USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 574 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 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 56 GLN : amide:sc= -0.0165 K(o=-0.017,f=-1.2) USER MOD Set 2.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 15 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 16 ASN : amide:sc= -0.727 K(o=-0.73,f=-6!) USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.0488 (180deg=0) USER MOD Single : A 2 SER OG : rot 32:sc= 0.403 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -4.95! C(o=-5!,f=-9!) USER MOD Single : A 19 THR OG1 : rot 75:sc= 0.00328 USER MOD Single : A 24 LYS NZ :NH3+ -148:sc= -0.119 (180deg=-1.42!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 13:sc= 1.12 USER MOD Single : A 29 GLN : amide:sc= -2.87! X(o=-2.9!,f=-2.5) USER MOD Single : A 30 LYS NZ :NH3+ -141:sc= 0.0792 (180deg=-0.341) USER MOD Single : A 31 TYR OH : rot 30:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0176 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= -0.0404 (180deg=-0.311) USER MOD Single : A 43 MET CE :methyl 125:sc= -0.034 (180deg=-0.875) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 150:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= -0.295 F(o=-0.93,f=-0.29) USER MOD Single : A 53 THR OG1 : rot 86:sc= 0.482 USER MOD Single : A 57 ASN : amide:sc= -0.191 K(o=-0.19,f=-0.98) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 45:sc= 0.595 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.952 -12.888 13.323 1.00 0.00 N ATOM 2 CA GLY A 1 -21.363 -12.707 12.010 1.00 0.00 C ATOM 3 C GLY A 1 -22.340 -12.115 11.013 1.00 0.00 C ATOM 4 O GLY A 1 -23.553 -12.195 11.201 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.608 -12.144 13.963 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.988 -12.831 13.250 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.683 -13.820 13.699 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.493 -12.056 12.092 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.008 -13.668 11.639 1.00 0.00 H new ATOM 8 N SER A 2 -21.809 -11.517 9.950 1.00 0.00 N ATOM 9 CA SER A 2 -22.643 -10.904 8.923 1.00 0.00 C ATOM 10 C SER A 2 -21.900 -10.832 7.592 1.00 0.00 C ATOM 11 O SER A 2 -20.676 -10.953 7.545 1.00 0.00 O ATOM 12 CB SER A 2 -23.074 -9.502 9.356 1.00 0.00 C ATOM 13 OG SER A 2 -24.278 -9.546 10.103 1.00 0.00 O ATOM 0 H SER A 2 -20.806 -11.444 9.778 1.00 0.00 H new ATOM 0 HA SER A 2 -23.530 -11.524 8.791 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.287 -9.045 9.956 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.211 -8.872 8.477 1.00 0.00 H new ATOM 0 HG SER A 2 -24.318 -10.384 10.610 1.00 0.00 H new ATOM 19 N SER A 3 -22.650 -10.634 6.513 1.00 0.00 N ATOM 20 CA SER A 3 -22.064 -10.549 5.180 1.00 0.00 C ATOM 21 C SER A 3 -21.849 -9.094 4.773 1.00 0.00 C ATOM 22 O SER A 3 -22.802 -8.329 4.634 1.00 0.00 O ATOM 23 CB SER A 3 -22.964 -11.248 4.159 1.00 0.00 C ATOM 24 OG SER A 3 -22.302 -11.400 2.916 1.00 0.00 O ATOM 0 H SER A 3 -23.664 -10.529 6.535 1.00 0.00 H new ATOM 0 HA SER A 3 -21.096 -11.049 5.203 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.259 -12.226 4.539 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.878 -10.671 4.020 1.00 0.00 H new ATOM 0 HG SER A 3 -22.897 -11.851 2.281 1.00 0.00 H new ATOM 30 N GLY A 4 -20.587 -8.720 4.585 1.00 0.00 N ATOM 31 CA GLY A 4 -20.267 -7.359 4.196 1.00 0.00 C ATOM 32 C GLY A 4 -18.898 -7.245 3.555 1.00 0.00 C ATOM 33 O GLY A 4 -18.692 -6.430 2.655 1.00 0.00 O ATOM 0 H GLY A 4 -19.781 -9.335 4.695 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.022 -6.997 3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.308 -6.714 5.074 1.00 0.00 H new ATOM 37 N SER A 5 -17.959 -8.063 4.019 1.00 0.00 N ATOM 38 CA SER A 5 -16.601 -8.047 3.489 1.00 0.00 C ATOM 39 C SER A 5 -16.614 -8.009 1.964 1.00 0.00 C ATOM 40 O SER A 5 -17.205 -8.873 1.316 1.00 0.00 O ATOM 41 CB SER A 5 -15.827 -9.275 3.974 1.00 0.00 C ATOM 42 OG SER A 5 -14.443 -9.146 3.698 1.00 0.00 O ATOM 0 H SER A 5 -18.114 -8.745 4.761 1.00 0.00 H new ATOM 0 HA SER A 5 -16.105 -7.147 3.853 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.977 -9.404 5.046 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.216 -10.170 3.488 1.00 0.00 H new ATOM 0 HG SER A 5 -13.970 -9.942 4.019 1.00 0.00 H new ATOM 48 N SER A 6 -15.957 -7.002 1.398 1.00 0.00 N ATOM 49 CA SER A 6 -15.895 -6.848 -0.051 1.00 0.00 C ATOM 50 C SER A 6 -14.455 -6.650 -0.515 1.00 0.00 C ATOM 51 O SER A 6 -13.596 -6.222 0.254 1.00 0.00 O ATOM 52 CB SER A 6 -16.754 -5.664 -0.496 1.00 0.00 C ATOM 53 OG SER A 6 -16.381 -4.478 0.185 1.00 0.00 O ATOM 0 H SER A 6 -15.460 -6.281 1.920 1.00 0.00 H new ATOM 0 HA SER A 6 -16.283 -7.760 -0.506 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.649 -5.518 -1.571 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.805 -5.881 -0.305 1.00 0.00 H new ATOM 0 HG SER A 6 -16.944 -3.736 -0.119 1.00 0.00 H new ATOM 59 N GLY A 7 -14.199 -6.965 -1.782 1.00 0.00 N ATOM 60 CA GLY A 7 -12.863 -6.815 -2.328 1.00 0.00 C ATOM 61 C GLY A 7 -12.864 -6.142 -3.686 1.00 0.00 C ATOM 62 O GLY A 7 -13.508 -6.616 -4.622 1.00 0.00 O ATOM 0 H GLY A 7 -14.893 -7.321 -2.439 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.255 -6.231 -1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.396 -7.796 -2.413 1.00 0.00 H new ATOM 66 N LYS A 8 -12.142 -5.032 -3.795 1.00 0.00 N ATOM 67 CA LYS A 8 -12.061 -4.291 -5.047 1.00 0.00 C ATOM 68 C LYS A 8 -10.632 -3.830 -5.316 1.00 0.00 C ATOM 69 O LYS A 8 -10.081 -3.019 -4.572 1.00 0.00 O ATOM 70 CB LYS A 8 -13.000 -3.082 -5.010 1.00 0.00 C ATOM 71 CG LYS A 8 -13.289 -2.494 -6.380 1.00 0.00 C ATOM 72 CD LYS A 8 -12.090 -1.739 -6.927 1.00 0.00 C ATOM 73 CE LYS A 8 -12.465 -0.899 -8.138 1.00 0.00 C ATOM 74 NZ LYS A 8 -13.020 0.426 -7.744 1.00 0.00 N ATOM 0 H LYS A 8 -11.604 -4.626 -3.030 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.367 -4.957 -5.854 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.941 -3.377 -4.545 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.560 -2.310 -4.378 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.562 -3.293 -7.069 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.145 -1.822 -6.315 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -11.679 -1.095 -6.150 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.308 -2.447 -7.202 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.585 -0.752 -8.765 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.199 -1.436 -8.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.263 0.968 -8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.874 0.287 -7.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.311 0.949 -7.192 1.00 0.00 H new ATOM 88 N GLY A 9 -10.038 -4.351 -6.385 1.00 0.00 N ATOM 89 CA GLY A 9 -8.679 -3.979 -6.733 1.00 0.00 C ATOM 90 C GLY A 9 -8.443 -3.980 -8.230 1.00 0.00 C ATOM 91 O GLY A 9 -9.185 -4.610 -8.982 1.00 0.00 O ATOM 0 H GLY A 9 -10.473 -5.024 -7.016 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.464 -2.987 -6.335 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -7.983 -4.671 -6.258 1.00 0.00 H new ATOM 95 N GLY A 10 -7.406 -3.269 -8.665 1.00 0.00 N ATOM 96 CA GLY A 10 -7.095 -3.202 -10.081 1.00 0.00 C ATOM 97 C GLY A 10 -6.124 -4.283 -10.512 1.00 0.00 C ATOM 98 O GLY A 10 -6.452 -5.121 -11.352 1.00 0.00 O ATOM 0 H GLY A 10 -6.777 -2.739 -8.062 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.016 -3.294 -10.657 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.671 -2.224 -10.311 1.00 0.00 H new ATOM 102 N GLN A 11 -4.925 -4.264 -9.938 1.00 0.00 N ATOM 103 CA GLN A 11 -3.903 -5.249 -10.271 1.00 0.00 C ATOM 104 C GLN A 11 -3.605 -6.149 -9.076 1.00 0.00 C ATOM 105 O GLN A 11 -3.402 -7.354 -9.228 1.00 0.00 O ATOM 106 CB GLN A 11 -2.622 -4.551 -10.730 1.00 0.00 C ATOM 107 CG GLN A 11 -2.071 -3.561 -9.716 1.00 0.00 C ATOM 108 CD GLN A 11 -0.607 -3.241 -9.949 1.00 0.00 C ATOM 109 OE1 GLN A 11 -0.212 -2.856 -11.050 1.00 0.00 O ATOM 110 NE2 GLN A 11 0.206 -3.399 -8.911 1.00 0.00 N ATOM 0 H GLN A 11 -4.638 -3.577 -9.240 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.282 -5.868 -11.084 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.863 -5.304 -10.939 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.819 -4.028 -11.666 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.652 -2.640 -9.761 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.195 -3.968 -8.712 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.165 -3.720 -8.017 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.201 -3.199 -9.008 1.00 0.00 H new ATOM 119 N VAL A 12 -3.579 -5.556 -7.887 1.00 0.00 N ATOM 120 CA VAL A 12 -3.306 -6.304 -6.665 1.00 0.00 C ATOM 121 C VAL A 12 -4.441 -7.272 -6.348 1.00 0.00 C ATOM 122 O VAL A 12 -5.603 -7.002 -6.652 1.00 0.00 O ATOM 123 CB VAL A 12 -3.099 -5.362 -5.464 1.00 0.00 C ATOM 124 CG1 VAL A 12 -2.880 -6.162 -4.189 1.00 0.00 C ATOM 125 CG2 VAL A 12 -1.932 -4.421 -5.721 1.00 0.00 C ATOM 0 H VAL A 12 -3.744 -4.560 -7.744 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.389 -6.867 -6.837 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.999 -4.761 -5.336 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.736 -5.479 -3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.751 -6.790 -3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.997 -6.791 -4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.800 -3.762 -4.863 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.023 -5.002 -5.876 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.136 -3.823 -6.609 1.00 0.00 H new ATOM 135 N ARG A 13 -4.096 -8.400 -5.736 1.00 0.00 N ATOM 136 CA ARG A 13 -5.085 -9.409 -5.378 1.00 0.00 C ATOM 137 C ARG A 13 -4.858 -9.914 -3.957 1.00 0.00 C ATOM 138 O ARG A 13 -3.992 -10.756 -3.717 1.00 0.00 O ATOM 139 CB ARG A 13 -5.030 -10.579 -6.362 1.00 0.00 C ATOM 140 CG ARG A 13 -5.864 -10.362 -7.614 1.00 0.00 C ATOM 141 CD ARG A 13 -5.819 -11.575 -8.530 1.00 0.00 C ATOM 142 NE ARG A 13 -6.473 -12.737 -7.934 1.00 0.00 N ATOM 143 CZ ARG A 13 -6.511 -13.934 -8.508 1.00 0.00 C ATOM 144 NH1 ARG A 13 -5.935 -14.126 -9.687 1.00 0.00 N ATOM 145 NH2 ARG A 13 -7.125 -14.942 -7.903 1.00 0.00 N ATOM 0 H ARG A 13 -3.138 -8.638 -5.478 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.071 -8.948 -5.427 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.993 -10.751 -6.652 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.374 -11.482 -5.859 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.897 -10.155 -7.333 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.497 -9.486 -8.150 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.303 -11.333 -9.476 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.781 -11.820 -8.756 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.925 -12.623 -7.027 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.461 -13.353 -10.155 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.966 -15.046 -10.126 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.569 -14.798 -6.996 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.154 -15.861 -8.345 1.00 0.00 H new ATOM 159 N PHE A 14 -5.640 -9.393 -3.017 1.00 0.00 N ATOM 160 CA PHE A 14 -5.523 -9.790 -1.619 1.00 0.00 C ATOM 161 C PHE A 14 -6.768 -9.390 -0.833 1.00 0.00 C ATOM 162 O PHE A 14 -7.202 -8.239 -0.881 1.00 0.00 O ATOM 163 CB PHE A 14 -4.282 -9.153 -0.988 1.00 0.00 C ATOM 164 CG PHE A 14 -2.990 -9.706 -1.518 1.00 0.00 C ATOM 165 CD1 PHE A 14 -2.647 -11.031 -1.302 1.00 0.00 C ATOM 166 CD2 PHE A 14 -2.118 -8.900 -2.233 1.00 0.00 C ATOM 167 CE1 PHE A 14 -1.458 -11.541 -1.789 1.00 0.00 C ATOM 168 CE2 PHE A 14 -0.928 -9.405 -2.722 1.00 0.00 C ATOM 169 CZ PHE A 14 -0.598 -10.727 -2.500 1.00 0.00 C ATOM 0 H PHE A 14 -6.361 -8.695 -3.198 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.425 -10.875 -1.583 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.307 -8.077 -1.163 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.316 -9.301 0.091 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.316 -11.672 -0.747 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.371 -7.865 -2.410 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.202 -12.575 -1.614 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.257 -8.766 -3.277 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.331 -11.124 -2.882 1.00 0.00 H new ATOM 179 N SER A 15 -7.339 -10.349 -0.111 1.00 0.00 N ATOM 180 CA SER A 15 -8.537 -10.099 0.681 1.00 0.00 C ATOM 181 C SER A 15 -8.277 -9.028 1.736 1.00 0.00 C ATOM 182 O SER A 15 -7.132 -8.764 2.099 1.00 0.00 O ATOM 183 CB SER A 15 -9.009 -11.390 1.353 1.00 0.00 C ATOM 184 OG SER A 15 -10.331 -11.255 1.845 1.00 0.00 O ATOM 0 H SER A 15 -6.991 -11.306 -0.058 1.00 0.00 H new ATOM 0 HA SER A 15 -9.318 -9.741 0.010 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.966 -12.212 0.639 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.337 -11.644 2.173 1.00 0.00 H new ATOM 0 HG SER A 15 -10.610 -12.094 2.268 1.00 0.00 H new ATOM 190 N ASN A 16 -9.350 -8.414 2.225 1.00 0.00 N ATOM 191 CA ASN A 16 -9.239 -7.372 3.238 1.00 0.00 C ATOM 192 C ASN A 16 -8.256 -7.778 4.331 1.00 0.00 C ATOM 193 O ASN A 16 -7.226 -7.131 4.525 1.00 0.00 O ATOM 194 CB ASN A 16 -10.610 -7.081 3.853 1.00 0.00 C ATOM 195 CG ASN A 16 -11.438 -8.337 4.040 1.00 0.00 C ATOM 196 OD1 ASN A 16 -11.706 -9.065 3.084 1.00 0.00 O ATOM 197 ND2 ASN A 16 -11.848 -8.597 5.276 1.00 0.00 N ATOM 0 H ASN A 16 -10.306 -8.621 1.936 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.865 -6.469 2.755 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.476 -6.591 4.817 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.152 -6.384 3.213 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.409 -9.428 5.463 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -11.602 -7.965 6.038 1.00 0.00 H new ATOM 204 N ASP A 17 -8.580 -8.852 5.042 1.00 0.00 N ATOM 205 CA ASP A 17 -7.724 -9.346 6.114 1.00 0.00 C ATOM 206 C ASP A 17 -6.310 -9.605 5.605 1.00 0.00 C ATOM 207 O ASP A 17 -5.339 -9.082 6.152 1.00 0.00 O ATOM 208 CB ASP A 17 -8.308 -10.628 6.712 1.00 0.00 C ATOM 209 CG ASP A 17 -9.481 -10.356 7.632 1.00 0.00 C ATOM 210 OD1 ASP A 17 -10.615 -10.226 7.124 1.00 0.00 O ATOM 211 OD2 ASP A 17 -9.267 -10.271 8.859 1.00 0.00 O ATOM 0 H ASP A 17 -9.429 -9.397 4.895 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.677 -8.581 6.889 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.628 -11.288 5.906 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.530 -11.154 7.266 1.00 0.00 H new ATOM 216 N GLN A 18 -6.202 -10.416 4.558 1.00 0.00 N ATOM 217 CA GLN A 18 -4.906 -10.746 3.977 1.00 0.00 C ATOM 218 C GLN A 18 -4.014 -9.511 3.900 1.00 0.00 C ATOM 219 O GLN A 18 -2.885 -9.515 4.392 1.00 0.00 O ATOM 220 CB GLN A 18 -5.087 -11.347 2.582 1.00 0.00 C ATOM 221 CG GLN A 18 -5.262 -12.857 2.589 1.00 0.00 C ATOM 222 CD GLN A 18 -5.599 -13.411 1.219 1.00 0.00 C ATOM 223 OE1 GLN A 18 -5.557 -12.694 0.219 1.00 0.00 O ATOM 224 NE2 GLN A 18 -5.936 -14.695 1.165 1.00 0.00 N ATOM 0 H GLN A 18 -6.996 -10.857 4.094 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.423 -11.481 4.621 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.957 -10.891 2.109 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.221 -11.093 1.971 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.346 -13.324 2.950 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -6.053 -13.124 3.290 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.958 -15.253 2.019 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.173 -15.123 0.270 1.00 0.00 H new ATOM 233 N THR A 19 -4.528 -8.454 3.279 1.00 0.00 N ATOM 234 CA THR A 19 -3.778 -7.213 3.136 1.00 0.00 C ATOM 235 C THR A 19 -3.386 -6.647 4.496 1.00 0.00 C ATOM 236 O THR A 19 -2.254 -6.205 4.692 1.00 0.00 O ATOM 237 CB THR A 19 -4.588 -6.153 2.366 1.00 0.00 C ATOM 238 OG1 THR A 19 -4.869 -6.618 1.041 1.00 0.00 O ATOM 239 CG2 THR A 19 -3.828 -4.836 2.296 1.00 0.00 C ATOM 0 H THR A 19 -5.461 -8.433 2.867 1.00 0.00 H new ATOM 0 HA THR A 19 -2.877 -7.452 2.572 1.00 0.00 H new ATOM 0 HB THR A 19 -5.524 -5.986 2.898 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.570 -7.302 1.076 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.420 -4.103 1.748 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.641 -4.470 3.305 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.878 -4.991 1.785 1.00 0.00 H new ATOM 247 N ILE A 20 -4.329 -6.664 5.432 1.00 0.00 N ATOM 248 CA ILE A 20 -4.080 -6.154 6.775 1.00 0.00 C ATOM 249 C ILE A 20 -2.849 -6.808 7.392 1.00 0.00 C ATOM 250 O ILE A 20 -1.885 -6.129 7.745 1.00 0.00 O ATOM 251 CB ILE A 20 -5.290 -6.389 7.699 1.00 0.00 C ATOM 252 CG1 ILE A 20 -6.503 -5.602 7.197 1.00 0.00 C ATOM 253 CG2 ILE A 20 -4.950 -5.993 9.128 1.00 0.00 C ATOM 254 CD1 ILE A 20 -7.805 -6.023 7.843 1.00 0.00 C ATOM 0 H ILE A 20 -5.272 -7.025 5.285 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.909 -5.082 6.679 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.538 -7.450 7.686 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.340 -4.541 7.384 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.585 -5.726 6.117 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.815 -6.165 9.769 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.111 -6.593 9.482 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.680 -4.937 9.159 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.622 -5.424 7.440 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.991 -7.077 7.634 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.742 -5.872 8.921 1.00 0.00 H new ATOM 266 N GLU A 21 -2.888 -8.131 7.518 1.00 0.00 N ATOM 267 CA GLU A 21 -1.774 -8.877 8.092 1.00 0.00 C ATOM 268 C GLU A 21 -0.502 -8.667 7.276 1.00 0.00 C ATOM 269 O GLU A 21 0.540 -8.291 7.815 1.00 0.00 O ATOM 270 CB GLU A 21 -2.110 -10.368 8.159 1.00 0.00 C ATOM 271 CG GLU A 21 -2.926 -10.754 9.381 1.00 0.00 C ATOM 272 CD GLU A 21 -2.705 -12.195 9.799 1.00 0.00 C ATOM 273 OE1 GLU A 21 -1.534 -12.587 9.984 1.00 0.00 O ATOM 274 OE2 GLU A 21 -3.704 -12.931 9.940 1.00 0.00 O ATOM 0 H GLU A 21 -3.679 -8.708 7.230 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.603 -8.505 9.102 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.661 -10.648 7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.183 -10.941 8.156 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.666 -10.095 10.210 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.984 -10.599 9.170 1.00 0.00 H new ATOM 281 N LEU A 22 -0.593 -8.913 5.974 1.00 0.00 N ATOM 282 CA LEU A 22 0.550 -8.753 5.083 1.00 0.00 C ATOM 283 C LEU A 22 1.324 -7.480 5.413 1.00 0.00 C ATOM 284 O LEU A 22 2.539 -7.417 5.232 1.00 0.00 O ATOM 285 CB LEU A 22 0.085 -8.716 3.626 1.00 0.00 C ATOM 286 CG LEU A 22 -0.220 -10.071 2.985 1.00 0.00 C ATOM 287 CD1 LEU A 22 -0.976 -9.885 1.678 1.00 0.00 C ATOM 288 CD2 LEU A 22 1.064 -10.853 2.753 1.00 0.00 C ATOM 0 H LEU A 22 -1.447 -9.224 5.512 1.00 0.00 H new ATOM 0 HA LEU A 22 1.212 -9.607 5.226 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.811 -8.098 3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.853 -8.220 3.033 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.850 -10.641 3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.184 -10.859 1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.915 -9.366 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.371 -9.296 0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.827 -11.814 2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.719 -10.288 2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.567 -11.018 3.706 1.00 0.00 H new ATOM 300 N GLU A 23 0.610 -6.470 5.901 1.00 0.00 N ATOM 301 CA GLU A 23 1.231 -5.199 6.258 1.00 0.00 C ATOM 302 C GLU A 23 1.889 -5.283 7.632 1.00 0.00 C ATOM 303 O GLU A 23 3.110 -5.188 7.756 1.00 0.00 O ATOM 304 CB GLU A 23 0.191 -4.077 6.245 1.00 0.00 C ATOM 305 CG GLU A 23 -0.069 -3.504 4.863 1.00 0.00 C ATOM 306 CD GLU A 23 0.913 -2.410 4.490 1.00 0.00 C ATOM 307 OE1 GLU A 23 2.041 -2.419 5.026 1.00 0.00 O ATOM 308 OE2 GLU A 23 0.554 -1.545 3.664 1.00 0.00 O ATOM 0 H GLU A 23 -0.397 -6.507 6.058 1.00 0.00 H new ATOM 0 HA GLU A 23 2.001 -4.979 5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.746 -4.456 6.654 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.525 -3.276 6.904 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.012 -4.305 4.125 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.083 -3.106 4.824 1.00 0.00 H new ATOM 315 N LYS A 24 1.070 -5.460 8.664 1.00 0.00 N ATOM 316 CA LYS A 24 1.570 -5.557 10.030 1.00 0.00 C ATOM 317 C LYS A 24 2.896 -6.309 10.072 1.00 0.00 C ATOM 318 O LYS A 24 3.733 -6.065 10.941 1.00 0.00 O ATOM 319 CB LYS A 24 0.544 -6.261 10.921 1.00 0.00 C ATOM 320 CG LYS A 24 -0.773 -5.513 11.040 1.00 0.00 C ATOM 321 CD LYS A 24 -1.873 -6.405 11.589 1.00 0.00 C ATOM 322 CE LYS A 24 -1.903 -6.382 13.110 1.00 0.00 C ATOM 323 NZ LYS A 24 -0.783 -7.166 13.699 1.00 0.00 N ATOM 0 H LYS A 24 0.057 -5.539 8.580 1.00 0.00 H new ATOM 0 HA LYS A 24 1.734 -4.546 10.403 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.352 -7.257 10.522 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.969 -6.392 11.916 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.644 -4.649 11.692 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.066 -5.133 10.061 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.837 -6.077 11.200 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.721 -7.427 11.243 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.847 -5.351 13.459 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.853 -6.786 13.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.089 -7.585 14.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.506 -7.923 13.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.029 -6.539 13.867 1.00 0.00 H new ATOM 337 N LYS A 25 3.082 -7.224 9.127 1.00 0.00 N ATOM 338 CA LYS A 25 4.308 -8.011 9.053 1.00 0.00 C ATOM 339 C LYS A 25 5.449 -7.187 8.466 1.00 0.00 C ATOM 340 O LYS A 25 6.486 -7.002 9.103 1.00 0.00 O ATOM 341 CB LYS A 25 4.083 -9.266 8.207 1.00 0.00 C ATOM 342 CG LYS A 25 5.193 -10.294 8.337 1.00 0.00 C ATOM 343 CD LYS A 25 5.253 -10.875 9.740 1.00 0.00 C ATOM 344 CE LYS A 25 6.044 -12.174 9.772 1.00 0.00 C ATOM 345 NZ LYS A 25 5.803 -12.939 11.026 1.00 0.00 N ATOM 0 H LYS A 25 2.399 -7.439 8.401 1.00 0.00 H new ATOM 0 HA LYS A 25 4.581 -8.307 10.066 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.138 -9.725 8.498 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.988 -8.976 7.160 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.034 -11.096 7.616 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.149 -9.831 8.093 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.711 -10.152 10.415 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.241 -11.055 10.104 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.770 -12.788 8.914 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.108 -11.954 9.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.360 -13.817 11.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.088 -12.364 11.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.792 -13.171 11.102 1.00 0.00 H new ATOM 359 N PHE A 26 5.250 -6.692 7.249 1.00 0.00 N ATOM 360 CA PHE A 26 6.263 -5.887 6.576 1.00 0.00 C ATOM 361 C PHE A 26 6.833 -4.831 7.519 1.00 0.00 C ATOM 362 O PHE A 26 8.036 -4.575 7.524 1.00 0.00 O ATOM 363 CB PHE A 26 5.669 -5.213 5.337 1.00 0.00 C ATOM 364 CG PHE A 26 6.468 -4.037 4.853 1.00 0.00 C ATOM 365 CD1 PHE A 26 6.297 -2.785 5.422 1.00 0.00 C ATOM 366 CD2 PHE A 26 7.390 -4.183 3.830 1.00 0.00 C ATOM 367 CE1 PHE A 26 7.031 -1.701 4.978 1.00 0.00 C ATOM 368 CE2 PHE A 26 8.127 -3.103 3.381 1.00 0.00 C ATOM 369 CZ PHE A 26 7.948 -1.861 3.957 1.00 0.00 C ATOM 0 H PHE A 26 4.397 -6.834 6.709 1.00 0.00 H new ATOM 0 HA PHE A 26 7.072 -6.549 6.268 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.595 -5.947 4.534 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.655 -4.885 5.563 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.582 -2.655 6.221 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.535 -5.153 3.377 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.888 -0.730 5.429 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.841 -3.231 2.581 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.524 -1.016 3.610 1.00 0.00 H new ATOM 379 N GLU A 27 5.959 -4.222 8.314 1.00 0.00 N ATOM 380 CA GLU A 27 6.375 -3.193 9.260 1.00 0.00 C ATOM 381 C GLU A 27 7.444 -3.727 10.208 1.00 0.00 C ATOM 382 O GLU A 27 8.480 -3.094 10.415 1.00 0.00 O ATOM 383 CB GLU A 27 5.173 -2.689 10.060 1.00 0.00 C ATOM 384 CG GLU A 27 3.956 -2.383 9.204 1.00 0.00 C ATOM 385 CD GLU A 27 4.282 -1.486 8.025 1.00 0.00 C ATOM 386 OE1 GLU A 27 5.161 -0.611 8.170 1.00 0.00 O ATOM 387 OE2 GLU A 27 3.659 -1.661 6.957 1.00 0.00 O ATOM 0 H GLU A 27 4.959 -4.423 8.322 1.00 0.00 H new ATOM 0 HA GLU A 27 6.798 -2.363 8.693 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.904 -3.438 10.805 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.460 -1.788 10.603 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.530 -3.317 8.838 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.194 -1.905 9.820 1.00 0.00 H new ATOM 394 N THR A 28 7.185 -4.897 10.784 1.00 0.00 N ATOM 395 CA THR A 28 8.123 -5.517 11.712 1.00 0.00 C ATOM 396 C THR A 28 9.348 -6.053 10.980 1.00 0.00 C ATOM 397 O THR A 28 10.424 -6.178 11.563 1.00 0.00 O ATOM 398 CB THR A 28 7.462 -6.667 12.494 1.00 0.00 C ATOM 399 OG1 THR A 28 6.827 -7.575 11.587 1.00 0.00 O ATOM 400 CG2 THR A 28 6.438 -6.131 13.483 1.00 0.00 C ATOM 0 H THR A 28 6.333 -5.434 10.624 1.00 0.00 H new ATOM 0 HA THR A 28 8.433 -4.742 12.413 1.00 0.00 H new ATOM 0 HB THR A 28 8.239 -7.193 13.049 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.128 -7.389 10.673 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.985 -6.962 14.023 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.930 -5.463 14.190 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.665 -5.583 12.945 1.00 0.00 H new ATOM 408 N GLN A 29 9.176 -6.367 9.700 1.00 0.00 N ATOM 409 CA GLN A 29 10.269 -6.890 8.889 1.00 0.00 C ATOM 410 C GLN A 29 10.011 -6.648 7.406 1.00 0.00 C ATOM 411 O GLN A 29 9.082 -7.211 6.827 1.00 0.00 O ATOM 412 CB GLN A 29 10.455 -8.386 9.149 1.00 0.00 C ATOM 413 CG GLN A 29 11.890 -8.859 8.980 1.00 0.00 C ATOM 414 CD GLN A 29 12.009 -10.371 8.976 1.00 0.00 C ATOM 415 OE1 GLN A 29 11.320 -11.061 9.728 1.00 0.00 O ATOM 416 NE2 GLN A 29 12.886 -10.893 8.127 1.00 0.00 N ATOM 0 H GLN A 29 8.291 -6.268 9.203 1.00 0.00 H new ATOM 0 HA GLN A 29 11.181 -6.363 9.171 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.123 -8.614 10.162 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.814 -8.947 8.469 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.291 -8.464 8.047 1.00 0.00 H new ATOM 0 HG3 GLN A 29 12.500 -8.452 9.787 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.436 -10.283 7.522 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.010 -11.904 8.079 1.00 0.00 H new ATOM 425 N LYS A 30 10.838 -5.806 6.796 1.00 0.00 N ATOM 426 CA LYS A 30 10.701 -5.490 5.379 1.00 0.00 C ATOM 427 C LYS A 30 10.724 -6.759 4.533 1.00 0.00 C ATOM 428 O LYS A 30 10.030 -6.854 3.520 1.00 0.00 O ATOM 429 CB LYS A 30 11.822 -4.547 4.935 1.00 0.00 C ATOM 430 CG LYS A 30 11.847 -3.232 5.694 1.00 0.00 C ATOM 431 CD LYS A 30 10.793 -2.269 5.175 1.00 0.00 C ATOM 432 CE LYS A 30 10.398 -1.251 6.235 1.00 0.00 C ATOM 433 NZ LYS A 30 9.647 -1.882 7.356 1.00 0.00 N ATOM 0 H LYS A 30 11.611 -5.330 7.261 1.00 0.00 H new ATOM 0 HA LYS A 30 9.740 -4.996 5.234 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.781 -5.050 5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.711 -4.340 3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.679 -3.420 6.755 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.833 -2.777 5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.174 -1.751 4.295 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.912 -2.828 4.859 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.293 -0.766 6.625 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.786 -0.472 5.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.882 -1.247 7.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.241 -2.785 7.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.293 -2.055 8.153 1.00 0.00 H new ATOM 447 N TYR A 31 11.524 -7.731 4.955 1.00 0.00 N ATOM 448 CA TYR A 31 11.638 -8.994 4.236 1.00 0.00 C ATOM 449 C TYR A 31 11.372 -10.176 5.163 1.00 0.00 C ATOM 450 O TYR A 31 11.316 -10.022 6.384 1.00 0.00 O ATOM 451 CB TYR A 31 13.027 -9.125 3.610 1.00 0.00 C ATOM 452 CG TYR A 31 13.235 -8.237 2.404 1.00 0.00 C ATOM 453 CD1 TYR A 31 12.912 -8.679 1.127 1.00 0.00 C ATOM 454 CD2 TYR A 31 13.755 -6.956 2.542 1.00 0.00 C ATOM 455 CE1 TYR A 31 13.100 -7.871 0.023 1.00 0.00 C ATOM 456 CE2 TYR A 31 13.946 -6.141 1.443 1.00 0.00 C ATOM 457 CZ TYR A 31 13.617 -6.603 0.186 1.00 0.00 C ATOM 458 OH TYR A 31 13.807 -5.795 -0.912 1.00 0.00 O ATOM 0 H TYR A 31 12.104 -7.669 5.792 1.00 0.00 H new ATOM 0 HA TYR A 31 10.888 -9.001 3.445 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.779 -8.884 4.362 1.00 0.00 H new ATOM 0 HB3 TYR A 31 13.188 -10.163 3.318 1.00 0.00 H new ATOM 0 HD1 TYR A 31 12.507 -9.671 0.996 1.00 0.00 H new ATOM 0 HD2 TYR A 31 14.014 -6.591 3.525 1.00 0.00 H new ATOM 0 HE1 TYR A 31 12.844 -8.230 -0.963 1.00 0.00 H new ATOM 0 HE2 TYR A 31 14.351 -5.147 1.568 1.00 0.00 H new ATOM 0 HH TYR A 31 13.143 -6.014 -1.598 1.00 0.00 H new ATOM 468 N LEU A 32 11.208 -11.356 4.575 1.00 0.00 N ATOM 469 CA LEU A 32 10.949 -12.566 5.348 1.00 0.00 C ATOM 470 C LEU A 32 11.637 -13.772 4.718 1.00 0.00 C ATOM 471 O LEU A 32 11.430 -14.074 3.542 1.00 0.00 O ATOM 472 CB LEU A 32 9.443 -12.818 5.447 1.00 0.00 C ATOM 473 CG LEU A 32 8.612 -11.689 6.058 1.00 0.00 C ATOM 474 CD1 LEU A 32 7.170 -11.770 5.582 1.00 0.00 C ATOM 475 CD2 LEU A 32 8.678 -11.741 7.577 1.00 0.00 C ATOM 0 H LEU A 32 11.250 -11.501 3.566 1.00 0.00 H new ATOM 0 HA LEU A 32 11.354 -12.422 6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.062 -13.021 4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.284 -13.720 6.038 1.00 0.00 H new ATOM 0 HG LEU A 32 9.029 -10.737 5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.594 -10.959 6.027 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.140 -11.683 4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.741 -12.726 5.881 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.081 -10.930 7.995 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.287 -12.697 7.926 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.713 -11.633 7.900 1.00 0.00 H new ATOM 487 N SER A 33 12.456 -14.459 5.508 1.00 0.00 N ATOM 488 CA SER A 33 13.177 -15.632 5.027 1.00 0.00 C ATOM 489 C SER A 33 12.207 -16.702 4.536 1.00 0.00 C ATOM 490 O SER A 33 11.049 -16.763 4.949 1.00 0.00 O ATOM 491 CB SER A 33 14.064 -16.202 6.136 1.00 0.00 C ATOM 492 OG SER A 33 14.697 -15.165 6.866 1.00 0.00 O ATOM 0 H SER A 33 12.637 -14.224 6.484 1.00 0.00 H new ATOM 0 HA SER A 33 13.805 -15.324 4.191 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.462 -16.811 6.811 1.00 0.00 H new ATOM 0 HB3 SER A 33 14.818 -16.858 5.702 1.00 0.00 H new ATOM 0 HG SER A 33 15.257 -15.555 7.570 1.00 0.00 H new ATOM 498 N PRO A 34 12.690 -17.568 3.632 1.00 0.00 N ATOM 499 CA PRO A 34 11.883 -18.652 3.065 1.00 0.00 C ATOM 500 C PRO A 34 11.137 -19.441 4.135 1.00 0.00 C ATOM 501 O PRO A 34 9.956 -19.760 3.995 1.00 0.00 O ATOM 502 CB PRO A 34 12.920 -19.540 2.372 1.00 0.00 C ATOM 503 CG PRO A 34 14.047 -18.622 2.045 1.00 0.00 C ATOM 504 CD PRO A 34 14.061 -17.554 3.095 1.00 0.00 C ATOM 0 HA PRO A 34 11.108 -18.276 2.397 1.00 0.00 H new ATOM 0 HB2 PRO A 34 13.246 -20.351 3.024 1.00 0.00 H new ATOM 0 HB3 PRO A 34 12.510 -20.000 1.473 1.00 0.00 H new ATOM 0 HG2 PRO A 34 14.993 -19.163 2.032 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.915 -18.187 1.054 1.00 0.00 H new ATOM 0 HD2 PRO A 34 14.796 -17.766 3.871 1.00 0.00 H new ATOM 0 HD3 PRO A 34 14.315 -16.582 2.673 1.00 0.00 H new ATOM 512 N PRO A 35 11.839 -19.764 5.231 1.00 0.00 N ATOM 513 CA PRO A 35 11.262 -20.518 6.347 1.00 0.00 C ATOM 514 C PRO A 35 9.913 -19.962 6.787 1.00 0.00 C ATOM 515 O PRO A 35 8.961 -20.712 6.998 1.00 0.00 O ATOM 516 CB PRO A 35 12.299 -20.352 7.462 1.00 0.00 C ATOM 517 CG PRO A 35 13.585 -20.111 6.750 1.00 0.00 C ATOM 518 CD PRO A 35 13.251 -19.417 5.465 1.00 0.00 C ATOM 0 HA PRO A 35 11.067 -21.556 6.079 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.046 -19.518 8.117 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.354 -21.243 8.088 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.253 -19.499 7.356 1.00 0.00 H new ATOM 0 HG3 PRO A 35 14.101 -21.051 6.557 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.389 -18.339 5.546 1.00 0.00 H new ATOM 0 HD3 PRO A 35 13.887 -19.760 4.649 1.00 0.00 H new ATOM 526 N GLU A 36 9.838 -18.641 6.923 1.00 0.00 N ATOM 527 CA GLU A 36 8.604 -17.985 7.339 1.00 0.00 C ATOM 528 C GLU A 36 7.652 -17.819 6.158 1.00 0.00 C ATOM 529 O GLU A 36 6.592 -18.443 6.108 1.00 0.00 O ATOM 530 CB GLU A 36 8.909 -16.620 7.959 1.00 0.00 C ATOM 531 CG GLU A 36 10.054 -16.647 8.957 1.00 0.00 C ATOM 532 CD GLU A 36 9.589 -16.946 10.369 1.00 0.00 C ATOM 533 OE1 GLU A 36 8.568 -16.366 10.794 1.00 0.00 O ATOM 534 OE2 GLU A 36 10.247 -17.761 11.050 1.00 0.00 O ATOM 0 H GLU A 36 10.617 -18.005 6.751 1.00 0.00 H new ATOM 0 HA GLU A 36 8.122 -18.615 8.087 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.148 -15.914 7.163 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.013 -16.248 8.456 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.781 -17.399 8.651 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.566 -15.685 8.943 1.00 0.00 H new ATOM 541 N ARG A 37 8.039 -16.972 5.209 1.00 0.00 N ATOM 542 CA ARG A 37 7.220 -16.721 4.029 1.00 0.00 C ATOM 543 C ARG A 37 6.484 -17.987 3.599 1.00 0.00 C ATOM 544 O ARG A 37 5.367 -17.925 3.086 1.00 0.00 O ATOM 545 CB ARG A 37 8.088 -16.207 2.879 1.00 0.00 C ATOM 546 CG ARG A 37 7.353 -15.274 1.931 1.00 0.00 C ATOM 547 CD ARG A 37 8.234 -14.860 0.763 1.00 0.00 C ATOM 548 NE ARG A 37 9.572 -14.468 1.198 1.00 0.00 N ATOM 549 CZ ARG A 37 10.643 -14.516 0.414 1.00 0.00 C ATOM 550 NH1 ARG A 37 10.534 -14.937 -0.838 1.00 0.00 N ATOM 551 NH2 ARG A 37 11.827 -14.143 0.883 1.00 0.00 N ATOM 0 H ARG A 37 8.914 -16.448 5.234 1.00 0.00 H new ATOM 0 HA ARG A 37 6.482 -15.961 4.285 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.951 -15.685 3.292 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.470 -17.058 2.315 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.457 -15.767 1.555 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.025 -14.387 