USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 603 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.111 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 120:sc= 0.358 USER MOD Single : A 23 LYS NZ :NH3+ -139:sc= -0.417 (180deg=-1.97!) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0225 USER MOD Single : A 28 GLN : amide:sc= -5.57! C(o=-5.6!,f=-9!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -169:sc= -0.148 (180deg=-0.504) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -10.1! C(o=-10!,f=-13!) USER MOD Single : A 53 GLN : amide:sc= -0.0105 X(o=-0.01,f=0) USER MOD Single : A 55 CYS SG : rot 180:sc= -0.011 USER MOD Single : A 58 THR OG1 : rot -170:sc= -0.327 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -158:sc= -4.22! (180deg=-5.33!) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 71 ASN : amide:sc= -0.185 X(o=-0.19,f=0) USER MOD Single : A 72 ASN : amide:sc= 0.463 K(o=0.46,f=-1) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 1.15 K(o=1.1,f=-0.035) USER MOD Single : A 75 SER OG : rot 66:sc= 0.201 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.409 27.521 12.047 1.00 0.00 N ATOM 2 CA GLY A 1 -15.483 26.515 11.001 1.00 0.00 C ATOM 3 C GLY A 1 -14.963 25.165 11.501 1.00 0.00 C ATOM 4 O GLY A 1 -14.853 24.946 12.707 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.283 28.085 12.049 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.296 27.055 12.970 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.595 28.144 11.872 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.515 26.410 10.665 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.899 26.837 10.139 1.00 0.00 H new ATOM 8 N SER A 2 -14.657 24.296 10.550 1.00 0.00 N ATOM 9 CA SER A 2 -14.152 22.974 10.878 1.00 0.00 C ATOM 10 C SER A 2 -12.827 22.725 10.154 1.00 0.00 C ATOM 11 O SER A 2 -11.807 22.466 10.790 1.00 0.00 O ATOM 12 CB SER A 2 -15.168 21.889 10.514 1.00 0.00 C ATOM 13 OG SER A 2 -14.756 20.600 10.961 1.00 0.00 O ATOM 0 H SER A 2 -14.749 24.481 9.551 1.00 0.00 H new ATOM 0 HA SER A 2 -13.985 22.930 11.954 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.134 22.134 10.955 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.307 21.871 9.433 1.00 0.00 H new ATOM 0 HG SER A 2 -15.432 19.936 10.711 1.00 0.00 H new ATOM 19 N SER A 3 -12.886 22.813 8.833 1.00 0.00 N ATOM 20 CA SER A 3 -11.704 22.600 8.016 1.00 0.00 C ATOM 21 C SER A 3 -11.103 21.225 8.311 1.00 0.00 C ATOM 22 O SER A 3 -10.157 21.110 9.089 1.00 0.00 O ATOM 23 CB SER A 3 -10.664 23.696 8.257 1.00 0.00 C ATOM 24 OG SER A 3 -11.177 24.993 7.965 1.00 0.00 O ATOM 0 H SER A 3 -13.734 23.029 8.309 1.00 0.00 H new ATOM 0 HA SER A 3 -12.001 22.641 6.968 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.335 23.662 9.296 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.787 23.506 7.639 1.00 0.00 H new ATOM 0 HG SER A 3 -10.483 25.665 8.133 1.00 0.00 H new ATOM 30 N GLY A 4 -11.678 20.215 7.675 1.00 0.00 N ATOM 31 CA GLY A 4 -11.211 18.851 7.859 1.00 0.00 C ATOM 32 C GLY A 4 -12.329 17.846 7.575 1.00 0.00 C ATOM 33 O GLY A 4 -12.850 17.215 8.493 1.00 0.00 O ATOM 0 H GLY A 4 -12.463 20.314 7.031 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.367 18.659 7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.850 18.721 8.879 1.00 0.00 H new ATOM 37 N SER A 5 -12.665 17.728 6.299 1.00 0.00 N ATOM 38 CA SER A 5 -13.711 16.810 5.882 1.00 0.00 C ATOM 39 C SER A 5 -13.297 16.094 4.595 1.00 0.00 C ATOM 40 O SER A 5 -13.280 16.697 3.522 1.00 0.00 O ATOM 41 CB SER A 5 -15.038 17.544 5.677 1.00 0.00 C ATOM 42 OG SER A 5 -15.791 17.631 6.884 1.00 0.00 O ATOM 0 H SER A 5 -12.231 18.253 5.540 1.00 0.00 H new ATOM 0 HA SER A 5 -13.853 16.072 6.671 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.843 18.547 5.298 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.626 17.026 4.919 1.00 0.00 H new ATOM 0 HG SER A 5 -16.630 18.108 6.713 1.00 0.00 H new ATOM 48 N SER A 6 -12.972 14.818 4.743 1.00 0.00 N ATOM 49 CA SER A 6 -12.559 14.014 3.606 1.00 0.00 C ATOM 50 C SER A 6 -13.608 14.099 2.496 1.00 0.00 C ATOM 51 O SER A 6 -13.301 14.505 1.376 1.00 0.00 O ATOM 52 CB SER A 6 -12.335 12.556 4.014 1.00 0.00 C ATOM 53 OG SER A 6 -11.361 11.916 3.195 1.00 0.00 O ATOM 0 H SER A 6 -12.986 14.321 5.634 1.00 0.00 H new ATOM 0 HA SER A 6 -11.613 14.408 3.234 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.016 12.516 5.055 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.277 12.012 3.948 1.00 0.00 H new ATOM 0 HG SER A 6 -11.246 10.988 3.488 1.00 0.00 H new ATOM 59 N GLY A 7 -14.826 13.709 2.845 1.00 0.00 N ATOM 60 CA GLY A 7 -15.922 13.736 1.892 1.00 0.00 C ATOM 61 C GLY A 7 -15.966 12.446 1.070 1.00 0.00 C ATOM 62 O GLY A 7 -15.677 11.367 1.585 1.00 0.00 O ATOM 0 H GLY A 7 -15.077 13.373 3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.866 13.866 2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.809 14.592 1.226 1.00 0.00 H new ATOM 66 N SER A 8 -16.330 12.600 -0.194 1.00 0.00 N ATOM 67 CA SER A 8 -16.416 11.461 -1.093 1.00 0.00 C ATOM 68 C SER A 8 -15.232 11.469 -2.062 1.00 0.00 C ATOM 69 O SER A 8 -15.225 12.223 -3.034 1.00 0.00 O ATOM 70 CB SER A 8 -17.735 11.469 -1.867 1.00 0.00 C ATOM 71 OG SER A 8 -18.275 10.158 -2.014 1.00 0.00 O ATOM 0 H SER A 8 -16.569 13.497 -0.618 1.00 0.00 H new ATOM 0 HA SER A 8 -16.382 10.550 -0.495 1.00 0.00 H new ATOM 0 HB2 SER A 8 -18.456 12.102 -1.349 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.575 11.908 -2.852 1.00 0.00 H new ATOM 0 HG SER A 8 -19.118 10.205 -2.512 1.00 0.00 H new ATOM 77 N ASN A 9 -14.258 10.622 -1.763 1.00 0.00 N ATOM 78 CA ASN A 9 -13.072 10.521 -2.596 1.00 0.00 C ATOM 79 C ASN A 9 -13.029 9.139 -3.251 1.00 0.00 C ATOM 80 O ASN A 9 -13.181 8.123 -2.575 1.00 0.00 O ATOM 81 CB ASN A 9 -11.799 10.689 -1.763 1.00 0.00 C ATOM 82 CG ASN A 9 -10.949 11.848 -2.289 1.00 0.00 C ATOM 83 OD1 ASN A 9 -11.219 13.012 -2.043 1.00 0.00 O ATOM 84 ND2 ASN A 9 -9.909 11.465 -3.025 1.00 0.00 N ATOM 0 H ASN A 9 -14.266 9.999 -0.955 1.00 0.00 H new ATOM 0 HA ASN A 9 -13.119 11.310 -3.347 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -12.063 10.870 -0.721 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -11.219 9.767 -1.789 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.280 12.163 -3.422 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -9.740 10.473 -3.192 1.00 0.00 H new ATOM 91 N PRO A 10 -12.815 9.147 -4.594 1.00 0.00 N ATOM 92 CA PRO A 10 -12.751 7.906 -5.348 1.00 0.00 C ATOM 93 C PRO A 10 -11.423 7.186 -5.106 1.00 0.00 C ATOM 94 O PRO A 10 -10.460 7.792 -4.637 1.00 0.00 O ATOM 95 CB PRO A 10 -12.948 8.317 -6.798 1.00 0.00 C ATOM 96 CG PRO A 10 -12.652 9.807 -6.854 1.00 0.00 C ATOM 97 CD PRO A 10 -12.631 10.331 -5.427 1.00 0.00 C ATOM 0 HA PRO A 10 -13.513 7.189 -5.044 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -12.279 7.761 -7.456 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.966 8.108 -7.128 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.694 9.988 -7.341 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -13.411 10.325 -7.440 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.688 10.830 -5.203 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.425 11.059 -5.261 1.00 0.00 H new ATOM 105 N SER A 11 -11.413 5.903 -5.437 1.00 0.00 N ATOM 106 CA SER A 11 -10.219 5.094 -5.262 1.00 0.00 C ATOM 107 C SER A 11 -9.956 4.269 -6.523 1.00 0.00 C ATOM 108 O SER A 11 -10.476 3.163 -6.666 1.00 0.00 O ATOM 109 CB SER A 11 -10.350 4.176 -4.045 1.00 0.00 C ATOM 110 OG SER A 11 -9.185 4.209 -3.224 1.00 0.00 O ATOM 0 H SER A 11 -12.213 5.404 -5.826 1.00 0.00 H new ATOM 0 HA SER A 11 -9.375 5.762 -5.091 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.217 4.476 -3.456 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.529 3.154 -4.379 1.00 0.00 H new ATOM 0 HG SER A 11 -9.308 3.612 -2.457 1.00 0.00 H new ATOM 116 N SER A 12 -9.149 4.838 -7.406 1.00 0.00 N ATOM 117 CA SER A 12 -8.810 4.169 -8.651 1.00 0.00 C ATOM 118 C SER A 12 -7.417 4.599 -9.114 1.00 0.00 C ATOM 119 O SER A 12 -7.221 5.741 -9.528 1.00 0.00 O ATOM 120 CB SER A 12 -9.846 4.468 -9.737 1.00 0.00 C ATOM 121 OG SER A 12 -10.578 3.305 -10.112 1.00 0.00 O ATOM 0 H SER A 12 -8.720 5.755 -7.284 1.00 0.00 H new ATOM 0 HA SER A 12 -8.811 3.094 -8.472 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.537 5.231 -9.378 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.344 4.879 -10.613 1.00 0.00 H new ATOM 0 HG SER A 12 -11.230 3.538 -10.806 1.00 0.00 H new ATOM 127 N SER A 13 -6.485 3.661 -9.029 1.00 0.00 N ATOM 128 CA SER A 13 -5.115 3.929 -9.434 1.00 0.00 C ATOM 129 C SER A 13 -5.019 3.967 -10.961 1.00 0.00 C ATOM 130 O SER A 13 -4.570 3.005 -11.582 1.00 0.00 O ATOM 131 CB SER A 13 -4.158 2.878 -8.868 1.00 0.00 C ATOM 132 OG SER A 13 -3.630 3.264 -7.602 1.00 0.00 O ATOM 0 H SER A 13 -6.651 2.715 -8.686 1.00 0.00 H new ATOM 0 HA SER A 13 -4.823 4.900 -9.034 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.682 1.927 -8.768 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.339 2.718 -9.569 1.00 0.00 H new ATOM 0 HG SER A 13 -3.025 2.566 -7.273 1.00 0.00 H new ATOM 138 N GLY A 14 -5.449 5.088 -11.521 1.00 