USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 524 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 60 MET CE :methyl -160:sc= -4.72 (180deg=-6.51!) USER MOD Set 1.2: A 61 SER OG : rot 180:sc= -0.125 USER MOD Single : A 13 THR OG1 : rot -20:sc= 0.602 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.294 K(o=-0.29,f=-1.8!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 84:sc= 1.25 USER MOD Single : A 24 SER OG : rot 101:sc= 1.18 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 69:sc= 1.26 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 35 ASN : amide:sc= -3.85! C(o=-3.9!,f=-4.3!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= -0.113 (180deg=-0.459) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 81:sc= 0.518 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -86:sc= 1.02 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 70 GLN : amide:sc= -1.7! C(o=-1.7!,f=-5.3!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 13 97.666 18.712 13.125 1.00 0.00 N ATOM 2 CA THR A 13 96.188 18.549 13.157 1.00 0.00 C ATOM 3 C THR A 13 95.784 17.358 14.020 1.00 0.00 C ATOM 4 O THR A 13 96.629 16.719 14.644 1.00 0.00 O ATOM 5 CB THR A 13 95.685 18.360 11.724 1.00 0.00 C ATOM 6 OG1 THR A 13 96.674 17.732 10.927 1.00 0.00 O ATOM 7 CG2 THR A 13 95.303 19.660 11.048 1.00 0.00 C ATOM 0 HA THR A 13 95.739 19.440 13.596 1.00 0.00 H new ATOM 0 HB THR A 13 94.793 17.739 11.808 1.00 0.00 H new ATOM 0 HG1 THR A 13 97.551 17.839 11.350 1.00 0.00 H new ATOM 0 HG21 THR A 13 94.955 19.455 10.036 1.00 0.00 H new ATOM 0 HG22 THR A 13 94.507 20.144 11.614 1.00 0.00 H new ATOM 0 HG23 THR A 13 96.171 20.318 11.007 1.00 0.00 H new ATOM 15 N PHE A 14 94.487 17.067 14.047 1.00 0.00 N ATOM 16 CA PHE A 14 93.966 15.950 14.831 1.00 0.00 C ATOM 17 C PHE A 14 92.817 15.263 14.097 1.00 0.00 C ATOM 18 O PHE A 14 92.755 14.036 14.033 1.00 0.00 O ATOM 19 CB PHE A 14 93.494 16.440 16.204 1.00 0.00 C ATOM 20 CG PHE A 14 94.077 15.660 17.346 1.00 0.00 C ATOM 21 CD1 PHE A 14 93.802 14.310 17.489 1.00 0.00 C ATOM 22 CD2 PHE A 14 94.906 16.275 18.271 1.00 0.00 C ATOM 23 CE1 PHE A 14 94.343 13.586 18.535 1.00 0.00 C ATOM 24 CE2 PHE A 14 95.450 15.555 19.318 1.00 0.00 C ATOM 25 CZ PHE A 14 95.168 14.211 19.451 1.00 0.00 C ATOM 0 H PHE A 14 93.776 17.589 13.535 1.00 0.00 H new ATOM 0 HA PHE A 14 94.769 15.226 14.970 1.00 0.00 H new ATOM 0 HB2 PHE A 14 93.760 17.491 16.318 1.00 0.00 H new ATOM 0 HB3 PHE A 14 92.407 16.379 16.249 1.00 0.00 H new ATOM 0 HD1 PHE A 14 93.158 13.818 16.775 1.00 0.00 H new ATOM 0 HD2 PHE A 14 95.129 17.327 18.173 1.00 0.00 H new ATOM 0 HE1 PHE A 14 94.121 12.534 18.636 1.00 0.00 H new ATOM 0 HE2 PHE A 14 96.096 16.044 20.032 1.00 0.00 H new ATOM 0 HZ PHE A 14 95.591 13.648 20.270 1.00 0.00 H new ATOM 35 N LEU A 15 91.911 16.064 13.543 1.00 0.00 N ATOM 36 CA LEU A 15 90.761 15.539 12.813 1.00 0.00 C ATOM 37 C LEU A 15 91.201 14.632 11.666 1.00 0.00 C ATOM 38 O LEU A 15 90.723 13.505 11.535 1.00 0.00 O ATOM 39 CB LEU A 15 89.912 16.690 12.269 1.00 0.00 C ATOM 40 CG LEU A 15 90.701 17.804 11.576 1.00 0.00 C ATOM 41 CD1 LEU A 15 90.439 17.794 10.077 1.00 0.00 C ATOM 42 CD2 LEU A 15 90.349 19.160 12.171 1.00 0.00 C ATOM 0 H LEU A 15 91.951 17.082 13.586 1.00 0.00 H new ATOM 0 HA LEU A 15 90.165 14.947 13.507 1.00 0.00 H new ATOM 0 HB2 LEU A 15 89.187 16.285 11.563 1.00 0.00 H new ATOM 0 HB3 LEU A 15 89.346 17.125 13.093 1.00 0.00 H new ATOM 0 HG LEU A 15 91.763 17.623 11.740 1.00 0.00 H new ATOM 0 HD11 LEU A 15 91.009 18.593 9.603 1.00 0.00 H new ATOM 0 HD12 LEU A 15 90.744 16.834 9.661 1.00 0.00 H new ATOM 0 HD13 LEU A 15 89.376 17.948 9.892 1.00 0.00 H new ATOM 0 HD21 LEU A 15 90.920 19.939 11.665 1.00 0.00 H new ATOM 0 HD22 LEU A 15 89.283 19.349 12.041 1.00 0.00 H new ATOM 0 HD23 LEU A 15 90.591 19.165 13.234 1.00 0.00 H new ATOM 54 N THR A 16 92.113 15.132 10.837 1.00 0.00 N ATOM 55 CA THR A 16 92.614 14.370 9.697 1.00 0.00 C ATOM 56 C THR A 16 93.308 13.090 10.150 1.00 0.00 C ATOM 57 O THR A 16 93.400 12.123 9.393 1.00 0.00 O ATOM 58 CB THR A 16 93.586 15.221 8.878 1.00 0.00 C ATOM 59 OG1 THR A 16 94.168 14.456 7.837 1.00 0.00 O ATOM 60 CG2 THR A 16 94.711 15.805 9.702 1.00 0.00 C ATOM 0 H THR A 16 92.520 16.062 10.933 1.00 0.00 H new ATOM 0 HA THR A 16 91.760 14.097 9.077 1.00 0.00 H new ATOM 0 HB THR A 16 92.987 16.040 8.479 1.00 0.00 H new ATOM 0 HG1 THR A 16 94.785 15.018 7.324 1.00 0.00 H new ATOM 0 HG21 THR A 16 95.363 16.397 9.060 1.00 0.00 H new ATOM 0 HG22 THR A 16 94.297 16.442 10.484 1.00 0.00 H new ATOM 0 HG23 THR A 16 95.285 14.998 10.157 1.00 0.00 H new ATOM 68 N GLN A 17 93.798 13.088 11.386 1.00 0.00 N ATOM 69 CA GLN A 17 94.482 11.923 11.932 1.00 0.00 C ATOM 70 C GLN A 17 93.599 10.684 11.849 1.00 0.00 C ATOM 71 O GLN A 17 94.062 9.609 11.473 1.00 0.00 O ATOM 72 CB GLN A 17 94.888 12.178 13.385 1.00 0.00 C ATOM 73 CG GLN A 17 95.832 11.127 13.948 1.00 0.00 C ATOM 74 CD GLN A 17 97.233 11.660 14.180 1.00 0.00 C ATOM 75 OE1 GLN A 17 97.429 12.859 14.379 1.00 0.00 O ATOM 76 NE2 GLN A 17 98.217 10.768 14.155 1.00 0.00 N ATOM 0 H GLN A 17 93.734 13.879 12.027 1.00 0.00 H new ATOM 0 HA GLN A 17 95.378 11.748 11.337 1.00 0.00 H new ATOM 0 HB2 GLN A 17 95.364 13.156 13.454 1.00 0.00 H new ATOM 0 HB3 GLN A 17 93.991 12.216 14.003 1.00 0.00 H new ATOM 0 HG2 GLN A 17 95.431 10.751 14.889 1.00 0.00 H new ATOM 0 HG3 GLN A 17 95.879 10.282 13.261 1.00 0.00 H new ATOM 0 HE21 GLN A 17 98.009 9.784 13.987 1.00 0.00 H new ATOM 0 HE22 GLN A 17 99.181 11.067 14.304 1.00 0.00 H new ATOM 85 N VAL A 18 92.326 10.847 12.198 1.00 0.00 N ATOM 86 CA VAL A 18 91.371 9.742 12.165 1.00 0.00 C ATOM 87 C VAL A 18 91.079 9.299 10.734 1.00 0.00 C ATOM 88 O VAL A 18 90.964 8.106 10.455 1.00 0.00 O ATOM 89 CB VAL A 18 90.044 10.126 12.849 1.00 0.00 C ATOM 90 CG1 VAL A 18 89.121 8.918 12.951 1.00 0.00 C ATOM 91 CG2 VAL A 18 90.304 10.730 14.223 1.00 0.00 C ATOM 0 H VAL A 18 91.931 11.735 12.507 1.00 0.00 H new ATOM 0 HA VAL A 18 91.831 8.917 12.709 1.00 0.00 H new ATOM 0 HB VAL A 18 89.548 10.879 12.237 1.00 0.00 H new ATOM 0 HG11 VAL A 18 88.190 9.211 13.437 1.00 0.00 H new ATOM 0 HG12 VAL A 18 88.905 8.540 11.952 1.00 0.00 H new ATOM 0 HG13 VAL A 18 89.606 8.138 13.537 1.00 0.00 H new ATOM 0 HG21 VAL A 18 89.355 10.995 14.690 1.00 0.00 H new ATOM 0 HG22 VAL A 18 90.825 10.004 14.847 1.00 0.00 H new ATOM 0 HG23 VAL A 18 90.918 11.624 14.117 1.00 0.00 H new ATOM 101 N LYS A 19 90.965 10.267 9.830 1.00 0.00 N ATOM 102 CA LYS A 19 90.691 9.978 8.427 1.00 0.00 C ATOM 103 C LYS A 19 91.810 9.145 7.833 1.00 0.00 C ATOM 104 O LYS A 19 91.591 8.029 7.361 1.00 0.00 O ATOM 105 CB LYS A 19 90.547 11.280 7.647 1.00 0.00 C ATOM 106 CG LYS A 19 89.241 11.391 6.875 1.00 0.00 C ATOM 107 CD LYS A 19 88.036 11.220 7.788 1.00 0.00 C ATOM 108 CE LYS A 19 87.351 12.550 8.067 1.00 0.00 C ATOM 109 NZ LYS A 19 86.024 12.643 7.398 1.00 0.00 N ATOM 0 H LYS A 19 91.058 11.260 10.045 1.00 0.00 H new ATOM 0 HA LYS A 19 89.760 9.415 8.361 1.00 0.00 H new ATOM 0 HB2 LYS A 19 90.621 12.118 8.340 1.00 0.00 H new ATOM 0 HB3 LYS A 19 91.380 11.369 6.949 1.00 0.00 H new ATOM 0 HG2 LYS A 19 89.190 12.362 6.382 1.00 0.00 H new ATOM 0 HG3 LYS A 19 89.215 10.634 6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 19 87.325 10.533 7.328 1.00 0.00 H new ATOM 0 HD3 LYS A 19 88.352 10.769 8.728 1.00 0.00 H new ATOM 0 HE2 LYS A 19 87.225 12.675 9.142 1.00 0.00 H new ATOM 0 HE3 LYS A 19 87.988 13.365 7.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 85.591 13.564 7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 86.146 12.550 6.