2.473 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.310 -15.686 0.056 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.767 -14.029 0.234 1.00 0.00 H new ATOM 0 HE ARG A 37 9.690 -14.139 2.156 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.626 -15.225 -1.202 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.358 -14.973 -1.438 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.915 -13.819 1.846 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.649 -14.180 0.280 1.00 0.00 H new ATOM 565 N LYS A 38 7.119 -19.135 3.811 1.00 0.00 N ATOM 566 CA LYS A 38 6.526 -20.416 3.447 1.00 0.00 C ATOM 567 C LYS A 38 5.306 -20.717 4.312 1.00 0.00 C ATOM 568 O LYS A 38 4.246 -21.082 3.802 1.00 0.00 O ATOM 569 CB LYS A 38 7.556 -21.538 3.592 1.00 0.00 C ATOM 570 CG LYS A 38 8.486 -21.669 2.397 1.00 0.00 C ATOM 571 CD LYS A 38 9.609 -22.655 2.670 1.00 0.00 C ATOM 572 CE LYS A 38 10.847 -22.330 1.848 1.00 0.00 C ATOM 573 NZ LYS A 38 11.816 -23.461 1.835 1.00 0.00 N ATOM 0 H LYS A 38 8.045 -19.204 4.233 1.00 0.00 H new ATOM 0 HA LYS A 38 6.206 -20.357 2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.152 -21.360 4.487 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.033 -22.483 3.740 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.917 -21.996 1.526 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.908 -20.694 2.154 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.860 -22.638 3.731 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.272 -23.665 2.439 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.552 -22.092 0.826 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.331 -21.442 2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.646 -23.201 1.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.117 -23.672 2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.363 -24.302 1.423 1.00 0.00 H new ATOM 587 N ARG A 39 5.462 -20.561 5.622 1.00 0.00 N ATOM 588 CA ARG A 39 4.374 -20.816 6.557 1.00 0.00 C ATOM 589 C ARG A 39 3.298 -19.738 6.447 1.00 0.00 C ATOM 590 O ARG A 39 2.103 -20.032 6.490 1.00 0.00 O ATOM 591 CB ARG A 39 4.907 -20.874 7.990 1.00 0.00 C ATOM 592 CG ARG A 39 6.145 -21.741 8.145 1.00 0.00 C ATOM 593 CD ARG A 39 7.034 -21.247 9.274 1.00 0.00 C ATOM 594 NE ARG A 39 6.627 -21.787 10.568 1.00 0.00 N ATOM 595 CZ ARG A 39 6.766 -23.063 10.909 1.00 0.00 C ATOM 596 NH1 ARG A 39 7.300 -23.926 10.055 1.00 0.00 N ATOM 597 NH2 ARG A 39 6.372 -23.479 12.105 1.00 0.00 N ATOM 0 H ARG A 39 6.332 -20.259 6.060 1.00 0.00 H new ATOM 0 HA ARG A 39 3.929 -21.778 6.303 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.138 -19.862 8.324 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.123 -21.254 8.645 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.847 -22.771 8.340 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.708 -21.743 7.212 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.067 -21.530 9.072 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.003 -20.158 9.310 1.00 0.00 H new ATOM 0 HE ARG A 39 6.213 -21.149 11.248 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.605 -23.610 9.134 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.406 -24.906 10.319 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.961 -22.819 12.765 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.480 -24.459 12.365 1.00 0.00 H new ATOM 611 N LEU A 40 3.731 -18.491 6.304 1.00 0.00 N ATOM 612 CA LEU A 40 2.806 -17.369 6.187 1.00 0.00 C ATOM 613 C LEU A 40 1.803 -17.605 5.063 1.00 0.00 C ATOM 614 O LEU A 40 0.593 -17.497 5.265 1.00 0.00 O ATOM 615 CB LEU A 40 3.576 -16.071 5.934 1.00 0.00 C ATOM 616 CG LEU A 40 2.810 -14.774 6.195 1.00 0.00 C ATOM 617 CD1 LEU A 40 2.520 -14.614 7.679 1.00 0.00 C ATOM 618 CD2 LEU A 40 3.591 -13.578 5.670 1.00 0.00 C ATOM 0 H LEU A 40 4.717 -18.231 6.266 1.00 0.00 H new ATOM 0 HA LEU A 40 2.259 -17.283 7.126 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.469 -16.074 6.559 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.913 -16.068 4.897 1.00 0.00 H new ATOM 0 HG LEU A 40 1.860 -14.823 5.664 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.974 -13.685 7.845 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.919 -15.455 8.025 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.459 -14.587 8.232 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.030 -12.664 5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.557 -13.525 6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.746 -13.687 4.597 1.00 0.00 H new ATOM 630 N ALA A 41 2.313 -17.930 3.880 1.00 0.00 N ATOM 631 CA ALA A 41 1.461 -18.186 2.725 1.00 0.00 C ATOM 632 C ALA A 41 0.379 -19.208 3.057 1.00 0.00 C ATOM 633 O ALA A 41 -0.683 -19.228 2.434 1.00 0.00 O ATOM 634 CB ALA A 41 2.298 -18.664 1.548 1.00 0.00 C ATOM 0 H ALA A 41 3.312 -18.022 3.696 1.00 0.00 H new ATOM 0 HA ALA A 41 0.970 -17.252 2.452 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.649 -18.851 0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.030 -17.899 1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.815 -19.584 1.819 1.00 0.00 H new ATOM 640 N LYS A 42 0.656 -20.058 4.040 1.00 0.00 N ATOM 641 CA LYS A 42 -0.293 -21.083 4.456 1.00 0.00 C ATOM 642 C LYS A 42 -1.298 -20.521 5.457 1.00 0.00 C ATOM 643 O LYS A 42 -2.421 -21.012 5.565 1.00 0.00 O ATOM 644 CB LYS A 42 0.447 -22.272 5.073 1.00 0.00 C ATOM 645 CG LYS A 42 -0.388 -23.540 5.140 1.00 0.00 C ATOM 646 CD LYS A 42 0.476 -24.764 5.393 1.00 0.00 C ATOM 647 CE LYS A 42 -0.277 -26.050 5.090 1.00 0.00 C ATOM 648 NZ LYS A 42 -0.550 -26.203 3.634 1.00 0.00 N ATOM 0 H LYS A 42 1.531 -20.057 4.564 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.836 -21.419 3.573 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.347 -22.470 4.492 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.770 -22.006 6.080 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.130 -23.447 5.933 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.935 -23.666 4.206 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.372 -24.712 4.775 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.805 -24.770 6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.304 -26.902 5.442 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.219 -26.057 5.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.763 -27.199 3.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.364 -25.612 3.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.285 -25.905 3.091 1.00 0.00 H new ATOM 662 N MET A 43 -0.886 -19.489 6.185 1.00 0.00 N ATOM 663 CA MET A 43 -1.752 -18.859 7.175 1.00 0.00 C ATOM 664 C MET A 43 -2.711 -17.876 6.512 1.00 0.00 C ATOM 665 O MET A 43 -3.903 -17.851 6.821 1.00 0.00 O ATOM 666 CB MET A 43 -0.914 -18.138 8.232 1.00 0.00 C ATOM 667 CG MET A 43 -1.725 -17.209 9.121 1.00 0.00 C ATOM 668 SD MET A 43 -0.993 -16.998 10.756 1.00 0.00 S ATOM 669 CE MET A 43 0.155 -15.660 10.442 1.00 0.00 C ATOM 0 H MET A 43 0.041 -19.071 6.108 1.00 0.00 H new ATOM 0 HA MET A 43 -2.338 -19.641 7.658 1.00 0.00 H new ATOM 0 HB2 MET A 43 -0.414 -18.879 8.855 1.00 0.00 H new ATOM 0 HB3 MET A 43 -0.134 -17.562 7.734 1.00 0.00 H new ATOM 0 HG2 MET A 43 -1.813 -16.236 8.638 1.00 0.00 H new ATOM 0 HG3 MET A 43 -2.735 -17.605 9.228 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.039 -14.844 11.138 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.176 -16.017 10.577 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.028 -15.304 9.420 1.00 0.00 H new ATOM 679 N LEU A 44 -2.184 -17.067 5.599 1.00 0.00 N ATOM 680 CA LEU A 44 -2.994 -16.081 4.891 1.00 0.00 C ATOM 681 C LEU A 44 -3.575 -16.672 3.610 1.00 0.00 C ATOM 682 O LEU A 44 -4.210 -15.969 2.825 1.00 0.00 O ATOM 683 CB LEU A 44 -2.155 -14.845 4.562 1.00 0.00 C ATOM 684 CG LEU A 44 -1.412 -14.206 5.736 1.00 0.00 C ATOM 685 CD1 LEU A 44 -0.405 -13.182 5.236 1.00 0.00 C ATOM 686 CD2 LEU A 44 -2.396 -13.562 6.702 1.00 0.00 C ATOM 0 H LEU A 44 -1.200 -17.074 5.332 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.819 -15.790 5.541 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.424 -15.119 3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.809 -14.094 4.120 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.870 -14.988 6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.114 -12.738 6.085 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.318 -13.671 4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.925 -12.402 4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.850 -13.112 7.531 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.965 -12.792 6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.078 -14.320 7.086 1.00 0.00 H new ATOM 698 N GLN A 45 -3.354 -17.967 3.409 1.00 0.00 N ATOM 699 CA