USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 590 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= -0.482 (180deg=-0.494) USER MOD Single : A 2 SER OG : rot 180:sc= -0.821! USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0.0221 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0623 USER MOD Single : A 19 ASN : amide:sc= -4.39! C(o=-4.4!,f=-5.9!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.19! USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.52) USER MOD Single : A 30 HIS :FLIP no HD1:sc= -0.843 F(o=-1.5,f=-0.84) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -6.68! C(o=-6.7!,f=-18!) USER MOD Single : A 37 SER OG : rot 180:sc= 0.461 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 168:sc= -0.363 (180deg=-0.803) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -1.19 F(o=-3.4!,f=-1.2) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -165:sc= -0.095 (180deg=-0.566) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 18:sc= 0.904 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0448 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.379 23.315 2.258 1.00 0.00 N ATOM 2 CA MET A 1 -8.837 22.268 1.314 1.00 0.00 C ATOM 3 C MET A 1 -8.449 20.888 1.837 1.00 0.00 C ATOM 4 O MET A 1 -8.240 19.965 1.073 1.00 0.00 O ATOM 5 CB MET A 1 -8.177 22.480 -0.060 1.00 0.00 C ATOM 6 CG MET A 1 -8.748 23.751 -0.700 1.00 0.00 C ATOM 7 SD MET A 1 -8.289 24.100 -2.416 1.00 0.00 S ATOM 8 CE MET A 1 -9.423 25.489 -2.675 1.00 0.00 C ATOM 0 H1 MET A 1 -8.632 24.253 1.886 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.836 23.174 3.181 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.347 23.254 2.370 1.00 0.00 H new ATOM 0 HA MET A 1 -9.921 22.334 1.219 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.096 22.568 0.052 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.362 21.619 -0.703 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.835 23.695 -0.647 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.442 24.601 -0.090 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.307 25.869 -3.690 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.449 25.153 -2.528 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.195 26.282 -1.963 1.00 0.00 H new ATOM 17 N SER A 2 -8.360 20.774 3.137 1.00 0.00 N ATOM 18 CA SER A 2 -7.987 19.467 3.736 1.00 0.00 C ATOM 19 C SER A 2 -6.596 19.035 3.281 1.00 0.00 C ATOM 20 O SER A 2 -5.846 19.824 2.743 1.00 0.00 O ATOM 21 CB SER A 2 -9.009 18.414 3.277 1.00 0.00 C ATOM 22 OG SER A 2 -10.148 19.176 2.900 1.00 0.00 O ATOM 0 H SER A 2 -8.529 21.528 3.803 1.00 0.00 H new ATOM 0 HA SER A 2 -7.982 19.563 4.822 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.628 17.827 2.441 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.246 17.713 4.077 1.00 0.00 H new ATOM 0 HG SER A 2 -10.856 18.574 2.589 1.00 0.00 H new ATOM 28 N LYS A 3 -6.280 17.787 3.505 1.00 0.00 N ATOM 29 CA LYS A 3 -4.943 17.286 3.093 1.00 0.00 C ATOM 30 C LYS A 3 -4.976 16.764 1.661 1.00 0.00 C ATOM 31 O LYS A 3 -6.024 16.430 1.144 1.00 0.00 O ATOM 32 CB LYS A 3 -4.547 16.136 4.034 1.00 0.00 C ATOM 33 CG LYS A 3 -4.148 16.719 5.393 1.00 0.00 C ATOM 34 CD LYS A 3 -3.644 15.594 6.300 1.00 0.00 C ATOM 35 CE LYS A 3 -3.400 16.154 7.704 1.00 0.00 C ATOM 36 NZ LYS A 3 -2.550 15.223 8.499 1.00 0.00 N ATOM 0 H LYS A 3 -6.887 17.100 3.952 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.223 18.103 3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.379 15.442 4.152 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.718 15.570 3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.371 17.473 5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.002 17.217 5.853 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.375 14.786 6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.723 15.171 5.898 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.915 17.128 7.634 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.353 16.308 8.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.395 15.619 9.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.027 14.302 8.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.634 15.097 8.023 1.00 0.00 H new ATOM 50 N GLU A 4 -3.822 16.704 1.046 1.00 0.00 N ATOM 51 CA GLU A 4 -3.761 16.207 -0.352 1.00 0.00 C ATOM 52 C GLU A 4 -2.482 15.406 -0.591 1.00 0.00 C ATOM 53 O GLU A 4 -2.257 14.390 0.038 1.00 0.00 O ATOM 54 CB GLU A 4 -3.770 17.420 -1.296 1.00 0.00 C ATOM 55 CG GLU A 4 -5.177 18.014 -1.333 1.00 0.00 C ATOM 56 CD GLU A 4 -6.136 16.994 -1.946 1.00 0.00 C ATOM 57 OE1 GLU A 4 -6.075 16.853 -3.157 1.00 0.00 O ATOM 58 OE2 GLU A 4 -6.874 16.410 -1.170 1.00 0.00 O ATOM 0 H GLU A 4 -2.927 16.977 1.453 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.617 15.558 -0.537 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.055 18.168 -0.954 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.462 17.119 -2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.501 18.276 -0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.182 18.933 -1.919 1.00 0.00 H new ATOM 65 N ASP A 5 -1.665 15.879 -1.499 1.00 0.00 N ATOM 66 CA ASP A 5 -0.398 15.158 -1.792 1.00 0.00 C ATOM 67 C ASP A 5 0.662 16.118 -2.323 1.00 0.00 C ATOM 68 O ASP A 5 1.185 15.930 -3.404 1.00 0.00 O ATOM 69 CB ASP A 5 -0.682 14.100 -2.869 1.00 0.00 C ATOM 70 CG ASP A 5 -1.800 13.172 -2.387 1.00 0.00 C ATOM 71 OD1 ASP A 5 -1.456 12.204 -1.730 1.00 0.00 O ATOM 72 OD2 ASP A 5 -2.937 13.484 -2.705 1.00 0.00 O ATOM 0 H ASP A 5 -1.822 16.727 -2.044 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.030 14.700 -0.874 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -0.972 14.583 -3.802 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.220 13.524 -3.076 1.00 0.00 H new ATOM 77 N SER A 6 0.958 17.130 -1.553 1.00 0.00 N ATOM 78 CA SER A 6 1.981 18.111 -1.997 1.00 0.00 C ATOM 79 C SER A 6 3.348 17.764 -1.424 1.00 0.00 C ATOM 80 O SER A 6 3.501 16.765 -0.748 1.00 0.00 O ATOM 81 CB SER A 6 1.567 19.499 -1.489 1.00 0.00 C ATOM 82 OG SER A 6 0.185 19.362 -1.197 1.00 0.00 O ATOM 0 H SER A 6 0.538 17.317 -0.643 1.00 0.00 H new ATOM 0 HA SER A 6 2.046 18.094 -3.085 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.135 19.785 -0.604 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.741 20.268 -2.242 1.00 0.00 H new ATOM 0 HG SER A 6 -0.164 20.214 -0.861 1.00 0.00 H new ATOM 88 N PHE A 7 4.320 18.597 -1.706 1.00 0.00 N ATOM 89 CA PHE A 7 5.685 18.337 -1.189 1.00 0.00 C ATOM 90 C PHE A 7 6.313 19.624 -0.690 1.00 0.00 C ATOM 91 O PHE A 7 5.755 20.687 -0.862 1.00 0.00 O ATOM 92 CB PHE A 7 6.538 17.775 -2.334 1.00 0.00 C ATOM 93 CG PHE A 7 6.363 16.255 -2.393 1.00 0.00 C ATOM 94 CD1 PHE A 7 7.199 15.424 -1.668 1.00 0.00 C ATOM 95 CD2 PHE A 7 5.363 15.692 -3.168 1.00 0.00 C ATOM 96 CE1 PHE A 7 7.038 14.054 -1.719 1.00 0.00 C ATOM 97 CE2 PHE A 7 5.205 14.321 -3.217 1.00 0.00 C ATOM 98 CZ PHE A 7 6.043 13.504 -2.493 1.00 0.00 C ATOM 0 H PHE A 7 4.221 19.441 -2.270 1.00 0.00 H new ATOM 0 HA PHE A 7 5.632 17.628 -0.363 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.239 18.225 -3.281 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.587 18.027 -2.179 1.00 0.00 H new ATOM 0 HD1 PHE A 7 7.982 15.850 -1.059 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.703 16.329 -3.738 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.695 13.413 -1.150 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.423 13.889 -3.824 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.919 12.432 -2.533 1.00 0.00 H new ATOM 108 N GLU A 8 7.464 19.505 -0.079 1.00 0.00 N ATOM 109 CA GLU A 8 8.153 20.715 0.445 1.00 0.00 C ATOM 110 C GLU A 8 9.631 20.697 0.079 1.00 0.00 C ATOM 111 O GLU A 8 10.275 19.669 0.141 1.00 0.00 O ATOM 112 CB GLU A 8 8.024 20.708 1.975 1.00 0.00 C ATOM 113 CG GLU A 8 8.574 19.385 2.511 1.00 0.00 C ATOM 114 CD GLU A 8 8.109 19.190 3.956 1.00 0.00 C ATOM 115 OE1 GLU A 8 8.598 19.936 4.786 1.00 0.00 O ATOM 116 OE2 GLU A 8 7.292 18.304 4.147 1.00 0.00 O ATOM 0 H GLU A 8 7.953 18.624 0.078 1.00 0.00 H new ATOM 0 HA GLU A 8 7.698 21.606 0.011 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.573 21.546 2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.981 20.828 2.266 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.229 18.557 1.891 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.663 19.386 2.465 1.00 0.00 H new ATOM 123 N MET A 9 10.144 21.837 -0.297 1.00 0.00 N ATOM 124 CA MET A 9 11.580 21.901 -0.670 1.00 0.00 C ATOM 125 C MET A 9 12.095 23.335 -0.617 1.00 0.00 C ATOM 126 O MET A 9 11.365 24.267 -0.880 1.00 0.00 O ATOM 127 CB MET A 9 11.729 21.375 -2.104 1.00 0.00 C ATOM 128 CG MET A 9 13.180 20.958 -2.333 1.00 0.00 C ATOM 129 SD MET A 9 13.839 19.641 -1.280 1.00 0.00 S ATOM 130 CE MET A 9 15.465 19.514 -2.062 1.00 0.00 C ATOM 0 H MET A 9 9.634 22.718 -0.361 1.00 0.00 