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 85.407 11.881 7.744 1.00 0.00 H new ATOM 123 N GLU A 20 93.016 9.695 7.873 1.00 0.00 N ATOM 124 CA GLU A 20 94.187 9.003 7.355 1.00 0.00 C ATOM 125 C GLU A 20 94.385 7.683 8.091 1.00 0.00 C ATOM 126 O GLU A 20 95.075 6.787 7.608 1.00 0.00 O ATOM 127 CB GLU A 20 95.431 9.881 7.494 1.00 0.00 C ATOM 128 CG GLU A 20 95.268 11.260 6.879 1.00 0.00 C ATOM 129 CD GLU A 20 96.592 11.889 6.495 1.00 0.00 C ATOM 130 OE1 GLU A 20 97.172 11.473 5.471 1.00 0.00 O ATOM 131 OE2 GLU A 20 97.049 12.801 7.217 1.00 0.00 O ATOM 0 H GLU A 20 93.209 10.619 8.259 1.00 0.00 H new ATOM 0 HA GLU A 20 94.029 8.794 6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 20 95.674 9.989 8.551 1.00 0.00 H new ATOM 0 HB3 GLU A 20 96.276 9.379 7.023 1.00 0.00 H new ATOM 0 HG2 GLU A 20 94.635 11.186 5.995 1.00 0.00 H new ATOM 0 HG3 GLU A 20 94.753 11.910 7.586 1.00 0.00 H new ATOM 138 N SER A 21 93.762 7.569 9.264 1.00 0.00 N ATOM 139 CA SER A 21 93.853 6.364 10.064 1.00 0.00 C ATOM 140 C SER A 21 92.988 5.261 9.465 1.00 0.00 C ATOM 141 O SER A 21 93.479 4.182 9.133 1.00 0.00 O ATOM 142 CB SER A 21 93.397 6.671 11.484 1.00 0.00 C ATOM 143 OG SER A 21 94.389 6.317 12.431 1.00 0.00 O ATOM 0 H SER A 21 93.188 8.305 9.676 1.00 0.00 H new ATOM 0 HA SER A 21 94.887 6.020 10.078 1.00 0.00 H new ATOM 0 HB2 SER A 21 93.169 7.733 11.573 1.00 0.00 H new ATOM 0 HB3 SER A 21 92.477 6.128 11.698 1.00 0.00 H new ATOM 0 HG SER A 21 94.070 6.527 13.333 1.00 0.00 H new ATOM 149 N LEU A 22 91.698 5.547 9.325 1.00 0.00 N ATOM 150 CA LEU A 22 90.762 4.589 8.756 1.00 0.00 C ATOM 151 C LEU A 22 91.146 4.277 7.318 1.00 0.00 C ATOM 152 O LEU A 22 91.073 3.131 6.876 1.00 0.00 O ATOM 153 CB LEU A 22 89.335 5.136 8.817 1.00 0.00 C ATOM 154 CG LEU A 22 88.260 4.101 9.155 1.00 0.00 C ATOM 155 CD1 LEU A 22 87.205 4.702 10.072 1.00 0.00 C ATOM 156 CD2 LEU A 22 87.621 3.563 7.883 1.00 0.00 C ATOM 0 H LEU A 22 91.278 6.436 9.598 1.00 0.00 H new ATOM 0 HA LEU A 22 90.804 3.669 9.340 1.00 0.00 H new ATOM 0 HB2 LEU A 22 89.298 5.932 9.561 1.00 0.00 H new ATOM 0 HB3 LEU A 22 89.094 5.588 7.855 1.00 0.00 H new ATOM 0 HG LEU A 22 88.734 3.272 9.680 1.00 0.00 H new ATOM 0 HD11 LEU A 22 86.450 3.950 10.300 1.00 0.00 H new ATOM 0 HD12 LEU A 22 87.675 5.037 10.997 1.00 0.00 H new ATOM 0 HD13 LEU A 22 86.733 5.551 9.577 1.00 0.00 H new ATOM 0 HD21 LEU A 22 86.859 2.828 8.142 1.00 0.00 H new ATOM 0 HD22 LEU A 22 87.162 4.383 7.331 1.00 0.00 H new ATOM 0 HD23 LEU A 22 88.384 3.092 7.264 1.00 0.00 H new ATOM 168 N SER A 23 91.569 5.309 6.597 1.00 0.00 N ATOM 169 CA SER A 23 91.982 5.149 5.210 1.00 0.00 C ATOM 170 C SER A 23 93.229 4.280 5.132 1.00 0.00 C ATOM 171 O SER A 23 93.409 3.515 4.186 1.00 0.00 O ATOM 172 CB SER A 23 92.245 6.513 4.566 1.00 0.00 C ATOM 173 OG SER A 23 91.178 7.410 4.817 1.00 0.00 O ATOM 0 H SER A 23 91.635 6.264 6.950 1.00 0.00 H new ATOM 0 HA SER A 23 91.176 4.660 4.663 1.00 0.00 H new ATOM 0 HB2 SER A 23 93.174 6.930 4.956 1.00 0.00 H new ATOM 0 HB3 SER A 23 92.377 6.392 3.491 1.00 0.00 H new ATOM 0 HG SER A 23 91.300 7.826 5.696 1.00 0.00 H new ATOM 178 N SER A 24 94.081 4.397 6.143 1.00 0.00 N ATOM 179 CA SER A 24 95.307 3.615 6.201 1.00 0.00 C ATOM 180 C SER A 24 94.988 2.152 6.475 1.00 0.00 C ATOM 181 O SER A 24 95.696 1.254 6.019 1.00 0.00 O ATOM 182 CB SER A 24 96.235 4.147 7.287 1.00 0.00 C ATOM 183 OG SER A 24 96.929 5.302 6.849 1.00 0.00 O ATOM 0 H SER A 24 93.944 5.027 6.934 1.00 0.00 H new ATOM 0 HA SER A 24 95.808 3.700 5.237 1.00 0.00 H new ATOM 0 HB2 SER A 24 95.656 4.384 8.179 1.00 0.00 H new ATOM 0 HB3 SER A 24 96.951 3.374 7.568 1.00 0.00 H new ATOM 0 HG SER A 24 96.497 6.102 7.215 1.00 0.00 H new ATOM 189 N TYR A 25 93.909 1.918 7.218 1.00 0.00 N ATOM 190 CA TYR A 25 93.479 0.576 7.546 1.00 0.00 C ATOM 191 C TYR A 25 93.307 -0.239 6.271 1.00 0.00 C ATOM 192 O TYR A 25 93.592 -1.435 6.236 1.00 0.00 O ATOM 193 CB TYR A 25 92.166 0.661 8.313 1.00 0.00 C ATOM 194 CG TYR A 25 92.132 -0.172 9.574 1.00 0.00 C ATOM 195 CD1 TYR A 25 92.239 -1.555 9.521 1.00 0.00 C ATOM 196 CD2 TYR A 25 91.996 0.429 10.820 1.00 0.00 C ATOM 197 CE1 TYR A 25 92.208 -2.317 10.674 1.00 0.00 C ATOM 198 CE2 TYR A 25 91.966 -0.326 11.976 1.00 0.00 C ATOM 199 CZ TYR A 25 92.074 -1.698 11.898 1.00 0.00 C ATOM 200 OH TYR A 25 92.046 -2.453 13.047 1.00 0.00 O ATOM 0 H TYR A 25 93.317 2.653 7.604 1.00 0.00 H new ATOM 0 HA TYR A 25 94.228 0.081 8.165 1.00 0.00 H new ATOM 0 HB2 TYR A 25 91.977 1.702 8.573 1.00 0.00 H new ATOM 0 HB3 TYR A 25 91.354 0.343 7.659 1.00 0.00 H new ATOM 0 HD1 TYR A 25 92.348 -2.043 8.564 1.00 0.00 H new ATOM 0 HD2 TYR A 25 91.912 1.504 10.885 1.00 0.00 H new ATOM 0 HE1 TYR A 25 92.288 -3.392 10.616 1.00 0.00 H new ATOM 0 HE2 TYR A 25 91.858 0.156 12.936 1.00 0.00 H new ATOM 0 HH TYR A 25 91.948 -1.863 13.824 1.00 0.00 H new ATOM 210 N TRP A 26 92.853 0.439 5.222 1.00 0.00 N ATOM 211 CA TRP A 26 92.645 -0.188 3.919 1.00 0.00 C ATOM 212 C TRP A 26 93.728 0.241 2.928 1.00 0.00 C ATOM 213 O TRP A 26 93.904 -0.388 1.884 1.00 0.00 O ATOM 214 CB TRP A 26 91.264 0.182 3.366 1.00 0.00 C ATOM 215 CG TRP A 26 90.129 -0.503 4.069 1.00 0.00 C ATOM 216 CD1 TRP A 26 90.122 -1.772 4.573 1.00 0.00 C ATOM 217 CD2 TRP A 26 88.833 0.044 4.341 1.00 0.00 C ATOM 218 NE1 TRP A 26 88.903 -2.045 5.146 1.00 0.00 N ATOM 219 CE2 TRP A 26 88.095 -0.945 5.016 1.00 0.00 C ATOM 220 CE3 TRP A 26 88.227 1.276 4.084 1.00 0.00 C ATOM 221 CZ2 TRP A 26 86.782 -0.742 5.434 1.00 0.00 C ATOM 222 CZ3 TRP A 26 86.924 1.478 4.498 1.00 0.00 C ATOM 223 CH2 TRP A 26 86.214 0.474 5.168 1.00 0.00 C ATOM 0 H TRP A 26 92.620 1.432 5.249 1.00 0.00 H new ATOM 0 HA TRP A 26 92.702 -1.268 4.052 1.00 0.00 H new ATOM 0 HB2 TRP A 26 91.129 1.261 3.443 1.00 0.00 H new ATOM 0 HB3 TRP A 26 91.228 -0.069 2.306 1.00 0.00 H new ATOM 0 HD1 TRP A 26 90.953 -2.460 4.528 1.00 0.00 H new ATOM 0 HE1 TRP A 26 88.642 -2.923 5.595 1.00 0.00 H new ATOM 0 HE3 TRP A 26 88.767 2.057 3.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 86.232 -1.516 5.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 86.445 2.426 4.302 1.00 0.00 H new ATOM 0 HH2 TRP A 26 85.198 0.663 5.481 1.00 0.00 H new ATOM 234 N GLU A 27 94.455 1.312 3.256 1.00 0.00 N ATOM 235 CA GLU A 27 95.515 1.806 2.377 1.00 0.00 C ATOM 236 C GLU A 27 96.564 0.730 2.126 1.00 0.00 C ATOM 237 O GLU A 27 97.007 0.537 0.995 1.00 0.00 O ATOM 238 CB GLU A 27 96.185 3.045 2.977 1.00 0.00 C ATOM 239 CG GLU A 27 97.108 3.770 2.010 1.00 0.00 C ATOM 240 CD GLU A 27 96.397 4.222 0.750 1.00 0.00 C ATOM 241 OE1 GLU A 27 95.773 5.302 0.776 1.00 0.00 O ATOM 242 OE2 GLU A 27 96.466 3.494 -0.263 1.00 0.00 O ATOM 0 H GLU A 27 94.330 1.848 4.115 1.00 0.00 H new ATOM 0 HA GLU A 27 95.054 2.075 1.427 1.00 0.00 H new ATOM 0 HB2 GLU A 27 95.413 3.736 3.316 1.00 0.00 H new ATOM 0 HB3 GLU A 27 96.756 2.748 3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 27 97.541 4.637 2.509 1.00 0.00 H new ATOM 0 HG3 GLU A 27 97.934 3.112 1.740 1.00 0.00 H new ATOM 249 N SER A 28 96.956 0.029 3.184 1.00 0.00 N ATOM 250 CA SER A 28 97.951 -1.027 3.065 1.00 0.00 C ATOM 251 C SER A 28 97.453 -2.120 2.137 1.00 0.00 C ATOM 252 O SER A 28 98.214 -2.671 1.343 1.00 0.00 O ATOM 253 CB SER A 28 98.284 -1.607 4.434 1.00 0.00 C ATOM 254 OG SER A 28 99.201 -2.682 4.326 1.00 0.00 O ATOM 0 H SER A 28 96.601 0.173 4.129 1.00 0.00 H new ATOM 0 HA SER A 28 98.859 -0.597 2.643 1.00 0.00 H new ATOM 0 HB2 SER A 28 98.706 -0.828 5.069 1.00 0.00 H new ATOM 0 HB3 SER A 28 97.370 -1.952 4.918 1.00 0.00 H new ATOM 0 HG SER A 28 99.398 -3.034 5.219 1.00 0.00 H new ATOM 260 N ALA A 29 96.159 -2.412 