USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1018 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 51 THR OG1 : rot 73:sc= 0.581 USER MOD Set 1.2: A 97 MET CE :methyl 133:sc= -1.36 (180deg=-1.92) USER MOD Set 2.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 13 SER OG : rot 79:sc= 1.01 USER MOD Set 3.2: A 32 THR OG1 : rot -150:sc= 0.973 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.695 K(o=-0.7,f=-2.9) USER MOD Single : A 4 SER OG : rot 33:sc= 0.208 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -1.13 K(o=-1.1,f=-3.3!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 44:sc= 0.0318 USER MOD Single : A 36 LYS NZ :NH3+ -117:sc= 0.96 (180deg=-1.72) USER MOD Single : A 38 HIS : no HD1:sc= -5.09! C(o=-5.1!,f=-5.1!) USER MOD Single : A 43 SER OG : rot 180:sc= -0.422 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -6.68 K(o=-6.7,f=-14!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0104 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 151:sc= -7.91! (180deg=-11!) USER MOD Single : A 59 MET CE :methyl 158:sc= -5.51! (180deg=-6.96!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -28:sc= 0.0117 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -112:sc= -0.446 (180deg=-3.4!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.397 X(o=-0.4,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc=-9.29e-05 K(o=-9.3e-05,f=-1.2) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 88 MET CE :methyl -133:sc= -1.61 (180deg=-6.46!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.0907 K(o=-0.091,f=-1.8) USER MOD Single : A 93 ASN : amide:sc= -0.67 K(o=-0.67,f=-1.2) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0629 USER MOD Single : A 99 ASN : amide:sc= -2.41 X(o=-2.4,f=-2.3) USER MOD Single : A 101 LYS NZ :NH3+ 160:sc= -0.0208 (180deg=-0.262) USER MOD Single : A 102 MET CE :methyl -158:sc= -2.39 (180deg=-3.23!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.422 X(o=-0.42,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 109 SER OG : rot 84:sc= 0.412 USER MOD Single : A 111 TYR OH : rot 165:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 136:sc= 1.26 (180deg=-0.891) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -14.219 -4.625 11.378 1.00 0.00 N ATOM 2 CA PRO A 1 -13.360 -4.766 10.185 1.00 0.00 C ATOM 3 C PRO A 1 -11.908 -4.398 10.483 1.00 0.00 C ATOM 4 O PRO A 1 -11.254 -3.717 9.693 1.00 0.00 O ATOM 5 CB PRO A 1 -13.945 -3.850 9.117 1.00 0.00 C ATOM 6 CG PRO A 1 -14.893 -2.958 9.862 1.00 0.00 C ATOM 7 CD PRO A 1 -15.336 -3.710 11.101 1.00 0.00 C ATOM 0 H2 PRO A 1 -13.669 -4.272 12.161 1.00 0.00 H new ATOM 0 H3 PRO A 1 -14.580 -5.538 11.654 1.00 0.00 H new ATOM 0 HA PRO A 1 -13.344 -5.803 9.851 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -13.166 -3.273 8.619 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -14.461 -4.420 8.345 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -14.407 -2.021 10.134 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -15.751 -2.703 9.240 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -15.515 -3.033 11.937 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -16.264 -4.254 10.927 1.00 0.00 H new ATOM 17 N SER A 2 -11.410 -4.851 11.630 1.00 0.00 N ATOM 18 CA SER A 2 -10.038 -4.569 12.033 1.00 0.00 C ATOM 19 C SER A 2 -9.109 -5.712 11.635 1.00 0.00 C ATOM 20 O SER A 2 -9.405 -6.881 11.883 1.00 0.00 O ATOM 21 CB SER A 2 -9.966 -4.344 13.544 1.00 0.00 C ATOM 22 OG SER A 2 -10.860 -3.321 13.951 1.00 0.00 O ATOM 0 H SER A 2 -11.937 -5.415 12.296 1.00 0.00 H new ATOM 0 HA SER A 2 -9.713 -3.664 11.520 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.208 -5.271 14.065 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.948 -4.075 13.827 1.00 0.00 H new ATOM 0 HG SER A 2 -10.796 -3.198 14.921 1.00 0.00 H new ATOM 28 N HIS A 3 -7.981 -5.365 11.022 1.00 0.00 N ATOM 29 CA HIS A 3 -7.003 -6.360 10.594 1.00 0.00 C ATOM 30 C HIS A 3 -7.585 -7.271 9.520 1.00 0.00 C ATOM 31 O HIS A 3 -7.204 -8.436 9.397 1.00 0.00 O ATOM 32 CB HIS A 3 -6.531 -7.178 11.793 1.00 0.00 C ATOM 33 CG HIS A 3 -6.145 -6.324 12.957 1.00 0.00 C ATOM 34 ND1 HIS A 3 -7.058 -5.844 13.871 1.00 0.00 N ATOM 35 CD2 HIS A 3 -4.941 -5.842 13.342 1.00 0.00 C ATOM 36 CE1 HIS A 3 -6.435 -5.101 14.765 1.00 0.00 C ATOM 37 NE2 HIS A 3 -5.148 -5.084 14.468 1.00 0.00 N ATOM 0 H HIS A 3 -7.721 -4.402 10.810 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.148 -5.840 10.163 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.324 -7.862 12.096 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.678 -7.790 11.498 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.994 -6.020 12.855 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.898 -4.593 15.598 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.425 -4.588 14.990 1.00 0.00 H new ATOM 46 N SER A 4 -8.495 -6.713 8.734 1.00 0.00 N ATOM 47 CA SER A 4 -9.137 -7.437 7.641 1.00 0.00 C ATOM 48 C SER A 4 -10.220 -6.586 6.998 1.00 0.00 C ATOM 49 O SER A 4 -11.115 -6.080 7.674 1.00 0.00 O ATOM 50 CB SER A 4 -9.742 -8.761 8.111 1.00 0.00 C ATOM 51 OG SER A 4 -10.753 -8.548 9.080 1.00 0.00 O ATOM 0 H SER A 4 -8.810 -5.748 8.834 1.00 0.00 H new ATOM 0 HA SER A 4 -8.362 -7.658 6.907 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.159 -9.296 7.258 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.959 -9.392 8.531 1.00 0.00 H new ATOM 0 HG SER A 4 -11.212 -7.702 8.893 1.00 0.00 H new ATOM 57 N GLY A 5 -10.132 -6.436 5.686 1.00 0.00 N ATOM 58 CA GLY A 5 -11.105 -5.651 4.961 1.00 0.00 C ATOM 59 C GLY A 5 -11.059 -5.929 3.476 1.00 0.00 C ATOM 60 O GLY A 5 -10.091 -5.569 2.806 1.00 0.00 O ATOM 0 H GLY A 5 -9.399 -6.847 5.108 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.103 -5.869 5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.921 -4.591 5.138 1.00 0.00 H new ATOM 64 N ALA A 6 -12.103 -6.580 2.965 1.00 0.00 N ATOM 65 CA ALA A 6 -12.187 -6.923 1.544 1.00 0.00 C ATOM 66 C ALA A 6 -11.512 -5.863 0.678 1.00 0.00 C ATOM 67 O ALA A 6 -11.931 -4.705 0.657 1.00 0.00 O ATOM 68 CB ALA A 6 -13.638 -7.108 1.134 1.00 0.00 C ATOM 0 H ALA A 6 -12.906 -6.882 3.516 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.657 -7.863 1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.687 -7.363 0.075 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.083 -7.911 1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.187 -6.183 1.311 1.00 0.00 H new ATOM 74 N ALA A 7 -10.452 -6.263 -0.014 1.00 0.00 N ATOM 75 CA ALA A 7 -9.704 -5.332 -0.859 1.00 0.00 C ATOM 76 C ALA A 7 -9.407 -5.919 -2.236 1.00 0.00 C ATOM 77 O ALA A 7 -9.280 -7.131 -2.391 1.00 0.00 O ATOM 78 CB ALA A 7 -8.405 -4.936 -0.169 1.00 0.00 C ATOM 0 H ALA A 7 -10.091 -7.217 -0.009 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.326 -4.449 -1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.853 -4.243 -0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.631 -4.456 0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.801 -5.826 0.008 1.00 0.00 H new ATOM 84 N ILE A 8 -9.279 -5.046 -3.233 1.00 0.00 N ATOM 85 CA ILE A 8 -8.978 -5.485 -4.590 1.00 0.00 C ATOM 86 C ILE A 8 -7.491 -5.359 -4.874 1.00 0.00 C ATOM 87 O ILE A 8 -6.905 -4.288 -4.725 1.00 0.00 O ATOM 88 CB ILE A 8 -9.778 -4.689 -5.649 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.166 -5.302 -5.817 1.00 0.00 C ATOM 90 CG2 ILE A 8 -9.058 -4.643 -6.992 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.275 -4.390 -5.374 1.00 0.00 C ATOM 0 H ILE A 8 -9.379 -4.037 -3.126 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.275 -6.531 -4.660 1.00 0.00 H new ATOM 0 HB ILE A 8 -9.871 -3.663 -5.294 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.316 -5.563 -6.865 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.218 -6.229 -5.247 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.655 -4.075 -7.705 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.087 -4.164 -6.868 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.917 -5.658 -7.364 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.234 -4.886 -5.520 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.148 -4.149 -4.319 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.248 -3.472 -5.962 1.00 0.00 H new ATOM 103 N PHE A 9 -6.895 -6.461 -5.289 1.00 0.00 N ATOM 104 CA PHE A 9 -5.470 -6.476 -5.604 1.00 0.00 C ATOM 105 C PHE A 9 -5.242 -6.789 -7.078 1.00 0.00 C ATOM 106 O PHE A 9 -5.768 -7.769 -7.602 1.00 0.00 O ATOM 107 CB PHE A 9 -4.738 -7.496 -4.734 1.00 0.00 C ATOM 108 CG PHE A 9 -3.243 -7.370 -4.796 1.00 0.00 C ATOM 109 CD1 PHE A 9 -2.620 -6.179 -4.459 1.00 0.00 C ATOM 110 CD2 PHE A 9 -2.460 -8.442 -5.194 1.00 0.00 C ATOM 111 CE1 PHE A 9 -1.246 -6.059 -4.516 1.00 0.00 C ATOM 112 CE2 PHE A 9 -1.083 -8.327 -5.255 1.00 0.00 C ATOM 113 CZ PHE A 9 -0.475 -7.135 -4.916 1.00 0.00 C ATOM 0 H PHE A 9 -7.368 -7.355 -5.417 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.070 -5.484 -5.395 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.062 -7.380 -3.700 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.024 -8.500 -5.046 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.217 -5.334 -4.148 