 O ATOM 223 CB GLU A 18 6.681 5.789 0.227 1.00 0.00 C ATOM 224 CG GLU A 18 7.323 6.324 1.497 1.00 0.00 C ATOM 225 CD GLU A 18 7.158 5.384 2.675 1.00 0.00 C ATOM 226 OE1 GLU A 18 6.064 4.800 2.820 1.00 0.00 O ATOM 227 OE2 GLU A 18 8.123 5.233 3.452 1.00 0.00 O ATOM 0 H GLU A 18 4.116 6.664 -1.093 1.00 0.00 H new ATOM 0 HA GLU A 18 6.715 7.806 -0.516 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.853 5.134 0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.408 5.179 -0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.385 6.494 1.319 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.882 7.290 1.743 1.00 0.00 H new ATOM 234 N PRO A 19 7.657 6.556 -2.605 1.00 0.00 N ATOM 235 CA PRO A 19 8.037 6.200 -3.975 1.00 0.00 C ATOM 236 C PRO A 19 7.935 4.701 -4.235 1.00 0.00 C ATOM 237 O PRO A 19 8.273 4.225 -5.317 1.00 0.00 O ATOM 238 CB PRO A 19 9.494 6.661 -4.070 1.00 0.00 C ATOM 239 CG PRO A 19 9.990 6.638 -2.665 1.00 0.00 C ATOM 240 CD PRO A 19 8.811 6.996 -1.804 1.00 0.00 C ATOM 0 HA PRO A 19 7.380 6.661 -4.713 1.00 0.00 H new ATOM 0 HB2 PRO A 19 10.079 5.998 -4.707 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.566 7.660 -4.499 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.379 5.654 -2.404 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.804 7.349 -2.527 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.848 6.488 -0.840 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.773 8.066 -1.599 1.00 0.00 H new ATOM 248 N ASN A 20 7.465 3.963 -3.234 1.00 0.00 N ATOM 249 CA ASN A 20 7.318 2.517 -3.355 1.00 0.00 C ATOM 250 C ASN A 20 5.984 2.158 -4.002 1.00 0.00 C ATOM 251 O ASN A 20 5.421 1.095 -3.738 1.00 0.00 O ATOM 252 CB ASN A 20 7.425 1.856 -1.979 1.00 0.00 C ATOM 253 CG ASN A 20 8.863 1.701 -1.522 1.00 0.00 C ATOM 254 OD1 ASN A 20 9.251 0.657 -0.998 1.00 0.00 O ATOM 255 ND2 ASN A 20 9.662 2.744 -1.720 1.00 0.00 N ATOM 0 H ASN A 20 7.180 4.342 -2.331 1.00 0.00 H new ATOM 0 HA ASN A 20 8.121 2.147 -3.992 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.877 2.452 -1.249 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.949 0.876 -2.012 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.640 2.699 -1.434 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.297 3.590 -2.158 1.00 0.00 H new ATOM 262 N ASP A 21 5.485 3.050 -4.850 1.00 0.00 N ATOM 263 CA ASP A 21 4.218 2.827 -5.536 1.00 0.00 C ATOM 264 C ASP A 21 4.183 1.444 -6.177 1.00 0.00 C ATOM 265 O ASP A 21 3.145 0.781 -6.194 1.00 0.00 O ATOM 266 CB ASP A 21 3.994 3.902 -6.601 1.00 0.00 C ATOM 267 CG ASP A 21 5.011 3.825 -7.723 1.00 0.00 C ATOM 268 OD1 ASP A 21 4.757 3.096 -8.705 1.00 0.00 O ATOM 269 OD2 ASP A 21 6.059 4.495 -7.620 1.00 0.00 O ATOM 0 H ASP A 21 5.939 3.934 -5.079 1.00 0.00 H new ATOM 0 HA ASP A 21 3.418 2.886 -4.798 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.991 3.796 -7.015 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.044 4.886 -6.136 1.00 0.00 H new ATOM 274 N THR A 22 5.324 1.013 -6.706 1.00 0.00 N ATOM 275 CA THR A 22 5.424 -0.291 -7.350 1.00 0.00 C ATOM 276 C THR A 22 4.607 -1.338 -6.602 1.00 0.00 C ATOM 277 O THR A 22 3.976 -2.201 -7.213 1.00 0.00 O ATOM 278 CB THR A 22 6.887 -0.764 -7.437 1.00 0.00 C ATOM 279 OG1 THR A 22 7.571 -0.052 -8.475 1.00 0.00 O ATOM 280 CG2 THR A 22 6.957 -2.259 -7.709 1.00 0.00 C ATOM 0 H THR A 22 6.192 1.548 -6.701 1.00 0.00 H new ATOM 0 HA THR A 22 5.026 -0.176 -8.358 1.00 0.00 H new ATOM 0 HB THR A 22 7.369 -0.562 -6.480 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.501 -0.357 -8.523 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.000 -2.570 -7.766 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.461 -2.799 -6.903 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.460 -2.481 -8.653 1.00 0.00 H new ATOM 288 N LEU A 23 4.622 -1.257 -5.276 1.00 0.00 N ATOM 289 CA LEU A 23 3.881 -2.198 -4.443 1.00 0.00 C ATOM 290 C LEU A 23 2.382 -2.094 -4.706 1.00 0.00 C ATOM 291 O LEU A 23 1.691 -3.106 -4.813 1.00 0.00 O ATOM 292 CB LEU A 23 4.171 -1.938 -2.964 1.00 0.00 C ATOM 293 CG LEU A 23 5.511 -2.456 -2.441 1.00 0.00 C ATOM 294 CD1 LEU A 23 6.628 -2.132 -3.421 1.00 0.00 C ATOM 295 CD2 LEU A 23 5.814 -1.866 -1.071 1.00 0.00 C ATOM 0 H LEU A 23 5.139 -0.549 -4.754 1.00 0.00 H new ATOM 0 HA LEU A 23 4.207 -3.206 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.127 -0.863 -2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.374 -2.390 -2.373 1.00 0.00 H new ATOM 0 HG LEU A 23 5.445 -3.539 -2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.574 -2.508 -3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.418 -2.603 -4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.694 -1.052 -3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.771 -2.246 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.860 -0.779 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.028 -2.149 -0.371 1.00 0.00 H new ATOM 307 N GLU A 24 1.889 -0.864 -4.809 1.00 0.00 N ATOM 308 CA GLU A 24 0.472 -0.629 -5.060 1.00 0.00 C ATOM 309 C GLU A 24 -0.068 -1.614 -6.094 1.00 0.00 C ATOM 310 O GLU A 24 -1.216 -2.050 -6.013 1.00 0.00 O ATOM 311 CB GLU A 24 0.247 0.806 -5.541 1.00 0.00 C ATOM 312 CG GLU A 24 -1.209 1.131 -5.829 1.00 0.00 C ATOM 313 CD GLU A 24 -1.650 0.666 -7.203 1.00 0.00 C ATOM 314 OE1 GLU A 24 -0.939 0.960 -8.186 1.00 0.00 O ATOM 315 OE2 GLU A 24 -2.707 0.006 -7.295 1.00 0.00 O ATOM 0 H GLU A 24 2.449 -0.016 -4.723 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.066 -0.779 -4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.622 1.496 -4.785 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.833 0.973 -6.445 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.838 0.663 -5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.360 2.207 -5.748 1.00 0.00 H new ATOM 322 N LYS A 25 0.769 -1.959 -7.067 1.00 0.00 N ATOM 323 CA LYS A 25 0.379 -2.892 -8.117 1.00 0.00 C ATOM 324 C LYS A 25 0.365 -4.325 -7.594 1.00 0.00 C ATOM 325 O LYS A 25 -0.693 -4.943 -7.476 1.00 0.00 O ATOM 326 CB LYS A 25 1.334 -2.781 -9.307 1.00 0.00 C ATOM 327 CG LYS A 25 0.688 -3.118 -10.640 1.00 0.00 C ATOM 328 CD LYS A 25 -0.033 -1.917 -11.228 1.00 0.00 C ATOM 329 CE LYS A 25 -0.728 -2.269 -12.535 1.00 0.00 C ATOM 330 NZ LYS A 25 -1.528 -1.129 -13.062 1.00 0.00 N ATOM 0 H LYS A 25 1.722 -1.606 -7.150 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.628 -2.633 -8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.730 -1.766 -9.351 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.182 -3.447 -9.145 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.450 -3.464 -11.338 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.018 -3.938 -10.507 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.767 -1.546 -10.513 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.681 -1.111 -11.400 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.017 -2.563 -13.275 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.380 -3.129 -12.