USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 844 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 95 THR OG1 : rot -79:sc= 0.8 USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0.702 USER MOD Set 2.1: A 80 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 81 SER OG : rot -20:sc= 0.545 USER MOD Set 3.1: A 28 THR OG1 : rot 85:sc= 2.25 USER MOD Set 3.2: A 45 THR OG1 : rot 77:sc= 1.32 USER MOD Set 4.1: A 19 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0161) USER MOD Set 4.2: A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -165:sc= -0.0441 (180deg=-0.353) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl 171:sc= -0.014 (180deg=-0.141) USER MOD Single : A 22 GLN : amide:sc= -2.98! C(o=-3!,f=-2!) USER MOD Single : A 29 LYS NZ :NH3+ -159:sc= 1.15 (180deg=0.246) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= -0.0379 (180deg=-0.0379) USER MOD Single : A 34 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.155) USER MOD Single : A 35 THR OG1 : rot 162:sc= 1.1 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 45:sc= 0.512 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 180:sc= -4.53! USER MOD Single : A 47 SER OG : rot 180:sc= -0.0146 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 1.05 K(o=1,f=-5!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= -1.21 USER MOD Single : A 78 LYS NZ :NH3+ -157:sc= 1.27 (180deg=1.09) USER MOD Single : A 83 LYS NZ :NH3+ 135:sc= -0.0684 (180deg=-0.398) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -3.09! K(o=-3.1!,f=-1.6) USER MOD Single : A 88 ASN : amide:sc= -0.143 K(o=-0.14,f=0.6) USER MOD Single : A 89 THR OG1 : rot 94:sc= 1.27 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 98 ASN : amide:sc= -0.185 X(o=-0.19,f=-0.01) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 102 THR OG1 : rot 72:sc= 1.23 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -3.03! K(o=-3!,f=-0.22) USER MOD Single : A 107 THR OG1 : rot -110:sc= -2.84! USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 100:sc= 1.03 USER MOD Single : A 116 SER OG : rot 90:sc= 1.29 USER MOD Single : A 118 GLN : amide:sc= -5.65! C(o=-5.7!,f=-5!) USER MOD Single : A 120 GLN : amide:sc= -2.57! K(o=-2.6!,f=-0.69) USER MOD Single : A 122 GLN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 123 SER OG : rot 74:sc= 0.451 USER MOD Single : A 125 MET CE :methyl 151:sc= -0.204 (180deg=-0.941) USER MOD Single : A 126 LYS NZ :NH3+ 169:sc= -0.0169 (180deg=-0.153) USER MOD Single : A 128 MET CE :methyl 171:sc= -1.48 (180deg=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 16 17.965 2.210 2.808 1.00 0.40 N ATOM 67 CA ARG A 16 16.674 2.051 2.174 1.00 0.34 C ATOM 68 C ARG A 16 16.081 0.684 2.471 1.00 0.29 C ATOM 69 O ARG A 16 14.920 0.583 2.847 1.00 0.24 O ATOM 70 CB ARG A 16 16.821 2.250 0.665 1.00 0.41 C ATOM 71 CG ARG A 16 15.615 1.817 -0.151 1.00 0.40 C ATOM 72 CD ARG A 16 15.933 1.836 -1.631 1.00 0.51 C ATOM 73 NE ARG A 16 16.196 3.186 -2.134 1.00 1.04 N ATOM 74 CZ ARG A 16 15.916 3.580 -3.377 1.00 1.14 C ATOM 75 NH1 ARG A 16 15.363 2.733 -4.235 1.00 0.97 N ATOM 76 NH2 ARG A 16 16.195 4.819 -3.761 1.00 1.88 N ATOM 0 HA ARG A 16 15.994 2.802 2.576 1.00 0.34 H new ATOM 0 HB2 ARG A 16 17.017 3.304 0.468 1.00 0.41 H new ATOM 0 HB3 ARG A 16 17.694 1.694 0.322 1.00 0.41 H new ATOM 0 HG2 ARG A 16 15.310 0.814 0.147 1.00 0.40 H new ATOM 0 HG3 ARG A 16 14.775 2.480 0.054 1.00 0.40 H new ATOM 0 HD2 ARG A 16 16.802 1.206 -1.820 1.00 0.51 H new ATOM 0 HD3 ARG A 16 15.099 1.403 -2.183 1.00 0.51 H new ATOM 0 HE ARG A 16 16.617 3.863 -1.498 1.00 1.04 H new ATOM 0 HH11 ARG A 16 15.151 1.778 -3.945 1.00 0.97 H new ATOM 0 HH12 ARG A 16 15.150 3.036 -5.185 1.00 0.97 H new ATOM 0 HH21 ARG A 16 16.624 5.472 -3.105 1.00 1.88 H new ATOM 0 HH22 ARG A 16 15.980 5.119 -4.712 1.00 1.88 H new ATOM 90 N MET A 17 16.883 -0.361 2.323 1.00 0.34 N ATOM 91 CA MET A 17 16.403 -1.722 2.536 1.00 0.35 C ATOM 92 C MET A 17 15.889 -1.912 3.958 1.00 0.31 C ATOM 93 O MET A 17 14.887 -2.589 4.178 1.00 0.31 O ATOM 94 CB MET A 17 17.500 -2.743 2.231 1.00 0.43 C ATOM 95 CG MET A 17 17.868 -2.807 0.756 1.00 0.50 C ATOM 96 SD MET A 17 19.088 -4.085 0.385 1.00 0.63 S ATOM 97 CE MET A 17 20.512 -3.482 1.290 1.00 1.78 C ATOM 0 H MET A 17 17.866 -0.295 2.057 1.00 0.34 H new ATOM 0 HA MET A 17 15.573 -1.887 1.848 1.00 0.35 H new ATOM 0 HB2 MET A 17 18.389 -2.494 2.810 1.00 0.43 H new ATOM 0 HB3 MET A 17 17.171 -3.729 2.560 1.00 0.43 H new ATOM 0 HG2 MET A 17 16.967 -2.992 0.171 1.00 0.50 H new ATOM 0 HG3 MET A 17 18.258 -1.839 0.443 1.00 0.50 H new ATOM 0 HE1 MET A 17 21.406 -4.005 0.952 1.00 1.78 H new ATOM 0 HE2 MET A 17 20.629 -2.413 1.114 1.00 1.78 H new ATOM 0 HE3 MET A 17 20.368 -3.661 2.356 1.00 1.78 H new ATOM 107 N LYS A 18 16.566 -1.311 4.927 1.00 0.31 N ATOM 108 CA LYS A 18 16.111 -1.392 6.306 1.00 0.32 C ATOM 109 C LYS A 18 14.911 -0.471 6.516 1.00 0.28 C ATOM 110 O LYS A 18 13.999 -0.784 7.278 1.00 0.31 O ATOM 111 CB LYS A 18 17.234 -1.039 7.291 1.00 0.39 C ATOM 112 CG LYS A 18 17.494 0.455 7.436 1.00 0.48 C ATOM 113 CD LYS A 18 18.336 0.764 8.660 1.00 0.64 C ATOM 114 CE LYS A 18 19.747 0.210 8.529 1.00 1.12 C ATOM 115 NZ LYS A 18 20.609 0.600 9.676 1.00 1.61 N ATOM 0 H LYS A 18 17.419 -0.770 4.787 1.00 0.31 H new ATOM 0 HA LYS A 18 15.811 -2.422 6.502 1.00 0.32 H new ATOM 0 HB2 LYS A 18 16.985 -1.449 8.270 1.00 0.39 H new ATOM 0 HB3 LYS A 18 18.153 -1.526 6.966 1.00 0.39 H new ATOM 0 HG2 LYS A 18 18.000 0.824 6.544 1.00 0.48 H new ATOM 0 HG3 LYS A 18 16.544 0.984 7.505 1.00 0.48 H new ATOM 0 HD2 LYS A 18 18.381 1.843 8.807 1.00 0.64 H new ATOM 0 HD3 LYS A 18 17.860 0.341 9.545 1.00 0.64 H new ATOM 0 HE2 LYS A 18 19.704 -0.877 8.461 1.00 1.12 H new ATOM 0 HE3 LYS A 18 20.193 0.570 7.602 1.00 1.12 H new ATOM 0 HZ1 LYS A 18 21.561 0.202 9.546 1.00 1.61 H new ATOM 0 HZ2 LYS A 18 20.672 1.637 9.726 1.00 1.61 H new ATOM 0 HZ3 LYS A 18 20.198 0.235 10.559 1.00 1.61 H new ATOM 129 N LYS A 19 14.917 0.662 5.823 1.00 0.25 N ATOM 130 CA LYS A 19 13.897 1.682 6.006 1.00 0.24 C ATOM 131 C LYS A 19 12.572 1.249 5.392 1.00 0.19 C ATOM 132 O LYS A 19 11.509 1.491 5.962 1.00 0.22 O ATOM 133 CB LYS A 19 14.348 3.009 5.396 1.00 0.27 C ATOM 134 CG LYS A 19 14.230 4.194 6.343 1.00 0.33 C ATOM 135 CD LYS A 19 12.804 4.386 6.836 1.00 0.38 C ATOM 136 CE LYS A 19 12.710 5.497 7.871 1.00 0.47 C ATOM 137 NZ LYS A 19 13.014 6.835 7.293 1.00 0.99 N ATOM 0 H LYS A 19 15.623 0.896 5.125 1.00 0.25 H new ATOM 0 HA LYS A 19 13.751 1.818 7.078 1.00 0.24 H new ATOM 0 HB2 LYS A 19 15.385 2.916 5.074 1.00 0.27 H new ATOM 0 HB3 LYS A 19 13.754 3.208 4.504 1.00 0.27 H new ATOM 0 HG2 LYS A 19 14.892 4.044 7.196 1.00 0.33 H new ATOM 0 HG3 LYS A 19 14.564 5.099 5.835 1.00 0.33 H new ATOM 0 HD2 LYS A 19 12.156 4.620 5.992 1.00 0.38 H new ATOM 0 HD3 LYS A 19 12.440 3.454 7.269 1.00 0.38 H new ATOM 0 HE2 LYS A 19 11.708 5.508 8.299 1.00 0.47 H new ATOM 0 HE3 LYS A 19 13.403 5.290 8.687 1.00 0.47 H new ATOM 0 HZ1 LYS A 19 12.871 7.567 8.018 1.00 0.99 H new ATOM 0 HZ2 LYS A 19 14.002 6.857 6.969 1.00 0.99 H new ATOM 0 HZ3 LYS A 19 12.381 7.017 6.488 1.00 0.99 H new ATOM 151 N VAL A 20 12.636 0.607 4.231 1.00 0.16 N ATOM 152 CA VAL A 20 11.435 0.116 3.571 1.00 0.15 C ATOM 153 C VAL A 20 10.760 -0.947 4.425 1.00 0.17 C ATOM 154 O VAL A 20 9.549 -1.088 4.389 1.00 0.19 O ATOM 155 CB VAL A 20 11.698 -0.431 2.151 1.00 0.17 C ATOM 156 CG1 VAL A 20 12.283 0.652 1.260 1.00 0.18 C ATOM 157 CG2 VAL A 20 12.614 -1.637 2.185 1.00 0.21 C ATOM 0 H VAL A 20 13.504 0.416 3.730 1.00 0.16 H new ATOM 0 HA VAL A 20 10.773 0.974 3.457 1.00 0.15 H new ATOM 0 HB VAL A 20 10.741 -0.747 1.736 1.00 0.17 H new ATOM 0 HG11 VAL A 20 12.461 0.247 0.264 1.00 0.18 H new ATOM 0 HG12 VAL A 20 11.583 1.485 1.193 1.00 0.18 H new ATOM 0 HG13 VAL A 20 13.225 1.002 1.683 1.00 0.18 H new ATOM 0 HG21 VAL A 20 12.779 -1.997 1.170 1.00 0.21 H new ATOM 0 HG22 VAL A 20 13.569 -1.356 2.630 1.00 0.21 H new ATOM 0 HG23 VAL A 20 12.155 -2.426 2.780 1.00 0.21 H new ATOM 167 N MET A 21 11.555 -1.697 5.183 1.00 0.19 N ATOM 168 CA MET A 21 11.017 -2.655 6.147 1.00 0.25 C ATOM 169 C MET A 21 10.217 -1.931 7.229 1.00 0.25 C ATOM 170 O MET A 21 9.172 -2.410 7.674 1.00 0.27 O ATOM 171 CB MET A 21 12.143 -3.464 6.793 1.00 0.38 C ATOM 172 CG MET A 21 12.806 -4.455 5.852 1.00 1.02 C ATOM 173 SD MET A 21 11.688 -5.765 5.316 1.00 2.01 S ATOM 174 CE MET A 21 12.811 -6.768 4.347 1.00 2.72 C ATOM 0 H MET A 21 12.574 -1.661 5.149 1.00 0.19 H new ATOM 0 HA MET A 21 10.357 -3.337 5.612 1.00 0.25 H new ATOM 0 HB2 MET A 21 12.899 -2.777 7.173 1.00 0.38 H new ATOM 0 HB3 MET A 21 11.743 -4.004 7.651 1.00 0.38 H new ATOM 0 HG2 MET A 21 13.181 -3.923 4.978 1.00 1.02 H new ATOM 0 HG3 MET A 21 13.668 -4.900 6.349 1.00 1.02 H new ATOM 0 HE1 MET A 21 12.321 -7.703 4.075 1.00 2.72 H new ATOM 0 HE2 MET A 21 13.092 -6.229 3.442 1.00 2.72 H new ATOM 0 HE3 MET A 21 13.704 -6.984 4.933 1.00 2.72 H new ATOM 184 N GLN A 22 10.715 -0.764 7.635 1.00 0.26 N ATOM 185 CA GLN A 22 10.037 0.059 8.634 1.00 0.29 C ATOM 186 C GLN A 22 8.714 0.564 8.068 1.00 0.26 C ATOM 187 O GLN A 22 7.699 0.611 8.764 1.00 0.31 O ATOM 188 CB GLN A 22 10.906 1.253 9.039 1.00 0.33 C ATOM 189 CG GLN A 22 12.374 0.909 9.228 1.00 0.40 C ATOM 190 CD GLN A 22 13.210 2.110 9.633 1.00 0.60 C ATOM 191 OE1 GLN A 22 12.755 2.973 10.384 1.00 1.05 O ATOM 192 NE2 GLN A 22 14.417 2.209 9.089 1.00 0.52 N ATOM 0 H GLN A 22 11.587 -0.367 7.286 1.00 0.26 H new ATOM 0 HA GLN A 22 9.854 -0.553 9.517 1.00 0.29 H new ATOM 0 HB2 GLN A 22 10.820 2.028 8.277 1.00 0.33 H new ATOM 0 HB3 GLN A 22 10.519 1.674 9.967 1.00 0.33 H new ATOM 0 HG2 GLN A 22 12.466 0.134 9.989 1.00 0.40 H new ATOM 0 HG3 GLN A 22 12.768 0.493 8.300 1.00 0.40 H new ATOM 0 HE21 GLN A 22 14.760 1.473 8.471 1.00 0.52 H new ATOM 0 HE22 GLN A 22 15.001 3.021 9.289 1.00 0.52 H new ATOM 201 N TYR A 23 8.743 0.945 6.794 1.00 0.20 N ATOM 202 CA TYR A 23 7.538 1.364 6.090 1.00 0.19 C ATOM 203 C TYR A 23 6.629 0.169 5.842 1.00 0.17 C ATOM 204 O TYR A 23 5.410 0.281 5.904 1.00 0.18 O ATOM 205 CB TYR A 23 7.881 2.017 4.747 1.00 0.17 C ATOM 206 CG TYR A 23 8.539 3.376 4.852 1.00 0.21 C ATOM 207 CD1 TYR A 23 9.837 3.579 4.402 1.00 0.24 C ATOM 208 CD2 TYR A 23 7.856 4.458 5.386 1.00 0.26 C ATOM 209 CE1 TYR A 23 10.435 4.821 4.481 1.00 0.29 C ATOM 210 CE2 TYR A 23 8.448 5.704 5.472 1.00 0.31 C ATOM 211 CZ TYR A 23 9.738 5.880 5.019 1.00 0.32 C ATOM 212 OH TYR A 23 10.331 7.118 5.102 1.00 0.38 O ATOM 0 H TYR A 23 9.591 0.972 6.228 1.00 0.20 H new ATOM 0 HA TYR A 23 7.026 2.094 6.718 1.00 0.19 H new ATOM 0 HB2 TYR A 23 8.542 1.351 4.193 1.00 0.17 H new ATOM 0 HB3 TYR A 23 6.966 2.116 4.163 1.00 0.17 H new ATOM 0 HD1 TYR A 23 10.389 2.751 3.983 1.00 0.24 H new ATOM 0 HD2 TYR A 23 6.845 4.325 5.741 1.00 0.26 H new ATOM 0 HE1 TYR A 23 11.444 4.961 4.123 1.00 0.29 H new ATOM 0 HE2 TYR A 23 7.902 6.536 5.892 1.00 0.31 H new ATOM 0 HH TYR A 23 9.704 7.755 5.505 1.00 0.38 H new ATOM 222 N ARG A 24 7.245 -0.974 5.571 1.00 0.17 N ATOM 223 CA ARG A 24 6.528 -2.196 5.231 1.00 0.17 C ATOM 224 C ARG A 24 5.581 -2.598 6.350 1.00 0.17 C ATOM 225 O ARG A 24 4.446 -2.982 6.096 1.00 0.19 O ATOM 226 CB ARG A 24 7.526 -3.322 4.945 1.00 0.18 C ATOM 227 CG ARG A 24 6.932 -4.511 4.205 1.00 0.21 C ATOM 228 CD ARG A 24 8.014 -5.507 3.814 1.00 0.25 C ATOM 229 NE ARG A 24 7.489 -6.606 3.005 1.00 0.33 N ATOM 230 CZ ARG A 24 7.628 -7.898 3.309 1.00 0.47 C ATOM 231 NH1 ARG A 24 8.159 -8.260 4.471 1.00 0.57 N ATOM 232 NH2 ARG A 24 7.209 -8.828 2.456 1.00 0.57 N ATOM 0 H ARG A 24 8.259 -1.080 5.581 1.00 0.17 H new ATOM 0 HA ARG A 24 5.933 -2.012 4.336 1.00 0.17 H new ATOM 0 HB2 ARG A 24 8.352 -2.920 4.359 1.00 0.18 H new ATOM 0 HB3 ARG A 24 7.945 -3.669 5.889 1.00 0.18 H new ATOM 0 HG2 ARG A 24 6.191 -5.003 4.835 1.00 0.21 H new ATOM 0 HG3 ARG A 24 6.412 -4.165 