USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 600 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 LYS NZ :NH3+ -122:sc= 0.865 (180deg=0) USER MOD Set 1.2: A 65 SER OG : rot 120:sc= 0.771 USER MOD Set 2.1: A 44 THR OG1 : rot 180:sc= -0.321 USER MOD Set 2.2: A 47 GLN : amide:sc= -0.299 K(o=-0.62,f=-4.6!) USER MOD Set 3.1: A 24 SER OG : rot -18:sc= 0.543 USER MOD Set 3.2: A 25 HIS : no HD1:sc= -0.181 X(o=0.36,f=0.52) USER MOD Set 4.1: A 22 LYS NZ :NH3+ -177:sc= 0.527 (180deg=0.522) USER MOD Set 4.2: A 26 GLN : amide:sc= -0.856 K(o=-0.33,f=-1.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.0368 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HE2:sc= -0.276 K(o=-0.28,f=-1.1) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HE2:sc= -0.301 K(o=-0.3,f=-1) USER MOD Single : A 11 MET CE :methyl -130:sc= -0.0733 (180deg=-4.01!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.94 K(o=-2.9,f=-6.2!) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 0.611 (180deg=0.345) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.489 K(o=-0.49,f=-4.7!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.127 K(o=-0.13,f=-0.84) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -110:sc= -0.286 (180deg=-2.03!) USER MOD Single : A 59 THR OG1 : rot -76:sc= 0.832 USER MOD Single : A 62 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0141) USER MOD Single : A 63 GLN : amide:sc= -0.0687 X(o=-0.069,f=0.13) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.235 2.914 -7.062 1.00 55.30 N ATOM 2 CA MET A 1 31.463 2.857 -8.536 1.00 4.02 C ATOM 3 C MET A 1 30.103 2.872 -9.288 1.00 51.44 C ATOM 4 O MET A 1 29.101 2.386 -8.752 1.00 52.40 O ATOM 5 CB MET A 1 32.292 1.588 -8.894 1.00 30.55 C ATOM 6 CG MET A 1 32.770 1.525 -10.353 1.00 24.25 C ATOM 7 SD MET A 1 33.829 2.927 -10.782 1.00 2.04 S ATOM 8 CE MET A 1 34.088 2.674 -12.540 1.00 61.35 C ATOM 0 H1 MET A 1 31.525 3.846 -6.702 1.00 55.30 H new ATOM 0 H2 MET A 1 30.226 2.764 -6.861 1.00 55.30 H new ATOM 0 H3 MET A 1 31.795 2.173 -6.595 1.00 55.30 H new ATOM 0 HA MET A 1 32.030 3.734 -8.849 1.00 4.02 H new ATOM 0 HB2 MET A 1 33.162 1.542 -8.239 1.00 30.55 H new ATOM 0 HB3 MET A 1 31.688 0.705 -8.685 1.00 30.55 H new ATOM 0 HG2 MET A 1 33.316 0.596 -10.516 1.00 24.25 H new ATOM 0 HG3 MET A 1 31.906 1.507 -11.017 1.00 24.25 H new ATOM 0 HE1 MET A 1 34.724 3.468 -12.932 1.00 61.35 H new ATOM 0 HE2 MET A 1 34.570 1.710 -12.702 1.00 61.35 H new ATOM 0 HE3 MET A 1 33.128 2.691 -13.055 1.00 61.35 H new ATOM 20 N GLY A 2 30.093 3.428 -10.524 1.00 51.14 N ATOM 21 CA GLY A 2 28.866 3.582 -11.329 1.00 62.21 C ATOM 22 C GLY A 2 28.194 2.254 -11.740 1.00 0.44 C ATOM 23 O GLY A 2 28.473 1.704 -12.814 1.00 52.54 O ATOM 0 H GLY A 2 30.932 3.779 -10.985 1.00 51.14 H new ATOM 0 HA2 GLY A 2 28.149 4.177 -10.763 1.00 62.21 H new ATOM 0 HA3 GLY A 2 29.107 4.146 -12.230 1.00 62.21 H new ATOM 27 N HIS A 3 27.318 1.739 -10.855 1.00 70.22 N ATOM 28 CA HIS A 3 26.490 0.533 -11.106 1.00 75.41 C ATOM 29 C HIS A 3 25.040 0.782 -10.650 1.00 24.43 C ATOM 30 O HIS A 3 24.141 0.904 -11.489 1.00 50.13 O ATOM 31 CB HIS A 3 27.078 -0.721 -10.393 1.00 24.15 C ATOM 32 CG HIS A 3 28.429 -1.152 -10.903 1.00 63.45 C ATOM 33 ND1 HIS A 3 28.600 -1.799 -12.114 1.00 43.22 N ATOM 34 CD2 HIS A 3 29.676 -1.026 -10.379 1.00 24.53 C ATOM 35 CE1 HIS A 3 29.875 -2.047 -12.306 1.00 55.43 C ATOM 36 NE2 HIS A 3 30.549 -1.588 -11.274 1.00 43.42 N ATOM 0 H HIS A 3 27.160 2.150 -9.935 1.00 70.22 H new ATOM 0 HA HIS A 3 26.497 0.336 -12.178 1.00 75.41 H new ATOM 0 HB2 HIS A 3 27.155 -0.514 -9.326 1.00 24.15 H new ATOM 0 HB3 HIS A 3 26.379 -1.550 -10.507 1.00 24.15 H new ATOM 0 HD2 HIS A 3 29.932 -0.569 -9.435 1.00 24.53 H new ATOM 0 HE1 HIS A 3 30.299 -2.544 -13.166 1.00 55.43 H new ATOM 0 HE2 HIS A 3 31.561 -1.642 -11.158 1.00 43.42 H new ATOM 45 N HIS A 4 24.833 0.845 -9.308 1.00 64.40 N ATOM 46 CA HIS A 4 23.509 1.099 -8.663 1.00 3.53 C ATOM 47 C HIS A 4 22.440 0.026 -9.060 1.00 52.44 C ATOM 48 O HIS A 4 21.230 0.231 -8.886 1.00 2.04 O ATOM 49 CB HIS A 4 23.023 2.554 -8.993 1.00 41.02 C ATOM 50 CG HIS A 4 21.943 3.101 -8.091 1.00 43.43 C ATOM 51 ND1 HIS A 4 20.600 2.881 -8.299 1.00 13.20 N ATOM 52 CD2 HIS A 4 22.020 3.876 -6.983 1.00 74.21 C ATOM 53 CE1 HIS A 4 19.907 3.492 -7.370 1.00 54.51 C ATOM 54 NE2 HIS A 4 20.740 4.103 -6.555 1.00 54.12 N ATOM 0 H HIS A 4 25.587 0.720 -8.633 1.00 64.40 H new ATOM 0 HA HIS A 4 23.637 1.012 -7.584 1.00 3.53 H new ATOM 0 HB2 HIS A 4 23.882 3.224 -8.949 1.00 41.02 H new ATOM 0 HB3 HIS A 4 22.657 2.572 -10.020 1.00 41.02 H new ATOM 0 HD1 HIS A 4 20.205 2.327 -9.059 1.00 13.20 H new ATOM 0 HD2 HIS A 4 22.924 4.246 -6.522 1.00 74.21 H new ATOM 0 HE1 HIS A 4 18.830 3.494 -7.287 1.00 54.51 H new ATOM 63 N HIS A 5 22.908 -1.143 -9.554 1.00 70.11 N ATOM 64 CA HIS A 5 22.025 -2.189 -10.101 1.00 62.23 C ATOM 65 C HIS A 5 21.264 -2.937 -8.980 1.00 73.30 C ATOM 66 O HIS A 5 21.856 -3.673 -8.186 1.00 21.35 O ATOM 67 CB HIS A 5 22.822 -3.188 -10.976 1.00 71.44 C ATOM 68 CG HIS A 5 21.973 -4.296 -11.562 1.00 14.01 C ATOM 69 ND1 HIS A 5 20.922 -4.059 -12.428 1.00 12.52 N ATOM 70 CD2 HIS A 5 21.994 -5.642 -11.375 1.00 13.43 C ATOM 71 CE1 HIS A 5 20.342 -5.198 -12.739 1.00 52.41 C ATOM 72 NE2 HIS A 5 20.974 -6.170 -12.117 1.00 70.03 N ATOM 0 H HIS A 5 23.899 -1.383 -9.583 1.00 70.11 H new ATOM 0 HA HIS A 5 21.287 -1.692 -10.731 1.00 62.23 H new ATOM 0 HB2 HIS A 5 23.303 -2.643 -11.788 1.00 71.44 H new ATOM 0 HB3 HIS A 5 23.616 -3.630 -10.375 1.00 71.44 H new ATOM 0 HD2 HIS A 5 22.687 -6.192 -10.756 1.00 13.43 H new ATOM 0 HE1 HIS A 5 19.491 -5.315 -13.394 1.00 52.41 H new ATOM 0 HE2 HIS A 5 20.740 -7.161 -12.179 1.00 70.03 H new ATOM 81 N HIS A 6 19.949 -2.702 -8.927 1.00 0.31 N ATOM 82 CA HIS A 6 19.010 -3.449 -8.076 1.00 5.24 C ATOM 83 C HIS A 6 18.101 -4.342 -8.949 1.00 24.43 C ATOM 84 O HIS A 6 18.192 -4.326 -10.186 1.00 22.34 O ATOM 85 CB HIS A 6 18.170 -2.466 -7.228 1.00 4.32 C ATOM 86 CG HIS A 6 18.989 -1.606 -6.298 1.00 61.42 C ATOM 87 ND1 HIS A 6 19.749 -2.129 -5.271 1.00 4.33 N ATOM 88 CD2 HIS A 6 19.168 -0.261 -6.237 1.00 31.31 C ATOM 89 CE1 HIS A 6 20.350 -1.153 -4.627 1.00 62.01 C ATOM 90 NE2 HIS A 6 20.016 -0.014 -5.193 1.00 31.14 N ATOM 0 H HIS A 6 19.497 -1.976 -9.483 1.00 0.31 H new ATOM 0 HA HIS A 6 19.571 -4.092 -7.399 1.00 5.24 H new ATOM 0 HB2 HIS A 6 17.600 -1.820 -7.896 1.00 4.32 H new ATOM 0 HB3 HIS A 6 17.448 -3.034 -6.641 1.00 4.32 H new ATOM 0 HD2 HIS A 6 18.724 0.475 -6.890 1.00 31.31 H new ATOM 0 HE1 HIS A 6 21.007 -1.267 -3.777 1.00 62.01 H new ATOM 0 HE2 HIS A 6 20.339 0.908 -4.900 1.00 31.14 H new ATOM 99 N HIS A 7 17.233 -5.127 -8.293 1.00 3.43 N ATOM 100 CA HIS A 7 16.273 -6.013 -8.986 1.00 55.33 C ATOM 101 C HIS A 7 15.094 -5.201 -9.581 1.00 23.23 C ATOM 102 O HIS A 7 14.461 -4.403 -8.874 1.00 51.10 O ATOM 103 CB HIS A 7 15.760 -7.113 -8.020 1.00 30.35 C ATOM 104 CG HIS A 7 16.840 -8.063 -7.554 1.00 1.01 C ATOM 105 ND1 HIS A 7 17.142 -9.239 -8.212 1.00 1.25 N ATOM 106 CD2 HIS A 7 17.706 -7.999 -6.510 1.00 72.03 C ATOM 107 CE1 HIS A 7 18.136 -9.846 -7.598 1.00 65.45 C ATOM 108 NE2 HIS A 7 18.495 -9.114 -6.567 1.00 53.33 N ATOM 0 H HIS A 7 17.173 -5.169 -7.276 1.00 3.43 H new ATOM 0 HA HIS A 7 16.790 -6.497 -9.814 1.00 55.33 H new ATOM 0 HB2 HIS A 7 15.306 -6.638 -7.150 1.00 30.35 H new ATOM 0 HB3 HIS A 7 14.976 -7.684 -8.517 1.00 30.35 H new ATOM 0 HD2 HIS A 7 17.761 -7.213 -5.771 1.00 72.03 H new ATOM 0 HE1 HIS A 7 18.581 -10.785 -7.892 1.00 65.45 H new ATOM 0 HE2 HIS A 7 19.244 -9.342 -5.913 1.00 53.33 H new ATOM 117 N HIS A 8 14.810 -5.427 -10.887 1.00 54.31 N ATOM 118 CA HIS A 8 13.730 -4.730 -11.632 1.00 35.31 C ATOM 119 C HIS A 8 12.331 -5.057 -11.053 1.00 3.42 C ATOM 120 O HIS A 8 11.403 -4.241 -11.144 1.00 61.22 O ATOM 121 CB HIS A 8 13.789 -5.105 -13.136 1.00 43.02 C ATOM 122 CG HIS A 8 12.801 -4.378 -14.018 1.00 1.00 C ATOM 123 ND1 HIS A 8 13.038 -3.124 -14.535 1.00 2.01 N ATOM 124 CD2 HIS A 8 11.569 -4.731 -14.467 1.00 0.20 C ATOM 125 CE1 HIS A 8 12.005 -2.740 -15.251 1.00 73.14 C ATOM 126 NE2 HIS A 8 11.100 -3.695 -15.224 1.00 34.53 N ATOM 0 H HIS A 8 15.324 -6.099 -11.456 1.00 54.31 H new ATOM 0 HA HIS A 8 13.891 -3.658 -11.522 1.00 35.31 H new ATOM 0 HB2 HIS A 8 14.795 -4.907 -13.505 1.00 43.02 H new ATOM 0 HB3 HIS A 8 13.619 -6.177 -13.234 1.00 43.02 H new