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.986 -1.409 -13.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.255 -0.865 -12.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.902 -0.316 -13.234 1.00 0.00 H new ATOM 344 N VAL A 26 1.546 -4.848 -7.281 1.00 0.00 N ATOM 345 CA VAL A 26 1.669 -6.207 -6.768 1.00 0.00 C ATOM 346 C VAL A 26 0.609 -6.494 -5.712 1.00 0.00 C ATOM 347 O VAL A 26 0.083 -7.604 -5.630 1.00 0.00 O ATOM 348 CB VAL A 26 3.063 -6.454 -6.161 1.00 0.00 C ATOM 349 CG1 VAL A 26 3.053 -6.166 -4.667 1.00 0.00 C ATOM 350 CG2 VAL A 26 3.519 -7.879 -6.435 1.00 0.00 C ATOM 0 H VAL A 26 2.432 -4.351 -7.374 1.00 0.00 H new ATOM 0 HA VAL A 26 1.525 -6.879 -7.614 1.00 0.00 H new ATOM 0 HB VAL A 26 3.772 -5.774 -6.633 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.046 -6.346 -4.255 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.773 -5.126 -4.499 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.332 -6.820 -4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.506 -8.035 -5.999 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.811 -8.579 -5.992 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.568 -8.045 -7.511 1.00 0.00 H new ATOM 360 N PHE A 27 0.297 -5.485 -4.905 1.00 0.00 N ATOM 361 CA PHE A 27 -0.701 -5.629 -3.852 1.00 0.00 C ATOM 362 C PHE A 27 -2.006 -6.189 -4.412 1.00 0.00 C ATOM 363 O PHE A 27 -2.591 -7.112 -3.847 1.00 0.00 O ATOM 364 CB PHE A 27 -0.960 -4.280 -3.177 1.00 0.00 C ATOM 365 CG PHE A 27 -2.174 -4.275 -2.293 1.00 0.00 C ATOM 366 CD1 PHE A 27 -3.441 -4.122 -2.834 1.00 0.00 C ATOM 367 CD2 PHE A 27 -2.049 -4.424 -0.921 1.00 0.00 C ATOM 368 CE1 PHE A 27 -4.559 -4.117 -2.022 1.00 0.00 C ATOM 369 CE2 PHE A 27 -3.164 -4.419 -0.105 1.00 0.00 C ATOM 370 CZ PHE A 27 -4.421 -4.266 -0.656 1.00 0.00 C ATOM 0 H PHE A 27 0.721 -4.559 -4.960 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.313 -6.329 -3.112 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.087 -4.006 -2.584 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.076 -3.515 -3.945 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.556 -4.005 -3.902 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.069 -4.545 -0.484 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.541 -3.997 -2.456 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.053 -4.535 0.963 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.294 -4.263 -0.020 1.00 0.00 H new ATOM 380 N VAL A 28 -2.455 -5.622 -5.527 1.00 0.00 N ATOM 381 CA VAL A 28 -3.690 -6.064 -6.165 1.00 0.00 C ATOM 382 C VAL A 28 -3.399 -6.861 -7.432 1.00 0.00 C ATOM 383 O VAL A 28 -4.315 -7.259 -8.151 1.00 0.00 O ATOM 384 CB VAL A 28 -4.596 -4.870 -6.520 1.00 0.00 C ATOM 385 CG1 VAL A 28 -3.837 -3.852 -7.356 1.00 0.00 C ATOM 386 CG2 VAL A 28 -5.844 -5.348 -7.248 1.00 0.00 C ATOM 0 H VAL A 28 -1.983 -4.856 -6.007 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.206 -6.702 -5.448 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.906 -4.383 -5.595 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.494 -3.016 -7.597 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.977 -3.488 -6.793 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.495 -4.321 -8.278 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.473 -4.492 -7.492 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.556 -5.860 -8.166 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.398 -6.035 -6.608 1.00 0.00 H new ATOM 396 N SER A 29 -2.117 -7.091 -7.699 1.00 0.00 N ATOM 397 CA SER A 29 -1.704 -7.838 -8.881 1.00 0.00 C ATOM 398 C SER A 29 -1.406 -9.292 -8.528 1.00 0.00 C ATOM 399 O SER A 29 -1.872 -10.214 -9.198 1.00 0.00 O ATOM 400 CB SER A 29 -0.471 -7.191 -9.514 1.00 0.00 C ATOM 401 OG SER A 29 -0.448 -7.400 -10.915 1.00 0.00 O ATOM 0 H SER A 29 -1.347 -6.771 -7.112 1.00 0.00 H new ATOM 0 HA SER A 29 -2.524 -7.818 -9.599 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.469 -6.122 -9.303 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.432 -7.606 -9.066 1.00 0.00 H new ATOM 0 HG SER A 29 0.349 -6.975 -11.296 1.00 0.00 H new ATOM 407 N VAL A 30 -0.625 -9.489 -7.470 1.00 0.00 N ATOM 408 CA VAL A 30 -0.264 -10.830 -7.026 1.00 0.00 C ATOM 409 C VAL A 30 -0.996 -11.199 -5.741 1.00 0.00 C ATOM 410 O VAL A 30 -1.533 -12.300 -5.612 1.00 0.00 O ATOM 411 CB VAL A 30 1.253 -10.955 -6.794 1.00 0.00 C ATOM 412 CG1 VAL A 30 2.022 -10.217 -7.879 1.00 0.00 C ATOM 413 CG2 VAL A 30 1.625 -10.433 -5.415 1.00 0.00 C ATOM 0 H VAL A 30 -0.231 -8.737 -6.905 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.560 -11.516 -7.819 1.00 0.00 H new ATOM 0 HB VAL A 30 1.525 -12.009 -6.844 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.092 -10.317 -7.698 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.777 -10.643 -8.852 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.748 -9.162 -7.865 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.701 -10.529 -5.268 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.340 -9.384 -5.334 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.102 -11.011 -4.654 1.00 0.00 H new ATOM 423 N THR A 31 -1.015 -10.270 -4.790 1.00 0.00 N ATOM 424 CA THR A 31 -1.680 -10.497 -3.513 1.00 0.00 C ATOM 425 C THR A 31 -1.683 -9.232 -2.662 1.00 0.00 C ATOM 426 O THR A 31 -0.746 -8.435 -2.713 1.00 0.00 O ATOM 427 CB THR A 31 -1.005 -11.633 -2.722 1.00 0.00 C ATOM 428 OG1 THR A 31 -1.735 -11.891 -1.517 1.00 0.00 O ATOM 429 CG2 THR A 31 0.434 -11.275 -2.382 1.00 0.00 C ATOM 0 H THR A 31 -0.577 -9.353 -4.880 1.00 0.00 H new ATOM 0 HA THR A 31 -2.708 -10.782 -3.738 1.00 0.00 H new ATOM 0 HB THR A 31 -1.003 -12.528 -3.344 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.301 -12.616 -1.020 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.890 -12.092 -1.823 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.994 -11.107 -3.302 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.450 -10.369 -1.777 1.00 0.00 H new ATOM 437 N LYS A 32 -2.741 -9.054 -1.879 1.00 0.00 N ATOM 438 CA LYS A 32 -2.866 -7.886 -1.014 1.00 0.00 C ATOM 439 C LYS A 32 -2.060 -8.071 0.268 1.00 0.00 C ATOM 440 O LYS A 32 -1.561 -7.103 0.844 1.00 0.00 O ATOM 441 CB LYS A 32 -4.336 -7.633 -0.673 1.00 0.00 C ATOM 442 CG LYS A 32 -5.216 -7.424 -1.893 1.00 0.00 C ATOM 443 CD LYS A 32 -6.687 -7.596 -1.556 1.00 0.00 C ATOM 444 CE LYS A 32 -7.580 -6.995 -2.631 1.00 0.00 C ATOM 445 NZ LYS A 32 -7.887 -7.975 -3.709 1.00 0.00 N ATOM 0 H LYS A 32 -3.525 -9.704 -1.825 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.471 -7.023 -1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.718 -8.478 -0.100 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.405 -6.755 -0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.049 -6.425 -2.296 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.935 -8.133 -2.671 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.914 -8.656 -1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.900 -7.122 -0.598 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.510 -6.649 -2.179 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.091 -6.122 -3.