3.312 1.00 0.21 H new ATOM 0 HD2 ARG A 24 8.796 -4.991 3.258 1.00 0.25 H new ATOM 0 HD3 ARG A 24 8.476 -5.910 4.715 1.00 0.25 H new ATOM 0 HE ARG A 24 6.983 -6.369 2.152 1.00 0.33 H new ATOM 0 HH11 ARG A 24 8.463 -7.549 5.136 1.00 0.57 H new ATOM 0 HH12 ARG A 24 8.263 -9.249 4.698 1.00 0.57 H new ATOM 0 HH21 ARG A 24 6.782 -8.553 1.571 1.00 0.57 H new ATOM 0 HH22 ARG A 24 7.314 -9.816 2.686 1.00 0.57 H new ATOM 246 N ARG A 25 6.041 -2.487 7.590 1.00 0.18 N ATOM 247 CA ARG A 25 5.207 -2.818 8.741 1.00 0.18 C ATOM 248 C ARG A 25 4.028 -1.854 8.851 1.00 0.17 C ATOM 249 O ARG A 25 2.933 -2.240 9.261 1.00 0.20 O ATOM 250 CB ARG A 25 6.027 -2.795 10.030 1.00 0.22 C ATOM 251 CG ARG A 25 7.134 -3.833 10.061 1.00 0.32 C ATOM 252 CD ARG A 25 7.676 -4.030 11.466 1.00 0.73 C ATOM 253 NE ARG A 25 8.750 -5.022 11.498 1.00 1.44 N ATOM 254 CZ ARG A 25 8.589 -6.288 11.886 1.00 2.11 C ATOM 255 NH1 ARG A 25 7.395 -6.724 12.271 1.00 2.44 N ATOM 256 NH2 ARG A 25 9.625 -7.119 11.883 1.00 2.87 N ATOM 0 H ARG A 25 6.982 -2.172 7.825 1.00 0.18 H new ATOM 0 HA ARG A 25 4.819 -3.826 8.594 1.00 0.18 H new ATOM 0 HB2 ARG A 25 6.465 -1.805 10.155 1.00 0.22 H new ATOM 0 HB3 ARG A 25 5.362 -2.959 10.878 1.00 0.22 H new ATOM 0 HG2 ARG A 25 6.755 -4.781 9.680 1.00 0.32 H new ATOM 0 HG3 ARG A 25 7.942 -3.524 9.399 1.00 0.32 H new ATOM 0 HD2 ARG A 25 8.047 -3.080 11.849 1.00 0.73 H new ATOM 0 HD3 ARG A 25 6.869 -4.347 12.126 1.00 0.73 H new ATOM 0 HE ARG A 25 9.681 -4.727 11.205 1.00 1.44 H new ATOM 0 HH11 ARG A 25 6.596 -6.090 12.271 1.00 2.44 H new ATOM 0 HH12 ARG A 25 7.277 -7.693 12.567 1.00 2.44 H new ATOM 0 HH21 ARG A 25 10.543 -6.789 11.584 1.00 2.87 H new ATOM 0 HH22 ARG A 25 9.503 -8.087 12.180 1.00 2.87 H new ATOM 270 N ALA A 26 4.256 -0.607 8.459 1.00 0.17 N ATOM 271 CA ALA A 26 3.222 0.420 8.509 1.00 0.19 C ATOM 272 C ALA A 26 2.294 0.318 7.303 1.00 0.19 C ATOM 273 O ALA A 26 1.198 0.877 7.291 1.00 0.28 O ATOM 274 CB ALA A 26 3.856 1.800 8.569 1.00 0.23 C ATOM 0 H ALA A 26 5.153 -0.281 8.101 1.00 0.17 H new ATOM 0 HA ALA A 26 2.628 0.263 9.410 1.00 0.19 H new ATOM 0 HB1 ALA A 26 3.074 2.558 8.606 1.00 0.23 H new ATOM 0 HB2 ALA A 26 4.478 1.876 9.461 1.00 0.23 H new ATOM 0 HB3 ALA A 26 4.472 1.956 7.683 1.00 0.23 H new ATOM 280 N LEU A 27 2.750 -0.385 6.282 1.00 0.15 N ATOM 281 CA LEU A 27 1.954 -0.612 5.086 1.00 0.15 C ATOM 282 C LEU A 27 1.262 -1.969 5.148 1.00 0.17 C ATOM 283 O LEU A 27 0.340 -2.238 4.383 1.00 0.21 O ATOM 284 CB LEU A 27 2.837 -0.511 3.837 1.00 0.15 C ATOM 285 CG LEU A 27 2.886 0.867 3.149 1.00 0.15 C ATOM 286 CD1 LEU A 27 2.811 2.008 4.157 1.00 0.15 C ATOM 287 CD2 LEU A 27 4.160 0.990 2.333 1.00 0.16 C ATOM 0 H LEU A 27 3.676 -0.813 6.256 1.00 0.15 H new ATOM 0 HA LEU A 27 1.184 0.157 5.031 1.00 0.15 H new ATOM 0 HB2 LEU A 27 3.853 -0.793 4.112 1.00 0.15 H new ATOM 0 HB3 LEU A 27 2.488 -1.245 3.110 1.00 0.15 H new ATOM 0 HG LEU A 27 2.017 0.941 2.495 1.00 0.15 H new ATOM 0 HD11 LEU A 27 2.849 2.962 3.631 1.00 0.15 H new ATOM 0 HD12 LEU A 27 1.878 1.939 4.716 1.00 0.15 H new ATOM 0 HD13 LEU A 27 3.653 1.941 4.846 1.00 0.15 H new ATOM 0 HD21 LEU A 27 4.189 1.966 1.849 1.00 0.16 H new ATOM 0 HD22 LEU A 27 5.024 0.884 2.989 1.00 0.16 H new ATOM 0 HD23 LEU A 27 4.183 0.208 1.574 1.00 0.16 H new ATOM 299 N THR A 28 1.696 -2.817 6.069 1.00 0.17 N ATOM 300 CA THR A 28 1.075 -4.119 6.246 1.00 0.15 C ATOM 301 C THR A 28 -0.142 -4.002 7.159 1.00 0.17 C ATOM 302 O THR A 28 -0.014 -3.855 8.377 1.00 0.19 O ATOM 303 CB THR A 28 2.076 -5.138 6.822 1.00 0.17 C ATOM 304 OG1 THR A 28 3.216 -5.234 5.956 1.00 0.20 O ATOM 305 CG2 THR A 28 1.442 -6.512 6.978 1.00 0.20 C ATOM 0 H THR A 28 2.473 -2.627 6.702 1.00 0.17 H new ATOM 0 HA THR A 28 0.753 -4.477 5.268 1.00 0.15 H new ATOM 0 HB THR A 28 2.383 -4.790 7.808 1.00 0.17 H new ATOM 0 HG1 THR A 28 3.853 -4.522 6.174 1.00 0.20 H new ATOM 0 HG21 THR A 28 2.176 -7.207 7.387 1.00 0.20 H new ATOM 0 HG22 THR A 28 0.590 -6.445 7.654 1.00 0.20 H new ATOM 0 HG23 THR A 28 1.106 -6.870 6.005 1.00 0.20 H new ATOM 313 N LYS A 29 -1.316 -4.084 6.553 1.00 0.17 N ATOM 314 CA LYS A 29 -2.588 -3.869 7.240 1.00 0.22 C ATOM 315 C LYS A 29 -3.671 -4.692 6.566 1.00 0.19 C ATOM 316 O LYS A 29 -3.447 -5.261 5.503 1.00 0.18 O ATOM 317 CB LYS A 29 -3.014 -2.391 7.166 1.00 0.31 C ATOM 318 CG LYS A 29 -2.595 -1.519 8.344 1.00 0.61 C ATOM 319 CD LYS A 29 -1.147 -1.084 8.260 1.00 0.72 C ATOM 320 CE LYS A 29 -0.837 0.029 9.250 1.00 0.44 C ATOM 321 NZ LYS A 29 -1.634 1.257 8.994 1.00 0.79 N ATOM 0 H LYS A 29 -1.418 -4.303 5.562 1.00 0.17 H new ATOM 0 HA LYS A 29 -2.458 -4.162 8.282 1.00 0.22 H new ATOM 0 HB2 LYS A 29 -2.602 -1.959 6.254 1.00 0.31 H new ATOM 0 HB3 LYS A 29 -4.099 -2.350 7.076 1.00 0.31 H new ATOM 0 HG2 LYS A 29 -3.234 -0.637 8.384 1.00 0.61 H new ATOM 0 HG3 LYS A 29 -2.752 -2.068 9.272 1.00 0.61 H new ATOM 0 HD2 LYS A 29 -0.498 -1.938 8.457 1.00 0.72 H new ATOM 0 HD3 LYS A 29 -0.927 -0.743 7.248 1.00 0.72 H new ATOM 0 HE2 LYS A 29 -1.035 -0.324 10.262 1.00 0.44 H new ATOM 0 HE3 LYS A 29 0.224 0.271 9.199 1.00 0.44 H new ATOM 0 HZ1 LYS A 29 -1.162 2.074 9.431 1.00 0.79 H new ATOM 0 HZ2 LYS A 29 -1.715 1.411 7.969 1.00 0.79 H new ATOM 0 HZ3 LYS A 29 -2.584 1.146 9.403 1.00 0.79 H new ATOM 335 N VAL A 30 -4.841 -4.749 7.176 1.00 0.22 N ATOM 336 CA VAL A 30 -6.014 -5.251 6.498 1.00 0.22 C ATOM 337 C VAL A 30 -6.933 -4.071 6.230 1.00 0.19 C ATOM 338 O VAL A 30 -7.189 -3.257 7.118 1.00 0.23 O ATOM 339 CB VAL A 30 -6.733 -6.373 7.301 1.00 0.30 C ATOM 340 CG1 VAL A 30 -8.201 -6.065 7.527 1.00 0.81 C ATOM 341 CG2 VAL A 30 -6.565 -7.714 6.598 1.00 1.03 C ATOM 0 H VAL A 30 -5.000 -4.453 8.139 1.00 0.22 H new ATOM 0 HA VAL A 30 -5.718 -5.719 5.559 1.00 0.22 H new ATOM 0 HB VAL A 30 -6.264 -6.425 8.284 1.00 0.30 H new ATOM 0 HG11 VAL A 30 -8.660 -6.876 8.091 1.00 0.81 H new ATOM 0 HG12 VAL A 30 -8.296 -5.135 8.087 1.00 0.81 H new ATOM 0 HG13 VAL A 30 -8.703 -5.962 6.565 1.00 0.81 H new ATOM 0 HG21 VAL A 30 -7.073 -8.491 7.170 1.00 1.03 H new ATOM 0 HG22 VAL A 30 -6.997 -7.658 5.599 1.00 1.03 H new ATOM 0 HG23 VAL A 30 -5.505 -7.954 6.521 1.00 1.03 H new ATOM 351 N VAL A 31 -7.373 -3.952 4.996 1.00 0.16 N ATOM 352 CA VAL A 31 -8.162 -2.816 4.572 1.00 0.15 C ATOM 353 C VAL A 31 -9.140 -3.248 3.489 1.00 0.15 C ATOM 354 O VAL A 31 -8.849 -4.152 2.716 1.00 0.18 O ATOM 355 CB VAL A 31 -7.231 -1.684 4.063 1.00 0.18 C ATOM 356 CG1 VAL A 31 -7.623 -1.199 2.677 1.00 0.18 C ATOM 357 CG2 VAL A 31 -7.212 -0.525 5.046 1.00 0.26 C ATOM 0 H VAL A 31 -7.195 -4.637 4.261 1.00 0.16 H new ATOM 0 HA VAL A 31 -8.732 -2.431 5.418 1.00 0.15 H new ATOM 0 HB VAL A 31 -6.227 -2.102 3.988 1.00 0.18 H new ATOM 0 HG11 VAL A 31 -6.943 -0.407 2.363 1.00 0.18 H new ATOM 0 HG12 VAL A 31 -7.565 -2.028 1.972 1.00 0.18 H new ATOM 0 HG13 VAL A 31 -8.642 -0.814 2.701 1.00 0.18 H new ATOM 0 HG21 VAL A 31 -6.554 0.259 4.672 1.00 0.26 H new ATOM 0 HG22 VAL A 31 -8.221 -0.128 5.160 1.00 0.26 H new ATOM 0 HG23 VAL A 31 -6.848 -0.874 6.012 1.00 0.26 H new ATOM 367 N LYS A 32 -10.289 -2.609 3.426 1.00 0.14 N ATOM 368 CA LYS A 32 -11.299 -2.993 2.466 1.00 0.13 C ATOM 369 C LYS A 32 -11.278 -2.061 1.265 1.00 0.12 C ATOM 370 O LYS A 32 -11.486 -0.856 1.393 1.00 0.14 O ATOM 371 CB LYS A 32 -12.672 -3.004 3.127 1.00 0.14 C ATOM 372 CG LYS A 32 -13.694 -3.821 2.367 1.00 0.15 C ATOM 373 CD LYS A 32 -14.756 -2.942 1.744 1.00 0.26 C ATOM 374 CE LYS A 32 -15.868 -3.779 1.136 1.00 0.28 C ATOM 375 NZ LYS A 32 -17.115 -2.993 0.935 1.00 0.67 N ATOM 0 H LYS A 32 -10.545 -1.825 4.026 1.00 0.14 H new ATOM 0 HA LYS A 32 -11.081 -4.000 2.110 1.00 0.13 H new ATOM 0 HB2 LYS A 32 -12.578 -3.401 4.138 1.00 0.14 H new ATOM 0 HB3 LYS A 32 -13.032 -1.979 3.219 1.00 0.14 H new ATOM 0 HG2 LYS A 32 -13.194 -4.397 1.588 1.00 0.15 H new ATOM 0 HG3 LYS A 32 -14.163 -4.537 3.042 1.00 0.15 H new ATOM 0 HD2 LYS A 32 -15.170 -2.275 2.500 1.00 0.26 H new ATOM 0 HD3 LYS A 32 -14.307 -2.313 0.975 1.00 0.26 H new ATOM 0 HE2 LYS A 32 -15.536 -4.182 0.179 1.00 0.28 H new ATOM 0 HE3 LYS A 32 -16.077 -4.630 1.785 1.00 0.28 H new ATOM 0 HZ1 LYS A 32 -17.847 -3.603 0.518 1.00 0.67 H new ATOM 0 HZ2 LYS A 32 -17.448 -2.630 1.851 1.00 0.67 H new ATOM 0 HZ3 LYS A 32 -16.924 -2.196 0.295 1.00 0.67 H new ATOM 389 N LEU A 33 -11.012 -2.631 0.102 1.00 0.12 N ATOM 390 CA LEU A 33 -10.954 -1.857 -1.129 1.00 0.13 C ATOM 391 C LEU A 33 -12.334 -1.708 -1.730 1.00 0.14 C ATOM 392 O LEU A 33 -13.164 -2.607 -1.620 1.00 0.16 O ATOM 393 CB LEU A 33 -10.017 -2.508 -2.147 1.00 0.16 C ATOM 394 CG LEU A 33 -8.535 -2.196 -1.956 1.00 0.18 C ATOM 395 CD1 LEU A 33 -7.689 -3.003 -2.929 1.00 0.21 C ATOM 396 CD2 LEU A 33 -8.293 -0.710 -2.154 1.00 0.18 C ATOM 0 H LEU A 33 -10.832 -3.628 -0.017 1.00 0.12 H new ATOM 0 HA LEU A 33 -10.564 -0.870 -0.879 1.00 0.13 H new ATOM 0 HB2 LEU A 33 -10.153 -3.589 -2.104 1.00 0.16 H new ATOM 0 HB3 LEU A 33 -10.314 -2.189 -3.146 1.00 0.16 H new ATOM 0 HG LEU A 33 -8.246 -2.472 -0.942 1.00 0.18 H new ATOM 0 HD11 LEU A 33 -6.636 -2.767 -2.778 1.00 0.21 H new ATOM 0 HD12 LEU A 33 -7.851 -4.067 -2.756 1.00 0.21 H new ATOM 0 HD13 LEU A 33 -7.973 -2.754 -3.951 1.00 0.21 H new ATOM 0 HD21 LEU A 33 -7.234 -0.492 -2.017 1.00 0.18 H new ATOM 0 HD22 LEU A 33 -8.595 -0.423 -3.161 1.00 0.18 H new ATOM 0 HD23 LEU A 33 -8.877 -0.146 -1.426 1.00 0.18 H new ATOM 408 N LYS A 34 -12.578 -0.562 -2.350 1.00 0.15 N ATOM 409 CA LYS A 34 -13.861 -0.294 -2.996 1.00 0.19 C ATOM 410 C LYS A 34 -13.648 0.560 -4.233 1.00 0.21 C ATOM 411 O LYS A 34 -13.346 1.746 -4.126 1.00 0.23 O ATOM 412 CB LYS A 34 -14.817 0.442 -2.054 1.00 0.22 C ATOM 413 CG LYS A 34 -14.898 -0.142 -0.655 1.00 0.23 C ATOM 414 CD LYS A 34 -15.945 0.565 0.190 1.00 0.47 C ATOM 415 CE LYS A 34 -15.723 2.068 0.234 1.00 0.45 C ATOM 416 NZ LYS A 34 -16.727 2.749 1.090 1.00 0.84 N ATOM 0 H LYS A 34 -11.904 0.201 -2.421 1.00 0.15 H new ATOM 0 HA LYS A 34 -14.301 -1.254 -3.267 1.00 0.19 H new ATOM 0 HB2 LYS A 34 -14.505 1.484 -1.981 1.00 0.22 H new ATOM 0 HB3 LYS A 34 -15.814 0.438 -2.494 1.00 0.22 H new ATOM 0 HG2 LYS A 34 -15.137 -1.204 -0.717 1.00 0.23 H new ATOM 0 HG3 LYS A 34 -13.925 -0.062 -0.170 1.00 0.23 H new ATOM 0 HD2 LYS A 34 -16.936 0.357 -0.213 1.00 0.47 H new ATOM 0 HD3 LYS A 34 -15.922 0.166 1.204 1.00 0.47 H new ATOM 0 HE2 LYS A 34 -14.722 2.277 0.612 1.00 0.45 H new ATOM 0 HE3 LYS A 34 -15.773 2.473 -0.777 1.00 0.45 H new ATOM 0 HZ1 LYS A 34 -16.429 3.731 1.260 1.00 0.84 H new ATOM 0 HZ2 LYS A 34 -17.651 2.745 0.612 1.00 0.84 H new ATOM 0 HZ3 LYS A 34 -16.805 2.249 1.998 1.00 0.84 H new ATOM 430 N THR A 35 -13.777 -0.043 -5.398 1.00 0.23 N ATOM 431 CA THR A 35 -13.605 0.680 -6.645 1.00 0.26 C ATOM 432 C THR A 35 -14.070 -0.180 -7.826 1.00 0.28 C ATOM 433 O THR A 35 -14.701 -1.218 -7.616 1.00 0.28 O ATOM 434 CB THR A 35 -12.130 1.137 -6.804 1.00 0.27 C ATOM 435 OG1 THR A 35 -11.901 1.736 -8.083 1.00 0.34 O ATOM 436 CG2 THR A 35 -11.164 -0.019 -6.596 1.00 0.27 C ATOM 0 H THR A 35 -14.000 -1.032 -5.509 1.00 0.23 H new ATOM 0 HA THR A 35 -14.225 1.577 -6.629 1.00 0.26 H new ATOM 0 HB THR A 35 -11.948 1.886 -6.033 1.00 0.27 H new ATOM 0 HG1 THR A 35 -11.076 2.265 -8.054 1.00 0.34 H new ATOM 0 HG21 THR A 35 -10.140 0.336 -6.715 1.00 0.27 H new ATOM 0 HG22 THR A 35 -11.293 -0.425 -5.593 1.00 0.27 H new ATOM 0 HG23 THR A 35 -11.365 -0.798 -7.331 1.00 0.27 H new ATOM 444 N HIS A 36 -13.762 0.235 -9.052 1.00 0.33 N ATOM 445 CA HIS A 36 -14.114 -0.540 -10.245 1.00 0.38 C ATOM 446 C HIS A 36 -13.455 -1.915 -10.195 1.00 0.34 C ATOM 447 O HIS A 36 -13.906 -2.864 -10.835 1.00 0.37 O ATOM 448 CB HIS A 36 -13.687 0.197 -11.519 1.00 0.48 C ATOM 449 CG HIS A 36 -14.467 1.448 -11.780 1.00 1.31 C ATOM 450 ND1 HIS A 36 -13.948 2.712 -11.604 1.00 2.07 N ATOM 451 CD2 HIS A 36 -15.737 1.622 -12.210 1.00 2.25 C ATOM 452 CE1 HIS A 36 -14.866 3.608 -11.913 1.00 2.94 C ATOM 453 NE2 HIS A 36 -15.961 