ATOM 0 HD2 HIS A 8 11.055 -5.659 -14.263 1.00 0.20 H new ATOM 0 HE1 HIS A 8 11.914 -1.799 -15.774 1.00 73.14 H new ATOM 0 HE2 HIS A 8 10.194 -3.666 -15.693 1.00 34.53 H new ATOM 135 N SER A 9 12.189 -6.258 -10.472 1.00 54.45 N ATOM 136 CA SER A 9 10.944 -6.693 -9.805 1.00 54.24 C ATOM 137 C SER A 9 10.794 -6.021 -8.414 1.00 44.42 C ATOM 138 O SER A 9 11.011 -6.646 -7.372 1.00 61.12 O ATOM 139 CB SER A 9 10.902 -8.239 -9.700 1.00 55.20 C ATOM 140 OG SER A 9 10.937 -8.855 -10.988 1.00 31.10 O ATOM 0 H SER A 9 12.931 -6.957 -10.449 1.00 54.45 H new ATOM 0 HA SER A 9 10.095 -6.374 -10.410 1.00 54.24 H new ATOM 0 HB2 SER A 9 11.748 -8.587 -9.107 1.00 55.20 H new ATOM 0 HB3 SER A 9 9.997 -8.544 -9.175 1.00 55.20 H new ATOM 0 HG SER A 9 10.911 -9.829 -10.885 1.00 31.10 H new ATOM 146 N HIS A 10 10.453 -4.716 -8.442 1.00 2.21 N ATOM 147 CA HIS A 10 10.237 -3.858 -7.249 1.00 73.21 C ATOM 148 C HIS A 10 9.274 -2.699 -7.597 1.00 12.03 C ATOM 149 O HIS A 10 8.907 -2.512 -8.759 1.00 71.24 O ATOM 150 CB HIS A 10 11.580 -3.290 -6.696 1.00 65.13 C ATOM 151 CG HIS A 10 12.376 -4.261 -5.858 1.00 21.45 C ATOM 152 ND1 HIS A 10 13.712 -4.520 -6.055 1.00 61.52 N ATOM 153 CD2 HIS A 10 12.009 -5.019 -4.792 1.00 24.41 C ATOM 154 CE1 HIS A 10 14.124 -5.389 -5.160 1.00 42.12 C ATOM 155 NE2 HIS A 10 13.116 -5.706 -4.382 1.00 3.14 N ATOM 0 H HIS A 10 10.315 -4.212 -9.318 1.00 2.21 H new ATOM 0 HA HIS A 10 9.793 -4.478 -6.470 1.00 73.21 H new ATOM 0 HB2 HIS A 10 12.195 -2.966 -7.535 1.00 65.13 H new ATOM 0 HB3 HIS A 10 11.366 -2.405 -6.097 1.00 65.13 H new ATOM 0 HD1 HIS A 10 14.293 -4.103 -6.782 1.00 61.52 H new ATOM 0 HD2 HIS A 10 11.025 -5.069 -4.351 1.00 24.41 H new ATOM 0 HE1 HIS A 10 15.128 -5.779 -5.078 1.00 42.12 H new ATOM 164 N MET A 11 8.900 -1.903 -6.581 1.00 62.12 N ATOM 165 CA MET A 11 7.925 -0.803 -6.743 1.00 12.30 C ATOM 166 C MET A 11 8.574 0.419 -7.443 1.00 73.10 C ATOM 167 O MET A 11 9.639 0.882 -7.028 1.00 35.44 O ATOM 168 CB MET A 11 7.334 -0.417 -5.359 1.00 4.04 C ATOM 169 CG MET A 11 6.651 -1.589 -4.632 1.00 23.23 C ATOM 170 SD MET A 11 6.196 -1.181 -2.935 1.00 50.13 S ATOM 171 CE MET A 11 5.465 -2.715 -2.351 1.00 35.44 C ATOM 0 H MET A 11 9.259 -2.000 -5.631 1.00 62.12 H new ATOM 0 HA MET A 11 7.112 -1.144 -7.383 1.00 12.30 H new ATOM 0 HB2 MET A 11 8.132 -0.025 -4.729 1.00 4.04 H new ATOM 0 HB3 MET A 11 6.611 0.387 -5.494 1.00 4.04 H new ATOM 0 HG2 MET A 11 5.758 -1.883 -5.183 1.00 23.23 H new ATOM 0 HG3 MET A 11 7.320 -2.449 -4.628 1.00 23.23 H new ATOM 0 HE1 MET A 11 4.499 -2.506 -1.892 1.00 35.44 H new ATOM 0 HE2 MET A 11 5.328 -3.396 -3.191 1.00 35.44 H new ATOM 0 HE3 MET A 11 6.125 -3.175 -1.615 1.00 35.44 H new ATOM 181 N SER A 12 7.905 0.938 -8.489 1.00 1.55 N ATOM 182 CA SER A 12 8.437 2.036 -9.351 1.00 15.50 C ATOM 183 C SER A 12 7.849 3.397 -8.927 1.00 31.24 C ATOM 184 O SER A 12 6.868 3.419 -8.202 1.00 51.40 O ATOM 185 CB SER A 12 8.120 1.753 -10.836 1.00 3.32 C ATOM 186 OG SER A 12 8.642 0.496 -11.244 1.00 50.34 O ATOM 0 H SER A 12 6.979 0.615 -8.769 1.00 1.55 H new ATOM 0 HA SER A 12 9.519 2.077 -9.225 1.00 15.50 H new ATOM 0 HB2 SER A 12 7.041 1.768 -10.989 1.00 3.32 H new ATOM 0 HB3 SER A 12 8.541 2.543 -11.457 1.00 3.32 H new ATOM 0 HG SER A 12 8.425 0.342 -12.187 1.00 50.34 H new ATOM 192 N HIS A 13 8.440 4.517 -9.409 1.00 13.01 N ATOM 193 CA HIS A 13 8.104 5.909 -8.964 1.00 65.24 C ATOM 194 C HIS A 13 6.570 6.204 -8.940 1.00 12.43 C ATOM 195 O HIS A 13 6.045 6.653 -7.921 1.00 11.34 O ATOM 196 CB HIS A 13 8.843 6.935 -9.873 1.00 2.10 C ATOM 197 CG HIS A 13 8.676 8.389 -9.483 1.00 21.33 C ATOM 198 ND1 HIS A 13 9.504 9.030 -8.587 1.00 51.23 N ATOM 199 CD2 HIS A 13 7.780 9.328 -9.882 1.00 3.24 C ATOM 200 CE1 HIS A 13 9.126 10.283 -8.453 1.00 24.13 C ATOM 201 NE2 HIS A 13 8.084 10.488 -9.226 1.00 14.31 N ATOM 0 H HIS A 13 9.169 4.489 -10.122 1.00 13.01 H new ATOM 0 HA HIS A 13 8.442 6.005 -7.932 1.00 65.24 H new ATOM 0 HB2 HIS A 13 9.906 6.696 -9.871 1.00 2.10 H new ATOM 0 HB3 HIS A 13 8.490 6.808 -10.896 1.00 2.10 H new ATOM 0 HD2 HIS A 13 6.975 9.185 -10.588 1.00 3.24 H new ATOM 0 HE1 HIS A 13 9.593 11.019 -7.815 1.00 24.13 H new ATOM 0 HE2 HIS A 13 7.582 11.371 -9.321 1.00 14.31 H new ATOM 210 N THR A 14 5.881 5.925 -10.064 1.00 41.33 N ATOM 211 CA THR A 14 4.415 6.141 -10.209 1.00 4.30 C ATOM 212 C THR A 14 3.610 5.264 -9.209 1.00 64.15 C ATOM 213 O THR A 14 2.646 5.729 -8.590 1.00 45.11 O ATOM 214 CB THR A 14 3.961 5.821 -11.677 1.00 32.14 C ATOM 215 OG1 THR A 14 4.745 6.581 -12.615 1.00 22.01 O ATOM 216 CG2 THR A 14 2.467 6.114 -11.931 1.00 30.25 C ATOM 0 H THR A 14 6.319 5.543 -10.902 1.00 41.33 H new ATOM 0 HA THR A 14 4.211 7.188 -9.986 1.00 4.30 H new ATOM 0 HB THR A 14 4.117 4.751 -11.815 1.00 32.14 H new ATOM 0 HG1 THR A 14 4.455 6.373 -13.528 1.00 22.01 H new ATOM 0 HG21 THR A 14 2.219 5.871 -12.964 1.00 30.25 H new ATOM 0 HG22 THR A 14 1.858 5.508 -11.260 1.00 30.25 H new ATOM 0 HG23 THR A 14 2.267 7.170 -11.749 1.00 30.25 H new ATOM 224 N GLN A 15 4.054 4.002 -9.049 1.00 71.20 N ATOM 225 CA GLN A 15 3.428 3.008 -8.144 1.00 12.14 C ATOM 226 C GLN A 15 3.573 3.418 -6.658 1.00 24.52 C ATOM 227 O GLN A 15 2.632 3.268 -5.872 1.00 41.10 O ATOM 228 CB GLN A 15 4.071 1.619 -8.408 1.00 64.42 C ATOM 229 CG GLN A 15 3.505 0.463 -7.565 1.00 65.13 C ATOM 230 CD GLN A 15 3.984 -0.910 -8.041 1.00 62.14 C ATOM 231 OE1 GLN A 15 4.967 -1.440 -7.569 1.00 33.43 O ATOM 232 NE2 GLN A 15 3.308 -1.479 -9.010 1.00 23.53 N ATOM 0 H GLN A 15 4.865 3.637 -9.548 1.00 71.20 H new ATOM 0 HA GLN A 15 2.359 2.961 -8.350 1.00 12.14 H new ATOM 0 HB2 GLN A 15 3.946 1.373 -9.463 1.00 64.42 H new ATOM 0 HB3 GLN A 15 5.143 1.692 -8.223 1.00 64.42 H new ATOM 0 HG2 GLN A 15 3.796 0.603 -6.524 1.00 65.13 H new ATOM 0 HG3 GLN A 15 2.416 0.494 -7.599 1.00 65.13 H new ATOM 0 HE21 GLN A 15 2.483 -1.019 -9.395 1.00 23.53 H new ATOM 0 HE22 GLN A 15 3.607 -2.382 -9.379 1.00 23.53 H new ATOM 241 N VAL A 16 4.761 3.941 -6.305 1.00 22.01 N ATOM 242 CA VAL A 16 5.060 4.478 -4.963 1.00 44.23 C ATOM 243 C VAL A 16 4.140 5.675 -4.629 1.00 54.40 C ATOM 244 O VAL A 16 3.700 5.800 -3.497 1.00 62.43 O ATOM 245 CB VAL A 16 6.584 4.881 -4.833 1.00 44.53 C ATOM 246 CG1 VAL A 16 6.911 5.572 -3.481 1.00 75.15 C ATOM 247 CG2 VAL A 16 7.492 3.644 -5.053 1.00 50.05 C ATOM 0 H VAL A 16 5.549 4.004 -6.949 1.00 22.01 H new ATOM 0 HA VAL A 16 4.863 3.688 -4.238 1.00 44.23 H new ATOM 0 HB VAL A 16 6.786 5.615 -5.613 1.00 44.53 H new ATOM 0 HG11 VAL A 16 7.971 5.826 -3.449 1.00 75.15 H new ATOM 0 HG12 VAL A 16 6.317 6.481 -3.384 1.00 75.15 H new ATOM 0 HG13 VAL A 16 6.675 4.895 -2.660 1.00 75.15 H new ATOM 0 HG21 VAL A 16 8.537 3.939 -4.960 1.00 50.05 H new ATOM 0 HG22 VAL A 16 7.261 2.886 -4.305 1.00 50.05 H new ATOM 0 HG23 VAL A 16 7.317 3.237 -6.049 1.00 50.05 H new ATOM 257 N ILE A 17 3.838 6.531 -5.634 1.00 22.52 N ATOM 258 CA ILE A 17 2.886 7.662 -5.466 1.00 4.13 C ATOM 259 C ILE A 17 1.455 7.146 -5.144 1.00 4.21 C ATOM 260 O ILE A 17 0.780 7.712 -4.294 1.00 54.02 O ATOM 261 CB ILE A 17 2.845 8.596 -6.738 1.00 41.45 C ATOM 262 CG1 ILE A 17 4.261 9.181 -7.047 1.00 21.34 C ATOM 263 CG2 ILE A 17 1.799 9.737 -6.581 1.00 11.21 C ATOM 264 CD1 ILE A 17 4.358 9.995 -8.333 1.00 41.11 C ATOM 0 H ILE A 17 4.238 6.462 -6.570 1.00 22.52 H new ATOM 0 HA ILE A 17 3.248 8.253 -4.625 1.00 4.13 H new ATOM 0 HB ILE A 17 2.536 7.981 -7.583 1.00 41.45 H new ATOM 0 HG12 ILE A 17 4.567 9.812 -6.212 1.00 21.34 H new ATOM 0 HG13 ILE A 17 4.973 8.358 -7.102 1.00 21.34 H new ATOM 0 HG21 ILE A 17 1.801 10.358 -7.477 1.00 11.21 H new ATOM 0 HG22 ILE A 17 0.808 9.305 -6.441 1.00 11.21 H new ATOM 0 HG23 ILE A 17 2.054 10.348 -5.715 1.00 11.21 H new ATOM 0 HD11 ILE A 17 5.378 10.357 -8.458 1.00 41.11 H new ATOM 0 HD12 ILE A 17 4.089 9.367 -9.182 1.00 41.11 H new ATOM 0 HD13 ILE A 17 3.676 10.844 -8.279 1.00 41.11 H new ATOM 276 N GLU A 18 1.020 6.063 -5.817 1.00 53.24 N ATOM 277 CA GLU A 18 -0.310 5.438 -5.570 1.00 23.44 C ATOM 278 C GLU A 18 -0.400 4.820 -4.154 1.00 60.00 C ATOM 279 O GLU A 18 -1.435 4.916 -3.483 1.00 35.22 O ATOM 280 CB GLU A 18 -0.601 4.356 -6.637 1.00 50.00 C ATOM 281 CG GLU A 18 -0.596 4.858 -8.094 1.00 41.45 C ATOM 282 CD GLU A 18 -1.676 5.917 -8.392 1.00 42.11 C ATOM 283 OE1 GLU A 18 -2.847 5.539 -8.624 1.00 60.13 O ATOM 284 OE2 GLU A 18 -1.359 7.121 -8.401 1.00 14.44 O ATOM 0 H