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.498 -7.527 -4.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.002 -8.286 -4.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.376 -8.797 -3.302 1.00 0.00 H new ATOM 459 N TYR A 33 -1.936 -9.317 0.709 1.00 0.00 N ATOM 460 CA TYR A 33 -1.191 -9.628 1.924 1.00 0.00 C ATOM 461 C TYR A 33 0.051 -10.455 1.605 1.00 0.00 C ATOM 462 O TYR A 33 0.062 -11.679 1.731 1.00 0.00 O ATOM 463 CB TYR A 33 -2.081 -10.383 2.913 1.00 0.00 C ATOM 464 CG TYR A 33 -2.838 -9.479 3.859 1.00 0.00 C ATOM 465 CD1 TYR A 33 -3.890 -8.693 3.408 1.00 0.00 C ATOM 466 CD2 TYR A 33 -2.501 -9.412 5.206 1.00 0.00 C ATOM 467 CE1 TYR A 33 -4.584 -7.864 4.268 1.00 0.00 C ATOM 468 CE2 TYR A 33 -3.190 -8.588 6.074 1.00 0.00 C ATOM 469 CZ TYR A 33 -4.230 -7.816 5.601 1.00 0.00 C ATOM 470 OH TYR A 33 -4.920 -6.993 6.462 1.00 0.00 O ATOM 0 H TYR A 33 -2.342 -10.129 0.244 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.873 -8.688 2.376 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.794 -10.991 2.356 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.464 -11.068 3.494 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.171 -8.730 2.366 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.687 -10.015 5.580 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.398 -7.258 3.900 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.916 -8.548 7.118 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.547 -7.077 7.364 1.00 0.00 H new ATOM 480 N PRO A 34 1.124 -9.769 1.183 1.00 0.00 N ATOM 481 CA PRO A 34 2.392 -10.419 0.839 1.00 0.00 C ATOM 482 C PRO A 34 3.109 -10.978 2.063 1.00 0.00 C ATOM 483 O PRO A 34 2.715 -10.713 3.199 1.00 0.00 O ATOM 484 CB PRO A 34 3.210 -9.288 0.210 1.00 0.00 C ATOM 485 CG PRO A 34 2.646 -8.040 0.798 1.00 0.00 C ATOM 486 CD PRO A 34 1.182 -8.308 1.010 1.00 0.00 C ATOM 0 HA PRO A 34 2.245 -11.275 0.181 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.270 -9.390 0.441 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.119 -9.290 -0.876 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.138 -7.795 1.739 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.795 -7.192 0.130 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.800 -7.784 1.886 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.586 -7.980 0.158 1.00 0.00 H new ATOM 494 N ASP A 35 4.162 -11.751 1.825 1.00 0.00 N ATOM 495 CA ASP A 35 4.935 -12.346 2.909 1.00 0.00 C ATOM 496 C ASP A 35 6.431 -12.155 2.679 1.00 0.00 C ATOM 497 O ASP A 35 6.864 -11.858 1.566 1.00 0.00 O ATOM 498 CB ASP A 35 4.612 -13.836 3.035 1.00 0.00 C ATOM 499 CG ASP A 35 3.133 -14.124 2.873 1.00 0.00 C ATOM 500 OD1 ASP A 35 2.634 -14.043 1.731 1.00 0.00 O ATOM 501 OD2 ASP A 35 2.474 -14.431 3.888 1.00 0.00 O ATOM 0 H ASP A 35 4.500 -11.981 0.891 1.00 0.00 H new ATOM 0 HA ASP A 35 4.662 -11.843 3.836 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.172 -14.391 2.282 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.945 -14.196 4.009 1.00 0.00 H new ATOM 506 N GLU A 36 7.214 -12.325 3.739 1.00 0.00 N ATOM 507 CA GLU A 36 8.661 -12.169 3.652 1.00 0.00 C ATOM 508 C GLU A 36 9.182 -12.663 2.305 1.00 0.00 C ATOM 509 O GLU A 36 9.942 -11.971 1.628 1.00 0.00 O ATOM 510 CB GLU A 36 9.348 -12.931 4.787 1.00 0.00 C ATOM 511 CG GLU A 36 10.820 -12.587 4.948 1.00 0.00 C ATOM 512 CD GLU A 36 11.411 -13.138 6.231 1.00 0.00 C ATOM 513 OE1 GLU A 36 11.891 -14.291 6.217 1.00 0.00 O ATOM 514 OE2 GLU A 36 11.393 -12.416 7.249 1.00 0.00 O ATOM 0 H GLU A 36 6.871 -12.571 4.668 1.00 0.00 H new ATOM 0 HA GLU A 36 8.892 -11.108 3.745 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.830 -12.718 5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.251 -14.001 4.605 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.376 -12.981 4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.940 -11.504 4.933 1.00 0.00 H new ATOM 521 N LYS A 37 8.767 -13.867 1.923 1.00 0.00 N ATOM 522 CA LYS A 37 9.189 -14.456 0.658 1.00 0.00 C ATOM 523 C LYS A 37 9.230 -13.404 -0.446 1.00 0.00 C ATOM 524 O LYS A 37 10.249 -13.232 -1.115 1.00 0.00 O ATOM 525 CB LYS A 37 8.244 -15.592 0.260 1.00 0.00 C ATOM 526 CG LYS A 37 8.667 -16.950 0.792 1.00 0.00 C ATOM 527 CD LYS A 37 9.844 -17.512 0.013 1.00 0.00 C ATOM 528 CE LYS A 37 9.392 -18.174 -1.279 1.00 0.00 C ATOM 529 NZ LYS A 37 9.027 -19.603 -1.072 1.00 0.00 N ATOM 0 H LYS A 37 8.139 -14.454 2.472 1.00 0.00 H new ATOM 0 HA LYS A 37 10.194 -14.857 0.790 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.242 -15.364 0.624 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.184 -15.640 -0.827 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.935 -16.862 1.845 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.827 -17.642 0.734 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.547 -16.711 -0.214 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.376 -18.238 0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.535 -17.635 -1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.189 -18.106 -2.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.724 -20.018 -1.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.852 -20.123 -0.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.249 -19.667 -0.384 1.00 0.00 H new ATOM 543 N ARG A 38 8.116 -12.701 -0.628 1.00 0.00 N ATOM 544 CA ARG A 38 8.025 -11.666 -1.651 1.00 0.00 C ATOM 545 C ARG A 38 8.871 -10.453 -1.273 1.00 0.00 C ATOM 546 O ARG A 38 9.660 -9.957 -2.078 1.00 0.00 O ATOM 547 CB ARG A 38 6.569 -11.243 -1.851 1.00 0.00 C ATOM 548 CG ARG A 38 6.340 -10.421 -3.109 1.00 0.00 C ATOM 549 CD ARG A 38 4.859 -10.177 -3.353 1.00 0.00 C ATOM 550 NE ARG A 38 4.151 -11.408 -3.693 1.00 0.00 N ATOM 551 CZ ARG A 38 3.618 -12.223 -2.789 1.00 0.00 C ATOM 552 NH1 ARG A 38 3.714 -11.939 -1.498 1.00 0.00 N ATOM 553 NH2 ARG A 38 2.988 -13.325 -3.176 1.00 0.00 N ATOM 0 H ARG A 38 7.265 -12.829 -0.081 1.00 0.00 H new ATOM 0 HA ARG A 38 8.408 -12.078 -2.585 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.943 -12.134 -1.891 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.246 -10.665 -0.986 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.857 -9.466 -3.020 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.771 -10.938 -3.966 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.412 -9.736 -2.462 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.739 -9.455 -4.160 1.00 0.00 H new ATOM 0 HE ARG A 38 4.061 -11.656 -4.678 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.198 -11.093 -1.196 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.304 -12.566 -0.806 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.912 -13.547 -4.169 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.579 -13.950 -2.481 1.00 0.00 H new ATOM 567 N LEU A 39 8.700 -9.980 -0.043 1.00 0.00 N ATOM 568 CA LEU A 39 9.447 -8.824 0.442 1.00 0.00 C ATOM 569 C LEU A 39 10.912 -8.910 0.029 1.00 0.00 C ATOM 570 O LEU A 39 11.506 -7.921 -0.402 1.00 0.00 O ATOM 571 CB LEU A 39 9.340 -8.726 1.965 1.00 0.00 C ATOM 572 CG LEU A 39 8.063 -8.084 2.508 1.00 0.00 C ATOM 573 CD1 LEU A 39 8.082 -6.581 2.279 1.00 0.00 C ATOM 574 CD2 LEU A 39 6.835 -8.708 1.861 1.00 0.00 C ATOM 0 H LEU A 39 8.051 -10.379 0.636 1.00 0.00 H new ATOM 0 HA LEU A 39 9.015 -7.929 -0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.423 -9.730 2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.194 -8.157 2.333 1.00 0.00 H new ATOM 0 HG LEU A 39 8.016 -8.267 3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.165 -6.141 2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.941 -6.146 2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.153 -6.377 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.936 -8.239 2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.876 -8.557 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.813 -9.776 2.077 1.00 0.00 H new ATOM 586 N LYS A 40 11.490 -10.099 0.160 1.00 0.00 N ATOM 587 CA LYS A 40 12.885 -10.317 -0.203 1.00 0.00 C ATOM 588 C LYS A 40 13.233 -9.581 -1.493 1.00 0.00 C ATOM 589 O LYS A 40 14.265 -8.917 -1.582 1.00 0.00 O ATOM 590 CB LYS A 40 13.164 -11.813 -0.366 1.00 0.00 C ATOM 591 CG LYS A 40 13.156 -12.579 0.945 1.00 0.00 C ATOM 592 CD LYS A 40 13.853 -13.923 0.809 1.00 0.00 C ATOM 593 CE LYS A 40 12.968 -14.941 0.105 1.00 0.00 C ATOM 594 NZ LYS A 40 13.729 -16.158 -0.290 1.00 0.00 N ATOM 0 H LYS A 40 11.013 -10.928 0.515 1.00 0.00 H new ATOM 0 HA LYS A 40 13.509 -9.923 0.599 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.417 -12.243 -1.033 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.133 -11.943 -0.847 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.650 -11.988 1.716 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.127 -12.733 1.272 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.781 -13.798 0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.123 -14.296 1.797 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.146 -15.224 0.763 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.525 -14.486 -0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.091 -16.827 -0.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.498 -15.892 -0.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.131 -16.607 0.558 1.00 0.00 H new ATOM 608 N GLY A 41 12.363 -9.702 -2.492 1.00 0.00 N ATOM 609 CA GLY A 41 12.596 -9.041 -3.763 1.00 0.00 C ATOM 610 C GLY A 41 12.542 -7.531 -3.649 1.00 0.00 C ATOM 611 O GLY A 41 13.545 -6.848 -3.864 1.00 0.00 O ATOM 0 H GLY A 41 11.501 -10.246 -2.443 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.570 -9.338 -4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.850 -9.375 -4.485 1.00 0.00 H new ATOM 615 N LEU A 42 11.369 -7.005 -3.313 1.00 0.00 N ATOM 616 CA LEU A 42 11.188 -5.565 -3.173 1.00 0.00 C ATOM 617 C LEU A 42 12.329 -4.947 -2.371 1.00 0.00 C ATOM 618 O LEU A 42 12.795 -3.850 -2.678 1.00 0.00 O ATOM 619 CB LEU A 42 9.851 -5.262 -2.494 1.00 0.00 C ATOM 620 CG LEU A 42 8.599 -5.522 -3.333 1.00 0.00 C ATOM 621 CD1 LEU A 42 7.354 -5.477 -2.461 1.00 0.00 C ATOM 622 CD2 LEU A 42 8.496 -4.511 -4.465 1.00 0.00 C ATOM 0 H LEU A 42 10.529 -7.555 -3.133 1.00 0.00 H new ATOM 0 HA LEU A 42 11.190 -5.126 -4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.785 -5.858 -1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.850 -4.215 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 42 8.677 -6.518 -3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.473 -5.664 -3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.425 -6.240 -1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.271 -4.495 -1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.599 -4.711 -5.051 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.441 -3.505 -4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.374 -4.592 -5.106 1.00 0.00 H new ATOM 634 N SER A 43 12.777 -5.661 -1.343 1.00 0.00 N ATOM 635 CA SER A 43 13.863 -5.183 -0.495 1.00 0.00 C ATOM 636 C SER A 43 15.022 -4.663 -1.340 1.00 0.00 C ATOM 637 O SER A 43 15.603 -3.619 -1.043 1.00 0.00 O ATOM 638 CB SER A 43 14.351 -6.304 0.425 1.00 0.00 C ATOM 639 OG SER A 43 15.357 -5.837 1.308 1.00 0.00 O ATOM 0 H SER A 43 12.405 -6.573 -1.077 1.00 0.00 H new ATOM 0 HA SER A 43 13.482 -4.363 0.114 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.513 -6.698 0.999 1.00 0.00 H new ATOM 0 HB3 SER A 43 14.742 -7.126 -0.174 1.00 0.00 H new ATOM 0 HG SER A 43 15.410 -4.860 1.256 1.00 0.00 H new ATOM 645 N LYS A 44 15.354 -5.399 -2.395 1.00 0.00 N ATOM 646 CA LYS A 44 16.443 -5.013 -3.285 1.00 0.00 C ATOM 647 C LYS A 44 15.964 -4.005 -4.325 1.00 0.00 C ATOM 648 O LYS A 44 16.595 -2.969 -4.534 1.00 0.00 O ATOM 649 CB LYS A 44 17.019 -6.247 -3.983 1.00 0.00 C ATOM 650 CG LYS A 44 18.204 -5.939 -4.883 1.00 0.00 C ATOM 651 CD LYS A 44 19.473 -5.717 -4.077 1.00 0.00 C ATOM 652 CE LYS A 44 20.686 -5.560 -4.981 1.00 0.00 C ATOM 653 NZ LYS A 44 20.641 -4.288 -5.755 1.00 0.00 N ATOM 0 H LYS A 44 14.885 -6.266 -2.655 1.00 0.00 H new ATOM 0 HA LYS A 44 17.223 -4.545 -2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 44 17.325 -6.971 -3.228 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.235 -6.717 -4.577 1.00 0.00 H new ATOM 0 HG2 LYS A 44 18.355 -6.762 -5.582 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.989 -5.051 -5.478 1.00 0.00 H new ATOM 0 HD2 LYS A 44 19.361 -4.827 -3.458 1.00 0.00 H new ATOM 0 HD3 LYS A 44 19.628 -6.558 -3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 44 21.594 -5.586 -4.378 1.00 0.00 H new ATOM 0 HE3 LYS A 44 20.737 -6.403 -5.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 21.501 -4.203 -6.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 19.806 -4.288 -6.