2.974 -12.287 1.00 3.02 N ATOM 0 H HIS A 36 -13.268 1.106 -9.249 1.00 0.33 H new ATOM 0 HA HIS A 36 -15.197 -0.663 -10.263 1.00 0.38 H new ATOM 0 HB2 HIS A 36 -12.629 0.448 -11.446 1.00 0.48 H new ATOM 0 HB3 HIS A 36 -13.797 -0.474 -12.371 1.00 0.48 H new ATOM 0 HD2 HIS A 36 -16.444 0.842 -12.449 1.00 2.25 H new ATOM 0 HE1 HIS A 36 -14.742 4.680 -11.867 1.00 2.94 H new ATOM 0 HE2 HIS A 36 -16.831 3.416 -12.584 1.00 3.02 H new ATOM 462 N LEU A 37 -12.405 -2.006 -9.397 1.00 0.32 N ATOM 463 CA LEU A 37 -11.692 -3.251 -9.168 1.00 0.33 C ATOM 464 C LEU A 37 -12.614 -4.252 -8.471 1.00 0.31 C ATOM 465 O LEU A 37 -12.937 -5.301 -9.031 1.00 0.36 O ATOM 466 CB LEU A 37 -10.471 -2.953 -8.293 1.00 0.38 C ATOM 467 CG LEU A 37 -9.506 -4.106 -8.040 1.00 0.46 C ATOM 468 CD1 LEU A 37 -8.737 -4.458 -9.304 1.00 1.00 C ATOM 469 CD2 LEU A 37 -8.558 -3.740 -6.906 1.00 0.32 C ATOM 0 H LEU A 37 -12.020 -1.212 -8.886 1.00 0.32 H new ATOM 0 HA LEU A 37 -11.369 -3.683 -10.115 1.00 0.33 H new ATOM 0 HB2 LEU A 37 -9.913 -2.139 -8.755 1.00 0.38 H new ATOM 0 HB3 LEU A 37 -10.825 -2.589 -7.329 1.00 0.38 H new ATOM 0 HG LEU A 37 -10.077 -4.988 -7.749 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -8.055 -5.283 -9.097 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -9.437 -4.753 -10.086 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -8.166 -3.591 -9.636 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -7.869 -4.566 -6.727 1.00 0.32 H new ATOM 0 HD22 LEU A 37 -7.993 -2.848 -7.178 1.00 0.32 H new ATOM 0 HD23 LEU A 37 -9.132 -3.544 -6.001 1.00 0.32 H new ATOM 481 N PHE A 38 -13.045 -3.897 -7.261 1.00 0.26 N ATOM 482 CA PHE A 38 -13.979 -4.702 -6.473 1.00 0.26 C ATOM 483 C PHE A 38 -14.215 -4.030 -5.126 1.00 0.23 C ATOM 484 O PHE A 38 -13.716 -2.928 -4.883 1.00 0.22 O ATOM 485 CB PHE A 38 -13.452 -6.134 -6.250 1.00 0.27 C ATOM 486 CG PHE A 38 -12.098 -6.207 -5.593 1.00 0.32 C ATOM 487 CD1 PHE A 38 -10.973 -6.580 -6.313 1.00 0.73 C ATOM 488 CD2 PHE A 38 -11.953 -5.896 -4.255 1.00 0.67 C ATOM 489 CE1 PHE A 38 -9.736 -6.645 -5.709 1.00 0.82 C ATOM 490 CE2 PHE A 38 -10.717 -5.958 -3.644 1.00 0.71 C ATOM 491 CZ PHE A 38 -9.597 -6.348 -4.396 1.00 0.55 C ATOM 0 H PHE A 38 -12.754 -3.037 -6.796 1.00 0.26 H new ATOM 0 HA PHE A 38 -14.914 -4.773 -7.028 1.00 0.26 H new ATOM 0 HB2 PHE A 38 -14.169 -6.680 -5.637 1.00 0.27 H new ATOM 0 HB3 PHE A 38 -13.403 -6.643 -7.212 1.00 0.27 H new ATOM 0 HD1 PHE A 38 -11.068 -6.823 -7.361 1.00 0.73 H new ATOM 0 HD2 PHE A 38 -12.818 -5.601 -3.680 1.00 0.67 H new ATOM 0 HE1 PHE A 38 -8.871 -6.935 -6.288 1.00 0.82 H new ATOM 0 HE2 PHE A 38 -10.612 -5.709 -2.598 1.00 0.71 H new ATOM 0 HZ PHE A 38 -8.626 -6.411 -3.927 1.00 0.55 H new ATOM 501 N SER A 39 -14.969 -4.692 -4.262 1.00 0.23 N ATOM 502 CA SER A 39 -15.125 -4.243 -2.892 1.00 0.22 C ATOM 503 C SER A 39 -14.949 -5.425 -1.937 1.00 0.22 C ATOM 504 O SER A 39 -15.885 -6.184 -1.703 1.00 0.28 O ATOM 505 CB SER A 39 -16.505 -3.600 -2.709 1.00 0.27 C ATOM 506 OG SER A 39 -17.540 -4.475 -3.129 1.00 0.34 O ATOM 0 H SER A 39 -15.483 -5.544 -4.488 1.00 0.23 H new ATOM 0 HA SER A 39 -14.363 -3.497 -2.666 1.00 0.22 H new ATOM 0 HB2 SER A 39 -16.650 -3.337 -1.661 1.00 0.27 H new ATOM 0 HB3 SER A 39 -16.555 -2.673 -3.280 1.00 0.27 H new ATOM 0 HG SER A 39 -17.365 -5.376 -2.786 1.00 0.34 H new ATOM 512 N GLU A 40 -13.755 -5.546 -1.361 1.00 0.20 N ATOM 513 CA GLU A 40 -13.405 -6.683 -0.502 1.00 0.24 C ATOM 514 C GLU A 40 -12.331 -6.267 0.492 1.00 0.18 C ATOM 515 O GLU A 40 -11.607 -5.300 0.257 1.00 0.15 O ATOM 516 CB GLU A 40 -12.856 -7.856 -1.331 1.00 0.33 C ATOM 517 CG GLU A 40 -13.854 -8.506 -2.279 1.00 0.47 C ATOM 518 CD GLU A 40 -14.998 -9.183 -1.557 1.00 1.15 C ATOM 519 OE1 GLU A 40 -14.738 -9.936 -0.595 1.00 1.45 O ATOM 520 OE2 GLU A 40 -16.168 -8.970 -1.948 1.00 2.08 O ATOM 0 H GLU A 40 -13.004 -4.865 -1.473 1.00 0.20 H new ATOM 0 HA GLU A 40 -14.311 -6.997 0.016 1.00 0.24 H new ATOM 0 HB2 GLU A 40 -12.005 -7.501 -1.913 1.00 0.33 H new ATOM 0 HB3 GLU A 40 -12.480 -8.618 -0.648 1.00 0.33 H new ATOM 0 HG2 GLU A 40 -14.254 -7.748 -2.953 1.00 0.47 H new ATOM 0 HG3 GLU A 40 -13.336 -9.240 -2.896 1.00 0.47 H new ATOM 527 N THR A 41 -12.225 -6.995 1.596 1.00 0.20 N ATOM 528 CA THR A 41 -11.157 -6.760 2.554 1.00 0.19 C ATOM 529 C THR A 41 -9.881 -7.424 2.071 1.00 0.18 C ATOM 530 O THR A 41 -9.832 -8.636 1.861 1.00 0.23 O ATOM 531 CB THR A 41 -11.504 -7.278 3.961 1.00 0.25 C ATOM 532 OG1 THR A 41 -12.701 -6.641 4.431 1.00 0.32 O ATOM 533 CG2 THR A 41 -10.360 -7.014 4.946 1.00 0.27 C ATOM 0 H THR A 41 -12.863 -7.750 1.848 1.00 0.20 H new ATOM 0 HA THR A 41 -11.020 -5.681 2.627 1.00 0.19 H new ATOM 0 HB THR A 41 -11.660 -8.355 3.898 1.00 0.25 H new ATOM 0 HG1 THR A 41 -12.919 -6.975 5.326 1.00 0.32 H new ATOM 0 HG21 THR A 41 -10.634 -7.391 5.931 1.00 0.27 H new ATOM 0 HG22 THR A 41 -9.459 -7.521 4.601 1.00 0.27 H new ATOM 0 HG23 THR A 41 -10.172 -5.942 5.007 1.00 0.27 H new ATOM 541 N VAL A 42 -8.866 -6.616 1.868 1.00 0.16 N ATOM 542 CA VAL A 42 -7.597 -7.094 1.384 1.00 0.16 C ATOM 543 C VAL A 42 -6.525 -6.807 2.423 1.00 0.16 C ATOM 544 O VAL A 42 -6.657 -5.879 3.220 1.00 0.23 O ATOM 545 CB VAL A 42 -7.232 -6.408 0.043 1.00 0.15 C ATOM 546 CG1 VAL A 42 -8.410 -6.466 -0.918 1.00 0.16 C ATOM 547 CG2 VAL A 42 -6.793 -4.963 0.258 1.00 0.15 C ATOM 0 H VAL A 42 -8.899 -5.610 2.034 1.00 0.16 H new ATOM 0 HA VAL A 42 -7.663 -8.168 1.212 1.00 0.16 H new ATOM 0 HB VAL A 42 -6.393 -6.950 -0.392 1.00 0.15 H new ATOM 0 HG11 VAL A 42 -8.139 -5.980 -1.855 1.00 0.16 H new ATOM 0 HG12 VAL A 42 -8.672 -7.506 -1.111 1.00 0.16 H new ATOM 0 HG13 VAL A 42 -9.265 -5.953 -0.477 1.00 0.16 H new ATOM 0 HG21 VAL A 42 -6.544 -4.512 -0.702 1.00 0.15 H new ATOM 0 HG22 VAL A 42 -7.603 -4.402 0.724 1.00 0.15 H new ATOM 0 HG23 VAL A 42 -5.917 -4.941 0.907 1.00 0.15 H new ATOM 557 N LYS A 43 -5.485 -7.608 2.442 1.00 0.13 N ATOM 558 CA LYS A 43 -4.354 -7.317 3.294 1.00 0.14 C ATOM 559 C LYS A 43 -3.293 -6.617 2.473 1.00 0.13 C ATOM 560 O LYS A 43 -2.787 -7.176 1.506 1.00 0.15 O ATOM 561 CB LYS A 43 -3.786 -8.584 3.934 1.00 0.17 C ATOM 562 CG LYS A 43 -2.636 -8.297 4.888 1.00 0.26 C ATOM 563 CD LYS A 43 -2.114 -9.555 5.559 1.00 0.34 C ATOM 564 CE LYS A 43 -1.511 -10.517 4.549 1.00 0.89 C ATOM 565 NZ LYS A 43 -0.905 -11.709 5.197 1.00 1.61 N ATOM 0 H LYS A 43 -5.398 -8.457 1.884 1.00 0.13 H new ATOM 0 HA LYS A 43 -4.685 -6.670 4.107 1.00 0.14 H new ATOM 0 HB2 LYS A 43 -4.580 -9.100 4.474 1.00 0.17 H new ATOM 0 HB3 LYS A 43 -3.442 -9.259 3.150 1.00 0.17 H new ATOM 0 HG2 LYS A 43 -1.825 -7.817 4.341 1.00 0.26 H new ATOM 0 HG3 LYS A 43 -2.967 -7.592 5.651 1.00 0.26 H new ATOM 0 HD2 LYS A 43 -1.362 -9.287 6.301 1.00 0.34 H new ATOM 0 HD3 LYS A 43 -2.927 -10.048 6.092 1.00 0.34 H new ATOM 0 HE2 LYS A 43 -2.284 -10.839 3.851 1.00 0.89 H new ATOM 0 HE3 LYS A 43 -0.751 -9.998 3.965 1.00 0.89 H new ATOM 0 HZ1 LYS A 43 -0.507 -12.335 4.468 1.00 1.61 H new ATOM 0 HZ2 LYS A 43 -0.149 -11.406 5.844 1.00 1.61 H new ATOM 0 HZ3 LYS A 43 -1.634 -12.221 5.733 1.00 1.61 H new ATOM 579 N VAL A 44 -2.950 -5.410 2.867 1.00 0.13 N ATOM 580 CA VAL A 44 -2.044 -4.590 2.088 1.00 0.14 C ATOM 581 C VAL A 44 -0.652 -4.654 2.685 1.00 0.15 C ATOM 582 O VAL A 44 -0.494 -4.913 3.878 1.00 0.19 O ATOM 583 CB VAL A 44 -2.502 -3.112 2.022 1.00 0.20 C ATOM 584 CG1 VAL A 44 -2.656 -2.664 0.577 1.00 0.35 C ATOM 585 CG2 VAL A 44 -3.802 -2.895 2.789 1.00 0.25 C ATOM 0 H VAL A 44 -3.285 -4.972 3.725 1.00 0.13 H new ATOM 0 HA VAL A 44 -2.041 -4.986 1.072 1.00 0.14 H new ATOM 0 HB VAL A 44 -1.731 -2.505 2.496 1.00 0.20 H new ATOM 0 HG11 VAL A 44 -2.978 -1.623 0.551 1.00 0.35 H new ATOM 0 HG12 VAL A 44 -1.700 -2.761 0.062 1.00 0.35 H new ATOM 0 HG13 VAL A 44 -3.400 -3.287 0.080 1.00 0.35 H new ATOM 0 HG21 VAL A 44 -4.094 -1.847 2.721 1.00 0.25 H new ATOM 0 HG22 VAL A 44 -4.586 -3.518 2.360 1.00 0.25 H new ATOM 0 HG23 VAL A 44 -3.657 -3.164 3.835 1.00 0.25 H new ATOM 595 N THR A 45 0.347 -4.450 1.845 1.00 0.15 N ATOM 596 CA THR A 45 1.737 -4.525 2.252 1.00 0.16 C ATOM 597 C THR A 45 2.608 -4.029 1.100 1.00 0.13 C ATOM 598 O THR A 45 2.087 -3.500 0.118 1.00 0.14 O ATOM 599 CB THR A 45 2.115 -5.978 2.635 1.00 0.19 C ATOM 600 OG1 THR A 45 3.385 -6.013 3.306 1.00 0.21 O ATOM 601 CG2 THR A 45 2.159 -6.875 1.403 1.00 0.20 C ATOM 0 H THR A 45 0.216 -4.227 0.858 1.00 0.15 H new ATOM 0 HA THR A 45 1.898 -3.899 3.130 1.00 0.16 H new ATOM 0 HB THR A 45 1.346 -6.352 3.311 1.00 0.19 H new ATOM 0 HG1 THR A 45 3.274 -5.713 4.232 1.00 0.21 H new ATOM 0 HG21 THR A 45 2.427 -7.889 1.700 1.00 0.20 H new ATOM 0 HG22 THR A 45 1.180 -6.884 0.924 1.00 0.20 H new ATOM 0 HG23 THR A 45 2.902 -6.494 0.702 1.00 0.20 H new ATOM 609 N CYS A 46 3.917 -4.187 1.202 1.00 0.15 N ATOM 610 CA CYS A 46 4.803 -3.762 0.131 1.00 0.14 C ATOM 611 C CYS A 46 5.985 -4.716 -0.015 1.00 0.15 C ATOM 612 O CYS A 46 6.243 -5.539 0.864 1.00 0.19 O ATOM 613 CB CYS A 46 5.290 -2.329 0.370 1.00 0.16 C ATOM 614 SG CYS A 46 6.190 -2.094 1.916 1.00 0.19 S ATOM 0 H CYS A 46 4.386 -4.602 2.007 1.00 0.15 H new ATOM 0 HA CYS A 46 4.238 -3.783 -0.801 1.00 0.14 H new ATOM 0 HB2 CYS A 46 5.933 -2.034 -0.459 1.00 0.16 H new ATOM 0 HB3 CYS A 46 4.430 -1.660 0.359 1.00 0.16 H new ATOM 0 HG CYS A 46 6.558 -0.852 2.019 1.00 0.19 H new ATOM 620 N SER A 47 6.679 -4.610 -1.145 1.00 0.19 N ATOM 621 CA SER A 47 7.868 -5.408 -1.413 1.00 0.27 C ATOM 622 C SER A 47 8.955 -5.133 -0.372 1.00 0.25 C ATOM 623 O SER A 47 8.946 -4.095 0.296 1.00 0.25 O ATOM 624 CB SER A 47 8.382 -5.078 -2.818 1.00 0.41 C ATOM 625 OG SER A 47 9.542 -5.824 -3.138 1.00 1.15 O ATOM 0 H SER A 47 6.432 -3.969 -1.899 1.00 0.19 H new ATOM 0 HA SER A 47 7.610 -6.465 -1.354 1.00 0.27 H new ATOM 0 HB2 SER A 47 7.601 -5.287 -3.550 1.00 0.41 H new ATOM 0 HB3 SER A 47 8.604 -4.013 -2.884 1.00 0.41 H new ATOM 0 HG SER A 47 9.842 -5.591 -4.041 1.00 1.15 H new ATOM 631 N LYS A 48 9.897 -6.065 -0.257 1.00 0.29 N ATOM 632 CA LYS A 48 10.963 -5.978 0.740 1.00 0.31 C ATOM 633 C LYS A 48 11.952 -4.866 0.425 1.00 0.27 C ATOM 634 O LYS A 48 12.784 -4.523 1.260 1.00 0.40 O ATOM 635 CB LYS A 48 11.724 -7.295 0.836 1.00 0.39 C ATOM 636 CG LYS A 48 10.967 -8.401 1.536 1.00 0.56 C ATOM 637 CD LYS A 48 11.843 -9.627 1.690 1.00 0.74 C ATOM 638 CE LYS A 48 11.176 -10.694 2.532 1.00 1.36 C ATOM 639 NZ LYS A 48 12.031 -11.898 2.656 1.00 2.10 N ATOM 0 H LYS A 48 9.944 -6.896 -0.847 1.00 0.29 H new ATOM 0 HA LYS A 48 10.479 -5.756 1.691 1.00 0.31 H new ATOM 0 HB2 LYS A 48 11.981 -7.627 -0.170 1.00 0.39 H new ATOM 0 HB3 LYS A 48 12.662 -7.122 1.364 1.00 0.39 H new ATOM 0 HG2 LYS A 48 10.635 -8.059 2.516 1.00 0.56 H new ATOM 0 HG3 LYS A 48 10.073 -8.655 0.967 1.00 0.56 H new ATOM 0 HD2 LYS A 48 12.075 -10.034 0.706 1.00 0.74 H new ATOM 0 HD3 LYS A 48 12.790 -9.342 2.148 1.00 0.74 H new ATOM 0 HE2 LYS A 48 10.960 -10.295 3.523 1.00 1.36 H new ATOM 0 HE3 LYS A 48 10.221 -10.969 2.084 1.00 1.36 H new ATOM 0 HZ1 LYS A 48 11.546 -12.610 3.238 1.00 2.10 H new ATOM 0 HZ2 LYS A 48 12.216 -12.291 1.711 1.00 2.10 H new ATOM 0 HZ3 LYS A 48 12.932 -11.639 3.106 1.00 2.10 H new ATOM 653 N ASP A 49 11.892 -4.334 -0.785 1.00 0.27 N ATOM 654 CA ASP A 49 12.723 -3.191 -1.146 1.00 0.27 C ATOM 655 C ASP A 49 11.862 -1.956 -1.319 1.00 0.25 C ATOM 656 O ASP A 49 12.332 -0.913 -1.775 1.00 0.28 O ATOM 657 CB ASP A 49 13.511 -3.451 -2.429 1.00 0.36 C ATOM 658 CG ASP A 49 14.538 -4.553 -2.274 1.00 0.48 C ATOM 659 OD1 ASP A 49 15.660 -4.266 -1.807 1.00 0.71 O ATOM 660 OD2 ASP A 49 14.231 -5.712 -2.620 1.00 0.56 O ATOM 0 H ASP A 49 11.282 -4.670 -1.531 1.00 0.27 H new ATOM 0 HA ASP A 49 13.436 -3.032 -0.337 1.00 0.27 H new ATOM 0 HB2 ASP A 49 12.818 -3.716 -3.228 1.00 0.36 H new ATOM 0 HB3 ASP A 49 14.013 -2.533 -2.734 1.00 0.36 H new ATOM 665 N GLY A 50 10.590 -2.093 -0.954 1.00 0.23 N ATOM 666 CA GLY A 50 9.643 -1.000 -1.071 