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.930 -9.377 -5.459 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.774 -5.125 -4.248 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.484 -9.169 -5.568 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.600 -7.043 -4.963 1.00 0.00 H new ATOM 123 N GLU A 10 -4.455 -5.950 -7.744 1.00 0.00 N ATOM 124 CA GLU A 10 -4.163 -6.143 -9.159 1.00 0.00 C ATOM 125 C GLU A 10 -5.443 -6.130 -9.979 1.00 0.00 C ATOM 126 O GLU A 10 -5.561 -6.846 -10.973 1.00 0.00 O ATOM 127 CB GLU A 10 -3.421 -7.461 -9.372 1.00 0.00 C ATOM 128 CG GLU A 10 -2.139 -7.570 -8.565 1.00 0.00 C ATOM 129 CD GLU A 10 -1.382 -8.856 -8.836 1.00 0.00 C ATOM 130 OE1 GLU A 10 -1.961 -9.765 -9.470 1.00 0.00 O ATOM 131 OE2 GLU A 10 -0.210 -8.956 -8.415 1.00 0.00 O ATOM 0 H GLU A 10 -4.009 -5.132 -7.328 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.529 -5.321 -9.491 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.080 -8.287 -9.106 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.185 -7.569 -10.431 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.497 -6.720 -8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.377 -7.511 -7.503 1.00 0.00 H new ATOM 138 N LYS A 11 -6.413 -5.326 -9.543 1.00 0.00 N ATOM 139 CA LYS A 11 -7.698 -5.238 -10.227 1.00 0.00 C ATOM 140 C LYS A 11 -8.546 -6.465 -9.913 1.00 0.00 C ATOM 141 O LYS A 11 -9.668 -6.601 -10.402 1.00 0.00 O ATOM 142 CB LYS A 11 -7.509 -5.100 -11.742 1.00 0.00 C ATOM 143 CG LYS A 11 -6.459 -4.073 -12.133 1.00 0.00 C ATOM 144 CD LYS A 11 -6.434 -3.847 -13.635 1.00 0.00 C ATOM 145 CE LYS A 11 -5.327 -2.885 -14.035 1.00 0.00 C ATOM 146 NZ LYS A 11 -5.587 -2.260 -15.360 1.00 0.00 N ATOM 0 H LYS A 11 -6.331 -4.728 -8.721 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.213 -4.347 -9.867 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.229 -6.069 -12.155 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.461 -4.824 -12.195 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.664 -3.130 -11.625 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.478 -4.409 -11.798 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.292 -4.800 -14.145 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.396 -3.452 -13.961 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.232 -2.106 -13.279 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.376 -3.418 -14.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.809 -1.611 -15.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.652 -3.001 -16.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.481 -1.730 -15.324 1.00 0.00 H new ATOM 160 N VAL A 12 -8.010 -7.352 -9.072 1.00 0.00 N ATOM 161 CA VAL A 12 -8.719 -8.549 -8.673 1.00 0.00 C ATOM 162 C VAL A 12 -9.306 -8.351 -7.301 1.00 0.00 C ATOM 163 O VAL A 12 -8.788 -7.582 -6.496 1.00 0.00 O ATOM 164 CB VAL A 12 -7.804 -9.788 -8.669 1.00 0.00 C ATOM 165 CG1 VAL A 12 -8.446 -10.951 -7.916 1.00 0.00 C ATOM 166 CG2 VAL A 12 -7.501 -10.181 -10.095 1.00 0.00 C ATOM 0 H VAL A 12 -7.083 -7.255 -8.658 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.511 -8.725 -9.401 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.877 -9.540 -8.152 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.775 -11.810 -7.932 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.634 -10.656 -6.884 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.388 -11.218 -8.394 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.853 -11.058 -10.101 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.431 -10.413 -10.614 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.999 -9.356 -10.601 1.00 0.00 H new ATOM 176 N SER A 13 -10.389 -9.039 -7.037 1.00 0.00 N ATOM 177 CA SER A 13 -11.040 -8.910 -5.749 1.00 0.00 C ATOM 178 C SER A 13 -10.509 -9.924 -4.753 1.00 0.00 C ATOM 179 O SER A 13 -10.146 -11.045 -5.111 1.00 0.00 O ATOM 180 CB SER A 13 -12.544 -9.045 -5.887 1.00 0.00 C ATOM 181 OG SER A 13 -12.905 -10.312 -6.410 1.00 0.00 O ATOM 0 H SER A 13 -10.837 -9.687 -7.685 1.00 0.00 H new ATOM 0 HA SER A 13 -10.813 -7.914 -5.368 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.014 -8.904 -4.914 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.923 -8.259 -6.540 1.00 0.00 H new ATOM 0 HG SER A 13 -12.861 -10.984 -5.698 1.00 0.00 H new ATOM 187 N GLY A 14 -10.459 -9.507 -3.499 1.00 0.00 N ATOM 188 CA GLY A 14 -9.967 -10.361 -2.445 1.00 0.00 C ATOM 189 C GLY A 14 -10.071 -9.697 -1.095 1.00 0.00 C ATOM 190 O GLY A 14 -10.543 -8.570 -0.985 1.00 0.00 O ATOM 0 H GLY A 14 -10.755 -8.580 -3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.533 -11.292 -2.437 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.927 -10.622 -2.643 1.00 0.00 H new ATOM 194 N ILE A 15 -9.629 -10.394 -0.066 1.00 0.00 N ATOM 195 CA ILE A 15 -9.669 -9.862 1.280 1.00 0.00 C ATOM 196 C ILE A 15 -8.286 -9.450 1.721 1.00 0.00 C ATOM 197 O ILE A 15 -7.316 -10.179 1.519 1.00 0.00 O ATOM 198 CB ILE A 15 -10.222 -10.890 2.285 1.00 0.00 C ATOM 199 CG1 ILE A 15 -11.462 -11.562 1.693 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.521 -10.229 3.633 1.00 0.00 C ATOM 201 CD1 ILE A 15 -12.715 -10.720 1.740 1.00 0.00 C ATOM 0 H ILE A 15 -9.237 -11.333 -0.138 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.333 -8.998 1.263 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.470 -11.657 2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -11.256 -11.826 0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.645 -12.493 2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.910 -10.975 4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.605 -9.800 4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -11.261 -9.441 3.495 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.543 -11.275 1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.951 -10.477 2.776 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.556 -9.799 1.179 1.00 0.00 H new ATOM 213 N ILE A 16 -8.198 -8.294 2.343 1.00 0.00 N ATOM 214 CA ILE A 16 -6.930 -7.809 2.830 1.00 0.00 C ATOM 215 C ILE A 16 -6.927 -7.947 4.340 1.00 0.00 C ATOM 216 O ILE A 16 -7.760 -7.362 5.027 1.00 0.00 O ATOM 217 CB ILE A 16 -6.692 -6.334 2.407 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.546 -6.245 1.397 1.00 0.00 C ATOM 219 CG2 ILE A 16 -6.414 -5.436 3.599 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.229 -4.829 0.964 1.00 0.00 C ATOM 0 H ILE A 16 -8.989 -7.675 2.522 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.119 -8.395 2.398 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.610 -5.980 1.938 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.652 -6.691 1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.801 -6.837 0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.254 -4.414 3.255 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.265 -5.461 4.279 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.523 -5.788 4.119 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.407 -4.843 0.248 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.109 -4.386 0.498 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.943 -4.238 1.834 1.00 0.00 H new ATOM 232 N ALA A 17 -6.010 -8.752 4.847 1.00 0.00 N ATOM 233 CA ALA A 17 -5.933 -8.997 6.275 1.00 0.00 C ATOM 234 C ALA A 17 -4.551 -8.668 6.820 1.00 0.00 C ATOM 235 O ALA A 17 -3.532 -9.036 6.237 1.00 0.00 O ATOM 236 CB ALA A 17 -6.320 -10.438 6.569 1.00 0.00 C ATOM 0 H ALA A 17 -5.310 -9.246 4.292 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.637 -8.338 6.782 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.261 -10.619 7.642 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.339 -10.618 6.226 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.638 -11.111 6.050 1.00 0.00 H new ATOM 242 N ILE A 18 -4.536 -7.952 7.936 1.00 0.00 N ATOM 243 CA ILE A 18 -3.295 -7.539 8.570 1.00 0.00 C ATOM 244 C ILE A 18 -3.016 -8.355 9.830 1.00 0.00 C ATOM 245 O ILE A 18 -3.925 -8.654 10.603 1.00 0.00 O ATOM 246 CB ILE A 18 -3.353 -6.034 8.913 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.356 -5.209 7.624 1.00 0.00 C ATOM 248 CG2 ILE A 18 -2.196 -5.628 9.814 1.00 0.00 C ATOM 249 CD1 ILE A 18 -3.776 -3.771 7.823 1.00 0.00 C ATOM 0 H ILE A 18 -5.378 -7.644 8.423 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.481 -7.718 7.868 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.275 -5.839 9.460 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.357 -5.229 7.188 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.027 -5.678 6.905 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.265 -4.563 10.037 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.241 -6.197 10.742 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.252 -5.832 9.308 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.754 -3.250 6.866 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.787 -3.740 8.230 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.091 -3.285 8.517 1.00 0.00 H new ATOM 261 N ASN A 19 -1.752 -8.712 10.027 1.00 0.00 N ATOM 262 CA ASN A 19 -1.350 -9.493 11.191 1.00 0.00 C ATOM 263 C ASN A 19 -0.138 -8.867 11.872 1.00 0.00 C ATOM 264 O ASN A 19 0.950 -8.809 11.296 1.00 0.00 O ATOM 265 