GLU A 18 1.567 5.596 -6.540 1.00 53.24 H new ATOM 0 HA GLU A 18 -1.060 6.226 -5.639 1.00 23.44 H new ATOM 0 HB2 GLU A 18 0.140 3.563 -6.540 1.00 50.00 H new ATOM 0 HB3 GLU A 18 -1.573 3.911 -6.425 1.00 50.00 H new ATOM 0 HG2 GLU A 18 0.384 5.279 -8.320 1.00 41.45 H new ATOM 0 HG3 GLU A 18 -0.740 4.008 -8.761 1.00 41.45 H new ATOM 291 N LEU A 19 0.697 4.171 -3.736 1.00 32.31 N ATOM 292 CA LEU A 19 0.877 3.662 -2.365 1.00 21.10 C ATOM 293 C LEU A 19 0.826 4.822 -1.331 1.00 54.11 C ATOM 294 O LEU A 19 0.170 4.704 -0.299 1.00 1.04 O ATOM 295 CB LEU A 19 2.230 2.900 -2.281 1.00 60.34 C ATOM 296 CG LEU A 19 2.307 1.502 -2.983 1.00 52.03 C ATOM 297 CD1 LEU A 19 3.762 1.125 -3.348 1.00 73.05 C ATOM 298 CD2 LEU A 19 1.659 0.400 -2.109 1.00 63.42 C ATOM 0 H LEU A 19 1.493 3.982 -4.345 1.00 32.31 H new ATOM 0 HA LEU A 19 0.063 2.978 -2.124 1.00 21.10 H new ATOM 0 HB2 LEU A 19 3.004 3.537 -2.710 1.00 60.34 H new ATOM 0 HB3 LEU A 19 2.477 2.764 -1.228 1.00 60.34 H new ATOM 0 HG LEU A 19 1.741 1.577 -3.912 1.00 52.03 H new ATOM 0 HD11 LEU A 19 3.774 0.149 -3.833 1.00 73.05 H new ATOM 0 HD12 LEU A 19 4.172 1.873 -4.027 1.00 73.05 H new ATOM 0 HD13 LEU A 19 4.366 1.087 -2.442 1.00 73.05 H new ATOM 0 HD21 LEU A 19 1.728 -0.559 -2.623 1.00 63.42 H new ATOM 0 HD22 LEU A 19 2.181 0.339 -1.154 1.00 63.42 H new ATOM 0 HD23 LEU A 19 0.611 0.644 -1.934 1.00 63.42 H new ATOM 310 N GLU A 20 1.526 5.944 -1.639 1.00 60.43 N ATOM 311 CA GLU A 20 1.546 7.173 -0.798 1.00 53.25 C ATOM 312 C GLU A 20 0.149 7.825 -0.704 1.00 50.34 C ATOM 313 O GLU A 20 -0.208 8.374 0.337 1.00 74.41 O ATOM 314 CB GLU A 20 2.556 8.218 -1.365 1.00 24.14 C ATOM 315 CG GLU A 20 4.053 7.874 -1.181 1.00 53.12 C ATOM 316 CD GLU A 20 4.556 7.966 0.274 1.00 30.22 C ATOM 317 OE1 GLU A 20 4.315 9.002 0.936 1.00 73.42 O ATOM 318 OE2 GLU A 20 5.240 7.035 0.745 1.00 35.22 O ATOM 0 H GLU A 20 2.096 6.024 -2.481 1.00 60.43 H new ATOM 0 HA GLU A 20 1.857 6.866 0.200 1.00 53.25 H new ATOM 0 HB2 GLU A 20 2.360 8.345 -2.430 1.00 24.14 H new ATOM 0 HB3 GLU A 20 2.362 9.179 -0.888 1.00 24.14 H new ATOM 0 HG2 GLU A 20 4.229 6.863 -1.550 1.00 53.12 H new ATOM 0 HG3 GLU A 20 4.646 8.547 -1.800 1.00 53.12 H new ATOM 325 N ARG A 21 -0.607 7.789 -1.817 1.00 54.51 N ATOM 326 CA ARG A 21 -1.987 8.311 -1.883 1.00 31.23 C ATOM 327 C ARG A 21 -2.888 7.569 -0.871 1.00 51.51 C ATOM 328 O ARG A 21 -3.557 8.193 -0.048 1.00 75.31 O ATOM 329 CB ARG A 21 -2.548 8.198 -3.339 1.00 31.54 C ATOM 330 CG ARG A 21 -2.022 9.284 -4.314 1.00 41.21 C ATOM 331 CD ARG A 21 -2.511 9.090 -5.767 1.00 30.42 C ATOM 332 NE ARG A 21 -2.221 10.265 -6.614 1.00 63.14 N ATOM 333 CZ ARG A 21 -2.520 10.385 -7.898 1.00 43.14 C ATOM 334 NH1 ARG A 21 -3.003 9.387 -8.586 1.00 15.04 N ATOM 335 NH2 ARG A 21 -2.318 11.514 -8.501 1.00 72.23 N ATOM 0 H ARG A 21 -0.278 7.396 -2.699 1.00 54.51 H new ATOM 0 HA ARG A 21 -1.978 9.367 -1.614 1.00 31.23 H new ATOM 0 HB2 ARG A 21 -2.295 7.216 -3.738 1.00 31.54 H new ATOM 0 HB3 ARG A 21 -3.636 8.256 -3.302 1.00 31.54 H new ATOM 0 HG2 ARG A 21 -2.339 10.265 -3.959 1.00 41.21 H new ATOM 0 HG3 ARG A 21 -0.932 9.277 -4.301 1.00 41.21 H new ATOM 0 HD2 ARG A 21 -2.033 8.209 -6.195 1.00 30.42 H new ATOM 0 HD3 ARG A 21 -3.585 8.901 -5.765 1.00 30.42 H new ATOM 0 HE ARG A 21 -1.749 11.053 -6.171 1.00 63.14 H new ATOM 0 HH11 ARG A 21 -3.159 8.485 -8.136 1.00 15.04 H new ATOM 0 HH12 ARG A 21 -3.224 9.509 -9.574 1.00 15.04 H new ATOM 0 HH21 ARG A 21 -1.930 12.305 -7.986 1.00 72.23 H new ATOM 0 HH22 ARG A 21 -2.547 11.612 -9.490 1.00 72.23 H new ATOM 349 N LYS A 22 -2.843 6.231 -0.913 1.00 70.01 N ATOM 350 CA LYS A 22 -3.623 5.362 -0.006 1.00 74.41 C ATOM 351 C LYS A 22 -3.139 5.497 1.474 1.00 13.33 C ATOM 352 O LYS A 22 -3.949 5.493 2.403 1.00 22.02 O ATOM 353 CB LYS A 22 -3.518 3.901 -0.512 1.00 51.12 C ATOM 354 CG LYS A 22 -4.497 2.898 0.135 1.00 30.45 C ATOM 355 CD LYS A 22 -5.982 3.250 -0.115 1.00 73.43 C ATOM 356 CE LYS A 22 -6.950 2.169 0.399 1.00 5.41 C ATOM 357 NZ LYS A 22 -8.376 2.560 0.214 1.00 71.35 N ATOM 0 H LYS A 22 -2.265 5.714 -1.576 1.00 70.01 H new ATOM 0 HA LYS A 22 -4.668 5.672 -0.014 1.00 74.41 H new ATOM 0 HB2 LYS A 22 -3.681 3.896 -1.590 1.00 51.12 H new ATOM 0 HB3 LYS A 22 -2.501 3.549 -0.342 1.00 51.12 H new ATOM 0 HG2 LYS A 22 -4.296 1.900 -0.255 1.00 30.45 H new ATOM 0 HG3 LYS A 22 -4.314 2.863 1.209 1.00 30.45 H new ATOM 0 HD2 LYS A 22 -6.212 4.198 0.372 1.00 73.43 H new ATOM 0 HD3 LYS A 22 -6.141 3.394 -1.184 1.00 73.43 H new ATOM 0 HE2 LYS A 22 -6.760 1.233 -0.127 1.00 5.41 H new ATOM 0 HE3 LYS A 22 -6.759 1.985 1.456 1.00 5.41 H new ATOM 0 HZ1 LYS A 22 -8.992 1.827 0.619 1.00 71.35 H new ATOM 0 HZ2 LYS A 22 -8.553 3.465 0.694 1.00 71.35 H new ATOM 0 HZ3 LYS A 22 -8.579 2.661 -0.801 1.00 71.35 H new ATOM 371 N PHE A 23 -1.809 5.649 1.646 1.00 25.15 N ATOM 372 CA PHE A 23 -1.135 5.803 2.966 1.00 70.35 C ATOM 373 C PHE A 23 -1.503 7.135 3.669 1.00 71.52 C ATOM 374 O PHE A 23 -1.685 7.179 4.890 1.00 22.34 O ATOM 375 CB PHE A 23 0.401 5.707 2.760 1.00 34.14 C ATOM 376 CG PHE A 23 1.251 5.671 4.035 1.00 72.14 C ATOM 377 CD1 PHE A 23 1.404 4.489 4.759 1.00 61.13 C ATOM 378 CD2 PHE A 23 1.903 6.812 4.510 1.00 30.31 C ATOM 379 CE1 PHE A 23 2.181 4.443 5.897 1.00 60.21 C ATOM 380 CE2 PHE A 23 2.684 6.764 5.649 1.00 2.33 C ATOM 381 CZ PHE A 23 2.818 5.583 6.345 1.00 33.15 C ATOM 0 H PHE A 23 -1.157 5.669 0.862 1.00 25.15 H new ATOM 0 HA PHE A 23 -1.481 5.002 3.619 1.00 70.35 H new ATOM 0 HB2 PHE A 23 0.614 4.809 2.180 1.00 34.14 H new ATOM 0 HB3 PHE A 23 0.720 6.558 2.159 1.00 34.14 H new ATOM 0 HD1 PHE A 23 0.904 3.593 4.422 1.00 61.13 H new ATOM 0 HD2 PHE A 23 1.795 7.746 3.979 1.00 30.31 H new ATOM 0 HE1 PHE A 23 2.291 3.515 6.438 1.00 60.21 H new ATOM 0 HE2 PHE A 23 3.190 7.654 5.994 1.00 2.33 H new ATOM 0 HZ PHE A 23 3.421 5.549 7.240 1.00 33.15 H new ATOM 391 N SER A 24 -1.569 8.225 2.884 1.00 62.24 N ATOM 392 CA SER A 24 -1.903 9.579 3.389 1.00 61.52 C ATOM 393 C SER A 24 -3.380 9.696 3.810 1.00 43.50 C ATOM 394 O SER A 24 -3.723 10.552 4.632 1.00 45.53 O ATOM 395 CB SER A 24 -1.567 10.646 2.327 1.00 1.10 C ATOM 396 OG SER A 24 -2.322 10.460 1.136 1.00 13.52 O ATOM 0 H SER A 24 -1.393 8.197 1.880 1.00 62.24 H new ATOM 0 HA SER A 24 -1.296 9.750 4.278 1.00 61.52 H new ATOM 0 HB2 SER A 24 -1.766 11.638 2.733 1.00 1.10 H new ATOM 0 HB3 SER A 24 -0.503 10.604 2.093 1.00 1.10 H new ATOM 0 HG SER A 24 -2.679 9.548 1.114 1.00 13.52 H new ATOM 402 N HIS A 25 -4.255 8.852 3.231 1.00 55.25 N ATOM 403 CA HIS A 25 -5.679 8.776 3.634 1.00 14.41 C ATOM 404 C HIS A 25 -5.857 7.887 4.889 1.00 41.21 C ATOM 405 O HIS A 25 -6.482 8.295 5.872 1.00 15.34 O ATOM 406 CB HIS A 25 -6.533 8.239 2.452 1.00 55.23 C ATOM 407 CG HIS A 25 -6.683 9.198 1.287 1.00 35.14 C ATOM 408 ND1 HIS A 25 -7.863 9.363 0.594 1.00 63.20 N ATOM 409 CD2 HIS A 25 -5.794 10.027 0.682 1.00 41.24 C ATOM 410 CE1 HIS A 25 -7.690 10.239 -0.371 1.00 1.44 C ATOM 411 NE2 HIS A 25 -6.446 10.654 -0.338 1.00 72.13 N ATOM 0 H HIS A 25 -4.003 8.210 2.480 1.00 55.25 H new ATOM 0 HA HIS A 25 -6.021 9.779 3.890 1.00 14.41 H new ATOM 0 HB2 HIS A 25 -6.083 7.315 2.088 1.00 55.23 H new ATOM 0 HB3 HIS A 25 -7.525 7.985 2.825 1.00 55.23 H new ATOM 0 HD2 HIS A 25 -4.759 10.165 0.958 1.00 41.24 H new ATOM 0 HE1 HIS A 25 -8.445 10.562 -1.073 1.00 1.44 H new ATOM 0 HE2 HIS A 25 -6.033 11.336 -0.974 1.00 72.13 H new ATOM 420 N GLN A 26 -5.286 6.669 4.843 1.00 12.34 N ATOM 421 CA GLN A 26 -5.267 5.727 5.989 1.00 63.14 C ATOM 422 C GLN A 26 -3.902 4.992 6.075 1.00 23.04 C ATOM 423 O GLN A 26 -3.377 4.484 5.079 1.00 34.14 O ATOM 424 CB GLN A 26 -6.442 4.716 5.908 1.00 24.21 C ATOM 425 CG GLN A 26 -6.470 3.846 4.637 1.00 22.12 C ATOM 426 CD GLN A 26 -7.513 2.720 4.665 1.00 52.44 C ATOM 427 OE1 GLN A 26 -8.066 2.344 3.635 1.00 41.20 O ATOM 428 NE2 GLN A 26 -7.752 2.136 5.825 1.00 61.32 N ATOM 0 H GLN A 26 -4.823 6.305 4.010 1.00 12.34 H new ATOM 0 HA GLN A 26 -5.397 6.308 6.902 1.00 63.14 H new ATOM 0 HB2 GLN A 26 -6.397 4.060 6.777 1.00 24.21 H new ATOM 0 HB3 GLN A 26 -7.380 5.267 5.973 1.00 24.21 H new ATOM 0 HG2 GLN A 26 -6.667 4.486 3.777 1.00 22.12 H new ATOM 0 HG3 GLN A 26 -5.483 3.408 4.489 1.00 22.12 H new ATOM 0 HE21 GLN A 26 -7.281 2.465 6.668 1.00 61.32 H new ATOM 0 HE22 GLN A 26 -8.407 1.356 5.878 1.00 61.32 H new ATOM 437 N LYS A 27 -3.349 4.945 7.288 1.00 53.13 