1.00 0.25 C ATOM 667 C GLY A 50 9.441 -0.554 -2.502 1.00 0.28 C ATOM 668 O GLY A 50 9.037 0.574 -2.756 1.00 0.43 O ATOM 0 H GLY A 50 10.196 -2.954 -0.575 1.00 0.23 H new ATOM 0 HA2 GLY A 50 8.685 -1.308 -0.652 1.00 0.25 H new ATOM 0 HA3 GLY A 50 9.994 -0.156 -0.478 1.00 0.25 H new ATOM 672 N GLU A 51 9.722 -1.449 -3.436 1.00 0.25 N ATOM 673 CA GLU A 51 9.570 -1.150 -4.856 1.00 0.30 C ATOM 674 C GLU A 51 8.136 -1.377 -5.323 1.00 0.22 C ATOM 675 O GLU A 51 7.756 -0.951 -6.414 1.00 0.27 O ATOM 676 CB GLU A 51 10.516 -2.021 -5.682 1.00 0.40 C ATOM 677 CG GLU A 51 11.981 -1.841 -5.327 1.00 0.74 C ATOM 678 CD GLU A 51 12.897 -2.685 -6.187 1.00 1.30 C ATOM 679 OE1 GLU A 51 13.452 -2.159 -7.174 1.00 1.80 O ATOM 680 OE2 GLU A 51 13.074 -3.880 -5.873 1.00 1.99 O ATOM 0 H GLU A 51 10.058 -2.392 -3.238 1.00 0.25 H new ATOM 0 HA GLU A 51 9.817 -0.098 -5.000 1.00 0.30 H new ATOM 0 HB2 GLU A 51 10.244 -3.068 -5.545 1.00 0.40 H new ATOM 0 HB3 GLU A 51 10.377 -1.792 -6.738 1.00 0.40 H new ATOM 0 HG2 GLU A 51 12.251 -0.791 -5.437 1.00 0.74 H new ATOM 0 HG3 GLU A 51 12.132 -2.101 -4.279 1.00 0.74 H new ATOM 687 N GLU A 52 7.333 -2.024 -4.493 1.00 0.24 N ATOM 688 CA GLU A 52 6.009 -2.447 -4.917 1.00 0.21 C ATOM 689 C GLU A 52 5.042 -2.469 -3.746 1.00 0.18 C ATOM 690 O GLU A 52 5.440 -2.730 -2.617 1.00 0.21 O ATOM 691 CB GLU A 52 6.113 -3.838 -5.529 1.00 0.27 C ATOM 692 CG GLU A 52 5.072 -4.129 -6.597 1.00 0.56 C ATOM 693 CD GLU A 52 5.478 -5.268 -7.509 1.00 0.97 C ATOM 694 OE1 GLU A 52 5.695 -6.387 -7.006 1.00 1.29 O ATOM 695 OE2 GLU A 52 5.560 -5.058 -8.739 1.00 1.49 O ATOM 0 H GLU A 52 7.572 -2.266 -3.531 1.00 0.24 H new ATOM 0 HA GLU A 52 5.628 -1.739 -5.652 1.00 0.21 H new ATOM 0 HB2 GLU A 52 7.106 -3.958 -5.963 1.00 0.27 H new ATOM 0 HB3 GLU A 52 6.020 -4.580 -4.736 1.00 0.27 H new ATOM 0 HG2 GLU A 52 4.123 -4.372 -6.118 1.00 0.56 H new ATOM 0 HG3 GLU A 52 4.908 -3.232 -7.193 1.00 0.56 H new ATOM 702 N VAL A 53 3.783 -2.187 -4.030 1.00 0.16 N ATOM 703 CA VAL A 53 2.719 -2.273 -3.039 1.00 0.16 C ATOM 704 C VAL A 53 1.835 -3.463 -3.373 1.00 0.18 C ATOM 705 O VAL A 53 1.349 -3.573 -4.494 1.00 0.34 O ATOM 706 CB VAL A 53 1.852 -0.997 -3.008 1.00 0.17 C ATOM 707 CG1 VAL A 53 0.791 -1.085 -1.920 1.00 0.20 C ATOM 708 CG2 VAL A 53 2.717 0.237 -2.818 1.00 0.21 C ATOM 0 H VAL A 53 3.467 -1.892 -4.954 1.00 0.16 H new ATOM 0 HA VAL A 53 3.180 -2.388 -2.058 1.00 0.16 H new ATOM 0 HB VAL A 53 1.343 -0.912 -3.968 1.00 0.17 H new ATOM 0 HG11 VAL A 53 0.194 -0.173 -1.920 1.00 0.20 H new ATOM 0 HG12 VAL A 53 0.145 -1.942 -2.110 1.00 0.20 H new ATOM 0 HG13 VAL A 53 1.274 -1.203 -0.950 1.00 0.20 H new ATOM 0 HG21 VAL A 53 2.085 1.125 -2.799 1.00 0.21 H new ATOM 0 HG22 VAL A 53 3.261 0.159 -1.877 1.00 0.21 H new ATOM 0 HG23 VAL A 53 3.427 0.314 -3.642 1.00 0.21 H new ATOM 718 N GLN A 54 1.632 -4.346 -2.412 1.00 0.16 N ATOM 719 CA GLN A 54 0.928 -5.592 -2.669 1.00 0.16 C ATOM 720 C GLN A 54 -0.315 -5.693 -1.796 1.00 0.16 C ATOM 721 O GLN A 54 -0.418 -5.016 -0.774 1.00 0.24 O ATOM 722 CB GLN A 54 1.837 -6.787 -2.371 1.00 0.29 C ATOM 723 CG GLN A 54 3.300 -6.572 -2.725 1.00 0.68 C ATOM 724 CD GLN A 54 3.565 -6.584 -4.217 1.00 1.17 C ATOM 725 OE1 GLN A 54 2.712 -6.223 -5.025 1.00 2.12 O ATOM 726 NE2 GLN A 54 4.755 -7.013 -4.590 1.00 0.88 N ATOM 0 H GLN A 54 1.943 -4.225 -1.448 1.00 0.16 H new ATOM 0 HA GLN A 54 0.637 -5.603 -3.719 1.00 0.16 H new ATOM 0 HB2 GLN A 54 1.765 -7.026 -1.310 1.00 0.29 H new ATOM 0 HB3 GLN A 54 1.468 -7.654 -2.919 1.00 0.29 H new ATOM 0 HG2 GLN A 54 3.630 -5.619 -2.312 1.00 0.68 H new ATOM 0 HG3 GLN A 54 3.899 -7.349 -2.251 1.00 0.68 H new ATOM 0 HE21 GLN A 54 5.435 -7.304 -3.888 1.00 0.88 H new ATOM 0 HE22 GLN A 54 4.995 -7.054 -5.581 1.00 0.88 H new ATOM 735 N TRP A 55 -1.249 -6.538 -2.201 1.00 0.14 N ATOM 736 CA TRP A 55 -2.412 -6.831 -1.378 1.00 0.16 C ATOM 737 C TRP A 55 -2.880 -8.266 -1.570 1.00 0.17 C ATOM 738 O TRP A 55 -2.672 -8.877 -2.621 1.00 0.18 O ATOM 739 CB TRP A 55 -3.565 -5.854 -1.642 1.00 0.18 C ATOM 740 CG TRP A 55 -3.874 -5.619 -3.090 1.00 0.18 C ATOM 741 CD1 TRP A 55 -4.566 -6.438 -3.938 1.00 0.22 C ATOM 742 CD2 TRP A 55 -3.516 -4.465 -3.848 1.00 0.19 C ATOM 743 NE1 TRP A 55 -4.645 -5.863 -5.186 1.00 0.23 N ATOM 744 CE2 TRP A 55 -4.008 -4.649 -5.153 1.00 0.21 C ATOM 745 CE3 TRP A 55 -2.821 -3.293 -3.546 1.00 0.24 C ATOM 746 CZ2 TRP A 55 -3.824 -3.699 -6.155 1.00 0.24 C ATOM 747 CZ3 TRP A 55 -2.641 -2.355 -4.537 1.00 0.29 C ATOM 748 CH2 TRP A 55 -3.139 -2.560 -5.828 1.00 0.28 C ATOM 0 H TRP A 55 -1.225 -7.032 -3.093 1.00 0.14 H new ATOM 0 HA TRP A 55 -2.100 -6.705 -0.341 1.00 0.16 H new ATOM 0 HB2 TRP A 55 -4.462 -6.232 -1.151 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -3.325 -4.898 -1.177 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -4.988 -7.395 -3.669 1.00 0.22 H new ATOM 0 HE1 TRP A 55 -5.102 -6.272 -6.001 1.00 0.23 H new ATOM 0 HE3 TRP A 55 -2.432 -3.125 -2.553 1.00 0.24 H new ATOM 0 HZ2 TRP A 55 -4.207 -3.855 -7.152 1.00 0.24 H new ATOM 0 HZ3 TRP A 55 -2.105 -1.444 -4.314 1.00 0.29 H new ATOM 0 HH2 TRP A 55 -2.980 -1.804 -6.582 1.00 0.28 H new ATOM 759 N PHE A 56 -3.483 -8.802 -0.527 1.00 0.21 N ATOM 760 CA PHE A 56 -4.026 -10.147 -0.545 1.00 0.23 C ATOM 761 C PHE A 56 -5.533 -10.085 -0.338 1.00 0.23 C ATOM 762 O PHE A 56 -6.002 -9.705 0.733 1.00 0.26 O ATOM 763 CB PHE A 56 -3.372 -10.993 0.549 1.00 0.26 C ATOM 764 CG PHE A 56 -1.869 -10.985 0.497 1.00 0.30 C ATOM 765 CD1 PHE A 56 -1.183 -11.929 -0.253 1.00 0.45 C ATOM 766 CD2 PHE A 56 -1.141 -10.037 1.194 1.00 0.37 C ATOM 767 CE1 PHE A 56 0.197 -11.925 -0.306 1.00 0.53 C ATOM 768 CE2 PHE A 56 0.241 -10.029 1.143 1.00 0.44 C ATOM 769 CZ PHE A 56 0.910 -10.965 0.408 1.00 0.48 C ATOM 0 H PHE A 56 -3.611 -8.315 0.360 1.00 0.21 H new ATOM 0 HA PHE A 56 -3.816 -10.610 -1.509 1.00 0.23 H new ATOM 0 HB2 PHE A 56 -3.696 -10.626 1.523 1.00 0.26 H new ATOM 0 HB3 PHE A 56 -3.725 -12.021 0.462 1.00 0.26 H new ATOM 0 HD1 PHE A 56 -1.735 -12.677 -0.803 1.00 0.45 H new ATOM 0 HD2 PHE A 56 -1.658 -9.295 1.784 1.00 0.37 H new ATOM 0 HE1 PHE A 56 0.720 -12.662 -0.898 1.00 0.53 H new ATOM 0 HE2 PHE A 56 0.794 -9.278 1.688 1.00 0.44 H new ATOM 0 HZ PHE A 56 1.990 -10.961 0.380 1.00 0.48 H new ATOM 779 N LYS A 57 -6.280 -10.447 -1.367 1.00 0.28 N ATOM 780 CA LYS A 57 -7.729 -10.297 -1.357 1.00 0.29 C ATOM 781 C LYS A 57 -8.396 -11.407 -0.560 1.00 0.35 C ATOM 782 O LYS A 57 -8.163 -12.592 -0.815 1.00 0.54 O ATOM 783 CB LYS A 57 -8.263 -10.305 -2.787 1.00 0.35 C ATOM 784 CG LYS A 57 -7.618 -9.267 -3.688 1.00 0.36 C ATOM 785 CD LYS A 57 -8.062 -9.423 -5.136 1.00 0.55 C ATOM 786 CE LYS A 57 -7.691 -10.785 -5.701 1.00 0.95 C ATOM 787 NZ LYS A 57 -8.024 -10.900 -7.144 1.00 1.20 N ATOM 0 H LYS A 57 -5.906 -10.850 -2.226 1.00 0.28 H new ATOM 0 HA LYS A 57 -7.963 -9.345 -0.881 1.00 0.29 H new ATOM 0 HB2 LYS A 57 -8.106 -11.294 -3.218 1.00 0.35 H new ATOM 0 HB3 LYS A 57 -9.339 -10.134 -2.764 1.00 0.35 H new ATOM 0 HG2 LYS A 57 -7.875 -8.268 -3.334 1.00 0.36 H new ATOM 0 HG3 LYS A 57 -6.533 -9.357 -3.628 1.00 0.36 H new ATOM 0 HD2 LYS A 57 -9.141 -9.285 -5.201 1.00 0.55 H new ATOM 0 HD3 LYS A 57 -7.603 -8.642 -5.742 1.00 0.55 H new ATOM 0 HE2 LYS A 57 -6.624 -10.957 -5.561 1.00 0.95 H new ATOM 0 HE3 LYS A 57 -8.215 -11.563 -5.145 1.00 0.95 H new ATOM 0 HZ1 LYS A 57 -7.755 -11.844 -7.488 1.00 1.20 H new ATOM 0 HZ2 LYS A 57 -9.046 -10.762 -7.276 1.00 1.20 H new ATOM 0 HZ3 LYS A 57 -7.505 -10.175 -7.679 1.00 1.20 H new ATOM 979 N PRO A 70 1.579 -12.322 -3.649 1.00 0.51 N ATOM 980 CA PRO A 70 0.423 -11.452 -3.444 1.00 0.39 C ATOM 981 C PRO A 70 -0.765 -11.841 -4.311 1.00 0.32 C ATOM 982 O PRO A 70 -0.640 -12.619 -5.260 1.00 0.40 O ATOM 983 CB PRO A 70 0.932 -10.058 -3.838 1.00 0.40 C ATOM 984 CG PRO A 70 2.407 -10.202 -4.013 1.00 0.53 C ATOM 985 CD PRO A 70 2.632 -11.632 -4.400 1.00 0.59 C ATOM 0 HA PRO A 70 0.060 -11.512 -2.418 1.00 0.39 H new ATOM 0 HB2 PRO A 70 0.460 -9.715 -4.759 1.00 0.40 H new ATOM 0 HB3 PRO A 70 0.699 -9.324 -3.067 1.00 0.40 H new ATOM 0 HG2 PRO A 70 2.778 -9.525 -4.783 1.00 0.53 H new ATOM 0 HG3 PRO A 70 2.936 -9.958 -3.092 1.00 0.53 H new ATOM 0 HD2 PRO A 70 2.533 -11.784 -5.475 1.00 0.59 H new ATOM 0 HD3 PRO A 70 3.627 -11.979 -4.120 1.00 0.59 H new ATOM 993 N SER A 71 -1.916 -11.288 -3.977 1.00 0.28 N ATOM 994 CA SER A 71 -3.131 -11.520 -4.733 1.00 0.31 C ATOM 995 C SER A 71 -3.427 -10.282 -5.573 1.00 0.28 C ATOM 996 O SER A 71 -4.540 -10.077 -6.050 1.00 0.40 O ATOM 997 CB SER A 71 -4.285 -11.821 -3.773 1.00 0.41 C ATOM 998 OG SER A 71 -5.392 -12.394 -4.444 1.00 1.02 O ATOM 0 H SER A 71 -2.034 -10.667 -3.176 1.00 0.28 H new ATOM 0 HA SER A 71 -3.010 -12.378 -5.394 1.00 0.31 H new ATOM 0 HB2 SER A 71 -3.941 -12.501 -2.993 1.00 0.41 H new ATOM 0 HB3 SER A 71 -4.596 -10.901 -3.279 1.00 0.41 H new ATOM 0 HG SER A 71 -6.108 -12.574 -3.799 1.00 1.02 H new ATOM 1004 N GLY A 72 -2.401 -9.456 -5.729 1.00 0.24 N ATOM 1005 CA GLY A 72 -2.519 -8.231 -6.483 1.00 0.23 C ATOM 1006 C GLY A 72 -1.539 -7.194 -5.980 1.00 0.22 C ATOM 1007 O GLY A 72 -1.002 -7.334 -4.880 1.00 0.26 O ATOM 0 H GLY A 72 -1.474 -9.621 -5.337 1.00 0.24 H new ATOM 0 HA2 GLY A 72 -2.335 -8.430 -7.539 1.00 0.23 H new ATOM 0 HA3 GLY A 72 -3.536 -7.846 -6.403 1.00 0.23 H new ATOM 1011 N GLY A 73 -1.287 -6.172 -6.779 1.00 0.24 N ATOM 1012 CA GLY A 73 -0.394 -5.116 -6.356 1.00 0.29 C ATOM 1013 C GLY A 73 0.018 -4.211 -7.497 1.00 0.27 C ATOM 1014 O GLY A 73 -0.504 -4.328 -8.610 1.00 0.40 O ATOM 0 H GLY A 73 -1.684 -6.054 -7.711 1.00 0.24 H new ATOM 0 HA2 GLY A 73 -0.881 -4.521 -5.583 1.00 0.29 H new ATOM 0 HA3 GLY A 73 0.496 -5.556 -5.906 1.00 0.29 H new ATOM 1018 N PHE A 74 0.949 -3.309 -7.215 1.00 0.20 N ATOM 1019 CA PHE A 74 1.459 -2.376 -8.215 1.00 0.19 C ATOM 1020 C PHE A 74 2.739 -1.705 -7.713 1.00 0.19 C ATOM 1021 O PHE A 74 2.932 -1.545 -6.508 1.00 0.19 O ATOM 1022 CB PHE A 74 0.402 -1.314 -8.585 1.00 0.18 C ATOM 1023 CG PHE A 74 0.034 -0.338 -7.490 1.00 0.17 C ATOM 1024 CD1 PHE A 74 -0.151 -0.749 -6.179 1.00 0.20 C ATOM 1025 CD2 PHE A 74 -0.146 1.000 -7.791 1.00 0.17 C ATOM 1026 CE1 PHE A 74 -0.503 0.157 -5.195 1.00 0.21 C ATOM 1027 CE2 PHE A 74 -0.498 1.908 -6.813 1.00 0.18 C ATOM 1028 CZ PHE A 74 -0.678 1.487 -5.514 1.00 0.18 C ATOM 0 H PHE A 74 1.371 -3.202 -6.292 1.00 0.20 H new ATOM 0 HA PHE A 74 1.689 -2.944 -9.116 1.00 0.19 H new ATOM 0 HB2 PHE A 74 0.768 -0.748 -9.441 1.00 0.18 H new ATOM 0 HB3 PHE A 74 -0.504 -1.828 -8.906 1.00 0.18 H new ATOM 0 HD1 PHE A 74 -0.019 -1.790 -5.923 1.00 0.20 H new ATOM 0 HD2 PHE A 74 -0.009 1.339 -8.807 1.00 0.17 H new ATOM 0 HE1 PHE A 74 -0.641 -0.177 -4.177 1.00 0.21 H new ATOM 0 HE2 PHE A 74 -0.632 2.949 -7.066 1.00 0.18 H new ATOM 0 HZ PHE A 74 -0.955 2.196 -4.748 1.00 0.18 H new ATOM 1038 N PRO A 75 3.636 -1.318 -8.637 1.00 0.20 N ATOM 1039 CA PRO A 75 4.924 -0.704 -8.291 1.00 0.20 C ATOM 1040 C PRO A 75 4.761 0.671 -7.651 1.00 0.19 C ATOM 1041 O PRO A 75 3.962 1.494 -8.102 1.00 0.20 O ATOM 1042 CB PRO A 75 5.646 -0.571 -9.638 1.00 0.23 C ATOM 1043 CG PRO A 75 4.883 -1.430 -10.588 1.00 0.25 C ATOM 1044 CD PRO A 75 3.470 -1.440 -10.090 1.00 0.22 C ATOM 0 HA PRO A 75 5.465 -1.304 -7.560 1.00 0.20 H new ATOM 0 HB2 PRO A 75 5.662 0.466 -9.973 1.00 0.23 H new ATOM 0 HB3 PRO A 75 6.683 -0.897 -9.561 1.00 0.23 H new ATOM 0 HG2 PRO A 75 4.937 -1.034 -11.602 1.00 0.25 H new ATOM 0 HG3 PRO A 75 5.294 -2.439 -10.618 1.00 0.25 H new ATOM 0 HD2 PRO A 75 2.890 -0.614 -10.502 1.00 0.22 H new ATOM 0 HD3 PRO A 75 2.952 -2.360 -10.362 1.00 0.22 H new ATOM 1052 N VAL A 76 5.560 0.906 -6.614 1.00 0.19 N ATOM 1053 CA VAL A 76 5.511 2.141 -5.833 1.00 0.18 C ATOM 1054 C VAL A 76 5.853 3.355 -6.686 1.00 0.19 C ATOM 1055 O VAL A 76 5.243 4.414 -6.559 1.00 0.19 O ATOM 1056 CB VAL A 76 6.492 2.070 -4.644 1.00 0.21 C ATOM 1057 CG1 VAL A 76 6.609 3.412 -3.944 1.00 0.30 C ATOM 1058 