0.00 N ATOM 139 CA GLY A 14 -5.417 5.264 -12.963 1.00 0.00 C ATOM 140 C GLY A 14 -5.848 3.984 -13.681 1.00 0.00 C ATOM 141 O GLY A 14 -6.901 3.424 -13.381 1.00 0.00 O ATOM 0 H GLY A 14 -5.821 5.883 -11.002 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.076 6.084 -13.248 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.410 5.540 -13.277 1.00 0.00 H new ATOM 145 N GLY A 15 -5.011 3.558 -14.617 1.00 0.00 N ATOM 146 CA GLY A 15 -5.293 2.354 -15.380 1.00 0.00 C ATOM 147 C GLY A 15 -4.017 1.798 -16.016 1.00 0.00 C ATOM 148 O GLY A 15 -3.010 2.499 -16.112 1.00 0.00 O ATOM 0 H GLY A 15 -4.138 4.025 -14.864 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.737 1.601 -14.728 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.025 2.574 -16.157 1.00 0.00 H new ATOM 152 N THR A 16 -4.101 0.544 -16.435 1.00 0.00 N ATOM 153 CA THR A 16 -2.966 -0.114 -17.060 1.00 0.00 C ATOM 154 C THR A 16 -3.116 -0.105 -18.582 1.00 0.00 C ATOM 155 O THR A 16 -4.208 0.119 -19.101 1.00 0.00 O ATOM 156 CB THR A 16 -2.852 -1.521 -16.469 1.00 0.00 C ATOM 157 OG1 THR A 16 -1.716 -2.080 -17.122 1.00 0.00 O ATOM 158 CG2 THR A 16 -4.009 -2.429 -16.892 1.00 0.00 C ATOM 0 H THR A 16 -4.938 -0.034 -16.354 1.00 0.00 H new ATOM 0 HA THR A 16 -2.037 0.418 -16.854 1.00 0.00 H new ATOM 0 HB THR A 16 -2.820 -1.457 -15.381 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.568 -2.992 -16.797 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.880 -3.415 -16.446 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.952 -1.998 -16.554 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.021 -2.521 -17.978 1.00 0.00 H new ATOM 166 N THR A 17 -2.001 -0.350 -19.256 1.00 0.00 N ATOM 167 CA THR A 17 -1.995 -0.372 -20.709 1.00 0.00 C ATOM 168 C THR A 17 -0.653 -0.893 -21.228 1.00 0.00 C ATOM 169 O THR A 17 0.342 -0.170 -21.221 1.00 0.00 O ATOM 170 CB THR A 17 -2.333 1.035 -21.205 1.00 0.00 C ATOM 171 OG1 THR A 17 -3.427 0.835 -22.096 1.00 0.00 O ATOM 172 CG2 THR A 17 -1.233 1.624 -22.091 1.00 0.00 C ATOM 0 H THR A 17 -1.096 -0.535 -18.823 1.00 0.00 H new ATOM 0 HA THR A 17 -2.748 -1.058 -21.097 1.00 0.00 H new ATOM 0 HB THR A 17 -2.500 1.691 -20.350 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.712 1.698 -22.463 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.523 2.623 -22.416 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.303 1.682 -21.526 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.088 0.987 -22.963 1.00 0.00 H new ATOM 180 N LYS A 18 -0.669 -2.144 -21.665 1.00 0.00 N ATOM 181 CA LYS A 18 0.534 -2.770 -22.187 1.00 0.00 C ATOM 182 C LYS A 18 1.529 -2.983 -21.045 1.00 0.00 C ATOM 183 O LYS A 18 1.957 -4.107 -20.792 1.00 0.00 O ATOM 184 CB LYS A 18 1.100 -1.955 -23.352 1.00 0.00 C ATOM 185 CG LYS A 18 2.383 -1.230 -22.942 1.00 0.00 C ATOM 186 CD LYS A 18 3.148 -0.733 -24.170 1.00 0.00 C ATOM 187 CE LYS A 18 2.778 0.715 -24.498 1.00 0.00 C ATOM 188 NZ LYS A 18 3.641 1.239 -25.579 1.00 0.00 N ATOM 0 H LYS A 18 -1.496 -2.741 -21.668 1.00 0.00 H new ATOM 0 HA LYS A 18 0.304 -3.753 -22.598 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.304 -2.614 -24.196 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.359 -1.229 -23.686 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.138 -0.387 -22.296 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.016 -1.902 -22.363 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.220 -0.806 -23.989 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.925 -1.372 -25.025 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.732 0.769 -24.801 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.885 1.334 -23.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.376 2.223 -25.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.635 1.205 -25.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.519 0.658 -26.433 1.00 0.00 H new ATOM 202 N ARG A 19 1.868 -1.884 -20.385 1.00 0.00 N ATOM 203 CA ARG A 19 2.804 -1.937 -19.276 1.00 0.00 C ATOM 204 C ARG A 19 2.467 -3.108 -18.351 1.00 0.00 C ATOM 205 O ARG A 19 1.409 -3.722 -18.482 1.00 0.00 O ATOM 206 CB ARG A 19 2.778 -0.636 -18.470 1.00 0.00 C ATOM 207 CG ARG A 19 3.811 0.359 -19.003 1.00 0.00 C ATOM 208 CD ARG A 19 3.791 1.656 -18.191 1.00 0.00 C ATOM 209 NE ARG A 19 5.057 2.396 -18.389 1.00 0.00 N ATOM 210 CZ ARG A 19 5.533 3.313 -17.535 1.00 0.00 C ATOM 211 NH1 ARG A 19 4.851 3.608 -16.420 1.00 0.00 N ATOM 212 NH2 ARG A 19 6.691 3.935 -17.796 1.00 0.00 N ATOM 0 H ARG A 19 1.511 -0.953 -20.598 1.00 0.00 H new ATOM 0 HA ARG A 19 3.802 -2.074 -19.692 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.783 -0.194 -18.518 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.981 -0.850 -17.421 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.805 -0.086 -18.961 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.604 0.578 -20.050 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.947 2.274 -18.498 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.653 1.431 -17.133 1.00 0.00 H new ATOM 0 HE ARG A 19 5.602 2.196 -19.228 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.970 3.135 -16.221 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.213 4.306 -15.770 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.210 3.711 -18.645 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.053 4.633 -17.146 1.00 0.00 H new ATOM 226 N PHE A 20 3.386 -3.383 -17.437 1.00 0.00 N ATOM 227 CA PHE A 20 3.200 -4.470 -16.491 1.00 0.00 C ATOM 228 C PHE A 20 2.749 -3.939 -15.129 1.00 0.00 C ATOM 229 O PHE A 20 3.286 -2.949 -14.635 1.00 0.00 O ATOM 230 CB PHE A 20 4.554 -5.163 -16.332 1.00 0.00 C ATOM 231 CG PHE A 20 4.585 -6.598 -16.860 1.00 0.00 C ATOM 232 CD1 PHE A 20 4.675 -6.830 -18.197 1.00 0.00 C ATOM 233 CD2 PHE A 20 4.522 -7.643 -15.991 1.00 0.00 C ATOM 234 CE1 PHE A 20 4.703 -8.163 -18.686 1.00 0.00 C ATOM 235 CE2 PHE A 20 4.550 -8.976 -16.481 1.00 0.00 C ATOM 236 CZ PHE A 20 4.640 -9.208 -17.818 1.00 0.00 C ATOM 0 H PHE A 20 4.262 -2.871 -17.332 1.00 0.00 H new ATOM 0 HA PHE A 20 2.434 -5.154 -16.857 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.313 -4.579 -16.853 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.825 -5.169 -15.276 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.725 -6.001 -18.887 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.451 -7.459 -14.929 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.774 -8.347 -19.748 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.500 -9.806 -15.791 1.00 0.00 H new ATOM 0 HZ PHE A 20 4.661 -10.222 -18.190 1.00 0.00 H new ATOM 246 N ARG A 21 1.766 -4.622 -14.559 1.00 0.00 N ATOM 247 CA ARG A 21 1.237 -4.232 -13.263 1.00 0.00 C ATOM 248 C ARG A 21 2.178 -4.688 -12.147 1.00 0.00 C ATOM 249 O ARG A 21 2.594 -5.845 -12.114 1.00 0.00 O ATOM 250 CB ARG A 21 -0.149 -4.835 -13.031 1.00 0.00 C ATOM 251 CG ARG A 21 -0.074 -6.360 -12.933 1.00 0.00 C ATOM 252 CD ARG A 21 -1.177 -7.018 -13.764 1.00 0.00 C ATOM 253 NE ARG A 21 -2.438 -7.062 -12.990 1.00 0.00 N ATOM 254 CZ ARG A 21 -3.544 -7.702 -13.391 1.00 0.00 C ATOM 255 NH1 ARG A 21 -3.553 -8.356 -14.560 1.00 0.00 N ATOM 256 NH2 ARG A 21 -4.642 -7.688 -12.623 1.00 0.00 N ATOM 0 H ARG A 21 1.322 -5.443 -14.971 1.00 0.00 H new ATOM 0 HA ARG A 21 1.154 -3.145 -13.251 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.578 -4.429 -12.115 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.814 -4.552 -13.847 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.901 -6.703 -13.280 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.167 -6.666 -11.891 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.328 -6.461 -14.689 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.878 -8.028 -14.045 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.466 -6.574 -12.095 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.717 -8.367 -15.145 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.395 -8.843 -14.865 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.635 -7.190 -11.733 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.484 -8.175 -12.929 1.00 0.00 H new ATOM 270 N THR A 22 2.487 -3.754 -11.259 1.00 0.00 N ATOM 271 CA THR A 22 3.371 -4.045 -10.143 1.00 0.00 C ATOM 272 C THR A 22 2.594 -4.712 -9.006 1.00 0.00 C ATOM 273 O THR A 22 1.415 -4.425 -8.804 1.00 0.00 O ATOM 274 CB THR A 22 4.055 -2.741 -9.729 1.00 0.00 C ATOM 275 OG1 THR A 22 2.991 -1.795 -9.669 1.00 0.00 O ATOM 276 CG2 THR A 22 4.980 -2.193 -10.817 1.00 0.00 C ATOM 0 H THR A 22 2.141 -2.795 -11.290 1.00 0.00 H new ATOM 0 HA THR A 22 4.145 -4.758 -10.427 1.00 0.00 H new ATOM 0 HB THR A 22 4.627 -2.906 -8.816 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.928 -1.431 -8.761 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.440 -1.267 -10.471 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.758 -2.925 -11.036 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.403 -1.996 -11.720 1.00 0.00 H new ATOM 284 N LYS A 23 3.286 -5.589 -8.294 1.00 0.00 N ATOM 285 CA LYS A 23 2.675 -6.299 -7.183 1.00 0.00 C ATOM 286 C LYS A 23 3.517 -6.085 -5.923 1.00 0.00 C ATOM 287 O LYS A 23 4.701 -6.414 -5.900 1.00 0.00 O ATOM 288 CB LYS A 23 2.465 -7.772 -7.539 1.00 0.00 C ATOM 289 CG LYS A 23 1.887 -8.545 -6.352 1.00 0.00 C ATOM 290 CD LYS A 23 0.361 -8.436 -6.317 1.00 0.00 C ATOM 291 CE LYS A 23 -0.089 -7.357 -5.330 1.00 0.00 C ATOM 292 NZ LYS A 23 -0.663 -6.200 -6.054 1.00 0.00 N ATOM 0 H LYS A 23 4.264 -5.824 -8.465 1.00 0.00 H new ATOM 0 HA LYS A 23 1.682 -5.900 -6.976 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.791 -7.851 -8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.414 -8.216 -7.840 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.179 -9.593 -6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.304 -8.157 -5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.013 -8.201 -7.313 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.069 -9.396 -6.033 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.830 -7.769 -4.645 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.758 -7.032 -4.