2.221 1.00 0.00 N ATOM 261 CA ALA A 29 95.561 -3.419 1.360 1.00 0.00 C ATOM 262 C ALA A 29 95.708 -2.978 -0.085 1.00 0.00 C ATOM 263 O ALA A 29 95.969 -3.784 -0.977 1.00 0.00 O ATOM 264 CB ALA A 29 94.097 -3.635 1.717 1.00 0.00 C ATOM 0 H ALA A 29 95.511 -1.968 2.872 1.00 0.00 H new ATOM 0 HA ALA A 29 96.074 -4.370 1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 29 93.670 -4.393 1.060 1.00 0.00 H new ATOM 0 HB2 ALA A 29 94.020 -3.968 2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 29 93.551 -2.700 1.595 1.00 0.00 H new ATOM 270 N LYS A 30 95.576 -1.670 -0.290 1.00 0.00 N ATOM 271 CA LYS A 30 95.726 -1.079 -1.611 1.00 0.00 C ATOM 272 C LYS A 30 97.204 -0.972 -1.961 1.00 0.00 C ATOM 273 O LYS A 30 97.584 -1.019 -3.130 1.00 0.00 O ATOM 274 CB LYS A 30 95.076 0.306 -1.653 1.00 0.00 C ATOM 275 CG LYS A 30 93.631 0.318 -1.181 1.00 0.00 C ATOM 276 CD LYS A 30 93.203 1.708 -0.735 1.00 0.00 C ATOM 277 CE LYS A 30 92.370 2.404 -1.800 1.00 0.00 C ATOM 278 NZ LYS A 30 92.865 3.780 -2.087 1.00 0.00 N ATOM 0 H LYS A 30 95.364 -0.999 0.448 1.00 0.00 H new ATOM 0 HA LYS A 30 95.229 -1.718 -2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 30 95.657 0.989 -1.033 1.00 0.00 H new ATOM 0 HB3 LYS A 30 95.119 0.687 -2.673 1.00 0.00 H new ATOM 0 HG2 LYS A 30 92.981 -0.023 -1.987 1.00 0.00 H new ATOM 0 HG3 LYS A 30 93.511 -0.384 -0.355 1.00 0.00 H new ATOM 0 HD2 LYS A 30 92.627 1.634 0.188 1.00 0.00 H new ATOM 0 HD3 LYS A 30 94.086 2.308 -0.513 1.00 0.00 H new ATOM 0 HE2 LYS A 30 92.388 1.814 -2.716 1.00 0.00 H new ATOM 0 HE3 LYS A 30 91.331 2.454 -1.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 92.269 4.218 -2.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 92.824 4.352 -1.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 93.848 3.732 -2.424 1.00 0.00 H new ATOM 292 N THR A 31 98.035 -0.842 -0.929 1.00 0.00 N ATOM 293 CA THR A 31 99.472 -0.740 -1.109 1.00 0.00 C ATOM 294 C THR A 31 100.049 -2.085 -1.529 1.00 0.00 C ATOM 295 O THR A 31 100.657 -2.209 -2.592 1.00 0.00 O ATOM 296 CB THR A 31 100.122 -0.279 0.190 1.00 0.00 C ATOM 297 OG1 THR A 31 99.665 1.011 0.552 1.00 0.00 O ATOM 298 CG2 THR A 31 101.628 -0.232 0.118 1.00 0.00 C ATOM 0 H THR A 31 97.730 -0.805 0.044 1.00 0.00 H new ATOM 0 HA THR A 31 99.678 -0.011 -1.893 1.00 0.00 H new ATOM 0 HB THR A 31 99.834 -1.020 0.936 1.00 0.00 H new ATOM 0 HG1 THR A 31 98.722 0.962 0.816 1.00 0.00 H new ATOM 0 HG21 THR A 31 102.028 0.104 1.075 1.00 0.00 H new ATOM 0 HG22 THR A 31 102.013 -1.227 -0.107 1.00 0.00 H new ATOM 0 HG23 THR A 31 101.933 0.461 -0.666 1.00 0.00 H new ATOM 306 N ALA A 32 99.839 -3.097 -0.690 1.00 0.00 N ATOM 307 CA ALA A 32 100.325 -4.437 -0.984 1.00 0.00 C ATOM 308 C ALA A 32 99.753 -4.921 -2.308 1.00 0.00 C ATOM 309 O ALA A 32 100.317 -5.797 -2.962 1.00 0.00 O ATOM 310 CB ALA A 32 99.962 -5.394 0.142 1.00 0.00 C ATOM 0 H ALA A 32 99.338 -3.012 0.194 1.00 0.00 H new ATOM 0 HA ALA A 32 101.411 -4.407 -1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 32 100.333 -6.391 -0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 32 100.414 -5.050 1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 32 98.878 -5.428 0.256 1.00 0.00 H new ATOM 316 N ALA A 33 98.632 -4.325 -2.704 1.00 0.00 N ATOM 317 CA ALA A 33 97.978 -4.674 -3.956 1.00 0.00 C ATOM 318 C ALA A 33 98.714 -4.043 -5.132 1.00 0.00 C ATOM 319 O ALA A 33 98.726 -4.586 -6.235 1.00 0.00 O ATOM 320 CB ALA A 33 96.523 -4.226 -3.936 1.00 0.00 C ATOM 0 H ALA A 33 98.158 -3.595 -2.172 1.00 0.00 H new ATOM 0 HA ALA A 33 98.005 -5.757 -4.073 1.00 0.00 H new ATOM 0 HB1 ALA A 33 96.047 -4.494 -4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 33 96.002 -4.717 -3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 33 96.477 -3.145 -3.800 1.00 0.00 H new ATOM 326 N GLN A 34 99.331 -2.890 -4.884 1.00 0.00 N ATOM 327 CA GLN A 34 100.072 -2.181 -5.920 1.00 0.00 C ATOM 328 C GLN A 34 101.259 -3.011 -6.397 1.00 0.00 C ATOM 329 O GLN A 34 101.553 -3.065 -7.590 1.00 0.00 O ATOM 330 CB GLN A 34 100.556 -0.830 -5.392 1.00 0.00 C ATOM 331 CG GLN A 34 99.919 0.359 -6.090 1.00 0.00 C ATOM 332 CD GLN A 34 100.644 1.659 -5.804 1.00 0.00 C ATOM 333 OE1 GLN A 34 101.485 1.730 -4.907 1.00 0.00 O ATOM 334 NE2 GLN A 34 100.320 2.696 -6.566 1.00 0.00 N ATOM 0 H GLN A 34 99.332 -2.428 -3.974 1.00 0.00 H new ATOM 0 HA GLN A 34 99.405 -2.014 -6.765 1.00 0.00 H new ATOM 0 HB2 GLN A 34 100.345 -0.770 -4.324 1.00 0.00 H new ATOM 0 HB3 GLN A 34 101.638 -0.771 -5.507 1.00 0.00 H new ATOM 0 HG2 GLN A 34 99.909 0.182 -7.165 1.00 0.00 H new ATOM 0 HG3 GLN A 34 98.880 0.449 -5.772 1.00 0.00 H new ATOM 0 HE21 GLN A 34 99.617 2.591 -7.298 1.00 0.00 H new ATOM 0 HE22 GLN A 34 100.774 3.598 -6.420 1.00 0.00 H new ATOM 343 N ASN A 35 101.937 -3.653 -5.453 1.00 0.00 N ATOM 344 CA ASN A 35 103.091 -4.476 -5.757 1.00 0.00 C ATOM 345 C ASN A 35 102.721 -5.625 -6.690 1.00 0.00 C ATOM 346 O ASN A 35 103.375 -5.848 -7.708 1.00 0.00 O ATOM 347 CB ASN A 35 103.665 -5.017 -4.453 1.00 0.00 C ATOM 348 CG ASN A 35 105.167 -4.845 -4.358 1.00 0.00 C ATOM 349 OD1 ASN A 35 105.931 -5.698 -4.809 1.00 0.00 O ATOM 350 ND2 ASN A 35 105.600 -3.736 -3.767 1.00 0.00 N ATOM 0 H ASN A 35 101.700 -3.615 -4.462 1.00 0.00 H new ATOM 0 HA ASN A 35 103.837 -3.867 -6.268 1.00 0.00 H new ATOM 0 HB2 ASN A 35 103.192 -4.508 -3.614 1.00 0.00 H new ATOM 0 HB3 ASN A 35 103.418 -6.075 -4.364 1.00 0.00 H new ATOM 0 HD21 ASN A 35 106.601 -3.566 -3.673 1.00 0.00 H new ATOM 0 HD22 ASN A 35 104.931 -3.055 -3.407 1.00 0.00 H new ATOM 357 N LEU A 36 101.673 -6.355 -6.330 1.00 0.00 N ATOM 358 CA LEU A 36 101.211 -7.481 -7.116 1.00 0.00 C ATOM 359 C LEU A 36 100.652 -7.031 -8.465 1.00 0.00 C ATOM 360 O LEU A 36 100.702 -7.777 -9.443 1.00 0.00 O ATOM 361 CB LEU A 36 100.141 -8.215 -6.316 1.00 0.00 C ATOM 362 CG LEU A 36 100.347 -9.725 -6.173 1.00 0.00 C ATOM 363 CD1 LEU A 36 99.689 -10.235 -4.900 1.00 0.00 C ATOM 364 CD2 LEU A 36 99.799 -10.457 -7.388 1.00 0.00 C ATOM 0 H LEU A 36 101.125 -6.181 -5.488 1.00 0.00 H new ATOM 0 HA LEU A 36 102.052 -8.143 -7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 36 100.092 -7.776 -5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 36 99.175 -8.041 -6.789 1.00 0.00 H new ATOM 0 HG LEU A 36 101.417 -9.921 -6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 36 99.846 -11.310 -4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 36 100.129 -9.735 -4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 36 98.620 -10.026 -4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 36 99.955 -11.529 -7.268 1.00 0.00 H new ATOM 0 HD22 LEU A 36 98.732 -10.254 -7.485 1.00 0.00 H new ATOM 0 HD23 LEU A 36 100.316 -10.113 -8.284 1.00 0.00 H new ATOM 376 N TYR A 37 100.110 -5.816 -8.507 1.00 0.00 N ATOM 377 CA TYR A 37 99.521 -5.276 -9.736 1.00 0.00 C ATOM 378 C TYR A 37 100.486 -4.364 -10.495 1.00 0.00 C ATOM 379 O TYR A 37 100.156 -3.874 -11.576 1.00 0.00 O ATOM 380 CB TYR A 37 98.247 -4.499 -9.402 1.00 0.00 C ATOM 381 CG TYR A 37 96.993 -5.338 -9.484 1.00 0.00 C ATOM 382 CD1 TYR A 37 96.377 -5.582 -10.706 1.00 0.00 C ATOM 383 CD2 TYR A 37 96.434 -5.896 -8.342 1.00 0.00 C ATOM 384 CE1 TYR A 37 95.235 -6.358 -10.784 1.00 0.00 C ATOM 385 CE2 TYR A 37 95.294 -6.673 -8.414 1.00 0.00 C ATOM 386 CZ TYR A 37 94.700 -6.901 -9.636 1.00 0.00 C ATOM 387 OH TYR A 37 93.563 -7.674 -9.710 1.00 0.00 O ATOM 0 H TYR A 37 100.065 -5.185 -7.707 1.00 0.00 H new ATOM 0 HA TYR A 37 99.291 -6.124 -10.382 1.00 0.00 H new ATOM 0 HB2 TYR A 37 98.335 -4.087 -8.397 1.00 0.00 H new ATOM 0 HB3 TYR A 37 98.156 -3.655 -10.085 1.00 0.00 H new ATOM 0 HD1 TYR