CB ASN A 19 -1.030 -10.932 10.781 1.00 0.00 C ATOM 266 CG ASN A 19 -2.255 -11.682 10.296 1.00 0.00 C ATOM 267 OD1 ASN A 19 -3.360 -11.138 10.269 1.00 0.00 O ATOM 268 ND2 ASN A 19 -2.065 -12.937 9.910 1.00 0.00 N ATOM 0 H ASN A 19 -0.988 -8.473 9.395 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.180 -9.500 11.897 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.277 -10.923 9.993 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.596 -11.461 11.630 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -2.852 -13.492 9.574 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.132 -13.347 9.949 1.00 0.00 H new ATOM 275 N GLU A 20 -0.332 -8.399 13.100 1.00 0.00 N ATOM 276 CA GLU A 20 0.746 -7.779 13.860 1.00 0.00 C ATOM 277 C GLU A 20 1.463 -8.799 14.742 1.00 0.00 C ATOM 278 O GLU A 20 2.348 -8.445 15.521 1.00 0.00 O ATOM 279 CB GLU A 20 0.202 -6.636 14.720 1.00 0.00 C ATOM 280 CG GLU A 20 -0.491 -5.549 13.917 1.00 0.00 C ATOM 281 CD GLU A 20 -0.955 -4.392 14.781 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.978 -4.548 15.482 1.00 0.00 O ATOM 283 OE2 GLU A 20 -0.297 -3.331 14.756 1.00 0.00 O ATOM 0 H GLU A 20 -1.226 -8.437 13.590 1.00 0.00 H new ATOM 0 HA GLU A 20 1.468 -7.380 13.147 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.500 -7.042 15.448 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.024 -6.193 15.283 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.191 -5.176 13.153 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.349 -5.977 13.398 1.00 0.00 H new ATOM 290 N ASP A 21 1.089 -10.068 14.607 1.00 0.00 N ATOM 291 CA ASP A 21 1.711 -11.132 15.382 1.00 0.00 C ATOM 292 C ASP A 21 3.057 -11.511 14.778 1.00 0.00 C ATOM 293 O ASP A 21 3.892 -12.137 15.431 1.00 0.00 O ATOM 294 CB ASP A 21 0.799 -12.357 15.426 1.00 0.00 C ATOM 295 CG ASP A 21 1.278 -13.402 16.415 1.00 0.00 C ATOM 296 OD1 ASP A 21 2.133 -13.070 17.263 1.00 0.00 O ATOM 297 OD2 ASP A 21 0.800 -14.554 16.341 1.00 0.00 O ATOM 0 H ASP A 21 0.359 -10.382 13.968 1.00 0.00 H new ATOM 0 HA ASP A 21 1.870 -10.771 16.398 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.211 -12.045 15.693 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.743 -12.801 14.432 1.00 0.00 H new ATOM 302 N VAL A 22 3.259 -11.125 13.520 1.00 0.00 N ATOM 303 CA VAL A 22 4.494 -11.418 12.817 1.00 0.00 C ATOM 304 C VAL A 22 5.404 -10.195 12.785 1.00 0.00 C ATOM 305 O VAL A 22 4.934 -9.065 12.663 1.00 0.00 O ATOM 306 CB VAL A 22 4.223 -11.877 11.371 1.00 0.00 C ATOM 307 CG1 VAL A 22 4.108 -13.391 11.301 1.00 0.00 C ATOM 308 CG2 VAL A 22 2.974 -11.212 10.807 1.00 0.00 C ATOM 0 H VAL A 22 2.576 -10.606 12.969 1.00 0.00 H new ATOM 0 HA VAL A 22 4.986 -12.225 13.360 1.00 0.00 H new ATOM 0 HB VAL A 22 5.069 -11.569 10.757 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.917 -13.694 10.272 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.038 -13.843 11.645 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.286 -13.723 11.936 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.809 -11.555 9.786 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.113 -11.474 11.422 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.105 -10.130 10.809 1.00 0.00 H new ATOM 318 N SER A 23 6.708 -10.425 12.893 1.00 0.00 N ATOM 319 CA SER A 23 7.674 -9.337 12.873 1.00 0.00 C ATOM 320 C SER A 23 8.619 -9.469 11.676 1.00 0.00 C ATOM 321 O SER A 23 9.335 -10.463 11.553 1.00 0.00 O ATOM 322 CB SER A 23 8.474 -9.323 14.170 1.00 0.00 C ATOM 323 OG SER A 23 7.634 -9.094 15.288 1.00 0.00 O ATOM 0 H SER A 23 7.118 -11.353 12.995 1.00 0.00 H new ATOM 0 HA SER A 23 7.129 -8.398 12.779 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.993 -10.274 14.290 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.238 -8.547 14.121 1.00 0.00 H new ATOM 0 HG SER A 23 8.173 -9.092 16.107 1.00 0.00 H new ATOM 329 N PRO A 24 8.639 -8.466 10.775 1.00 0.00 N ATOM 330 CA PRO A 24 7.809 -7.269 10.879 1.00 0.00 C ATOM 331 C PRO A 24 6.377 -7.533 10.430 1.00 0.00 C ATOM 332 O PRO A 24 6.147 -8.258 9.463 1.00 0.00 O ATOM 333 CB PRO A 24 8.488 -6.261 9.938 1.00 0.00 C ATOM 334 CG PRO A 24 9.682 -6.956 9.360 1.00 0.00 C ATOM 335 CD PRO A 24 9.477 -8.428 9.575 1.00 0.00 C ATOM 0 HA PRO A 24 7.735 -6.915 11.907 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.804 -5.945 9.150 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.786 -5.364 10.481 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.783 -6.731 8.298 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.598 -6.619 9.846 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.985 -8.897 8.723 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.422 -8.951 9.725 1.00 0.00 H new ATOM 343 N ALA A 25 5.417 -6.940 11.138 1.00 0.00 N ATOM 344 CA ALA A 25 4.002 -7.112 10.806 1.00 0.00 C ATOM 345 C ALA A 25 3.777 -7.009 9.301 1.00 0.00 C ATOM 346 O ALA A 25 4.364 -6.157 8.635 1.00 0.00 O ATOM 347 CB ALA A 25 3.154 -6.084 11.540 1.00 0.00 C ATOM 0 H ALA A 25 5.591 -6.338 11.943 1.00 0.00 H new ATOM 0 HA ALA A 25 3.699 -8.108 11.127 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.105 -6.226 11.281 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.283 -6.207 12.615 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.466 -5.081 11.250 1.00 0.00 H new ATOM 353 N GLU A 26 2.941 -7.893 8.767 1.00 0.00 N ATOM 354 CA GLU A 26 2.667 -7.901 7.335 1.00 0.00 C ATOM 355 C GLU A 26 1.170 -7.927 7.044 1.00 0.00 C ATOM 356 O GLU A 26 0.356 -8.223 7.919 1.00 0.00 O ATOM 357 CB GLU A 26 3.337 -9.112 6.681 1.00 0.00 C ATOM 358 CG GLU A 26 4.822 -9.225 6.985 1.00 0.00 C ATOM 359 CD GLU A 26 5.508 -10.295 6.159 1.00 0.00 C ATOM 360 OE1 GLU A 26 4.797 -11.105 5.527 1.00 0.00 O ATOM 361 OE2 GLU A 26 6.756 -10.325 6.145 1.00 0.00 O ATOM 0 H GLU A 26 2.445 -8.608 9.299 1.00 0.00 H new ATOM 0 HA GLU A 26 3.075 -6.981 6.917 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.836 -10.020 7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.199 -9.054 5.601 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.301 -8.264 6.798 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.956 -9.447 8.044 1.00 0.00 H new ATOM 368 N LEU A 27 0.828 -7.626 5.797 1.00 0.00 N ATOM 369 CA LEU A 27 -0.556 -7.623 5.347 1.00 0.00 C ATOM 370 C LEU A 27 -0.718 -8.608 4.197 1.00 0.00 C ATOM 371 O LEU A 27 0.017 -8.544 3.211 1.00 0.00 O ATOM 372 CB LEU A 27 -0.969 -6.217 4.905 1.00 0.00 C ATOM 373 CG LEU A 27 -2.366 -6.111 4.292 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.913 -4.700 4.454 1.00 0.00 C ATOM 375 CD2 LEU A 27 -2.335 -6.509 2.822 1.00 0.00 C ATOM 0 H LEU A 27 1.501 -7.378 5.072 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.201 -7.926 6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.917 -5.552 5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.242 -5.854 4.178 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.028 -6.798 4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.908 -4.642 4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.972 -4.452 5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.252 -3.994 3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.337 -6.428 2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.660 -5.847 2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.986 -7.537 2.731 1.00 0.00 H new ATOM 387 N THR A 28 -1.659 -9.535 4.332 1.00 0.00 N ATOM 388 CA THR A 28 -1.874 -10.543 3.304 1.00 0.00 C ATOM 389 C THR A 28 -3.224 -10.385 2.613 1.00 0.00 C ATOM 390 O THR A 28 -4.267 -10.313 3.264 1.00 0.00 O ATOM 391 CB THR A 28 -1.768 -11.943 3.913 1.00 0.00 C ATOM 392 OG1 THR A 28 -0.539 -12.099 4.597 1.00 0.00 O ATOM 393 CG2 THR A 28 -1.868 -13.050 2.886 1.00 0.00 C ATOM 0 H THR A 28 -2.281 -9.609 5.137 1.00 0.00 H new ATOM 0 HA THR A 28 -1.099 -10.405 2.550 1.00 0.00 H new ATOM 0 HB THR A 28 -2.613 -12.027 4.597 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.490 -12.999 4.981 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.785 -14.016 3.383 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.828 -12.986 2.374 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.062 -12.946 2.159 1.00 0.00 H new ATOM 401 N TRP A 29 -3.189 -10.358 1.284 1.00 0.00 N ATOM 402 CA TRP A 29 -4.385 -10.240 0.481 1.00 0.00 C ATOM 403 C TRP A 29 -4.786 -11.607 -0.057 1.00 0.00 C ATOM 404 O TRP A 29 -3.982 -12.297 -0.681 1.00 0.00 O ATOM 405 CB TRP A 29 -4.143 -9.288 -0.689 1.00 0.00 C ATOM 406 CG TRP A 29 -5.300 -9.225 -1.631 1.00 0.00 C ATOM 407 CD1 TRP A 29 -6.494 -8.630 -1.391 1.00 0.00 C ATOM 408 CD2 TRP A 29 -5.385 -9.796 -2.941 1.00 0.00 C ATOM 409 NE1 TRP A 29 -7.325 -8.775 -2.478 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.664 -9.490 -3.444 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.502 -10.528 -3.742 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.083 -9.893 -4.710 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -4.921 -10.928 -4.997 1.00 0.00 C ATOM 414 CH2 TRP A 29 -6.199 -10.609 -5.471 1.00 0.00 C ATOM 0 H TRP A 29 -2.328 -10.418 0.741 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.186 -9.845 1.106 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.940 -8.289 -0.303 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.254 -9.607 -1.233 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.755 -8.116 -0.478 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.275 -8.411 -2.553 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.513 -10.776 -3.