CG2 VAL A 76 6.054 1.002 -3.657 1.00 0.25 C ATOM 0 H VAL A 76 6.263 0.243 -6.289 1.00 0.19 H new ATOM 0 HA VAL A 76 4.491 2.248 -5.463 1.00 0.18 H new ATOM 0 HB VAL A 76 7.474 1.807 -5.038 1.00 0.21 H new ATOM 0 HG11 VAL A 76 7.307 3.328 -3.111 1.00 0.30 H new ATOM 0 HG12 VAL A 76 6.973 4.160 -4.649 1.00 0.30 H new ATOM 0 HG13 VAL A 76 5.631 3.713 -3.568 1.00 0.30 H new ATOM 0 HG21 VAL A 76 6.757 0.965 -2.825 1.00 0.25 H new ATOM 0 HG22 VAL A 76 5.059 1.240 -3.281 1.00 0.25 H new ATOM 0 HG23 VAL A 76 6.031 0.033 -4.156 1.00 0.25 H new ATOM 1068 N ASP A 77 6.824 3.185 -7.565 1.00 0.21 N ATOM 1069 CA ASP A 77 7.285 4.270 -8.420 1.00 0.24 C ATOM 1070 C ASP A 77 6.238 4.627 -9.470 1.00 0.23 C ATOM 1071 O ASP A 77 6.264 5.710 -10.053 1.00 0.30 O ATOM 1072 CB ASP A 77 8.596 3.863 -9.095 1.00 0.31 C ATOM 1073 CG ASP A 77 9.076 4.869 -10.123 1.00 0.73 C ATOM 1074 OD1 ASP A 77 9.473 5.987 -9.737 1.00 0.77 O ATOM 1075 OD2 ASP A 77 9.074 4.536 -11.328 1.00 1.29 O ATOM 0 H ASP A 77 7.313 2.301 -7.708 1.00 0.21 H new ATOM 0 HA ASP A 77 7.451 5.153 -7.803 1.00 0.24 H new ATOM 0 HB2 ASP A 77 9.365 3.736 -8.333 1.00 0.31 H new ATOM 0 HB3 ASP A 77 8.463 2.895 -9.578 1.00 0.31 H new ATOM 1080 N LYS A 78 5.300 3.723 -9.689 1.00 0.19 N ATOM 1081 CA LYS A 78 4.314 3.895 -10.743 1.00 0.20 C ATOM 1082 C LYS A 78 3.020 4.508 -10.211 1.00 0.17 C ATOM 1083 O LYS A 78 2.108 4.817 -10.981 1.00 0.18 O ATOM 1084 CB LYS A 78 4.046 2.557 -11.437 1.00 0.22 C ATOM 1085 CG LYS A 78 5.063 2.217 -12.525 1.00 0.28 C ATOM 1086 CD LYS A 78 6.490 2.184 -11.998 1.00 0.34 C ATOM 1087 CE LYS A 78 7.502 2.095 -13.129 1.00 0.47 C ATOM 1088 NZ LYS A 78 8.899 2.211 -12.636 1.00 1.54 N ATOM 0 H LYS A 78 5.199 2.862 -9.152 1.00 0.19 H new ATOM 0 HA LYS A 78 4.720 4.593 -11.475 1.00 0.20 H new ATOM 0 HB2 LYS A 78 4.047 1.763 -10.690 1.00 0.22 H new ATOM 0 HB3 LYS A 78 3.049 2.579 -11.877 1.00 0.22 H new ATOM 0 HG2 LYS A 78 4.816 1.248 -12.958 1.00 0.28 H new ATOM 0 HG3 LYS A 78 4.992 2.952 -13.327 1.00 0.28 H new ATOM 0 HD2 LYS A 78 6.681 3.080 -11.407 1.00 0.34 H new ATOM 0 HD3 LYS A 78 6.613 1.331 -11.331 1.00 0.34 H new ATOM 0 HE2 LYS A 78 7.379 1.146 -13.651 1.00 0.47 H new ATOM 0 HE3 LYS A 78 7.306 2.885 -13.854 1.00 0.47 H new ATOM 0 HZ1 LYS A 78 9.515 2.533 -13.410 1.00 1.54 H new ATOM 0 HZ2 LYS A 78 8.936 2.898 -11.856 1.00 1.54 H new ATOM 0 HZ3 LYS A 78 9.226 1.284 -12.297 1.00 1.54 H new ATOM 1102 N ILE A 79 2.942 4.679 -8.897 1.00 0.18 N ATOM 1103 CA ILE A 79 1.820 5.380 -8.288 1.00 0.16 C ATOM 1104 C ILE A 79 1.852 6.838 -8.724 1.00 0.18 C ATOM 1105 O ILE A 79 2.889 7.494 -8.627 1.00 0.26 O ATOM 1106 CB ILE A 79 1.878 5.329 -6.746 1.00 0.17 C ATOM 1107 CG1 ILE A 79 2.121 3.900 -6.257 1.00 0.18 C ATOM 1108 CG2 ILE A 79 0.589 5.885 -6.153 1.00 0.18 C ATOM 1109 CD1 ILE A 79 2.201 3.782 -4.749 1.00 0.19 C ATOM 0 H ILE A 79 3.641 4.343 -8.235 1.00 0.18 H new ATOM 0 HA ILE A 79 0.903 4.889 -8.613 1.00 0.16 H new ATOM 0 HB ILE A 79 2.712 5.946 -6.412 1.00 0.17 H new ATOM 0 HG12 ILE A 79 1.319 3.259 -6.621 1.00 0.18 H new ATOM 0 HG13 ILE A 79 3.049 3.529 -6.692 1.00 0.18 H new ATOM 0 HG21 ILE A 79 0.642 5.844 -5.065 1.00 0.18 H new ATOM 0 HG22 ILE A 79 0.459 6.919 -6.471 1.00 0.18 H new ATOM 0 HG23 ILE A 79 -0.257 5.290 -6.498 1.00 0.18 H new ATOM 0 HD11 ILE A 79 2.375 2.742 -4.474 1.00 0.19 H new ATOM 0 HD12 ILE A 79 3.021 4.397 -4.379 1.00 0.19 H new ATOM 0 HD13 ILE A 79 1.265 4.123 -4.307 1.00 0.19 H new ATOM 1121 N THR A 80 0.730 7.349 -9.211 1.00 0.15 N ATOM 1122 CA THR A 80 0.710 8.706 -9.720 1.00 0.18 C ATOM 1123 C THR A 80 0.345 9.704 -8.622 1.00 0.21 C ATOM 1124 O THR A 80 0.936 10.779 -8.540 1.00 0.28 O ATOM 1125 CB THR A 80 -0.232 8.870 -10.938 1.00 0.20 C ATOM 1126 OG1 THR A 80 -0.158 10.209 -11.440 1.00 0.27 O ATOM 1127 CG2 THR A 80 -1.675 8.542 -10.597 1.00 0.18 C ATOM 0 H THR A 80 -0.160 6.853 -9.263 1.00 0.15 H new ATOM 0 HA THR A 80 1.722 8.921 -10.064 1.00 0.18 H new ATOM 0 HB THR A 80 0.102 8.164 -11.698 1.00 0.20 H new ATOM 0 HG1 THR A 80 -0.756 10.303 -12.211 1.00 0.27 H new ATOM 0 HG21 THR A 80 -2.297 8.672 -11.483 1.00 0.18 H new ATOM 0 HG22 THR A 80 -1.742 7.509 -10.255 1.00 0.18 H new ATOM 0 HG23 THR A 80 -2.023 9.209 -9.808 1.00 0.18 H new ATOM 1135 N SER A 81 -0.616 9.349 -7.767 1.00 0.18 N ATOM 1136 CA SER A 81 -1.057 10.252 -6.706 1.00 0.21 C ATOM 1137 C SER A 81 -1.749 9.482 -5.577 1.00 0.17 C ATOM 1138 O SER A 81 -2.537 8.566 -5.828 1.00 0.19 O ATOM 1139 CB SER A 81 -2.011 11.311 -7.276 1.00 0.30 C ATOM 1140 OG SER A 81 -1.416 12.027 -8.351 1.00 0.88 O ATOM 0 H SER A 81 -1.099 8.451 -7.789 1.00 0.18 H new ATOM 0 HA SER A 81 -0.176 10.744 -6.294 1.00 0.21 H new ATOM 0 HB2 SER A 81 -2.926 10.829 -7.621 1.00 0.30 H new ATOM 0 HB3 SER A 81 -2.295 12.008 -6.487 1.00 0.30 H new ATOM 0 HG SER A 81 -0.441 11.941 -8.302 1.00 0.88 H new ATOM 1146 N VAL A 82 -1.443 9.862 -4.339 1.00 0.20 N ATOM 1147 CA VAL A 82 -2.054 9.260 -3.157 1.00 0.21 C ATOM 1148 C VAL A 82 -2.797 10.332 -2.369 1.00 0.21 C ATOM 1149 O VAL A 82 -2.180 11.206 -1.757 1.00 0.24 O ATOM 1150 CB VAL A 82 -0.993 8.584 -2.255 1.00 0.27 C ATOM 1151 CG1 VAL A 82 -1.590 8.132 -0.930 1.00 1.36 C ATOM 1152 CG2 VAL A 82 -0.365 7.405 -2.971 1.00 1.01 C ATOM 0 H VAL A 82 -0.766 10.595 -4.127 1.00 0.20 H new ATOM 0 HA VAL A 82 -2.752 8.491 -3.486 1.00 0.21 H new ATOM 0 HB VAL A 82 -0.223 9.325 -2.041 1.00 0.27 H new ATOM 0 HG11 VAL A 82 -0.816 7.662 -0.323 1.00 1.36 H new ATOM 0 HG12 VAL A 82 -1.993 8.995 -0.399 1.00 1.36 H new ATOM 0 HG13 VAL A 82 -2.389 7.415 -1.117 1.00 1.36 H new ATOM 0 HG21 VAL A 82 0.379 6.940 -2.324 1.00 1.01 H new ATOM 0 HG22 VAL A 82 -1.137 6.676 -3.218 1.00 1.01 H new ATOM 0 HG23 VAL A 82 0.115 7.749 -3.887 1.00 1.01 H new ATOM 1162 N LYS A 83 -4.120 10.282 -2.416 1.00 0.21 N ATOM 1163 CA LYS A 83 -4.944 11.310 -1.803 1.00 0.23 C ATOM 1164 C LYS A 83 -5.986 10.707 -0.867 1.00 0.22 C ATOM 1165 O LYS A 83 -6.211 9.496 -0.844 1.00 0.21 O ATOM 1166 CB LYS A 83 -5.664 12.132 -2.877 1.00 0.30 C ATOM 1167 CG LYS A 83 -4.806 12.472 -4.084 1.00 0.80 C ATOM 1168 CD LYS A 83 -4.899 11.412 -5.172 1.00 0.55 C ATOM 1169 CE LYS A 83 -6.286 11.364 -5.799 1.00 1.14 C ATOM 1170 NZ LYS A 83 -6.679 12.673 -6.386 1.00 1.70 N ATOM 0 H LYS A 83 -4.646 9.538 -2.874 1.00 0.21 H new ATOM 0 HA LYS A 83 -4.279 11.952 -1.226 1.00 0.23 H new ATOM 0 HB2 LYS A 83 -6.541 11.579 -3.214 1.00 0.30 H new ATOM 0 HB3 LYS A 83 -6.023 13.058 -2.429 1.00 0.30 H new ATOM 0 HG2 LYS A 83 -5.117 13.435 -4.489 1.00 0.80 H new ATOM 0 HG3 LYS A 83 -3.767 12.579 -3.771 1.00 0.80 H new ATOM 0 HD2 LYS A 83 -4.158 11.618 -5.944 1.00 0.55 H new ATOM 0 HD3 LYS A 83 -4.657 10.436 -4.750 1.00 0.55 H new ATOM 0 HE2 LYS A 83 -6.307 10.598 -6.575 1.00 1.14 H new ATOM 0 HE3 LYS A 83 -7.015 11.072 -5.043 1.00 1.14 H new ATOM 0 HZ1 LYS A 83 -7.097 12.520 -7.326 1.00 1.70 H new ATOM 0 HZ2 LYS A 83 -7.376 13.136 -5.768 1.00 1.70 H new ATOM 0 HZ3 LYS A 83 -5.839 13.280 -6.475 1.00 1.70 H new ATOM 1184 N SER A 84 -6.594 11.567 -0.077 1.00 0.26 N ATOM 1185 CA SER A 84 -7.727 11.195 0.738 1.00 0.26 C ATOM 1186 C SER A 84 -8.972 11.896 0.197 1.00 0.29 C ATOM 1187 O SER A 84 -8.859 12.914 -0.492 1.00 0.32 O ATOM 1188 CB SER A 84 -7.476 11.564 2.201 1.00 0.30 C ATOM 1189 OG SER A 84 -7.198 12.945 2.339 1.00 0.72 O ATOM 0 H SER A 84 -6.315 12.544 0.017 1.00 0.26 H new ATOM 0 HA SER A 84 -7.877 10.116 0.695 1.00 0.26 H new ATOM 0 HB2 SER A 84 -8.349 11.304 2.799 1.00 0.30 H new ATOM 0 HB3 SER A 84 -6.640 10.981 2.588 1.00 0.30 H new ATOM 0 HG SER A 84 -7.043 13.155 3.284 1.00 0.72 H new ATOM 1195 N GLN A 85 -10.144 11.329 0.461 1.00 0.30 N ATOM 1196 CA GLN A 85 -11.406 11.882 -0.042 1.00 0.37 C ATOM 1197 C GLN A 85 -11.669 13.296 0.491 1.00 0.44 C ATOM 1198 O GLN A 85 -10.818 13.887 1.154 1.00 0.47 O ATOM 1199 CB GLN A 85 -12.564 10.965 0.338 1.00 0.37 C ATOM 1200 CG GLN A 85 -13.315 10.399 -0.854 1.00 0.41 C ATOM 1201 CD GLN A 85 -12.509 9.374 -1.629 1.00 0.39 C ATOM 1202 OE1 GLN A 85 -12.640 9.253 -2.844 1.00 0.46 O ATOM 1203 NE2 GLN A 85 -11.686 8.615 -0.924 1.00 0.34 N ATOM 0 H GLN A 85 -10.251 10.484 1.022 1.00 0.30 H new ATOM 0 HA GLN A 85 -11.325 11.947 -1.127 1.00 0.37 H new ATOM 0 HB2 GLN A 85 -12.180 10.140 0.938 1.00 0.37 H new ATOM 0 HB3 GLN A 85 -13.262 11.518 0.966 1.00 0.37 H new ATOM 0 HG2 GLN A 85 -14.241 9.939 -0.508 1.00 0.41 H new ATOM 0 HG3 GLN A 85 -13.594 11.214 -1.522 1.00 0.41 H new ATOM 0 HE21 GLN A 85 -11.607 8.748 0.084 1.00 0.34 H new ATOM 0 HE22 GLN A 85 -11.131 7.897 -1.389 1.00 0.34 H new ATOM 1212 N ALA A 86 -12.843 13.839 0.199 1.00 0.52 N ATOM 1213 CA ALA A 86 -13.179 15.183 0.647 1.00 0.61 C ATOM 1214 C ALA A 86 -13.461 15.192 2.145 1.00 0.67 C ATOM 1215 O ALA A 86 -12.976 16.058 2.876 1.00 0.72 O ATOM 1216 CB ALA A 86 -14.368 15.723 -0.131 1.00 0.71 C ATOM 0 H ALA A 86 -13.573 13.374 -0.341 1.00 0.52 H new ATOM 0 HA ALA A 86 -12.326 15.834 0.458 1.00 0.61 H new ATOM 0 HB1 ALA A 86 -14.605 16.728 0.218 1.00 0.71 H new ATOM 0 HB2 ALA A 86 -14.124 15.755 -1.193 1.00 0.71 H new ATOM 0 HB3 ALA A 86 -15.229 15.073 0.024 1.00 0.71 H new ATOM 1222 N ASP A 87 -14.229 14.212 2.604 1.00 0.71 N ATOM 1223 CA ASP A 87 -14.489 14.069 4.034 1.00 0.80 C ATOM 1224 C ASP A 87 -13.677 12.912 4.589 1.00 0.65 C ATOM 1225 O ASP A 87 -13.302 12.906 5.763 1.00 0.69 O ATOM 1226 CB ASP A 87 -15.982 13.830 4.272 1.00 0.98 C ATOM 1227 CG ASP A 87 -16.291 13.390 5.687 1.00 1.32 C ATOM 1228 OD1 ASP A 87 -16.285 14.242 6.599 1.00 1.59 O ATOM 1229 OD2 ASP A 87 -16.556 12.186 5.890 1.00 1.50 O ATOM 0 H ASP A 87 -14.679 13.511 2.016 1.00 0.71 H new ATOM 0 HA ASP A 87 -14.195 14.985 4.546 1.00 0.80 H new ATOM 0 HB2 ASP A 87 -16.531 14.746 4.054 1.00 0.98 H new ATOM 0 HB3 ASP A 87 -16.339 13.072 3.575 1.00 0.98 H new ATOM 1234 N ASN A 88 -13.370 11.975 3.692 1.00 0.50 N ATOM 1235 CA ASN A 88 -12.450 10.854 3.927 1.00 0.37 C ATOM 1236 C ASN A 88 -12.471 10.293 5.348 1.00 0.39 C ATOM 1237 O ASN A 88 -11.418 9.922 5.871 1.00 0.44 O ATOM 1238 CB ASN A 88 -11.016 11.250 3.561 1.00 0.36 C ATOM 1239 CG ASN A 88 -10.491 12.452 4.338 1.00 0.49 C ATOM 1240 OD1 ASN A 88 -10.639 13.594 3.909 1.00 1.10 O ATOM 1241 ND2 ASN A 88 -9.880 12.205 5.486 1.00 1.14 N ATOM 0 H ASN A 88 -13.765 11.972 2.752 1.00 0.50 H new ATOM 0 HA ASN A 88 -12.811 10.056 3.279 1.00 0.37 H new ATOM 0 HB2 ASN A 88 -10.358 10.399 3.738 1.00 0.36 H new ATOM 0 HB3 ASN A 88 -10.971 11.471 2.495 1.00 0.36 H new ATOM 0 HD21 ASN A 88 -9.514 12.976 6.045 1.00 1.14 H new ATOM 0 HD22 ASN A 88 -9.775 11.244 5.811 1.00 1.14 H new ATOM 1248 N THR A 89 -13.649 10.194 5.960 1.00 0.43 N ATOM 1249 CA THR A 89 -13.735 9.660 7.311 1.00 0.48 C ATOM 1250 C THR A 89 -13.138 8.262 7.358 1.00 0.43 C ATOM 1251 O THR A 89 -12.226 8.006 8.137 1.00 0.48 O ATOM 1252 CB THR A 89 -15.177 9.639 7.852 1.00 0.58 C ATOM 1253 OG1 THR A 89 -15.663 10.982 8.004 1.00 0.68 O ATOM 1254 CG2 THR A 89 -15.235 8.922 9.195 1.00 0.67 C ATOM 0 H THR A 89 -14.540 10.472 5.549 1.00 0.43 H new ATOM 0 HA THR A 89 -13.163 10.328 7.956 1.00 0.48 H new ATOM 0 HB THR A 89 -15.804 9.103 7.139 1.00 0.58 H new ATOM 0 HG1 THR A 89 -16.153 11.246 7.197 1.00 0.68 H new ATOM 0 HG21 THR A 89 -16.262 8.917 9.561 1.00 0.67 H new ATOM 0 HG22 THR A 89 -14.888 7.896 9.075 1.00 0.67 H new ATOM 0 HG23 THR A 89 -14.597 9.439 9.911 1.00 0.67 H new ATOM 1262 N LYS A 90 -13.676 7.348 6.564 1.00 0.38 N ATOM 1263 CA LYS A 90 -13.028 6.062 6.367 1.00 0.35 C ATOM 1264 C LYS A 90 -12.578 5.856 4.915 1.00 0.29 C ATOM 1265 O LYS A 90 -12.194 4.751 4.540 1.00 0.32 O ATOM 1266 CB LYS A 90 -13.916 4.908 6.824 1.00 0.44 C ATOM 1267 CG LYS A 90 -15.288 4.866 6.171 1.00 0.68 C ATOM 1268 CD LYS A 90 -15.989 3.543 6.447 1.00 0.78 C ATOM 1269 CE LYS A 90 -16.012 3.204 7.932 1.00 1.07 C ATOM 1270 NZ LYS A 90 -16.791 4.190 8.723 1.00 1.47 N ATOM 0 H LYS A 90 -14.549 7.471 