A 37 96.796 -5.160 -11.607 1.00 0.00 H new ATOM 0 HD2 TYR A 37 96.898 -5.720 -7.383 1.00 0.00 H new ATOM 0 HE1 TYR A 37 94.765 -6.538 -11.740 1.00 0.00 H new ATOM 0 HE2 TYR A 37 94.871 -7.100 -7.517 1.00 0.00 H new ATOM 0 HH TYR A 37 93.317 -7.981 -8.812 1.00 0.00 H new ATOM 397 N GLU A 38 101.666 -4.127 -9.934 1.00 0.00 N ATOM 398 CA GLU A 38 102.655 -3.261 -10.582 1.00 0.00 C ATOM 399 C GLU A 38 104.065 -3.819 -10.437 1.00 0.00 C ATOM 400 O GLU A 38 104.767 -4.026 -11.426 1.00 0.00 O ATOM 401 CB GLU A 38 102.593 -1.849 -9.997 1.00 0.00 C ATOM 402 CG GLU A 38 101.239 -1.180 -10.168 1.00 0.00 C ATOM 403 CD GLU A 38 101.076 -0.541 -11.532 1.00 0.00 C ATOM 404 OE1 GLU A 38 102.058 0.045 -12.033 1.00 0.00 O ATOM 405 OE2 GLU A 38 99.967 -0.627 -12.099 1.00 0.00 O ATOM 0 H GLU A 38 101.964 -4.517 -9.040 1.00 0.00 H new ATOM 0 HA GLU A 38 102.412 -3.222 -11.644 1.00 0.00 H new ATOM 0 HB2 GLU A 38 102.836 -1.893 -8.935 1.00 0.00 H new ATOM 0 HB3 GLU A 38 103.356 -1.233 -10.473 1.00 0.00 H new ATOM 0 HG2 GLU A 38 100.451 -1.918 -10.020 1.00 0.00 H new ATOM 0 HG3 GLU A 38 101.113 -0.420 -9.397 1.00 0.00 H new ATOM 412 N LYS A 39 104.472 -4.059 -9.199 1.00 0.00 N ATOM 413 CA LYS A 39 105.802 -4.593 -8.920 1.00 0.00 C ATOM 414 C LYS A 39 105.906 -6.068 -9.313 1.00 0.00 C ATOM 415 O LYS A 39 106.967 -6.678 -9.181 1.00 0.00 O ATOM 416 CB LYS A 39 106.142 -4.420 -7.440 1.00 0.00 C ATOM 417 CG LYS A 39 106.084 -2.976 -6.967 1.00 0.00 C ATOM 418 CD LYS A 39 107.263 -2.168 -7.483 1.00 0.00 C ATOM 419 CE LYS A 39 106.843 -0.761 -7.877 1.00 0.00 C ATOM 420 NZ LYS A 39 106.934 0.188 -6.732 1.00 0.00 N ATOM 0 H LYS A 39 103.902 -3.893 -8.370 1.00 0.00 H new ATOM 0 HA LYS A 39 106.518 -4.033 -9.521 1.00 0.00 H new ATOM 0 HB2 LYS A 39 105.451 -5.017 -6.845 1.00 0.00 H new ATOM 0 HB3 LYS A 39 107.142 -4.814 -7.257 1.00 0.00 H new ATOM 0 HG2 LYS A 39 105.154 -2.519 -7.305 1.00 0.00 H new ATOM 0 HG3 LYS A 39 106.074 -2.950 -5.877 1.00 0.00 H new ATOM 0 HD2 LYS A 39 108.035 -2.117 -6.715 1.00 0.00 H new ATOM 0 HD3 LYS A 39 107.703 -2.672 -8.344 1.00 0.00 H new ATOM 0 HE2 LYS A 39 107.475 -0.408 -8.692 1.00 0.00 H new ATOM 0 HE3 LYS A 39 105.820 -0.779 -8.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 106.639 1.136 -7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 106.311 -0.134 -5.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 107.915 0.226 -6.389 1.00 0.00 H new ATOM 434 N THR A 40 104.803 -6.639 -9.790 1.00 0.00 N ATOM 435 CA THR A 40 104.774 -8.035 -10.199 1.00 0.00 C ATOM 436 C THR A 40 104.265 -8.177 -11.639 1.00 0.00 C ATOM 437 O THR A 40 104.360 -9.250 -12.235 1.00 0.00 O ATOM 438 CB THR A 40 103.880 -8.823 -9.240 1.00 0.00 C ATOM 439 OG1 THR A 40 104.498 -8.961 -7.970 1.00 0.00 O ATOM 440 CG2 THR A 40 103.536 -10.208 -9.735 1.00 0.00 C ATOM 0 H THR A 40 103.914 -6.151 -9.902 1.00 0.00 H new ATOM 0 HA THR A 40 105.788 -8.433 -10.164 1.00 0.00 H new ATOM 0 HB THR A 40 102.960 -8.243 -9.171 1.00 0.00 H new ATOM 0 HG1 THR A 40 103.908 -9.466 -7.372 1.00 0.00 H new ATOM 0 HG21 THR A 40 102.900 -10.708 -9.004 1.00 0.00 H new ATOM 0 HG22 THR A 40 103.008 -10.134 -10.686 1.00 0.00 H new ATOM 0 HG23 THR A 40 104.452 -10.783 -9.873 1.00 0.00 H new ATOM 448 N TYR A 41 103.713 -7.094 -12.183 1.00 0.00 N ATOM 449 CA TYR A 41 103.180 -7.096 -13.540 1.00 0.00 C ATOM 450 C TYR A 41 104.291 -7.256 -14.583 1.00 0.00 C ATOM 451 O TYR A 41 105.380 -7.739 -14.274 1.00 0.00 O ATOM 452 CB TYR A 41 102.403 -5.800 -13.780 1.00 0.00 C ATOM 453 CG TYR A 41 101.046 -6.004 -14.415 1.00 0.00 C ATOM 454 CD1 TYR A 41 100.018 -6.625 -13.718 1.00 0.00 C ATOM 455 CD2 TYR A 41 100.790 -5.564 -15.707 1.00 0.00 C ATOM 456 CE1 TYR A 41 98.774 -6.802 -14.291 1.00 0.00 C ATOM 457 CE2 TYR A 41 99.549 -5.739 -16.287 1.00 0.00 C ATOM 458 CZ TYR A 41 98.544 -6.357 -15.575 1.00 0.00 C ATOM 459 OH TYR A 41 97.306 -6.529 -16.148 1.00 0.00 O ATOM 0 H TYR A 41 103.624 -6.200 -11.700 1.00 0.00 H new ATOM 0 HA TYR A 41 102.511 -7.950 -13.647 1.00 0.00 H new ATOM 0 HB2 TYR A 41 102.273 -5.285 -12.828 1.00 0.00 H new ATOM 0 HB3 TYR A 41 102.997 -5.146 -14.418 1.00 0.00 H new ATOM 0 HD1 TYR A 41 100.194 -6.975 -12.712 1.00 0.00 H new ATOM 0 HD2 TYR A 41 101.574 -5.077 -16.267 1.00 0.00 H new ATOM 0 HE1 TYR A 41 97.985 -7.287 -13.735 1.00 0.00 H new ATOM 0 HE2 TYR A 41 99.367 -5.393 -17.294 1.00 0.00 H new ATOM 0 HH TYR A 41 97.311 -6.159 -17.055 1.00 0.00 H new ATOM 469 N LEU A 42 103.997 -6.861 -15.823 1.00 0.00 N ATOM 470 CA LEU A 42 104.955 -6.962 -16.924 1.00 0.00 C ATOM 471 C LEU A 42 106.309 -6.342 -16.570 1.00 0.00 C ATOM 472 O LEU A 42 107.350 -6.982 -16.737 1.00 0.00 O ATOM 473 CB LEU A 42 104.389 -6.288 -18.176 1.00 0.00 C ATOM 474 CG LEU A 42 103.514 -7.184 -19.056 1.00 0.00 C ATOM 475 CD1 LEU A 42 102.463 -6.358 -19.781 1.00 0.00 C ATOM 476 CD2 LEU A 42 104.372 -7.955 -20.050 1.00 0.00 C ATOM 0 H LEU A 42 103.096 -6.465 -16.090 1.00 0.00 H new ATOM 0 HA LEU A 42 105.117 -8.023 -17.116 1.00 0.00 H new ATOM 0 HB2 LEU A 42 103.803 -5.422 -17.870 1.00 0.00 H new ATOM 0 HB3 LEU A 42 105.219 -5.915 -18.776 1.00 0.00 H new ATOM 0 HG LEU A 42 103.002 -7.902 -18.416 1.00 0.00 H new ATOM 0 HD11 LEU A 42 101.851 -7.012 -20.402 1.00 0.00 H new ATOM 0 HD12 LEU A 42 101.830 -5.853 -19.051 1.00 0.00 H new ATOM 0 HD13 LEU A 42 102.954 -5.616 -20.410 1.00 0.00 H new ATOM 0 HD21 LEU A 42 103.734 -8.587 -20.668 1.00 0.00 H new ATOM 0 HD22 LEU A 42 104.912 -7.253 -20.686 1.00 0.00 H new ATOM 0 HD23 LEU A 42 105.085 -8.577 -19.509 1.00 0.00 H new ATOM 488 N PRO A 43 106.326 -5.083 -16.091 1.00 0.00 N ATOM 489 CA PRO A 43 107.573 -4.391 -15.735 1.00 0.00 C ATOM 490 C PRO A 43 108.277 -4.982 -14.513 1.00 0.00 C ATOM 491 O PRO A 43 109.113 -4.320 -13.896 1.00 0.00 O ATOM 492 CB PRO A 43 107.117 -2.958 -15.447 1.00 0.00 C ATOM 493 CG PRO A 43 105.680 -3.080 -15.076 1.00 0.00 C ATOM 494 CD PRO A 43 105.141 -4.232 -15.875 1.00 0.00 C ATOM 0 HA PRO A 43 108.309 -4.475 -16.535 1.00 0.00 H new ATOM 0 HB2 PRO A 43 107.697 -2.514 -14.638 1.00 0.00 H new ATOM 0 HB3 PRO A 43 107.247 -2.319 -16.321 1.00 0.00 H new ATOM 0 HG2 PRO A 43 105.567 -3.260 -14.007 1.00 0.00 H new ATOM 0 HG3 PRO A 43 105.139 -2.161 -15.303 1.00 0.00 H new ATOM 0 HD2 PRO A 43 104.358 -4.764 -15.335 1.00 0.00 H new ATOM 0 HD3 PRO A 43 104.708 -3.899 -16.818 1.00 0.00 H new ATOM 502 N ALA A 44 107.953 -6.226 -14.167 1.00 0.00 N ATOM 503 CA ALA A 44 108.574 -6.885 -13.026 1.00 0.00 C ATOM 504 C ALA A 44 109.019 -8.303 -13.380 1.00 0.00 C ATOM 505 O ALA A 44 109.373 -9.089 -12.502 1.00 0.00 O ATOM 506 CB ALA A 44 107.618 -6.907 -11.844 1.00 0.00 C ATOM 0 H ALA A 44 107.265 -6.795 -14.661 1.00 0.00 H new ATOM 0 HA ALA A 44 109.461 -6.315 -12.750 1.00 0.00 H new ATOM 0 HB1 ALA A 44 108.096 -7.403 -10.999 1.00 0.00 H new ATOM 0 HB2 ALA A 44 107.359 -5.885 -11.567 1.00 0.00 H new ATOM 0 HB3 ALA A 44 106.713 -7.449 -12.118 1.00 0.00 H new ATOM 512 N VAL A 45 109.007 -8.620 -14.673 1.00 0.00 N ATOM 513 CA VAL A 45 109.413 -9.938 -15.144 1.00 0.00 C ATOM 514 C VAL A 45 110.929 -10.096 -15.088 1.00 0.00 C ATOM 515 O VAL A 45 111.442 -11.187 -14.840 1.00 0.00 O ATOM 516 CB VAL A 45 108.938 -10.190 -16.589 1.00 0.00 C ATOM 517 CG1 VAL A 45 109.254 -11.615 -17.016 1.00 0.00 C ATOM 518 CG2 VAL A 45 107.450 -9.904 -16.723 1.00 0.00 C ATOM 0 H VAL A 45 108.720 -7.979 -15.413 1.00 0.00 H new ATOM 0 HA VAL A 45 108.946 -10.668 -14.483 1.00 0.00 H new ATOM 0 HB VAL A 45 109.475 -9.509 -17.250 1.00 0.00 H new ATOM 0 HG11 VAL A 45 108.911 -11.773 -18.038 1.00 0.00 H new ATOM 0 HG12 VAL A 45 110.330 -11.780 -16.965 1.00 0.00 H new ATOM 