H new ATOM 0 HA MET A 9 12.157 21.300 0.033 1.00 0.00 H new ATOM 0 HB2 MET A 9 11.064 20.527 -2.265 1.00 0.00 H new ATOM 0 HB3 MET A 9 11.441 22.146 -2.819 1.00 0.00 H new ATOM 0 HG2 MET A 9 13.281 20.642 -3.371 1.00 0.00 H new ATOM 0 HG3 MET A 9 13.809 21.839 -2.205 1.00 0.00 H new ATOM 0 HE1 MET A 9 16.051 18.744 -1.560 1.00 0.00 H new ATOM 0 HE2 MET A 9 15.344 19.250 -3.113 1.00 0.00 H new ATOM 0 HE3 MET A 9 15.981 20.471 -1.985 1.00 0.00 H new ATOM 140 N GLU A 10 13.348 23.484 -0.282 1.00 0.00 N ATOM 141 CA GLU A 10 13.927 24.850 -0.207 1.00 0.00 C ATOM 142 C GLU A 10 14.578 25.242 -1.529 1.00 0.00 C ATOM 143 O GLU A 10 15.135 24.412 -2.220 1.00 0.00 O ATOM 144 CB GLU A 10 15.006 24.865 0.891 1.00 0.00 C ATOM 145 CG GLU A 10 14.438 24.259 2.175 1.00 0.00 C ATOM 146 CD GLU A 10 15.585 23.690 3.013 1.00 0.00 C ATOM 147 OE1 GLU A 10 16.646 24.290 2.954 1.00 0.00 O ATOM 148 OE2 GLU A 10 15.336 22.689 3.661 1.00 0.00 O ATOM 0 H GLU A 10 13.990 22.723 -0.059 1.00 0.00 H new ATOM 0 HA GLU A 10 13.127 25.557 0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.879 24.300 0.565 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.338 25.887 1.075 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.899 25.018 2.742 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.722 23.473 1.935 1.00 0.00 H new ATOM 155 N GLY A 11 14.496 26.504 -1.856 1.00 0.00 N ATOM 156 CA GLY A 11 15.107 26.977 -3.133 1.00 0.00 C ATOM 157 C GLY A 11 15.429 28.470 -3.025 1.00 0.00 C ATOM 158 O GLY A 11 15.190 29.074 -1.999 1.00 0.00 O ATOM 0 H GLY A 11 14.036 27.224 -1.299 1.00 0.00 H new ATOM 0 HA2 GLY A 11 16.015 26.413 -3.344 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.422 26.801 -3.963 1.00 0.00 H new ATOM 162 N THR A 12 15.964 29.032 -4.087 1.00 0.00 N ATOM 163 CA THR A 12 16.305 30.483 -4.063 1.00 0.00 C ATOM 164 C THR A 12 15.427 31.227 -5.046 1.00 0.00 C ATOM 165 O THR A 12 15.015 30.669 -6.036 1.00 0.00 O ATOM 166 CB THR A 12 17.769 30.648 -4.480 1.00 0.00 C ATOM 167 OG1 THR A 12 18.526 30.041 -3.451 1.00 0.00 O ATOM 168 CG2 THR A 12 18.182 32.124 -4.444 1.00 0.00 C ATOM 0 H THR A 12 16.176 28.548 -4.960 1.00 0.00 H new ATOM 0 HA THR A 12 16.148 30.883 -3.061 1.00 0.00 H new ATOM 0 HB THR A 12 17.917 30.233 -5.477 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.480 30.112 -3.661 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.226 32.217 -4.744 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.555 32.694 -5.130 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.059 32.512 -3.433 1.00 0.00 H new ATOM 176 N VAL A 13 15.167 32.479 -4.768 1.00 0.00 N ATOM 177 CA VAL A 13 14.282 33.275 -5.727 1.00 0.00 C ATOM 178 C VAL A 13 15.009 34.294 -6.586 1.00 0.00 C ATOM 179 O VAL A 13 15.364 35.338 -6.114 1.00 0.00 O ATOM 180 CB VAL A 13 13.279 34.070 -4.905 1.00 0.00 C ATOM 181 CG1 VAL A 13 12.416 34.900 -5.851 1.00 0.00 C ATOM 182 CG2 VAL A 13 12.385 33.080 -4.140 1.00 0.00 C ATOM 0 H VAL A 13 15.507 32.987 -3.952 1.00 0.00 H new ATOM 0 HA VAL A 13 13.842 32.532 -6.392 1.00 0.00 H new ATOM 0 HB VAL A 13 13.794 34.728 -4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.692 35.475 -5.273 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.050 35.581 -6.419 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.888 34.238 -6.537 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.658 33.632 -3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.861 32.440 -4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.001 32.466 -3.483 1.00 0.00 H new ATOM 192 N VAL A 14 15.155 34.006 -7.870 1.00 0.00 N ATOM 193 CA VAL A 14 15.845 34.969 -8.729 1.00 0.00 C ATOM 194 C VAL A 14 15.154 35.006 -10.083 1.00 0.00 C ATOM 195 O VAL A 14 15.558 34.384 -11.041 1.00 0.00 O ATOM 196 CB VAL A 14 17.296 34.490 -8.908 1.00 0.00 C ATOM 197 CG1 VAL A 14 18.230 35.699 -8.951 1.00 0.00 C ATOM 198 CG2 VAL A 14 17.681 33.596 -7.731 1.00 0.00 C ATOM 0 H VAL A 14 14.825 33.157 -8.329 1.00 0.00 H new ATOM 0 HA VAL A 14 15.827 35.965 -8.287 1.00 0.00 H new ATOM 0 HB VAL A 14 17.383 33.930 -9.839 1.00 0.00 H new ATOM 0 HG11 VAL A 14 19.258 35.360 -9.078 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.954 36.342 -9.787 1.00 0.00 H new ATOM 0 HG13 VAL A 14 18.145 36.258 -8.019 1.00 0.00 H new ATOM 0 HG21 VAL A 14 18.709 33.255 -7.854 1.00 0.00 H new ATOM 0 HG22 VAL A 14 17.595 34.160 -6.802 1.00 0.00 H new ATOM 0 HG23 VAL A 14 17.014 32.734 -7.695 1.00 0.00 H new ATOM 208 N ASP A 15 14.130 35.775 -10.092 1.00 0.00 N ATOM 209 CA ASP A 15 13.293 35.981 -11.302 1.00 0.00 C ATOM 210 C ASP A 15 12.084 36.808 -10.912 1.00 0.00 C ATOM 211 O ASP A 15 11.500 36.557 -9.872 1.00 0.00 O ATOM 212 CB ASP A 15 12.788 34.648 -11.829 1.00 0.00 C ATOM 213 CG ASP A 15 11.968 34.895 -13.096 1.00 0.00 C ATOM 214 OD1 ASP A 15 10.785 35.120 -12.935 1.00 0.00 O ATOM 215 OD2 ASP A 15 12.576 34.843 -14.153 1.00 0.00 O ATOM 0 H ASP A 15 13.814 36.300 -9.276 1.00 0.00 H new ATOM 0 HA ASP A 15 13.891 36.477 -12.067 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.627 33.986 -12.046 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.177 34.152 -11.075 1.00 0.00 H new ATOM 220 N THR A 16 11.700 37.742 -11.733 1.00 0.00 N ATOM 221 CA THR A 16 10.509 38.577 -11.378 1.00 0.00 C ATOM 222 C THR A 16 9.487 38.594 -12.506 1.00 0.00 C ATOM 223 O THR A 16 9.676 39.246 -13.513 1.00 0.00 O ATOM 224 CB THR A 16 10.988 40.011 -11.106 1.00 0.00 C ATOM 225 OG1 THR A 16 9.941 40.855 -11.547 1.00 0.00 O ATOM 226 CG2 THR A 16 12.178 40.367 -12.009 1.00 0.00 C ATOM 0 H THR A 16 12.147 37.966 -12.622 1.00 0.00 H new ATOM 0 HA THR A 16 10.029 38.151 -10.497 1.00 0.00 H new ATOM 0 HB THR A 16 11.258 40.114 -10.055 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.190 41.791 -11.397 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.501 41.387 -11.800 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.001 39.679 -11.815 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.878 40.289 -13.054 1.00 0.00 H new ATOM 234 N LEU A 17 8.415 37.869 -12.307 1.00 0.00 N ATOM 235 CA LEU A 17 7.359 37.819 -13.343 1.00 0.00 C ATOM 236 C LEU A 17 6.274 38.866 -13.020 1.00 0.00 C ATOM 237 O LEU A 17 6.264 39.420 -11.932 1.00 0.00 O ATOM 238 CB LEU A 17 6.747 36.423 -13.313 1.00 0.00 C ATOM 239 CG LEU A 17 7.813 35.409 -13.714 1.00 0.00 C ATOM 240 CD1 LEU A 17 7.155 34.064 -13.903 1.00 0.00 C ATOM 241 CD2 LEU A 17 8.470 35.825 -15.033 1.00 0.00 C ATOM 0 H LEU A 17 8.233 37.313 -11.471 1.00 0.00 H new ATOM 0 HA LEU A 17 7.774 38.034 -14.328 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.369 36.198 -12.316 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.899 36.368 -13.995 1.00 0.00 H new ATOM 0 HG LEU A 17 8.573 35.360 -12.935 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.906 33.329 -14.190 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.683 33.755 -12.970 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.399 34.135 -14.685 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.229 35.093 -15.308 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.714 35.875 -15.816 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.936 36.803 -14.915 1.00 0.00 H new ATOM 253 N PRO A 18 5.332 39.090 -13.939 1.00 0.00 N ATOM 254 CA PRO A 18 4.287 40.069 -13.690 1.00 0.00 C ATOM 255 C PRO A 18 3.019 39.400 -13.182 1.00 0.00 C ATOM 256 O PRO A 18 2.846 38.204 -13.317 1.00 0.00 O ATOM 257 CB PRO A 18 4.002 40.655 -15.087 1.00 0.00 C ATOM 258 CG PRO A 18 4.573 39.629 -16.125 1.00 0.00 C ATOM 259 CD PRO A 18 5.362 38.573 -15.319 1.00 0.00 C ATOM 0 HA PRO A 18 4.588 40.805 -12.944 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.932 40.802 -15.235 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.477 41.629 -15.203 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.767 39.161 -16.690 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.220 40.128 -16.846 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.899 37.589 -15.388 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.383 38.471 -15.686 1.00 0.00 H new ATOM 267 N ASN A 19 2.174 40.199 -12.580 1.00 0.00 N ATOM 268 CA ASN A 19 0.895 39.680 -12.029 1.00 0.00 C ATOM 269 C ASN A 19 1.157 39.029 -10.682 1.00 0.00 C ATOM 270 O ASN A 19 0.403 38.192 -10.231 1.00 0.00 O ATOM 271 CB ASN A 19 0.284 38.636 -12.989 1.00 0.00 C ATOM 272 CG ASN A 19 0.653 38.978 -14.433 1.00 0.00 C ATOM 273 OD1 ASN A 19 0.708 40.131 -14.813 1.00 0.00 O ATOM 274 ND2 ASN A 19 0.912 38.007 -15.266 1.00 0.00 N ATOM 0 H ASN A 19 2.322 41.200 -12.448 1.00 0.00 H new ATOM 0 HA ASN A 19 0.196 40.508 -11.913 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.649 37.640 -12.737 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.800 38.616 -12.876 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.160 38.217 -16.233 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.867 