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.340 -5.317 -5.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.352 -6.222 -7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.701 -6.247 -6.016 1.00 0.00 H new ATOM 306 N PHE A 24 2.871 -5.534 -4.905 1.00 0.00 N ATOM 307 CA PHE A 24 3.545 -5.272 -3.645 1.00 0.00 C ATOM 308 C PHE A 24 2.789 -5.908 -2.477 1.00 0.00 C ATOM 309 O PHE A 24 1.693 -6.437 -2.656 1.00 0.00 O ATOM 310 CB PHE A 24 3.567 -3.754 -3.457 1.00 0.00 C ATOM 311 CG PHE A 24 4.096 -2.984 -4.669 1.00 0.00 C ATOM 312 CD1 PHE A 24 5.367 -3.195 -5.106 1.00 0.00 C ATOM 313 CD2 PHE A 24 3.296 -2.090 -5.308 1.00 0.00 C ATOM 314 CE1 PHE A 24 5.858 -2.481 -6.231 1.00 0.00 C ATOM 315 CE2 PHE A 24 3.788 -1.375 -6.433 1.00 0.00 C ATOM 316 CZ PHE A 24 5.058 -1.586 -6.870 1.00 0.00 C ATOM 0 H PHE A 24 1.888 -5.262 -4.928 1.00 0.00 H new ATOM 0 HA PHE A 24 4.550 -5.694 -3.665 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.557 -3.411 -3.234 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.183 -3.514 -2.590 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.002 -3.905 -4.598 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.287 -1.923 -4.961 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.867 -2.649 -6.579 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.153 -0.664 -6.941 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.432 -1.042 -7.725 1.00 0.00 H new ATOM 326 N THR A 25 3.404 -5.835 -1.305 1.00 0.00 N ATOM 327 CA THR A 25 2.802 -6.396 -0.108 1.00 0.00 C ATOM 328 C THR A 25 2.133 -5.297 0.719 1.00 0.00 C ATOM 329 O THR A 25 2.530 -4.135 0.651 1.00 0.00 O ATOM 330 CB THR A 25 3.890 -7.154 0.657 1.00 0.00 C ATOM 331 OG1 THR A 25 3.215 -7.668 1.802 1.00 0.00 O ATOM 332 CG2 THR A 25 4.954 -6.221 1.239 1.00 0.00 C ATOM 0 H THR A 25 4.313 -5.396 -1.160 1.00 0.00 H new ATOM 0 HA THR A 25 2.008 -7.100 -0.358 1.00 0.00 H new ATOM 0 HB THR A 25 4.365 -7.876 -0.007 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.846 -8.175 2.354 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.702 -6.809 1.771 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.434 -5.668 0.432 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.485 -5.520 1.929 1.00 0.00 H new ATOM 340 N ALA A 26 1.127 -5.703 1.480 1.00 0.00 N ATOM 341 CA ALA A 26 0.399 -4.767 2.319 1.00 0.00 C ATOM 342 C ALA A 26 1.381 -3.769 2.936 1.00 0.00 C ATOM 343 O ALA A 26 1.254 -2.562 2.734 1.00 0.00 O ATOM 344 CB ALA A 26 -0.391 -5.538 3.379 1.00 0.00 C ATOM 0 H ALA A 26 0.799 -6.667 1.533 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.318 -4.200 1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.937 -4.835 4.008 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.096 -6.211 2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.296 -6.118 3.995 1.00 0.00 H new ATOM 350 N GLU A 27 2.339 -4.310 3.674 1.00 0.00 N ATOM 351 CA GLU A 27 3.342 -3.482 4.322 1.00 0.00 C ATOM 352 C GLU A 27 3.747 -2.325 3.406 1.00 0.00 C ATOM 353 O GLU A 27 3.593 -1.159 3.768 1.00 0.00 O ATOM 354 CB GLU A 27 4.562 -4.313 4.725 1.00 0.00 C ATOM 355 CG GLU A 27 5.051 -3.926 6.122 1.00 0.00 C ATOM 356 CD GLU A 27 6.436 -4.514 6.400 1.00 0.00 C ATOM 357 OE1 GLU A 27 7.241 -4.547 5.444 1.00 0.00 O ATOM 358 OE2 GLU A 27 6.659 -4.916 7.562 1.00 0.00 O ATOM 0 H GLU A 27 2.442 -5.312 3.838 1.00 0.00 H new ATOM 0 HA GLU A 27 2.909 -3.066 5.232 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.307 -5.373 4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.363 -4.164 4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.088 -2.840 6.210 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.344 -4.283 6.871 1.00 0.00 H new ATOM 365 N GLN A 28 4.256 -2.687 2.237 1.00 0.00 N ATOM 366 CA GLN A 28 4.683 -1.693 1.267 1.00 0.00 C ATOM 367 C GLN A 28 3.579 -0.657 1.047 1.00 0.00 C ATOM 368 O GLN A 28 3.795 0.537 1.249 1.00 0.00 O ATOM 369 CB GLN A 28 5.086 -2.354 -0.053 1.00 0.00 C ATOM 370 CG GLN A 28 6.559 -2.091 -0.371 1.00 0.00 C ATOM 371 CD GLN A 28 6.983 -2.817 -1.649 1.00 0.00 C ATOM 372 OE1 GLN A 28 6.271 -2.851 -2.639 1.00 0.00 O ATOM 373 NE2 GLN A 28 8.178 -3.395 -1.572 1.00 0.00 N ATOM 0 H GLN A 28 4.382 -3.655 1.940 1.00 0.00 H new ATOM 0 HA GLN A 28 5.560 -1.181 1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.909 -3.428 0.005 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.462 -1.971 -0.861 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.724 -1.020 -0.485 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.179 -2.422 0.462 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.723 -3.328 -0.712 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.550 -3.906 -2.373 1.00 0.00 H new ATOM 382 N LYS A 29 2.421 -1.151 0.636 1.00 0.00 N ATOM 383 CA LYS A 29 1.283 -0.283 0.387 1.00 0.00 C ATOM 384 C LYS A 29 1.027 0.584 1.622 1.00 0.00 C ATOM 385 O LYS A 29 0.925 1.805 1.518 1.00 0.00 O ATOM 386 CB LYS A 29 0.068 -1.104 -0.050 1.00 0.00 C ATOM 387 CG LYS A 29 0.415 -2.007 -1.236 1.00 0.00 C ATOM 388 CD LYS A 29 -0.080 -3.435 -0.999 1.00 0.00 C ATOM 389 CE LYS A 29 -1.596 -3.464 -0.794 1.00 0.00 C ATOM 390 NZ LYS A 29 -2.241 -4.318 -1.817 1.00 0.00 N ATOM 0 H LYS A 29 2.246 -2.142 0.469 1.00 0.00 H new ATOM 0 HA LYS A 29 1.495 0.395 -0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.284 -1.712 0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.748 -0.435 -0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.035 -1.608 -2.145 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.494 -2.013 -1.390 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.187 -4.062 -1.850 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.417 -3.855 -0.125 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.827 -3.842 0.202 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.996 -2.452 -0.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.270 -4.327 -1.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.035 -3.941 -2.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.872 -5.287 -1.743 1.00 0.00 H new ATOM 404 N GLU A 30 0.932 -0.083 2.763 1.00 0.00 N ATOM 405 CA GLU A 30 0.691 0.611 4.017 1.00 0.00 C ATOM 406 C GLU A 30 1.761 1.680 4.247 1.00 0.00 C ATOM 407 O GLU A 30 1.442 2.856 4.413 1.00 0.00 O ATOM 408 CB GLU A 30 0.639 -0.373 5.187 1.00 0.00 C ATOM 409 CG GLU A 30 -0.518 -1.361 5.022 1.00 0.00 C ATOM 410 CD GLU A 30 -0.900 -1.987 6.365 1.00 0.00 C ATOM 411 OE1 GLU A 30 -1.408 -1.230 7.220 1.00 0.00 O ATOM 412 OE2 GLU A 30 -0.676 -3.209 6.505 1.00 0.00 O ATOM 0 H GLU A 30 1.017 -1.096 2.845 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.279 1.104 3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.581 -0.918 5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.524 0.175 6.122 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.381 -0.848 4.597 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.235 -2.144 4.319 1.00 0.00 H new ATOM 419 N LYS A 31 3.008 1.233 4.248 1.00 0.00 N ATOM 420 CA LYS A 31 4.127 2.136 4.455 1.00 0.00 C ATOM 421 C LYS A 31 3.962 3.360 3.551 1.00 0.00 C ATOM 422 O LYS A 31 4.051 4.495 4.016 1.00 0.00 O ATOM 423 CB LYS A 31 5.453 1.400 4.257 1.00 0.00 C ATOM 424 CG LYS A 31 6.025 0.931 5.597 1.00 0.00 C ATOM 425 CD LYS A 31 6.022 -0.596 5.689 1.00 0.00 C ATOM 426 CE LYS A 31 7.448 -1.144 5.758 1.00 0.00 C ATOM 427 NZ LYS A 31 7.818 -1.452 7.158 1.00 0.00 N ATOM 0 H LYS A 31 3.268 0.257 4.109 1.00 0.00 H new ATOM 0 HA LYS A 31 4.140 2.497 5.483 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.303 0.542 3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.168 2.058 3.762 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.043 1.304 5.713 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.437 1.349 6.414 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.465 -0.910 6.572 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.509 -1.015 4.823 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.528 -2.044 5.148 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.144 -0.415 5.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.789 -1.823 7.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.761 -0.586 7.