0 HG13 VAL A 45 108.748 -12.315 -16.351 1.00 0.00 H new ATOM 0 HG21 VAL A 45 107.135 -10.088 -17.750 1.00 0.00 H new ATOM 0 HG22 VAL A 45 106.892 -10.556 -16.050 1.00 0.00 H new ATOM 0 HG23 VAL A 45 107.255 -8.863 -16.465 1.00 0.00 H new ATOM 528 N ASP A 46 111.640 -8.999 -15.320 1.00 0.00 N ATOM 529 CA ASP A 46 113.099 -9.013 -15.297 1.00 0.00 C ATOM 530 C ASP A 46 113.621 -9.013 -13.866 1.00 0.00 C ATOM 531 O ASP A 46 114.735 -9.466 -13.602 1.00 0.00 O ATOM 532 CB ASP A 46 113.652 -7.806 -16.058 1.00 0.00 C ATOM 533 CG ASP A 46 114.501 -8.210 -17.247 1.00 0.00 C ATOM 534 OD1 ASP A 46 115.420 -9.038 -17.068 1.00 0.00 O ATOM 535 OD2 ASP A 46 114.250 -7.698 -18.358 1.00 0.00 O ATOM 0 H ASP A 46 111.230 -8.088 -15.526 1.00 0.00 H new ATOM 0 HA ASP A 46 113.438 -9.927 -15.785 1.00 0.00 H new ATOM 0 HB2 ASP A 46 112.824 -7.186 -16.401 1.00 0.00 H new ATOM 0 HB3 ASP A 46 114.248 -7.195 -15.380 1.00 0.00 H new ATOM 540 N GLU A 47 112.813 -8.499 -12.945 1.00 0.00 N ATOM 541 CA GLU A 47 113.202 -8.443 -11.546 1.00 0.00 C ATOM 542 C GLU A 47 113.081 -9.814 -10.894 1.00 0.00 C ATOM 543 O GLU A 47 114.036 -10.319 -10.310 1.00 0.00 O ATOM 544 CB GLU A 47 112.338 -7.435 -10.791 1.00 0.00 C ATOM 545 CG GLU A 47 112.621 -5.988 -11.161 1.00 0.00 C ATOM 546 CD GLU A 47 111.735 -5.013 -10.411 1.00 0.00 C ATOM 547 OE1 GLU A 47 110.513 -5.004 -10.665 1.00 0.00 O ATOM 548 OE2 GLU A 47 112.265 -4.258 -9.568 1.00 0.00 O ATOM 0 H GLU A 47 111.888 -8.117 -13.144 1.00 0.00 H new ATOM 0 HA GLU A 47 114.244 -8.125 -11.500 1.00 0.00 H new ATOM 0 HB2 GLU A 47 111.288 -7.652 -10.987 1.00 0.00 H new ATOM 0 HB3 GLU A 47 112.496 -7.564 -9.720 1.00 0.00 H new ATOM 0 HG2 GLU A 47 113.666 -5.760 -10.950 1.00 0.00 H new ATOM 0 HG3 GLU A 47 112.476 -5.855 -12.233 1.00 0.00 H new ATOM 555 N LYS A 48 111.905 -10.422 -11.007 1.00 0.00 N ATOM 556 CA LYS A 48 111.678 -11.742 -10.425 1.00 0.00 C ATOM 557 C LYS A 48 112.778 -12.708 -10.853 1.00 0.00 C ATOM 558 O LYS A 48 113.166 -13.600 -10.099 1.00 0.00 O ATOM 559 CB LYS A 48 110.309 -12.285 -10.837 1.00 0.00 C ATOM 560 CG LYS A 48 110.070 -12.258 -12.337 1.00 0.00 C ATOM 561 CD LYS A 48 109.664 -13.625 -12.865 1.00 0.00 C ATOM 562 CE LYS A 48 110.099 -13.814 -14.309 1.00 0.00 C ATOM 563 NZ LYS A 48 109.568 -15.076 -14.890 1.00 0.00 N ATOM 0 H LYS A 48 111.099 -10.027 -11.492 1.00 0.00 H new ATOM 0 HA LYS A 48 111.699 -11.645 -9.340 1.00 0.00 H new ATOM 0 HB2 LYS A 48 110.212 -13.310 -10.481 1.00 0.00 H new ATOM 0 HB3 LYS A 48 109.532 -11.701 -10.343 1.00 0.00 H new ATOM 0 HG2 LYS A 48 109.291 -11.532 -12.569 1.00 0.00 H new ATOM 0 HG3 LYS A 48 110.976 -11.926 -12.844 1.00 0.00 H new ATOM 0 HD2 LYS A 48 110.109 -14.403 -12.245 1.00 0.00 H new ATOM 0 HD3 LYS A 48 108.582 -13.738 -12.792 1.00 0.00 H new ATOM 0 HE2 LYS A 48 109.756 -12.968 -14.905 1.00 0.00 H new ATOM 0 HE3 LYS A 48 111.188 -13.820 -14.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 109.888 -15.166 -15.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 109.916 -15.886 -14.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 108.528 -15.060 -14.864 1.00 0.00 H new ATOM 577 N LEU A 49 113.276 -12.515 -12.069 1.00 0.00 N ATOM 578 CA LEU A 49 114.334 -13.356 -12.609 1.00 0.00 C ATOM 579 C LEU A 49 115.713 -12.756 -12.330 1.00 0.00 C ATOM 580 O LEU A 49 116.728 -13.440 -12.449 1.00 0.00 O ATOM 581 CB LEU A 49 114.121 -13.548 -14.114 1.00 0.00 C ATOM 582 CG LEU A 49 114.826 -12.539 -15.027 1.00 0.00 C ATOM 583 CD1 LEU A 49 116.237 -13.008 -15.353 1.00 0.00 C ATOM 584 CD2 LEU A 49 114.025 -12.333 -16.303 1.00 0.00 C ATOM 0 H LEU A 49 112.961 -11.779 -12.701 1.00 0.00 H new ATOM 0 HA LEU A 49 114.293 -14.327 -12.116 1.00 0.00 H new ATOM 0 HB2 LEU A 49 114.458 -14.549 -14.384 1.00 0.00 H new ATOM 0 HB3 LEU A 49 113.051 -13.506 -14.318 1.00 0.00 H new ATOM 0 HG LEU A 49 114.895 -11.586 -14.502 1.00 0.00 H new ATOM 0 HD11 LEU A 49 116.722 -12.279 -16.002 1.00 0.00 H new ATOM 0 HD12 LEU A 49 116.809 -13.110 -14.431 1.00 0.00 H new ATOM 0 HD13 LEU A 49 116.192 -13.972 -15.860 1.00 0.00 H new ATOM 0 HD21 LEU A 49 114.537 -11.614 -16.942 1.00 0.00 H new ATOM 0 HD22 LEU A 49 113.929 -13.283 -16.830 1.00 0.00 H new ATOM 0 HD23 LEU A 49 113.034 -11.955 -16.053 1.00 0.00 H new ATOM 596 N ARG A 50 115.744 -11.474 -11.964 1.00 0.00 N ATOM 597 CA ARG A 50 117.004 -10.795 -11.675 1.00 0.00 C ATOM 598 C ARG A 50 116.825 -9.731 -10.594 1.00 0.00 C ATOM 599 O ARG A 50 116.702 -8.543 -10.893 1.00 0.00 O ATOM 600 CB ARG A 50 117.561 -10.156 -12.948 1.00 0.00 C ATOM 601 CG ARG A 50 119.080 -10.126 -13.003 1.00 0.00 C ATOM 602 CD ARG A 50 119.609 -10.828 -14.244 1.00 0.00 C ATOM 603 NE ARG A 50 119.139 -10.193 -15.473 1.00 0.00 N ATOM 604 CZ ARG A 50 119.213 -10.758 -16.676 1.00 0.00 C ATOM 605 NH1 ARG A 50 119.729 -11.973 -16.817 1.00 0.00 N ATOM 606 NH2 ARG A 50 118.764 -10.107 -17.740 1.00 0.00 N ATOM 0 H ARG A 50 114.915 -10.889 -11.862 1.00 0.00 H new ATOM 0 HA ARG A 50 117.710 -11.539 -11.306 1.00 0.00 H new ATOM 0 HB2 ARG A 50 117.186 -10.703 -13.813 1.00 0.00 H new ATOM 0 HB3 ARG A 50 117.183 -9.137 -13.027 1.00 0.00 H new ATOM 0 HG2 ARG A 50 119.425 -9.092 -12.994 1.00 0.00 H new ATOM 0 HG3 ARG A 50 119.486 -10.605 -12.112 1.00 0.00 H new ATOM 0 HD2 ARG A 50 120.699 -10.823 -14.227 1.00 0.00 H new ATOM 0 HD3 ARG A 50 119.295 -11.872 -14.232 1.00 0.00 H new ATOM 0 HE ARG A 50 118.730 -9.261 -15.405 1.00 0.00 H new ATOM 0 HH11 ARG A 50 120.072 -12.479 -16.001 1.00 0.00 H new ATOM 0 HH12 ARG A 50 119.783 -12.400 -17.742 1.00 0.00 H new ATOM 0 HH21 ARG A 50 118.363 -9.175 -17.636 1.00 0.00 H new ATOM 0 HH22 ARG A 50 118.820 -10.538 -18.663 1.00 0.00 H new ATOM 620 N ASP A 51 116.825 -10.163 -9.335 1.00 0.00 N ATOM 621 CA ASP A 51 116.675 -9.244 -8.208 1.00 0.00 C ATOM 622 C ASP A 51 117.250 -9.850 -6.933 1.00 0.00 C ATOM 623 O ASP A 51 118.028 -9.207 -6.230 1.00 0.00 O ATOM 624 CB ASP A 51 115.203 -8.882 -7.986 1.00 0.00 C ATOM 625 CG ASP A 51 114.893 -7.454 -8.384 1.00 0.00 C ATOM 626 OD1 ASP A 51 115.543 -6.944 -9.320 1.00 0.00 O ATOM 627 OD2 ASP A 51 113.999 -6.844 -7.760 1.00 0.00 O ATOM 0 H ASP A 51 116.927 -11.142 -9.069 1.00 0.00 H new ATOM 0 HA ASP A 51 117.228 -8.336 -8.450 1.00 0.00 H new ATOM 0 HB2 ASP A 51 114.574 -9.561 -8.561 1.00 0.00 H new ATOM 0 HB3 ASP A 51 114.951 -9.026 -6.935 1.00 0.00 H new ATOM 632 N LEU A 52 116.865 -11.091 -6.643 1.00 0.00 N ATOM 633 CA LEU A 52 117.342 -11.790 -5.451 1.00 0.00 C ATOM 634 C LEU A 52 118.834 -11.555 -5.243 1.00 0.00 C ATOM 635 O LEU A 52 119.317 -11.505 -4.112 1.00 0.00 O ATOM 636 CB LEU A 52 117.058 -13.290 -5.566 1.00 0.00 C ATOM 637 CG LEU A 52 117.456 -13.922 -6.902 1.00 0.00 C ATOM 638 CD1 LEU A 52 118.894 -14.412 -6.850 1.00 0.00 C ATOM 639 CD2 LEU A 52 116.513 -15.064 -7.250 1.00 0.00 C ATOM 0 H LEU A 52 116.222 -11.635 -7.219 1.00 0.00 H new ATOM 0 HA LEU A 52 116.808 -11.392 -4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 52 117.586 -13.807 -4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 52 115.993 -13.456 -5.405 1.00 0.00 H new ATOM 0 HG LEU A 52 117.380 -13.164 -7.681 1.00 0.00 H new ATOM 0 HD11 LEU A 52 119.161 -14.859 -7.808 1.00 0.00 H new ATOM 0 HD12 LEU A 52 119.557 -13.572 -6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 52 118.996 -15.157 -6.061 1.00 0.00 H new ATOM 0 HD21 LEU A 52 116.809 -15.503 -8.203 1.00 0.00 H new ATOM 0 HD22 LEU A 52 116.559 -15.824 -6.470 1.00 0.00 H new ATOM 0 HD23 LEU A 52 115.494 -14.684 -7.327 1.00 0.00 H new ATOM 651 N TYR A 53 119.551 -11.399 -6.348 1.00 0.00 N ATOM 652 CA TYR A 53 120.990 -11.157 -6.305 1.00 0.00 C ATOM 653 