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.069 -9.649 -5.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.250 -11.497 -5.623 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.494 -10.935 -6.458 1.00 0.00 H new ATOM 425 N ARG A 30 -6.029 -11.991 0.181 1.00 0.00 N ATOM 426 CA ARG A 30 -6.527 -13.278 -0.292 1.00 0.00 C ATOM 427 C ARG A 30 -7.777 -13.091 -1.141 1.00 0.00 C ATOM 428 O ARG A 30 -8.794 -12.605 -0.656 1.00 0.00 O ATOM 429 CB ARG A 30 -6.824 -14.201 0.893 1.00 0.00 C ATOM 430 CG ARG A 30 -7.347 -15.569 0.483 1.00 0.00 C ATOM 431 CD ARG A 30 -6.278 -16.387 -0.225 1.00 0.00 C ATOM 432 NE ARG A 30 -6.031 -17.662 0.445 1.00 0.00 N ATOM 433 CZ ARG A 30 -6.921 -18.648 0.512 1.00 0.00 C ATOM 434 NH1 ARG A 30 -8.117 -18.512 -0.047 1.00 0.00 N ATOM 435 NH2 ARG A 30 -6.615 -19.776 1.139 1.00 0.00 N ATOM 0 H ARG A 30 -6.711 -11.435 0.696 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.756 -13.738 -0.910 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.914 -14.330 1.479 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.556 -13.721 1.542 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.692 -16.107 1.366 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.208 -15.448 -0.174 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.585 -16.572 -1.254 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.352 -15.814 -0.267 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.123 -17.804 0.887 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.358 -17.647 -0.532 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.795 -19.272 0.008 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.697 -19.887 1.570 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.298 -20.532 1.190 1.00 0.00 H new ATOM 449 N SER A 31 -7.697 -13.482 -2.410 1.00 0.00 N ATOM 450 CA SER A 31 -8.830 -13.349 -3.327 1.00 0.00 C ATOM 451 C SER A 31 -10.127 -13.801 -2.659 1.00 0.00 C ATOM 452 O SER A 31 -10.105 -14.575 -1.702 1.00 0.00 O ATOM 453 CB SER A 31 -8.585 -14.174 -4.591 1.00 0.00 C ATOM 454 OG SER A 31 -9.725 -14.168 -5.433 1.00 0.00 O ATOM 0 H SER A 31 -6.862 -13.893 -2.828 1.00 0.00 H new ATOM 0 HA SER A 31 -8.927 -12.297 -3.596 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.728 -13.772 -5.131 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.337 -15.199 -4.317 1.00 0.00 H new ATOM 0 HG SER A 31 -10.084 -13.258 -5.491 1.00 0.00 H new ATOM 460 N THR A 32 -11.256 -13.318 -3.168 1.00 0.00 N ATOM 461 CA THR A 32 -12.552 -13.675 -2.623 1.00 0.00 C ATOM 462 C THR A 32 -12.792 -15.153 -2.841 1.00 0.00 C ATOM 463 O THR A 32 -13.334 -15.852 -1.985 1.00 0.00 O ATOM 464 CB THR A 32 -13.654 -12.859 -3.298 1.00 0.00 C ATOM 465 OG1 THR A 32 -13.100 -11.863 -4.139 1.00 0.00 O ATOM 466 CG2 THR A 32 -14.570 -12.167 -2.314 1.00 0.00 C ATOM 0 H THR A 32 -11.295 -12.676 -3.960 1.00 0.00 H new ATOM 0 HA THR A 32 -12.567 -13.456 -1.555 1.00 0.00 H new ATOM 0 HB THR A 32 -14.236 -13.580 -3.872 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.706 -11.094 -4.178 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.330 -11.605 -2.857 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.053 -12.911 -1.681 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.989 -11.485 -1.694 1.00 0.00 H new ATOM 474 N ASP A 33 -12.372 -15.613 -4.006 1.00 0.00 N ATOM 475 CA ASP A 33 -12.519 -17.003 -4.378 1.00 0.00 C ATOM 476 C ASP A 33 -11.357 -17.839 -3.844 1.00 0.00 C ATOM 477 O ASP A 33 -11.485 -19.049 -3.658 1.00 0.00 O ATOM 478 CB ASP A 33 -12.617 -17.146 -5.898 1.00 0.00 C ATOM 479 CG ASP A 33 -13.865 -16.496 -6.461 1.00 0.00 C ATOM 480 OD1 ASP A 33 -14.790 -16.202 -5.674 1.00 0.00 O ATOM 481 OD2 ASP A 33 -13.920 -16.282 -7.690 1.00 0.00 O ATOM 0 H ASP A 33 -11.922 -15.035 -4.715 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.442 -17.373 -3.931 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.737 -16.697 -6.360 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.611 -18.204 -6.162 1.00 0.00 H new ATOM 486 N GLY A 34 -10.228 -17.183 -3.601 1.00 0.00 N ATOM 487 CA GLY A 34 -9.059 -17.875 -3.091 1.00 0.00 C ATOM 488 C GLY A 34 -8.148 -18.373 -4.196 1.00 0.00 C ATOM 489 O GLY A 34 -7.491 -19.404 -4.049 1.00 0.00 O ATOM 0 H GLY A 34 -10.101 -16.182 -3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.500 -17.204 -2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.379 -18.719 -2.481 1.00 0.00 H new ATOM 493 N ASP A 35 -8.109 -17.642 -5.306 1.00 0.00 N ATOM 494 CA ASP A 35 -7.273 -18.021 -6.440 1.00 0.00 C ATOM 495 C ASP A 35 -5.973 -17.219 -6.468 1.00 0.00 C ATOM 496 O ASP A 35 -4.998 -17.624 -7.102 1.00 0.00 O ATOM 497 CB ASP A 35 -8.036 -17.819 -7.751 1.00 0.00 C ATOM 498 CG ASP A 35 -9.229 -18.747 -7.876 1.00 0.00 C ATOM 499 OD1 ASP A 35 -9.313 -19.715 -7.092 1.00 0.00 O ATOM 500 OD2 ASP A 35 -10.078 -18.505 -8.759 1.00 0.00 O ATOM 0 H ASP A 35 -8.645 -16.786 -5.444 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.019 -19.075 -6.328 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.375 -16.785 -7.815 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.361 -17.985 -8.590 1.00 0.00 H new ATOM 505 N LYS A 36 -5.963 -16.082 -5.781 1.00 0.00 N ATOM 506 CA LYS A 36 -4.779 -15.229 -5.734 1.00 0.00 C ATOM 507 C LYS A 36 -4.453 -14.821 -4.301 1.00 0.00 C ATOM 508 O LYS A 36 -5.350 -14.549 -3.503 1.00 0.00 O ATOM 509 CB LYS A 36 -4.991 -13.980 -6.591 1.00 0.00 C ATOM 510 CG LYS A 36 -5.655 -14.262 -7.930 1.00 0.00 C ATOM 511 CD LYS A 36 -4.923 -13.581 -9.075 1.00 0.00 C ATOM 512 CE LYS A 36 -4.860 -12.074 -8.884 1.00 0.00 C ATOM 513 NZ LYS A 36 -3.507 -11.625 -8.450 1.00 0.00 N ATOM 0 H LYS A 36 -6.759 -15.729 -5.250 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.939 -15.800 -6.130 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.602 -13.268 -6.035 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.027 -13.503 -6.767 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.682 -15.338 -8.104 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.689 -13.918 -7.903 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.912 -13.981 -9.150 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.426 -13.808 -10.015 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.125 -11.578 -9.818 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.599 -11.771 -8.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.570 -11.195 -7.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.864 -12.442 -8.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.141 -10.924 -9.125 1.00 0.00 H new ATOM 527 N VAL A 37 -3.162 -14.776 -3.979 1.00 0.00 N ATOM 528 CA VAL A 37 -2.722 -14.397 -2.642 1.00 0.00 C ATOM 529 C VAL A 37 -1.495 -13.490 -2.699 1.00 0.00 C ATOM 530 O VAL A 37 -0.554 -13.749 -3.449 1.00 0.00 O ATOM 531 CB VAL A 37 -2.401 -15.636 -1.781 1.00 0.00 C ATOM 532 CG1 VAL A 37 -1.212 -16.397 -2.349 1.00 0.00 C ATOM 533 CG2 VAL A 37 -2.148 -15.230 -0.338 1.00 0.00 C ATOM 0 H VAL A 37 -2.405 -14.997 -4.626 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.546 -13.852 -2.182 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.264 -16.301 -1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.005 -17.266 -1.725 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.440 -16.724 -3.363 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.338 -15.746 -2.366 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.923 -16.116 0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.304 -14.542 -0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.035 -14.740 0.063 1.00 0.00 H new ATOM 543 N HIS A 38 -1.516 -12.424 -1.905 1.00 0.00 N ATOM 544 CA HIS A 38 -0.406 -11.472 -1.866 1.00 0.00 C ATOM 545 C HIS A 38 -0.045 -11.105 -0.432 1.00 0.00 C ATOM 546 O HIS A 38 -0.905 -11.042 0.441 1.00 0.00 O ATOM 547 CB HIS A 38 -0.745 -10.206 -2.646 1.00 0.00 C ATOM 548 CG HIS A 38 0.432 -9.310 -2.872 1.00 0.00 C ATOM 549 ND1 HIS A 38 1.468 -9.628 -3.726 1.00 0.00 N ATOM 550 CD2 HIS A 38 0.738 -8.100 -2.349 1.00 0.00 C ATOM 551 CE1 HIS A 38 2.358 -8.651 -3.718 1.00 0.00 C ATOM 552 NE2 HIS A 38 1.938 -7.713 -2.891 1.00 0.00 N ATOM 0 H HIS A 38 -2.288 -12.196 -1.279 1.00 0.00 H new ATOM 0 HA HIS A 38 0.452 -11.957 -2.331 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.169 -10.486 -3.610 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.515 -9.653 -2.108 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.147 -7.542 -1.637 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.273 -8.625 -4.291 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.426 -6.841 -2.687 1.00 0.00 H new ATOM 561 N THR A 39 1.238 -10.868 -0.202 1.00 0.00 N ATOM 562 CA THR A 39 1.727 -10.505 1.125 1.00 0.00 C ATOM 563 C THR A 39 2.542 -9.213 1.076 1.00 0.00 C ATOM 564 O THR A 39 3.313 -8.992 0.143 1.00 0.00 O ATOM 565 CB THR A 39 2.578 -11.635 1.705 1.00 0.00 C ATOM 566 OG1 THR A 39 1.861 -12.858 1.696 1.00 0.00 O ATOM 567 CG2 THR A 39 3.028 -11.378 3.126 1.00 0.00 C ATOM 0 H THR A 39 1.963 -10.920 -0.918 1.00 0.00 H new ATOM 0 HA THR A 39 0.862 -10.342 1.768 1.00 0.00 H new ATOM 0 HB THR A 39 3.460 -11.688 1.067 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.423 -13.569 2.069 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.627 -12.219 3.476 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.626 -10.467 3.159 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.155 -11.262 3.769 1.00 0.00 H new ATOM 575 N VAL A 40 2.368 -8.364 2.088 1.00 0.00 N ATOM 576 CA VAL A 40 3.090 -7.097 2.156 1.00 0.00 C ATOM 577 C VAL A 40 3.657 -6.846 3.547 1.00 0.00 C ATOM 578 O VAL A 40 3.005 -7.107 4.555 1.00 0.00 O ATOM 579 CB VAL A 40 2.193 -5.896 1.790 1.00 0.00 C ATOM 580 CG1 VAL A 40 2.965 -4.587 1.948 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.645 -6.035 0.379 1.00 0.00 C ATOM 0 H VAL A 40 1.735 -8.531 2.870 1.00 0.00 H new ATOM 0 HA VAL A 40 3.900 -7.184 1.431 1.00 0.00 H new ATOM 0 HB VAL A 40 1.346 -5.881 2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.319 -3.749 1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.295 -4.482 2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.833 -4.595 1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.016 -5.175 0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.472 -6.082 -0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.053 -6.948 0.307 1.00 0.00 H new ATOM 591 N VAL A 41 4.863 -6.298 3.586 1.00 0.00 N ATOM 592 CA VAL A 41 5.509 -5.963 4.845 1.00 0.00 C ATOM 593 C VAL A 41 5.055 -4.571 5.281 1.00 0.00 C ATOM 594 O VAL A 41 5.272 -3.588 4.573 1.00 0.00 O ATOM 595 CB VAL A 41 7.049 -6.011 4.713 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.493 -5.357 3.414 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.738 -5.375 5.918 1.00 0.00 C ATOM 0 H VAL A 41 5.415 -6.076 2.757 1.00 0.00 H new ATOM 0 HA VAL A 41 5.221 -6.697 5.597 1.00 0.00 H new ATOM 0 HB VAL A 41 7.350 -7.058 4.689 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.579 -5.400 3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.049 -5.885 2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.169 -4.316 3.401 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.819 -5.428 5.789 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.433 -4.332 6.003 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.454 -5.911 6.824 1.00 0.00 H new ATOM 607 N LEU A 42 4.398 -4.500 6.432 1.00 0.00 N ATOM 608 CA LEU A 42 3.880 -3.233 6.940 1.00 0.00 C ATOM 609 C LEU A 42 4.987 -2.337 7.495 1.00 0.00 C ATOM 610 O LEU A 42 4.874 -1.111 7.467 1.00 0.00 O ATOM 611 CB LEU A 42 2.832 -3.490 8.025 1.00 0.00 C ATOM 612 CG LEU A 42 1.690 -4.422 7.615 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.651 -4.511 8.722 1.00 0.00 C ATOM 614 CD2 LEU A 42 1.052 -3.949 6.316 1.00 0.00 C ATOM 0 H LEU A 42 4.211 -5.303 7.032 1.00 0.00 H new ATOM 0 HA LEU A 42 3.423 -2.711 6.099 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.330 -3.913 8.897 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.408 -2.534 8.333 1.00 0.00 H new ATOM 0 HG LEU A 42 2.101 -5.418 7.450 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.154 -5.178 8.413 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.117 -4.899 9.628 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.244 -3.519 8.920 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.242 -4.625 6.041 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.655 -2.943 6.451 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.801 -3.940 5.525 1.00 0.00 H new ATOM 626 N SER A 43 6.043 -2.949 8.016 1.00 0.00 N ATOM 627 CA SER A 43 7.154 -2.200 8.598 1.00 0.00 C ATOM 628 C SER A 43 7.755 -1.203 7.608 1.00 0.00 C ATOM 629 O SER A 43 8.401 -0.236 8.010 1.00 0.00 O ATOM 630 CB SER A 43 8.239 -3.156 9.090 1.00 0.00 C ATOM 631 OG SER A 43 8.934 -3.741 8.002 1.00 0.00 O ATOM 0 H SER A 43 6.155 -3.962 8.048 1.00 0.00 H new ATOM 0 HA SER A 43 6.755 -1.635 9.440 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.941 -2.618 9.727 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.789 -3.938 9.701 1.00 0.00 H new ATOM 0 HG SER A 43 9.624 -4.347 8.343 1.00 0.00 H new ATOM 637 N THR A 44 7.547 -1.444 6.322 1.00 0.00 N ATOM 638 CA THR A 44 8.084 -0.560 5.289 1.00 0.00 C ATOM 639 C THR A 44 7.093 0.538 4.930 1.00 0.00 C ATOM 640 O THR A 44 7.477 1.601 4.443 1.00 0.00 O ATOM 641 CB THR A 44 8.460 -1.352 4.031 1.00 0.00 C ATOM 642 OG1 THR A 44 7.449 -1.247 3.042 1.00 0.00 O ATOM 643 CG2 THR A 44 8.687 -2.821 4.291 1.00 0.00 C ATOM 0 H THR A 44 7.014 -2.238 5.967 1.00 0.00 H new ATOM 0 HA THR A 44 8.982 -0.095 5.695 1.00 0.00 H new ATOM 0 HB THR A 44 9.395 -0.909 3.689 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.713 -1.759 2.249 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.949 -3.319 3.358 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.499 -2.942 5.008 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.777 -3.264 4.695 1.00 0.00 H new ATOM 651 N ILE A 45 5.816 0.276 5.168 1.00 0.00 N ATOM 652 CA ILE A 45 4.775 1.247 4.861 1.00 0.00 C ATOM 653 C ILE A 45 5.025 2.560 5.596 1.00 0.00 C ATOM 654 O ILE A 45 4.604 2.735 6.738 1.00 0.00 O ATOM 655 CB ILE A 45 3.378 0.712 5.223 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.152 -0.652 4.568 1.00 0.00 C ATOM 657 CG2 ILE A 45 2.301 1.697 4.794 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.319 -0.637 3.064 1.00 0.00 C ATOM 0 H ILE A 45 5.476 -0.597 5.571 1.00 0.00 H new ATOM 0 HA ILE A 45 4.809 1.425 3.786 1.00 0.00 H new ATOM 0 HB ILE A 45 3.319 0.594 6.305 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.851 -1.371 4.996 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.148 -1.000 4.810 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.320 1.302 5.058 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.457 2.650 5.300 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.353 1.847 3.716 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.144 -1.638 2.668 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.602 0.057 2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.331 -0.320 2.813 1.00 0.00 H new ATOM 670 N ASP A 46 5.727 3.472 4.933 1.00 0.00 N ATOM 671 CA ASP A 46 6.052 4.764 5.518 1.00 0.00 C ATOM 672 C ASP A 46 4.881 5.738 5.423 1.00 0.00 C ATOM 673 O ASP A 46 4.770 6.665 6.226 1.00 0.00 O ATOM 674 CB ASP A 46 7.276 5.364 4.822 1.00 0.00 C ATOM 675 CG ASP A 46 8.100 6.234 5.749 1.00 0.00 C ATOM 676 OD1 ASP A 46 7.997 6.054 6.980 1.00 0.00 O ATOM 677 OD2 ASP A 46 8.848 7.099 5.245 1.00 0.00 O ATOM 0 H ASP A 46 6.082 3.338 3.986 1.00 0.00 H new ATOM 0 HA ASP A 46 6.271 4.601 6.573 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.900 4.559 4.433 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.950 5.956 3.967 1.00 0.00 H new ATOM 682 N LYS A 47 4.014 5.537 4.433 1.00 0.00 N ATOM 683 CA LYS A 47 2.870 6.421 4.245 1.00 0.00 C ATOM 684 C LYS A 47 1.597 5.648 3.917 1.00 0.00 C ATOM 685 O LYS A 47 1.642 4.557 3.349 1.00 0.00 O ATOM 686 CB LYS A 47 3.166 7.424 3.130 1.00 0.00 C ATOM 687 CG LYS A 47 4.008 8.600 3.581 1.00 0.00 C ATOM 688 CD LYS A 47 3.875 9.781 2.634 1.00 0.00 C ATOM 689 CE LYS A 47 4.521 9.491 1.289 1.00 0.00 C ATOM 690 NZ LYS A 47 3.835 10.205 0.178 1.00 0.00 N ATOM 0 H LYS A 47 4.082 4.777 3.756 1.00 0.00 H new ATOM 0 HA LYS A 47 2.705 6.948 5.185 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.680 6.910 2.317 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.224 7.796 2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.705 8.901 4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.053 8.297 3.641 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.820 10.016 2.489 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.339 10.661 3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.569 9.788 1.318 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.499 8.418 1.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.306 9.981 -0.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.841 9.903 0.