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.164 -2.164 7.541 1.00 0.00 H new ATOM 441 N MET A 32 3.726 3.087 2.276 1.00 0.00 N ATOM 442 CA MET A 32 3.548 4.151 1.303 1.00 0.00 C ATOM 443 C MET A 32 2.372 5.052 1.685 1.00 0.00 C ATOM 444 O MET A 32 2.503 6.275 1.706 1.00 0.00 O ATOM 445 CB MET A 32 3.298 3.544 -0.079 1.00 0.00 C ATOM 446 CG MET A 32 4.571 2.901 -0.633 1.00 0.00 C ATOM 447 SD MET A 32 4.586 3.012 -2.414 1.00 0.00 S ATOM 448 CE MET A 32 4.111 1.344 -2.833 1.00 0.00 C ATOM 0 H MET A 32 3.654 2.144 1.894 1.00 0.00 H new ATOM 0 HA MET A 32 4.455 4.756 1.285 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.507 2.797 -0.014 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.950 4.318 -0.763 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.449 3.400 -0.222 1.00 0.00 H new ATOM 0 HG3 MET A 32 4.624 1.857 -0.325 1.00 0.00 H new ATOM 0 HE1 MET A 32 4.259 1.181 -3.901 1.00 0.00 H new ATOM 0 HE2 MET A 32 4.723 0.639 -2.270 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.061 1.192 -2.585 1.00 0.00 H new ATOM 458 N LEU A 33 1.249 4.413 1.978 1.00 0.00 N ATOM 459 CA LEU A 33 0.050 5.141 2.358 1.00 0.00 C ATOM 460 C LEU A 33 0.424 6.251 3.342 1.00 0.00 C ATOM 461 O LEU A 33 -0.034 7.385 3.207 1.00 0.00 O ATOM 462 CB LEU A 33 -1.014 4.180 2.891 1.00 0.00 C ATOM 463 CG LEU A 33 -2.116 3.786 1.905 1.00 0.00 C ATOM 464 CD1 LEU A 33 -3.203 4.861 1.839 1.00 0.00 C ATOM 465 CD2 LEU A 33 -1.532 3.476 0.525 1.00 0.00 C ATOM 0 H LEU A 33 1.144 3.399 1.960 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.396 5.622 1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.517 3.272 3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.481 4.635 3.765 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.588 2.873 2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.974 4.556 1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.647 4.990 2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.763 5.804 1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.336 3.199 -0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.018 4.357 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.825 2.651 0.606 1.00 0.00 H new ATOM 477 N ALA A 34 1.252 5.887 4.310 1.00 0.00 N ATOM 478 CA ALA A 34 1.692 6.838 5.316 1.00 0.00 C ATOM 479 C ALA A 34 2.841 7.676 4.751 1.00 0.00 C ATOM 480 O ALA A 34 2.753 8.902 4.699 1.00 0.00 O ATOM 481 CB ALA A 34 2.088 6.088 6.589 1.00 0.00 C ATOM 0 H ALA A 34 1.630 4.946 4.419 1.00 0.00 H new ATOM 0 HA ALA A 34 0.884 7.521 5.578 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.418 6.802 7.344 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.229 5.532 6.966 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.899 5.395 6.366 1.00 0.00 H new ATOM 487 N PHE A 35 3.893 6.981 4.344 1.00 0.00 N ATOM 488 CA PHE A 35 5.058 7.646 3.785 1.00 0.00 C ATOM 489 C PHE A 35 4.646 8.840 2.921 1.00 0.00 C ATOM 490 O PHE A 35 5.180 9.937 3.078 1.00 0.00 O ATOM 491 CB PHE A 35 5.779 6.621 2.907 1.00 0.00 C ATOM 492 CG PHE A 35 7.202 7.028 2.517 1.00 0.00 C ATOM 493 CD1 PHE A 35 8.180 7.068 3.460 1.00 0.00 C ATOM 494 CD2 PHE A 35 7.488 7.348 1.226 1.00 0.00 C ATOM 495 CE1 PHE A 35 9.500 7.446 3.098 1.00 0.00 C ATOM 496 CE2 PHE A 35 8.808 7.725 0.864 1.00 0.00 C ATOM 497 CZ PHE A 35 9.786 7.766 1.808 1.00 0.00 C ATOM 0 H PHE A 35 3.963 5.964 4.390 1.00 0.00 H new ATOM 0 HA PHE A 35 5.696 8.016 4.587 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.816 5.668 3.435 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.196 6.461 2.000 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.953 6.812 4.484 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.711 7.315 0.477 1.00 0.00 H new ATOM 0 HE1 PHE A 35 10.277 7.479 3.848 1.00 0.00 H new ATOM 0 HE2 PHE A 35 9.035 7.979 -0.161 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.790 8.053 1.533 1.00 0.00 H new ATOM 507 N ALA A 36 3.701 8.586 2.029 1.00 0.00 N ATOM 508 CA ALA A 36 3.212 9.626 1.140 1.00 0.00 C ATOM 509 C ALA A 36 2.548 10.728 1.969 1.00 0.00 C ATOM 510 O ALA A 36 2.986 11.877 1.945 1.00 0.00 O ATOM 511 CB ALA A 36 2.258 9.014 0.113 1.00 0.00 C ATOM 0 H ALA A 36 3.260 7.675 1.902 1.00 0.00 H new ATOM 0 HA ALA A 36 4.036 10.079 0.589 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.891 9.795 -0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.786 8.258 -0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.416 8.552 0.629 1.00 0.00 H new ATOM 517 N GLU A 37 1.501 10.338 2.682 1.00 0.00 N ATOM 518 CA GLU A 37 0.772 11.278 3.516 1.00 0.00 C ATOM 519 C GLU A 37 1.745 12.221 4.228 1.00 0.00 C ATOM 520 O GLU A 37 1.424 13.384 4.468 1.00 0.00 O ATOM 521 CB GLU A 37 -0.116 10.544 4.523 1.00 0.00 C ATOM 522 CG GLU A 37 -1.562 10.473 4.029 1.00 0.00 C ATOM 523 CD GLU A 37 -2.176 11.871 3.929 1.00 0.00 C ATOM 524 OE1 GLU A 37 -1.738 12.741 4.712 1.00 0.00 O ATOM 525 OE2 GLU A 37 -3.071 12.037 3.072 1.00 0.00 O ATOM 0 H GLU A 37 1.141 9.384 2.699 1.00 0.00 H new ATOM 0 HA GLU A 37 0.122 11.874 2.875 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.267 9.536 4.684 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.081 11.056 5.485 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.594 9.987 3.054 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.153 9.860 4.710 1.00 0.00 H new ATOM 532 N ARG A 38 2.913 11.683 4.547 1.00 0.00 N ATOM 533 CA ARG A 38 3.934 12.462 5.227 1.00 0.00 C ATOM 534 C ARG A 38 4.576 13.457 4.258 1.00 0.00 C ATOM 535 O ARG A 38 4.677 14.645 4.559 1.00 0.00 O ATOM 536 CB ARG A 38 5.021 11.556 5.810 1.00 0.00 C ATOM 537 CG ARG A 38 4.431 10.223 6.276 1.00 0.00 C ATOM 538 CD ARG A 38 4.951 9.849 7.665 1.00 0.00 C ATOM 539 NE ARG A 38 4.816 11.002 8.584 1.00 0.00 N ATOM 540 CZ ARG A 38 5.368 11.060 9.803 1.00 0.00 C ATOM 541 NH1 ARG A 38 6.097 10.031 10.258 1.00 0.00 N ATOM 542 NH2 ARG A 38 5.192 12.146 10.567 1.00 0.00 N ATOM 0 H ARG A 38 3.175 10.718 4.347 1.00 0.00 H new ATOM 0 HA ARG A 38 3.451 13.002 6.041 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.790 11.375 5.059 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.506 12.056 6.648 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.343 10.290 6.297 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.688 9.439 5.564 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.394 8.997 8.054 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.996 9.545 7.601 1.00 0.00 H new ATOM 0 HE ARG A 38 4.268 11.803 8.269 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.231 9.204 9.676 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.517 10.075 11.186 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.638 12.929 10.221 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.612 12.190 11.495 1.00 0.00 H new ATOM 556 N LEU A 39 4.994 12.935 3.114 1.00 0.00 N ATOM 557 CA LEU A 39 5.623 13.762 2.099 1.00 0.00 C ATOM 558 C LEU A 39 4.558 14.624 1.417 1.00 0.00 C ATOM 559 O LEU A 39 4.883 15.510 0.629 1.00 0.00 O ATOM 560 CB LEU A 39 6.430 12.898 1.127 1.00 0.00 C ATOM 561 CG LEU A 39 7.178 11.715 1.744 1.00 0.00 C ATOM 562 CD1 LEU A 39 6.916 10.430 0.958 1.00 0.00 C ATOM 563 CD2 LEU A 39 8.673 12.016 1.869 1.00 0.00 C ATOM 0 H LEU A 39 4.909 11.949 2.868 1.00 0.00 H new ATOM 0 HA LEU A 39 6.341 14.443 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.753 12.516 0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.154 13.536 0.620 1.00 0.00 H new ATOM 0 HG LEU A 39 6.796 11.558 2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.460 9.605 1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.848 10.210 0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.253 10.558 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.181 11.159 2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.088 12.214 0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.816 12.890 2.505 1.00 0.00 H new ATOM 575 N GLY A 40 3.308 14.332 1.745 1.00 0.00 N ATOM 576 CA GLY A 40 2.193 15.069 1.174 1.00 0.00 C ATOM 577 C GLY A 40 1.885 14.585 -0.244 1.00 0.00 C ATOM 578 O GLY A 40 1.350 15.336 -1.058 1.00 0.00 O ATOM 0 H GLY A 40 3.043 13.595 2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.311 14.947 1.803 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.427 16.133 1.156 1.00 0.00 H new ATOM 582 N TRP A 41 2.235 13.332 -0.497 1.00 0.00 N ATOM 583 CA TRP A 41 2.002 12.739 -1.802 1.00 0.00 C ATOM 584 C TRP A 41 2.891 13.462 -2.816 1.00 0.00 C ATOM 585 O TRP A 41 2.550 13.552 -3.994 1.00 0.00 O ATOM 586 CB TRP A 41 0.518 12.785 -2.169 1.00 0.00 C ATOM 587 CG TRP A 41 -0.371 11.913 -1.280 1.00 0.00 C ATOM 588 CD1 TRP A 41 -1.111 12.291 -0.229 1.00 0.00 C ATOM 589 CD2 TRP A 41 -0.584 10.491 -1.408 1.00 0.00 C ATOM 590 NE1 TRP A 41 -1.783 11.222 0.328 1.00 0.00 N ATOM 591 CE2 TRP A 41 -1.452 10.092 -0.413 1.00 0.00 C ATOM 592 CE3 TRP A 41 -0.060 9.573 -2.335 1.00 0.00 C ATOM 593 CZ2 TRP A 41 -1.873 8.767 -0.248 1.00 0.00 C ATOM 594 CZ3 TRP A 41 -0.491 8.253 -2.157 1.00 0.00 C ATOM 595 CH2 TRP A 41 -1.364 7.835 -1.160 1.00 0.00 C ATOM 0 H TRP A 41 2.678 12.711 0.180 1.00 0.00 H new ATOM 0 HA TRP A 41 2.268 11.682 -1.797 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.172 13.817 -2.111 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.401 12.468 -3.205 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -1.174 13.305 0.137 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.407 11.254 1.134 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.621 9.863 -3.