6.052 1.00 0.38 H new ATOM 0 HA LYS A 90 -12.134 6.069 6.990 1.00 0.35 H new ATOM 0 HB2 LYS A 90 -13.402 3.969 6.619 1.00 0.44 H new ATOM 0 HB3 LYS A 90 -14.045 4.972 7.904 1.00 0.44 H new ATOM 0 HG2 LYS A 90 -15.897 5.688 6.546 1.00 0.68 H new ATOM 0 HG3 LYS A 90 -15.186 5.009 5.095 1.00 0.68 H new ATOM 0 HD2 LYS A 90 -17.011 3.590 6.071 1.00 0.78 H new ATOM 0 HD3 LYS A 90 -15.484 2.745 5.902 1.00 0.78 H new ATOM 0 HE2 LYS A 90 -16.441 2.211 8.069 1.00 1.07 H new ATOM 0 HE3 LYS A 90 -14.990 3.165 8.309 1.00 1.07 H new ATOM 0 HZ1 LYS A 90 -16.778 3.918 9.727 1.00 1.47 H new ATOM 0 HZ2 LYS A 90 -16.368 5.134 8.615 1.00 1.47 H new ATOM 0 HZ3 LYS A 90 -17.773 4.210 8.382 1.00 1.47 H new ATOM 1284 N VAL A 91 -12.587 6.916 4.108 1.00 0.27 N ATOM 1285 CA VAL A 91 -12.391 6.758 2.665 1.00 0.25 C ATOM 1286 C VAL A 91 -11.035 7.301 2.192 1.00 0.22 C ATOM 1287 O VAL A 91 -10.671 8.438 2.484 1.00 0.31 O ATOM 1288 CB VAL A 91 -13.504 7.471 1.871 1.00 0.29 C ATOM 1289 CG1 VAL A 91 -13.797 6.731 0.574 1.00 0.35 C ATOM 1290 CG2 VAL A 91 -14.765 7.620 2.708 1.00 0.39 C ATOM 0 H VAL A 91 -12.725 7.877 4.420 1.00 0.27 H new ATOM 0 HA VAL A 91 -12.423 5.685 2.477 1.00 0.25 H new ATOM 0 HB VAL A 91 -13.151 8.471 1.621 1.00 0.29 H new ATOM 0 HG11 VAL A 91 -14.585 7.250 0.029 1.00 0.35 H new ATOM 0 HG12 VAL A 91 -12.895 6.697 -0.037 1.00 0.35 H new ATOM 0 HG13 VAL A 91 -14.121 5.715 0.800 1.00 0.35 H new ATOM 0 HG21 VAL A 91 -15.533 8.126 2.123 1.00 0.39 H new ATOM 0 HG22 VAL A 91 -15.125 6.634 3.003 1.00 0.39 H new ATOM 0 HG23 VAL A 91 -14.543 8.207 3.599 1.00 0.39 H new ATOM 1300 N LEU A 92 -10.302 6.475 1.450 1.00 0.20 N ATOM 1301 CA LEU A 92 -9.033 6.873 0.826 1.00 0.17 C ATOM 1302 C LEU A 92 -9.149 6.786 -0.692 1.00 0.17 C ATOM 1303 O LEU A 92 -9.953 6.016 -1.202 1.00 0.19 O ATOM 1304 CB LEU A 92 -7.882 5.978 1.295 1.00 0.17 C ATOM 1305 CG LEU A 92 -7.051 6.500 2.471 1.00 0.18 C ATOM 1306 CD1 LEU A 92 -7.929 6.823 3.663 1.00 0.22 C ATOM 1307 CD2 LEU A 92 -5.993 5.479 2.857 1.00 0.19 C ATOM 0 H LEU A 92 -10.567 5.508 1.261 1.00 0.20 H new ATOM 0 HA LEU A 92 -8.821 7.900 1.124 1.00 0.17 H new ATOM 0 HB2 LEU A 92 -8.294 5.008 1.572 1.00 0.17 H new ATOM 0 HB3 LEU A 92 -7.213 5.811 0.451 1.00 0.17 H new ATOM 0 HG LEU A 92 -6.560 7.421 2.157 1.00 0.18 H new ATOM 0 HD11 LEU A 92 -7.310 7.191 4.481 1.00 0.22 H new ATOM 0 HD12 LEU A 92 -8.654 7.587 3.384 1.00 0.22 H new ATOM 0 HD13 LEU A 92 -8.455 5.923 3.982 1.00 0.22 H new ATOM 0 HD21 LEU A 92 -5.408 5.860 3.694 1.00 0.19 H new ATOM 0 HD22 LEU A 92 -6.476 4.546 3.147 1.00 0.19 H new ATOM 0 HD23 LEU A 92 -5.335 5.298 2.007 1.00 0.19 H new ATOM 1319 N VAL A 93 -8.383 7.596 -1.412 1.00 0.17 N ATOM 1320 CA VAL A 93 -8.406 7.566 -2.873 1.00 0.18 C ATOM 1321 C VAL A 93 -6.987 7.635 -3.456 1.00 0.17 C ATOM 1322 O VAL A 93 -6.315 8.664 -3.399 1.00 0.19 O ATOM 1323 CB VAL A 93 -9.295 8.704 -3.439 1.00 0.20 C ATOM 1324 CG1 VAL A 93 -9.008 10.024 -2.744 1.00 0.20 C ATOM 1325 CG2 VAL A 93 -9.121 8.844 -4.943 1.00 0.24 C ATOM 0 H VAL A 93 -7.740 8.280 -1.012 1.00 0.17 H new ATOM 0 HA VAL A 93 -8.842 6.615 -3.177 1.00 0.18 H new ATOM 0 HB VAL A 93 -10.333 8.435 -3.242 1.00 0.20 H new ATOM 0 HG11 VAL A 93 -9.647 10.802 -3.163 1.00 0.20 H new ATOM 0 HG12 VAL A 93 -9.209 9.925 -1.677 1.00 0.20 H new ATOM 0 HG13 VAL A 93 -7.962 10.294 -2.893 1.00 0.20 H new ATOM 0 HG21 VAL A 93 -9.757 9.650 -5.309 1.00 0.24 H new ATOM 0 HG22 VAL A 93 -8.080 9.073 -5.169 1.00 0.24 H new ATOM 0 HG23 VAL A 93 -9.401 7.910 -5.430 1.00 0.24 H new ATOM 1335 N ILE A 94 -6.542 6.523 -4.024 1.00 0.16 N ATOM 1336 CA ILE A 94 -5.188 6.407 -4.560 1.00 0.15 C ATOM 1337 C ILE A 94 -5.230 6.022 -6.035 1.00 0.15 C ATOM 1338 O ILE A 94 -5.936 5.097 -6.412 1.00 0.17 O ATOM 1339 CB ILE A 94 -4.362 5.346 -3.784 1.00 0.16 C ATOM 1340 CG1 ILE A 94 -3.924 5.870 -2.409 1.00 0.17 C ATOM 1341 CG2 ILE A 94 -3.146 4.900 -4.589 1.00 0.16 C ATOM 1342 CD1 ILE A 94 -5.038 5.958 -1.390 1.00 0.18 C ATOM 0 H ILE A 94 -7.104 5.678 -4.127 1.00 0.16 H new ATOM 0 HA ILE A 94 -4.709 7.379 -4.446 1.00 0.15 H new ATOM 0 HB ILE A 94 -5.010 4.484 -3.628 1.00 0.16 H new ATOM 0 HG12 ILE A 94 -3.141 5.220 -2.018 1.00 0.17 H new ATOM 0 HG13 ILE A 94 -3.484 6.859 -2.534 1.00 0.17 H new ATOM 0 HG21 ILE A 94 -2.586 4.157 -4.021 1.00 0.16 H new ATOM 0 HG22 ILE A 94 -3.474 4.464 -5.532 1.00 0.16 H new ATOM 0 HG23 ILE A 94 -2.507 5.760 -4.790 1.00 0.16 H new ATOM 0 HD11 ILE A 94 -4.641 6.337 -0.448 1.00 0.18 H new ATOM 0 HD12 ILE A 94 -5.812 6.633 -1.755 1.00 0.18 H new ATOM 0 HD13 ILE A 94 -5.465 4.968 -1.231 1.00 0.18 H new ATOM 1354 N THR A 95 -4.467 6.716 -6.861 1.00 0.14 N ATOM 1355 CA THR A 95 -4.438 6.430 -8.286 1.00 0.13 C ATOM 1356 C THR A 95 -3.021 6.080 -8.739 1.00 0.11 C ATOM 1357 O THR A 95 -2.037 6.624 -8.229 1.00 0.12 O ATOM 1358 CB THR A 95 -4.961 7.629 -9.102 1.00 0.16 C ATOM 1359 OG1 THR A 95 -6.230 8.056 -8.583 1.00 0.20 O ATOM 1360 CG2 THR A 95 -5.117 7.268 -10.574 1.00 0.16 C ATOM 0 H THR A 95 -3.859 7.482 -6.570 1.00 0.14 H new ATOM 0 HA THR A 95 -5.090 5.575 -8.463 1.00 0.13 H new ATOM 0 HB THR A 95 -4.233 8.436 -9.017 1.00 0.16 H new ATOM 0 HG1 THR A 95 -6.934 7.455 -8.905 1.00 0.20 H new ATOM 0 HG21 THR A 95 -5.487 8.133 -11.124 1.00 0.16 H new ATOM 0 HG22 THR A 95 -4.151 6.967 -10.979 1.00 0.16 H new ATOM 0 HG23 THR A 95 -5.825 6.445 -10.674 1.00 0.16 H new ATOM 1368 N VAL A 96 -2.923 5.167 -9.695 1.00 0.11 N ATOM 1369 CA VAL A 96 -1.647 4.754 -10.251 1.00 0.10 C ATOM 1370 C VAL A 96 -1.597 5.048 -11.751 1.00 0.11 C ATOM 1371 O VAL A 96 -2.598 4.873 -12.448 1.00 0.14 O ATOM 1372 CB VAL A 96 -1.407 3.252 -9.996 1.00 0.12 C ATOM 1373 CG1 VAL A 96 -2.656 2.450 -10.311 1.00 0.14 C ATOM 1374 CG2 VAL A 96 -0.236 2.740 -10.811 1.00 0.14 C ATOM 0 H VAL A 96 -3.727 4.693 -10.106 1.00 0.11 H new ATOM 0 HA VAL A 96 -0.858 5.322 -9.757 1.00 0.10 H new ATOM 0 HB VAL A 96 -1.168 3.127 -8.940 1.00 0.12 H new ATOM 0 HG11 VAL A 96 -2.466 1.393 -10.125 1.00 0.14 H new ATOM 0 HG12 VAL A 96 -3.475 2.789 -9.677 1.00 0.14 H new ATOM 0 HG13 VAL A 96 -2.925 2.591 -11.358 1.00 0.14 H new ATOM 0 HG21 VAL A 96 -0.090 1.678 -10.611 1.00 0.14 H new ATOM 0 HG22 VAL A 96 -0.440 2.885 -11.872 1.00 0.14 H new ATOM 0 HG23 VAL A 96 0.665 3.288 -10.537 1.00 0.14 H new ATOM 1384 N ASN A 97 -0.446 5.499 -12.250 1.00 0.14 N ATOM 1385 CA ASN A 97 -0.324 5.816 -13.667 1.00 0.23 C ATOM 1386 C ASN A 97 0.928 5.203 -14.277 1.00 0.34 C ATOM 1387 O ASN A 97 2.020 5.762 -14.183 1.00 0.81 O ATOM 1388 CB ASN A 97 -0.318 7.321 -13.901 1.00 0.44 C ATOM 1389 CG ASN A 97 -0.421 7.678 -15.373 1.00 1.14 C ATOM 1390 OD1 ASN A 97 0.586 7.821 -16.066 1.00 1.45 O ATOM 1391 ND2 ASN A 97 -1.642 7.826 -15.860 1.00 1.87 N ATOM 0 H ASN A 97 0.401 5.650 -11.702 1.00 0.14 H new ATOM 0 HA ASN A 97 -1.196 5.384 -14.158 1.00 0.23 H new ATOM 0 HB2 ASN A 97 -1.150 7.773 -13.361 1.00 0.44 H new ATOM 0 HB3 ASN A 97 0.598 7.746 -13.490 1.00 0.44 H new ATOM 0 HD21 ASN A 97 -1.773 8.067 -16.842 1.00 1.87 H new ATOM 0 HD22 ASN A 97 -2.452 7.699 -15.253 1.00 1.87 H new ATOM 1398 N ASN A 98 0.722 4.046 -14.886 1.00 0.42 N ATOM 1399 CA ASN A 98 1.712 3.333 -15.708 1.00 0.43 C ATOM 1400 C ASN A 98 1.219 1.897 -15.908 1.00 0.38 C ATOM 1401 O ASN A 98 1.089 1.446 -17.047 1.00 0.43 O ATOM 1402 CB ASN A 98 3.139 3.369 -15.134 1.00 0.51 C ATOM 1403 CG ASN A 98 4.135 2.630 -16.013 1.00 0.58 C ATOM 1404 OD1 ASN A 98 4.722 3.208 -16.927 1.00 0.75 O ATOM 1405 ND2 ASN A 98 4.340 1.351 -15.741 1.00 0.57 N ATOM 0 H ASN A 98 -0.168 3.552 -14.825 1.00 0.42 H new ATOM 0 HA ASN A 98 1.793 3.847 -16.666 1.00 0.43 H new ATOM 0 HB2 ASN A 98 3.457 4.406 -15.022 1.00 0.51 H new ATOM 0 HB3 ASN A 98 3.139 2.926 -14.138 1.00 0.51 H new ATOM 0 HD21 ASN A 98 5.003 0.811 -16.297 1.00 0.57 H new ATOM 0 HD22 ASN A 98 3.835 0.905 -14.975 1.00 0.57 H new ATOM 1412 N PRO A 99 0.930 1.146 -14.810 1.00 0.35 N ATOM 1413 CA PRO A 99 0.011 0.009 -14.873 1.00 0.34 C ATOM 1414 C PRO A 99 -1.363 0.490 -15.314 1.00 0.30 C ATOM 1415 O PRO A 99 -1.587 1.700 -15.414 1.00 0.29 O ATOM 1416 CB PRO A 99 -0.048 -0.519 -13.438 1.00 0.36 C ATOM 1417 CG PRO A 99 1.194 -0.021 -12.796 1.00 0.40 C ATOM 1418 CD PRO A 99 1.500 1.292 -13.455 1.00 0.38 C ATOM 0 HA PRO A 99 0.332 -0.756 -15.580 1.00 0.34 H new ATOM 0 HB2 PRO A 99 -0.934 -0.154 -12.919 1.00 0.36 H new ATOM 0 HB3 PRO A 99 -0.093 -1.608 -13.419 1.00 0.36 H new ATOM 0 HG2 PRO A 99 1.055 0.104 -11.722 1.00 0.40 H new ATOM 0 HG3 PRO A 99 2.014 -0.727 -12.932 1.00 0.40 H new ATOM 0 HD2 PRO A 99 1.047 2.125 -12.918 1.00 0.38 H new ATOM 0 HD3 PRO A 99 2.573 1.482 -13.490 1.00 0.38 H new ATOM 1426 N GLN A 100 -2.278 -0.432 -15.566 1.00 0.34 N ATOM 1427 CA GLN A 100 -3.597 -0.061 -16.061 1.00 0.36 C ATOM 1428 C GLN A 100 -4.287 0.852 -15.054 1.00 0.32 C ATOM 1429 O GLN A 100 -4.566 0.444 -13.923 1.00 0.31 O ATOM 1430 CB GLN A 100 -4.449 -1.306 -16.303 1.00 0.46 C ATOM 1431 CG GLN A 100 -3.847 -2.269 -17.311 1.00 1.17 C ATOM 1432 CD GLN A 100 -4.735 -3.471 -17.554 1.00 1.25 C ATOM 1433 OE1 GLN A 100 -5.960 -3.381 -17.462 1.00 1.54 O ATOM 1434 NE2 GLN A 100 -4.126 -4.604 -17.864 1.00 1.87 N ATOM 0 H GLN A 100 -2.136 -1.434 -15.438 1.00 0.34 H new ATOM 0 HA GLN A 100 -3.479 0.468 -17.007 1.00 0.36 H new ATOM 0 HB2 GLN A 100 -4.593 -1.827 -15.356 1.00 0.46 H new ATOM 0 HB3 GLN A 100 -5.435 -0.999 -16.651 1.00 0.46 H new ATOM 0 HG2 GLN A 100 -3.678 -1.748 -18.253 1.00 1.17 H new ATOM 0 HG3 GLN A 100 -2.874 -2.605 -16.954 1.00 1.17 H new ATOM 0 HE21 GLN A 100 -3.109 -4.635 -17.930 1.00 1.87 H new ATOM 0 HE22 GLN A 100 -4.674 -5.447 -18.037 1.00 1.87 H new ATOM 1443 N PRO A 101 -4.537 2.113 -15.463 1.00 0.36 N ATOM 1444 CA PRO A 101 -5.059 3.171 -14.588 1.00 0.35 C ATOM 1445 C PRO A 101 -6.197 2.706 -13.691 1.00 0.32 C ATOM 1446 O PRO A 101 -7.276 2.344 -14.165 1.00 0.39 O ATOM 1447 CB PRO A 101 -5.549 4.223 -15.579 1.00 0.45 C ATOM 1448 CG PRO A 101 -4.647 4.076 -16.750 1.00 0.57 C ATOM 1449 CD PRO A 101 -4.320 2.610 -16.841 1.00 0.46 C ATOM 0 HA PRO A 101 -4.301 3.529 -13.891 1.00 0.35 H new ATOM 0 HB2 PRO A 101 -6.590 4.054 -15.855 1.00 0.45 H new ATOM 0 HB3 PRO A 101 -5.490 5.226 -15.156 1.00 0.45 H new ATOM 0 HG2 PRO A 101 -5.132 4.425 -17.662 1.00 0.57 H new ATOM 0 HG3 PRO A 101 -3.742 4.670 -16.622 1.00 0.57 H new ATOM 0 HD2 PRO A 101 -4.965 2.100 -17.556 1.00 0.46 H new ATOM 0 HD3 PRO A 101 -3.292 2.449 -17.167 1.00 0.46 H new ATOM 1457 N THR A 102 -5.937 2.713 -12.394 1.00 0.26 N ATOM 1458 CA THR A 102 -6.912 2.290 -11.407 1.00 0.25 C ATOM 1459 C THR A 102 -6.824 3.187 -10.174 1.00 0.21 C ATOM 1460 O THR A 102 -5.739 3.649 -9.809 1.00 0.22 O ATOM 1461 CB THR A 102 -6.676 0.821 -10.994 1.00 0.27 C ATOM 1462 OG1 THR A 102 -6.601 -0.013 -12.160 1.00 0.33 O ATOM 1463 CG2 THR A 102 -7.791 0.318 -10.086 1.00 0.30 C ATOM 0 H THR A 102 -5.046 3.012 -11.998 1.00 0.26 H new ATOM 0 HA THR A 102 -7.904 2.371 -11.850 1.00 0.25 H new ATOM 0 HB THR A 102 -5.734 0.776 -10.447 1.00 0.27 H new ATOM 0 HG1 THR A 102 -5.758 0.156 -12.630 1.00 0.33 H new ATOM 0 HG21 THR A 102 -7.597 -0.719 -9.812 1.00 0.30 H new ATOM 0 HG22 THR A 102 -7.831 0.930 -9.185 1.00 0.30 H new ATOM 0 HG23 THR A 102 -8.744 0.382 -10.611 1.00 0.30 H new ATOM 1471 N THR A 103 -7.962 3.446 -9.552 1.00 0.21 N ATOM 1472 CA THR A 103 -8.006 4.236 -8.338 1.00 0.19 C ATOM 1473 C THR A 103 -8.545 3.396 -7.187 1.00 0.20 C ATOM 1474 O THR A 103 -9.700 2.973 -7.196 1.00 0.28 O ATOM 1475 CB THR A 103 -8.870 5.497 -8.520 1.00 0.20 C ATOM 1476 OG1 THR A 103 -8.321 6.318 -9.559 1.00 0.22 O ATOM 1477 CG2 THR A 103 -8.956 6.298 -7.231 1.00 0.22 C ATOM 0 H THR A 103 -8.873 3.117 -9.873 1.00 0.21 H new ATOM 0 HA THR A 103 -6.989 4.555 -8.108 1.00 0.19 H new ATOM 0 HB THR A 103 -9.876 5.179 -8.794 1.00 0.20 H new ATOM 0 HG1 THR A 103 -8.876 7.118 -9.671 1.00 0.22 H new ATOM 0 HG21 THR A 103 -9.573 7.182 -7.392 