N ATOM 438 CA LYS A 27 -1.990 4.422 7.562 1.00 11.24 C ATOM 439 C LYS A 27 -1.920 2.876 7.591 1.00 42.31 C ATOM 440 O LYS A 27 -0.830 2.299 7.483 1.00 42.20 O ATOM 441 CB LYS A 27 -1.524 5.004 8.915 1.00 11.25 C ATOM 442 CG LYS A 27 -1.287 6.532 8.901 1.00 35.23 C ATOM 443 CD LYS A 27 -0.083 6.929 8.022 1.00 42.35 C ATOM 444 CE LYS A 27 0.102 8.446 7.882 1.00 34.31 C ATOM 445 NZ LYS A 27 -1.008 9.072 7.123 1.00 12.13 N ATOM 0 H LYS A 27 -3.831 5.271 8.126 1.00 53.13 H new ATOM 0 HA LYS A 27 -1.335 4.731 6.747 1.00 11.24 H new ATOM 0 HB2 LYS A 27 -2.270 4.771 9.674 1.00 11.25 H new ATOM 0 HB3 LYS A 27 -0.600 4.507 9.212 1.00 11.25 H new ATOM 0 HG2 LYS A 27 -2.183 7.033 8.534 1.00 35.23 H new ATOM 0 HG3 LYS A 27 -1.121 6.881 9.920 1.00 35.23 H new ATOM 0 HD2 LYS A 27 0.824 6.499 8.447 1.00 42.35 H new ATOM 0 HD3 LYS A 27 -0.208 6.494 7.031 1.00 42.35 H new ATOM 0 HE2 LYS A 27 0.164 8.897 8.872 1.00 34.31 H new ATOM 0 HE3 LYS A 27 1.047 8.651 7.379 1.00 34.31 H new ATOM 0 HZ1 LYS A 27 -0.701 9.997 6.759 1.00 12.13 H new ATOM 0 HZ2 LYS A 27 -1.274 8.457 6.327 1.00 12.13 H new ATOM 0 HZ3 LYS A 27 -1.828 9.201 7.750 1.00 12.13 H new ATOM 459 N TYR A 28 -3.080 2.222 7.767 1.00 63.11 N ATOM 460 CA TYR A 28 -3.189 0.745 7.878 1.00 44.43 C ATOM 461 C TYR A 28 -4.397 0.244 7.060 1.00 43.13 C ATOM 462 O TYR A 28 -5.526 0.696 7.276 1.00 42.11 O ATOM 463 CB TYR A 28 -3.334 0.321 9.372 1.00 20.32 C ATOM 464 CG TYR A 28 -2.153 0.744 10.262 1.00 42.13 C ATOM 465 CD1 TYR A 28 -0.927 0.075 10.191 1.00 41.22 C ATOM 466 CD2 TYR A 28 -2.250 1.835 11.134 1.00 14.55 C ATOM 467 CE1 TYR A 28 0.147 0.468 10.961 1.00 64.11 C ATOM 468 CE2 TYR A 28 -1.172 2.237 11.900 1.00 50.52 C ATOM 469 CZ TYR A 28 0.022 1.553 11.810 1.00 33.53 C ATOM 470 OH TYR A 28 1.106 1.963 12.558 1.00 75.04 O ATOM 0 H TYR A 28 -3.978 2.700 7.838 1.00 63.11 H new ATOM 0 HA TYR A 28 -2.280 0.295 7.479 1.00 44.43 H new ATOM 0 HB2 TYR A 28 -4.251 0.753 9.774 1.00 20.32 H new ATOM 0 HB3 TYR A 28 -3.443 -0.762 9.422 1.00 20.32 H new ATOM 0 HD1 TYR A 28 -0.820 -0.765 9.521 1.00 41.22 H new ATOM 0 HD2 TYR A 28 -3.184 2.372 11.209 1.00 14.55 H new ATOM 0 HE1 TYR A 28 1.082 -0.069 10.902 1.00 64.11 H new ATOM 0 HE2 TYR A 28 -1.264 3.082 12.566 1.00 50.52 H new ATOM 0 HH TYR A 28 0.854 2.738 13.102 1.00 75.04 H new ATOM 480 N LEU A 29 -4.156 -0.686 6.109 1.00 60.32 N ATOM 481 CA LEU A 29 -5.220 -1.212 5.218 1.00 72.15 C ATOM 482 C LEU A 29 -5.866 -2.496 5.773 1.00 51.01 C ATOM 483 O LEU A 29 -5.166 -3.422 6.198 1.00 73.52 O ATOM 484 CB LEU A 29 -4.664 -1.508 3.798 1.00 32.31 C ATOM 485 CG LEU A 29 -3.976 -0.331 3.047 1.00 72.25 C ATOM 486 CD1 LEU A 29 -3.751 -0.674 1.558 1.00 62.51 C ATOM 487 CD2 LEU A 29 -4.767 0.976 3.206 1.00 21.12 C ATOM 0 H LEU A 29 -3.235 -1.089 5.937 1.00 60.32 H new ATOM 0 HA LEU A 29 -5.982 -0.434 5.164 1.00 72.15 H new ATOM 0 HB2 LEU A 29 -3.946 -2.324 3.879 1.00 32.31 H new ATOM 0 HB3 LEU A 29 -5.487 -1.868 3.181 1.00 32.31 H new ATOM 0 HG LEU A 29 -2.998 -0.177 3.503 1.00 72.25 H new ATOM 0 HD11 LEU A 29 -3.269 0.167 1.060 1.00 62.51 H new ATOM 0 HD12 LEU A 29 -3.115 -1.555 1.480 1.00 62.51 H new ATOM 0 HD13 LEU A 29 -4.711 -0.876 1.082 1.00 62.51 H new ATOM 0 HD21 LEU A 29 -4.258 1.777 2.669 1.00 21.12 H new ATOM 0 HD22 LEU A 29 -5.770 0.846 2.799 1.00 21.12 H new ATOM 0 HD23 LEU A 29 -4.835 1.234 4.263 1.00 21.12 H new ATOM 499 N SER A 30 -7.203 -2.559 5.720 1.00 62.22 N ATOM 500 CA SER A 30 -7.945 -3.809 5.966 1.00 61.21 C ATOM 501 C SER A 30 -7.810 -4.734 4.741 1.00 62.51 C ATOM 502 O SER A 30 -7.396 -4.281 3.670 1.00 75.22 O ATOM 503 CB SER A 30 -9.433 -3.511 6.246 1.00 41.34 C ATOM 504 OG SER A 30 -9.607 -2.754 7.438 1.00 52.45 O ATOM 0 H SER A 30 -7.797 -1.758 5.508 1.00 62.22 H new ATOM 0 HA SER A 30 -7.526 -4.304 6.842 1.00 61.21 H new ATOM 0 HB2 SER A 30 -9.859 -2.965 5.404 1.00 41.34 H new ATOM 0 HB3 SER A 30 -9.982 -4.449 6.328 1.00 41.34 H new ATOM 0 HG SER A 30 -10.561 -2.584 7.581 1.00 52.45 H new ATOM 510 N ALA A 31 -8.188 -6.013 4.901 1.00 0.42 N ATOM 511 CA ALA A 31 -8.094 -7.036 3.826 1.00 5.23 C ATOM 512 C ALA A 31 -8.708 -6.597 2.446 1.00 63.14 C ATOM 513 O ALA A 31 -8.066 -6.827 1.416 1.00 1.20 O ATOM 514 CB ALA A 31 -8.692 -8.367 4.303 1.00 2.54 C ATOM 0 H ALA A 31 -8.568 -6.375 5.776 1.00 0.42 H new ATOM 0 HA ALA A 31 -7.029 -7.162 3.629 1.00 5.23 H new ATOM 0 HB1 ALA A 31 -8.616 -9.106 3.506 1.00 2.54 H new ATOM 0 HB2 ALA A 31 -8.145 -8.719 5.178 1.00 2.54 H new ATOM 0 HB3 ALA A 31 -9.740 -8.222 4.565 1.00 2.54 H new ATOM 520 N PRO A 32 -9.943 -5.964 2.376 1.00 10.21 N ATOM 521 CA PRO A 32 -10.487 -5.434 1.088 1.00 52.42 C ATOM 522 C PRO A 32 -9.615 -4.307 0.466 1.00 43.53 C ATOM 523 O PRO A 32 -9.380 -4.309 -0.741 1.00 3.55 O ATOM 524 CB PRO A 32 -11.894 -4.905 1.480 1.00 10.13 C ATOM 525 CG PRO A 32 -11.815 -4.665 2.956 1.00 75.04 C ATOM 526 CD PRO A 32 -10.919 -5.755 3.486 1.00 62.14 C ATOM 0 HA PRO A 32 -10.507 -6.203 0.316 1.00 52.42 H new ATOM 0 HB2 PRO A 32 -12.136 -3.988 0.943 1.00 10.13 H new ATOM 0 HB3 PRO A 32 -12.671 -5.630 1.238 1.00 10.13 H new ATOM 0 HG2 PRO A 32 -11.406 -3.678 3.173 1.00 75.04 H new ATOM 0 HG3 PRO A 32 -12.802 -4.709 3.416 1.00 75.04 H new ATOM 0 HD2 PRO A 32 -10.422 -5.455 4.408 1.00 62.14 H new ATOM 0 HD3 PRO A 32 -11.478 -6.664 3.707 1.00 62.14 H new ATOM 534 N GLU A 33 -9.139 -3.359 1.305 1.00 2.01 N ATOM 535 CA GLU A 33 -8.354 -2.174 0.852 1.00 65.33 C ATOM 536 C GLU A 33 -6.956 -2.586 0.341 1.00 54.44 C ATOM 537 O GLU A 33 -6.430 -2.027 -0.628 1.00 23.33 O ATOM 538 CB GLU A 33 -8.186 -1.161 2.023 1.00 30.42 C ATOM 539 CG GLU A 33 -9.475 -0.834 2.803 1.00 63.53 C ATOM 540 CD GLU A 33 -10.636 -0.367 1.911 1.00 5.42 C ATOM 541 OE1 GLU A 33 -10.510 0.691 1.259 1.00 43.42 O ATOM 542 OE2 GLU A 33 -11.679 -1.055 1.858 1.00 63.11 O ATOM 0 H GLU A 33 -9.285 -3.388 2.314 1.00 2.01 H new ATOM 0 HA GLU A 33 -8.904 -1.710 0.033 1.00 65.33 H new ATOM 0 HB2 GLU A 33 -7.449 -1.558 2.722 1.00 30.42 H new ATOM 0 HB3 GLU A 33 -7.778 -0.233 1.623 1.00 30.42 H new ATOM 0 HG2 GLU A 33 -9.788 -1.719 3.357 1.00 63.53 H new ATOM 0 HG3 GLU A 33 -9.258 -0.058 3.537 1.00 63.53 H new ATOM 549 N ARG A 34 -6.381 -3.572 1.042 1.00 1.02 N ATOM 550 CA ARG A 34 -5.037 -4.107 0.797 1.00 3.22 C ATOM 551 C ARG A 34 -5.009 -4.938 -0.504 1.00 73.42 C ATOM 552 O ARG A 34 -4.087 -4.808 -1.307 1.00 45.25 O ATOM 553 CB ARG A 34 -4.633 -4.956 2.024 1.00 44.01 C ATOM 554 CG ARG A 34 -3.183 -5.468 2.039 1.00 31.01 C ATOM 555 CD ARG A 34 -2.922 -6.383 3.249 1.00 61.52 C ATOM 556 NE ARG A 34 -3.841 -7.535 3.258 1.00 62.12 N ATOM 557 CZ ARG A 34 -3.928 -8.447 4.196 1.00 64.33 C ATOM 558 NH1 ARG A 34 -3.133 -8.440 5.231 1.00 42.00 N ATOM 559 NH2 ARG A 34 -4.816 -9.381 4.076 1.00 2.03 N ATOM 0 H ARG A 34 -6.854 -4.033 1.819 1.00 1.02 H new ATOM 0 HA ARG A 34 -4.322 -3.295 0.664 1.00 3.22 H new ATOM 0 HB2 ARG A 34 -4.797 -4.362 2.923 1.00 44.01 H new ATOM 0 HB3 ARG A 34 -5.302 -5.815 2.083 1.00 44.01 H new ATOM 0 HG2 ARG A 34 -2.979 -6.014 1.118 1.00 31.01 H new ATOM 0 HG3 ARG A 34 -2.497 -4.621 2.067 1.00 31.01 H new ATOM 0 HD2 ARG A 34 -1.892 -6.737 3.224 1.00 61.52 H new ATOM 0 HD3 ARG A 34 -3.041 -5.813 4.171 1.00 61.52 H new ATOM 0 HE ARG A 34 -4.468 -7.632 2.460 1.00 62.12 H new ATOM 0 HH11 ARG A 34 -2.423 -7.713 5.324 1.00 42.00 H new ATOM 0 HH12 ARG A 34 -3.221 -9.161 5.947 1.00 42.00 H new ATOM 0 HH21 ARG A 34 -5.432 -9.398 3.263 1.00 2.03 H new ATOM 0 HH22 ARG A 34 -4.900 -10.100 4.795 1.00 2.03 H new ATOM 573 N ALA A 35 -6.053 -5.777 -0.689 1.00 33.51 N ATOM 574 CA ALA A 35 -6.260 -6.582 -1.917 1.00 52.13 C ATOM 575 C ALA A 35 -6.545 -5.691 -3.146 1.00 33.05 C ATOM 576 O ALA A 35 -6.048 -5.960 -4.244 1.00 34.31 O ATOM 577 CB ALA A 35 -7.410 -7.581 -1.697 1.00 1.35 C ATOM 0 H ALA A 35 -6.780 -5.916 0.012 1.00 33.51 H new ATOM 0 HA ALA A 35 -5.339 -7.129 -2.121 1.00 52.13 H new ATOM 0 HB1 ALA A 35 -7.558 -8.170 -2.602 1.00 1.35 H new ATOM 0 HB2 ALA A 35 -7.162 -8.245 -0.869 1.00 1.35 H new ATOM 0 HB3 ALA A 35 -8.325 -7.037 -1.464 1.00 1.35 H new ATOM 583 N HIS A 36 -7.350 -4.634 -2.925 1.00 52.52 N ATOM 584 CA HIS A 36 -7.702 -3.635 -3.956 1.00 35.42 C ATOM 585 C HIS A 36 -6.444 -2.898 -4.467 1.00 15.33 C ATOM 586 O HIS A 36 -6.217 -2.818 -5.672 1.00 51.32 O ATOM 587 CB HIS A 36 -8.728 -2.629 -3.362 1.00 30.30 C ATOM 588 CG HIS A 36 -9.190 -1.523 -4.291 1.00 45.21 C ATOM 589 ND1 HIS A 36 -10.306 -1.629 -5.096 1.00 21.12 N ATOM 590 CD2 HIS A 36 -8.698 -0.272 -4.514 1.00 34.23 C ATOM 591 CE1 HIS A 36 -10.475 -0.507 -5.764 1.00 44.30 C ATOM 592 NE2 HIS A 36 -9.519 0.328 -5.429 1.00 71.31 N ATOM 0 H HIS A 36 -7.779 -4.447 -2.019 1.00 52.52 H new ATOM 0 HA HIS A 36 -8.149 -4.146 -4.809 1.00 35.42 H new ATOM 0 HB2 HIS A 36 -9.604 -3.187 -3.030 1.00 30.30 H new ATOM 0 HB3 HIS A 36 -8.287 -2.172 -2.476 1.00 30.30 H new ATOM 0 HD2 HIS A 36 -7.823 0.164 -4.054 1.00 34.23 H new ATOM 0 HE1 HIS A 36 -11.268 -0.307 -6.470 1.00 44.30 H new ATOM 0 HE2 HIS A 36 -9.406 1.274 -5.793 1.00 71.31 H new ATOM 601 N LEU A 37 -5.631 -2.374 -3.531 1.00 55.50 N ATOM 602 CA LEU A 37 -4.407 -1.617 -3.876 1.00 1.41 C ATOM 603 C LEU A 37 -3.339 -2.553 -4.496 1.00 53.03 C ATOM 604 O LEU A 37 -2.608 -2.153 -5.408 1.00 63.44 O ATOM 605 CB LEU A 37 -3.841 -0.891 -2.624 1.00 44.35 C ATOM 606 CG LEU A 37 -2.702 0.150 -2.905 1.00 22.11 C ATOM 607 CD1 LEU A 37 -3.222 1.366 -3.713 1.00 44.42 C ATOM 608 CD2 LEU A 37 -2.011 0.597 -1.603 1.00 11.52 C ATOM 0 H LEU A 37 -5.797 -2.460 -2.528 1.00 55.50 H new ATOM 0 HA LEU A 37 -4.670 -0.863 -4.618 1.00 1.41 H new ATOM 0 HB2 LEU A 37 -4.661 -0.379 -2.121 1.00 44.35 H new ATOM 0 HB3 LEU A 37 -3.461 -1.642 -1.931 1.00 44.35 H new ATOM 0 HG LEU A 37 -1.954 -0.352 -3.519 1.00 22.11 H new ATOM 0 HD11 LEU A 37 -2.403 2.064 -3.887 1.00 44.42 H new ATOM 0 HD12 LEU A 37 -3.618 1.025 -4.670 1.00 44.42 H new ATOM 0 HD13 LEU A 37 -4.011 1.865 -3.151 1.00 44.42 H new ATOM 0 HD21 LEU A 37 -1.227 1.318 -1.836 1.00 11.52 H new ATOM 0 HD22 LEU A 37 -2.744 1.059 -0.942 1.00 11.52 H new ATOM 0 HD23 LEU A 37 -1.572 -0.269 -1.108 1.00 11.52 H new ATOM 620 N ALA A 38 -3.291 -3.806 -3.998 1.00 1.34 N ATOM 621 CA ALA A 38 -2.382 -4.851 -4.508 1.00 12.52 C ATOM 622 C ALA A 38 -2.617 -5.131 -6.005 1.00 31.52 C ATOM 623 O ALA A 38 -1.720 -4.942 -6.815 1.00 51.43 O ATOM 624 CB ALA A 38 -2.543 -6.144 -3.686 1.00 1.20 C ATOM 0 H ALA A 38 -3.883 -4.121 -3.229 1.00 1.34 H new ATOM 0 HA ALA A 38 -1.361 -4.485 -4.400 1.00 12.52 H new ATOM 0 HB1 ALA A 38 -1.867 -6.907 -4.072 1.00 1.20 H new ATOM 0 HB2 ALA A 38 -2.305 -5.943 -2.641 1.00 1.20 H new ATOM 0 HB3 ALA A 38 -3.571 -6.498 -3.762 1.00 1.20 H new ATOM 630 N LYS A 39 -3.851 -5.543 -6.361 1.00 0.00 N ATOM 631 CA LYS A 39 -4.197 -5.944 -7.748 1.00 62.42 C ATOM 632 C LYS A 39 -4.075 -4.776 -8.761 1.00 70.11 C ATOM 633 O LYS A 39 -3.649 -4.982 -9.903 1.00 44.22 O ATOM 634 CB LYS A 39 -5.617 -6.564 -7.803 1.00 51.41 C ATOM 635 CG LYS A 39 -6.789 -5.604 -7.481 1.00 55.01 C ATOM 636 CD LYS A 39 -8.174 -6.242 -7.738 1.00 72.33 C ATOM 637 CE LYS A 39 -8.402 -6.577 -9.222 1.00 11.25 C ATOM 638 NZ LYS A 39 -9.730 -7.205 -9.457 1.00 45.22 N ATOM 0 H LYS A 39 -4.631 -5.608 -5.706 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.467 -6.697 -8.045 1.00 62.42 H new ATOM 0 HB2 LYS A 39 -5.774 -6.976 -8.800 1.00 51.41 H new ATOM 0 HB3 LYS A 39 -5.655 -7.399 -7.104 1.00 51.41 H new ATOM 0 HG2 LYS A 39 -6.724 -5.296 -6.437 1.00 55.01 H new ATOM 0 HG3 LYS A 39 -6.691 -4.703 -8.086 1.00 55.01 H new ATOM 0 HD2 LYS A 39 -8.267 -7.152 -7.145 1.00 72.33 H new ATOM 0 HD3 LYS A 39 -8.953 -5.560 -7.399 1.00 72.33 H new ATOM 0 HE2 LYS A 39 -8.322 -5.666 -9.815 1.00 11.25 H new ATOM 0 HE3 LYS A 39 -7.617 -7.251 -9.566 1.00 11.25 H new ATOM 0 HZ1 LYS A 39 -9.841 -7.414 -10.470 1.00 45.22 H new ATOM 0 HZ2 LYS A 39 -9.798 -8.088 -8.912 1.00 45.22 H new ATOM 0 HZ3 LYS A 39 -10.481 -6.553 -9.154 1.00 45.22 H new ATOM 652 N ASN A 40 -4.453 -3.559 -8.322 1.00 13.13 N ATOM 653 CA ASN A 40 -4.357 -2.326 -9.144 1.00 61.22 C ATOM 654 C ASN A 40 -2.886 -1.951 -9.456 1.00 2.24 C ATOM 655 O ASN A 40 -2.587 -1.384 -10.514 1.00 54.00 O ATOM 656 CB ASN A 40 -5.083 -1.148 -8.438 1.00 20.24 C ATOM 657 CG ASN A 40 -6.608 -1.319 -8.386 1.00 71.02 C ATOM 658 OD1 ASN A 40 -7.128 -2.426 -8.430 1.00 51.34 O ATOM 659 ND2 ASN A 40 -7.331 -0.223 -8.276 1.00 33.01 N ATOM 0 H ASN A 40 -4.834 -3.398 -7.389 1.00 13.13 H new ATOM 0 HA ASN A 40 -4.849 -2.527 -10.096 1.00 61.22 H new ATOM 0 HB2 ASN A 40 -4.700 -1.051 -7.422 1.00 20.24 H new ATOM 0 HB3 ASN A 40 -4.846 -0.220 -8.958 1.00 20.24 H new ATOM 0 HD21 ASN A 40 -8.348 -0.286 -8.225 1.00 33.01 H new ATOM 0 HD22 ASN A 40 -6.874 0.688 -8.241 1.00 33.01 H new ATOM 666 N LEU A 41 -1.979 -2.263 -8.517 1.00 74.31 N ATOM 667 CA LEU A 41 -0.521 -2.046 -8.682 1.00 70.22 C ATOM 668 C LEU A 41 0.214 -3.349 -9.083 1.00 13.03 C ATOM 669 O LEU A 41 1.434 -3.351 -9.239 1.00 34.35 O ATOM 670 CB LEU A 41 0.052 -1.462 -7.368 1.00 63.44 C ATOM 671 CG LEU A 41 -0.548 -0.090 -6.922 1.00 73.35 C ATOM 672 CD1 LEU A 41 0.034 0.369 -5.570 1.00 34.22 C ATOM 673 CD2 LEU A 41 -0.346 0.982 -8.009 1.00 1.33 C ATOM 0 H LEU A 41 -2.230 -2.674 -7.618 1.00 74.31 H new ATOM 0 HA LEU A 41 -0.361 -1.338 -9.495 1.00 70.22 H new ATOM 0 HB2 LEU A 41 -0.109 -2.186 -6.569 1.00 63.44 H new ATOM 0 HB3 LEU A 41 1.130 -1.347 -7.482 1.00 63.44 H new ATOM 0 HG LEU A 41 -1.620 -0.229 -6.785 1.00 73.35 H new ATOM 0 HD11 LEU A 41 -0.406 1.327 -5.291 1.00 34.22 H new ATOM 0 HD12 LEU A 41 -0.195 -0.372 -4.805 1.00 34.22 H new ATOM 0 HD13 LEU A 41 1.115 0.478 -5.657 1.00 34.22 H new ATOM 0 HD21 LEU A 41 -0.773 1.927 -7.672 1.00 1.33 H new ATOM 0 HD22 LEU A 41 0.720 1.112 -8.198 1.00 1.33 H new ATOM 0 HD23 LEU A 41 -0.841 0.667 -8.927 1.00 1.33 H new ATOM 685 N LYS A 42 -0.548 -4.448 -9.284 1.00 50.12 N ATOM 686 CA LYS A 42 -0.009 -5.793 -9.619 1.00 24.41 C ATOM 687 C LYS A 42 0.994 -6.332 -8.547 1.00 75.42 C ATOM 688 O LYS A 42 1.775 -7.255 -8.806 1.00 41.35 O ATOM 689 CB LYS A 42 0.580 -5.817 -11.072 1.00 24.02 C ATOM 690 CG LYS A 42 -0.486 -5.719 -12.207 1.00 5.40 C ATOM 691 CD LYS A 42 -1.211 -4.349 -12.280 1.00 2.54 C ATOM 692 CE LYS A 42 -2.384 -4.326 -13.280 1.00 43.12 C ATOM 693 NZ LYS A 42 -1.954 -4.572 -14.682 1.00 51.00 N ATOM 0 H LYS A 42 -1.566 -4.430 -9.218 1.00 50.12 H new ATOM 0 HA LYS A 42 -0.847 -6.490 -9.599 1.00 24.41 H new ATOM 0 HB2 LYS A 42 1.282 -4.990 -11.179 1.00 24.02 H new ATOM 0 HB3 LYS A 42 1.149 -6.737 -11.204 1.00 24.02 H new ATOM 0 HG2 LYS A 42 -0.001 -5.912 -13.164 1.00 5.40 H new ATOM 0 HG3 LYS A 42 -1.229 -6.503 -12.062 1.00 5.40 H new ATOM 0 HD2 LYS A 42 -1.584 -4.091 -11.289 1.00 2.54 H new ATOM 0 HD3 LYS A 42 -0.491 -3.580 -12.559 1.00 2.54 H new ATOM 0 HE2 LYS A 42 -3.115 -5.081 -12.992 1.00 43.12 H new ATOM 0 HE3 LYS A 42 -2.884 -3.359 -13.223 1.00 43.12 H new ATOM 0 HZ1 LYS A 42 -2.783 -4.545 -15.309 1.00 51.00 H new ATOM 0 HZ2 LYS A 42 -1.277 -3.838 -14.971 1.00 51.00 H new ATOM 0 HZ3 LYS A 42 -1.501 -5.506 -14.747 1.00 51.00 H new ATOM 707 N LEU A 43 0.901 -5.757 -7.333 1.00 51.11 N ATOM 708 CA LEU A 43 1.616 -6.212 -6.124 1.00 62.04 C ATOM 709 C LEU A 43 0.777 -7.287 -5.389 1.00 32.24 C ATOM 710 O LEU A 43 -0.322 -7.643 -5.830 1.00 34.14 O ATOM 711 CB LEU A 43 1.865 -4.997 -5.182 1.00 44.13 C ATOM 712 CG LEU A 43 2.713 -3.835 -5.780 1.00 1.14 C ATOM 713 CD1 LEU A 43 2.718 -2.603 -4.845 1.00 43.22 C ATOM 714 CD2 LEU A 43 4.149 -4.304 -6.111 1.00 32.51 C ATOM 0 H LEU A 43 0.312 -4.942 -7.161 1.00 51.11 H new ATOM 0 HA LEU A 43 2.573 -6.648 -6.412 1.00 62.04 H new ATOM 0 HB2 LEU A 43 0.899 -4.596 -4.876 1.00 44.13 H new ATOM 0 HB3 LEU A 43 2.361 -5.357 -4.281 1.00 44.13 H new ATOM 0 HG LEU A 43 2.245 -3.530 -6.716 1.00 1.14 H new ATOM 0 HD11 LEU A 43 3.318 -1.810 -5.291 1.00 43.22 H new ATOM 0 HD12 LEU A 43 1.697 -2.249 -4.704 1.00 43.22 H new ATOM 0 HD13 LEU A 43 3.142 -2.880 -3.880 1.00 43.22 H new ATOM 0 HD21 LEU A 43 4.717 -3.472 -6.527 1.00 32.51 H new ATOM 0 HD22 LEU A 43 4.635 -4.657 -5.201 1.00 32.51 H new ATOM 0 HD23 LEU A 43 4.108 -5.115 -6.839 1.00 32.51 H new ATOM 726 N THR A 44 1.295 -7.802 -4.266 1.00 71.30 N ATOM 727 CA THR A 44 0.555 -8.753 -3.399 1.00 61.21 C ATOM 728 C THR A 44 0.132 -8.064 -2.092 1.00 5.53 C ATOM 729 O THR A 44 0.686 -7.016 -1.729 1.00 33.14 O ATOM 730 CB THR A 44 1.413 -10.014 -3.052 1.00 51.22 C ATOM 731 OG1 THR A 44 2.479 -9.668 -2.146 1.00 74.32 O ATOM 732 CG2 THR A 44 2.009 -10.655 -4.317 1.00 62.30 C ATOM 0 H THR A 44 2.231 -7.579 -3.927 1.00 71.30 H new ATOM 0 HA THR A 44 -0.325 -9.075 -3.956 1.00 61.21 H new ATOM 0 HB THR A 44 0.750 -10.736 -2.576 1.00 51.22 H new ATOM 0 HG1 THR A 44 3.005 -10.469 -1.938 1.00 74.32 