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.553 8.480 0.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.119 7.507 -2.843 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.649 6.796 -1.089 1.00 0.00 H new ATOM 606 N ARG A 42 4.015 13.960 -2.320 1.00 0.00 N ATOM 607 CA ARG A 42 4.956 14.672 -3.168 1.00 0.00 C ATOM 608 C ARG A 42 6.391 14.409 -2.706 1.00 0.00 C ATOM 609 O ARG A 42 6.659 14.341 -1.508 1.00 0.00 O ATOM 610 CB ARG A 42 4.688 16.178 -3.143 1.00 0.00 C ATOM 611 CG ARG A 42 4.832 16.738 -1.726 1.00 0.00 C ATOM 612 CD ARG A 42 4.964 18.262 -1.749 1.00 0.00 C ATOM 613 NE ARG A 42 4.887 18.798 -0.372 1.00 0.00 N ATOM 614 CZ ARG A 42 5.113 20.079 -0.050 1.00 0.00 C ATOM 615 NH1 ARG A 42 5.431 20.963 -1.005 1.00 0.00 N ATOM 616 NH2 ARG A 42 5.020 20.475 1.226 1.00 0.00 N ATOM 0 H ARG A 42 4.295 13.884 -1.342 1.00 0.00 H new ATOM 0 HA ARG A 42 4.826 14.308 -4.187 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.384 16.686 -3.811 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.684 16.378 -3.517 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.966 16.454 -1.129 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.707 16.301 -1.246 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.912 18.546 -2.206 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.173 18.695 -2.361 1.00 0.00 H new ATOM 0 HE ARG A 42 4.647 18.152 0.380 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.501 20.661 -1.977 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.603 21.938 -0.760 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.777 19.802 1.953 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.192 21.450 1.471 1.00 0.00 H new ATOM 630 N ILE A 43 7.275 14.267 -3.682 1.00 0.00 N ATOM 631 CA ILE A 43 8.676 14.012 -3.392 1.00 0.00 C ATOM 632 C ILE A 43 9.524 15.159 -3.946 1.00 0.00 C ATOM 633 O ILE A 43 9.428 15.492 -5.126 1.00 0.00 O ATOM 634 CB ILE A 43 9.089 12.634 -3.912 1.00 0.00 C ATOM 635 CG1 ILE A 43 8.411 11.520 -3.113 1.00 0.00 C ATOM 636 CG2 ILE A 43 10.612 12.486 -3.923 1.00 0.00 C ATOM 637 CD1 ILE A 43 8.686 10.151 -3.738 1.00 0.00 C ATOM 0 H ILE A 43 7.049 14.324 -4.675 1.00 0.00 H new ATOM 0 HA ILE A 43 8.843 13.983 -2.315 1.00 0.00 H new ATOM 0 HB ILE A 43 8.749 12.543 -4.944 1.00 0.00 H new ATOM 0 HG12 ILE A 43 8.773 11.533 -2.085 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.336 11.697 -3.075 1.00 0.00 H new ATOM 0 HG21 ILE A 43 10.879 11.498 -4.297 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.047 13.248 -4.570 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.997 12.607 -2.910 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.192 9.377 -3.150 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.302 10.133 -4.758 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.760 9.967 -3.752 1.00 0.00 H new ATOM 649 N GLN A 44 10.335 15.731 -3.068 1.00 0.00 N ATOM 650 CA GLN A 44 11.199 16.833 -3.455 1.00 0.00 C ATOM 651 C GLN A 44 12.661 16.487 -3.166 1.00 0.00 C ATOM 652 O GLN A 44 12.970 15.366 -2.766 1.00 0.00 O ATOM 653 CB GLN A 44 10.791 18.125 -2.744 1.00 0.00 C ATOM 654 CG GLN A 44 9.556 18.746 -3.401 1.00 0.00 C ATOM 655 CD GLN A 44 9.676 20.270 -3.464 1.00 0.00 C ATOM 656 OE1 GLN A 44 10.231 20.837 -4.391 1.00 0.00 O ATOM 657 NE2 GLN A 44 9.128 20.899 -2.428 1.00 0.00 N ATOM 0 H GLN A 44 10.412 15.452 -2.090 1.00 0.00 H new ATOM 0 HA GLN A 44 11.089 16.996 -4.527 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.583 17.917 -1.695 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.617 18.835 -2.770 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.435 18.345 -4.407 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.664 18.471 -2.839 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.679 20.363 -1.685 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.157 21.917 -2.376 1.00 0.00 H new ATOM 666 N LYS A 45 13.522 17.471 -3.382 1.00 0.00 N ATOM 667 CA LYS A 45 14.945 17.285 -3.151 1.00 0.00 C ATOM 668 C LYS A 45 15.173 16.908 -1.686 1.00 0.00 C ATOM 669 O LYS A 45 16.078 16.134 -1.374 1.00 0.00 O ATOM 670 CB LYS A 45 15.726 18.522 -3.597 1.00 0.00 C ATOM 671 CG LYS A 45 15.713 19.600 -2.511 1.00 0.00 C ATOM 672 CD LYS A 45 16.925 19.462 -1.587 1.00 0.00 C ATOM 673 CE LYS A 45 16.953 20.585 -0.548 1.00 0.00 C ATOM 674 NZ LYS A 45 17.503 21.825 -1.139 1.00 0.00 N ATOM 0 H LYS A 45 13.262 18.399 -3.714 1.00 0.00 H new ATOM 0 HA LYS A 45 15.326 16.462 -3.756 1.00 0.00 H new ATOM 0 HB2 LYS A 45 16.755 18.244 -3.826 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.292 18.920 -4.514 1.00 0.00 H new ATOM 0 HG2 LYS A 45 15.714 20.587 -2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.796 19.522 -1.927 1.00 0.00 H new ATOM 0 HD2 LYS A 45 16.894 18.496 -1.083 1.00 0.00 H new ATOM 0 HD3 LYS A 45 17.841 19.485 -2.177 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.945 20.769 -0.175 1.00 0.00 H new ATOM 0 HE3 LYS A 45 17.559 20.283 0.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.515 22.577 -0.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 18.472 21.650 -1.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.909 22.121 -1.940 1.00 0.00 H new ATOM 688 N HIS A 46 14.338 17.472 -0.825 1.00 0.00 N ATOM 689 CA HIS A 46 14.438 17.205 0.600 1.00 0.00 C ATOM 690 C HIS A 46 14.078 15.743 0.874 1.00 0.00 C ATOM 691 O HIS A 46 14.690 15.099 1.724 1.00 0.00 O ATOM 692 CB HIS A 46 13.580 18.187 1.398 1.00 0.00 C ATOM 693 CG HIS A 46 12.096 17.918 1.312 1.00 0.00 C ATOM 694 ND1 HIS A 46 11.266 18.572 0.419 1.00 0.00 N ATOM 695 CD2 HIS A 46 11.304 17.057 2.014 1.00 0.00 C ATOM 696 CE1 HIS A 46 10.032 18.120 0.586 1.00 0.00 C ATOM 697 NE2 HIS A 46 10.058 17.181 1.575 1.00 0.00 N ATOM 0 H HIS A 46 13.589 18.113 -1.087 1.00 0.00 H new ATOM 0 HA HIS A 46 15.465 17.358 0.932 1.00 0.00 H new ATOM 0 HB2 HIS A 46 13.885 18.153 2.444 1.00 0.00 H new ATOM 0 HB3 HIS A 46 13.777 19.198 1.041 1.00 0.00 H new ATOM 0 HD2 HIS A 46 11.635 16.388 2.795 1.00 0.00 H new ATOM 0 HE1 HIS A 46 9.159 18.439 0.036 1.00 0.00 H new ATOM 0 HE2 HIS A 46 9.252 16.660 1.920 1.00 0.00 H new ATOM 705 N ASP A 47 13.086 15.264 0.139 1.00 0.00 N ATOM 706 CA ASP A 47 12.637 13.890 0.292 1.00 0.00 C ATOM 707 C ASP A 47 13.520 12.972 -0.555 1.00 0.00 C ATOM 708 O ASP A 47 13.016 12.182 -1.351 1.00 0.00 O ATOM 709 CB ASP A 47 11.192 13.727 -0.184 1.00 0.00 C ATOM 710 CG ASP A 47 10.209 14.761 0.368 1.00 0.00 C ATOM 711 OD1 ASP A 47 9.885 14.651 1.570 1.00 0.00 O ATOM 712 OD2 ASP A 47 9.803 15.638 -0.424 1.00 0.00 O ATOM 0 H ASP A 47 12.580 15.802 -0.564 1.00 0.00 H new ATOM 0 HA ASP A 47 12.700 13.630 1.349 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.176 13.778 -1.273 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.844 12.732 0.094 1.00 0.00 H new ATOM 717 N ASP A 48 14.823 13.106 -0.353 1.00 0.00 N ATOM 718 CA ASP A 48 15.781 12.298 -1.088 1.00 0.00 C ATOM 719 C ASP A 48 16.152 11.070 -0.254 1.00 0.00 C ATOM 720 O ASP A 48 15.909 9.937 -0.667 1.00 0.00 O ATOM 721 CB ASP A 48 17.063 13.083 -1.369 1.00 0.00 C ATOM 722 CG ASP A 48 17.487 13.124 -2.839 1.00 0.00 C ATOM 723 OD1 ASP A 48 16.708 12.608 -3.669 1.00 0.00 O ATOM 724 OD2 ASP A 48 18.581 13.670 -3.099 1.00 0.00 O ATOM 0 H ASP A 48 15.237 13.762 0.309 1.00 0.00 H new ATOM 0 HA ASP A 48 15.322 12.007 -2.033 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.930 14.106 -1.016 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.873 12.647 -0.785 1.00 0.00 H new ATOM 729 N VAL A 49 16.735 11.337 0.906 1.00 0.00 N ATOM 730 CA VAL A 49 17.143 10.268 1.802 1.00 0.00 C ATOM 731 C VAL A 49 15.909 9.474 2.237 1.00 0.00 C ATOM 732 O VAL A 49 15.876 8.252 2.108 1.00 0.00 O ATOM 733 CB VAL A 49 17.929 10.845 2.981 1.00 0.00 C ATOM 734 CG1 VAL A 49 18.451 9.730 3.889 1.00 0.00 C ATOM 735 CG2 VAL A 49 19.072 11.737 2.494 1.00 0.00 C ATOM 0 H VAL A 49 16.934 12.278 1.246 1.00 0.00 H new ATOM 0 HA VAL A 49 17.812 9.575 1.291 1.00 0.00 H new ATOM 0 HB VAL A 49 17.249 11.463 3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 49 19.006 10.167 4.719 1.00 0.00 H new ATOM 0 HG12 VAL A 49 17.611 9.154 4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 49 19.108 9.074 3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 49 19.614 12.134 3.352 1.00 0.00 H new ATOM 0 HG22 VAL A 49 19.751 11.152 1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 49 18.666 12.562 1.908 1.00 0.00 H new ATOM 745 N ALA A 50 14.924 10.203 2.742 1.00 0.00 N ATOM 746 CA ALA A 50 13.692 9.582 3.197 1.00 0.00 C ATOM 747 C ALA A 50 13.222 8.566 2.153 1.00 0.00 C ATOM 748 O ALA A 50 12.692 7.513 2.502 1.00 0.00 O ATOM 749 CB ALA A 50 12.645 10.665 3.468 1.00 0.00 C ATOM 0 H ALA A 50 14.954 11.217 2.846 1.00 0.00 H new ATOM 0 HA ALA A 50 13.855 9.044 4.131 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.720 10.200 3.809 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.015 11.344 4.236 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.453 11.223 2.552 1.00 0.00 H new ATOM 755 N VAL A 51 13.435 8.919 0.894 1.00 0.00 N ATOM 756 CA VAL A 51 13.040 