1.00 0.22 H new ATOM 0 HG22 THR A 103 -9.401 5.683 -6.449 1.00 0.22 H new ATOM 0 HG23 THR A 103 -7.956 6.605 -6.926 1.00 0.22 H new ATOM 1485 N TYR A 104 -7.699 3.156 -6.206 1.00 0.17 N ATOM 1486 CA TYR A 104 -8.023 2.282 -5.098 1.00 0.18 C ATOM 1487 C TYR A 104 -8.539 3.081 -3.917 1.00 0.19 C ATOM 1488 O TYR A 104 -7.921 4.063 -3.505 1.00 0.20 O ATOM 1489 CB TYR A 104 -6.785 1.490 -4.683 1.00 0.19 C ATOM 1490 CG TYR A 104 -6.130 0.763 -5.832 1.00 0.20 C ATOM 1491 CD1 TYR A 104 -6.605 -0.470 -6.253 1.00 0.22 C ATOM 1492 CD2 TYR A 104 -5.043 1.315 -6.498 1.00 0.23 C ATOM 1493 CE1 TYR A 104 -6.012 -1.135 -7.311 1.00 0.26 C ATOM 1494 CE2 TYR A 104 -4.446 0.657 -7.555 1.00 0.25 C ATOM 1495 CZ TYR A 104 -4.933 -0.566 -7.957 1.00 0.26 C ATOM 1496 OH TYR A 104 -4.342 -1.224 -9.011 1.00 0.30 O ATOM 0 H TYR A 104 -6.765 3.563 -6.155 1.00 0.17 H new ATOM 0 HA TYR A 104 -8.804 1.593 -5.419 1.00 0.18 H new ATOM 0 HB2 TYR A 104 -6.062 2.169 -4.232 1.00 0.19 H new ATOM 0 HB3 TYR A 104 -7.064 0.767 -3.916 1.00 0.19 H new ATOM 0 HD1 TYR A 104 -7.449 -0.917 -5.748 1.00 0.22 H new ATOM 0 HD2 TYR A 104 -4.659 2.274 -6.184 1.00 0.23 H new ATOM 0 HE1 TYR A 104 -6.391 -2.095 -7.630 1.00 0.26 H new ATOM 0 HE2 TYR A 104 -3.602 1.099 -8.063 1.00 0.25 H new ATOM 0 HH TYR A 104 -3.597 -0.688 -9.355 1.00 0.30 H new ATOM 1506 N ASN A 105 -9.680 2.674 -3.386 1.00 0.18 N ATOM 1507 CA ASN A 105 -10.212 3.302 -2.190 1.00 0.18 C ATOM 1508 C ASN A 105 -9.974 2.397 -1.001 1.00 0.17 C ATOM 1509 O ASN A 105 -10.648 1.377 -0.850 1.00 0.16 O ATOM 1510 CB ASN A 105 -11.717 3.601 -2.297 1.00 0.20 C ATOM 1511 CG ASN A 105 -12.079 4.605 -3.380 1.00 0.24 C ATOM 1512 OD1 ASN A 105 -12.988 5.417 -3.203 1.00 0.46 O ATOM 1513 ND2 ASN A 105 -11.408 4.536 -4.518 1.00 0.26 N ATOM 0 H ASN A 105 -10.252 1.917 -3.761 1.00 0.18 H new ATOM 0 HA ASN A 105 -9.695 4.254 -2.068 1.00 0.18 H new ATOM 0 HB2 ASN A 105 -12.248 2.669 -2.490 1.00 0.20 H new ATOM 0 HB3 ASN A 105 -12.070 3.977 -1.337 1.00 0.20 H new ATOM 0 HD21 ASN A 105 -11.638 5.168 -5.285 1.00 0.26 H new ATOM 0 HD22 ASN A 105 -10.661 3.850 -4.629 1.00 0.26 H new ATOM 1520 N PHE A 106 -9.016 2.757 -0.165 1.00 0.18 N ATOM 1521 CA PHE A 106 -8.738 1.975 1.026 1.00 0.17 C ATOM 1522 C PHE A 106 -9.694 2.400 2.130 1.00 0.19 C ATOM 1523 O PHE A 106 -9.615 3.516 2.647 1.00 0.23 O ATOM 1524 CB PHE A 106 -7.286 2.163 1.490 1.00 0.19 C ATOM 1525 CG PHE A 106 -6.243 1.781 0.469 1.00 0.18 C ATOM 1526 CD1 PHE A 106 -6.060 0.454 0.123 1.00 0.21 C ATOM 1527 CD2 PHE A 106 -5.454 2.741 -0.147 1.00 0.31 C ATOM 1528 CE1 PHE A 106 -5.113 0.091 -0.816 1.00 0.21 C ATOM 1529 CE2 PHE A 106 -4.505 2.383 -1.087 1.00 0.34 C ATOM 1530 CZ PHE A 106 -4.305 1.093 -1.406 1.00 0.23 C ATOM 0 H PHE A 106 -8.423 3.578 -0.287 1.00 0.18 H new ATOM 0 HA PHE A 106 -8.879 0.919 0.793 1.00 0.17 H new ATOM 0 HB2 PHE A 106 -7.139 3.207 1.766 1.00 0.19 H new ATOM 0 HB3 PHE A 106 -7.127 1.570 2.391 1.00 0.19 H new ATOM 0 HD1 PHE A 106 -6.665 -0.308 0.593 1.00 0.21 H new ATOM 0 HD2 PHE A 106 -5.582 3.782 0.111 1.00 0.31 H new ATOM 0 HE1 PHE A 106 -4.991 -0.945 -1.096 1.00 0.21 H new ATOM 0 HE2 PHE A 106 -3.917 3.149 -1.571 1.00 0.34 H new ATOM 0 HZ PHE A 106 -3.531 0.822 -2.109 1.00 0.23 H new ATOM 1540 N THR A 107 -10.610 1.512 2.467 1.00 0.17 N ATOM 1541 CA THR A 107 -11.632 1.797 3.453 1.00 0.21 C ATOM 1542 C THR A 107 -11.548 0.808 4.605 1.00 0.20 C ATOM 1543 O THR A 107 -11.403 -0.389 4.388 1.00 0.22 O ATOM 1544 CB THR A 107 -13.027 1.721 2.805 1.00 0.26 C ATOM 1545 OG1 THR A 107 -13.058 2.556 1.642 1.00 0.39 O ATOM 1546 CG2 THR A 107 -14.113 2.157 3.775 1.00 0.35 C ATOM 0 H THR A 107 -10.666 0.576 2.066 1.00 0.17 H new ATOM 0 HA THR A 107 -11.469 2.803 3.839 1.00 0.21 H new ATOM 0 HB THR A 107 -13.218 0.685 2.527 1.00 0.26 H new ATOM 0 HG1 THR A 107 -13.630 3.333 1.812 1.00 0.39 H new ATOM 0 HG21 THR A 107 -15.085 2.092 3.286 1.00 0.35 H new ATOM 0 HG22 THR A 107 -14.102 1.507 4.650 1.00 0.35 H new ATOM 0 HG23 THR A 107 -13.932 3.186 4.086 1.00 0.35 H new ATOM 1554 N PHE A 108 -11.613 1.301 5.825 1.00 0.28 N ATOM 1555 CA PHE A 108 -11.587 0.425 6.979 1.00 0.26 C ATOM 1556 C PHE A 108 -12.542 0.942 8.038 1.00 0.27 C ATOM 1557 O PHE A 108 -13.046 2.059 7.922 1.00 0.33 O ATOM 1558 CB PHE A 108 -10.170 0.317 7.553 1.00 0.29 C ATOM 1559 CG PHE A 108 -9.935 -0.956 8.315 1.00 0.29 C ATOM 1560 CD1 PHE A 108 -9.434 -0.921 9.606 1.00 0.34 C ATOM 1561 CD2 PHE A 108 -10.207 -2.184 7.742 1.00 0.31 C ATOM 1562 CE1 PHE A 108 -9.208 -2.089 10.307 1.00 0.39 C ATOM 1563 CE2 PHE A 108 -9.987 -3.356 8.439 1.00 0.36 C ATOM 1564 CZ PHE A 108 -9.516 -3.311 9.726 1.00 0.38 C ATOM 0 H PHE A 108 -11.684 2.295 6.043 1.00 0.28 H new ATOM 0 HA PHE A 108 -11.902 -0.570 6.665 1.00 0.26 H new ATOM 0 HB2 PHE A 108 -9.449 0.383 6.738 1.00 0.29 H new ATOM 0 HB3 PHE A 108 -9.986 1.166 8.211 1.00 0.29 H new ATOM 0 HD1 PHE A 108 -9.218 0.030 10.069 1.00 0.34 H new ATOM 0 HD2 PHE A 108 -10.597 -2.228 6.736 1.00 0.31 H new ATOM 0 HE1 PHE A 108 -8.793 -2.052 11.303 1.00 0.39 H new ATOM 0 HE2 PHE A 108 -10.186 -4.308 7.970 1.00 0.36 H new ATOM 0 HZ PHE A 108 -9.385 -4.225 10.286 1.00 0.38 H new ATOM 1574 N LYS A 109 -12.777 0.146 9.063 1.00 0.25 N ATOM 1575 CA LYS A 109 -13.611 0.562 10.177 1.00 0.26 C ATOM 1576 C LYS A 109 -12.907 1.687 10.904 1.00 0.27 C ATOM 1577 O LYS A 109 -13.467 2.752 11.178 1.00 0.33 O ATOM 1578 CB LYS A 109 -13.792 -0.616 11.139 1.00 0.30 C ATOM 1579 CG LYS A 109 -14.964 -0.479 12.102 1.00 0.68 C ATOM 1580 CD LYS A 109 -14.659 0.475 13.244 1.00 0.77 C ATOM 1581 CE LYS A 109 -15.834 0.592 14.196 1.00 1.16 C ATOM 1582 NZ LYS A 109 -15.528 1.469 15.355 1.00 1.94 N ATOM 0 H LYS A 109 -12.400 -0.798 9.149 1.00 0.25 H new ATOM 0 HA LYS A 109 -14.585 0.892 9.816 1.00 0.26 H new ATOM 0 HB2 LYS A 109 -13.924 -1.527 10.555 1.00 0.30 H new ATOM 0 HB3 LYS A 109 -12.877 -0.738 11.718 1.00 0.30 H new ATOM 0 HG2 LYS A 109 -15.839 -0.124 11.558 1.00 0.68 H new ATOM 0 HG3 LYS A 109 -15.216 -1.459 12.507 1.00 0.68 H new ATOM 0 HD2 LYS A 109 -13.782 0.125 13.788 1.00 0.77 H new ATOM 0 HD3 LYS A 109 -14.414 1.459 12.843 1.00 0.77 H new ATOM 0 HE2 LYS A 109 -16.696 0.988 13.660 1.00 1.16 H new ATOM 0 HE3 LYS A 109 -16.110 -0.400 14.555 1.00 1.16 H new ATOM 0 HZ1 LYS A 109 -16.358 1.521 15.980 1.00 1.94 H new ATOM 0 HZ2 LYS A 109 -14.721 1.078 15.883 1.00 1.94 H new ATOM 0 HZ3 LYS A 109 -15.290 2.423 15.015 1.00 1.94 H new ATOM 1596 N SER A 110 -11.653 1.413 11.170 1.00 0.28 N ATOM 1597 CA SER A 110 -10.812 2.245 11.982 1.00 0.32 C ATOM 1598 C SER A 110 -10.385 3.505 11.231 1.00 0.41 C ATOM 1599 O SER A 110 -9.704 3.431 10.203 1.00 0.50 O ATOM 1600 CB SER A 110 -9.601 1.414 12.343 1.00 0.36 C ATOM 1601 OG SER A 110 -9.984 0.086 12.656 1.00 1.03 O ATOM 0 H SER A 110 -11.180 0.581 10.816 1.00 0.28 H new ATOM 0 HA SER A 110 -11.349 2.576 12.871 1.00 0.32 H new ATOM 0 HB2 SER A 110 -8.896 1.409 11.512 1.00 0.36 H new ATOM 0 HB3 SER A 110 -9.087 1.861 13.194 1.00 0.36 H new ATOM 0 HG SER A 110 -9.816 -0.493 11.884 1.00 1.03 H new ATOM 1607 N PRO A 111 -10.783 4.683 11.736 1.00 0.48 N ATOM 1608 CA PRO A 111 -10.414 5.963 11.135 1.00 0.59 C ATOM 1609 C PRO A 111 -8.900 6.181 11.140 1.00 0.67 C ATOM 1610 O PRO A 111 -8.336 6.680 10.173 1.00 1.09 O ATOM 1611 CB PRO A 111 -11.116 7.008 12.015 1.00 0.73 C ATOM 1612 CG PRO A 111 -12.161 6.255 12.766 1.00 0.77 C ATOM 1613 CD PRO A 111 -11.637 4.857 12.924 1.00 0.56 C ATOM 0 HA PRO A 111 -10.711 6.019 10.088 1.00 0.59 H new ATOM 0 HB2 PRO A 111 -10.411 7.486 12.695 1.00 0.73 H new ATOM 0 HB3 PRO A 111 -11.560 7.798 11.409 1.00 0.73 H new ATOM 0 HG2 PRO A 111 -12.348 6.713 13.737 1.00 0.77 H new ATOM 0 HG3 PRO A 111 -13.107 6.257 12.225 1.00 0.77 H new ATOM 0 HD2 PRO A 111 -11.070 4.741 13.848 1.00 0.56 H new ATOM 0 HD3 PRO A 111 -12.444 4.125 12.951 1.00 0.56 H new ATOM 1621 N GLY A 112 -8.243 5.769 12.210 1.00 0.44 N ATOM 1622 CA GLY A 112 -6.810 5.964 12.319 1.00 0.49 C ATOM 1623 C GLY A 112 -6.015 4.996 11.461 1.00 0.46 C ATOM 1624 O GLY A 112 -4.910 5.315 11.024 1.00 0.63 O ATOM 0 H GLY A 112 -8.674 5.302 13.008 1.00 0.44 H new ATOM 0 HA2 GLY A 112 -6.564 6.985 12.028 1.00 0.49 H new ATOM 0 HA3 GLY A 112 -6.511 5.848 13.361 1.00 0.49 H new ATOM 1628 N GLU A 113 -6.586 3.827 11.195 1.00 0.32 N ATOM 1629 CA GLU A 113 -5.874 2.769 10.483 1.00 0.30 C ATOM 1630 C GLU A 113 -5.520 3.211 9.066 1.00 0.31 C ATOM 1631 O GLU A 113 -4.365 3.127 8.639 1.00 0.34 O ATOM 1632 CB GLU A 113 -6.743 1.507 10.426 1.00 0.28 C ATOM 1633 CG GLU A 113 -6.024 0.281 9.891 1.00 0.32 C ATOM 1634 CD GLU A 113 -4.803 -0.083 10.711 1.00 0.70 C ATOM 1635 OE1 GLU A 113 -4.909 -0.972 11.578 1.00 1.14 O ATOM 1636 OE2 GLU A 113 -3.730 0.521 10.490 1.00 0.76 O ATOM 0 H GLU A 113 -7.541 3.586 11.461 1.00 0.32 H new ATOM 0 HA GLU A 113 -4.950 2.554 11.020 1.00 0.30 H new ATOM 0 HB2 GLU A 113 -7.114 1.289 11.428 1.00 0.28 H new ATOM 0 HB3 GLU A 113 -7.613 1.706 9.800 1.00 0.28 H new ATOM 0 HG2 GLU A 113 -6.713 -0.563 9.878 1.00 0.32 H new ATOM 0 HG3 GLU A 113 -5.723 0.462 8.859 1.00 0.32 H new ATOM 1643 N ARG A 114 -6.522 3.701 8.355 1.00 0.35 N ATOM 1644 CA ARG A 114 -6.358 4.084 6.959 1.00 0.43 C ATOM 1645 C ARG A 114 -5.515 5.351 6.845 1.00 0.38 C ATOM 1646 O ARG A 114 -4.712 5.491 5.929 1.00 0.40 O ATOM 1647 CB ARG A 114 -7.716 4.321 6.307 1.00 0.61 C ATOM 1648 CG ARG A 114 -8.787 3.334 6.728 1.00 0.87 C ATOM 1649 CD ARG A 114 -10.118 4.036 6.933 1.00 0.65 C ATOM 1650 NE ARG A 114 -9.975 5.246 7.747 1.00 1.24 N ATOM 1651 CZ ARG A 114 -9.828 6.483 7.244 1.00 2.02 C ATOM 1652 NH1 ARG A 114 -9.926 6.691 5.940 1.00 2.55 N ATOM 1653 NH2 ARG A 114 -9.583 7.510 8.042 1.00 2.83 N ATOM 0 H ARG A 114 -7.463 3.844 8.722 1.00 0.35 H new ATOM 0 HA ARG A 114 -5.850 3.269 6.445 1.00 0.43 H new ATOM 0 HB2 ARG A 114 -8.052 5.330 6.549 1.00 0.61 H new ATOM 0 HB3 ARG A 114 -7.600 4.274 5.224 1.00 0.61 H new ATOM 0 HG2 ARG A 114 -8.893 2.559 5.968 1.00 0.87 H new ATOM 0 HG3 ARG A 114 -8.487 2.837 7.651 1.00 0.87 H new ATOM 0 HD2 ARG A 114 -10.544 4.298 5.964 1.00 0.65 H new ATOM 0 HD3 ARG A 114 -10.818 3.354 7.415 1.00 0.65 H new ATOM 0 HE ARG A 114 -9.988 5.142 8.762 1.00 1.24 H new ATOM 0 HH11 ARG A 114 -10.114 5.910 5.312 1.00 2.55 H new ATOM 0 HH12 ARG A 114 -9.813 7.632 5.564 1.00 2.55 H new ATOM 0 HH21 ARG A 114 -9.504 7.366 9.049 1.00 2.83 H new ATOM 0 HH22 ARG A 114 -9.473 8.445 7.650 1.00 2.83 H new ATOM 1667 N GLU A 115 -5.711 6.276 7.782 1.00 0.42 N ATOM 1668 CA GLU A 115 -4.984 7.540 7.768 1.00 0.48 C ATOM 1669 C GLU A 115 -3.496 7.321 7.971 1.00 0.37 C ATOM 1670 O GLU A 115 -2.676 7.935 7.286 1.00 0.40 O ATOM 1671 CB GLU A 115 -5.525 8.491 8.831 1.00 0.64 C ATOM 1672 CG GLU A 115 -6.831 9.151 8.435 1.00 1.24 C ATOM 1673 CD GLU A 115 -7.357 10.083 9.501 1.00 1.38 C ATOM 1674 OE1 GLU A 115 -6.719 11.126 9.752 1.00 1.49 O ATOM 1675 OE2 GLU A 115 -8.421 9.788 10.079 1.00 1.59 O ATOM 0 H GLU A 115 -6.365 6.173 8.558 1.00 0.42 H new ATOM 0 HA GLU A 115 -5.133 7.992 6.788 1.00 0.48 H new ATOM 0 HB2 GLU A 115 -5.671 7.941 9.761 1.00 0.64 H new ATOM 0 HB3 GLU A 115 -4.782 9.263 9.031 1.00 0.64 H new ATOM 0 HG2 GLU A 115 -6.686 9.708 7.509 1.00 1.24 H new ATOM 0 HG3 GLU A 115 -7.575 8.382 8.231 1.00 1.24 H new ATOM 1682 N SER A 116 -3.149 6.442 8.902 1.00 0.33 N ATOM 1683 CA SER A 116 -1.754 6.094 9.126 1.00 0.36 C ATOM 1684 C SER A 116 -1.155 5.489 7.858 1.00 0.31 C ATOM 1685 O SER A 116 0.011 5.704 7.548 1.00 0.38 O ATOM 1686 CB SER A 116 -1.633 5.122 10.301 1.00 0.45 C ATOM 1687 OG SER A 116 -2.281 5.647 11.450 1.00 1.15 O ATOM 0 H SER A 116 -3.811 5.960 9.511 1.00 0.33 H new ATOM 0 HA SER A 116 -1.198 6.998 9.373 1.00 0.36 H new ATOM 0 HB2 SER A 116 -2.075 4.162 10.034 1.00 0.45 H new ATOM 0 HB3 SER A 116 -0.582 4.938 10.522 1.00 0.45 H new ATOM 0 HG SER A 116 -3.218 5.359 11.457 1.00 1.15 H new ATOM 1693 N TRP A 