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.878 11.231 0.345 1.00 0.00 H new ATOM 704 N LEU A 48 0.460 6.240 4.273 1.00 0.00 N ATOM 705 CA LEU A 48 -0.842 5.638 4.017 1.00 0.00 C ATOM 706 C LEU A 48 -1.642 6.512 3.056 1.00 0.00 C ATOM 707 O LEU A 48 -1.851 7.697 3.316 1.00 0.00 O ATOM 708 CB LEU A 48 -1.618 5.475 5.327 1.00 0.00 C ATOM 709 CG LEU A 48 -1.242 4.255 6.167 1.00 0.00 C ATOM 710 CD1 LEU A 48 -1.747 4.424 7.594 1.00 0.00 C ATOM 711 CD2 LEU A 48 -1.806 2.985 5.547 1.00 0.00 C ATOM 0 H LEU A 48 0.416 7.144 4.744 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.688 4.656 3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.469 6.370 5.931 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.682 5.421 5.095 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.156 4.169 6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.473 3.549 8.183 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.298 5.314 8.036 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.832 4.531 7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.528 2.127 6.159 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.892 3.057 5.495 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.402 2.860 4.542 1.00 0.00 H new ATOM 723 N GLN A 49 -2.091 5.932 1.947 1.00 0.00 N ATOM 724 CA GLN A 49 -2.865 6.683 0.967 1.00 0.00 C ATOM 725 C GLN A 49 -4.229 6.041 0.747 1.00 0.00 C ATOM 726 O GLN A 49 -4.331 4.835 0.521 1.00 0.00 O ATOM 727 CB GLN A 49 -2.106 6.771 -0.357 1.00 0.00 C ATOM 728 CG GLN A 49 -1.150 7.950 -0.432 1.00 0.00 C ATOM 729 CD GLN A 49 -0.100 7.921 0.661 1.00 0.00 C ATOM 730 OE1 GLN A 49 0.284 6.853 1.139 1.00 0.00 O ATOM 731 NE2 GLN A 49 0.368 9.096 1.063 1.00 0.00 N ATOM 0 H GLN A 49 -1.934 4.953 1.707 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.017 7.691 1.354 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.545 5.849 -0.507 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.824 6.843 -1.174 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.657 7.952 -1.404 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.717 8.878 -0.361 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.021 9.956 0.638 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.075 9.139 1.797 1.00 0.00 H new ATOM 740 N ALA A 50 -5.274 6.857 0.817 1.00 0.00 N ATOM 741 CA ALA A 50 -6.634 6.372 0.628 1.00 0.00 C ATOM 742 C ALA A 50 -7.488 7.410 -0.085 1.00 0.00 C ATOM 743 O ALA A 50 -7.340 8.612 0.136 1.00 0.00 O ATOM 744 CB ALA A 50 -7.255 6.012 1.970 1.00 0.00 C ATOM 0 H ALA A 50 -5.205 7.857 1.003 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.593 5.479 0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.272 5.651 1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.662 5.232 2.448 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.277 6.895 2.609 1.00 0.00 H new ATOM 750 N THR A 51 -8.388 6.939 -0.939 1.00 0.00 N ATOM 751 CA THR A 51 -9.271 7.830 -1.681 1.00 0.00 C ATOM 752 C THR A 51 -10.378 8.364 -0.772 1.00 0.00 C ATOM 753 O THR A 51 -11.115 7.589 -0.163 1.00 0.00 O ATOM 754 CB THR A 51 -9.881 7.098 -2.878 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.698 6.025 -2.445 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.847 6.535 -3.828 1.00 0.00 C ATOM 0 H THR A 51 -8.526 5.947 -1.135 1.00 0.00 H new ATOM 0 HA THR A 51 -8.683 8.672 -2.046 1.00 0.00 H new ATOM 0 HB THR A 51 -10.465 7.850 -3.409 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.528 6.379 -2.062 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.348 6.029 -4.653 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.232 7.346 -4.219 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.214 5.824 -3.297 1.00 0.00 H new ATOM 764 N PRO A 52 -10.509 9.700 -0.661 1.00 0.00 N ATOM 765 CA PRO A 52 -11.531 10.327 0.187 1.00 0.00 C ATOM 766 C PRO A 52 -12.948 9.963 -0.240 1.00 0.00 C ATOM 767 O PRO A 52 -13.195 9.634 -1.401 1.00 0.00 O ATOM 768 CB PRO A 52 -11.288 11.830 0.008 1.00 0.00 C ATOM 769 CG PRO A 52 -10.507 11.950 -1.256 1.00 0.00 C ATOM 770 CD PRO A 52 -9.676 10.703 -1.346 1.00 0.00 C ATOM 0 HA PRO A 52 -11.451 9.993 1.221 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.229 12.376 -0.057 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.737 12.243 0.853 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.169 12.041 -2.117 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.877 12.839 -1.243 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.477 10.424 -2.381 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.709 10.826 -0.858 1.00 0.00 H new ATOM 778 N ALA A 53 -13.878 10.022 0.709 1.00 0.00 N ATOM 779 CA ALA A 53 -15.274 9.701 0.436 1.00 0.00 C ATOM 780 C ALA A 53 -15.860 10.643 -0.609 1.00 0.00 C ATOM 781 O ALA A 53 -16.580 10.215 -1.511 1.00 0.00 O ATOM 782 CB ALA A 53 -16.089 9.760 1.719 1.00 0.00 C ATOM 0 H ALA A 53 -13.689 10.290 1.675 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.317 8.687 0.037 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -17.129 9.518 1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.692 9.041 2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -16.031 10.763 2.141 1.00 0.00 H new ATOM 788 N SER A 54 -15.544 11.929 -0.484 1.00 0.00 N ATOM 789 CA SER A 54 -16.037 12.931 -1.422 1.00 0.00 C ATOM 790 C SER A 54 -15.613 12.595 -2.846 1.00 0.00 C ATOM 791 O SER A 54 -16.285 12.960 -3.812 1.00 0.00 O ATOM 792 CB SER A 54 -15.527 14.321 -1.037 1.00 0.00 C ATOM 793 OG SER A 54 -16.115 15.323 -1.847 1.00 0.00 O ATOM 0 H SER A 54 -14.950 12.301 0.257 1.00 0.00 H new ATOM 0 HA SER A 54 -17.126 12.930 -1.376 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.753 14.517 0.011 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.442 14.355 -1.141 1.00 0.00 H new ATOM 0 HG SER A 54 -15.774 16.202 -1.580 1.00 0.00 H new ATOM 799 N SER A 55 -14.493 11.894 -2.965 1.00 0.00 N ATOM 800 CA SER A 55 -13.968 11.498 -4.260 1.00 0.00 C ATOM 801 C SER A 55 -14.695 10.273 -4.785 1.00 0.00 C ATOM 802 O SER A 55 -14.662 9.206 -4.172 1.00 0.00 O ATOM 803 CB SER A 55 -12.469 11.212 -4.160 1.00 0.00 C ATOM 804 OG SER A 55 -11.967 10.689 -5.378 1.00 0.00 O ATOM 0 H SER A 55 -13.929 11.587 -2.172 1.00 0.00 H new ATOM 0 HA SER A 55 -14.127 12.321 -4.957 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.937 12.129 -3.908 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.284 10.503 -3.353 1.00 0.00 H new ATOM 0 HG SER A 55 -11.007 10.516 -5.289 1.00 0.00 H new ATOM 810 N GLU A 56 -15.341 10.426 -5.936 1.00 0.00 N ATOM 811 CA GLU A 56 -16.064 9.325 -6.556 1.00 0.00 C ATOM 812 C GLU A 56 -15.139 8.131 -6.770 1.00 0.00 C ATOM 813 O GLU A 56 -15.594 7.004 -6.955 1.00 0.00 O ATOM 814 CB GLU A 56 -16.663 9.767 -7.892 1.00 0.00 C ATOM 815 CG GLU A 56 -17.560 8.721 -8.533 1.00 0.00 C ATOM 816 CD GLU A 56 -18.057 9.138 -9.905 1.00 0.00 C ATOM 817 OE1 GLU A 56 -17.672 10.232 -10.370 1.00 0.00 O ATOM 818 OE2 GLU A 56 -18.829 8.369 -10.514 1.00 0.00 O ATOM 0 H GLU A 56 -15.378 11.302 -6.457 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.872 9.027 -5.888 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.237 10.681 -7.739 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.854 10.011 -8.580 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.013 7.782 -8.619 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.415 8.533 -7.883 1.00 0.00 H new ATOM 825 N LYS A 57 -13.833 8.392 -6.742 1.00 0.00 N ATOM 826 CA LYS A 57 -12.840 7.342 -6.933 1.00 0.00 C ATOM 827 C LYS A 57 -12.607 6.569 -5.637 1.00 0.00 C ATOM 828 O LYS A 57 -12.308 7.157 -4.597 1.00 0.00 O ATOM 829 CB LYS A 57 -11.524 7.939 -7.428 1.00 0.00 C ATOM 830 CG LYS A 57 -11.651 8.675 -8.753 1.00 0.00 C ATOM 831 CD LYS A 57 -10.536 8.292 -9.713 1.00 0.00 C ATOM 832 CE LYS A 57 -10.066 9.487 -10.526 1.00 0.00 C ATOM 833 NZ LYS A 57 -10.698 9.525 -11.875 1.00 0.00 N ATOM 0 H LYS A 57 -13.441 9.321 -6.589 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.221 6.650 -7.684 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.141 8.627 -6.675 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.789 7.141 -7.534 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.616 8.447 -9.206 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.627 9.750 -8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.697 7.880 -9.152 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.886 7.508 -10.385 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.301 10.406 -9.989 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.982 9.449 -10.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.351 10.355 -12.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.453 8.660 -12.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.731 9.587 -11.773 1.00 0.00 H new ATOM 847 N MET A 58 -12.743 5.251 -5.711 1.00 0.00 N ATOM 848 CA MET A 58 -12.544 4.389 -4.550 1.00 0.00 C ATOM 849 C MET A 58 -11.246 3.602 -4.683 1.00 0.00 C ATOM 850 O MET A 58 -11.089 2.804 -5.608 1.00 0.00 O ATOM 851 CB MET A 58 -13.724 3.427 -4.406 1.00 0.00 C ATOM 852 CG MET A 58 -15.077 4.118 -4.443 1.00 0.00 C ATOM 853 SD MET A 58 -16.411 3.063 -3.846 1.00 0.00 S ATOM 854 CE MET A 58 -15.756 2.577 -2.252 1.00 0.00 C ATOM 0 H MET A 58 -12.991 4.753 -6.566 1.00 0.00 H new ATOM 0 HA MET A 58 -12.481 5.015 -3.660 1.00 0.00 H new ATOM 0 HB2 MET A 58 -13.680 2.688 -5.206 1.00 0.00 H new ATOM 0 HB3 MET A 58 -13.628 2.884 -3.466 1.00 0.00 H new ATOM 0 HG2 MET A 58 -15.035 5.023 -3.837 1.00 0.00 H new ATOM 0 HG3 MET A 58 -15.294 4.429 -5.465 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.579 2.384 -1.564 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.158 1.673 -2.365 1.00 0.00 H new ATOM 0 HE3 MET A 58 -15.132 3.378 -1.855 1.00 0.00 H new ATOM 864 N MET A 59 -10.312 3.828 -3.762 1.00 0.00 N ATOM 865 CA MET A 59 -9.032 3.128 -3.802 1.00 0.00 C ATOM 866 C MET A 59 -8.174 3.445 -2.579 1.00 0.00 C ATOM 867 O MET A 59 -8.466 4.367 -1.817 1.00 0.00 O ATOM 868 CB MET A 59 -8.274 3.500 -5.077 1.00 0.00 C ATOM 869 CG MET A 59 -7.544 2.330 -5.716 1.00 0.00 C ATOM 870 SD MET A 59 -5.984 2.821 -6.475 1.00 0.00 S ATOM 871 CE MET A 59 -6.482 4.312 -7.332 1.00 0.00 C ATOM 0 H MET A 59 -10.416 4.483 -2.987 1.00 0.00 H new