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 20.584 -3.484 -5.098 1.00 0.00 H new ATOM 667 N GLN A 45 14.846 -4.316 -4.973 1.00 0.00 N ATOM 668 CA GLN A 45 14.284 -3.436 -5.991 1.00 0.00 C ATOM 669 C GLN A 45 14.290 -1.985 -5.519 1.00 0.00 C ATOM 670 O GLN A 45 14.874 -1.114 -6.165 1.00 0.00 O ATOM 671 CB GLN A 45 12.857 -3.866 -6.336 1.00 0.00 C ATOM 672 CG GLN A 45 12.325 -3.240 -7.615 1.00 0.00 C ATOM 673 CD GLN A 45 11.251 -4.083 -8.274 1.00 0.00 C ATOM 674 OE1 GLN A 45 11.035 -5.237 -7.901 1.00 0.00 O ATOM 675 NE2 GLN A 45 10.572 -3.511 -9.261 1.00 0.00 N ATOM 0 H GLN A 45 14.312 -5.170 -4.811 1.00 0.00 H new ATOM 0 HA GLN A 45 14.905 -3.512 -6.884 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.827 -4.951 -6.433 1.00 0.00 H new ATOM 0 HB3 GLN A 45 12.197 -3.601 -5.510 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.920 -2.253 -7.391 1.00 0.00 H new ATOM 0 HG3 GLN A 45 13.149 -3.096 -8.314 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.784 -2.552 -9.537 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.838 -4.030 -9.743 1.00 0.00 H new ATOM 684 N LEU A 46 13.635 -1.732 -4.391 1.00 0.00 N ATOM 685 CA LEU A 46 13.565 -0.387 -3.833 1.00 0.00 C ATOM 686 C LEU A 46 14.593 -0.204 -2.721 1.00 0.00 C ATOM 687 O LEU A 46 14.421 0.633 -1.834 1.00 0.00 O ATOM 688 CB LEU A 46 12.160 -0.110 -3.295 1.00 0.00 C ATOM 689 CG LEU A 46 11.017 -0.244 -4.302 1.00 0.00 C ATOM 690 CD1 LEU A 46 9.738 -0.680 -3.603 1.00 0.00 C ATOM 691 CD2 LEU A 46 10.801 1.068 -5.042 1.00 0.00 C ATOM 0 H LEU A 46 13.145 -2.441 -3.845 1.00 0.00 H new ATOM 0 HA LEU A 46 13.789 0.322 -4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.969 -0.792 -2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.142 0.901 -2.887 1.00 0.00 H new ATOM 0 HG LEU A 46 11.288 -1.008 -5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.936 -0.770 -4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.898 -1.644 -3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.463 0.061 -2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.984 0.954 -5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.552 1.852 -4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.712 1.339 -5.575 1.00 0.00 H new ATOM 703 N ASP A 47 15.662 -0.990 -2.776 1.00 0.00 N ATOM 704 CA ASP A 47 16.720 -0.913 -1.775 1.00 0.00 C ATOM 705 C ASP A 47 16.142 -0.612 -0.396 1.00 0.00 C ATOM 706 O ASP A 47 16.693 0.191 0.357 1.00 0.00 O ATOM 707 CB ASP A 47 17.738 0.161 -2.161 1.00 0.00 C ATOM 708 CG ASP A 47 19.064 -0.015 -1.446 1.00 0.00 C ATOM 709 OD1 ASP A 47 19.381 -1.158 -1.057 1.00 0.00 O ATOM 710 OD2 ASP A 47 19.784 0.991 -1.278 1.00 0.00 O ATOM 0 H ASP A 47 15.819 -1.688 -3.503 1.00 0.00 H new ATOM 0 HA ASP A 47 17.221 -1.880 -1.735 1.00 0.00 H new ATOM 0 HB2 ASP A 47 17.902 0.131 -3.238 1.00 0.00 H new ATOM 0 HB3 ASP A 47 17.330 1.145 -1.928 1.00 0.00 H new ATOM 715 N TRP A 48 15.030 -1.261 -0.072 1.00 0.00 N ATOM 716 CA TRP A 48 14.377 -1.062 1.217 1.00 0.00 C ATOM 717 C TRP A 48 14.562 -2.281 2.115 1.00 0.00 C ATOM 718 O TRP A 48 15.266 -3.225 1.758 1.00 0.00 O ATOM 719 CB TRP A 48 12.887 -0.781 1.019 1.00 0.00 C ATOM 720 CG TRP A 48 12.576 0.674 0.833 1.00 0.00 C ATOM 721 CD1 TRP A 48 13.441 1.651 0.430 1.00 0.00 C ATOM 722 CD2 TRP A 48 11.314 1.315 1.045 1.00 0.00 C ATOM 723 NE1 TRP A 48 12.792 2.861 0.379 1.00 0.00 N ATOM 724 CE2 TRP A 48 11.486 2.682 0.751 1.00 0.00 C ATOM 725 CE3 TRP A 48 10.054 0.867 1.453 1.00 0.00 C ATOM 726 CZ2 TRP A 48 10.445 3.601 0.853 1.00 0.00 C ATOM 727 CZ3 TRP A 48 9.023 1.781 1.554 1.00 0.00 C ATOM 728 CH2 TRP A 48 9.223 3.135 1.255 1.00 0.00 C ATOM 0 H TRP A 48 14.561 -1.929 -0.684 1.00 0.00 H new ATOM 0 HA TRP A 48 14.840 -0.203 1.702 1.00 0.00 H new ATOM 0 HB2 TRP A 48 12.533 -1.335 0.150 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.336 -1.155 1.882 1.00 0.00 H new ATOM 0 HD1 TRP A 48 14.482 1.495 0.187 1.00 0.00 H new ATOM 0 HE1 TRP A 48 13.214 3.749 0.108 1.00 0.00 H new ATOM 0 HE3 TRP A 48 9.890 -0.175 1.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 10.597 4.645 0.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 8.046 1.446 1.869 1.00 0.00 H new ATOM 0 HH2 TRP A 48 8.396 3.824 1.344 1.00 0.00 H new ATOM 739 N SER A 49 13.925 -2.253 3.281 1.00 0.00 N ATOM 740 CA SER A 49 14.023 -3.355 4.232 1.00 0.00 C ATOM 741 C SER A 49 12.684 -4.072 4.371 1.00 0.00 C ATOM 742 O SER A 49 11.626 -3.443 4.372 1.00 0.00 O ATOM 743 CB SER A 49 14.483 -2.839 5.597 1.00 0.00 C ATOM 744 OG SER A 49 15.835 -2.419 5.554 1.00 0.00 O ATOM 0 H SER A 49 13.336 -1.480 3.590 1.00 0.00 H new ATOM 0 HA SER A 49 14.758 -4.065 3.854 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.850 -2.007 5.907 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.366 -3.624 6.344 1.00 0.00 H new ATOM 0 HG SER A 49 16.104 -2.092 6.438 1.00 0.00 H new ATOM 750 N VAL A 50 12.738 -5.395 4.488 1.00 0.00 N ATOM 751 CA VAL A 50 11.530 -6.200 4.629 1.00 0.00 C ATOM 752 C VAL A 50 10.551 -5.556 5.604 1.00 0.00 C ATOM 753 O VAL A 50 9.342 -5.549 5.372 1.00 0.00 O ATOM 754 CB VAL A 50 11.859 -7.625 5.114 1.00 0.00 C ATOM 755 CG1 VAL A 50 12.576 -7.580 6.455 1.00 0.00 C ATOM 756 CG2 VAL A 50 10.592 -8.462 5.205 1.00 0.00 C ATOM 0 H VAL A 50 13.605 -5.932 4.488 1.00 0.00 H new ATOM 0 HA VAL A 50 11.070 -6.257 3.642 1.00 0.00 H new ATOM 0 HB VAL A 50 12.525 -8.093 4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 50 12.800 -8.595 6.782 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.504 -7.018 6.352 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.938 -7.094 7.193 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.843 -9.465 5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.900 -7.999 5.909 1.00 0.00 H new ATOM 0 HG23 VAL A 50 10.124 -8.522 4.222 1.00 0.00 H new ATOM 766 N ARG A 51 11.082 -5.016 6.696 1.00 0.00 N ATOM 767 CA ARG A 51 10.255 -4.370 7.708 1.00 0.00 C ATOM 768 C ARG A 51 9.737 -3.024 7.208 1.00 0.00 C ATOM 769 O ARG A 51 8.532 -2.767 7.219 1.00 0.00 O ATOM 770 CB ARG A 51 11.051 -4.174 9.000 1.00 0.00 C ATOM 771 CG ARG A 51 11.093 -5.410 9.883 1.00 0.00 C ATOM 772 CD ARG A 51 12.226 -5.334 10.894 1.00 0.00 C ATOM 773 NE ARG A 51 12.620 -6.656 11.374 1.00 0.00 N ATOM 774 CZ ARG A 51 13.662 -6.868 12.171 1.00 0.00 C ATOM 775 NH1 ARG A 51 14.409 -5.850 12.575 1.00 0.00 N ATOM 776 NH2 ARG A 51 13.957 -8.100 12.565 1.00 0.00 N ATOM 0 H ARG A 51 12.081 -5.013 6.903 1.00 0.00 H new ATOM 0 HA ARG A 51 9.401 -5.017 7.910 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.071 -3.883 8.748 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.615 -3.350 9.564 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.143 -5.517 10.407 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.216 -6.298 9.263 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.086 -4.842 10.439 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.917 -4.719 11.739 1.00 0.00 H new ATOM 0 HE ARG A 51 12.065 -7.460 11.082 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.184 -4.902 12.274 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.208 -6.015 13.187 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.384 -8.885 12.256 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.757 -8.262 13.177 1.00 0.00 H new ATOM 790 N LYS A 52 10.654 -2.168 6.772 1.00 0.00 N ATOM 