117 -1.979 4.764 7.113 1.00 0.25 N ATOM 1694 CA TRP A 117 -1.548 4.158 5.860 1.00 0.24 C ATOM 1695 C TRP A 117 -1.341 5.240 4.795 1.00 0.21 C ATOM 1696 O TRP A 117 -0.323 5.260 4.104 1.00 0.23 O ATOM 1697 CB TRP A 117 -2.607 3.158 5.389 1.00 0.26 C ATOM 1698 CG TRP A 117 -2.041 1.976 4.667 1.00 0.23 C ATOM 1699 CD1 TRP A 117 -1.755 0.759 5.209 1.00 0.23 C ATOM 1700 CD2 TRP A 117 -1.691 1.891 3.281 1.00 0.22 C ATOM 1701 NE1 TRP A 117 -1.253 -0.078 4.248 1.00 0.21 N ATOM 1702 CE2 TRP A 117 -1.200 0.592 3.058 1.00 0.21 C ATOM 1703 CE3 TRP A 117 -1.744 2.782 2.206 1.00 0.25 C ATOM 1704 CZ2 TRP A 117 -0.764 0.163 1.808 1.00 0.22 C ATOM 1705 CZ3 TRP A 117 -1.311 2.355 0.966 1.00 0.26 C ATOM 1706 CH2 TRP A 117 -0.826 1.056 0.777 1.00 0.24 C ATOM 0 H TRP A 117 -2.953 4.581 7.356 1.00 0.25 H new ATOM 0 HA TRP A 117 -0.603 3.638 6.018 1.00 0.24 H new ATOM 0 HB2 TRP A 117 -3.173 2.808 6.253 1.00 0.26 H new ATOM 0 HB3 TRP A 117 -3.311 3.670 4.733 1.00 0.26 H new ATOM 0 HD1 TRP A 117 -1.903 0.493 6.245 1.00 0.23 H new ATOM 0 HE1 TRP A 117 -0.965 -1.045 4.397 1.00 0.21 H new ATOM 0 HE3 TRP A 117 -2.117 3.786 2.342 1.00 0.25 H new ATOM 0 HZ2 TRP A 117 -0.390 -0.839 1.659 1.00 0.22 H new ATOM 0 HZ3 TRP A 117 -1.347 3.035 0.128 1.00 0.26 H new ATOM 0 HH2 TRP A 117 -0.494 0.753 -0.205 1.00 0.24 H new ATOM 1717 N GLN A 118 -2.318 6.141 4.704 1.00 0.20 N ATOM 1718 CA GLN A 118 -2.330 7.229 3.720 1.00 0.19 C ATOM 1719 C GLN A 118 -1.031 8.039 3.735 1.00 0.18 C ATOM 1720 O GLN A 118 -0.439 8.296 2.689 1.00 0.21 O ATOM 1721 CB GLN A 118 -3.534 8.142 4.001 1.00 0.19 C ATOM 1722 CG GLN A 118 -3.584 9.425 3.176 1.00 0.17 C ATOM 1723 CD GLN A 118 -3.707 9.196 1.683 1.00 0.33 C ATOM 1724 OE1 GLN A 118 -3.248 10.010 0.888 1.00 0.74 O ATOM 1725 NE2 GLN A 118 -4.331 8.098 1.286 1.00 0.19 N ATOM 0 H GLN A 118 -3.133 6.138 5.317 1.00 0.20 H new ATOM 0 HA GLN A 118 -2.414 6.790 2.726 1.00 0.19 H new ATOM 0 HB2 GLN A 118 -4.448 7.577 3.820 1.00 0.19 H new ATOM 0 HB3 GLN A 118 -3.528 8.409 5.058 1.00 0.19 H new ATOM 0 HG2 GLN A 118 -4.429 10.027 3.511 1.00 0.17 H new ATOM 0 HG3 GLN A 118 -2.682 10.005 3.371 1.00 0.17 H new ATOM 0 HE21 GLN A 118 -4.700 7.443 1.976 1.00 0.19 H new ATOM 0 HE22 GLN A 118 -4.443 7.907 0.290 1.00 0.19 H new ATOM 1734 N GLU A 119 -0.596 8.445 4.914 1.00 0.19 N ATOM 1735 CA GLU A 119 0.622 9.232 5.040 1.00 0.22 C ATOM 1736 C GLU A 119 1.868 8.369 4.841 1.00 0.20 C ATOM 1737 O GLU A 119 2.821 8.783 4.179 1.00 0.26 O ATOM 1738 CB GLU A 119 0.658 9.908 6.407 1.00 0.27 C ATOM 1739 CG GLU A 119 0.529 8.935 7.562 1.00 0.27 C ATOM 1740 CD GLU A 119 0.506 9.624 8.907 1.00 0.39 C ATOM 1741 OE1 GLU A 119 -0.522 10.250 9.238 1.00 0.47 O ATOM 1742 OE2 GLU A 119 1.514 9.540 9.639 1.00 0.47 O ATOM 0 H GLU A 119 -1.065 8.245 5.797 1.00 0.19 H new ATOM 0 HA GLU A 119 0.620 9.993 4.259 1.00 0.22 H new ATOM 0 HB2 GLU A 119 1.593 10.458 6.508 1.00 0.27 H new ATOM 0 HB3 GLU A 119 -0.149 10.638 6.465 1.00 0.27 H new ATOM 0 HG2 GLU A 119 -0.385 8.353 7.441 1.00 0.27 H new ATOM 0 HG3 GLU A 119 1.361 8.231 7.533 1.00 0.27 H new ATOM 1749 N GLN A 120 1.840 7.162 5.395 1.00 0.17 N ATOM 1750 CA GLN A 120 3.000 6.282 5.396 1.00 0.18 C ATOM 1751 C GLN A 120 3.377 5.820 4.000 1.00 0.17 C ATOM 1752 O GLN A 120 4.561 5.740 3.668 1.00 0.18 O ATOM 1753 CB GLN A 120 2.744 5.074 6.290 1.00 0.19 C ATOM 1754 CG GLN A 120 3.050 5.339 7.752 1.00 0.23 C ATOM 1755 CD GLN A 120 4.513 5.649 7.982 1.00 0.27 C ATOM 1756 OE1 GLN A 120 4.875 6.367 8.916 1.00 0.32 O ATOM 1757 NE2 GLN A 120 5.364 5.125 7.117 1.00 0.25 N ATOM 0 H GLN A 120 1.018 6.769 5.853 1.00 0.17 H new ATOM 0 HA GLN A 120 3.839 6.858 5.787 1.00 0.18 H new ATOM 0 HB2 GLN A 120 1.701 4.772 6.192 1.00 0.19 H new ATOM 0 HB3 GLN A 120 3.352 4.238 5.944 1.00 0.19 H new ATOM 0 HG2 GLN A 120 2.444 6.174 8.103 1.00 0.23 H new ATOM 0 HG3 GLN A 120 2.767 4.469 8.344 1.00 0.23 H new ATOM 0 HE21 GLN A 120 5.022 4.536 6.358 1.00 0.25 H new ATOM 0 HE22 GLN A 120 6.363 5.310 7.209 1.00 0.25 H new ATOM 1766 N ILE A 121 2.379 5.515 3.188 1.00 0.17 N ATOM 1767 CA ILE A 121 2.631 5.062 1.832 1.00 0.18 C ATOM 1768 C ILE A 121 3.336 6.150 1.031 1.00 0.21 C ATOM 1769 O ILE A 121 4.261 5.872 0.270 1.00 0.21 O ATOM 1770 CB ILE A 121 1.325 4.629 1.126 1.00 0.19 C ATOM 1771 CG1 ILE A 121 1.617 4.071 -0.270 1.00 0.19 C ATOM 1772 CG2 ILE A 121 0.338 5.784 1.037 1.00 0.22 C ATOM 1773 CD1 ILE A 121 2.456 2.814 -0.259 1.00 0.19 C ATOM 0 H ILE A 121 1.393 5.572 3.442 1.00 0.17 H new ATOM 0 HA ILE A 121 3.281 4.189 1.888 1.00 0.18 H new ATOM 0 HB ILE A 121 0.873 3.840 1.727 1.00 0.19 H new ATOM 0 HG12 ILE A 121 0.673 3.862 -0.773 1.00 0.19 H new ATOM 0 HG13 ILE A 121 2.129 4.834 -0.857 1.00 0.19 H new ATOM 0 HG21 ILE A 121 -0.570 5.449 0.536 1.00 0.22 H new ATOM 0 HG22 ILE A 121 0.092 6.130 2.041 1.00 0.22 H new ATOM 0 HG23 ILE A 121 0.784 6.601 0.471 1.00 0.22 H new ATOM 0 HD11 ILE A 121 2.621 2.478 -1.283 1.00 0.19 H new ATOM 0 HD12 ILE A 121 3.416 3.021 0.214 1.00 0.19 H new ATOM 0 HD13 ILE A 121 1.937 2.035 0.299 1.00 0.19 H new ATOM 1785 N GLN A 122 2.936 7.396 1.257 1.00 0.26 N ATOM 1786 CA GLN A 122 3.538 8.526 0.565 1.00 0.33 C ATOM 1787 C GLN A 122 4.990 8.689 0.987 1.00 0.27 C ATOM 1788 O GLN A 122 5.864 8.950 0.160 1.00 0.26 O ATOM 1789 CB GLN A 122 2.762 9.806 0.862 1.00 0.50 C ATOM 1790 CG GLN A 122 1.383 9.849 0.231 1.00 0.75 C ATOM 1791 CD GLN A 122 0.596 11.069 0.656 1.00 0.63 C ATOM 1792 OE1 GLN A 122 0.675 12.127 0.030 1.00 1.00 O ATOM 1793 NE2 GLN A 122 -0.172 10.929 1.721 1.00 0.39 N ATOM 0 H GLN A 122 2.198 7.648 1.914 1.00 0.26 H new ATOM 0 HA GLN A 122 3.501 8.334 -0.507 1.00 0.33 H new ATOM 0 HB2 GLN A 122 2.660 9.915 1.942 1.00 0.50 H new ATOM 0 HB3 GLN A 122 3.340 10.660 0.508 1.00 0.50 H new ATOM 0 HG2 GLN A 122 1.482 9.843 -0.854 1.00 0.75 H new ATOM 0 HG3 GLN A 122 0.832 8.950 0.506 1.00 0.75 H new ATOM 0 HE21 GLN A 122 -0.208 10.035 2.210 1.00 0.39 H new ATOM 0 HE22 GLN A 122 -0.730 11.715 2.055 1.00 0.39 H new ATOM 1802 N SER A 123 5.241 8.509 2.279 1.00 0.27 N ATOM 1803 CA SER A 123 6.588 8.595 2.819 1.00 0.26 C ATOM 1804 C SER A 123 7.482 7.522 2.203 1.00 0.20 C ATOM 1805 O SER A 123 8.665 7.752 1.961 1.00 0.23 O ATOM 1806 CB SER A 123 6.552 8.442 4.340 1.00 0.30 C ATOM 1807 OG SER A 123 5.668 9.382 4.924 1.00 1.03 O ATOM 0 H SER A 123 4.523 8.302 2.973 1.00 0.27 H new ATOM 0 HA SER A 123 7.001 9.572 2.570 1.00 0.26 H new ATOM 0 HB2 SER A 123 6.237 7.431 4.600 1.00 0.30 H new ATOM 0 HB3 SER A 123 7.554 8.578 4.747 1.00 0.30 H new ATOM 0 HG SER A 123 4.742 9.114 4.747 1.00 1.03 H new ATOM 1813 N LEU A 124 6.904 6.355 1.945 1.00 0.16 N ATOM 1814 CA LEU A 124 7.628 5.258 1.318 1.00 0.13 C ATOM 1815 C LEU A 124 7.901 5.582 -0.151 1.00 0.14 C ATOM 1816 O LEU A 124 9.023 5.417 -0.636 1.00 0.17 O ATOM 1817 CB LEU A 124 6.819 3.954 1.471 1.00 0.13 C ATOM 1818 CG LEU A 124 7.464 2.660 0.936 1.00 0.15 C ATOM 1819 CD1 LEU A 124 7.223 2.503 -0.555 1.00 0.18 C ATOM 1820 CD2 LEU A 124 8.956 2.628 1.232 1.00 0.18 C ATOM 0 H LEU A 124 5.930 6.144 2.162 1.00 0.16 H new ATOM 0 HA LEU A 124 8.591 5.121 1.810 1.00 0.13 H new ATOM 0 HB2 LEU A 124 6.604 3.812 2.530 1.00 0.13 H new ATOM 0 HB3 LEU A 124 5.862 4.088 0.967 1.00 0.13 H new ATOM 0 HG LEU A 124 6.992 1.824 1.451 1.00 0.15 H new ATOM 0 HD11 LEU A 124 7.689 1.582 -0.904 1.00 0.18 H new ATOM 0 HD12 LEU A 124 6.151 2.463 -0.748 1.00 0.18 H new ATOM 0 HD13 LEU A 124 7.655 3.352 -1.085 1.00 0.18 H new ATOM 0 HD21 LEU A 124 9.384 1.704 0.843 1.00 0.18 H new ATOM 0 HD22 LEU A 124 9.440 3.481 0.756 1.00 0.18 H new ATOM 0 HD23 LEU A 124 9.114 2.676 2.309 1.00 0.18 H new ATOM 1832 N MET A 125 6.874 6.071 -0.842 1.00 0.15 N ATOM 1833 CA MET A 125 6.986 6.417 -2.257 1.00 0.18 C ATOM 1834 C MET A 125 8.066 7.458 -2.485 1.00 0.20 C ATOM 1835 O MET A 125 8.969 7.265 -3.288 1.00 0.24 O ATOM 1836 CB MET A 125 5.662 6.986 -2.763 1.00 0.21 C ATOM 1837 CG MET A 125 4.511 6.003 -2.739 1.00 0.21 C ATOM 1838 SD MET A 125 2.914 6.832 -2.743 1.00 0.26 S ATOM 1839 CE MET A 125 3.122 7.950 -4.123 1.00 0.25 C ATOM 0 H MET A 125 5.950 6.237 -0.443 1.00 0.15 H new ATOM 0 HA MET A 125 7.243 5.506 -2.797 1.00 0.18 H new ATOM 0 HB2 MET A 125 5.397 7.852 -2.157 1.00 0.21 H new ATOM 0 HB3 MET A 125 5.799 7.341 -3.784 1.00 0.21 H new ATOM 0 HG2 MET A 125 4.579 5.344 -3.605 1.00 0.21 H new ATOM 0 HG3 MET A 125 4.590 5.374 -1.852 1.00 0.21 H new ATOM 0 HE1 MET A 125 2.153 8.145 -4.583 1.00 0.25 H new ATOM 0 HE2 MET A 125 3.551 8.888 -3.770 1.00 0.25 H new ATOM 0 HE3 MET A 125 3.789 7.500 -4.859 1.00 0.25 H new ATOM 1849 N LYS A 126 7.988 8.543 -1.739 1.00 0.20 N ATOM 1850 CA LYS A 126 8.903 9.659 -1.922 1.00 0.26 C ATOM 1851 C LYS A 126 10.295 9.322 -1.405 1.00 0.29 C ATOM 1852 O LYS A 126 11.271 9.989 -1.737 1.00 0.41 O ATOM 1853 CB LYS A 126 8.358 10.907 -1.233 1.00 0.31 C ATOM 1854 CG LYS A 126 6.962 11.291 -1.706 1.00 0.32 C ATOM 1855 CD LYS A 126 6.902 11.450 -3.219 1.00 0.46 C ATOM 1856 CE LYS A 126 5.501 11.807 -3.685 1.00 0.60 C ATOM 1857 NZ LYS A 126 5.056 13.124 -3.156 1.00 1.34 N ATOM 0 H LYS A 126 7.300 8.678 -0.998 1.00 0.20 H new ATOM 0 HA LYS A 126 8.987 9.858 -2.990 1.00 0.26 H new ATOM 0 HB2 LYS A 126 8.337 10.740 -0.156 1.00 0.31 H new ATOM 0 HB3 LYS A 126 9.038 11.740 -1.413 1.00 0.31 H new ATOM 0 HG2 LYS A 126 6.249 10.528 -1.392 1.00 0.32 H new ATOM 0 HG3 LYS A 126 6.661 12.224 -1.230 1.00 0.32 H new ATOM 0 HD2 LYS A 126 7.600 12.226 -3.532 1.00 0.46 H new ATOM 0 HD3 LYS A 126 7.221 10.523 -3.696 1.00 0.46 H new ATOM 0 HE2 LYS A 126 5.475 11.827 -4.775 1.00 0.60 H new ATOM 0 HE3 LYS A 126 4.804 11.033 -3.364 1.00 0.60 H new ATOM 0 HZ1 LYS A 126 4.183 13.415 -3.640 1.00 1.34 H new ATOM 0 HZ2 LYS A 126 4.876 13.045 -2.135 1.00 1.34 H new ATOM 0 HZ3 LYS A 126 5.798 13.834 -3.323 1.00 1.34 H new ATOM 1871 N PHE A 127 10.373 8.296 -0.577 1.00 0.25 N ATOM 1872 CA PHE A 127 11.643 7.844 -0.042 1.00 0.30 C ATOM 1873 C PHE A 127 12.488 7.160 -1.113 1.00 0.35 C ATOM 1874 O PHE A 127 13.602 7.594 -1.412 1.00 0.43 O ATOM 1875 CB PHE A 127 11.397 6.880 1.115 1.00 0.28 C ATOM 1876 CG PHE A 127 12.652 6.316 1.713 1.00 0.33 C ATOM 1877 CD1 PHE A 127 12.962 4.973 1.574 1.00 0.39 C ATOM 1878 CD2 PHE A 127 13.519 7.132 2.416 1.00 0.41 C ATOM 1879 CE1 PHE A 127 14.116 4.454 2.128 1.00 0.45 C ATOM 1880 CE2 PHE A 127 14.673 6.622 2.970 1.00 0.47 C ATOM 1881 CZ PHE A 127 14.975 5.265 2.809 1.00 0.47 C ATOM 0 H PHE A 127 9.567 7.758 -0.260 1.00 0.25 H new ATOM 0 HA PHE A 127 12.192 8.716 0.313 1.00 0.30 H new ATOM 0 HB2 PHE A 127 10.836 7.397 1.893 1.00 0.28 H new ATOM 0 HB3 PHE A 127 10.772 6.059 0.764 1.00 0.28 H new ATOM 0 HD1 PHE A 127 12.294 4.325 1.026 1.00 0.39 H new ATOM 0 HD2 PHE A 127 13.289 8.181 2.532 1.00 0.41 H new ATOM 0 HE1 PHE A 127 14.339 3.403 2.021 1.00 0.45 H new ATOM 0 HE2 PHE A 127 15.340 7.265 3.525 1.00 0.47 H new ATOM 0 HZ PHE A 127 15.887 4.861 3.223 1.00 0.47 H new ATOM 1891 N MET A 128 11.950 6.093 -1.686 1.00 0.36 N ATOM 1892 CA MET A 128 12.716 5.264 -2.606 1.00 0.46 C ATOM 1893 C MET A 128 12.463 5.656 -4.059 1.00 0.47 C ATOM 1894 O MET A 128 13.317 5.457 -4.921 1.00 0.57 O ATOM 1895 CB MET A 128 12.416 3.778 -2.361 1.00 0.54 C ATOM 1896 CG MET A 128 10.956 3.373 -2.532 1.00 0.53 C ATOM 1897 SD MET A 128 10.497 3.090 -4.251 1.00 1.04 S ATOM 1898 CE MET A 128 11.628 1.777 -4.699 1.00 1.63 C ATOM 0 H MET A 128 10.991 5.782 -1.531 1.00 0.36 H new ATOM 0 HA MET A 128 13.776 5.433 -2.414 1.00 0.46 H new ATOM 0 HB2 MET A 128 13.023 3.184 -3.044 1.00 0.54 H new ATOM 0 HB3 MET A 128 12.731 3.522 -1.349 1.00 0.54 H new ATOM 0 HG2 MET A 128 10.767 2.466 -1.958 1.00 0.53 H new ATOM 0 HG3 MET A 128 10.318 4.152 -2.115 1.00 0.53 H new ATOM 0 HE1 MET A 128 11.360 1.385 -5.680 1.00 1.63 H new ATOM 0 HE2 MET A 128 12.645 2.168 -4.730 1.00 1.63 H new ATOM 0 HE3 MET A 128 11.569 0.978 -3.960 1.00 1.63 H new