H new ATOM 0 HG21 THR A 44 2.599 -11.528 -4.039 1.00 62.30 H new ATOM 0 HG22 THR A 44 1.203 -10.959 -4.985 1.00 62.30 H new ATOM 0 HG23 THR A 44 2.648 -9.932 -4.825 1.00 62.30 H new ATOM 740 N GLU A 45 -0.852 -8.660 -1.393 1.00 74.40 N ATOM 741 CA GLU A 45 -1.308 -8.179 -0.066 1.00 32.33 C ATOM 742 C GLU A 45 -0.159 -8.143 0.966 1.00 11.30 C ATOM 743 O GLU A 45 -0.137 -7.276 1.836 1.00 14.02 O ATOM 744 CB GLU A 45 -2.481 -9.046 0.471 1.00 41.31 C ATOM 745 CG GLU A 45 -3.791 -8.916 -0.330 1.00 24.31 C ATOM 746 CD GLU A 45 -4.987 -9.609 0.349 1.00 73.14 C ATOM 747 OE1 GLU A 45 -5.650 -8.973 1.201 1.00 25.33 O ATOM 748 OE2 GLU A 45 -5.257 -10.795 0.047 1.00 72.02 O ATOM 0 H GLU A 45 -1.353 -9.484 -1.725 1.00 74.40 H new ATOM 0 HA GLU A 45 -1.661 -7.157 -0.207 1.00 32.33 H new ATOM 0 HB2 GLU A 45 -2.173 -10.091 0.472 1.00 41.31 H new ATOM 0 HB3 GLU A 45 -2.675 -8.770 1.508 1.00 41.31 H new ATOM 0 HG2 GLU A 45 -4.022 -7.860 -0.468 1.00 24.31 H new ATOM 0 HG3 GLU A 45 -3.647 -9.343 -1.322 1.00 24.31 H new ATOM 755 N THR A 46 0.795 -9.085 0.847 1.00 33.20 N ATOM 756 CA THR A 46 1.973 -9.150 1.736 1.00 2.43 C ATOM 757 C THR A 46 2.947 -7.979 1.452 1.00 2.44 C ATOM 758 O THR A 46 3.456 -7.362 2.384 1.00 71.00 O ATOM 759 CB THR A 46 2.704 -10.531 1.610 1.00 25.51 C ATOM 760 OG1 THR A 46 1.764 -11.595 1.861 1.00 74.01 O ATOM 761 CG2 THR A 46 3.880 -10.672 2.595 1.00 11.01 C ATOM 0 H THR A 46 0.773 -9.818 0.138 1.00 33.20 H new ATOM 0 HA THR A 46 1.620 -9.054 2.763 1.00 2.43 H new ATOM 0 HB THR A 46 3.106 -10.589 0.598 1.00 25.51 H new ATOM 0 HG1 THR A 46 2.219 -12.459 1.781 1.00 74.01 H new ATOM 0 HG21 THR A 46 4.350 -11.647 2.464 1.00 11.01 H new ATOM 0 HG22 THR A 46 4.612 -9.888 2.402 1.00 11.01 H new ATOM 0 HG23 THR A 46 3.512 -10.581 3.617 1.00 11.01 H new ATOM 769 N GLN A 47 3.162 -7.660 0.157 1.00 73.23 N ATOM 770 CA GLN A 47 4.010 -6.512 -0.271 1.00 12.12 C ATOM 771 C GLN A 47 3.448 -5.163 0.222 1.00 63.44 C ATOM 772 O GLN A 47 4.189 -4.331 0.740 1.00 11.13 O ATOM 773 CB GLN A 47 4.142 -6.469 -1.814 1.00 1.51 C ATOM 774 CG GLN A 47 4.962 -7.615 -2.422 1.00 34.02 C ATOM 775 CD GLN A 47 5.007 -7.543 -3.943 1.00 44.44 C ATOM 776 OE1 GLN A 47 4.185 -8.130 -4.632 1.00 51.42 O ATOM 777 NE2 GLN A 47 5.936 -6.774 -4.478 1.00 14.03 N ATOM 0 H GLN A 47 2.759 -8.183 -0.620 1.00 73.23 H new ATOM 0 HA GLN A 47 4.991 -6.665 0.179 1.00 12.12 H new ATOM 0 HB2 GLN A 47 3.143 -6.484 -2.251 1.00 1.51 H new ATOM 0 HB3 GLN A 47 4.600 -5.522 -2.099 1.00 1.51 H new ATOM 0 HG2 GLN A 47 5.978 -7.582 -2.028 1.00 34.02 H new ATOM 0 HG3 GLN A 47 4.532 -8.569 -2.117 1.00 34.02 H new ATOM 0 HE21 GLN A 47 6.609 -6.296 -3.879 1.00 14.03 H new ATOM 0 HE22 GLN A 47 5.981 -6.658 -5.490 1.00 14.03 H new ATOM 786 N VAL A 48 2.140 -4.965 0.019 1.00 41.32 N ATOM 787 CA VAL A 48 1.419 -3.744 0.437 1.00 44.03 C ATOM 788 C VAL A 48 1.374 -3.613 1.989 1.00 32.24 C ATOM 789 O VAL A 48 1.544 -2.513 2.525 1.00 5.11 O ATOM 790 CB VAL A 48 -0.029 -3.738 -0.189 1.00 11.44 C ATOM 791 CG1 VAL A 48 -0.877 -2.546 0.301 1.00 4.14 C ATOM 792 CG2 VAL A 48 0.048 -3.756 -1.740 1.00 1.01 C ATOM 0 H VAL A 48 1.542 -5.650 -0.443 1.00 41.32 H new ATOM 0 HA VAL A 48 1.960 -2.874 0.064 1.00 44.03 H new ATOM 0 HB VAL A 48 -0.529 -4.645 0.151 1.00 11.44 H new ATOM 0 HG11 VAL A 48 -1.864 -2.588 -0.159 1.00 4.14 H new ATOM 0 HG12 VAL A 48 -0.980 -2.594 1.385 1.00 4.14 H new ATOM 0 HG13 VAL A 48 -0.387 -1.613 0.024 1.00 4.14 H new ATOM 0 HG21 VAL A 48 -0.960 -3.752 -2.154 1.00 1.01 H new ATOM 0 HG22 VAL A 48 0.587 -2.875 -2.088 1.00 1.01 H new ATOM 0 HG23 VAL A 48 0.571 -4.654 -2.068 1.00 1.01 H new ATOM 802 N LYS A 49 1.176 -4.751 2.689 1.00 62.42 N ATOM 803 CA LYS A 49 1.236 -4.815 4.176 1.00 1.12 C ATOM 804 C LYS A 49 2.620 -4.358 4.706 1.00 73.12 C ATOM 805 O LYS A 49 2.703 -3.496 5.581 1.00 4.22 O ATOM 806 CB LYS A 49 0.943 -6.266 4.659 1.00 53.32 C ATOM 807 CG LYS A 49 1.100 -6.490 6.184 1.00 13.45 C ATOM 808 CD LYS A 49 1.001 -7.979 6.589 1.00 50.12 C ATOM 809 CE LYS A 49 1.298 -8.203 8.080 1.00 50.11 C ATOM 810 NZ LYS A 49 1.317 -9.649 8.440 1.00 20.44 N ATOM 0 H LYS A 49 0.971 -5.648 2.249 1.00 62.42 H new ATOM 0 HA LYS A 49 0.479 -4.137 4.571 1.00 1.12 H new ATOM 0 HB2 LYS A 49 -0.074 -6.531 4.370 1.00 53.32 H new ATOM 0 HB3 LYS A 49 1.611 -6.950 4.135 1.00 53.32 H new ATOM 0 HG2 LYS A 49 2.063 -6.095 6.506 1.00 13.45 H new ATOM 0 HG3 LYS A 49 0.331 -5.924 6.710 1.00 13.45 H new ATOM 0 HD2 LYS A 49 0.001 -8.349 6.361 1.00 50.12 H new ATOM 0 HD3 LYS A 49 1.701 -8.563 5.991 1.00 50.12 H new ATOM 0 HE2 LYS A 49 2.261 -7.756 8.328 1.00 50.11 H new ATOM 0 HE3 LYS A 49 0.545 -7.691 8.679 1.00 50.11 H new ATOM 0 HZ1 LYS A 49 1.521 -9.751 9.455 1.00 20.44 H new ATOM 0 HZ2 LYS A 49 0.391 -10.072 8.229 1.00 20.44 H new ATOM 0 HZ3 LYS A 49 2.053 -10.134 7.888 1.00 20.44 H new ATOM 824 N ILE A 50 3.684 -4.960 4.145 1.00 15.32 N ATOM 825 CA ILE A 50 5.085 -4.678 4.518 1.00 4.43 C ATOM 826 C ILE A 50 5.492 -3.230 4.146 1.00 11.40 C ATOM 827 O ILE A 50 6.209 -2.588 4.908 1.00 43.43 O ATOM 828 CB ILE A 50 6.050 -5.752 3.866 1.00 55.14 C ATOM 829 CG1 ILE A 50 5.790 -7.160 4.506 1.00 31.32 C ATOM 830 CG2 ILE A 50 7.546 -5.360 3.978 1.00 24.42 C ATOM 831 CD1 ILE A 50 6.587 -8.302 3.895 1.00 2.41 C ATOM 0 H ILE A 50 3.596 -5.664 3.412 1.00 15.32 H new ATOM 0 HA ILE A 50 5.177 -4.757 5.601 1.00 4.43 H new ATOM 0 HB ILE A 50 5.823 -5.791 2.801 1.00 55.14 H new ATOM 0 HG12 ILE A 50 6.019 -7.106 5.570 1.00 31.32 H new ATOM 0 HG13 ILE A 50 4.728 -7.391 4.419 1.00 31.32 H new ATOM 0 HG21 ILE A 50 8.160 -6.132 3.515 1.00 24.42 H new ATOM 0 HG22 ILE A 50 7.712 -4.410 3.469 1.00 24.42 H new ATOM 0 HG23 ILE A 50 7.819 -5.262 5.029 1.00 24.42 H new ATOM 0 HD11 ILE A 50 6.338 -9.233 4.405 1.00 2.41 H new ATOM 0 HD12 ILE A 50 6.342 -8.391 2.837 1.00 2.41 H new ATOM 0 HD13 ILE A 50 7.653 -8.102 4.005 1.00 2.41 H new ATOM 843 N TRP A 51 5.004 -2.717 2.995 1.00 73.44 N ATOM 844 CA TRP A 51 5.259 -1.319 2.568 1.00 22.24 C ATOM 845 C TRP A 51 4.686 -0.323 3.607 1.00 24.25 C ATOM 846 O TRP A 51 5.417 0.530 4.108 1.00 32.22 O ATOM 847 CB TRP A 51 4.655 -1.044 1.160 1.00 52.30 C ATOM 848 CG TRP A 51 5.041 0.305 0.553 1.00 61.41 C ATOM 849 CD1 TRP A 51 6.090 0.565 -0.287 1.00 10.11 C ATOM 850 CD2 TRP A 51 4.389 1.571 0.756 1.00 55.42 C ATOM 851 NE1 TRP A 51 6.115 1.898 -0.623 1.00 65.41 N ATOM 852 CE2 TRP A 51 5.085 2.533 0.007 1.00 1.25 C ATOM 853 CE3 TRP A 51 3.283 1.977 1.496 1.00 33.43 C ATOM 854 CZ2 TRP A 51 4.707 3.872 -0.015 1.00 54.42 C ATOM 855 CZ3 TRP A 51 2.909 3.297 1.479 1.00 12.14 C ATOM 856 CH2 TRP A 51 3.617 4.235 0.728 1.00 52.23 C ATOM 0 H TRP A 51 4.430 -3.250 2.342 1.00 73.44 H new ATOM 0 HA TRP A 51 6.338 -1.177 2.505 1.00 22.24 H new ATOM 0 HB2 TRP A 51 4.972 -1.836 0.482 1.00 52.30 H new ATOM 0 HB3 TRP A 51 3.569 -1.099 1.228 1.00 52.30 H new ATOM 0 HD1 TRP A 51 6.798 -0.172 -0.636 1.00 10.11 H new ATOM 0 HE1 TRP A 51 6.794 2.340 -1.243 1.00 65.41 H new ATOM 0 HE3 TRP A 51 2.724 1.260 2.079 1.00 33.43 H new ATOM 0 HZ2 TRP A 51 5.254 4.598 -0.597 1.00 54.42 H new ATOM 0 HZ3 TRP A 51 2.053 3.615 2.056 1.00 12.14 H new ATOM 0 HH2 TRP A 51 3.299 5.267 0.733 1.00 52.23 H new ATOM 867 N PHE A 52 3.373 -0.442 3.902 1.00 70.30 N ATOM 868 CA PHE A 52 2.680 0.395 4.922 1.00 53.01 C ATOM 869 C PHE A 52 3.371 0.311 6.310 1.00 50.54 C ATOM 870 O PHE A 52 3.609 1.336 6.945 1.00 70.34 O ATOM 871 CB PHE A 52 1.166 0.017 5.009 1.00 33.11 C ATOM 872 CG PHE A 52 0.303 0.696 3.934 1.00 74.11 C ATOM 873 CD1 PHE A 52 0.459 0.395 2.581 1.00 0.23 C ATOM 874 CD2 PHE A 52 -0.642 1.664 4.274 1.00 62.22 C ATOM 875 CE1 PHE A 52 -0.290 1.036 1.612 1.00 21.04 C ATOM 876 CE2 PHE A 52 -1.393 2.298 3.307 1.00 51.04 C ATOM 877 CZ PHE A 52 -1.216 1.989 1.976 1.00 23.11 C ATOM 0 H PHE A 52 2.760 -1.117 3.445 1.00 70.30 H new ATOM 0 HA PHE A 52 2.751 1.434 4.601 1.00 53.01 H new ATOM 0 HB2 PHE A 52 1.064 -1.064 4.917 1.00 33.11 H new ATOM 0 HB3 PHE A 52 0.787 0.290 5.994 1.00 33.11 H new ATOM 0 HD1 PHE A 52 1.179 -0.353 2.285 1.00 0.23 H new ATOM 0 HD2 PHE A 52 -0.788 1.921 5.313 1.00 62.22 H new ATOM 0 HE1 PHE A 52 -0.149 0.790 0.570 1.00 21.04 H new ATOM 0 HE2 PHE A 52 -2.123 3.040 3.594 1.00 51.04 H new ATOM 0 HZ PHE A 52 -1.801 2.492 1.221 1.00 23.11 H new ATOM 887 N GLN A 53 3.725 -0.921 6.723 1.00 61.32 N ATOM 888 CA GLN A 53 4.469 -1.210 7.980 1.00 2.33 C ATOM 889 C GLN A 53 5.812 -0.433 8.054 1.00 45.52 C ATOM 890 O GLN A 53 6.111 0.238 9.052 1.00 13.13 O ATOM 891 CB GLN A 53 4.745 -2.742 8.053 1.00 71.34 C ATOM 892 CG GLN A 53 5.581 -3.215 9.262 1.00 71.33 C ATOM 893 CD GLN A 53 6.146 -4.623 9.064 1.00 44.44 C ATOM 894 OE1 GLN A 53 5.527 -5.615 9.424 1.00 45.13 O ATOM 895 NE2 GLN A 53 7.317 -4.717 8.462 1.00 23.12 N ATOM 0 H GLN A 53 3.502 -1.761 6.190 1.00 61.32 H new ATOM 0 HA GLN A 53 3.859 -0.885 8.823 1.00 2.33 H new ATOM 0 HB2 GLN A 53 3.789 -3.264 8.069 1.00 71.34 H new ATOM 0 HB3 GLN A 53 5.258 -3.044 7.140 1.00 71.34 H new ATOM 0 HG2 GLN A 53 6.402 -2.517 9.428 1.00 71.33 H new ATOM 0 HG3 GLN A 53 4.961 -3.198 10.158 1.00 71.33 H new ATOM 0 HE21 GLN A 53 7.811 -3.873 8.173 1.00 23.12 H new ATOM 0 HE22 GLN A 53 7.728 -5.634 8.286 1.00 23.12 H new ATOM 904 N ASN A 54 6.604 -0.543 6.974 1.00 75.31 N ATOM 905 CA ASN A 54 7.941 0.076 6.866 1.00 52.41 C ATOM 906 C ASN A 54 7.859 1.607 6.814 1.00 45.31 C ATOM 907 O ASN A 54 8.649 2.290 7.450 1.00 14.15 O ATOM 908 CB ASN A 54 8.681 -0.463 5.622 1.00 10.22 C ATOM 909 CG ASN A 54 9.096 -1.929 5.750 1.00 53.22 C ATOM 910 OD1 ASN A 54 9.331 -2.438 6.840 1.00 10.01 O ATOM 911 ND2 ASN A 54 9.202 -2.615 4.633 1.00 23.14 N ATOM 0 H ASN A 54 6.334 -1.068 6.142 1.00 75.31 H new ATOM 0 HA ASN A 54 8.501 -0.193 7.761 1.00 52.41 H new ATOM 0 HB2 ASN A 54 8.038 -0.350 4.749 1.00 10.22 H new ATOM 0 HB3 ASN A 54 9.569 0.144 5.445 1.00 10.22 H new ATOM 0 HD21 ASN A 54 9.486 -3.594 4.661 1.00 23.14 H new ATOM 0 HD22 ASN A 54 9.001 -2.168 3.739 1.00 23.14 H new ATOM 918 N ARG A 55 6.910 2.135 6.037 1.00 31.30 N ATOM 919 CA ARG A 55 6.655 3.585 5.961 1.00 23.35 C ATOM 920 C ARG A 55 6.187 4.155 7.320 1.00 53.51 C ATOM 921 O ARG A 55 6.469 5.295 7.611 1.00 74.33 O ATOM 922 CB ARG A 55 5.657 3.916 4.813 1.00 1.23 C ATOM 923 CG ARG A 55 6.293 4.210 3.427 1.00 10.13 C ATOM 924 CD ARG A 55 7.095 3.036 2.818 1.00 72.41 C ATOM 925 NE ARG A 55 8.453 2.873 3.375 1.00 64.34 N ATOM 926 CZ ARG A 55 9.566 2.863 2.669 1.00 64.20 C ATOM 927 NH1 ARG A 55 9.566 3.147 1.397 1.00 20.15 N ATOM 928 NH2 ARG A 55 10.692 2.599 3.235 1.00 33.24 N ATOM 0 H ARG A 55 6.297 1.577 5.443 1.00 31.30 H new ATOM 0 HA ARG A 55 7.598 4.077 5.725 1.00 23.35 H new ATOM 0 HB2 ARG A 55 4.967 3.079 4.705 1.00 1.23 H new ATOM 0 HB3 ARG A 55 5.065 4.781 5.111 1.00 1.23 H new ATOM 0 HG2 ARG A 55 5.501 4.490 2.732 1.00 10.13 H new ATOM 0 HG3 ARG A 55 6.953 5.072 3.522 1.00 10.13 H new ATOM 0 HD2 ARG A 55 6.538 2.112 2.973 1.00 72.41 H new ATOM 0 HD3 ARG A 55 7.172 3.184 1.741 1.00 72.41 H new ATOM 0 HE ARG A 55 8.536 2.759 4.385 1.00 64.34 H new ATOM 0 HH11 ARG A 55 8.692 3.384 0.927 1.00 20.15 H new ATOM 0 HH12 ARG A 55 10.440 3.133 0.871 1.00 20.15 H new ATOM 0 HH21 ARG A 55 10.725 2.396 4.234 1.00 33.24 H new ATOM 0 HH22 ARG A 55 11.551 2.592 2.684 1.00 33.24 H new ATOM 942 N ARG A 56 5.498 3.350 8.155 1.00 21.32 N ATOM 943 CA ARG A 56 5.158 3.746 9.553 1.00 34.31 C ATOM 944 C ARG A 56 6.417 3.839 10.452 1.00 34.40 C ATOM 945 O ARG A 56 6.430 4.545 11.468 1.00 74.42 O ATOM 946 CB ARG A 56 4.143 2.749 10.174 1.00 33.01 C ATOM 947 CG ARG A 56 2.730 2.803 9.568 1.00 70.21 C ATOM 948 CD ARG A 56 2.113 4.205 9.633 1.00 10.22 C ATOM 949 NE ARG A 56 2.077 4.749 11.002 1.00 1.21 N ATOM 950 CZ ARG A 56 2.208 6.028 11.316 1.00 74.43 C ATOM 951 NH1 ARG A 56 2.400 6.933 10.403 1.00 30.33 N ATOM 952 NH2 ARG A 56 2.153 6.397 12.553 1.00 60.21 N ATOM 0 H ARG A 56 5.163 2.423 7.894 1.00 21.32 H new ATOM 0 HA ARG A 56 4.706 4.737 9.502 1.00 34.31 H new ATOM 0 HB2 ARG A 56 4.533 1.738 10.060 1.00 33.01 H new ATOM 0 HB3 ARG A 56 4.072 2.945 11.244 1.00 33.01 H new ATOM 0 HG2 ARG A 56 2.772 2.476 8.529 1.00 70.21 H new ATOM 0 HG3 ARG A 56 2.085 2.101 10.097 1.00 70.21 H new ATOM 0 HD2 ARG A 56 2.684 4.879 8.994 1.00 10.22 H new ATOM 0 HD3 ARG A 56 1.099 4.170 9.234 1.00 10.22 H new ATOM 0 HE ARG A 56 1.941 4.088 11.767 1.00 1.21 H new ATOM 0 HH11 ARG A 56 2.452 6.663 9.421 1.00 30.33 H new ATOM 0 HH12 ARG A 56 2.498 7.913 10.669 1.00 30.33 H new ATOM 0 HH21 ARG A 56 2.009 5.703 13.286 1.00 60.21 H new ATOM 0 HH22 ARG A 56 2.254 7.382 12.796 1.00 60.21 H new ATOM 966 N TYR A 57 7.450 3.077 10.077 1.00 12.34 N ATOM 967 CA TYR A 57 8.765 3.073 10.751 1.00 44.41 C ATOM 968 C TYR A 57 9.674 4.207 10.197 1.00 2.45 C ATOM 969 O TYR A 57 10.532 4.729 10.912 1.00 5.11 O ATOM 970 CB TYR A 57 9.411 1.673 10.542 1.00 15.32 C ATOM 971 CG TYR A 57 10.678 1.373 11.365 1.00 35.30 C ATOM 972 CD1 TYR A 57 10.587 0.965 12.701 1.00 42.23 C ATOM 973 CD2 TYR A 57 11.955 1.463 10.803 1.00 5.21 C ATOM 974 CE1 TYR A 57 11.716 0.659 13.436 1.00 21.22 C ATOM 975 CE2 TYR A 57 13.088 1.163 11.539 1.00 14.33 C ATOM 976 CZ TYR A 57 12.964 0.758 12.853 1.00 1.10 C ATOM 977 OH TYR A 57 14.093 0.438 13.585 1.00 62.12 O ATOM 0 H TYR A 57 7.402 2.435 9.286 1.00 12.34 H new ATOM 0 HA TYR A 57 8.641 3.262 11.817 1.00 44.41 H new ATOM 0 HB2 TYR A 57 8.664 0.914 10.776 1.00 15.32 H new ATOM 0 HB3 TYR A 57 9.656 1.564 9.486 1.00 15.32 H new ATOM 0 HD1 TYR A 57 9.615 0.888 13.166 1.00 42.23 H new ATOM 0 HD2 TYR A 57 12.059 1.773 9.774 1.00 5.21 H new ATOM 0 HE1 TYR A 57 11.623 0.343 14.465 1.00 21.22 H new ATOM 0 HE2 TYR A 57 14.065 1.245 11.087 1.00 14.33 H new ATOM 0 HH TYR A 57 14.890 0.560 13.028 1.00 62.12 H new ATOM 987 N LYS A 58 9.457 4.573 8.914 1.00 64.33 N ATOM 988 CA LYS A 58 10.260 5.589 8.189 1.00 45.00 C ATOM 989 C LYS A 58 9.705 7.033 8.344 1.00 25.05 C ATOM 990 O LYS A 58 10.467 8.001 8.239 1.00 23.24 O ATOM 991 CB LYS A 58 10.348 5.218 6.685 1.00 13.02 C ATOM 992 CG LYS A 58 11.092 3.889 6.349 1.00 12.24 C ATOM 993 CD LYS A 58 12.611 4.032 6.011 1.00 1.22 C ATOM 994 CE LYS A 58 13.519 4.333 7.227 1.00 64.30 C ATOM 995 NZ LYS A 58 13.560 5.780 7.581 1.00 5.21 N ATOM 0 H LYS A 58 8.713 4.169 8.345 1.00 64.33 H new ATOM 0 HA LYS A 58 11.253 5.583 8.639 1.00 45.00 H new ATOM 0 HB2 LYS A 58 9.335 5.154 6.287 1.00 13.02 H new ATOM 0 HB3 LYS A 58 10.846 6.033 6.159 1.00 13.02 H new ATOM 0 HG2 LYS A 58 10.989 3.212 7.197 1.00 12.24 H new ATOM 0 HG3 LYS A 58 10.593 3.418 5.502 1.00 12.24 H new ATOM 0 HD2 LYS A 58 12.952 3.111 5.539 1.00 1.22 H new ATOM 0 HD3 LYS A 58 12.733 4.829 5.278 1.00 1.22 H new ATOM 0 HE2 LYS A 58 13.165 3.764 8.087 1.00 64.30 H new ATOM 0 HE3 LYS A 58 14.531 3.989 7.012 1.00 64.30 H new ATOM 0 HZ1 LYS A 58 14.497 6.167 7.351 1.00 5.21 H new ATOM 0 HZ2 LYS A 58 12.832 6.290 7.041 1.00 5.21 H new ATOM 0 HZ3 LYS A 58 13.379 5.894 8.599 1.00 5.21 H new ATOM 1009 N THR A 59 8.379 7.176 8.567 1.00 54.00 N ATOM 1010 CA THR A 59 7.725 8.505 8.747 1.00 32.40 C ATOM 1011 C THR A 59 8.000 9.083 10.155 1.00 71.45 C ATOM 1012 O THR A 59 8.858 8.568 10.888 1.00 52.41 O ATOM 1013 CB THR A 59 6.167 8.447 8.504 1.00 62.23 C ATOM 1014 OG1 THR A 59 5.571 7.391 9.283 1.00 62.20 O ATOM 1015 CG2 THR A 59 5.818 8.272 7.015 1.00 13.34 C ATOM 0 H THR A 59 7.734 6.388 8.628 1.00 54.00 H new ATOM 0 HA THR A 59 8.164 9.160 7.995 1.00 32.40 H new ATOM 0 HB THR A 59 5.757 9.404 8.826 1.00 62.23 H new ATOM 0 HG1 THR A 59 5.764 6.526 8.864 1.00 62.20 H new ATOM 0 HG21 THR A 59 4.735 8.237 6.897 1.00 13.34 H new ATOM 0 HG22 THR A 59 6.218 9.111 6.446 1.00 13.34 H new ATOM 0 HG23 THR A 59 6.253 7.343 6.646 1.00 13.34 H new ATOM 1023 N LYS A 60 7.289 10.186 10.500 1.00 4.12 N ATOM 1024 CA LYS A 60 7.372 10.827 11.829 1.00 31.00 C ATOM 1025 C LYS A 60 7.096 9.804 12.968 1.00 35.30 C ATOM 1026 O LYS A 60 5.943 9.469 13.263 1.00 72.44 O ATOM 1027 CB LYS A 60 6.387 12.031 11.913 1.00 0.21 C ATOM 1028 CG LYS A 60 6.584 13.112 10.813 1.00 4.54 C ATOM 1029 CD LYS A 60 8.022 13.702 10.765 1.00 52.01 C ATOM 1030 CE LYS A 60 8.473 14.341 12.094 1.00 43.35 C ATOM 1031 NZ LYS A 60 7.590 15.454 12.523 1.00 62.45 N ATOM 0 H LYS A 60 6.644 10.653 9.863 1.00 4.12 H new ATOM 0 HA LYS A 60 8.387 11.200 11.962 1.00 31.00 H new ATOM 0 HB2 LYS A 60 5.367 11.653 11.852 1.00 0.21 H new ATOM 0 HB3 LYS A 60 6.494 12.503 12.890 1.00 0.21 H new ATOM 0 HG2 LYS A 60 6.347 12.677 9.842 1.00 4.54 H new ATOM 0 HG3 LYS A 60 5.874 13.922 10.981 1.00 4.54 H new ATOM 0 HD2 LYS A 60 8.722 12.910 10.497 1.00 52.01 H new ATOM 0 HD3 LYS A 60 8.072 14.452 9.976 1.00 52.01 H new ATOM 0 HE2 LYS A 60 8.492 13.577 12.872 1.00 43.35 H new ATOM 0 HE3 LYS A 60 9.492 14.712 