8.050 -0.203 1.00 0.00 C ATOM 757 C VAL A 51 13.956 6.825 -0.232 1.00 0.00 C ATOM 758 O VAL A 51 13.486 5.697 -0.373 1.00 0.00 O ATOM 759 CB VAL A 51 13.045 8.833 -1.517 1.00 0.00 C ATOM 760 CG1 VAL A 51 12.984 7.887 -2.718 1.00 0.00 C ATOM 761 CG2 VAL A 51 11.899 9.845 -1.557 1.00 0.00 C ATOM 0 H VAL A 51 13.875 9.794 0.609 1.00 0.00 H new ATOM 0 HA VAL A 51 12.021 7.690 -0.059 1.00 0.00 H new ATOM 0 HB VAL A 51 13.982 9.387 -1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.989 8.469 -3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.849 7.224 -2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.071 7.294 -2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.926 10.388 -2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.948 9.321 -1.467 1.00 0.00 H new ATOM 0 HG23 VAL A 51 12.006 10.548 -0.731 1.00 0.00 H new ATOM 771 N GLU A 52 15.248 7.088 -0.098 1.00 0.00 N ATOM 772 CA GLU A 52 16.234 6.021 -0.107 1.00 0.00 C ATOM 773 C GLU A 52 16.045 5.113 1.109 1.00 0.00 C ATOM 774 O GLU A 52 16.194 3.896 1.009 1.00 0.00 O ATOM 775 CB GLU A 52 17.654 6.588 -0.153 1.00 0.00 C ATOM 776 CG GLU A 52 18.326 6.494 1.218 1.00 0.00 C ATOM 777 CD GLU A 52 19.671 7.225 1.221 1.00 0.00 C ATOM 778 OE1 GLU A 52 19.780 8.215 0.466 1.00 0.00 O ATOM 779 OE2 GLU A 52 20.559 6.776 1.978 1.00 0.00 O ATOM 0 H GLU A 52 15.635 8.025 0.017 1.00 0.00 H new ATOM 0 HA GLU A 52 16.087 5.424 -1.007 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.244 6.042 -0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 52 17.624 7.628 -0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.673 6.924 1.977 1.00 0.00 H new ATOM 0 HG3 GLU A 52 18.476 5.447 1.482 1.00 0.00 H new ATOM 786 N GLN A 53 15.719 5.739 2.230 1.00 0.00 N ATOM 787 CA GLN A 53 15.508 5.002 3.465 1.00 0.00 C ATOM 788 C GLN A 53 14.294 4.080 3.332 1.00 0.00 C ATOM 789 O GLN A 53 14.312 2.950 3.817 1.00 0.00 O ATOM 790 CB GLN A 53 15.346 5.954 4.651 1.00 0.00 C ATOM 791 CG GLN A 53 16.648 6.066 5.446 1.00 0.00 C ATOM 792 CD GLN A 53 16.403 5.823 6.937 1.00 0.00 C ATOM 793 OE1 GLN A 53 16.050 4.736 7.365 1.00 0.00 O ATOM 794 NE2 GLN A 53 16.609 6.892 7.701 1.00 0.00 N ATOM 0 H GLN A 53 15.596 6.748 2.309 1.00 0.00 H new ATOM 0 HA GLN A 53 16.388 4.387 3.653 1.00 0.00 H new ATOM 0 HB2 GLN A 53 15.049 6.940 4.293 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.548 5.597 5.302 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.371 5.342 5.070 1.00 0.00 H new ATOM 0 HG3 GLN A 53 17.082 7.055 5.302 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.904 7.772 7.278 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.472 6.832 8.710 1.00 0.00 H new ATOM 803 N PHE A 54 13.268 4.597 2.672 1.00 0.00 N ATOM 804 CA PHE A 54 12.048 3.835 2.469 1.00 0.00 C ATOM 805 C PHE A 54 12.309 2.603 1.600 1.00 0.00 C ATOM 806 O PHE A 54 11.913 1.493 1.955 1.00 0.00 O ATOM 807 CB PHE A 54 11.061 4.754 1.746 1.00 0.00 C ATOM 808 CG PHE A 54 9.619 4.243 1.748 1.00 0.00 C ATOM 809 CD1 PHE A 54 8.859 4.356 2.870 1.00 0.00 C ATOM 810 CD2 PHE A 54 9.096 3.676 0.628 1.00 0.00 C ATOM 811 CE1 PHE A 54 7.521 3.882 2.872 1.00 0.00 C ATOM 812 CE2 PHE A 54 7.758 3.202 0.629 1.00 0.00 C ATOM 813 CZ PHE A 54 6.998 3.315 1.752 1.00 0.00 C ATOM 0 H PHE A 54 13.257 5.535 2.271 1.00 0.00 H new ATOM 0 HA PHE A 54 11.659 3.494 3.428 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.087 5.738 2.214 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.389 4.882 0.714 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.274 4.806 3.760 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.699 3.586 -0.263 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.918 3.972 3.763 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.343 2.752 -0.261 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.980 2.955 1.754 1.00 0.00 H new ATOM 823 N CYS A 55 12.974 2.839 0.479 1.00 0.00 N ATOM 824 CA CYS A 55 13.292 1.763 -0.444 1.00 0.00 C ATOM 825 C CYS A 55 14.156 0.738 0.294 1.00 0.00 C ATOM 826 O CYS A 55 13.885 -0.461 0.241 1.00 0.00 O ATOM 827 CB CYS A 55 13.980 2.285 -1.707 1.00 0.00 C ATOM 828 SG CYS A 55 14.709 0.892 -2.644 1.00 0.00 S ATOM 0 H CYS A 55 13.302 3.760 0.189 1.00 0.00 H new ATOM 0 HA CYS A 55 12.372 1.286 -0.782 1.00 0.00 H new ATOM 0 HB2 CYS A 55 13.260 2.816 -2.330 1.00 0.00 H new ATOM 0 HB3 CYS A 55 14.758 3.000 -1.438 1.00 0.00 H new ATOM 0 HG CYS A 55 15.289 1.346 -3.715 1.00 0.00 H new ATOM 834 N ALA A 56 15.179 1.248 0.965 1.00 0.00 N ATOM 835 CA ALA A 56 16.084 0.392 1.713 1.00 0.00 C ATOM 836 C ALA A 56 15.272 -0.535 2.620 1.00 0.00 C ATOM 837 O ALA A 56 15.749 -1.596 3.016 1.00 0.00 O ATOM 838 CB ALA A 56 17.073 1.256 2.498 1.00 0.00 C ATOM 0 H ALA A 56 15.401 2.243 1.006 1.00 0.00 H new ATOM 0 HA ALA A 56 16.664 -0.235 1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.752 0.614 3.059 1.00 0.00 H new ATOM 0 HB2 ALA A 56 17.646 1.873 1.806 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.527 1.898 3.189 1.00 0.00 H new ATOM 844 N GLU A 57 14.057 -0.099 2.921 1.00 0.00 N ATOM 845 CA GLU A 57 13.174 -0.876 3.774 1.00 0.00 C ATOM 846 C GLU A 57 12.226 -1.724 2.923 1.00 0.00 C ATOM 847 O GLU A 57 12.376 -2.942 2.848 1.00 0.00 O ATOM 848 CB GLU A 57 12.392 0.032 4.726 1.00 0.00 C ATOM 849 CG GLU A 57 12.690 -0.318 6.185 1.00 0.00 C ATOM 850 CD GLU A 57 11.685 -1.340 6.720 1.00 0.00 C ATOM 851 OE1 GLU A 57 11.224 -2.164 5.901 1.00 0.00 O ATOM 852 OE2 GLU A 57 11.401 -1.274 7.935 1.00 0.00 O ATOM 0 H GLU A 57 13.664 0.782 2.589 1.00 0.00 H new ATOM 0 HA GLU A 57 13.783 -1.545 4.382 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.653 1.073 4.537 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.324 -0.069 4.535 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.700 -0.719 6.268 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.655 0.585 6.794 1.00 0.00 H new ATOM 859 N THR A 58 11.270 -1.045 2.304 1.00 0.00 N ATOM 860 CA THR A 58 10.298 -1.721 1.462 1.00 0.00 C ATOM 861 C THR A 58 10.981 -2.307 0.224 1.00 0.00 C ATOM 862 O THR A 58 10.841 -3.496 -0.062 1.00 0.00 O ATOM 863 CB THR A 58 9.188 -0.723 1.128 1.00 0.00 C ATOM 864 OG1 THR A 58 9.874 0.512 0.948 1.00 0.00 O ATOM 865 CG2 THR A 58 8.257 -0.464 2.315 1.00 0.00 C ATOM 0 H THR A 58 11.148 -0.034 2.369 1.00 0.00 H new ATOM 0 HA THR A 58 9.848 -2.569 1.979 1.00 0.00 H new ATOM 0 HB THR A 58 8.606 -1.096 0.285 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.223 1.242 0.884 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.487 0.251 2.025 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.787 -1.399 2.620 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.833 -0.059 3.147 1.00 0.00 H new ATOM 873 N GLY A 59 11.704 -1.447 -0.477 1.00 0.00 N ATOM 874 CA GLY A 59 12.409 -1.864 -1.677 1.00 0.00 C ATOM 875 C GLY A 59 11.766 -1.262 -2.928 1.00 0.00 C ATOM 876 O GLY A 59 12.123 -1.621 -4.048 1.00 0.00 O ATOM 0 H GLY A 59 11.817 -0.462 -0.237 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.453 -1.555 -1.616 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.402 -2.952 -1.748 1.00 0.00 H new ATOM 880 N VAL A 60 10.829 -0.355 -2.694 1.00 0.00 N ATOM 881 CA VAL A 60 10.133 0.301 -3.788 1.00 0.00 C ATOM 882 C VAL A 60 11.084 1.283 -4.475 1.00 0.00 C ATOM 883 O VAL A 60 11.900 1.927 -3.817 1.00 0.00 O ATOM 884 CB VAL A 60 8.856 0.968 -3.271 1.00 0.00 C ATOM 885 CG1 VAL A 60 8.148 1.737 -4.389 1.00 0.00 C ATOM 886 CG2 VAL A 60 7.920 -0.061 -2.635 1.00 0.00 C ATOM 0 H VAL A 60 10.536 -0.059 -1.763 1.00 0.00 H new ATOM 0 HA VAL A 60 9.823 -0.429 -4.536 1.00 0.00 H new ATOM 0 HB VAL A 60 9.140 1.684 -2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.244 2.201 -3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.813 2.509 -4.777 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.882 1.049 -5.192 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.020 0.439 -2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.647 -0.812 -3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.425 -0.544 -1.799 1.00 0.00 H new ATOM 896 N ARG A 61 10.946 1.368 -5.791 1.00 0.00 N ATOM 897 CA ARG A 61 11.783 2.261 -6.574 1.00 0.00 C ATOM 898 C ARG A 61 11.206 3.678 -6.560 1.00 0.00 C ATOM 899 O ARG A 61 10.008 3.866 -6.767 1.00 0.00 O ATOM 900 CB ARG A 61 11.898 1.778 -8.022 1.00 0.00 C ATOM 901 CG ARG A 61 12.648 0.447 -8.099 1.00 0.00 C ATOM 902 CD ARG A 61 13.420 0.328 -9.414 1.00 0.00 C ATOM 903 NE ARG A 61 14.470 -0.708 -9.292 1.00 0.00 N ATOM 904 CZ ARG A 61 15.169 -1.194 -10.326 1.00 0.00 C ATOM 905 NH1 ARG A 61 14.934 -0.742 -11.566 1.00 0.00 N ATOM 906 NH2 ARG A 61 16.104 -2.133 -10.121 1.00 0.00 N ATOM 0 H ARG A 61 10.268 0.833 -6.334 1.00 0.00 H new ATOM 0 HA ARG A 61 12.776 2.266 -6.124 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.902 1.664 -8.451 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.418 2.527 -8.619 1.00 0.00 H new ATOM 0 HG2 ARG A 61 13.338 0.365 -7.259 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.941 -0.378 -8.012 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.737 0.072 -10.224 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.871 1.287 -9.668 1.00 0.00 H new ATOM 0 HE ARG A 61 14.674 -1.075 -8.362 