37.038 -14.950 1.00 0.00 H new ATOM 281 N THR A 20 2.242 39.440 -10.064 1.00 0.00 N ATOM 282 CA THR A 20 2.606 38.880 -8.739 1.00 0.00 C ATOM 283 C THR A 20 3.181 37.471 -8.876 1.00 0.00 C ATOM 284 O THR A 20 2.636 36.522 -8.347 1.00 0.00 O ATOM 285 CB THR A 20 1.340 38.837 -7.863 1.00 0.00 C ATOM 286 OG1 THR A 20 0.536 39.905 -8.321 1.00 0.00 O ATOM 287 CG2 THR A 20 1.670 39.203 -6.410 1.00 0.00 C ATOM 0 H THR A 20 2.887 40.141 -10.429 1.00 0.00 H new ATOM 0 HA THR A 20 3.368 39.512 -8.283 1.00 0.00 H new ATOM 0 HB THR A 20 0.887 37.847 -7.915 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.295 39.935 -7.802 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.761 39.166 -5.810 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.396 38.494 -6.012 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.088 40.209 -6.374 1.00 0.00 H new ATOM 295 N MET A 21 4.283 37.353 -9.587 1.00 0.00 N ATOM 296 CA MET A 21 4.888 36.004 -9.755 1.00 0.00 C ATOM 297 C MET A 21 6.414 36.082 -9.809 1.00 0.00 C ATOM 298 O MET A 21 6.976 37.085 -10.203 1.00 0.00 O ATOM 299 CB MET A 21 4.373 35.413 -11.080 1.00 0.00 C ATOM 300 CG MET A 21 2.994 34.786 -10.856 1.00 0.00 C ATOM 301 SD MET A 21 2.871 33.449 -9.644 1.00 0.00 S ATOM 302 CE MET A 21 1.397 32.655 -10.334 1.00 0.00 C ATOM 0 H MET A 21 4.775 38.120 -10.046 1.00 0.00 H new ATOM 0 HA MET A 21 4.609 35.381 -8.905 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.311 36.193 -11.839 1.00 0.00 H new ATOM 0 HB3 MET A 21 5.070 34.662 -11.451 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.309 35.578 -10.553 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.638 34.406 -11.813 1.00 0.00 H new ATOM 0 HE1 MET A 21 1.135 31.786 -9.730 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.568 33.362 -10.331 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.600 32.338 -11.357 1.00 0.00 H new ATOM 312 N PHE A 22 7.051 35.014 -9.406 1.00 0.00 N ATOM 313 CA PHE A 22 8.530 34.986 -9.420 1.00 0.00 C ATOM 314 C PHE A 22 9.008 33.553 -9.666 1.00 0.00 C ATOM 315 O PHE A 22 8.257 32.617 -9.465 1.00 0.00 O ATOM 316 CB PHE A 22 9.040 35.446 -8.044 1.00 0.00 C ATOM 317 CG PHE A 22 8.113 36.532 -7.489 1.00 0.00 C ATOM 318 CD1 PHE A 22 6.883 36.198 -6.946 1.00 0.00 C ATOM 319 CD2 PHE A 22 8.495 37.863 -7.516 1.00 0.00 C ATOM 320 CE1 PHE A 22 6.053 37.178 -6.439 1.00 0.00 C ATOM 321 CE2 PHE A 22 7.662 38.839 -7.007 1.00 0.00 C ATOM 322 CZ PHE A 22 6.444 38.496 -6.470 1.00 0.00 C ATOM 0 H PHE A 22 6.604 34.162 -9.068 1.00 0.00 H new ATOM 0 HA PHE A 22 8.906 35.640 -10.207 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.078 34.600 -7.358 1.00 0.00 H new ATOM 0 HB3 PHE A 22 10.056 35.831 -8.132 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.571 35.164 -6.919 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.450 38.139 -7.938 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.096 36.909 -6.018 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.968 39.874 -7.031 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.794 39.262 -6.072 1.00 0.00 H new ATOM 332 N ARG A 23 10.243 33.404 -10.088 1.00 0.00 N ATOM 333 CA ARG A 23 10.769 32.011 -10.347 1.00 0.00 C ATOM 334 C ARG A 23 11.754 31.628 -9.271 1.00 0.00 C ATOM 335 O ARG A 23 12.639 32.403 -8.941 1.00 0.00 O ATOM 336 CB ARG A 23 11.513 31.981 -11.716 1.00 0.00 C ATOM 337 CG ARG A 23 11.362 30.607 -12.392 1.00 0.00 C ATOM 338 CD ARG A 23 11.108 30.816 -13.886 1.00 0.00 C ATOM 339 NE ARG A 23 12.012 31.889 -14.385 1.00 0.00 N ATOM 340 CZ ARG A 23 11.846 32.358 -15.592 1.00 0.00 C ATOM 341 NH1 ARG A 23 10.698 32.895 -15.911 1.00 0.00 N ATOM 342 NH2 ARG A 23 12.832 32.272 -16.441 1.00 0.00 N ATOM 0 H ARG A 23 10.901 34.163 -10.263 1.00 0.00 H new ATOM 0 HA ARG A 23 9.930 31.315 -10.354 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.114 32.758 -12.368 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.570 32.203 -11.565 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.263 30.012 -12.242 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.537 30.054 -11.943 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.286 29.889 -14.432 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.067 31.091 -14.056 1.00 0.00 H new ATOM 0 HE ARG A 23 12.755 32.254 -13.789 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.948 32.943 -15.221 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.552 33.266 -16.850 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.713 31.844 -16.157 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.722 32.633 -17.389 1.00 0.00 H new ATOM 356 N VAL A 24 11.596 30.437 -8.742 1.00 0.00 N ATOM 357 CA VAL A 24 12.513 29.987 -7.692 1.00 0.00 C ATOM 358 C VAL A 24 13.349 28.893 -8.271 1.00 0.00 C ATOM 359 O VAL A 24 12.830 27.967 -8.862 1.00 0.00 O ATOM 360 CB VAL A 24 11.697 29.488 -6.492 1.00 0.00 C ATOM 361 CG1 VAL A 24 10.888 28.279 -6.891 1.00 0.00 C ATOM 362 CG2 VAL A 24 12.649 29.112 -5.350 1.00 0.00 C ATOM 0 H VAL A 24 10.868 29.772 -9.003 1.00 0.00 H new ATOM 0 HA VAL A 24 13.157 30.795 -7.345 1.00 0.00 H new ATOM 0 HB VAL A 24 11.022 30.278 -6.162 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.311 27.929 -6.035 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.210 28.546 -7.701 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.558 27.487 -7.225 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.071 28.757 -4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.324 28.324 -5.684 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.229 29.987 -5.057 1.00 0.00 H new ATOM 372 N GLU A 25 14.627 28.997 -8.097 1.00 0.00 N ATOM 373 CA GLU A 25 15.497 27.960 -8.655 1.00 0.00 C ATOM 374 C GLU A 25 15.820 26.848 -7.685 1.00 0.00 C ATOM 375 O GLU A 25 16.288 27.054 -6.584 1.00 0.00 O ATOM 376 CB GLU A 25 16.809 28.628 -9.078 1.00 0.00 C ATOM 377 CG GLU A 25 16.520 29.635 -10.192 1.00 0.00 C ATOM 378 CD GLU A 25 16.685 31.056 -9.648 1.00 0.00 C ATOM 379 OE1 GLU A 25 15.699 31.557 -9.135 1.00 0.00 O ATOM 380 OE2 GLU A 25 17.789 31.559 -9.776 1.00 0.00 O ATOM 0 H GLU A 25 15.098 29.751 -7.596 1.00 0.00 H new ATOM 0 HA GLU A 25 14.965 27.504 -9.490 1.00 0.00 H new ATOM 0 HB2 GLU A 25 17.267 29.131 -8.226 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.519 27.877 -9.425 1.00 0.00 H new ATOM 0 HG2 GLU A 25 17.199 29.473 -11.029 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.508 29.494 -10.571 1.00 0.00 H new ATOM 387 N LEU A 26 15.551 25.700 -8.158 1.00 0.00 N ATOM 388 CA LEU A 26 15.772 24.476 -7.441 1.00 0.00 C ATOM 389 C LEU A 26 16.828 23.817 -8.260 1.00 0.00 C ATOM 390 O LEU A 26 16.804 22.628 -8.504 1.00 0.00 O ATOM 391 CB LEU A 26 14.476 23.643 -7.394 1.00 0.00 C ATOM 392 CG LEU A 26 13.492 24.338 -6.449 1.00 0.00 C ATOM 393 CD1 LEU A 26 12.061 23.865 -6.743 1.00 0.00 C ATOM 394 CD2 LEU A 26 13.844 23.989 -4.993 1.00 0.00 C ATOM 0 H LEU A 26 15.156 25.561 -9.088 1.00 0.00 H new ATOM 0 HA LEU A 26 16.065 24.609 -6.399 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.046 23.554 -8.391 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.687 22.632 -7.046 1.00 0.00 H new ATOM 0 HG LEU A 26 13.558 25.416 -6.599 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.367 24.364 -6.067 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.802 24.108 -7.773 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.997 22.787 -6.598 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.143 24.484 -4.321 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.781 22.910 -4.852 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.857 24.325 -4.773 1.00 0.00 H new ATOM 406 N GLU A 27 17.703 24.713 -8.772 1.00 0.00 N ATOM 407 CA GLU A 27 18.849 24.320 -9.642 1.00 0.00 C ATOM 408 C GLU A 27 19.468 23.032 -9.232 1.00 0.00 C ATOM 409 O GLU A 27 20.386 22.556 -9.875 1.00 0.00 O ATOM 410 CB GLU A 27 19.910 25.423 -9.556 1.00 0.00 C ATOM 411 CG GLU A 27 20.664 25.293 -8.229 1.00 0.00 C ATOM 412 CD GLU A 27 21.409 26.597 -7.941 1.00 0.00 C ATOM 413 OE1 GLU A 27 21.443 27.413 -8.849 1.00 0.00 O ATOM 414 OE2 GLU A 27 21.904 26.705 -6.832 1.00 0.00 O ATOM 0 H GLU A 27 17.642 25.717 -8.600 1.00 0.00 H new ATOM 0 HA GLU A 27 18.472 24.191 -10.656 1.00 0.00 H new ATOM 0 HB2 GLU A 27 20.604 25.342 -10.392 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.439 26.404 -9.626 1.00 0.00 H new ATOM 0 HG2 GLU A 27 19.966 25.073 -7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 27 21.368 24.462 -8.277 1.00 0.00 H new ATOM 421 N ASN A 28 19.001 22.479 -8.178 1.00 0.00 N ATOM 422 CA ASN A 28 19.559 21.215 -7.761 1.00 0.00 C ATOM 423 C ASN A 28 19.057 20.217 -8.814 1.00 0.00 C ATOM 424 O ASN A 28 18.934 19.032 -8.576 1.00 0.00 O ATOM 425 CB ASN A 28 18.994 20.839 -6.378 1.00 0.00 C ATOM 426 CG ASN A 28 19.074 22.056 -5.452 1.00 0.00 C ATOM 427 OD1 ASN A 28 19.994 22.846 -5.527 1.00 0.00 O ATOM 428 ND2 ASN A 28 