GLN A 45 -3.857 -18.651 2.224 1.00 0.00 C ATOM 700 C GLN A 45 -3.306 -18.015 0.952 1.00 0.00 C ATOM 701 O GLN A 45 -3.972 -17.996 -0.084 1.00 0.00 O ATOM 702 CB GLN A 45 -5.386 -18.621 2.202 1.00 0.00 C ATOM 703 CG GLN A 45 -6.029 -19.784 2.940 1.00 0.00 C ATOM 704 CD GLN A 45 -7.540 -19.680 2.991 1.00 0.00 C ATOM 705 OE1 GLN A 45 -8.224 -19.915 1.994 1.00 0.00 O ATOM 706 NE2 GLN A 45 -8.071 -19.326 4.156 1.00 0.00 N ATOM 0 H GLN A 45 -2.831 -18.563 4.051 1.00 0.00 H new ATOM 0 HA GLN A 45 -3.521 -19.687 2.265 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -5.729 -17.686 2.645 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.726 -18.626 1.166 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.749 -20.718 2.452 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -5.637 -19.825 3.956 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.467 -19.141 4.957 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.083 -19.240 4.250 1.00 0.00 H new ATOM 715 N LEU A 46 -2.087 -17.494 1.038 1.00 0.00 N ATOM 716 CA LEU A 46 -1.445 -16.856 -0.107 1.00 0.00 C ATOM 717 C LEU A 46 -0.348 -17.746 -0.682 1.00 0.00 C ATOM 718 O LEU A 46 -0.142 -18.869 -0.223 1.00 0.00 O ATOM 719 CB LEU A 46 -0.860 -15.503 0.301 1.00 0.00 C ATOM 720 CG LEU A 46 -1.800 -14.566 1.061 1.00 0.00 C ATOM 721 CD1 LEU A 46 -1.030 -13.385 1.631 1.00 0.00 C ATOM 722 CD2 LEU A 46 -2.921 -14.085 0.152 1.00 0.00 C ATOM 0 H LEU A 46 -1.523 -17.501 1.888 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.201 -16.701 -0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.020 -15.682 0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.519 -14.991 -0.599 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.242 -15.119 1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.715 -12.729 2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.263 -13.747 2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.560 -12.831 0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.581 -13.419 0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.496 -13.549 -0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.490 -14.942 -0.208 1.00 0.00 H new ATOM 734 N SER A 47 0.354 -17.235 -1.688 1.00 0.00 N ATOM 735 CA SER A 47 1.430 -17.983 -2.327 1.00 0.00 C ATOM 736 C SER A 47 2.783 -17.336 -2.047 1.00 0.00 C ATOM 737 O SER A 47 2.876 -16.124 -1.859 1.00 0.00 O ATOM 738 CB SER A 47 1.195 -18.067 -3.837 1.00 0.00 C ATOM 739 OG SER A 47 1.886 -19.168 -4.400 1.00 0.00 O ATOM 0 H SER A 47 0.197 -16.306 -2.078 1.00 0.00 H new ATOM 0 HA SER A 47 1.435 -18.990 -1.911 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.128 -18.162 -4.037 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.527 -17.144 -4.312 1.00 0.00 H new ATOM 0 HG SER A 47 1.394 -19.499 -5.180 1.00 0.00 H new ATOM 745 N GLU A 48 3.830 -18.156 -2.021 1.00 0.00 N ATOM 746 CA GLU A 48 5.178 -17.664 -1.763 1.00 0.00 C ATOM 747 C GLU A 48 5.482 -16.437 -2.618 1.00 0.00 C ATOM 748 O GLU A 48 6.052 -15.458 -2.137 1.00 0.00 O ATOM 749 CB GLU A 48 6.207 -18.761 -2.040 1.00 0.00 C ATOM 750 CG GLU A 48 6.401 -19.721 -0.879 1.00 0.00 C ATOM 751 CD GLU A 48 7.567 -20.668 -1.093 1.00 0.00 C ATOM 752 OE1 GLU A 48 8.706 -20.294 -0.743 1.00 0.00 O ATOM 753 OE2 GLU A 48 7.340 -21.781 -1.611 1.00 0.00 O ATOM 0 H GLU A 48 3.770 -19.162 -2.175 1.00 0.00 H new ATOM 0 HA GLU A 48 5.238 -17.377 -0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.896 -19.325 -2.919 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.164 -18.298 -2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.564 -19.151 0.036 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.489 -20.300 -0.735 1.00 0.00 H new ATOM 760 N ARG A 49 5.099 -16.500 -3.889 1.00 0.00 N ATOM 761 CA ARG A 49 5.332 -15.396 -4.812 1.00 0.00 C ATOM 762 C ARG A 49 4.539 -14.161 -4.395 1.00 0.00 C ATOM 763 O ARG A 49 5.005 -13.032 -4.547 1.00 0.00 O ATOM 764 CB ARG A 49 4.949 -15.804 -6.236 1.00 0.00 C ATOM 765 CG ARG A 49 3.772 -16.764 -6.298 1.00 0.00 C ATOM 766 CD ARG A 49 3.150 -16.794 -7.685 1.00 0.00 C ATOM 767 NE ARG A 49 1.923 -17.585 -7.718 1.00 0.00 N ATOM 768 CZ ARG A 49 1.905 -18.910 -7.804 1.00 0.00 C ATOM 769 NH1 ARG A 49 3.042 -19.589 -7.865 1.00 0.00 N ATOM 770 NH2 ARG A 49 0.748 -19.559 -7.829 1.00 0.00 N ATOM 0 H ARG A 49 4.626 -17.304 -4.303 1.00 0.00 H new ATOM 0 HA ARG A 49 6.394 -15.151 -4.784 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.708 -14.909 -6.809 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.811 -16.267 -6.717 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.103 -17.766 -6.025 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.020 -16.467 -5.567 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.933 -15.775 -8.007 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.867 -17.207 -8.395 1.00 0.00 H new ATOM 0 HE ARG A 49 1.031 -17.093 -7.672 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.933 -19.094 -7.846 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.025 -20.607 -7.931 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.129 -19.040 -7.782 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.735 -20.577 -7.895 1.00 0.00 H new ATOM 784 N GLN A 50 3.339 -14.384 -3.869 1.00 0.00 N ATOM 785 CA GLN A 50 2.482 -13.289 -3.431 1.00 0.00 C ATOM 786 C GLN A 50 3.056 -12.610 -2.192 1.00 0.00 C ATOM 787 O GLN A 50 2.972 -11.390 -2.045 1.00 0.00 O ATOM 788 CB GLN A 50 1.071 -13.804 -3.136 1.00 0.00 C ATOM 789 CG GLN A 50 0.211 -13.967 -4.379 1.00 0.00 C ATOM 790 CD GLN A 50 -1.206 -14.396 -4.056 1.00 0.00 C ATOM 791 OE1 GLN A 50 -1.383 -15.677 -3.754 1.00 0.00 O flip ATOM 792 NE2 GLN A 50 -2.133 -13.585 -4.078 1.00 0.00 N flip ATOM 0 H GLN A 50 2.938 -15.313 -3.736 1.00 0.00 H new ATOM 0 HA GLN A 50 2.433 -12.555 -4.236 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.143 -14.764 -2.626 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.578 -13.115 -2.451 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.185 -13.024 -4.925 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.668 -14.705 -5.038 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.952 -12.610 -4.315 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.082 -13.889 -3.859 1.00 0.00 H new ATOM 801 N VAL A 51 3.641 -13.407 -1.303 1.00 0.00 N ATOM 802 CA VAL A 51 4.230 -12.882 -0.077 1.00 0.00 C ATOM 803 C VAL A 51 5.634 -12.343 -0.329 1.00 0.00 C ATOM 804 O VAL A 51 6.114 -11.468 0.391 1.00 0.00 O ATOM 805 CB VAL A 51 4.296 -13.961 1.020 1.00 0.00 C ATOM 806 CG1 VAL A 51 4.784 -13.361 2.330 1.00 0.00 C ATOM 807 CG2 VAL A 51 2.937 -14.620 1.200 1.00 0.00 C ATOM 0 H VAL A 51 3.720 -14.418 -1.409 1.00 0.00 H new ATOM 0 HA VAL A 51 3.587 -12.069 0.261 1.00 0.00 H new ATOM 0 HB VAL A 51 5.008 -14.726 0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.824 -14.138 3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.779 -12.939 2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.099 -12.575 2.648 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.001 -15.380 1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.203 -13.867 1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.632 -15.086 0.263 1.00 0.00 H new ATOM 817 N LYS A 52 6.289 -12.872 -1.358 1.00 0.00 N ATOM 818 CA LYS A 52 7.638 -12.444 -1.708 1.00 0.00 C ATOM 819 C LYS A 52 7.602 -11.210 -2.604 1.00 0.00 C ATOM 820 O LYS A 52 8.547 -10.420 -2.630 1.00 0.00 O ATOM 821 CB LYS A 52 8.388 -13.577 -2.412 1.00 0.00 C ATOM 822 CG LYS A 52 8.167 -13.610 -3.915 1.00 0.00 C ATOM 823 CD LYS A 52 9.199 -12.770 -4.649 1.00 0.00 C ATOM 824 CE LYS A 52 10.465 -13.564 -4.932 1.00 0.00 C ATOM 825 NZ LYS A 52 11.174 -13.065 -6.143 1.00 0.00 N ATOM 0 H LYS A 52 5.907 -13.598 -1.964 1.00 0.00 H new ATOM 0 HA LYS A 52 8.161 -12.187 -0.787 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.455 -13.475 -2.212 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.074 -14.530 -1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.217 -14.640 -4.268 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.167 -13.242 -4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.776 -12.411 -5.587 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.445 -11.891 -4.053 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.131 -13.505 -4.071 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.212 -14.615 -5.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.031 -13.632 -6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.548 -13.145 -6.