ATOM 0 HA MET A 59 -9.240 2.058 -3.796 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.977 3.916 -5.799 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.553 4.284 -4.845 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.353 1.569 -4.960 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.185 1.875 -6.471 1.00 0.00 H new ATOM 0 HE1 MET A 59 -5.607 4.936 -7.515 1.00 0.00 H new ATOM 0 HE2 MET A 59 -6.945 4.048 -8.283 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.198 4.861 -6.720 1.00 0.00 H new ATOM 881 N LEU A 60 -7.109 2.666 -2.410 1.00 0.00 N ATOM 882 CA LEU A 60 -6.183 2.836 -1.295 1.00 0.00 C ATOM 883 C LEU A 60 -4.802 2.311 -1.681 1.00 0.00 C ATOM 884 O LEU A 60 -4.690 1.268 -2.324 1.00 0.00 O ATOM 885 CB LEU A 60 -6.700 2.094 -0.061 1.00 0.00 C ATOM 886 CG LEU A 60 -5.757 2.100 1.147 1.00 0.00 C ATOM 887 CD1 LEU A 60 -6.202 3.135 2.170 1.00 0.00 C ATOM 888 CD2 LEU A 60 -5.689 0.715 1.777 1.00 0.00 C ATOM 0 H LEU A 60 -6.864 1.902 -3.040 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.107 3.897 -1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.650 2.537 0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.904 1.060 -0.338 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.759 2.370 0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.520 3.123 3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.196 4.125 1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.210 2.899 2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.015 0.737 2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.684 0.416 2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.319 -0.001 1.043 1.00 0.00 H new ATOM 900 N ARG A 61 -3.753 3.030 -1.293 1.00 0.00 N ATOM 901 CA ARG A 61 -2.393 2.610 -1.623 1.00 0.00 C ATOM 902 C ARG A 61 -1.430 2.839 -0.462 1.00 0.00 C ATOM 903 O ARG A 61 -1.590 3.777 0.319 1.00 0.00 O ATOM 904 CB ARG A 61 -1.891 3.341 -2.871 1.00 0.00 C ATOM 905 CG ARG A 61 -2.329 4.795 -2.950 1.00 0.00 C ATOM 906 CD ARG A 61 -1.155 5.718 -3.237 1.00 0.00 C ATOM 907 NE ARG A 61 -1.555 6.893 -4.006 1.00 0.00 N ATOM 908 CZ ARG A 61 -0.817 7.995 -4.116 1.00 0.00 C ATOM 909 NH1 ARG A 61 0.358 8.079 -3.503 1.00 0.00 N ATOM 910 NH2 ARG A 61 -1.253 9.017 -4.840 1.00 0.00 N ATOM 0 H ARG A 61 -3.815 3.895 -0.757 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.426 1.539 -1.824 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.802 3.298 -2.892 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.248 2.815 -3.757 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.081 4.907 -3.731 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.800 5.085 -2.011 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.707 6.037 -2.296 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.389 5.170 -3.786 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.454 6.868 -4.488 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.699 7.297 -2.945 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.920 8.926 -3.591 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.155 8.959 -5.313 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.687 9.861 -4.924 1.00 0.00 H new ATOM 924 N LEU A 62 -0.429 1.968 -0.362 1.00 0.00 N ATOM 925 CA LEU A 62 0.575 2.056 0.695 1.00 0.00 C ATOM 926 C LEU A 62 1.922 2.486 0.121 1.00 0.00 C ATOM 927 O LEU A 62 2.281 2.101 -0.992 1.00 0.00 O ATOM 928 CB LEU A 62 0.729 0.700 1.397 1.00 0.00 C ATOM 929 CG LEU A 62 -0.473 0.217 2.227 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.766 0.892 1.790 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.604 -1.296 2.123 1.00 0.00 C ATOM 0 H LEU A 62 -0.291 1.188 -1.005 1.00 0.00 H new ATOM 0 HA LEU A 62 0.242 2.801 1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.946 -0.054 0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.598 0.752 2.053 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.294 0.492 3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.592 0.525 2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.674 1.971 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.959 0.664 0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.457 -1.629 2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.752 -1.578 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.304 -1.767 2.500 1.00 0.00 H new ATOM 943 N ILE A 63 2.670 3.278 0.883 1.00 0.00 N ATOM 944 CA ILE A 63 3.980 3.745 0.434 1.00 0.00 C ATOM 945 C ILE A 63 5.102 3.017 1.164 1.00 0.00 C ATOM 946 O ILE A 63 5.190 3.065 2.390 1.00 0.00 O ATOM 947 CB ILE A 63 4.166 5.260 0.649 1.00 0.00 C ATOM 948 CG1 ILE A 63 2.831 5.999 0.540 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.168 5.811 -0.352 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.130 5.801 -0.776 1.00 0.00 C ATOM 0 H ILE A 63 2.395 3.609 1.808 1.00 0.00 H new ATOM 0 HA ILE A 63 4.025 3.531 -0.634 1.00 0.00 H new ATOM 0 HB ILE A 63 4.553 5.419 1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.175 5.664 1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.003 7.065 0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.292 6.882 -0.191 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.127 5.311 -0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.805 5.636 -1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.192 6.356 -0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.765 6.162 -1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.924 4.741 -0.923 1.00 0.00 H new ATOM 962 N GLY A 64 5.964 2.355 0.402 1.00 0.00 N ATOM 963 CA GLY A 64 7.074 1.637 0.995 1.00 0.00 C ATOM 964 C GLY A 64 8.281 2.527 1.220 1.00 0.00 C ATOM 965 O GLY A 64 8.696 3.259 0.322 1.00 0.00 O ATOM 0 H GLY A 64 5.914 2.303 -0.615 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.759 1.208 1.946 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.354 0.806 0.347 1.00 0.00 H new ATOM 969 N LYS A 65 8.844 2.467 2.425 1.00 0.00 N ATOM 970 CA LYS A 65 10.011 3.275 2.771 1.00 0.00 C ATOM 971 C LYS A 65 11.072 3.217 1.674 1.00 0.00 C ATOM 972 O LYS A 65 11.183 2.220 0.958 1.00 0.00 O ATOM 973 CB LYS A 65 10.611 2.801 4.097 1.00 0.00 C ATOM 974 CG LYS A 65 9.924 3.384 5.321 1.00 0.00 C ATOM 975 CD LYS A 65 10.597 2.930 6.606 1.00 0.00 C ATOM 976 CE LYS A 65 9.851 3.431 7.832 1.00 0.00 C ATOM 977 NZ LYS A 65 10.779 3.784 8.941 1.00 0.00 N ATOM 0 H LYS A 65 8.510 1.866 3.179 1.00 0.00 H new ATOM 0 HA LYS A 65 9.681 4.309 2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.555 1.713 4.143 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.668 3.067 4.123 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.941 4.472 5.265 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.877 3.081 5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.645 1.841 6.628 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.624 3.295 6.629 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.257 4.305 7.564 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.155 2.664 8.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.231 4.121 9.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.328 2.944 9.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.427 4.534 8.626 1.00 0.00 H new ATOM 991 N VAL A 66 11.846 4.289 1.546 1.00 0.00 N ATOM 992 CA VAL A 66 12.893 4.359 0.534 1.00 0.00 C ATOM 993 C VAL A 66 14.274 4.476 1.182 1.00 0.00 C ATOM 994 O VAL A 66 14.444 4.180 2.364 1.00 0.00 O ATOM 995 CB VAL A 66 12.655 5.545 -0.435 1.00 0.00 C ATOM 996 CG1 VAL A 66 13.241 6.842 0.111 1.00 0.00 C ATOM 997 CG2 VAL A 66 13.213 5.236 -1.821 1.00 0.00 C ATOM 0 H VAL A 66 11.768 5.121 2.130 1.00 0.00 H new ATOM 0 HA VAL A 66 12.857 3.433 -0.040 1.00 0.00 H new ATOM 0 HB VAL A 66 11.578 5.684 -0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.055 7.651 -0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 66 12.773 7.079 1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.315 6.724 0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 66 13.034 6.083 -2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.285 5.052 -1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.720 4.351 -2.223 1.00 0.00 H new ATOM 1007 N ASP A 67 15.250 4.911 0.396 1.00 0.00 N ATOM 1008 CA ASP A 67 16.616 5.073 0.880 1.00 0.00 C ATOM 1009 C ASP A 67 17.436 5.892 -0.112 1.00 0.00 C ATOM 1010 O ASP A 67 18.440 5.421 -0.646 1.00 0.00 O ATOM 1011 CB ASP A 67 17.269 3.706 1.101 1.00 0.00 C ATOM 1012 CG ASP A 67 16.984 3.147 2.480 1.00 0.00 C ATOM 1013 OD1 ASP A 67 16.698 3.944 3.398 1.00 0.00 O ATOM 1014 OD2 ASP A 67 17.048 1.909 2.645 1.00 0.00 O ATOM 0 H ASP A 67 15.121 5.159 -0.585 1.00 0.00 H new ATOM 0 HA ASP A 67 16.585 5.604 1.832 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.907 3.007 0.347 1.00 0.00 H new ATOM 0 HB3 ASP A 67 18.347 3.794 0.963 1.00 0.00 H new ATOM 1019 N GLU A 68 16.991 7.120 -0.359 1.00 0.00 N ATOM 1020 CA GLU A 68 17.675 8.009 -1.293 1.00 0.00 C ATOM 1021 C GLU A 68 19.128 8.229 -0.889 1.00 0.00 C ATOM 1022 O GLU A 68 19.963 8.597 -1.714 1.00 0.00 O ATOM 1023 CB GLU A 68 16.946 9.352 -1.378 1.00 0.00 C ATOM 1024 CG GLU A 68 15.474 9.225 -1.735 1.00 0.00 C ATOM 1025 CD GLU A 68 14.784 10.569 -1.859 1.00 0.00 C ATOM 1026 