18.133 22.242 -4.566 1.00 0.00 N ATOM 0 H ASN A 28 18.256 22.854 -7.591 1.00 0.00 H new ATOM 0 HA ASN A 28 20.646 21.233 -7.683 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.960 20.507 -6.473 1.00 0.00 H new ATOM 0 HB3 ASN A 28 19.559 20.008 -5.955 1.00 0.00 H new ATOM 0 HD21 ASN A 28 18.173 23.047 -3.941 1.00 0.00 H new ATOM 0 HD22 ASN A 28 17.358 21.582 -4.499 1.00 0.00 H new ATOM 435 N GLY A 29 18.776 20.786 -9.994 1.00 0.00 N ATOM 436 CA GLY A 29 18.277 20.010 -11.141 1.00 0.00 C ATOM 437 C GLY A 29 16.835 20.462 -11.532 1.00 0.00 C ATOM 438 O GLY A 29 16.370 20.116 -12.601 1.00 0.00 O ATOM 0 H GLY A 29 18.886 21.783 -10.181 1.00 0.00 H new ATOM 0 HA2 GLY A 29 18.946 20.139 -11.992 1.00 0.00 H new ATOM 0 HA3 GLY A 29 18.276 18.948 -10.894 1.00 0.00 H new ATOM 442 N HIS A 30 16.154 21.227 -10.658 1.00 0.00 N ATOM 443 CA HIS A 30 14.755 21.679 -11.006 1.00 0.00 C ATOM 444 C HIS A 30 14.556 23.222 -10.936 1.00 0.00 C ATOM 445 O HIS A 30 15.279 23.918 -10.274 1.00 0.00 O ATOM 446 CB HIS A 30 13.785 21.011 -10.020 1.00 0.00 C ATOM 447 CG HIS A 30 12.383 20.983 -10.633 1.00 0.00 C ATOM 448 ND1 HIS A 30 11.185 21.430 -10.112 1.00 0.00 N flip ATOM 449 CD2 HIS A 30 12.104 20.525 -11.761 1.00 0.00 C flip ATOM 450 CE1 HIS A 30 10.192 21.200 -11.016 1.00 0.00 C flip ATOM 451 NE2 HIS A 30 10.866 20.632 -12.015 1.00 0.00 N flip ATOM 0 H HIS A 30 16.505 21.540 -9.753 1.00 0.00 H new ATOM 0 HA HIS A 30 14.567 21.390 -12.040 1.00 0.00 H new ATOM 0 HB2 HIS A 30 14.117 19.997 -9.795 1.00 0.00 H new ATOM 0 HB3 HIS A 30 13.772 21.558 -9.077 1.00 0.00 H new ATOM 0 HD2 HIS A 30 12.827 20.092 -12.436 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.137 21.420 -10.942 1.00 0.00 H new ATOM 0 HE2 HIS A 30 10.435 20.319 -12.885 1.00 0.00 H new ATOM 459 N VAL A 31 13.602 23.700 -11.695 1.00 0.00 N ATOM 460 CA VAL A 31 13.281 25.175 -11.726 1.00 0.00 C ATOM 461 C VAL A 31 11.754 25.304 -11.514 1.00 0.00 C ATOM 462 O VAL A 31 11.023 24.497 -12.049 1.00 0.00 O ATOM 463 CB VAL A 31 13.654 25.723 -13.118 1.00 0.00 C ATOM 464 CG1 VAL A 31 12.516 25.428 -14.098 1.00 0.00 C ATOM 465 CG2 VAL A 31 13.868 27.239 -13.041 1.00 0.00 C ATOM 0 H VAL A 31 13.019 23.128 -12.306 1.00 0.00 H new ATOM 0 HA VAL A 31 13.827 25.727 -10.961 1.00 0.00 H new ATOM 0 HB VAL A 31 14.573 25.244 -13.458 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.776 25.814 -15.084 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.359 24.351 -14.160 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.602 25.909 -13.749 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.131 27.620 -14.028 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.951 27.719 -12.700 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.674 27.458 -12.341 1.00 0.00 H new ATOM 475 N VAL A 32 11.270 26.291 -10.768 1.00 0.00 N ATOM 476 CA VAL A 32 9.791 26.366 -10.595 1.00 0.00 C ATOM 477 C VAL A 32 9.303 27.776 -10.435 1.00 0.00 C ATOM 478 O VAL A 32 10.061 28.686 -10.182 1.00 0.00 O ATOM 479 CB VAL A 32 9.415 25.618 -9.346 1.00 0.00 C ATOM 480 CG1 VAL A 32 7.966 25.189 -9.447 1.00 0.00 C ATOM 481 CG2 VAL A 32 10.299 24.377 -9.186 1.00 0.00 C ATOM 0 H VAL A 32 11.818 27.011 -10.297 1.00 0.00 H new ATOM 0 HA VAL A 32 9.337 25.939 -11.489 1.00 0.00 H new ATOM 0 HB VAL A 32 9.556 26.267 -8.482 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.684 24.645 -8.545 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.332 26.070 -9.553 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.838 24.543 -10.315 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.017 23.844 -8.278 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.166 23.722 -10.047 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.344 24.681 -9.119 1.00 0.00 H new ATOM 491 N THR A 33 8.019 27.906 -10.547 1.00 0.00 N ATOM 492 CA THR A 33 7.379 29.230 -10.417 1.00 0.00 C ATOM 493 C THR A 33 6.586 29.265 -9.132 1.00 0.00 C ATOM 494 O THR A 33 5.958 28.289 -8.772 1.00 0.00 O ATOM 495 CB THR A 33 6.424 29.418 -11.594 1.00 0.00 C ATOM 496 OG1 THR A 33 7.243 29.440 -12.745 1.00 0.00 O ATOM 497 CG2 THR A 33 5.766 30.806 -11.558 1.00 0.00 C ATOM 0 H THR A 33 7.375 27.135 -10.726 1.00 0.00 H new ATOM 0 HA THR A 33 8.132 30.018 -10.409 1.00 0.00 H new ATOM 0 HB THR A 33 5.663 28.638 -11.574 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.685 29.557 -13.542 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.092 30.911 -12.408 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.203 30.918 -10.632 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.536 31.575 -11.609 1.00 0.00 H new ATOM 505 N ALA A 34 6.616 30.372 -8.453 1.00 0.00 N ATOM 506 CA ALA A 34 5.852 30.439 -7.192 1.00 0.00 C ATOM 507 C ALA A 34 5.390 31.851 -6.906 1.00 0.00 C ATOM 508 O ALA A 34 5.719 32.771 -7.627 1.00 0.00 O ATOM 509 CB ALA A 34 6.763 29.982 -6.048 1.00 0.00 C ATOM 0 H ALA A 34 7.127 31.216 -8.712 1.00 0.00 H new ATOM 0 HA ALA A 34 4.975 29.798 -7.280 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.215 30.025 -5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.091 28.959 -6.231 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.633 30.637 -5.992 1.00 0.00 H new ATOM 515 N HIS A 35 4.635 31.990 -5.849 1.00 0.00 N ATOM 516 CA HIS A 35 4.125 33.328 -5.472 1.00 0.00 C ATOM 517 C HIS A 35 4.497 33.616 -4.031 1.00 0.00 C ATOM 518 O HIS A 35 4.277 32.800 -3.158 1.00 0.00 O ATOM 519 CB HIS A 35 2.593 33.319 -5.599 1.00 0.00 C ATOM 520 CG HIS A 35 2.054 34.719 -5.298 1.00 0.00 C ATOM 521 ND1 HIS A 35 2.284 35.361 -4.255 1.00 0.00 N ATOM 522 CD2 HIS A 35 1.244 35.533 -6.062 1.00 0.00 C ATOM 523 CE1 HIS A 35 1.711 36.492 -4.268 1.00 0.00 C ATOM 524 NE2 HIS A 35 1.018 36.696 -5.389 1.00 0.00 N ATOM 0 H HIS A 35 4.352 31.228 -5.232 1.00 0.00 H new ATOM 0 HA HIS A 35 4.556 34.090 -6.122 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.301 33.012 -6.604 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.163 32.595 -4.907 1.00 0.00 H new ATOM 0 HD1 HIS A 35 2.861 35.019 -3.487 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.852 35.288 -7.038 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.777 37.209 -3.463 1.00 0.00 H new ATOM 532 N ILE A 36 5.055 34.761 -3.798 1.00 0.00 N ATOM 533 CA ILE A 36 5.442 35.099 -2.412 1.00 0.00 C ATOM 534 C ILE A 36 4.214 35.234 -1.516 1.00 0.00 C ATOM 535 O ILE A 36 3.117 35.447 -1.988 1.00 0.00 O ATOM 536 CB ILE A 36 6.200 36.424 -2.437 1.00 0.00 C ATOM 537 CG1 ILE A 36 6.873 36.664 -1.093 1.00 0.00 C ATOM 538 CG2 ILE A 36 5.194 37.558 -2.698 1.00 0.00 C ATOM 539 CD1 ILE A 36 8.027 37.654 -1.281 1.00 0.00 C ATOM 0 H ILE A 36 5.259 35.472 -4.500 1.00 0.00 H new ATOM 0 HA ILE A 36 6.067 34.301 -2.010 1.00 0.00 H new ATOM 0 HB ILE A 36 6.959 36.395 -3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.152 37.058 -0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.246 35.724 -0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.719 38.513 -2.719 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.701 37.394 -3.656 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.448 37.572 -1.904 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.514 37.831 -0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.750 37.241 -1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.639 38.595 -1.670 1.00 0.00 H new ATOM 551 N SER A 37 4.428 35.108 -0.234 1.00 0.00 N ATOM 552 CA SER A 37 3.295 35.223 0.713 1.00 0.00 C ATOM 553 C SER A 37 2.943 36.680 1.003 1.00 0.00 C ATOM 554 O SER A 37 3.291 37.573 0.256 1.00 0.00 O ATOM 555 CB SER A 37 3.703 34.549 2.030 1.00 0.00 C ATOM 556 OG SER A 37 2.468 34.268 2.673 1.00 0.00 O ATOM 0 H SER A 37 5.338 34.931 0.192 1.00 0.00 H new ATOM 0 HA SER A 37 2.422 34.746 0.267 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.275 33.639 1.851 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.328 35.205 2.636 1.00 0.00 H new ATOM 0 HG SER A 37 2.639 33.829 3.532 1.00 0.00 H new ATOM 562 N GLY A 38 2.247 36.884 2.092 1.00 0.00 N ATOM 563 CA GLY A 38 1.845 38.270 2.473 1.00 0.00 C ATOM 564 C GLY A 38 3.006 39.006 3.150 1.00 0.00 C ATOM 565 O GLY A 38 2.903 40.181 3.456 1.00 0.00 O ATOM 0 H GLY A 38 1.940 36.152 2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.528 38.819 1.586 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.989 38.233 3.147 1.00 0.00 H new ATOM 569 N LYS A 39 4.083 38.302 3.379 1.00 0.00 N ATOM 570 CA LYS A 39 5.245 38.951 4.033 1.00 0.00 C ATOM 571 C LYS A 39 5.503 40.318 3.419 1.00 0.00 C ATOM 572 O LYS A 39 6.070 41.191 4.050 1.00 0.00 O ATOM 573 CB LYS A 39 6.483 38.064 3.811 1.00 0.00 C ATOM 574 CG LYS A 39 7.707 38.746 4.428 1.00 0.00 C ATOM 575 CD LYS A 39 8.670 37.677 4.953 1.00 0.00 C ATOM 576 CE LYS A 39 8.162 37.162 6.303 1.00 0.00 C ATOM 577 NZ LYS A 39 9.226 36.385 6.998 1.00 0.00 N ATOM 0 H LYS A 39 4.204 37.317 3.143 1.00 0.00 H new ATOM 0 HA LYS A 39 5.040 39.075 5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.330 37.085 4.265 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.642 37.900 2.745 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.205 39.367 3.684 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.400 39.406 5.240 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.743 36.855 4.241 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.671 38.094 5.063 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.851 38.001 6.925 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.284 36.534 6.