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.223 -0.028 -11.722 1.00 0.00 H new ATOM 0 HH12 ARG A 61 15.466 -1.112 -12.353 1.00 0.00 H new ATOM 0 HH21 ARG A 61 16.283 -2.477 -9.178 1.00 0.00 H new ATOM 0 HH22 ARG A 61 16.636 -2.503 -10.908 1.00 0.00 H new ATOM 920 N ARG A 62 12.085 4.638 -6.314 1.00 0.00 N ATOM 921 CA ARG A 62 11.679 6.032 -6.270 1.00 0.00 C ATOM 922 C ARG A 62 10.623 6.311 -7.343 1.00 0.00 C ATOM 923 O ARG A 62 9.592 6.918 -7.060 1.00 0.00 O ATOM 924 CB ARG A 62 12.874 6.962 -6.487 1.00 0.00 C ATOM 925 CG ARG A 62 12.433 8.427 -6.505 1.00 0.00 C ATOM 926 CD ARG A 62 13.136 9.197 -7.625 1.00 0.00 C ATOM 927 NE ARG A 62 12.136 9.727 -8.578 1.00 0.00 N ATOM 928 CZ ARG A 62 12.444 10.440 -9.671 1.00 0.00 C ATOM 929 NH1 ARG A 62 13.725 10.713 -9.954 1.00 0.00 N ATOM 930 NH2 ARG A 62 11.470 10.881 -10.479 1.00 0.00 N ATOM 0 H ARG A 62 13.078 4.478 -6.143 1.00 0.00 H new ATOM 0 HA ARG A 62 11.259 6.224 -5.282 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.607 6.809 -5.695 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.365 6.715 -7.428 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.353 8.484 -6.642 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.657 8.890 -5.544 1.00 0.00 H new ATOM 0 HD2 ARG A 62 13.719 10.016 -7.204 1.00 0.00 H new ATOM 0 HD3 ARG A 62 13.835 8.542 -8.145 1.00 0.00 H new ATOM 0 HE ARG A 62 11.151 9.538 -8.392 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.466 10.378 -9.338 1.00 0.00 H new ATOM 0 HH12 ARG A 62 13.959 11.255 -10.785 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.495 10.674 -10.262 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.704 11.423 -11.311 1.00 0.00 H new ATOM 944 N GLN A 63 10.918 5.854 -8.551 1.00 0.00 N ATOM 945 CA GLN A 63 10.008 6.046 -9.666 1.00 0.00 C ATOM 946 C GLN A 63 8.670 5.360 -9.385 1.00 0.00 C ATOM 947 O GLN A 63 7.610 5.949 -9.589 1.00 0.00 O ATOM 948 CB GLN A 63 10.622 5.535 -10.971 1.00 0.00 C ATOM 949 CG GLN A 63 10.358 4.038 -11.151 1.00 0.00 C ATOM 950 CD GLN A 63 10.960 3.530 -12.463 1.00 0.00 C ATOM 951 OE1 GLN A 63 10.913 4.183 -13.492 1.00 0.00 O ATOM 952 NE2 GLN A 63 11.527 2.330 -12.369 1.00 0.00 N ATOM 0 H GLN A 63 11.775 5.351 -8.782 1.00 0.00 H new ATOM 0 HA GLN A 63 9.829 7.115 -9.781 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.204 6.086 -11.814 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.696 5.721 -10.969 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.784 3.486 -10.313 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.284 3.851 -11.143 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.532 1.837 -11.476 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.957 1.903 -13.190 1.00 0.00 H new ATOM 961 N VAL A 64 8.762 4.123 -8.919 1.00 0.00 N ATOM 962 CA VAL A 64 7.572 3.349 -8.607 1.00 0.00 C ATOM 963 C VAL A 64 6.831 4.010 -7.443 1.00 0.00 C ATOM 964 O VAL A 64 5.614 4.182 -7.495 1.00 0.00 O ATOM 965 CB VAL A 64 7.953 1.894 -8.325 1.00 0.00 C ATOM 966 CG1 VAL A 64 6.711 1.050 -8.030 1.00 0.00 C ATOM 967 CG2 VAL A 64 8.755 1.303 -9.485 1.00 0.00 C ATOM 0 H VAL A 64 9.643 3.637 -8.750 1.00 0.00 H new ATOM 0 HA VAL A 64 6.892 3.333 -9.459 1.00 0.00 H new ATOM 0 HB VAL A 64 8.587 1.879 -7.438 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.009 0.020 -7.833 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.197 1.452 -7.157 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.041 1.076 -8.889 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.013 0.268 -9.259 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.157 1.337 -10.396 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.668 1.882 -9.628 1.00 0.00 H new ATOM 977 N LEU A 65 7.596 4.362 -6.419 1.00 0.00 N ATOM 978 CA LEU A 65 7.027 4.999 -5.244 1.00 0.00 C ATOM 979 C LEU A 65 6.409 6.340 -5.646 1.00 0.00 C ATOM 980 O LEU A 65 5.247 6.608 -5.344 1.00 0.00 O ATOM 981 CB LEU A 65 8.075 5.112 -4.135 1.00 0.00 C ATOM 982 CG LEU A 65 7.761 6.105 -3.015 1.00 0.00 C ATOM 983 CD1 LEU A 65 6.559 5.640 -2.190 1.00 0.00 C ATOM 984 CD2 LEU A 65 8.993 6.355 -2.142 1.00 0.00 C ATOM 0 H LEU A 65 8.605 4.218 -6.379 1.00 0.00 H new ATOM 0 HA LEU A 65 6.224 4.389 -4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.213 4.126 -3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.026 5.394 -4.588 1.00 0.00 H new ATOM 0 HG LEU A 65 7.490 7.058 -3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.357 6.364 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.685 5.555 -2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.777 4.669 -1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.742 7.065 -1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.319 5.416 -1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.797 6.763 -2.755 1.00 0.00 H new ATOM 996 N LYS A 66 7.215 7.148 -6.320 1.00 0.00 N ATOM 997 CA LYS A 66 6.762 8.455 -6.766 1.00 0.00 C ATOM 998 C LYS A 66 5.508 8.289 -7.626 1.00 0.00 C ATOM 999 O LYS A 66 4.485 8.922 -7.368 1.00 0.00 O ATOM 1000 CB LYS A 66 7.896 9.203 -7.470 1.00 0.00 C ATOM 1001 CG LYS A 66 7.471 10.627 -7.833 1.00 0.00 C ATOM 1002 CD LYS A 66 7.074 10.722 -9.308 1.00 0.00 C ATOM 1003 CE LYS A 66 8.090 11.551 -10.097 1.00 0.00 C ATOM 1004 NZ LYS A 66 7.520 12.872 -10.446 1.00 0.00 N ATOM 0 H LYS A 66 8.178 6.923 -6.568 1.00 0.00 H new ATOM 0 HA LYS A 66 6.484 9.074 -5.913 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.772 9.235 -6.823 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.186 8.665 -8.373 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.632 10.931 -7.207 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.289 11.318 -7.628 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.006 9.721 -9.735 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.086 11.174 -9.394 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.997 11.684 -9.507 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.375 11.020 -11.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.222 13.422 -10.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.668 12.740 -11.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.270 13.383 -9.575 1.00 0.00 H new ATOM 1018 N ILE A 67 5.627 7.434 -8.632 1.00 0.00 N ATOM 1019 CA ILE A 67 4.515 7.178 -9.531 1.00 0.00 C ATOM 1020 C ILE A 67 3.344 6.597 -8.736 1.00 0.00 C ATOM 1021 O ILE A 67 2.190 6.942 -8.982 1.00 0.00 O ATOM 1022 CB ILE A 67 4.963 6.296 -10.699 1.00 0.00 C ATOM 1023 CG1 ILE A 67 6.106 6.953 -11.476 1.00 0.00 C ATOM 1024 CG2 ILE A 67 3.782 5.944 -11.605 1.00 0.00 C ATOM 1025 CD1 ILE A 67 6.977 5.901 -12.165 1.00 0.00 C ATOM 0 H ILE A 67 6.476 6.910 -8.844 1.00 0.00 H new ATOM 0 HA ILE A 67 4.166 8.108 -9.979 1.00 0.00 H new ATOM 0 HB ILE A 67 5.347 5.360 -10.292 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.698 7.637 -12.220 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.717 7.548 -10.797 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.128 5.317 -12.427 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.030 5.405 -11.029 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.346 6.859 -12.006 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.781 6.395 -12.710 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.403 5.234 -11.416 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.368 5.324 -12.861 1.00 0.00 H new ATOM 1037 N TRP A 68 3.683 5.725 -7.797 1.00 0.00 N ATOM 1038 CA TRP A 68 2.675 5.093 -6.964 1.00 0.00 C ATOM 1039 C TRP A 68 1.798 6.194 -6.365 1.00 0.00 C ATOM 1040 O TRP A 68 0.572 6.120 -6.427 1.00 0.00 O ATOM 1041 CB TRP A 68 3.321 4.199 -5.904 1.00 0.00 C ATOM 1042 CG TRP A 68 2.324 3.570 -4.928 1.00 0.00 C ATOM 1043 CD1 TRP A 68 1.761 2.356 -4.992 1.00 0.00 C ATOM 1044 CD2 TRP A 68 1.791 4.178 -3.732 1.00 0.00 C ATOM 1045 NE1 TRP A 68 0.909 2.137 -3.929 1.00 0.00 N ATOM 1046 CE2 TRP A 68 0.928 3.280 -3.139 1.00 0.00 C ATOM 1047 CE3 TRP A 68 2.032 5.444 -3.170 1.00 0.00 C ATOM 1048 CZ2 TRP A 68 0.235 3.552 -1.953 1.00 0.00 C ATOM 1049 CZ3 TRP A 68 1.332 5.701 -1.986 1.00 0.00 C ATOM 1050 CH2 TRP A 68 0.458 4.808 -1.376 1.00 0.00 C ATOM 0 H TRP A 68 4.642 5.442 -7.595 1.00 0.00 H new ATOM 0 HA TRP A 68 2.045 4.431 -7.557 1.00 0.00 H new ATOM 0 HB2 TRP A 68 3.876 3.404 -6.403 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.045 4.787 -5.339 1.00 0.00 H new ATOM 0 HD1 TRP A 68 1.950 1.639 -5.777 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.365 1.292 -3.755 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.704 6.161 -3.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.435 2.832 -1.