791 CA LYS A 52 10.292 -0.849 6.267 1.00 0.00 C ATOM 792 C LYS A 52 9.154 -0.947 5.256 1.00 0.00 C ATOM 793 O LYS A 52 8.201 -0.169 5.303 1.00 0.00 O ATOM 794 CB LYS A 52 11.505 -0.176 5.622 1.00 0.00 C ATOM 795 CG LYS A 52 11.310 1.308 5.359 1.00 0.00 C ATOM 796 CD LYS A 52 12.491 1.902 4.611 1.00 0.00 C ATOM 797 CE LYS A 52 12.241 3.354 4.237 1.00 0.00 C ATOM 798 NZ LYS A 52 12.221 4.240 5.434 1.00 0.00 N ATOM 0 H LYS A 52 11.655 -2.364 6.758 1.00 0.00 H new ATOM 0 HA LYS A 52 9.955 -0.245 7.110 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.372 -0.311 6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.730 -0.677 4.680 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.399 1.459 4.780 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.177 1.832 6.306 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.386 1.833 5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.681 1.321 3.709 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.017 3.690 3.549 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.290 3.435 3.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.082 5.226 5.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.443 3.956 6.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.125 4.157 5.942 1.00 0.00 H new ATOM 812 N ILE A 53 9.261 -1.907 4.344 1.00 0.00 N ATOM 813 CA ILE A 53 8.240 -2.108 3.323 1.00 0.00 C ATOM 814 C ILE A 53 6.912 -2.523 3.948 1.00 0.00 C ATOM 815 O ILE A 53 5.884 -1.882 3.728 1.00 0.00 O ATOM 816 CB ILE A 53 8.668 -3.175 2.299 1.00 0.00 C ATOM 817 CG1 ILE A 53 10.065 -2.862 1.758 1.00 0.00 C ATOM 818 CG2 ILE A 53 7.660 -3.256 1.164 1.00 0.00 C ATOM 819 CD1 ILE A 53 10.726 -4.039 1.075 1.00 0.00 C ATOM 0 H ILE A 53 10.044 -2.558 4.291 1.00 0.00 H new ATOM 0 HA ILE A 53 8.116 -1.154 2.810 1.00 0.00 H new ATOM 0 HB ILE A 53 8.700 -4.144 2.798 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.995 -2.035 1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.698 -2.527 2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.977 -4.015 0.449 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.682 -3.521 1.565 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.597 -2.290 0.664 1.00 0.00 H new ATOM 0 HD11 ILE A 53 11.712 -3.745 0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 53 10.828 -4.861 1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.115 -4.361 0.232 1.00 0.00 H new ATOM 831 N GLN A 54 6.942 -3.598 4.729 1.00 0.00 N ATOM 832 CA GLN A 54 5.741 -4.097 5.387 1.00 0.00 C ATOM 833 C GLN A 54 4.848 -2.946 5.837 1.00 0.00 C ATOM 834 O GLN A 54 3.628 -2.995 5.677 1.00 0.00 O ATOM 835 CB GLN A 54 6.116 -4.967 6.589 1.00 0.00 C ATOM 836 CG GLN A 54 6.434 -6.407 6.221 1.00 0.00 C ATOM 837 CD GLN A 54 5.202 -7.291 6.205 1.00 0.00 C ATOM 838 OE1 GLN A 54 4.074 -6.804 6.291 1.00 0.00 O ATOM 839 NE2 GLN A 54 5.411 -8.597 6.093 1.00 0.00 N ATOM 0 H GLN A 54 7.785 -4.140 4.921 1.00 0.00 H new ATOM 0 HA GLN A 54 5.188 -4.702 4.668 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.980 -4.529 7.089 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.294 -4.957 7.305 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.907 -6.431 5.239 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.156 -6.809 6.932 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.363 -8.957 6.024 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.620 -9.240 6.075 1.00 0.00 H new ATOM 848 N CYS A 55 5.463 -1.912 6.401 1.00 0.00 N ATOM 849 CA CYS A 55 4.723 -0.748 6.875 1.00 0.00 C ATOM 850 C CYS A 55 3.933 -0.106 5.740 1.00 0.00 C ATOM 851 O CYS A 55 2.759 0.227 5.897 1.00 0.00 O ATOM 852 CB CYS A 55 5.679 0.274 7.490 1.00 0.00 C ATOM 853 SG CYS A 55 4.869 1.512 8.530 1.00 0.00 S ATOM 0 H CYS A 55 6.472 -1.856 6.541 1.00 0.00 H new ATOM 0 HA CYS A 55 4.020 -1.082 7.638 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.424 -0.254 8.086 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.214 0.783 6.688 1.00 0.00 H new ATOM 0 HG CYS A 55 5.761 2.330 9.006 1.00 0.00 H new ATOM 859 N TRP A 56 4.587 0.067 4.596 1.00 0.00 N ATOM 860 CA TRP A 56 3.946 0.672 3.434 1.00 0.00 C ATOM 861 C TRP A 56 2.688 -0.097 3.044 1.00 0.00 C ATOM 862 O TRP A 56 1.612 0.485 2.905 1.00 0.00 O ATOM 863 CB TRP A 56 4.919 0.714 2.254 1.00 0.00 C ATOM 864 CG TRP A 56 4.380 1.454 1.067 1.00 0.00 C ATOM 865 CD1 TRP A 56 4.616 2.758 0.738 1.00 0.00 C ATOM 866 CD2 TRP A 56 3.515 0.932 0.052 1.00 0.00 C ATOM 867 NE1 TRP A 56 3.949 3.079 -0.419 1.00 0.00 N ATOM 868 CE2 TRP A 56 3.267 1.976 -0.860 1.00 0.00 C ATOM 869 CE3 TRP A 56 2.928 -0.315 -0.175 1.00 0.00 C ATOM 870 CZ2 TRP A 56 2.456 1.809 -1.980 1.00 0.00 C ATOM 871 CZ3 TRP A 56 2.123 -0.480 -1.286 1.00 0.00 C ATOM 872 CH2 TRP A 56 1.894 0.577 -2.178 1.00 0.00 C ATOM 0 H TRP A 56 5.560 -0.203 4.449 1.00 0.00 H new ATOM 0 HA TRP A 56 3.660 1.690 3.697 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.849 1.184 2.575 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.164 -0.306 1.957 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.236 3.437 1.304 1.00 0.00 H new ATOM 0 HE1 TRP A 56 3.960 3.991 -0.876 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.100 -1.136 0.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 2.277 2.623 -2.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.663 -1.439 -1.470 1.00 0.00 H new ATOM 0 HH2 TRP A 56 1.262 0.416 -3.038 1.00 0.00 H new ATOM 883 N PHE A 57 2.830 -1.406 2.870 1.00 0.00 N ATOM 884 CA PHE A 57 1.705 -2.254 2.495 1.00 0.00 C ATOM 885 C PHE A 57 0.526 -2.043 3.441 1.00 0.00 C ATOM 886 O PHE A 57 -0.612 -1.872 3.003 1.00 0.00 O ATOM 887 CB PHE A 57 2.122 -3.726 2.504 1.00 0.00 C ATOM 888 CG PHE A 57 2.656 -4.205 1.184 1.00 0.00 C ATOM 889 CD1 PHE A 57 1.796 -4.659 0.198 1.00 0.00 C ATOM 890 CD2 PHE A 57 4.019 -4.202 0.930 1.00 0.00 C ATOM 891 CE1 PHE A 57 2.285 -5.102 -1.017 1.00 0.00 C ATOM 892 CE2 PHE A 57 4.513 -4.642 -0.283 1.00 0.00 C ATOM 893 CZ PHE A 57 3.645 -5.092 -1.258 1.00 0.00 C ATOM 0 H PHE A 57 3.713 -1.903 2.983 1.00 0.00 H new ATOM 0 HA PHE A 57 1.395 -1.978 1.487 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.882 -3.875 3.271 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.264 -4.337 2.783 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.732 -4.667 0.380 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.703 -3.852 1.689 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.604 -5.456 -1.777 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.577 -4.634 -0.468 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.029 -5.436 -2.207 1.00 0.00 H new ATOM 903 N ARG A 58 0.808 -2.057 4.740 1.00 0.00 N ATOM 904 CA ARG A 58 -0.228 -1.869 5.748 1.00 0.00 C ATOM 905 C ARG A 58 -0.927 -0.524 5.566 1.00 0.00 C ATOM 906 O ARG A 58 -2.151 -0.458 5.456 1.00 0.00 O ATOM 907 CB ARG A 