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.865 36.043 7.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.504 35.574 6.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.053 36.995 7.159 1.00 0.00 H new ATOM 591 N MET A 40 5.074 40.485 2.199 1.00 0.00 N ATOM 592 CA MET A 40 5.282 41.786 1.528 1.00 0.00 C ATOM 593 C MET A 40 4.233 42.787 1.984 1.00 0.00 C ATOM 594 O MET A 40 4.497 43.969 2.086 1.00 0.00 O ATOM 595 CB MET A 40 5.148 41.578 0.012 1.00 0.00 C ATOM 596 CG MET A 40 6.542 41.400 -0.592 1.00 0.00 C ATOM 597 SD MET A 40 6.638 40.942 -2.340 1.00 0.00 S ATOM 598 CE MET A 40 5.135 41.793 -2.879 1.00 0.00 C ATOM 0 H MET A 40 4.592 39.778 1.645 1.00 0.00 H new ATOM 0 HA MET A 40 6.271 42.170 1.779 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.534 40.702 -0.195 1.00 0.00 H new ATOM 0 HB3 MET A 40 4.647 42.433 -0.442 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.089 42.333 -0.457 1.00 0.00 H new ATOM 0 HG3 MET A 40 7.065 40.638 -0.015 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.105 41.825 -3.968 1.00 0.00 H new ATOM 0 HE2 MET A 40 4.261 41.258 -2.508 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.132 42.810 -2.486 1.00 0.00 H new ATOM 608 N ARG A 41 3.053 42.294 2.247 1.00 0.00 N ATOM 609 CA ARG A 41 1.972 43.193 2.697 1.00 0.00 C ATOM 610 C ARG A 41 2.343 43.862 4.013 1.00 0.00 C ATOM 611 O ARG A 41 2.025 45.012 4.239 1.00 0.00 O ATOM 612 CB ARG A 41 0.707 42.350 2.913 1.00 0.00 C ATOM 613 CG ARG A 41 -0.496 43.093 2.336 1.00 0.00 C ATOM 614 CD ARG A 41 -1.780 42.359 2.735 1.00 0.00 C ATOM 615 NE ARG A 41 -1.967 42.476 4.208 1.00 0.00 N ATOM 616 CZ ARG A 41 -3.148 42.259 4.726 1.00 0.00 C ATOM 617 NH1 ARG A 41 -3.589 41.033 4.797 1.00 0.00 N ATOM 618 NH2 ARG A 41 -3.844 43.275 5.154 1.00 0.00 N ATOM 0 H ARG A 41 2.799 41.309 2.168 1.00 0.00 H new ATOM 0 HA ARG A 41 1.809 43.965 1.945 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.816 41.379 2.430 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.558 42.162 3.976 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.518 44.118 2.707 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.417 43.149 1.250 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.636 42.786 2.212 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.720 41.310 2.445 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.180 42.723 4.808 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.015 40.264 4.452 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.508 40.844 5.198 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.465 44.219 5.082 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.767 43.126 5.561 1.00 0.00 H new ATOM 632 N LYS A 42 3.008 43.126 4.859 1.00 0.00 N ATOM 633 CA LYS A 42 3.409 43.700 6.162 1.00 0.00 C ATOM 634 C LYS A 42 4.587 44.651 6.004 1.00 0.00 C ATOM 635 O LYS A 42 4.566 45.759 6.505 1.00 0.00 O ATOM 636 CB LYS A 42 3.823 42.550 7.093 1.00 0.00 C ATOM 637 CG LYS A 42 2.596 42.061 7.865 1.00 0.00 C ATOM 638 CD LYS A 42 2.576 42.718 9.247 1.00 0.00 C ATOM 639 CE LYS A 42 1.290 42.317 9.975 1.00 0.00 C ATOM 640 NZ LYS A 42 1.507 42.307 11.449 1.00 0.00 N ATOM 0 H LYS A 42 3.287 42.158 4.701 1.00 0.00 H new ATOM 0 HA LYS A 42 2.568 44.257 6.574 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.252 41.733 6.513 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.593 42.887 7.787 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.686 42.308 7.319 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.623 40.976 7.965 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.447 42.407 9.824 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.630 43.802 9.149 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.490 43.014 9.724 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.969 41.330 9.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.625 42.033 11.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.256 41.625 11.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.792 43.256 11.764 1.00 0.00 H new ATOM 654 N ASN A 43 5.596 44.206 5.308 1.00 0.00 N ATOM 655 CA ASN A 43 6.782 45.076 5.110 1.00 0.00 C ATOM 656 C ASN A 43 6.507 46.136 4.074 1.00 0.00 C ATOM 657 O ASN A 43 6.918 47.272 4.214 1.00 0.00 O ATOM 658 CB ASN A 43 7.951 44.205 4.630 1.00 0.00 C ATOM 659 CG ASN A 43 9.269 44.825 5.100 1.00 0.00 C ATOM 660 OD1 ASN A 43 9.543 46.058 4.771 1.00 0.00 O flip ATOM 661 ND2 ASN A 43 10.060 44.193 5.774 1.00 0.00 N flip ATOM 0 H ASN A 43 5.649 43.285 4.872 1.00 0.00 H new ATOM 0 HA ASN A 43 7.021 45.567 6.053 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.851 43.193 5.023 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.939 44.127 3.543 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.852 43.229 6.035 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.931 44.627 6.079 1.00 0.00 H new ATOM 668 N TYR A 44 5.820 45.757 3.050 1.00 0.00 N ATOM 669 CA TYR A 44 5.508 46.727 1.996 1.00 0.00 C ATOM 670 C TYR A 44 6.768 47.121 1.232 1.00 0.00 C ATOM 671 O TYR A 44 6.918 48.247 0.803 1.00 0.00 O ATOM 672 CB TYR A 44 4.894 47.974 2.655 1.00 0.00 C ATOM 673 CG TYR A 44 3.652 48.398 1.870 1.00 0.00 C ATOM 674 CD1 TYR A 44 2.635 47.497 1.629 1.00 0.00 C ATOM 675 CD2 TYR A 44 3.529 49.687 1.389 1.00 0.00 C ATOM 676 CE1 TYR A 44 1.513 47.878 0.922 1.00 0.00 C ATOM 677 CE2 TYR A 44 2.407 50.067 0.680 1.00 0.00 C ATOM 678 CZ TYR A 44 1.390 49.165 0.442 1.00 0.00 C ATOM 679 OH TYR A 44 0.270 49.545 -0.268 1.00 0.00 O ATOM 0 H TYR A 44 5.461 44.814 2.900 1.00 0.00 H new ATOM 0 HA TYR A 44 4.808 46.282 1.289 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.629 47.760 3.690 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.621 48.785 2.674 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.718 46.485 1.997 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.317 50.403 1.569 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.724 47.162 0.743 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.325 51.078 0.309 1.00 0.00 H new ATOM 0 HH TYR A 44 0.351 50.486 -0.528 1.00 0.00 H new ATOM 689 N ILE A 45 7.651 46.173 1.071 1.00 0.00 N ATOM 690 CA ILE A 45 8.907 46.457 0.344 1.00 0.00 C ATOM 691 C ILE A 45 9.358 45.238 -0.451 1.00 0.00 C ATOM 692 O ILE A 45 9.441 44.146 0.075 1.00 0.00 O ATOM 693 CB ILE A 45 9.988 46.804 1.365 1.00 0.00 C ATOM 694 CG1 ILE A 45 9.574 48.032 2.160 1.00 0.00 C ATOM 695 CG2 ILE A 45 11.295 47.126 0.615 1.00 0.00 C ATOM 696 CD1 ILE A 45 10.690 48.386 3.145 1.00 0.00 C ATOM 0 H ILE A 45 7.551 45.217 1.413 1.00 0.00 H new ATOM 0 HA ILE A 45 8.740 47.284 -0.346 1.00 0.00 H new ATOM 0 HB ILE A 45 10.129 45.961 2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.385 48.869 1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.645 47.838 2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.075 47.376 1.334 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.603 46.258 0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 45 11.133 47.972 -0.052 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.402 49.266 3.720 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.857 47.548 3.822 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.607 48.596 2.595 1.00 0.00 H new ATOM 708 N ARG A 46 9.645 45.447 -1.705 1.00 0.00 N ATOM 709 CA ARG A 46 10.093 44.314 -2.548 1.00 0.00 C ATOM 710 C ARG A 46 11.154 43.495 -1.831 1.00 0.00 C ATOM 711 O ARG A 46 12.020 44.037 -1.173 1.00 0.00 O ATOM 712 CB ARG A 46 10.701 44.882 -3.836 1.00 0.00 C ATOM 713 CG ARG A 46 11.733 45.952 -3.468 1.00 0.00 C ATOM 714 CD ARG A 46 12.201 46.659 -4.739 1.00 0.00 C ATOM 715 NE ARG A 46 11.016 46.976 -5.581 1.00 0.00 N ATOM 716 CZ ARG A 46 11.176 47.190 -6.857 1.00 0.00 C ATOM 717 NH1 ARG A 46 12.385 47.203 -7.349 1.00 0.00 N ATOM 718 NH2 ARG A 46 10.121 47.383 -7.600 1.00 0.00 N ATOM 0 H ARG A 46 9.588 46.349 -2.177 1.00 0.00 H new ATOM 0 HA ARG A 46 9.240 43.671 -2.764 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.172 44.086 -4.413 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.920 45.311 -4.464 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.296 46.673 -2.777 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.582 45.496 -2.958 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.738 47.573 -4.485 