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.439 -12.069 -6.005 1.00 0.00 H new ATOM 839 N THR A 53 6.505 -11.048 -3.337 1.00 0.00 N ATOM 840 CA THR A 53 6.346 -9.910 -4.233 1.00 0.00 C ATOM 841 C THR A 53 5.767 -8.707 -3.498 1.00 0.00 C ATOM 842 O THR A 53 6.370 -7.634 -3.472 1.00 0.00 O ATOM 843 CB THR A 53 5.433 -10.257 -5.425 1.00 0.00 C ATOM 844 OG1 THR A 53 6.112 -11.144 -6.320 1.00 0.00 O ATOM 845 CG2 THR A 53 5.014 -8.998 -6.170 1.00 0.00 C ATOM 0 H THR A 53 5.713 -11.691 -3.327 1.00 0.00 H new ATOM 0 HA THR A 53 7.340 -9.660 -4.606 1.00 0.00 H new ATOM 0 HB THR A 53 4.539 -10.746 -5.039 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.987 -12.069 -6.021 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.370 -9.268 -7.007 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.471 -8.338 -5.493 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.900 -8.485 -6.544 1.00 0.00 H new ATOM 853 N TRP A 54 4.595 -8.893 -2.900 1.00 0.00 N ATOM 854 CA TRP A 54 3.935 -7.821 -2.162 1.00 0.00 C ATOM 855 C TRP A 54 4.941 -7.034 -1.330 1.00 0.00 C ATOM 856 O TRP A 54 5.082 -5.821 -1.493 1.00 0.00 O ATOM 857 CB TRP A 54 2.844 -8.395 -1.257 1.00 0.00 C ATOM 858 CG TRP A 54 1.971 -7.344 -0.640 1.00 0.00 C ATOM 859 CD1 TRP A 54 0.769 -6.897 -1.111 1.00 0.00 C ATOM 860 CD2 TRP A 54 2.234 -6.608 0.559 1.00 0.00 C ATOM 861 NE1 TRP A 54 0.269 -5.927 -0.275 1.00 0.00 N ATOM 862 CE2 TRP A 54 1.148 -5.732 0.757 1.00 0.00 C ATOM 863 CE3 TRP A 54 3.279 -6.604 1.487 1.00 0.00 C ATOM 864 CZ2 TRP A 54 1.081 -4.863 1.843 1.00 0.00 C ATOM 865 CZ3 TRP A 54 3.211 -5.741 2.563 1.00 0.00 C ATOM 866 CH2 TRP A 54 2.118 -4.881 2.735 1.00 0.00 C ATOM 0 H TRP A 54 4.083 -9.775 -2.912 1.00 0.00 H new ATOM 0 HA TRP A 54 3.479 -7.143 -2.884 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.223 -9.079 -1.837 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.310 -8.981 -0.465 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.283 -7.253 -2.008 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.614 -5.432 -0.403 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.125 -7.264 1.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.240 -4.198 1.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.014 -5.729 3.285 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.094 -4.220 3.588 1.00 0.00 H new ATOM 877 N PHE A 55 5.639 -7.729 -0.438 1.00 0.00 N ATOM 878 CA PHE A 55 6.631 -7.094 0.420 1.00 0.00 C ATOM 879 C PHE A 55 7.629 -6.288 -0.407 1.00 0.00 C ATOM 880 O PHE A 55 7.845 -5.103 -0.155 1.00 0.00 O ATOM 881 CB PHE A 55 7.370 -8.147 1.248 1.00 0.00 C ATOM 882 CG PHE A 55 6.588 -8.635 2.433 1.00 0.00 C ATOM 883 CD1 PHE A 55 5.464 -9.425 2.261 1.00 0.00 C ATOM 884 CD2 PHE A 55 6.977 -8.302 3.721 1.00 0.00 C ATOM 885 CE1 PHE A 55 4.742 -9.876 3.350 1.00 0.00 C ATOM 886 CE2 PHE A 55 6.260 -8.750 4.814 1.00 0.00 C ATOM 887 CZ PHE A 55 5.140 -9.537 4.628 1.00 0.00 C ATOM 0 H PHE A 55 5.535 -8.733 -0.291 1.00 0.00 H new ATOM 0 HA PHE A 55 6.110 -6.413 1.093 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.613 -8.996 0.609 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.315 -7.728 1.594 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.147 -9.692 1.264 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.851 -7.685 3.872 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.868 -10.493 3.201 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.575 -8.485 5.813 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.577 -9.886 5.481 1.00 0.00 H new ATOM 897 N GLN A 56 8.234 -6.941 -1.394 1.00 0.00 N ATOM 898 CA GLN A 56 9.210 -6.286 -2.257 1.00 0.00 C ATOM 899 C GLN A 56 8.662 -4.969 -2.797 1.00 0.00 C ATOM 900 O GLN A 56 9.298 -3.923 -2.671 1.00 0.00 O ATOM 901 CB GLN A 56 9.595 -7.206 -3.417 1.00 0.00 C ATOM 902 CG GLN A 56 10.743 -8.148 -3.091 1.00 0.00 C ATOM 903 CD GLN A 56 10.936 -9.220 -4.146 1.00 0.00 C ATOM 904 OE1 GLN A 56 10.167 -9.310 -5.104 1.00 0.00 O ATOM 905 NE2 GLN A 56 11.966 -10.040 -3.976 1.00 0.00 N ATOM 0 H GLN A 56 8.066 -7.922 -1.616 1.00 0.00 H new ATOM 0 HA GLN A 56 10.098 -6.072 -1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 56 8.725 -7.794 -3.708 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.869 -6.596 -4.278 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.663 -7.572 -2.991 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.557 -8.622 -2.127 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.578 -9.929 -3.167 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.145 -10.781 -4.654 1.00 0.00 H new ATOM 914 N ASN A 57 7.479 -5.029 -3.399 1.00 0.00 N ATOM 915 CA ASN A 57 6.846 -3.840 -3.959 1.00 0.00 C ATOM 916 C ASN A 57 6.534 -2.823 -2.866 1.00 0.00 C ATOM 917 O ASN A 57 6.594 -1.615 -3.093 1.00 0.00 O ATOM 918 CB ASN A 57 5.562 -4.222 -4.698 1.00 0.00 C ATOM 919 CG ASN A 57 5.837 -4.961 -5.993 1.00 0.00 C ATOM 920 OD1 ASN A 57 6.846 -4.720 -6.656 1.00 0.00 O ATOM 921 ND2 ASN A 57 4.939 -5.868 -6.359 1.00 0.00 N ATOM 0 H ASN A 57 6.939 -5.887 -3.512 1.00 0.00 H new ATOM 0 HA ASN A 57 7.542 -3.386 -4.664 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.946 -4.846 -4.051 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.988 -3.321 -4.912 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.071 -6.398 -7.221 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.117 -6.035 -5.779 1.00 0.00 H new ATOM 928 N ARG A 58 6.202 -3.321 -1.679 1.00 0.00 N ATOM 929 CA ARG A 58 5.880 -2.457 -0.551 1.00 0.00 C ATOM 930 C ARG A 58 7.075 -1.586 -0.175 1.00 0.00 C ATOM 931 O ARG A 58 6.968 -0.361 -0.110 1.00 0.00 O ATOM 932 CB ARG A 58 5.446 -3.294 0.654 1.00 0.00 C ATOM 933 CG ARG A 58 5.074 -2.464 1.871 1.00 0.00 C ATOM 934 CD ARG A 58 3.774 -1.705 1.651 1.00 0.00 C ATOM 935 NE ARG A 58 3.589 -0.640 2.633 1.00 0.00 N ATOM 936 CZ ARG A 58 2.674 0.316 2.517 1.00 0.00 C ATOM 937 NH1 ARG A 58 1.865 0.339 1.467 1.00 0.00 N ATOM 938 NH2 ARG A 58 2.567 1.250 3.453 1.00 0.00 N ATOM 0 H ARG A 58 6.149 -4.319 -1.474 1.00 0.00 H new ATOM 0 HA ARG A 58 5.057 -1.807 -0.848 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.592 -3.909 0.370 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.254 -3.975 0.922 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.974 -3.115 2.740 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.876 -1.759 2.091 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.769 -1.278 0.648 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.935 -2.399 1.706 1.00 0.00 H new ATOM 0 HE ARG A 58 4.196 -0.630 3.453 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.944 -0.378 0.746 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.163 1.074 1.380 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.188 1.234 4.262 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.864 1.984 3.363 1.00 0.00 H new ATOM 952 N ARG A 59 8.213 -2.227 0.073 1.00 0.00 N ATOM 953 CA ARG A 59 9.428 -1.512 0.445 1.00 0.00 C ATOM 954 C ARG A 59 9.629 -0.286 -0.442 1.00 0.00 C ATOM 955 O ARG A 59 9.837 0.822 0.052 1.00 0.00 O ATOM 956 CB ARG A 59 10.642 -2.436 0.339 1.00 0.00 C ATOM 957 CG ARG A 59 11.831 -1.977 1.167 1.00 0.00 C ATOM 958 CD ARG A 59 13.147 -2.411 0.540 1.00 0.00 C ATOM 959 NE ARG A 59 13.363 -1.790 -0.764 1.00 0.00 N ATOM 960 CZ ARG A 59 14.362 -2.116 -1.576 1.00 0.00 C ATOM 961 NH1 ARG A 59 15.231 -3.052 -1.221 1.00 0.00 N ATOM 962 NH2 ARG A 59 14.493 -1.506 -2.748 1.00 0.00 N ATOM 0 H ARG A 59 8.319 -3.240 0.023 1.00 0.00 H new ATOM 0 HA ARG A 59 9.323 -1.180 1.478 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.354 -3.438 0.657 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.944 -2.507 -0.706 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.812 -0.891 1.262 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.754 -2.386 2.174 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.969 -2.150 1.206 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.156 -3.496 0.431 1.00 0.00 H new ATOM 0 HE ARG A 59 12.711 -1.067 -1.068 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.133 -3.524 -0.322 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.997 -3.300 -1.847 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.826 -0.786 -3.026 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.261 -1.757 -3.371 1.00 0.00 H new ATOM 976 N ALA A 60 9.567 -0.494 -1.753 1.00 0.00 N ATOM 977 CA ALA A 60 9.742 0.593 -2.708 1.00 0.00 C ATOM 978 C ALA A 60 8.957 1.829 -2.281 1.00 0.00 C ATOM 979 O ALA A 60 9.459 2.951 -2.351 1.00 0.00 O ATOM 980 CB ALA A 60 9.315 0.148 -4.099 1.00 0.00 C ATOM 0 H ALA A 60 9.397 -1.406 -2.178 1.00 0.00 H new ATOM 0 HA ALA A 60 10.799 0.856 -2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.451 0.970 -4.802 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.922 -0.701 -4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.265 -0.144 -4.081 1.00 0.00 H new ATOM 986 N LYS A 61 7.722 1.617 -1.840 1.00 0.00 N ATOM 987 CA LYS A 61 6.866 2.713 -1.402 1.00 0.00 C ATOM 988 C LYS A 61 7.306 3.235 -0.038 1.00 0.00 C ATOM 989 O LYS A 61 7.458 4.441 0.156 1.00 0.00 O ATOM 990 CB LYS A 61 5.407 2.255 -1.338 1.00 0.00 C ATOM 991 CG LYS A 61 4.407 3.389 -1.475 1.00 0.00 C ATOM 992 CD LYS A 61 3.059 2.888 -1.966 1.00 0.00 C ATOM 993 CE LYS A 61 2.315 3.961 -2.745 1.00 0.00 C ATOM 994 NZ LYS A 61 1.506 4.835 -1.851 1.00 0.00 N ATOM 0 H LYS A 61 7.291 0.695 -1.776 1.00 0.00 H new ATOM 0 HA LYS A 61 6.955 3.522 -2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.229 1.527 -2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.237 1.744 -0.390 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.283 3.884 -0.512 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.794 4.135 -2.170 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.204 2.012 -2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.456 2.571 -1.115 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.030 4.570 -3.298 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.662 3.490 -3.