C TYR A 53 121.288 -9.682 -6.058 1.00 0.00 C ATOM 654 O TYR A 53 121.992 -9.329 -5.111 1.00 0.00 O ATOM 655 CB TYR A 53 121.634 -11.595 -7.618 1.00 0.00 C ATOM 656 CG TYR A 53 123.003 -12.205 -7.431 1.00 0.00 C ATOM 657 CD1 TYR A 53 123.147 -13.552 -7.129 1.00 0.00 C ATOM 658 CD2 TYR A 53 124.150 -11.428 -7.535 1.00 0.00 C ATOM 659 CE1 TYR A 53 124.397 -14.110 -6.938 1.00 0.00 C ATOM 660 CE2 TYR A 53 125.403 -11.979 -7.349 1.00 0.00 C ATOM 661 CZ TYR A 53 125.521 -13.319 -7.049 1.00 0.00 C ATOM 662 OH TYR A 53 126.768 -13.871 -6.859 1.00 0.00 O ATOM 0 H TYR A 53 119.159 -11.436 -7.289 1.00 0.00 H new ATOM 0 HA TYR A 53 121.406 -11.739 -5.483 1.00 0.00 H new ATOM 0 HB2 TYR A 53 120.985 -12.318 -8.111 1.00 0.00 H new ATOM 0 HB3 TYR A 53 121.714 -10.734 -8.282 1.00 0.00 H new ATOM 0 HD1 TYR A 53 122.268 -14.174 -7.042 1.00 0.00 H new ATOM 0 HD2 TYR A 53 124.061 -10.377 -7.765 1.00 0.00 H new ATOM 0 HE1 TYR A 53 124.493 -15.160 -6.703 1.00 0.00 H new ATOM 0 HE2 TYR A 53 126.286 -11.363 -7.438 1.00 0.00 H new ATOM 0 HH TYR A 53 127.453 -13.179 -6.974 1.00 0.00 H new ATOM 672 N SER A 54 120.749 -8.826 -6.922 1.00 0.00 N ATOM 673 CA SER A 54 120.959 -7.381 -6.814 1.00 0.00 C ATOM 674 C SER A 54 120.100 -6.750 -5.719 1.00 0.00 C ATOM 675 O SER A 54 119.991 -5.528 -5.637 1.00 0.00 O ATOM 676 CB SER A 54 120.670 -6.703 -8.155 1.00 0.00 C ATOM 677 OG SER A 54 121.818 -6.697 -8.991 1.00 0.00 O ATOM 0 H SER A 54 120.162 -9.107 -7.707 1.00 0.00 H new ATOM 0 HA SER A 54 122.003 -7.228 -6.541 1.00 0.00 H new ATOM 0 HB2 SER A 54 119.854 -7.222 -8.658 1.00 0.00 H new ATOM 0 HB3 SER A 54 120.338 -5.679 -7.983 1.00 0.00 H new ATOM 0 HG SER A 54 121.602 -6.259 -9.841 1.00 0.00 H new ATOM 683 N LYS A 55 119.510 -7.582 -4.871 1.00 0.00 N ATOM 684 CA LYS A 55 118.683 -7.095 -3.771 1.00 0.00 C ATOM 685 C LYS A 55 119.216 -7.593 -2.427 1.00 0.00 C ATOM 686 O LYS A 55 118.774 -7.143 -1.370 1.00 0.00 O ATOM 687 CB LYS A 55 117.224 -7.525 -3.951 1.00 0.00 C ATOM 688 CG LYS A 55 116.232 -6.375 -3.850 1.00 0.00 C ATOM 689 CD LYS A 55 114.902 -6.728 -4.498 1.00 0.00 C ATOM 690 CE LYS A 55 113.917 -5.571 -4.423 1.00 0.00 C ATOM 691 NZ LYS A 55 113.860 -4.975 -3.060 1.00 0.00 N ATOM 0 H LYS A 55 119.588 -8.598 -4.922 1.00 0.00 H new ATOM 0 HA LYS A 55 118.726 -6.006 -3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 55 117.113 -8.005 -4.923 1.00 0.00 H new ATOM 0 HB3 LYS A 55 116.979 -8.273 -3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 55 116.072 -6.122 -2.802 1.00 0.00 H new ATOM 0 HG3 LYS A 55 116.649 -5.490 -4.331 1.00 0.00 H new ATOM 0 HD2 LYS A 55 115.066 -7.000 -5.541 1.00 0.00 H new ATOM 0 HD3 LYS A 55 114.476 -7.601 -4.004 1.00 0.00 H new ATOM 0 HE2 LYS A 55 114.203 -4.804 -5.142 1.00 0.00 H new ATOM 0 HE3 LYS A 55 112.925 -5.921 -4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 113.015 -4.374 -2.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 113.814 -5.734 -2.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 114.711 -4.400 -2.897 1.00 0.00 H new ATOM 705 N SER A 56 120.173 -8.519 -2.472 1.00 0.00 N ATOM 706 CA SER A 56 120.767 -9.070 -1.257 1.00 0.00 C ATOM 707 C SER A 56 122.268 -8.789 -1.198 1.00 0.00 C ATOM 708 O SER A 56 122.951 -9.235 -0.277 1.00 0.00 O ATOM 709 CB SER A 56 120.519 -10.576 -1.186 1.00 0.00 C ATOM 710 OG SER A 56 119.490 -10.883 -0.262 1.00 0.00 O ATOM 0 H SER A 56 120.553 -8.903 -3.337 1.00 0.00 H new ATOM 0 HA SER A 56 120.295 -8.585 -0.403 1.00 0.00 H new ATOM 0 HB2 SER A 56 120.248 -10.949 -2.173 1.00 0.00 H new ATOM 0 HB3 SER A 56 121.437 -11.085 -0.894 1.00 0.00 H new ATOM 0 HG SER A 56 119.351 -11.853 -0.238 1.00 0.00 H new ATOM 716 N THR A 57 122.777 -8.048 -2.179 1.00 0.00 N ATOM 717 CA THR A 57 124.196 -7.715 -2.223 1.00 0.00 C ATOM 718 C THR A 57 124.411 -6.203 -2.240 1.00 0.00 C ATOM 719 O THR A 57 125.500 -5.723 -1.928 1.00 0.00 O ATOM 720 CB THR A 57 124.855 -8.344 -3.449 1.00 0.00 C ATOM 721 OG1 THR A 57 126.253 -8.104 -3.448 1.00 0.00 O ATOM 722 CG2 THR A 57 124.304 -7.823 -4.759 1.00 0.00 C ATOM 0 H THR A 57 122.229 -7.668 -2.951 1.00 0.00 H new ATOM 0 HA THR A 57 124.657 -8.118 -1.321 1.00 0.00 H new ATOM 0 HB THR A 57 124.636 -9.409 -3.378 1.00 0.00 H new ATOM 0 HG1 THR A 57 126.656 -8.516 -4.240 1.00 0.00 H new ATOM 0 HG21 THR A 57 124.816 -8.311 -5.589 1.00 0.00 H new ATOM 0 HG22 THR A 57 123.237 -8.036 -4.815 1.00 0.00 H new ATOM 0 HG23 THR A 57 124.463 -6.746 -4.818 1.00 0.00 H new ATOM 730 N ALA A 58 123.374 -5.453 -2.610 1.00 0.00 N ATOM 731 CA ALA A 58 123.473 -4.000 -2.663 1.00 0.00 C ATOM 732 C ALA A 58 122.217 -3.336 -2.117 1.00 0.00 C ATOM 733 O ALA A 58 122.299 -2.401 -1.321 1.00 0.00 O ATOM 734 CB ALA A 58 123.740 -3.539 -4.087 1.00 0.00 C ATOM 0 H ALA A 58 122.463 -5.827 -2.875 1.00 0.00 H new ATOM 0 HA ALA A 58 124.309 -3.700 -2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 58 123.811 -2.452 -4.110 1.00 0.00 H new ATOM 0 HB2 ALA A 58 124.676 -3.972 -4.440 1.00 0.00 H new ATOM 0 HB3 ALA A 58 122.924 -3.863 -4.733 1.00 0.00 H new ATOM 740 N ALA A 59 121.056 -3.818 -2.544 1.00 0.00 N ATOM 741 CA ALA A 59 119.796 -3.253 -2.079 1.00 0.00 C ATOM 742 C ALA A 59 119.613 -3.460 -0.578 1.00 0.00 C ATOM 743 O ALA A 59 118.736 -2.851 0.031 1.00 0.00 O ATOM 744 CB ALA A 59 118.623 -3.847 -2.844 1.00 0.00 C ATOM 0 H ALA A 59 120.961 -4.590 -3.204 1.00 0.00 H new ATOM 0 HA ALA A 59 119.827 -2.180 -2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 59 117.693 -3.411 -2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 59 118.734 -3.630 -3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 59 118.600 -4.926 -2.694 1.00 0.00 H new ATOM 750 N MET A 60 120.442 -4.317 0.024 1.00 0.00 N ATOM 751 CA MET A 60 120.341 -4.578 1.459 1.00 0.00 C ATOM 752 C MET A 60 121.392 -3.792 2.235 1.00 0.00 C ATOM 753 O MET A 60 121.125 -3.299 3.332 1.00 0.00 O ATOM 754 CB MET A 60 120.483 -6.072 1.753 1.00 0.00 C ATOM 755 CG MET A 60 121.796 -6.673 1.283 1.00 0.00 C ATOM 756 SD MET A 60 122.776 -7.356 2.633 1.00 0.00 S ATOM 757 CE MET A 60 123.929 -6.019 2.920 1.00 0.00 C ATOM 0 H MET A 60 121.180 -4.835 -0.453 1.00 0.00 H new ATOM 0 HA MET A 60 119.354 -4.250 1.784 1.00 0.00 H new ATOM 0 HB2 MET A 60 120.387 -6.231 2.827 1.00 0.00 H new ATOM 0 HB3 MET A 60 119.660 -6.605 1.277 1.00 0.00 H new ATOM 0 HG2 MET A 60 121.591 -7.459 0.556 1.00 0.00 H new ATOM 0 HG3 MET A 60 122.377 -5.907 0.770 1.00 0.00 H new ATOM 0 HE1 MET A 60 124.801 -6.399 3.452 1.00 0.00 H new ATOM 0 HE2 MET A 60 124.242 -5.597 1.965 1.00 0.00 H new ATOM 0 HE3 MET A 60 123.447 -5.245 3.518 1.00 0.00 H new ATOM 767 N SER A 61 122.584 -3.674 1.661 1.00 0.00 N ATOM 768 CA SER A 61 123.668 -2.941 2.303 1.00 0.00 C ATOM 769 C SER A 61 123.410 -1.442 2.232 1.00 0.00 C ATOM 770 O SER A 61 123.787 -0.694 3.135 1.00 0.00 O ATOM 771 CB SER A 61 125.012 -3.275 1.649 1.00 0.00 C ATOM 772 OG SER A 61 124.834 -3.776 0.336 1.00 0.00 O ATOM 0 H SER A 61 122.824 -4.076 0.754 1.00 0.00 H new ATOM 0 HA SER A 61 123.709 -3.243 3.350 1.00 0.00 H new ATOM 0 HB2 SER A 61 125.636 -2.382 1.618 1.00 0.00 H new ATOM 0 HB3 SER A 61 125.540 -4.012 2.254 1.00 0.00 H new ATOM 0 HG SER A 61 125.708 -3.979 -0.058 1.00 0.00 H new ATOM 778 N THR A 62 122.759 -1.010 1.158 1.00 0.00 N ATOM 779 CA THR A 62 122.441 0.400 0.973 1.00 0.00 C ATOM 780 C THR A 62 121.195 0.779 1.767 1.00 0.00 C ATOM 781 O THR A 62 121.001 1.944 2.112 1.00 0.00 O ATOM 782 CB THR A 62 122.228 0.713 -0.510 1.00 0.00 C ATOM 783 OG1 THR A 62 123.347 0.301 -1.277 1.00 0.00 O ATOM 784 CG2 THR A 62 122.003 2.186 -0.779 1.00 0.00 C ATOM 0 H THR A 62 122.441 -1.617 0.402 