1.00 0.00 H new ATOM 0 HD3 ARG A 46 12.895 46.024 -5.289 1.00 0.00 H new ATOM 0 HE ARG A 46 10.087 47.025 -5.164 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.186 47.047 -6.737 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.528 47.369 -8.345 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.191 47.365 -7.180 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.226 47.552 -8.600 1.00 0.00 H new ATOM 732 N ILE A 47 11.071 42.200 -1.967 1.00 0.00 N ATOM 733 CA ILE A 47 12.072 41.337 -1.298 1.00 0.00 C ATOM 734 C ILE A 47 13.361 41.288 -2.111 1.00 0.00 C ATOM 735 O ILE A 47 13.328 41.288 -3.327 1.00 0.00 O ATOM 736 CB ILE A 47 11.495 39.922 -1.191 1.00 0.00 C ATOM 737 CG1 ILE A 47 12.491 39.010 -0.487 1.00 0.00 C ATOM 738 CG2 ILE A 47 11.250 39.379 -2.609 1.00 0.00 C ATOM 739 CD1 ILE A 47 12.601 39.423 0.982 1.00 0.00 C ATOM 0 H ILE A 47 10.359 41.710 -2.508 1.00 0.00 H new ATOM 0 HA ILE A 47 12.296 41.740 -0.310 1.00 0.00 H new ATOM 0 HB ILE A 47 10.564 39.952 -0.625 1.00 0.00 H new ATOM 0 HG12 ILE A 47 12.167 37.972 -0.562 1.00 0.00 H new ATOM 0 HG13 ILE A 47 13.466 39.076 -0.969 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.839 38.371 -2.547 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.545 40.027 -3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.192 39.353 -3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 47 13.313 38.773 1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 47 12.944 40.456 1.045 1.00 0.00 H new ATOM 0 HD13 ILE A 47 11.625 39.335 1.459 1.00 0.00 H new ATOM 751 N LEU A 48 14.476 41.251 -1.432 1.00 0.00 N ATOM 752 CA LEU A 48 15.770 41.203 -2.164 1.00 0.00 C ATOM 753 C LEU A 48 15.865 39.936 -2.998 1.00 0.00 C ATOM 754 O LEU A 48 15.703 38.851 -2.493 1.00 0.00 O ATOM 755 CB LEU A 48 16.915 41.204 -1.142 1.00 0.00 C ATOM 756 CG LEU A 48 18.241 41.402 -1.882 1.00 0.00 C ATOM 757 CD1 LEU A 48 18.197 42.726 -2.651 1.00 0.00 C ATOM 758 CD2 LEU A 48 19.384 41.450 -0.867 1.00 0.00 C ATOM 0 H LEU A 48 14.545 41.252 -0.414 1.00 0.00 H new ATOM 0 HA LEU A 48 15.836 42.069 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 48 16.768 42.000 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.928 40.264 -0.590 1.00 0.00 H new ATOM 0 HG LEU A 48 18.400 40.577 -2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 48 19.139 42.871 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 48 17.378 42.702 -3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 48 18.043 43.548 -1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 48 20.330 41.591 -1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 48 19.224 42.279 -0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 48 19.414 40.514 -0.309 1.00 0.00 H new ATOM 770 N THR A 49 16.141 40.101 -4.261 1.00 0.00 N ATOM 771 CA THR A 49 16.250 38.915 -5.146 1.00 0.00 C ATOM 772 C THR A 49 17.149 37.862 -4.558 1.00 0.00 C ATOM 773 O THR A 49 18.166 38.131 -3.952 1.00 0.00 O ATOM 774 CB THR A 49 16.814 39.363 -6.486 1.00 0.00 C ATOM 775 OG1 THR A 49 15.847 40.244 -7.020 1.00 0.00 O ATOM 776 CG2 THR A 49 16.859 38.195 -7.476 1.00 0.00 C ATOM 0 H THR A 49 16.295 41.002 -4.714 1.00 0.00 H new ATOM 0 HA THR A 49 15.258 38.479 -5.264 1.00 0.00 H new ATOM 0 HB THR A 49 17.810 39.784 -6.347 1.00 0.00 H new ATOM 0 HG1 THR A 49 16.151 40.574 -7.891 1.00 0.00 H new ATOM 0 HG21 THR A 49 17.266 38.539 -8.427 1.00 0.00 H new ATOM 0 HG22 THR A 49 17.492 37.403 -7.076 1.00 0.00 H new ATOM 0 HG23 THR A 49 15.851 37.810 -7.631 1.00 0.00 H new ATOM 784 N GLY A 50 16.724 36.690 -4.768 1.00 0.00 N ATOM 785 CA GLY A 50 17.423 35.496 -4.291 1.00 0.00 C ATOM 786 C GLY A 50 17.173 35.377 -2.828 1.00 0.00 C ATOM 787 O GLY A 50 18.007 35.694 -2.000 1.00 0.00 O ATOM 0 H GLY A 50 15.867 36.488 -5.283 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.064 34.609 -4.813 1.00 0.00 H new ATOM 0 HA3 GLY A 50 18.492 35.573 -4.491 1.00 0.00 H new ATOM 791 N ASP A 51 16.012 34.902 -2.553 1.00 0.00 N ATOM 792 CA ASP A 51 15.590 34.704 -1.185 1.00 0.00 C ATOM 793 C ASP A 51 15.583 33.246 -0.942 1.00 0.00 C ATOM 794 O ASP A 51 14.878 32.544 -1.652 1.00 0.00 O ATOM 795 CB ASP A 51 14.161 35.265 -0.996 1.00 0.00 C ATOM 796 CG ASP A 51 13.770 36.140 -2.196 1.00 0.00 C ATOM 797 OD1 ASP A 51 14.674 36.715 -2.769 1.00 0.00 O ATOM 798 OD2 ASP A 51 12.582 36.182 -2.469 1.00 0.00 O ATOM 0 H ASP A 51 15.320 34.636 -3.254 1.00 0.00 H new ATOM 0 HA ASP A 51 16.258 35.215 -0.492 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.452 34.444 -0.889 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.111 35.851 -0.078 1.00 0.00 H new ATOM 803 N LYS A 52 16.311 32.748 -0.003 1.00 0.00 N ATOM 804 CA LYS A 52 16.219 31.308 0.143 1.00 0.00 C ATOM 805 C LYS A 52 14.865 31.080 0.759 1.00 0.00 C ATOM 806 O LYS A 52 14.644 31.448 1.892 1.00 0.00 O ATOM 807 CB LYS A 52 17.331 30.798 1.079 1.00 0.00 C ATOM 808 CG LYS A 52 18.575 30.476 0.246 1.00 0.00 C ATOM 809 CD LYS A 52 19.518 29.580 1.059 1.00 0.00 C ATOM 810 CE LYS A 52 19.964 30.322 2.321 1.00 0.00 C ATOM 811 NZ LYS A 52 20.583 31.631 1.968 1.00 0.00 N ATOM 0 H LYS A 52 16.931 33.249 0.633 1.00 0.00 H new ATOM 0 HA LYS A 52 16.337 30.781 -0.804 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.566 31.552 1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.995 29.909 1.613 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.287 29.975 -0.678 1.00 0.00 H new ATOM 0 HG3 LYS A 52 19.085 31.397 -0.036 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.013 28.652 1.329 1.00 0.00 H new ATOM 0 HD3 LYS A 52 20.386 29.307 0.458 1.00 0.00 H new ATOM 0 HE2 LYS A 52 19.108 30.483 2.976 1.00 0.00 H new ATOM 0 HE3 LYS A 52 20.679 29.713 2.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 21.102 32.002 2.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 21.241 31.501 1.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 19.839 32.304 1.695 1.00 0.00 H new ATOM 825 N VAL A 53 13.978 30.470 0.011 1.00 0.00 N ATOM 826 CA VAL A 53 12.606 30.224 0.558 1.00 0.00 C ATOM 827 C VAL A 53 12.183 28.785 0.529 1.00 0.00 C ATOM 828 O VAL A 53 12.846 27.942 -0.038 1.00 0.00 O ATOM 829 CB VAL A 53 11.634 31.002 -0.332 1.00 0.00 C ATOM 830 CG1 VAL A 53 12.113 32.453 -0.458 1.00 0.00 C ATOM 831 CG2 VAL A 53 11.615 30.351 -1.721 1.00 0.00 C ATOM 0 H VAL A 53 14.140 30.136 -0.939 1.00 0.00 H new ATOM 0 HA VAL A 53 12.607 30.534 1.603 1.00 0.00 H new ATOM 0 HB VAL A 53 10.634 30.987 0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 53 11.423 33.010 -1.091 1.00 0.00 H new ATOM 0 HG12 VAL A 53 12.149 32.911 0.530 1.00 0.00 H new ATOM 0 HG13 VAL A 53 13.108 32.470 -0.903 1.00 0.00 H new ATOM 0 HG21 VAL A 53 10.926 30.894 -2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 53 12.616 30.381 -2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.289 29.315 -1.633 1.00 0.00 H new ATOM 841 N ARG A 54 11.052 28.529 1.161 1.00 0.00 N ATOM 842 CA ARG A 54 10.539 27.148 1.192 1.00 0.00 C ATOM 843 C ARG A 54 9.497 27.005 0.107 1.00 0.00 C ATOM 844 O ARG A 54 8.501 27.703 0.113 1.00 0.00 O ATOM 845 CB ARG A 54 9.891 26.893 2.559 1.00 0.00 C ATOM 846 CG ARG A 54 10.071 25.422 2.939 1.00 0.00 C ATOM 847 CD ARG A 54 9.223 25.115 4.176 1.00 0.00 C ATOM 848 NE ARG A 54 10.113 24.604 5.256 1.00 0.00 N ATOM 849 CZ ARG A 54 9.699 23.633 6.020 1.00 0.00 C ATOM 850 NH1 ARG A 54 8.419 23.389 6.093 1.00 0.00 N ATOM 851 NH2 ARG A 54 10.579 22.935 6.685 1.00 0.00 N ATOM 0 H ARG A 54 10.481 29.221 1.646 1.00 0.00 H new ATOM 0 HA ARG A 54 11.346 26.433 1.031 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.346 27.534 3.315 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.831 27.144 2.524 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.772 24.781 2.110 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.121 25.212 3.142 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.703 26.013 4.509 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.459 24.376 3.935 1.00 0.00 H new ATOM 0 HE ARG A 54 11.038 25.011 5.396 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.761 23.954 5.557 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.077 22.633 6.686 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.572 23.154 6.602 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.274 22.171 7.288 1.00 0.00 H new ATOM 865 N VAL A 55 9.732 26.104 -0.804 1.00 0.00 N ATOM 866 CA VAL A 55 8.762 25.910 -1.900 1.00 0.00 C ATOM 867 C VAL A 55 7.874 24.701 -1.683 1.00 0.00 C ATOM 868 O VAL A 55 8.311 23.680 -1.187 1.00 0.00 O ATOM 869 CB VAL A 55 9.549 25.682 -3.197 1.00 0.00 C ATOM 870 CG1 VAL A 55 8.603 25.813 -4.389 1.00 0.00 C ATOM 871 CG2 VAL A 55 10.655 26.731 -3.313 1.00 0.00 C ATOM 0 H VAL A 55 10.552 25.499 -0.832 1.00 0.00 H new ATOM 0 HA VAL A 55 8.127 26.795 -1.944 1.00 0.00 H new ATOM 0 HB VAL A 55 9.991 24.686 -3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.158 