58 0.374 -1.956 7.152 1.00 0.00 C ATOM 908 CG ARG A 58 -0.515 -1.367 8.234 1.00 0.00 C ATOM 909 CD ARG A 58 -0.297 -2.057 9.571 1.00 0.00 C ATOM 910 NE ARG A 58 -0.612 -3.482 9.509 1.00 0.00 N ATOM 911 CZ ARG A 58 -0.677 -4.268 10.578 1.00 0.00 C ATOM 912 NH1 ARG A 58 -0.453 -3.769 11.786 1.00 0.00 N ATOM 913 NH2 ARG A 58 -0.969 -5.555 10.440 1.00 0.00 N ATOM 0 H ARG A 58 1.745 -2.197 5.119 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.966 -2.662 5.626 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.575 -3.001 7.388 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.333 -1.438 7.160 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.309 -0.301 8.335 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.560 -1.463 7.940 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.740 -1.928 9.881 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.918 -1.581 10.330 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.792 -3.896 8.595 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.230 -2.780 11.896 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.503 -4.374 12.605 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.144 -5.942 9.512 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.019 -6.158 11.261 1.00 0.00 H new ATOM 927 N HIS A 59 -0.139 0.547 5.535 1.00 0.00 N ATOM 928 CA HIS A 59 -0.681 1.890 5.366 1.00 0.00 C ATOM 929 C HIS A 59 -1.452 2.004 4.054 1.00 0.00 C ATOM 930 O HIS A 59 -2.465 2.699 3.976 1.00 0.00 O ATOM 931 CB HIS A 59 0.443 2.925 5.403 1.00 0.00 C ATOM 932 CG HIS A 59 0.001 4.273 5.882 1.00 0.00 C ATOM 933 ND1 HIS A 59 0.608 5.448 5.490 1.00 0.00 N ATOM 934 CD2 HIS A 59 -0.997 4.630 6.724 1.00 0.00 C ATOM 935 CE1 HIS A 59 0.004 6.469 6.072 1.00 0.00 C ATOM 936 NE2 HIS A 59 -0.974 6.000 6.826 1.00 0.00 N ATOM 0 H HIS A 59 0.876 0.510 5.625 1.00 0.00 H new ATOM 0 HA HIS A 59 -1.369 2.083 6.189 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.239 2.561 6.052 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.867 3.025 4.404 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -1.684 3.962 7.223 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.265 7.510 5.952 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -1.609 6.563 7.392 1.00 0.00 H new ATOM 945 N ARG A 60 -0.964 1.318 3.026 1.00 0.00 N ATOM 946 CA ARG A 60 -1.605 1.344 1.717 1.00 0.00 C ATOM 947 C ARG A 60 -3.102 1.077 1.839 1.00 0.00 C ATOM 948 O ARG A 60 -3.924 1.936 1.522 1.00 0.00 O ATOM 949 CB ARG A 60 -0.965 0.308 0.791 1.00 0.00 C ATOM 950 CG ARG A 60 -1.334 0.489 -0.672 1.00 0.00 C ATOM 951 CD ARG A 60 -0.658 1.713 -1.270 1.00 0.00 C ATOM 952 NE ARG A 60 -1.452 2.924 -1.078 1.00 0.00 N ATOM 953 CZ ARG A 60 -1.235 4.057 -1.736 1.00 0.00 C ATOM 954 NH1 ARG A 60 -0.253 4.134 -2.624 1.00 0.00 N ATOM 955 NH2 ARG A 60 -2.000 5.116 -1.507 1.00 0.00 N ATOM 0 H ARG A 60 -0.127 0.737 3.074 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.464 2.338 1.291 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.119 0.362 0.893 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.266 -0.689 1.112 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.044 -0.399 -1.234 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.416 0.587 -0.766 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.322 1.846 -0.812 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.493 1.552 -2.335 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.215 2.898 -0.401 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.338 3.322 -2.803 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.088 5.005 -3.128 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.756 5.061 -0.825 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.832 5.985 -2.013 1.00 0.00 H new ATOM 969 N ARG A 61 -3.448 -0.120 2.301 1.00 0.00 N ATOM 970 CA ARG A 61 -4.846 -0.502 2.464 1.00 0.00 C ATOM 971 C ARG A 61 -5.688 0.694 2.900 1.00 0.00 C ATOM 972 O ARG A 61 -6.651 1.065 2.229 1.00 0.00 O ATOM 973 CB ARG A 61 -4.973 -1.630 3.490 1.00 0.00 C ATOM 974 CG ARG A 61 -4.761 -3.015 2.901 1.00 0.00 C ATOM 975 CD ARG A 61 -5.152 -4.105 3.886 1.00 0.00 C ATOM 976 NE ARG A 61 -6.559 -4.476 3.762 1.00 0.00 N ATOM 977 CZ ARG A 61 -7.014 -5.344 2.866 1.00 0.00 C ATOM 978 NH1 ARG A 61 -6.177 -5.929 2.020 1.00 0.00 N ATOM 979 NH2 ARG A 61 -8.308 -5.630 2.815 1.00 0.00 N ATOM 0 H ARG A 61 -2.780 -0.842 2.569 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.215 -0.854 1.501 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.247 -1.468 4.287 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.962 -1.586 3.946 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.350 -3.118 1.990 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.715 -3.136 2.620 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.529 -4.984 3.720 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.956 -3.763 4.902 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.229 -4.045 4.399 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.181 -5.713 2.057 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.529 -6.595 1.333 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.955 -5.183 3.465 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.656 -6.297 2.126 1.00 0.00 H new ATOM 993 N ASN A 62 -5.319 1.292 4.028 1.00 0.00 N ATOM 994 CA ASN A 62 -6.041 2.444 4.554 1.00 0.00 C ATOM 995 C ASN A 62 -6.351 3.445 3.445 1.00 0.00 C ATOM 996 O ASN A 62 -7.508 3.800 3.223 1.00 0.00 O ATOM 997 CB ASN A 62 -5.225 3.124 5.656 1.00 0.00 C ATOM 998 CG ASN A 62 -4.673 2.132 6.661 1.00 0.00 C ATOM 999 OD1 ASN A 62 -3.460 2.031 6.847 1.00 0.00 O ATOM 1000 ND2 ASN A 62 -5.563 1.395 7.315 1.00 0.00 N ATOM 0 H ASN A 62 -4.524 0.998 4.595 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.983 2.090 4.974 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.401 3.677 5.205 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.852 3.850 6.173 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.251 0.711 8.004 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.559 1.513 7.128 1.00 0.00 H new ATOM 1007 N GLN A 63 -5.309 3.893 2.752 1.00 0.00 N ATOM 1008 CA GLN A 63 -5.471 4.853 1.666 1.00 0.00 C ATOM 1009 C GLN A 63 -6.394 4.300 0.584 1.00 0.00 C ATOM 1010 O GLN A 63 -7.324 4.976 0.144 1.00 0.00 O ATOM 1011 CB GLN A 63 -4.110 5.204 1.061 1.00 0.00 C ATOM 1012 CG GLN A 63 -3.222 6.013 1.991 1.00 0.00 C ATOM 1013 CD GLN A 63 -2.261 6.916 1.242 1.00 0.00 C ATOM 1014 OE1 GLN A 63 -2.522 7.313 0.106 1.00 0.00 O ATOM 1015 NE2 GLN A 63 -1.142 7.245 1.876 1.00 0.00 N ATOM 0 H GLN A 63 -4.345 3.607 2.923 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.923 5.756 2.077 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.594 4.283 0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.265 5.766 0.140 