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 1.481 6.660 -1.513 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.047 5.082 -0.461 1.00 0.00 H new ATOM 1061 N MET A 69 2.462 7.191 -5.797 1.00 0.00 N ATOM 1062 CA MET A 69 1.759 8.307 -5.187 1.00 0.00 C ATOM 1063 C MET A 69 0.960 9.088 -6.232 1.00 0.00 C ATOM 1064 O MET A 69 -0.234 9.329 -6.054 1.00 0.00 O ATOM 1065 CB MET A 69 2.767 9.239 -4.513 1.00 0.00 C ATOM 1066 CG MET A 69 3.388 8.576 -3.281 1.00 0.00 C ATOM 1067 SD MET A 69 4.021 9.823 -2.172 1.00 0.00 S ATOM 1068 CE MET A 69 5.691 9.965 -2.784 1.00 0.00 C ATOM 0 H MET A 69 3.479 7.249 -5.747 1.00 0.00 H new ATOM 0 HA MET A 69 1.064 7.913 -4.446 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.551 9.505 -5.221 1.00 0.00 H new ATOM 0 HB3 MET A 69 2.273 10.166 -4.221 1.00 0.00 H new ATOM 0 HG2 MET A 69 2.642 7.968 -2.770 1.00 0.00 H new ATOM 0 HG3 MET A 69 4.192 7.906 -3.585 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.330 10.382 -2.005 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.060 8.979 -3.067 1.00 0.00 H new ATOM 0 HE3 MET A 69 5.705 10.621 -3.654 1.00 0.00 H new ATOM 1078 N HIS A 70 1.649 9.463 -7.299 1.00 0.00 N ATOM 1079 CA HIS A 70 1.019 10.213 -8.372 1.00 0.00 C ATOM 1080 C HIS A 70 -0.271 9.510 -8.800 1.00 0.00 C ATOM 1081 O HIS A 70 -1.290 10.160 -9.030 1.00 0.00 O ATOM 1082 CB HIS A 70 1.993 10.423 -9.533 1.00 0.00 C ATOM 1083 CG HIS A 70 1.637 11.585 -10.430 1.00 0.00 C ATOM 1084 ND1 HIS A 70 1.814 12.905 -10.053 1.00 0.00 N ATOM 1085 CD2 HIS A 70 1.115 11.611 -11.690 1.00 0.00 C ATOM 1086 CE1 HIS A 70 1.412 13.681 -11.049 1.00 0.00 C ATOM 1087 NE2 HIS A 70 0.979 12.878 -12.062 1.00 0.00 N ATOM 0 H HIS A 70 2.638 9.261 -7.444 1.00 0.00 H new ATOM 0 HA HIS A 70 0.749 11.207 -8.016 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.994 10.581 -9.131 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.030 9.513 -10.132 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.856 10.747 -12.284 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.425 14.761 -11.057 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.611 13.198 -12.958 1.00 0.00 H new ATOM 1095 N ASN A 71 -0.185 8.191 -8.895 1.00 0.00 N ATOM 1096 CA ASN A 71 -1.333 7.393 -9.291 1.00 0.00 C ATOM 1097 C ASN A 71 -2.375 7.415 -8.171 1.00 0.00 C ATOM 1098 O ASN A 71 -3.569 7.267 -8.427 1.00 0.00 O ATOM 1099 CB ASN A 71 -0.932 5.937 -9.536 1.00 0.00 C ATOM 1100 CG ASN A 71 -0.407 5.745 -10.960 1.00 0.00 C ATOM 1101 OD1 ASN A 71 -0.905 4.940 -11.730 1.00 0.00 O ATOM 1102 ND2 ASN A 71 0.624 6.527 -11.266 1.00 0.00 N ATOM 0 H ASN A 71 0.662 7.655 -8.705 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.737 7.816 -10.211 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.166 5.642 -8.819 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.791 5.287 -9.371 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.047 6.474 -12.193 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.992 7.179 -10.574 1.00 0.00 H new ATOM 1109 N ASN A 72 -1.885 7.601 -6.954 1.00 0.00 N ATOM 1110 CA ASN A 72 -2.760 7.644 -5.794 1.00 0.00 C ATOM 1111 C ASN A 72 -3.447 9.009 -5.730 1.00 0.00 C ATOM 1112 O ASN A 72 -4.635 9.125 -6.025 1.00 0.00 O ATOM 1113 CB ASN A 72 -1.967 7.451 -4.500 1.00 0.00 C ATOM 1114 CG ASN A 72 -1.946 5.979 -4.084 1.00 0.00 C ATOM 1115 OD1 ASN A 72 -2.793 5.503 -3.347 1.00 0.00 O ATOM 1116 ND2 ASN A 72 -0.932 5.287 -4.596 1.00 0.00 N ATOM 0 H ASN A 72 -0.894 7.724 -6.746 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.491 6.841 -5.892 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -0.946 7.808 -4.638 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.410 8.051 -3.705 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.829 4.296 -4.378 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.257 5.747 -5.207 1.00 0.00 H new ATOM 1123 N LYS A 73 -2.670 10.009 -5.341 1.00 0.00 N ATOM 1124 CA LYS A 73 -3.188 11.362 -5.234 1.00 0.00 C ATOM 1125 C LYS A 73 -4.028 11.681 -6.472 1.00 0.00 C ATOM 1126 O LYS A 73 -3.709 11.238 -7.574 1.00 0.00 O ATOM 1127 CB LYS A 73 -2.050 12.355 -4.991 1.00 0.00 C ATOM 1128 CG LYS A 73 -1.210 12.546 -6.255 1.00 0.00 C ATOM 1129 CD LYS A 73 -0.729 13.993 -6.380 1.00 0.00 C ATOM 1130 CE LYS A 73 0.652 14.169 -5.745 1.00 0.00 C ATOM 1131 NZ LYS A 73 1.459 15.139 -6.519 1.00 0.00 N ATOM 0 H LYS A 73 -1.685 9.909 -5.096 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.846 11.450 -4.370 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.461 13.314 -4.675 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.416 11.996 -4.180 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.352 11.875 -6.231 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.800 12.278 -7.132 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.688 14.277 -7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.443 14.660 -5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.545 14.515 -4.717 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.166 13.209 -5.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.393 15.247 -6.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.577 14.794 -7.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.975 16.059 -6.534 1.00 0.00 H new ATOM 1145 N ASN A 74 -5.086 12.448 -6.249 1.00 0.00 N ATOM 1146 CA ASN A 74 -5.974 12.832 -7.333 1.00 0.00 C ATOM 1147 C ASN A 74 -7.203 13.537 -6.755 1.00 0.00 C ATOM 1148 O ASN A 74 -7.326 13.680 -5.540 1.00 0.00 O ATOM 1149 CB ASN A 74 -6.455 11.605 -8.111 1.00 0.00 C ATOM 1150 CG ASN A 74 -6.225 11.783 -9.613 1.00 0.00 C ATOM 1151 OD1 ASN A 74 -7.140 12.020 -10.384 1.00 0.00 O ATOM 1152 ND2 ASN A 74 -4.954 11.657 -9.984 1.00 0.00 N ATOM 0 H ASN A 74 -5.348 12.814 -5.333 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.423 13.491 -8.003 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -5.927 10.718 -7.761 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.515 11.441 -7.919 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.697 11.759 -10.966 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.237 11.458 -9.287 1.00 0.00 H new ATOM 1159 N SER A 75 -8.081 13.958 -7.653 1.00 0.00 N ATOM 1160 CA SER A 75 -9.295 14.645 -7.248 1.00 0.00 C ATOM 1161 C SER A 75 -10.061 15.126 -8.481 1.00 0.00 C ATOM 1162 O SER A 75 -9.679 14.824 -9.611 1.00 0.00 O ATOM 1163 CB SER A 75 -8.979 15.824 -6.325 1.00 0.00 C ATOM 1164 OG SER A 75 -9.404 15.583 -4.986 1.00 0.00 O ATOM 0 H SER A 75 -7.976 13.836 -8.660 1.00 0.00 H new ATOM 0 HA SER A 75 -9.917 13.942 -6.694 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.906 16.015 -6.336 1.00 0.00 H new ATOM 0 HB3 SER A 75 -9.467 16.722 -6.704 1.00 0.00 H new ATOM 0 HG SER A 75 -8.876 14.852 -4.602 1.00 0.00 H new ATOM 1170 N GLY A 76 -11.129 15.867 -8.224 1.00 0.00 N ATOM 1171 CA GLY A 76 -11.952 16.393 -9.299 1.00 0.00 C ATOM 1172 C GLY A 76 -12.082 15.378 -10.437 1.00 0.00 C ATOM 1173 O GLY A 76 -11.246 15.340 -11.338 1.00 0.00 O ATOM 0 H GLY A 76 -11.443 16.116 -7.286 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.941 16.643 -8.915 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.514 17.316 -9.679 1.00 0.00 H new ATOM 1177 N PRO A 77 -13.165 14.560 -10.356 1.00 0.00 N ATOM 1178 CA PRO A 77 -13.415 13.548 -11.368 1.00 0.00 C ATOM 1179 C PRO A 77 -13.945 14.180 -12.657 1.00 0.00 C ATOM 1180 O PRO A 77 -13.395 13.956 -13.734 1.00 0.00 O ATOM 1181 CB PRO A 77 -14.404 12.587 -10.728 1.00 0.00 C ATOM 1182 CG PRO A 77 -15.025 13.342 -9.564 1.00 0.00 C ATOM 1183 CD PRO A 77 -14.177 14.577 -9.304 1.00 0.00 C ATOM 0 HA PRO A 77 -12.509 13.023 -11.670 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -15.166 12.277 -11.443 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -13.903 11.682 -10.384 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -16.051 13.626 -9.797 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -15.063 12.711 -8.676 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -14.777 15.486 -9.347 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -13.720 14.543 -8.315 1.00 0.00 H new ATOM 1191 N SER A 78 -15.008 14.957 -12.504 1.00 0.00 N ATOM 1192 CA SER A 78 -15.618 15.623 -13.642 1.00 0.00 C ATOM 1193 C SER A 78 -14.966 16.990 -13.859 1.00 0.00 C ATOM 1194 O SER A 78 -14.694 17.712 -12.901 1.00 0.00 O ATOM 1195 CB SER A 78 -17.127 15.780 -13.444 1.00 0.00 C ATOM 1196 OG SER A 78 -17.866 15.270 -14.551 1.00 0.00 O ATOM 0 H SER A 78 -15.462 15.140 -11.609 1.00 0.00 H new ATOM 0 HA SER A 78 -15.457 15.006 -14.526 1.00 0.00 H new ATOM 0 HB2 SER A 78 -17.430 15.260 -12.535 1.00 0.00 H new ATOM 0 HB3 SER A 78 -17.367 16.834 -13.303 1.00 0.00 H new ATOM 0 HG SER A 78 -18.825 15.387 -14.386 1.00 0.00 H new ATOM 1202 N SER A 79 -14.735 17.305 -15.125 1.00 0.00 N ATOM 1203 CA SER A 79 -14.120 18.572 -15.481 1.00 0.00 C ATOM 1204 C SER A 79 -13.842 18.616 -16.985 1.00 0.00 C ATOM 1205 O SER A 79 -14.036 19.647 -17.626 1.00 0.00 O ATOM 1206 CB SER A 79 -12.826 18.797 -14.695 1.00 0.00 C ATOM 1207 OG SER A 79 -11.978 17.652 -14.726 1.00 0.00 O ATOM 0 H SER A 79 -14.963 16.704 -15.917 1.00 0.00 H new ATOM 0 HA SER A 79 -14.814 19.372 -15.223 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.294 19.654 -15.109 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.068 19.042 -13.661 1.00 0.00 H new ATOM 0 HG SER A 79 -11.162 17.835 -14.215 1.00 0.00 H new ATOM 1213 N GLY A 80 -13.392 17.483 -17.504 1.00 0.00 N ATOM 1214 CA GLY A 80 -13.085 17.378 -18.920 1.00 0.00 C ATOM 1215 C GLY A 80 -12.471 16.016 -19.249 1.00 0.00 C ATOM 1216 O GLY A 80 -11.743 15.447 -18.438 1.00 0.00 O ATOM 0 H GLY A 80 -13.233 16.629 -16.969 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.994 17.522 -19.504 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.394 18.171 -19.206 1.00 0.00 H new TER 1220 GLY A 80