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.014 5.553 -2.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.806 4.258 -1.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.132 5.305 -1.166 1.00 0.00 H new ATOM 1008 N TRP A 62 7.511 2.320 0.903 1.00 0.00 N ATOM 1009 CA TRP A 62 7.935 2.688 2.248 1.00 0.00 C ATOM 1010 C TRP A 62 9.144 3.615 2.203 1.00 0.00 C ATOM 1011 O TRP A 62 9.128 4.701 2.783 1.00 0.00 O ATOM 1012 CB TRP A 62 8.267 1.436 3.061 1.00 0.00 C ATOM 1013 CG TRP A 62 9.112 1.717 4.267 1.00 0.00 C ATOM 1014 CD1 TRP A 62 8.713 2.324 5.424 1.00 0.00 C ATOM 1015 CD2 TRP A 62 10.499 1.405 4.433 1.00 0.00 C ATOM 1016 NE1 TRP A 62 9.769 2.407 6.299 1.00 0.00 N ATOM 1017 CE2 TRP A 62 10.876 1.850 5.716 1.00 0.00 C ATOM 1018 CE3 TRP A 62 11.460 0.792 3.625 1.00 0.00 C ATOM 1019 CZ2 TRP A 62 12.171 1.701 6.205 1.00 0.00 C ATOM 1020 CZ3 TRP A 62 12.745 0.644 4.111 1.00 0.00 C ATOM 1021 CH2 TRP A 62 13.091 1.096 5.392 1.00 0.00 C ATOM 0 H TRP A 62 7.390 1.318 0.759 1.00 0.00 H new ATOM 0 HA TRP A 62 7.112 3.217 2.729 1.00 0.00 H new ATOM 0 HB2 TRP A 62 7.339 0.962 3.379 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.786 0.723 2.421 1.00 0.00 H new ATOM 0 HD1 TRP A 62 7.715 2.685 5.622 1.00 0.00 H new ATOM 0 HE1 TRP A 62 9.734 2.817 7.232 1.00 0.00 H new ATOM 0 HE3 TRP A 62 11.203 0.440 2.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 12.440 2.050 7.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 13.495 0.172 3.494 1.00 0.00 H new ATOM 0 HH2 TRP A 62 14.103 0.964 5.744 1.00 0.00 H new ATOM 1032 N ARG A 63 10.192 3.181 1.511 1.00 0.00 N ATOM 1033 CA ARG A 63 11.411 3.972 1.391 1.00 0.00 C ATOM 1034 C ARG A 63 11.106 5.358 0.829 1.00 0.00 C ATOM 1035 O ARG A 63 11.560 6.369 1.365 1.00 0.00 O ATOM 1036 CB ARG A 63 12.422 3.258 0.493 1.00 0.00 C ATOM 1037 CG ARG A 63 13.161 2.126 1.188 1.00 0.00 C ATOM 1038 CD ARG A 63 14.435 1.754 0.446 1.00 0.00 C ATOM 1039 NE ARG A 63 15.553 2.622 0.810 1.00 0.00 N ATOM 1040 CZ ARG A 63 16.241 2.499 1.939 1.00 0.00 C ATOM 1041 NH1 ARG A 63 15.928 1.550 2.811 1.00 0.00 N ATOM 1042 NH2 ARG A 63 17.245 3.327 2.199 1.00 0.00 N ATOM 0 H ARG A 63 10.222 2.285 1.024 1.00 0.00 H new ATOM 0 HA ARG A 63 11.838 4.088 2.387 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.903 2.860 -0.379 1.00 0.00 H new ATOM 0 HB3 ARG A 63 13.148 3.985 0.128 1.00 0.00 H new ATOM 0 HG2 ARG A 63 13.406 2.422 2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 63 12.511 1.254 1.257 1.00 0.00 H new ATOM 0 HD2 ARG A 63 14.693 0.718 0.666 1.00 0.00 H new ATOM 0 HD3 ARG A 63 14.261 1.818 -0.628 1.00 0.00 H new ATOM 0 HE ARG A 63 15.819 3.363 0.161 1.00 0.00 H new ATOM 0 HH11 ARG A 63 15.157 0.912 2.615 1.00 0.00 H new ATOM 0 HH12 ARG A 63 16.459 1.458 3.677 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.489 4.059 1.531 1.00 0.00 H new ATOM 0 HH22 ARG A 63 17.773 3.232 3.067 1.00 0.00 H new ATOM 1056 N ARG A 64 10.334 5.396 -0.252 1.00 0.00 N ATOM 1057 CA ARG A 64 9.970 6.657 -0.887 1.00 0.00 C ATOM 1058 C ARG A 64 9.399 7.635 0.135 1.00 0.00 C ATOM 1059 O ARG A 64 9.884 8.758 0.273 1.00 0.00 O ATOM 1060 CB ARG A 64 8.951 6.415 -2.002 1.00 0.00 C ATOM 1061 CG ARG A 64 8.766 7.608 -2.927 1.00 0.00 C ATOM 1062 CD ARG A 64 9.910 7.723 -3.922 1.00 0.00 C ATOM 1063 NE ARG A 64 10.149 9.107 -4.323 1.00 0.00 N ATOM 1064 CZ ARG A 64 11.110 9.473 -5.164 1.00 0.00 C ATOM 1065 NH1 ARG A 64 11.917 8.562 -5.690 1.00 0.00 N ATOM 1066 NH2 ARG A 64 11.265 10.753 -5.480 1.00 0.00 N ATOM 0 H ARG A 64 9.949 4.568 -0.706 1.00 0.00 H new ATOM 0 HA ARG A 64 10.872 7.093 -1.317 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.267 5.554 -2.591 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.990 6.160 -1.555 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.823 7.510 -3.465 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.703 8.522 -2.336 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.818 7.312 -3.480 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.685 7.124 -4.804 1.00 0.00 H new ATOM 0 HE ARG A 64 9.545 9.832 -3.936 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.801 7.578 -5.449 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.654 8.845 -6.336 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.646 11.456 -5.077 1.00 0.00 H new ATOM 0 HH22 ARG A 64 12.003 11.033 -6.126 1.00 0.00 H new ATOM 1080 N SER A 65 8.365 7.201 0.849 1.00 0.00 N ATOM 1081 CA SER A 65 7.725 8.040 1.856 1.00 0.00 C ATOM 1082 C SER A 65 8.726 8.463 2.927 1.00 0.00 C ATOM 1083 O SER A 65 8.726 9.609 3.374 1.00 0.00 O ATOM 1084 CB SER A 65 6.555 7.295 2.501 1.00 0.00 C ATOM 1085 OG SER A 65 5.432 7.264 1.637 1.00 0.00 O ATOM 0 H SER A 65 7.953 6.273 0.749 1.00 0.00 H new ATOM 0 HA SER A 65 7.349 8.936 1.362 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.858 6.277 2.745 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.283 7.780 3.439 1.00 0.00 H new ATOM 0 HG SER A 65 4.698 6.781 2.071 1.00 0.00 H new ATOM 1091 N GLY A 66 9.578 7.527 3.334 1.00 0.00 N ATOM 1092 CA GLY A 66 10.573 7.821 4.349 1.00 0.00 C ATOM 1093 C GLY A 66 11.683 8.715 3.833 1.00 0.00 C ATOM 1094 O GLY A 66 11.834 8.919 2.628 1.00 0.00 O ATOM 0 H GLY A 66 9.597 6.571 2.979 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.089 8.302 5.199 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.002 6.888 4.713 1.00 0.00 H new ATOM 1098 N PRO A 67 12.482 9.268 4.757 1.00 0.00 N ATOM 1099 CA PRO A 67 13.596 10.155 4.412 1.00 0.00 C ATOM 1100 C PRO A 67 14.738 9.412 3.728 1.00 0.00 C ATOM 1101 O PRO A 67 15.297 8.466 4.283 1.00 0.00 O ATOM 1102 CB PRO A 67 14.049 10.700 5.769 1.00 0.00 C ATOM 1103 CG PRO A 67 13.630 9.662 6.753 1.00 0.00 C ATOM 1104 CD PRO A 67 12.359 9.068 6.211 1.00 0.00 C ATOM 0 HA PRO A 67 13.297 10.929 3.705 1.00 0.00 H new ATOM 0 HB2 PRO A 67 15.128 10.856 5.793 1.00 0.00 H new ATOM 0 HB3 PRO A 67 13.583 11.661 5.985 1.00 0.00 H new ATOM 0 HG2 PRO A 67 14.400 8.899 6.867 1.00 0.00 H new ATOM 0 HG3 PRO A 67 13.467 10.100 7.738 1.00 0.00 H new ATOM 0 HD2 PRO A 67 12.269 8.012 6.465 1.00 0.00 H new ATOM 0 HD3 PRO A 67 11.478 9.569 6.612 1.00 0.00 H new ATOM 1112 N SER A 68 15.081 9.846 2.519 1.00 0.00 N ATOM 1113 CA SER A 68 16.155 9.220 1.758 1.00 0.00 C ATOM 1114 C SER A 68 17.457 10.001 1.911 1.00 0.00 C ATOM 1115 O SER A 68 17.492 11.215 1.713 1.00 0.00 O ATOM 1116 CB SER A 68 15.773 9.127 0.279 1.00 0.00 C ATOM 1117 OG SER A 68 16.894 8.778 -0.516 1.00 0.00 O ATOM 0 H SER A 68 14.630 10.629 2.046 1.00 0.00 H new ATOM 0 HA SER A 68 16.307 8.215 2.151 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.986 8.384 0.149 1.00 0.00 H new ATOM 0 HB3 SER A 68 15.369 10.082 -0.056 1.00 0.00 H new ATOM 0 HG SER A 68 16.624 8.723 -1.456 1.00 0.00 H new ATOM 1123 N SER A 69 18.526 9.294 2.264 1.00 0.00 N ATOM 1124 CA SER A 69 19.830 9.920 2.447 1.00 0.00 C ATOM 1125 C SER A 69 20.824 9.421 1.403 1.00 0.00 C ATOM 1126 O SER A 69 21.425 8.359 1.560 1.00 0.00 O ATOM 1127 CB SER A 69 20.362 9.635 3.853 1.00 0.00 C ATOM 1128 OG SER A 69 20.405 8.242 4.110 1.00 0.00 O ATOM 0 H SER A 69 18.514 8.287 2.429 1.00 0.00 H new ATOM 0 HA SER A 69 19.710 10.996 2.323 1.00 0.00 H new ATOM 0 HB2 SER A 69 21.361 10.059 3.960 1.00 0.00 H new ATOM 0 HB3 SER A 69 19.727 10.125 4.591 1.00 0.00 H new ATOM 0 HG SER A 69 20.784 7.778 3.334 1.00 0.00 H new ATOM 1134 N GLY A 70 20.991 10.196 0.336 1.00 0.00 N ATOM 1135 CA GLY A 70 21.913 9.816 -0.719 1.00 0.00 C ATOM 1136 C GLY A 70 23.321 10.319 -0.467 1.00 0.00 C ATOM 1137 O GLY A 70 23.537 11.518 -0.293 1.00 0.00 O ATOM 0 H GLY A 70 20.505 11.080 0.183 1.00 0.00 H new ATOM 0 HA2 GLY A 70 21.929 8.730 -0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 70 21.554 10.210 -1.670 1.00 0.00 H new TER 1141 GLY A 70