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.847 6.619 2.648 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.655 5.334 2.628 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.967 6.893 2.817 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.458 7.850 1.422 1.00 0.00 H new ATOM 1024 N ASP A 64 -6.130 3.069 0.160 1.00 0.00 N ATOM 1025 CA ASP A 64 -6.938 2.426 -0.869 1.00 0.00 C ATOM 1026 C ASP A 64 -8.400 2.843 -0.752 1.00 0.00 C ATOM 1027 O ASP A 64 -9.034 3.209 -1.742 1.00 0.00 O ATOM 1028 CB ASP A 64 -6.818 0.905 -0.765 1.00 0.00 C ATOM 1029 CG ASP A 64 -7.064 0.212 -2.091 1.00 0.00 C ATOM 1030 OD1 ASP A 64 -7.988 0.632 -2.817 1.00 0.00 O ATOM 1031 OD2 ASP A 64 -6.332 -0.751 -2.402 1.00 0.00 O ATOM 0 H ASP A 64 -5.363 2.497 0.513 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.565 2.746 -1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.823 0.646 -0.402 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.532 0.537 -0.028 1.00 0.00 H new ATOM 1036 N LYS A 65 -8.932 2.784 0.464 1.00 0.00 N ATOM 1037 CA LYS A 65 -10.319 3.155 0.712 1.00 0.00 C ATOM 1038 C LYS A 65 -10.517 4.659 0.554 1.00 0.00 C ATOM 1039 O LYS A 65 -9.690 5.467 0.979 1.00 0.00 O ATOM 1040 CB LYS A 65 -10.742 2.720 2.117 1.00 0.00 C ATOM 1041 CG LYS A 65 -12.160 3.127 2.479 1.00 0.00 C ATOM 1042 CD LYS A 65 -13.163 2.051 2.098 1.00 0.00 C ATOM 1043 CE LYS A 65 -13.153 0.901 3.094 1.00 0.00 C ATOM 1044 NZ LYS A 65 -14.446 0.163 3.102 1.00 0.00 N ATOM 0 H LYS A 65 -8.422 2.482 1.294 1.00 0.00 H new ATOM 0 HA LYS A 65 -10.942 2.645 -0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.653 1.636 2.195 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.053 3.150 2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.222 3.321 3.550 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.413 4.058 1.972 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.162 2.484 2.051 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.932 1.673 1.102 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.344 0.214 2.847 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.949 1.287 4.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -14.399 -0.613 3.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -15.215 0.813 3.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.629 -0.228 2.156 1.00 0.00 H new ATOM 1058 N PRO A 66 -11.639 5.047 -0.071 1.00 0.00 N ATOM 1059 CA PRO A 66 -11.972 6.457 -0.299 1.00 0.00 C ATOM 1060 C PRO A 66 -12.324 7.185 0.994 1.00 0.00 C ATOM 1061 O PRO A 66 -13.264 6.808 1.694 1.00 0.00 O ATOM 1062 CB PRO A 66 -13.190 6.389 -1.223 1.00 0.00 C ATOM 1063 CG PRO A 66 -13.807 5.063 -0.940 1.00 0.00 C ATOM 1064 CD PRO A 66 -12.668 4.140 -0.604 1.00 0.00 C ATOM 0 HA PRO A 66 -11.133 7.012 -0.718 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.887 7.202 -1.019 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.898 6.474 -2.270 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.513 5.130 -0.112 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -14.363 4.699 -1.804 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -12.962 3.390 0.130 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -12.313 3.603 -1.484 1.00 0.00 H new ATOM 1072 N SER A 67 -11.564 8.230 1.305 1.00 0.00 N ATOM 1073 CA SER A 67 -11.794 9.009 2.516 1.00 0.00 C ATOM 1074 C SER A 67 -11.591 10.498 2.251 1.00 0.00 C ATOM 1075 O SER A 67 -10.505 10.929 1.867 1.00 0.00 O ATOM 1076 CB SER A 67 -10.856 8.545 3.632 1.00 0.00 C ATOM 1077 OG SER A 67 -11.028 9.327 4.801 1.00 0.00 O ATOM 0 H SER A 67 -10.784 8.557 0.735 1.00 0.00 H new ATOM 0 HA SER A 67 -12.826 8.851 2.830 1.00 0.00 H new ATOM 0 HB2 SER A 67 -11.048 7.497 3.860 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.822 8.613 3.294 1.00 0.00 H new ATOM 0 HG SER A 67 -10.418 9.009 5.500 1.00 0.00 H new ATOM 1083 N GLY A 68 -12.647 11.279 2.460 1.00 0.00 N ATOM 1084 CA GLY A 68 -12.565 12.711 2.238 1.00 0.00 C ATOM 1085 C GLY A 68 -13.665 13.221 1.330 1.00 0.00 C ATOM 1086 O GLY A 68 -14.108 12.534 0.409 1.00 0.00 O ATOM 0 H GLY A 68 -13.557 10.946 2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.620 13.228 3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.596 12.953 1.801 1.00 0.00 H new ATOM 1090 N PRO A 69 -14.127 14.454 1.587 1.00 0.00 N ATOM 1091 CA PRO A 69 -15.189 15.082 0.797 1.00 0.00 C ATOM 1092 C PRO A 69 -14.729 15.442 -0.612 1.00 0.00 C ATOM 1093 O PRO A 69 -13.538 15.390 -0.918 1.00 0.00 O ATOM 1094 CB PRO A 69 -15.520 16.349 1.591 1.00 0.00 C ATOM 1095 CG PRO A 69 -14.275 16.657 2.348 1.00 0.00 C ATOM 1096 CD PRO A 69 -13.645 15.330 2.668 1.00 0.00 C ATOM 0 HA PRO A 69 -16.040 14.416 0.656 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -15.795 17.171 0.929 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -16.362 16.186 2.263 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.601 17.276 1.755 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.499 17.212 3.259 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -12.557 15.394 2.678 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.952 14.965 3.648 1.00 0.00 H new ATOM 1104 N SER A 70 -15.680 15.808 -1.465 1.00 0.00 N ATOM 1105 CA SER A 70 -15.372 16.173 -2.843 1.00 0.00 C ATOM 1106 C SER A 70 -16.158 17.410 -3.266 1.00 0.00 C ATOM 1107 O SER A 70 -17.149 17.775 -2.634 1.00 0.00 O ATOM 1108 CB SER A 70 -15.687 15.009 -3.784 1.00 0.00 C ATOM 1109 OG SER A 70 -15.199 15.262 -5.090 1.00 0.00 O ATOM 0 H SER A 70 -16.670 15.860 -1.226 1.00 0.00 H new ATOM 0 HA SER A 70 -14.308 16.402 -2.903 1.00 0.00 H new ATOM 0 HB2 SER A 70 -15.240 14.093 -3.397 1.00 0.00 H new ATOM 0 HB3 SER A 70 -16.764 14.848 -3.820 1.00 0.00 H new ATOM 0 HG SER A 70 -15.412 14.502 -5.672 1.00 0.00 H new ATOM 1115 N SER A 71 -15.706 18.053 -4.338 1.00 0.00 N ATOM 1116 CA SER A 71 -16.363 19.252 -4.844 1.00 0.00 C ATOM 1117 C SER A 71 -16.792 19.065 -6.297 1.00 0.00 C ATOM 1118 O SER A 71 -15.961 18.846 -7.177 1.00 0.00 O ATOM 1119 CB SER A 71 -15.430 20.458 -4.727 1.00 0.00 C ATOM 1120 OG SER A 71 -15.396 20.949 -3.398 1.00 0.00 O ATOM 0 H SER A 71 -14.887 17.763 -4.873 1.00 0.00 H new ATOM 0 HA SER A 71 -17.253 19.430 -4.241 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.425 20.176 -5.040 1.00 0.00 H new ATOM 0 HB3 SER A 71 -15.764 21.247 -5.401 1.00 0.00 H new ATOM 0 HG SER A 71 -14.791 21.719 -3.349 1.00 0.00 H new ATOM 1126 N GLY A 72 -18.096 19.152 -6.539 1.00 0.00 N ATOM 1127 CA GLY A 72 -18.613 18.990 -7.885 1.00 0.00 C ATOM 1128 C GLY A 72 -19.251 20.258 -8.418 1.00 0.00 C ATOM 1129 O GLY A 72 -20.453 20.293 -8.680 1.00 0.00 O ATOM 0 H GLY A 72 -18.804 19.332 -5.827 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -17.802 18.688 -8.548 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -19.348 18.185 -7.894 1.00 0.00 H new TER 1133 GLY A 72