1.00 0.00 H new ATOM 0 HA THR A 62 123.283 0.987 1.340 1.00 0.00 H new ATOM 0 HB THR A 62 121.332 0.164 -0.798 1.00 0.00 H new ATOM 0 HG1 THR A 62 123.285 -0.660 -1.456 1.00 0.00 H new ATOM 0 HG21 THR A 62 121.859 2.343 -1.848 1.00 0.00 H new ATOM 0 HG22 THR A 62 121.118 2.523 -0.240 1.00 0.00 H new ATOM 0 HG23 THR A 62 122.871 2.754 -0.443 1.00 0.00 H new ATOM 792 N TYR A 63 120.357 -0.215 2.063 1.00 0.00 N ATOM 793 CA TYR A 63 119.137 0.005 2.818 1.00 0.00 C ATOM 794 C TYR A 63 119.463 0.377 4.256 1.00 0.00 C ATOM 795 O TYR A 63 118.745 1.152 4.888 1.00 0.00 O ATOM 796 CB TYR A 63 118.293 -1.257 2.787 1.00 0.00 C ATOM 797 CG TYR A 63 116.857 -1.028 2.369 1.00 0.00 C ATOM 798 CD1 TYR A 63 116.115 0.016 2.908 1.00 0.00 C ATOM 799 CD2 TYR A 63 116.245 -1.852 1.434 1.00 0.00 C ATOM 800 CE1 TYR A 63 114.805 0.231 2.525 1.00 0.00 C ATOM 801 CE2 TYR A 63 114.935 -1.643 1.046 1.00 0.00 C ATOM 802 CZ TYR A 63 114.220 -0.600 1.594 1.00 0.00 C ATOM 803 OH TYR A 63 112.916 -0.387 1.210 1.00 0.00 O ATOM 0 H TYR A 63 120.508 -1.185 1.786 1.00 0.00 H new ATOM 0 HA TYR A 63 118.581 0.827 2.367 1.00 0.00 H new ATOM 0 HB2 TYR A 63 118.750 -1.971 2.102 1.00 0.00 H new ATOM 0 HB3 TYR A 63 118.304 -1.713 3.777 1.00 0.00 H new ATOM 0 HD1 TYR A 63 116.569 0.670 3.638 1.00 0.00 H new ATOM 0 HD2 TYR A 63 116.802 -2.670 1.002 1.00 0.00 H new ATOM 0 HE1 TYR A 63 114.242 1.047 2.953 1.00 0.00 H new ATOM 0 HE2 TYR A 63 114.474 -2.293 0.317 1.00 0.00 H new ATOM 0 HH TYR A 63 112.656 -1.060 0.546 1.00 0.00 H new ATOM 813 N THR A 64 120.563 -0.173 4.763 1.00 0.00 N ATOM 814 CA THR A 64 120.999 0.115 6.125 1.00 0.00 C ATOM 815 C THR A 64 121.106 1.619 6.319 1.00 0.00 C ATOM 816 O THR A 64 120.951 2.136 7.426 1.00 0.00 O ATOM 817 CB THR A 64 122.344 -0.555 6.416 1.00 0.00 C ATOM 818 OG1 THR A 64 123.401 0.155 5.795 1.00 0.00 O ATOM 819 CG2 THR A 64 122.414 -1.991 5.940 1.00 0.00 C ATOM 0 H THR A 64 121.166 -0.818 4.253 1.00 0.00 H new ATOM 0 HA THR A 64 120.263 -0.286 6.822 1.00 0.00 H new ATOM 0 HB THR A 64 122.444 -0.544 7.501 1.00 0.00 H new ATOM 0 HG1 THR A 64 123.512 -0.162 4.874 1.00 0.00 H new ATOM 0 HG21 THR A 64 123.394 -2.406 6.178 1.00 0.00 H new ATOM 0 HG22 THR A 64 121.641 -2.577 6.437 1.00 0.00 H new ATOM 0 HG23 THR A 64 122.257 -2.025 4.862 1.00 0.00 H new ATOM 827 N GLY A 65 121.344 2.310 5.215 1.00 0.00 N ATOM 828 CA GLY A 65 121.441 3.751 5.240 1.00 0.00 C ATOM 829 C GLY A 65 120.096 4.399 4.986 1.00 0.00 C ATOM 830 O GLY A 65 119.850 5.524 5.422 1.00 0.00 O ATOM 0 H GLY A 65 121.473 1.891 4.294 1.00 0.00 H new ATOM 0 HA2 GLY A 65 121.826 4.075 6.207 1.00 0.00 H new ATOM 0 HA3 GLY A 65 122.155 4.082 4.486 1.00 0.00 H new ATOM 834 N ILE A 66 119.216 3.679 4.285 1.00 0.00 N ATOM 835 CA ILE A 66 117.884 4.186 3.985 1.00 0.00 C ATOM 836 C ILE A 66 116.910 3.872 5.116 1.00 0.00 C ATOM 837 O ILE A 66 115.776 4.354 5.123 1.00 0.00 O ATOM 838 CB ILE A 66 117.333 3.596 2.672 1.00 0.00 C ATOM 839 CG1 ILE A 66 118.359 3.748 1.545 1.00 0.00 C ATOM 840 CG2 ILE A 66 116.019 4.269 2.294 1.00 0.00 C ATOM 841 CD1 ILE A 66 118.802 5.176 1.317 1.00 0.00 C ATOM 0 H ILE A 66 119.406 2.747 3.918 1.00 0.00 H new ATOM 0 HA ILE A 66 117.978 5.266 3.875 1.00 0.00 H new ATOM 0 HB ILE A 66 117.143 2.533 2.824 1.00 0.00 H new ATOM 0 HG12 ILE A 66 119.232 3.138 1.776 1.00 0.00 H new ATOM 0 HG13 ILE A 66 117.932 3.357 0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 66 115.645 3.840 1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 66 115.288 4.111 3.087 1.00 0.00 H new ATOM 0 HG23 ILE A 66 116.183 5.338 2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 66 119.528 5.206 0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 66 117.939 5.787 1.055 1.00 0.00 H new ATOM 0 HD13 ILE A 66 119.259 5.565 2.227 1.00 0.00 H new ATOM 853 N PHE A 67 117.357 3.064 6.073 1.00 0.00 N ATOM 854 CA PHE A 67 116.532 2.689 7.205 1.00 0.00 C ATOM 855 C PHE A 67 116.108 3.921 7.992 1.00 0.00 C ATOM 856 O PHE A 67 114.931 4.102 8.305 1.00 0.00 O ATOM 857 CB PHE A 67 117.312 1.728 8.095 1.00 0.00 C ATOM 858 CG PHE A 67 116.508 0.546 8.561 1.00 0.00 C ATOM 859 CD1 PHE A 67 116.350 -0.564 7.748 1.00 0.00 C ATOM 860 CD2 PHE A 67 115.909 0.548 9.811 1.00 0.00 C ATOM 861 CE1 PHE A 67 115.610 -1.651 8.171 1.00 0.00 C ATOM 862 CE2 PHE A 67 115.168 -0.538 10.240 1.00 0.00 C ATOM 863 CZ PHE A 67 115.018 -1.638 9.420 1.00 0.00 C ATOM 0 H PHE A 67 118.292 2.657 6.082 1.00 0.00 H new ATOM 0 HA PHE A 67 115.629 2.196 6.845 1.00 0.00 H new ATOM 0 HB2 PHE A 67 118.185 1.370 7.550 1.00 0.00 H new ATOM 0 HB3 PHE A 67 117.680 2.271 8.965 1.00 0.00 H new ATOM 0 HD1 PHE A 67 116.811 -0.580 6.771 1.00 0.00 H new ATOM 0 HD2 PHE A 67 116.022 1.406 10.457 1.00 0.00 H new ATOM 0 HE1 PHE A 67 115.494 -2.510 7.527 1.00 0.00 H new ATOM 0 HE2 PHE A 67 114.707 -0.525 11.216 1.00 0.00 H new ATOM 0 HZ PHE A 67 114.439 -2.487 9.753 1.00 0.00 H new ATOM 873 N THR A 68 117.079 4.774 8.290 1.00 0.00 N ATOM 874 CA THR A 68 116.822 6.005 9.027 1.00 0.00 C ATOM 875 C THR A 68 116.089 7.014 8.147 1.00 0.00 C ATOM 876 O THR A 68 115.351 7.866 8.642 1.00 0.00 O ATOM 877 CB THR A 68 118.135 6.609 9.533 1.00 0.00 C ATOM 878 OG1 THR A 68 119.212 5.707 9.342 1.00 0.00 O ATOM 879 CG2 THR A 68 118.099 6.976 11.001 1.00 0.00 C ATOM 0 H THR A 68 118.056 4.635 8.032 1.00 0.00 H new ATOM 0 HA THR A 68 116.192 5.765 9.883 1.00 0.00 H new ATOM 0 HB THR A 68 118.275 7.519 8.950 1.00 0.00 H new ATOM 0 HG1 THR A 68 120.041 6.113 9.670 1.00 0.00 H new ATOM 0 HG21 THR A 68 119.060 7.398 11.294 1.00 0.00 H new ATOM 0 HG22 THR A 68 117.312 7.711 11.173 1.00 0.00 H new ATOM 0 HG23 THR A 68 117.898 6.084 11.594 1.00 0.00 H new ATOM 887 N ASP A 69 116.297 6.908 6.835 1.00 0.00 N ATOM 888 CA ASP A 69 115.654 7.805 5.880 1.00 0.00 C ATOM 889 C ASP A 69 114.133 7.727 5.991 1.00 0.00 C ATOM 890 O ASP A 69 113.426 8.625 5.539 1.00 0.00 O ATOM 891 CB ASP A 69 116.092 7.463 4.454 1.00 0.00 C ATOM 892 CG ASP A 69 116.918 8.565 3.819 1.00 0.00 C ATOM 893 OD1 ASP A 69 117.669 9.241 4.553 1.00 0.00 O ATOM 894 OD2 ASP A 69 116.815 8.750 2.589 1.00 0.00 O ATOM 0 H ASP A 69 116.906 6.209 6.411 1.00 0.00 H new ATOM 0 HA ASP A 69 115.963 8.824 6.115 1.00 0.00 H new ATOM 0 HB2 ASP A 69 116.672 6.540 4.467 1.00 0.00 H new ATOM 0 HB3 ASP A 69 115.210 7.276 3.842 1.00 0.00 H new ATOM 899 N GLN A 70 113.634 6.649 6.591 1.00 0.00 N ATOM 900 CA GLN A 70 112.196 6.465 6.756 1.00 0.00 C ATOM 901 C GLN A 70 111.766 6.741 8.196 1.00 0.00 C ATOM 902 O GLN A 70 110.631 6.456 8.577 1.00 0.00 O ATOM 903 CB GLN A 70 111.800 5.040 6.360 1.00 0.00 C ATOM 904 CG GLN A 70 111.238 4.935 4.951 1.00 0.00 C ATOM 905 CD GLN A 70 112.143 4.153 4.018 1.00 0.00 C ATOM 906 OE1 GLN A 70 113.360 4.340 4.013 1.00 0.00 O ATOM 907 NE2 GLN A 70 111.551 3.272 3.221 1.00 0.00 N ATOM 0 H GLN A 70 114.203 5.892 6.970 1.00 0.00 H new ATOM 0 HA GLN A 70 111.688 7.177 6.105 1.00 0.00 H new ATOM 0 HB2 GLN A 70 112.673 4.393 6.443 1.00 0.00 H new ATOM 0 HB3 GLN A 70 111.058 4.668 7.067 1.00 0.00 H new ATOM 0 HG2 GLN A 70 110.260 4.455 4.989 1.00 0.00 H new ATOM 0 HG3 GLN A 70 111.086 5.937 4.549 1.00 0.00 H new ATOM 0 HE21 GLN A 70 110.539 3.150 3.259 1.00 0.00 H new ATOM 0 HE22 GLN A 70 112.108 2.717 2.571 1.00 0.00 H new ATOM 916 N VAL A 71 112.678 7.294 8.995 1.00 0.00 N ATOM 917 CA VAL A 71 112.391 7.601 10.395 1.00 0.00 C ATOM 918 C VAL A 71 112.039 9.070 10.576 1.00 0.00 C ATOM 919 O VAL A 71 111.090 9.404 11.286 1.00 0.00 O ATOM 920 CB VAL A 71 113.591 7.242 11.295 1.00 0.00 C ATOM 921 CG1 VAL A 71 113.364 7.690 12.737 1.00 0.00 C ATOM 922 CG2 VAL A 71 113.865 5.747 11.235 1.00 