25.652 -5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.810 25.070 -4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.165 26.811 -4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 55 11.215 26.569 -4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.212 27.727 -3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 55 11.328 26.646 -2.460 1.00 0.00 H new ATOM 881 N GLU A 56 6.631 24.851 -2.071 1.00 0.00 N ATOM 882 CA GLU A 56 5.663 23.755 -1.922 1.00 0.00 C ATOM 883 C GLU A 56 5.186 23.380 -3.303 1.00 0.00 C ATOM 884 O GLU A 56 4.621 24.198 -3.998 1.00 0.00 O ATOM 885 CB GLU A 56 4.471 24.255 -1.087 1.00 0.00 C ATOM 886 CG GLU A 56 3.377 23.187 -1.079 1.00 0.00 C ATOM 887 CD GLU A 56 2.183 23.696 -0.268 1.00 0.00 C ATOM 888 OE1 GLU A 56 1.364 24.368 -0.872 1.00 0.00 O ATOM 889 OE2 GLU A 56 2.159 23.385 0.912 1.00 0.00 O ATOM 0 H GLU A 56 6.255 25.702 -2.488 1.00 0.00 H new ATOM 0 HA GLU A 56 6.115 22.896 -1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.791 24.472 -0.068 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.085 25.185 -1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.068 22.958 -2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.758 22.262 -0.646 1.00 0.00 H new ATOM 896 N LEU A 57 5.403 22.155 -3.680 1.00 0.00 N ATOM 897 CA LEU A 57 4.959 21.739 -5.027 1.00 0.00 C ATOM 898 C LEU A 57 3.590 21.112 -4.972 1.00 0.00 C ATOM 899 O LEU A 57 3.256 20.424 -4.030 1.00 0.00 O ATOM 900 CB LEU A 57 5.956 20.705 -5.571 1.00 0.00 C ATOM 901 CG LEU A 57 7.376 21.271 -5.477 1.00 0.00 C ATOM 902 CD1 LEU A 57 8.380 20.117 -5.490 1.00 0.00 C ATOM 903 CD2 LEU A 57 7.639 22.179 -6.678 1.00 0.00 C ATOM 0 H LEU A 57 5.862 21.436 -3.121 1.00 0.00 H new ATOM 0 HA LEU A 57 4.915 22.617 -5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.883 19.778 -5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.717 20.462 -6.606 1.00 0.00 H new ATOM 0 HG LEU A 57 7.482 21.842 -4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.393 20.515 -5.423 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.191 19.461 -4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.273 19.552 -6.416 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.649 22.584 -6.614 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.536 21.604 -7.598 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.920 22.998 -6.679 1.00 0.00 H new ATOM 915 N THR A 58 2.821 21.353 -5.996 1.00 0.00 N ATOM 916 CA THR A 58 1.458 20.784 -6.033 1.00 0.00 C ATOM 917 C THR A 58 1.408 19.498 -6.879 1.00 0.00 C ATOM 918 O THR A 58 2.093 19.385 -7.876 1.00 0.00 O ATOM 919 CB THR A 58 0.554 21.836 -6.666 1.00 0.00 C ATOM 920 OG1 THR A 58 0.786 21.739 -8.059 1.00 0.00 O ATOM 921 CG2 THR A 58 1.040 23.249 -6.283 1.00 0.00 C ATOM 0 H THR A 58 3.082 21.918 -6.804 1.00 0.00 H new ATOM 0 HA THR A 58 1.139 20.526 -5.023 1.00 0.00 H new ATOM 0 HB THR A 58 -0.480 21.684 -6.357 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.229 22.394 -8.530 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.388 23.994 -6.740 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.015 23.361 -5.199 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.060 23.392 -6.639 1.00 0.00 H new ATOM 929 N PRO A 59 0.586 18.540 -6.453 1.00 0.00 N ATOM 930 CA PRO A 59 0.451 17.272 -7.171 1.00 0.00 C ATOM 931 C PRO A 59 -0.126 17.483 -8.568 1.00 0.00 C ATOM 932 O PRO A 59 -0.147 16.577 -9.377 1.00 0.00 O ATOM 933 CB PRO A 59 -0.547 16.445 -6.333 1.00 0.00 C ATOM 934 CG PRO A 59 -1.077 17.373 -5.199 1.00 0.00 C ATOM 935 CD PRO A 59 -0.247 18.663 -5.245 1.00 0.00 C ATOM 0 HA PRO A 59 1.419 16.785 -7.294 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.369 16.089 -6.954 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.060 15.565 -5.914 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.135 17.591 -5.343 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.981 16.888 -4.228 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.888 19.543 -5.296 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.368 18.768 -4.351 1.00 0.00 H new ATOM 943 N TYR A 60 -0.589 18.676 -8.825 1.00 0.00 N ATOM 944 CA TYR A 60 -1.166 18.957 -10.162 1.00 0.00 C ATOM 945 C TYR A 60 -0.076 19.319 -11.162 1.00 0.00 C ATOM 946 O TYR A 60 -0.152 18.961 -12.321 1.00 0.00 O ATOM 947 CB TYR A 60 -2.137 20.142 -10.034 1.00 0.00 C ATOM 948 CG TYR A 60 -3.270 19.977 -11.053 1.00 0.00 C ATOM 949 CD1 TYR A 60 -3.140 20.479 -12.331 1.00 0.00 C ATOM 950 CD2 TYR A 60 -4.435 19.320 -10.708 1.00 0.00 C ATOM 951 CE1 TYR A 60 -4.158 20.324 -13.252 1.00 0.00 C ATOM 952 CE2 TYR A 60 -5.452 19.166 -11.629 1.00 0.00 C ATOM 953 CZ TYR A 60 -5.321 19.667 -12.908 1.00 0.00 C ATOM 954 OH TYR A 60 -6.337 19.512 -13.829 1.00 0.00 O ATOM 0 H TYR A 60 -0.591 19.459 -8.171 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.681 18.065 -10.519 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.544 20.187 -9.024 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.610 21.080 -10.207 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.236 20.997 -12.614 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.551 18.924 -9.710 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.042 20.721 -14.250 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.357 18.649 -11.346 1.00 0.00 H new ATOM 0 HH TYR A 60 -7.081 19.025 -13.417 1.00 0.00 H new ATOM 964 N ASP A 61 0.923 20.021 -10.700 1.00 0.00 N ATOM 965 CA ASP A 61 2.020 20.410 -11.618 1.00 0.00 C ATOM 966 C ASP A 61 3.211 20.976 -10.848 1.00 0.00 C ATOM 967 O ASP A 61 3.313 22.171 -10.647 1.00 0.00 O ATOM 968 CB ASP A 61 1.483 21.491 -12.573 1.00 0.00 C ATOM 969 CG ASP A 61 2.401 21.594 -13.794 1.00 0.00 C ATOM 970 OD1 ASP A 61 3.353 20.832 -13.821 1.00 0.00 O ATOM 971 OD2 ASP A 61 2.097 22.428 -14.631 1.00 0.00 O ATOM 0 H ASP A 61 1.023 20.337 -9.735 1.00 0.00 H new ATOM 0 HA ASP A 61 2.356 19.529 -12.165 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.469 21.243 -12.887 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.432 22.452 -12.061 1.00 0.00 H new ATOM 976 N LEU A 62 4.089 20.101 -10.422 1.00 0.00 N ATOM 977 CA LEU A 62 5.278 20.563 -9.666 1.00 0.00 C ATOM 978 C LEU A 62 5.869 21.820 -10.294 1.00 0.00 C ATOM 979 O LEU A 62 6.453 22.640 -9.611 1.00 0.00 O ATOM 980 CB LEU A 62 6.327 19.446 -9.694 1.00 0.00 C ATOM 981 CG LEU A 62 5.691 18.158 -9.155 1.00 0.00 C ATOM 982 CD1 LEU A 62 4.851 17.492 -10.251 1.00 0.00 C ATOM 983 CD2 LEU A 62 6.797 17.197 -8.714 1.00 0.00 C ATOM 0 H LEU A 62 4.028 19.093 -10.568 1.00 0.00 H new ATOM 0 HA LEU A 62 4.984 20.798 -8.643 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.688 19.292 -10.711 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.190 19.723 -9.088 1.00 0.00 H new ATOM 0 HG LEU A 62 5.049 18.401 -8.308 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.403 16.578 -9.861 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.064 18.174 -10.571 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.489 17.249 -11.101 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.350 16.280 -8.330 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.435 16.961 -9.566 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.395 17.665 -7.932 1.00 0.00 H new ATOM 995 N SER A 63 5.710 21.953 -11.584 1.00 0.00 N ATOM 996 CA SER A 63 6.259 23.155 -12.260 1.00 0.00 C ATOM 997 C SER A 63 5.687 24.398 -11.612 1.00 0.00 C ATOM 998 O SER A 63 6.020 25.510 -11.977 1.00 0.00 O ATOM 999 CB SER A 63 5.836 23.120 -13.737 1.00 0.00 C ATOM 1000 OG SER A 63 6.039 24.451 -14.190 1.00 0.00 O ATOM 0 H SER A 63 5.229 21.288 -12.189 1.00 0.00 H new ATOM 0 HA SER A 63 7.346 23.167 -12.177 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.436 22.410 -14.306 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.795 22.817 -13.846 1.00 0.00 H new ATOM 0 HG SER A 63 6.630 24.922 -13.566 1.00 0.00 H new ATOM 1006 N LYS A 64 4.823 24.175 -10.657 1.00 0.00 N ATOM 1007 CA LYS A 64 4.193 25.305 -9.945 1.00 0.00 C ATOM 1008 C LYS A 64 4.173 25.018 -8.451 1.00 0.00 C ATOM 1009 O LYS A 64 4.003 23.882 -8.026 1.00 0.00 O ATOM 1010 CB LYS A 64 2.744 25.455 -10.440 1.00 0.00 C ATOM 1011 CG LYS A 64 2.741 25.669 -11.956 1.00 0.00 C ATOM 1012 CD LYS A 64 1.315 25.466 -12.491 1.00 0.00 C ATOM 1013 CE LYS A 64 0.855 26.744 -13.197 1.00 0.00 C ATOM 1014 NZ LYS A 64 0.460 27.778 -12.200 1.00 0.00 N ATOM 0 H LYS A 64 4.530 23.249 -10.344 1.00 0.00 H new ATOM 0 HA LYS A 64 4.757 26.218 -10.135 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.168 24.565 -10.187 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.264 26.298 -9.942 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.092 26.673 -12.194 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.425 24.969 -12.436 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.290 24.625 -13.184 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.637 25.225 -11.672 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.657 27.127 -13.828 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.013 26.522 -13.