11.987 1.00 43.35 H new ATOM 0 HZ1 LYS A 60 8.152 16.323 12.626 1.00 62.45 H new ATOM 0 HZ2 LYS A 60 6.848 15.604 11.809 1.00 62.45 H new ATOM 0 HZ3 LYS A 60 7.150 15.216 13.435 1.00 62.45 H new ATOM 1045 N ARG A 61 8.192 9.285 13.551 1.00 54.20 N ATOM 1046 CA ARG A 61 8.158 8.192 14.535 1.00 4.05 C ATOM 1047 C ARG A 61 7.658 8.682 15.916 1.00 50.22 C ATOM 1048 O ARG A 61 7.039 7.917 16.666 1.00 51.13 O ATOM 1049 CB ARG A 61 9.577 7.570 14.662 1.00 52.12 C ATOM 1050 CG ARG A 61 9.618 6.193 15.364 1.00 55.12 C ATOM 1051 CD ARG A 61 8.929 5.082 14.538 1.00 22.04 C ATOM 1052 NE ARG A 61 8.906 3.803 15.259 1.00 1.23 N ATOM 1053 CZ ARG A 61 8.249 2.725 14.889 1.00 64.43 C ATOM 1054 NH1 ARG A 61 7.483 2.717 13.836 1.00 11.11 N ATOM 1055 NH2 ARG A 61 8.350 1.651 15.596 1.00 61.21 N ATOM 0 H ARG A 61 9.135 9.617 13.349 1.00 54.20 H new ATOM 0 HA ARG A 61 7.455 7.436 14.186 1.00 4.05 H new ATOM 0 HB2 ARG A 61 10.004 7.467 13.665 1.00 52.12 H new ATOM 0 HB3 ARG A 61 10.214 8.262 15.212 1.00 52.12 H new ATOM 0 HG2 ARG A 61 10.656 5.914 15.547 1.00 55.12 H new ATOM 0 HG3 ARG A 61 9.133 6.271 16.337 1.00 55.12 H new ATOM 0 HD2 ARG A 61 7.909 5.384 14.301 1.00 22.04 H new ATOM 0 HD3 ARG A 61 9.452 4.956 13.590 1.00 22.04 H new ATOM 0 HE ARG A 61 9.447 3.745 16.122 1.00 1.23 H new ATOM 0 HH11 ARG A 61 7.380 3.562 13.274 1.00 11.11 H new ATOM 0 HH12 ARG A 61 6.986 1.866 13.573 1.00 11.11 H new ATOM 0 HH21 ARG A 61 8.934 1.644 16.432 1.00 61.21 H new ATOM 0 HH22 ARG A 61 7.845 0.809 15.319 1.00 61.21 H new ATOM 1069 N LYS A 62 7.941 9.963 16.234 1.00 31.13 N ATOM 1070 CA LYS A 62 7.495 10.601 17.492 1.00 74.23 C ATOM 1071 C LYS A 62 5.949 10.705 17.555 1.00 20.35 C ATOM 1072 O LYS A 62 5.330 11.351 16.703 1.00 55.12 O ATOM 1073 CB LYS A 62 8.129 12.009 17.643 1.00 3.11 C ATOM 1074 CG LYS A 62 9.672 12.034 17.735 1.00 53.02 C ATOM 1075 CD LYS A 62 10.231 11.262 18.957 1.00 62.22 C ATOM 1076 CE LYS A 62 11.750 11.457 19.131 1.00 24.24 C ATOM 1077 NZ LYS A 62 12.522 11.050 17.926 1.00 32.43 N ATOM 0 H LYS A 62 8.482 10.582 15.630 1.00 31.13 H new ATOM 0 HA LYS A 62 7.827 9.971 18.317 1.00 74.23 H new ATOM 0 HB2 LYS A 62 7.822 12.620 16.794 1.00 3.11 H new ATOM 0 HB3 LYS A 62 7.721 12.479 18.538 1.00 3.11 H new ATOM 0 HG2 LYS A 62 10.089 11.607 16.823 1.00 53.02 H new ATOM 0 HG3 LYS A 62 10.008 13.070 17.785 1.00 53.02 H new ATOM 0 HD2 LYS A 62 9.719 11.596 19.859 1.00 62.22 H new ATOM 0 HD3 LYS A 62 10.015 10.200 18.842 1.00 62.22 H new ATOM 0 HE2 LYS A 62 11.955 12.504 19.352 1.00 24.24 H new ATOM 0 HE3 LYS A 62 12.091 10.877 19.989 1.00 24.24 H new ATOM 0 HZ1 LYS A 62 13.540 11.137 18.120 1.00 32.43 H new ATOM 0 HZ2 LYS A 62 12.298 10.063 17.688 1.00 32.43 H new ATOM 0 HZ3 LYS A 62 12.268 11.665 17.127 1.00 32.43 H new ATOM 1091 N GLN A 63 5.357 10.069 18.580 1.00 13.21 N ATOM 1092 CA GLN A 63 3.888 9.983 18.764 1.00 2.13 C ATOM 1093 C GLN A 63 3.260 11.361 19.079 1.00 5.03 C ATOM 1094 O GLN A 63 2.196 11.710 18.547 1.00 21.35 O ATOM 1095 CB GLN A 63 3.575 8.970 19.898 1.00 61.24 C ATOM 1096 CG GLN A 63 4.026 7.517 19.621 1.00 73.01 C ATOM 1097 CD GLN A 63 3.459 6.946 18.316 1.00 42.22 C ATOM 1098 OE1 GLN A 63 4.096 6.996 17.267 1.00 1.23 O ATOM 1099 NE2 GLN A 63 2.244 6.436 18.367 1.00 32.13 N ATOM 0 H GLN A 63 5.884 9.594 19.313 1.00 13.21 H new ATOM 0 HA GLN A 63 3.446 9.641 17.828 1.00 2.13 H new ATOM 0 HB2 GLN A 63 4.054 9.314 20.814 1.00 61.24 H new ATOM 0 HB3 GLN A 63 2.500 8.972 20.080 1.00 61.24 H new ATOM 0 HG2 GLN A 63 5.115 7.483 19.582 1.00 73.01 H new ATOM 0 HG3 GLN A 63 3.717 6.883 20.452 1.00 73.01 H new ATOM 0 HE21 GLN A 63 1.739 6.408 19.253 1.00 32.13 H new ATOM 0 HE22 GLN A 63 1.809 6.069 17.520 1.00 32.13 H new ATOM 1108 N LEU A 64 3.940 12.121 19.953 1.00 62.14 N ATOM 1109 CA LEU A 64 3.569 13.515 20.310 1.00 72.13 C ATOM 1110 C LEU A 64 3.587 14.461 19.074 1.00 3.14 C ATOM 1111 O LEU A 64 2.827 15.436 19.022 1.00 72.14 O ATOM 1112 CB LEU A 64 4.544 14.028 21.412 1.00 25.34 C ATOM 1113 CG LEU A 64 4.347 15.499 21.921 1.00 15.22 C ATOM 1114 CD1 LEU A 64 2.989 15.686 22.639 1.00 75.22 C ATOM 1115 CD2 LEU A 64 5.530 15.936 22.821 1.00 72.31 C ATOM 0 H LEU A 64 4.772 11.789 20.441 1.00 62.14 H new ATOM 0 HA LEU A 64 2.546 13.516 20.687 1.00 72.13 H new ATOM 0 HB2 LEU A 64 4.464 13.361 22.270 1.00 25.34 H new ATOM 0 HB3 LEU A 64 5.561 13.936 21.031 1.00 25.34 H new ATOM 0 HG LEU A 64 4.333 16.149 21.046 1.00 15.22 H new ATOM 0 HD11 LEU A 64 2.894 16.719 22.975 1.00 75.22 H new ATOM 0 HD12 LEU A 64 2.178 15.453 21.949 1.00 75.22 H new ATOM 0 HD13 LEU A 64 2.937 15.018 23.499 1.00 75.22 H new ATOM 0 HD21 LEU A 64 5.370 16.959 23.161 1.00 72.31 H new ATOM 0 HD22 LEU A 64 5.595 15.273 23.684 1.00 72.31 H new ATOM 0 HD23 LEU A 64 6.458 15.884 22.252 1.00 72.31 H new ATOM 1127 N SER A 65 4.443 14.143 18.076 1.00 25.02 N ATOM 1128 CA SER A 65 4.608 14.954 16.847 1.00 71.02 C ATOM 1129 C SER A 65 3.473 14.682 15.815 1.00 12.52 C ATOM 1130 O SER A 65 3.687 14.012 14.801 1.00 1.34 O ATOM 1131 CB SER A 65 6.005 14.696 16.217 1.00 5.45 C ATOM 1132 OG SER A 65 6.214 15.469 15.040 1.00 51.33 O ATOM 0 H SER A 65 5.040 13.316 18.100 1.00 25.02 H new ATOM 0 HA SER A 65 4.538 16.005 17.129 1.00 71.02 H new ATOM 0 HB2 SER A 65 6.780 14.931 16.947 1.00 5.45 H new ATOM 0 HB3 SER A 65 6.104 13.637 15.977 1.00 5.45 H new ATOM 0 HG SER A 65 6.991 16.053 15.166 1.00 51.33 H new ATOM 1138 N SER A 66 2.261 15.192 16.134 1.00 13.33 N ATOM 1139 CA SER A 66 1.061 15.173 15.250 1.00 31.00 C ATOM 1140 C SER A 66 0.585 13.741 14.854 1.00 51.21 C ATOM 1141 O SER A 66 1.189 13.086 14.001 1.00 51.44 O ATOM 1142 CB SER A 66 1.295 16.047 13.987 1.00 51.50 C ATOM 1143 OG SER A 66 0.136 16.119 13.162 1.00 55.34 O ATOM 0 H SER A 66 2.081 15.640 17.033 1.00 13.33 H new ATOM 0 HA SER A 66 0.250 15.600 15.840 1.00 31.00 H new ATOM 0 HB2 SER A 66 1.586 17.052 14.291 1.00 51.50 H new ATOM 0 HB3 SER A 66 2.124 15.636 13.411 1.00 51.50 H new ATOM 0 HG SER A 66 0.325 16.679 12.380 1.00 55.34 H new ATOM 1149 N GLU A 67 -0.519 13.277 15.474 1.00 53.33 N ATOM 1150 CA GLU A 67 -1.148 11.976 15.144 1.00 61.11 C ATOM 1151 C GLU A 67 -2.660 12.011 15.469 1.00 52.00 C ATOM 1152 O GLU A 67 -3.076 12.604 16.477 1.00 70.01 O ATOM 1153 CB GLU A 67 -0.444 10.816 15.908 1.00 10.42 C ATOM 1154 CG GLU A 67 -0.984 9.404 15.578 1.00 35.30 C ATOM 1155 CD GLU A 67 -0.231 8.279 16.308 1.00 13.22 C ATOM 1156 OE1 GLU A 67 0.827 7.836 15.812 1.00 61.41 O ATOM 1157 OE2 GLU A 67 -0.700 7.832 17.377 1.00 64.22 O ATOM 0 H GLU A 67 -1.000 13.788 16.214 1.00 53.33 H new ATOM 0 HA GLU A 67 -1.031 11.796 14.075 1.00 61.11 H new ATOM 0 HB2 GLU A 67 0.622 10.845 15.682 1.00 10.42 H new ATOM 0 HB3 GLU A 67 -0.548 10.989 16.979 1.00 10.42 H new ATOM 0 HG2 GLU A 67 -2.040 9.356 15.842 1.00 35.30 H new ATOM 0 HG3 GLU A 67 -0.916 9.239 14.503 1.00 35.30 H new ATOM 1164 N LEU A 68 -3.466 11.387 14.590 1.00 62.42 N ATOM 1165 CA LEU A 68 -4.945 11.343 14.697 1.00 42.43 C ATOM 1166 C LEU A 68 -5.435 10.675 16.019 1.00 1.11 C ATOM 1167 O LEU A 68 -5.049 9.543 16.342 1.00 20.04 O ATOM 1168 CB LEU A 68 -5.585 10.639 13.449 1.00 1.20 C ATOM 1169 CG LEU A 68 -5.312 9.102 13.211 1.00 13.12 C ATOM 1170 CD1 LEU A 68 -6.239 8.548 12.104 1.00 53.14 C ATOM 1171 CD2 LEU A 68 -3.834 8.803 12.868 1.00 31.00 C ATOM 0 H LEU A 68 -3.108 10.891 13.773 1.00 62.42 H new ATOM 0 HA LEU A 68 -5.282 12.379 14.721 1.00 42.43 H new ATOM 0 HB2 LEU A 68 -6.665 10.775 13.513 1.00 1.20 H new ATOM 0 HB3 LEU A 68 -5.248 11.174 12.561 1.00 1.20 H new ATOM 0 HG LEU A 68 -5.531 8.598 14.152 1.00 13.12 H new ATOM 0 HD11 LEU A 68 -6.035 7.488 11.955 1.00 53.14 H new ATOM 0 HD12 LEU A 68 -7.279 8.679 12.401 1.00 53.14 H new ATOM 0 HD13 LEU A 68 -6.057 9.086 11.174 1.00 53.14 H new ATOM 0 HD21 LEU A 68 -3.706 7.731 12.715 1.00 31.00 H new ATOM 0 HD22 LEU A 68 -3.557 9.335 11.958 1.00 31.00 H new ATOM 0 HD23 LEU A 68 -3.196 9.131 13.689 1.00 31.00 H new ATOM 1183 N GLY A 69 -6.281 11.409 16.772 1.00 13.13 N ATOM 1184 CA GLY A 69 -6.850 10.926 18.045 1.00 54.45 C ATOM 1185 C GLY A 69 -7.454 12.049 18.884 1.00 2.13 C ATOM 1186 O GLY A 69 -6.754 12.931 19.390 1.00 75.44 O ATOM 0 H GLY A 69 -6.587 12.348 16.515 1.00 13.13 H new ATOM 0 HA2 GLY A 69 -7.618 10.181 17.836 1.00 54.45 H new ATOM 0 HA3 GLY A 69 -6.070 10.427 18.621 1.00 54.45 H new TER 1190 GLY A 69