0.00 C ATOM 0 H VAL A 71 113.622 7.538 8.696 1.00 0.00 H new ATOM 0 HA VAL A 71 111.533 6.997 10.690 1.00 0.00 H new ATOM 0 HB VAL A 71 114.464 7.776 10.919 1.00 0.00 H new ATOM 0 HG11 VAL A 71 114.230 7.421 13.342 1.00 0.00 H new ATOM 0 HG12 VAL A 71 113.224 8.771 12.765 1.00 0.00 H new ATOM 0 HG13 VAL A 71 112.476 7.199 13.135 1.00 0.00 H new ATOM 0 HG21 VAL A 71 114.714 5.507 11.875 1.00 0.00 H new ATOM 0 HG22 VAL A 71 112.986 5.202 11.579 1.00 0.00 H new ATOM 0 HG23 VAL A 71 114.091 5.459 10.208 1.00 0.00 H new ATOM 932 N LEU A 72 112.788 9.948 9.924 1.00 0.00 N ATOM 933 CA LEU A 72 112.523 11.371 10.018 1.00 0.00 C ATOM 934 C LEU A 72 111.593 11.793 8.895 1.00 0.00 C ATOM 935 O LEU A 72 110.924 12.824 8.975 1.00 0.00 O ATOM 936 CB LEU A 72 113.827 12.174 9.973 1.00 0.00 C ATOM 937 CG LEU A 72 114.914 11.617 9.049 1.00 0.00 C ATOM 938 CD1 LEU A 72 115.672 12.748 8.370 1.00 0.00 C ATOM 939 CD2 LEU A 72 115.871 10.727 9.828 1.00 0.00 C ATOM 0 H LEU A 72 113.578 9.700 9.329 1.00 0.00 H new ATOM 0 HA LEU A 72 112.040 11.576 10.974 1.00 0.00 H new ATOM 0 HB2 LEU A 72 113.595 13.192 9.660 1.00 0.00 H new ATOM 0 HB3 LEU A 72 114.230 12.235 10.984 1.00 0.00 H new ATOM 0 HG LEU A 72 114.433 11.015 8.278 1.00 0.00 H new ATOM 0 HD11 LEU A 72 116.440 12.331 7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 72 114.979 13.347 7.779 1.00 0.00 H new ATOM 0 HD13 LEU A 72 116.141 13.377 9.126 1.00 0.00 H new ATOM 0 HD21 LEU A 72 116.637 10.340 9.156 1.00 0.00 H new ATOM 0 HD22 LEU A 72 116.344 11.307 10.621 1.00 0.00 H new ATOM 0 HD23 LEU A 72 115.319 9.895 10.266 1.00 0.00 H new ATOM 951 N SER A 73 111.544 10.970 7.852 1.00 0.00 N ATOM 952 CA SER A 73 110.688 11.230 6.706 1.00 0.00 C ATOM 953 C SER A 73 109.264 10.746 6.967 1.00 0.00 C ATOM 954 O SER A 73 108.345 11.047 6.205 1.00 0.00 O ATOM 955 CB SER A 73 111.249 10.541 5.468 1.00 0.00 C ATOM 956 OG SER A 73 111.016 11.310 4.299 1.00 0.00 O ATOM 0 H SER A 73 112.092 10.113 7.780 1.00 0.00 H new ATOM 0 HA SER A 73 110.661 12.307 6.539 1.00 0.00 H new ATOM 0 HB2 SER A 73 112.320 10.380 5.593 1.00 0.00 H new ATOM 0 HB3 SER A 73 110.790 9.559 5.357 1.00 0.00 H new ATOM 0 HG SER A 73 111.388 10.844 3.521 1.00 0.00 H new ATOM 962 N VAL A 74 109.083 9.991 8.045 1.00 0.00 N ATOM 963 CA VAL A 74 107.772 9.466 8.391 1.00 0.00 C ATOM 964 C VAL A 74 107.364 9.840 9.812 1.00 0.00 C ATOM 965 O VAL A 74 106.190 9.735 10.170 1.00 0.00 O ATOM 966 CB VAL A 74 107.747 7.933 8.267 1.00 0.00 C ATOM 967 CG1 VAL A 74 106.335 7.395 8.450 1.00 0.00 C ATOM 968 CG2 VAL A 74 108.324 7.492 6.931 1.00 0.00 C ATOM 0 H VAL A 74 109.828 9.731 8.692 1.00 0.00 H new ATOM 0 HA VAL A 74 107.066 9.912 7.690 1.00 0.00 H new ATOM 0 HB VAL A 74 108.370 7.520 9.060 1.00 0.00 H new ATOM 0 HG11 VAL A 74 106.345 6.309 8.358 1.00 0.00 H new ATOM 0 HG12 VAL A 74 105.965 7.672 9.437 1.00 0.00 H new ATOM 0 HG13 VAL A 74 105.683 7.818 7.686 1.00 0.00 H new ATOM 0 HG21 VAL A 74 108.297 6.404 6.864 1.00 0.00 H new ATOM 0 HG22 VAL A 74 107.734 7.920 6.121 1.00 0.00 H new ATOM 0 HG23 VAL A 74 109.355 7.835 6.849 1.00 0.00 H new ATOM 978 N LEU A 75 108.330 10.236 10.640 1.00 0.00 N ATOM 979 CA LEU A 75 108.021 10.569 12.035 1.00 0.00 C ATOM 980 C LEU A 75 108.465 11.974 12.451 1.00 0.00 C ATOM 981 O LEU A 75 108.071 12.448 13.516 1.00 0.00 O ATOM 982 CB LEU A 75 108.659 9.538 12.965 1.00 0.00 C ATOM 983 CG LEU A 75 108.606 8.096 12.458 1.00 0.00 C ATOM 984 CD1 LEU A 75 109.797 7.302 12.971 1.00 0.00 C ATOM 985 CD2 LEU A 75 107.302 7.430 12.873 1.00 0.00 C ATOM 0 H LEU A 75 109.312 10.334 10.380 1.00 0.00 H new ATOM 0 HA LEU A 75 106.934 10.550 12.118 1.00 0.00 H new ATOM 0 HB2 LEU A 75 109.701 9.813 13.128 1.00 0.00 H new ATOM 0 HB3 LEU A 75 108.161 9.586 13.934 1.00 0.00 H new ATOM 0 HG LEU A 75 108.651 8.116 11.369 1.00 0.00 H new ATOM 0 HD11 LEU A 75 109.740 6.279 12.599 1.00 0.00 H new ATOM 0 HD12 LEU A 75 110.720 7.764 12.622 1.00 0.00 H new ATOM 0 HD13 LEU A 75 109.786 7.293 14.061 1.00 0.00 H new ATOM 0 HD21 LEU A 75 107.283 6.405 12.503 1.00 0.00 H new ATOM 0 HD22 LEU A 75 107.226 7.425 13.960 1.00 0.00 H new ATOM 0 HD23 LEU A 75 106.461 7.983 12.453 1.00 0.00 H new ATOM 997 N LYS A 76 109.290 12.639 11.646 1.00 0.00 N ATOM 998 CA LYS A 76 109.757 13.976 12.008 1.00 0.00 C ATOM 999 C LYS A 76 109.119 15.060 11.142 1.00 0.00 C ATOM 1000 O LYS A 76 109.237 16.250 11.437 1.00 0.00 O ATOM 1001 CB LYS A 76 111.274 14.040 11.892 1.00 0.00 C ATOM 1002 CG LYS A 76 111.990 13.952 13.233 1.00 0.00 C ATOM 1003 CD LYS A 76 113.212 13.046 13.168 1.00 0.00 C ATOM 1004 CE LYS A 76 113.583 12.521 14.548 1.00 0.00 C ATOM 1005 NZ LYS A 76 115.052 12.319 14.692 1.00 0.00 N ATOM 0 H LYS A 76 109.643 12.284 10.757 1.00 0.00 H new ATOM 0 HA LYS A 76 109.457 14.164 13.039 1.00 0.00 H new ATOM 0 HB2 LYS A 76 111.616 13.226 11.252 1.00 0.00 H new ATOM 0 HB3 LYS A 76 111.554 14.972 11.400 1.00 0.00 H new ATOM 0 HG2 LYS A 76 112.295 14.950 13.548 1.00 0.00 H new ATOM 0 HG3 LYS A 76 111.300 13.577 13.989 1.00 0.00 H new ATOM 0 HD2 LYS A 76 113.012 12.209 12.499 1.00 0.00 H new ATOM 0 HD3 LYS A 76 114.054 13.596 12.747 1.00 0.00 H new ATOM 0 HE2 LYS A 76 113.237 13.222 15.308 1.00 0.00 H new ATOM 0 HE3 LYS A 76 113.068 11.577 14.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 115.261 11.961 15.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 115.379 11.631 13.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 115.543 13.224 14.547 1.00 0.00 H new ATOM 1019 N GLY A 77 108.447 14.649 10.076 1.00 0.00 N ATOM 1020 CA GLY A 77 107.811 15.605 9.191 1.00 0.00 C ATOM 1021 C GLY A 77 108.337 15.497 7.777 1.00 0.00 C ATOM 1022 O GLY A 77 108.539 16.507 7.102 1.00 0.00 O ATOM 0 H GLY A 77 108.331 13.672 9.808 1.00 0.00 H new ATOM 0 HA2 GLY A 77 106.734 15.440 9.192 1.00 0.00 H new ATOM 0 HA3 GLY A 77 107.979 16.615 9.565 1.00 0.00 H new ATOM 1026 N GLU A 78 108.550 14.267 7.330 1.00 0.00 N ATOM 1027 CA GLU A 78 109.047 14.018 5.990 1.00 0.00 C ATOM 1028 C GLU A 78 110.405 14.673 5.765 1.00 0.00 C ATOM 1029 O GLU A 78 110.569 15.474 4.844 1.00 0.00 O ATOM 1030 CB GLU A 78 108.038 14.527 4.968 1.00 0.00 C ATOM 1031 CG GLU A 78 108.082 13.780 3.646 1.00 0.00 C ATOM 1032 CD GLU A 78 107.110 12.617 3.600 1.00 0.00 C ATOM 1033 OE1 GLU A 78 105.920 12.848 3.299 1.00 0.00 O ATOM 1034 OE2 GLU A 78 107.540 11.474 3.863 1.00 0.00 O ATOM 0 H GLU A 78 108.385 13.425 7.881 1.00 0.00 H new ATOM 0 HA GLU A 78 109.178 12.943 5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 78 107.036 14.446 5.388 1.00 0.00 H new ATOM 0 HB3 GLU A 78 108.222 15.585 4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 78 107.854 14.471 2.835 1.00 0.00 H new ATOM 0 HG3 GLU A 78 109.093 13.410 3.475 1.00 0.00 H new ATOM 1041 N GLU A 79 111.390 14.325 6.597 1.00 0.00 N ATOM 1042 CA GLU A 79 112.726 14.894 6.445 1.00 0.00 C ATOM 1043 C GLU A 79 113.655 13.919 5.730 1.00 0.00 C ATOM 1044 O GLU A 79 113.484 12.696 5.916 1.00 0.00 O ATOM 1045 CB GLU A 79 113.310 15.276 7.805 1.00 0.00 C ATOM 1046 CG GLU A 79 112.307 15.948 8.730 1.00 0.00 C ATOM 1047 CD GLU A 79 112.662 17.394 9.024 1.00 0.00 C ATOM 1048 OE1 GLU A 79 112.910 18.151 8.063 1.00 0.00 O ATOM 1049 OE2 GLU A 79 112.691 17.769 10.216 1.00 0.00 O ATOM 0 H GLU A 79 111.289 13.665 7.368 1.00 0.00 H new ATOM 0 HA GLU A 79 112.638 15.795 5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 79 113.696 14.380 8.290 1.00 0.00 H new ATOM 0 HB3 GLU A 79 114.157 15.945 7.653 1.00 0.00 H new ATOM 0 HG2 GLU A 79 111.316 15.906 8.278 1.00 0.00 H new ATOM 0 HG3 GLU A 79 112.254 15.393 9.667 1.00 0.00 H new TER 1056 GLU A 79