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.151 28.638 -12.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.320 27.416 -11.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.273 28.003 -11.592 1.00 0.00 H new ATOM 1028 N GLY A 65 4.335 26.044 -7.684 1.00 0.00 N ATOM 1029 CA GLY A 65 4.333 25.868 -6.219 1.00 0.00 C ATOM 1030 C GLY A 65 4.189 27.218 -5.568 1.00 0.00 C ATOM 1031 O GLY A 65 3.881 28.174 -6.224 1.00 0.00 O ATOM 0 H GLY A 65 4.469 27.002 -8.009 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.514 25.215 -5.919 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.257 25.390 -5.895 1.00 0.00 H new ATOM 1035 N ARG A 66 4.340 27.258 -4.287 1.00 0.00 N ATOM 1036 CA ARG A 66 4.214 28.567 -3.579 1.00 0.00 C ATOM 1037 C ARG A 66 5.363 28.734 -2.586 1.00 0.00 C ATOM 1038 O ARG A 66 6.023 27.776 -2.243 1.00 0.00 O ATOM 1039 CB ARG A 66 2.853 28.590 -2.822 1.00 0.00 C ATOM 1040 CG ARG A 66 3.048 29.070 -1.370 1.00 0.00 C ATOM 1041 CD ARG A 66 1.698 29.073 -0.653 1.00 0.00 C ATOM 1042 NE ARG A 66 1.872 29.679 0.696 1.00 0.00 N ATOM 1043 CZ ARG A 66 1.103 30.667 1.058 1.00 0.00 C ATOM 1044 NH1 ARG A 66 -0.108 30.729 0.577 1.00 0.00 N ATOM 1045 NH2 ARG A 66 1.570 31.558 1.887 1.00 0.00 N ATOM 0 H ARG A 66 4.544 26.454 -3.693 1.00 0.00 H new ATOM 0 HA ARG A 66 4.255 29.385 -4.298 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.155 29.249 -3.338 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.412 27.593 -2.825 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.748 28.416 -0.850 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.480 30.071 -1.361 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.966 29.639 -1.229 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.316 28.056 -0.563 1.00 0.00 H new ATOM 0 HE ARG A 66 2.587 29.324 1.331 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.437 30.012 -0.070 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.726 31.494 0.848 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.523 31.475 2.241 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.983 32.338 2.181 1.00 0.00 H new ATOM 1059 N ILE A 67 5.573 29.951 -2.139 1.00 0.00 N ATOM 1060 CA ILE A 67 6.676 30.190 -1.164 1.00 0.00 C ATOM 1061 C ILE A 67 6.115 30.374 0.235 1.00 0.00 C ATOM 1062 O ILE A 67 5.088 30.999 0.410 1.00 0.00 O ATOM 1063 CB ILE A 67 7.395 31.470 -1.560 1.00 0.00 C ATOM 1064 CG1 ILE A 67 8.307 31.207 -2.750 1.00 0.00 C ATOM 1065 CG2 ILE A 67 8.249 31.937 -0.367 1.00 0.00 C ATOM 1066 CD1 ILE A 67 8.721 32.543 -3.381 1.00 0.00 C ATOM 0 H ILE A 67 5.035 30.776 -2.405 1.00 0.00 H new ATOM 0 HA ILE A 67 7.353 29.336 -1.172 1.00 0.00 H new ATOM 0 HB ILE A 67 6.665 32.232 -1.832 1.00 0.00 H new ATOM 0 HG12 ILE A 67 9.190 30.654 -2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.793 30.588 -3.486 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.773 32.855 -0.632 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.604 32.122 0.492 1.00 0.00 H new ATOM 0 HG23 ILE A 67 8.975 31.164 -0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.374 32.356 -4.233 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.832 33.078 -3.715 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.251 33.145 -2.643 1.00 0.00 H new ATOM 1078 N THR A 68 6.790 29.828 1.222 1.00 0.00 N ATOM 1079 CA THR A 68 6.292 29.979 2.562 1.00 0.00 C ATOM 1080 C THR A 68 7.381 29.671 3.559 1.00 0.00 C ATOM 1081 O THR A 68 7.549 28.551 3.987 1.00 0.00 O ATOM 1082 CB THR A 68 5.131 29.000 2.764 1.00 0.00 C ATOM 1083 OG1 THR A 68 4.940 28.929 4.162 1.00 0.00 O ATOM 1084 CG2 THR A 68 5.536 27.577 2.355 1.00 0.00 C ATOM 0 H THR A 68 7.654 29.295 1.126 1.00 0.00 H new ATOM 0 HA THR A 68 5.956 31.005 2.713 1.00 0.00 H new ATOM 0 HB THR A 68 4.267 29.330 2.188 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.203 28.314 4.361 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.695 26.901 2.508 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.822 27.568 1.303 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.379 27.250 2.963 1.00 0.00 H new ATOM 1092 N TYR A 69 8.093 30.706 3.842 1.00 0.00 N ATOM 1093 CA TYR A 69 9.251 30.693 4.821 1.00 0.00 C ATOM 1094 C TYR A 69 10.557 30.888 4.093 1.00 0.00 C ATOM 1095 O TYR A 69 10.880 30.153 3.180 1.00 0.00 O ATOM 1096 CB TYR A 69 9.302 29.385 5.634 1.00 0.00 C ATOM 1097 CG TYR A 69 10.284 29.565 6.790 1.00 0.00 C ATOM 1098 CD1 TYR A 69 9.939 30.332 7.885 1.00 0.00 C ATOM 1099 CD2 TYR A 69 11.524 28.965 6.758 1.00 0.00 C ATOM 1100 CE1 TYR A 69 10.821 30.495 8.932 1.00 0.00 C ATOM 1101 CE2 TYR A 69 12.406 29.128 7.805 1.00 0.00 C ATOM 1102 CZ TYR A 69 12.063 29.895 8.900 1.00 0.00 C ATOM 1103 OH TYR A 69 12.945 30.057 9.947 1.00 0.00 O ATOM 0 H TYR A 69 7.928 31.621 3.423 1.00 0.00 H new ATOM 0 HA TYR A 69 9.094 31.517 5.517 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.311 29.138 6.015 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.615 28.557 4.998 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.970 30.808 7.922 1.00 0.00 H new ATOM 0 HD2 TYR A 69 11.807 28.363 5.907 1.00 0.00 H new ATOM 0 HE1 TYR A 69 10.538 31.097 9.783 1.00 0.00 H new ATOM 0 HE2 TYR A 69 13.374 28.651 7.768 1.00 0.00 H new ATOM 0 HH TYR A 69 13.771 29.564 9.758 1.00 0.00 H new ATOM 1113 N ARG A 70 11.303 31.884 4.512 1.00 0.00 N ATOM 1114 CA ARG A 70 12.588 32.135 3.846 1.00 0.00 C ATOM 1115 C ARG A 70 13.607 32.782 4.757 1.00 0.00 C ATOM 1116 O ARG A 70 13.269 33.400 5.748 1.00 0.00 O ATOM 1117 CB ARG A 70 12.334 33.070 2.670 1.00 0.00 C ATOM 1118 CG ARG A 70 11.650 34.326 3.187 1.00 0.00 C ATOM 1119 CD ARG A 70 12.695 35.429 3.386 1.00 0.00 C ATOM 1120 NE ARG A 70 12.308 36.259 4.563 1.00 0.00 N ATOM 1121 CZ ARG A 70 12.278 37.557 4.447 1.00 0.00 C ATOM 1122 NH1 ARG A 70 11.537 38.088 3.514 1.00 0.00 N ATOM 1123 NH2 ARG A 70 12.991 38.280 5.267 1.00 0.00 N ATOM 0 H ARG A 70 11.069 32.517 5.277 1.00 0.00 H new ATOM 0 HA ARG A 70 12.994 31.173 3.532 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.274 33.325 2.180 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.709 32.579 1.924 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.888 34.655 2.481 1.00 0.00 H new ATOM 0 HG3 ARG A 70 11.143 34.116 4.129 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.680 34.990 3.543 1.00 0.00 H new ATOM 0 HD3 ARG A 70 12.761 36.050 2.493 1.00 0.00 H new ATOM 0 HE ARG A 70 12.069 35.815 5.450 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.994 37.489 2.891 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.500 39.102 3.407 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.559 37.828 5.983 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.980 39.297 5.191 1.00 0.00 H new ATOM 1137 N ALA A 71 14.853 32.612 4.388 1.00 0.00 N ATOM 1138 CA ALA A 71 15.950 33.188 5.180 1.00 0.00 C ATOM 1139 C ALA A 71 16.963 33.889 4.271 1.00 0.00 C ATOM 1140 O ALA A 71 17.074 33.573 3.088 1.00 0.00 O ATOM 1141 CB ALA A 71 16.658 32.044 5.922 1.00 0.00 C ATOM 0 H ALA A 71 15.146 32.091 3.561 1.00 0.00 H new ATOM 0 HA ALA A 71 15.544 33.919 5.880 1.00 0.00 H new ATOM 0 HB1 ALA A 71 17.477 32.448 6.517 1.00 0.00 H new ATOM 0 HB2 ALA A 71 15.947 31.541 6.577 1.00 0.00 H new ATOM 0 HB3 ALA A 71 17.053 31.331 5.199 1.00 0.00 H new ATOM 1147 N ARG A 72 17.676 34.833 4.835 1.00 0.00 N ATOM 1148 CA ARG A 72 18.683 35.568 4.033 1.00 0.00 C ATOM 1149 C ARG A 72 19.959 34.748 3.889 1.00 0.00 C ATOM 1150 O ARG A 72 20.918 35.320 3.396 1.00 0.00 O ATOM 1151 CB ARG A 72 19.018 36.891 4.755 1.00 0.00 C ATOM 1152 CG ARG A 72 19.584 36.589 6.158 1.00 0.00 C ATOM 1153 CD ARG A 72 18.436 36.398 7.165 1.00 0.00 C ATOM 1154 NE ARG A 72 18.705 37.244 8.364 1.00 0.00 N ATOM 1155 CZ ARG A 72 18.972 36.671 9.509 1.00 0.00 C ATOM 1156 NH1 ARG A 72 18.168 35.743 9.951 1.00 0.00 N ATOM 1157 NH2 ARG A 72 20.034 37.045 10.172 1.00 0.00 N ATOM 1158 OXT ARG A 72 19.906 33.593 4.279 1.00 0.00 O ATOM 0 H ARG A 72 17.600 35.120 5.811 1.00 0.00 H new ATOM 0 HA ARG A 72 18.276 35.760 3.040 1.00 0.00 H new ATOM 0 HB2 ARG A 72 19.744 37.460 4.174 1.00 0.00 H new ATOM 0 HB3 ARG A 72 18.123 37.508 4.838 1.00 0.00 H new ATOM 0 HG2 ARG A 72 20.200 35.691 6.124 1.00 0.00 H new ATOM 0 HG3 ARG A 72 20.229 37.406 6.481 1.00 0.00 H new ATOM 0 HD2 ARG A 72 17.485 36.677 6.711 1.00 0.00 H new ATOM 0 HD3 ARG A 72 18.356 35.350 7.453 1.00 0.00 H new ATOM 0 HE ARG A 72 18.681 38.261 8.291 1.00 0.00 H new ATOM 0 HH11 ARG A 72 17.348 35.476 9.406 1.00 0.00 H new ATOM 0 HH12 ARG A 72 18.359 35.284 10.842 1.00 0.00 H new ATOM 0 HH21 ARG A 72 20.640 37.774 9.795 1.00 0.00 H new ATOM 0 HH22 ARG A 72 20.257 36.608 11.067 1.00 0.00 H new TER 1172 ARG A 72