OE1 GLU A 68 15.394 11.589 -1.473 1.00 0.00 O ATOM 1027 OE2 GLU A 68 13.633 10.602 -2.343 1.00 0.00 O ATOM 0 H GLU A 68 16.160 7.523 0.074 1.00 0.00 H new ATOM 0 HA GLU A 68 17.665 7.533 -2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.036 9.866 -0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.439 9.977 -2.123 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.378 8.684 -2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.969 8.631 -0.973 1.00 0.00 H new ATOM 1034 N SER A 69 19.426 7.996 0.384 1.00 0.00 N ATOM 1035 CA SER A 69 20.781 8.164 0.893 1.00 0.00 C ATOM 1036 C SER A 69 21.767 7.272 0.139 1.00 0.00 C ATOM 1037 O SER A 69 22.976 7.501 0.176 1.00 0.00 O ATOM 1038 CB SER A 69 20.831 7.845 2.388 1.00 0.00 C ATOM 1039 OG SER A 69 22.122 8.091 2.921 1.00 0.00 O ATOM 0 H SER A 69 18.748 7.690 1.082 1.00 0.00 H new ATOM 0 HA SER A 69 21.070 9.204 0.738 1.00 0.00 H new ATOM 0 HB2 SER A 69 20.095 8.450 2.917 1.00 0.00 H new ATOM 0 HB3 SER A 69 20.561 6.801 2.549 1.00 0.00 H new ATOM 0 HG SER A 69 22.794 7.979 2.216 1.00 0.00 H new ATOM 1045 N LYS A 70 21.244 6.258 -0.546 1.00 0.00 N ATOM 1046 CA LYS A 70 22.082 5.338 -1.304 1.00 0.00 C ATOM 1047 C LYS A 70 22.728 6.042 -2.493 1.00 0.00 C ATOM 1048 O LYS A 70 23.943 5.976 -2.683 1.00 0.00 O ATOM 1049 CB LYS A 70 21.258 4.145 -1.791 1.00 0.00 C ATOM 1050 CG LYS A 70 20.644 3.330 -0.664 1.00 0.00 C ATOM 1051 CD LYS A 70 21.714 2.683 0.201 1.00 0.00 C ATOM 1052 CE LYS A 70 21.103 1.789 1.268 1.00 0.00 C ATOM 1053 NZ LYS A 70 22.137 1.227 2.181 1.00 0.00 N ATOM 0 H LYS A 70 20.246 6.054 -0.591 1.00 0.00 H new ATOM 0 HA LYS A 70 22.872 4.980 -0.643 1.00 0.00 H new ATOM 0 HB2 LYS A 70 20.462 4.505 -2.443 1.00 0.00 H new ATOM 0 HB3 LYS A 70 21.894 3.496 -2.393 1.00 0.00 H new ATOM 0 HG2 LYS A 70 20.016 3.974 -0.048 1.00 0.00 H new ATOM 0 HG3 LYS A 70 19.997 2.559 -1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 70 22.385 2.096 -0.426 1.00 0.00 H new ATOM 0 HD3 LYS A 70 22.317 3.457 0.675 1.00 0.00 H new ATOM 0 HE2 LYS A 70 20.378 2.360 1.848 1.00 0.00 H new ATOM 0 HE3 LYS A 70 20.559 0.974 0.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 21.680 0.623 2.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 22.815 0.661 1.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 22.640 2.004 2.656 1.00 0.00 H new ATOM 1067 N LYS A 71 21.908 6.720 -3.291 1.00 0.00 N ATOM 1068 CA LYS A 71 22.400 7.438 -4.462 1.00 0.00 C ATOM 1069 C LYS A 71 23.134 6.497 -5.413 1.00 0.00 C ATOM 1070 O LYS A 71 24.350 6.334 -5.323 1.00 0.00 O ATOM 1071 CB LYS A 71 23.325 8.577 -4.034 1.00 0.00 C ATOM 1072 CG LYS A 71 22.674 9.557 -3.073 1.00 0.00 C ATOM 1073 CD LYS A 71 22.984 10.997 -3.450 1.00 0.00 C ATOM 1074 CE LYS A 71 22.351 11.977 -2.475 1.00 0.00 C ATOM 1075 NZ LYS A 71 21.778 13.162 -3.170 1.00 0.00 N ATOM 0 H LYS A 71 20.900 6.787 -3.148 1.00 0.00 H new ATOM 0 HA LYS A 71 21.541 7.855 -4.989 1.00 0.00 H new ATOM 0 HB2 LYS A 71 24.214 8.156 -3.564 1.00 0.00 H new ATOM 0 HB3 LYS A 71 23.658 9.117 -4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 71 21.595 9.404 -3.072 1.00 0.00 H new ATOM 0 HG3 LYS A 71 23.025 9.362 -2.060 1.00 0.00 H new ATOM 0 HD2 LYS A 71 24.064 11.145 -3.467 1.00 0.00 H new ATOM 0 HD3 LYS A 71 22.619 11.197 -4.457 1.00 0.00 H new ATOM 0 HE2 LYS A 71 21.566 11.472 -1.912 1.00 0.00 H new ATOM 0 HE3 LYS A 71 23.099 12.306 -1.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 21.356 13.805 -2.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 22.531 13.659 -3.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 21.045 12.851 -3.840 1.00 0.00 H new ATOM 1089 N ARG A 72 22.385 5.881 -6.322 1.00 0.00 N ATOM 1090 CA ARG A 72 22.964 4.956 -7.288 1.00 0.00 C ATOM 1091 C ARG A 72 23.217 5.654 -8.624 1.00 0.00 C ATOM 1092 O ARG A 72 22.368 6.397 -9.117 1.00 0.00 O ATOM 1093 CB ARG A 72 22.048 3.739 -7.470 1.00 0.00 C ATOM 1094 CG ARG A 72 20.934 3.945 -8.484 1.00 0.00 C ATOM 1095 CD ARG A 72 21.379 3.526 -9.873 1.00 0.00 C ATOM 1096 NE ARG A 72 20.670 4.257 -10.921 1.00 0.00 N ATOM 1097 CZ ARG A 72 19.446 3.945 -11.344 1.00 0.00 C ATOM 1098 NH1 ARG A 72 18.792 2.922 -10.809 1.00 0.00 N ATOM 1099 NH2 ARG A 72 18.875 4.660 -12.304 1.00 0.00 N ATOM 0 H ARG A 72 21.376 6.006 -6.409 1.00 0.00 H new ATOM 0 HA ARG A 72 23.925 4.611 -6.906 1.00 0.00 H new ATOM 0 HB2 ARG A 72 22.652 2.886 -7.779 1.00 0.00 H new ATOM 0 HB3 ARG A 72 21.605 3.484 -6.507 1.00 0.00 H new ATOM 0 HG2 ARG A 72 20.058 3.368 -8.189 1.00 0.00 H new ATOM 0 HG3 ARG A 72 20.636 4.993 -8.494 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.451 3.694 -9.976 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.211 2.457 -10.000 1.00 0.00 H new ATOM 0 HE ARG A 72 21.140 5.052 -11.354 1.00 0.00 H new ATOM 0 HH11 ARG A 72 19.226 2.370 -10.070 1.00 0.00 H new ATOM 0 HH12 ARG A 72 17.855 2.688 -11.137 1.00 0.00 H new ATOM 0 HH21 ARG A 72 19.373 5.448 -12.718 1.00 0.00 H new ATOM 0 HH22 ARG A 72 17.938 4.422 -12.629 1.00 0.00 H new ATOM 1113 N LYS A 73 24.391 5.412 -9.200 1.00 0.00 N ATOM 1114 CA LYS A 73 24.759 6.023 -10.474 1.00 0.00 C ATOM 1115 C LYS A 73 24.031 5.359 -11.638 1.00 0.00 C ATOM 1116 O LYS A 73 23.793 4.153 -11.630 1.00 0.00 O ATOM 1117 CB LYS A 73 26.270 5.931 -10.689 1.00 0.00 C ATOM 1118 CG LYS A 73 27.084 6.632 -9.614 1.00 0.00 C ATOM 1119 CD LYS A 73 27.514 8.021 -10.056 1.00 0.00 C ATOM 1120 CE LYS A 73 28.728 8.503 -9.276 1.00 0.00 C ATOM 1121 NZ LYS A 73 28.469 8.541 -7.810 1.00 0.00 N ATOM 0 H LYS A 73 25.103 4.798 -8.805 1.00 0.00 H new ATOM 0 HA LYS A 73 24.462 7.071 -10.438 1.00 0.00 H new ATOM 0 HB2 LYS A 73 26.560 4.881 -10.725 1.00 0.00 H new ATOM 0 HB3 LYS A 73 26.517 6.363 -11.659 1.00 0.00 H new ATOM 0 HG2 LYS A 73 26.494 6.706 -8.700 1.00 0.00 H new ATOM 0 HG3 LYS A 73 27.965 6.036 -9.377 1.00 0.00 H new ATOM 0 HD2 LYS A 73 27.745 8.010 -11.121 1.00 0.00 H new ATOM 0 HD3 LYS A 73 26.689 8.720 -9.916 1.00 0.00 H new ATOM 0 HE2 LYS A 73 29.573 7.845 -9.478 1.00 0.00 H new ATOM 0 HE3 LYS A 73 29.009 9.498 -9.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 28.457 9.529 -7.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 27.549 8.099 -7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 29.219 8.021 -7.311 1.00 0.00 H new ATOM 1135 N ASP A 74 23.684 6.161 -12.638 1.00 0.00 N ATOM 1136 CA ASP A 74 22.985 5.660 -13.816 1.00 0.00 C ATOM 1137 C ASP A 74 23.969 5.343 -14.938 1.00 0.00 C ATOM 1138 O ASP A 74 25.164 5.614 -14.824 1.00 0.00 O ATOM 1139 CB ASP A 74 21.958 6.687 -14.298 1.00 0.00 C ATOM 1140 CG ASP A 74 20.783 6.042 -15.005 1.00 0.00 C ATOM 1141 OD1 ASP A 74 20.948 5.624 -16.170 1.00 0.00 O ATOM 1142 OD2 ASP A 74 19.697 5.955 -14.395 1.00 0.00 O ATOM 0 H ASP A 74 23.876 7.163 -12.657 1.00 0.00 H new ATOM 0 HA ASP A 74 22.469 4.741 -13.539 1.00 0.00 H new ATOM 0 HB2 ASP A 74 21.595 7.261 -13.446 1.00 0.00 H new ATOM 0 HB3 ASP A 74 22.443 7.392 -14.974 1.00 0.00 H new ATOM 1147 N ASN A 75 23.458 4.765 -16.021 1.00 0.00 N ATOM 1148 CA ASN A 75 24.289 4.410 -17.164 1.00 0.00 C ATOM 1149 C ASN A 75 24.979 5.639 -17.752 1.00 0.00 C ATOM 1150 O ASN A 75 25.976 5.519 -18.465 1.00 0.00 O ATOM 1151 CB ASN A 75 23.447 3.722 -18.240 1.00 0.00 C ATOM 1152 CG ASN A 75 24.298 3.006 -19.272 1.00 0.00 C ATOM 1153 OD1 ASN A 75 25.020 2.063 -18.951 1.00 0.00 O ATOM 1154 ND2 ASN A 75 24.215 3.454 -20.519 1.00 0.00 N ATOM 0 H ASN A 75 22.471 4.533 -16.130 1.00 0.00 H new ATOM 0 HA ASN A 75 25.058 3.722 -16.814 1.00 0.00 H new ATOM 0 HB2 ASN A 75 22.774 3.006 -17.768 1.00 0.00 H new ATOM 0 HB3 ASN A 75 22.824 4.464 -18.739 1.00 0.00 H new ATOM 0 HD21 ASN A 75 24.764 3.013 -21.257 1.00 0.00 H new ATOM 0 HD22 ASN A 75 23.602 4.239 -20.739 1.00 0.00 H new ATOM 1161 N GLU A 76 24.444 6.818 -17.453 1.00 0.00 N ATOM 1162 CA GLU A 76 25.015 8.065 -17.956 1.00 0.00 C ATOM 1163 C GLU A 76 26.104 8.596 -17.025 1.00 0.00 C ATOM 1164 O GLU A 76 26.599 9.707 -17.212 1.00 0.00 O ATOM 1165 CB GLU A 76 23.917 9.116 -18.126 1.00 0.00 C ATOM 1166 CG GLU A 76 22.882 8.752 -19.179 1.00 0.00 C ATOM 1167 CD GLU A 76 21.855 7.760 -18.668 1.00 0.00 C ATOM 1168 OE1 GLU A 76 21.722 7.625 -17.434 1.00 0.00 O ATOM 1169 OE2 GLU A 76 21.184 7.118 -19.504 1.00 0.00 O ATOM 0 H GLU A 76 23.618 6.938 -16.867 1.00 0.00 H new ATOM 0 HA GLU A 76 25.470 7.857 -18.924 1.00 0.00 H new ATOM 0 HB2 GLU A 76 23.414 9.262 -17.170 1.00 0.00 H new ATOM 0 HB3 GLU A 76 24.375 10.068 -18.393 1.00 0.00 H new ATOM 0 HG2 GLU A 76 22.374 9.657 -19.512 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.386 8.332 -20.049 1.00 0.00 H new ATOM 1176 N GLY A 77 26.474 7.801 -16.024 1.00 0.00 N ATOM 1177 CA GLY A 77 27.502 8.220 -15.089 1.00 0.00 C ATOM 1178 C GLY A 77 27.019 9.292 -14.130 1.00 0.00 C ATOM 1179 O GLY A 77 27.825 9.990 -13.517 1.00 0.00 O ATOM 0 H GLY A 77 26.081 6.877 -15.845 1.00 0.00 H new ATOM 0 HA2 GLY A 77 27.843 7.356 -14.519 1.00 0.00 H new ATOM 0 HA3 GLY A 77 28.361 8.595 -15.644 1.00 0.00 H new ATOM 1183 N ASN A 78 25.702 9.424 -14.000 1.00 0.00 N ATOM 1184 CA ASN A 78 25.120 10.420 -13.107 1.00 0.00 C ATOM 1185 C ASN A 78 24.348 9.754 -11.974 1.00 0.00 C ATOM 1186 O ASN A 78 23.734 8.704 -12.163 1.00 0.00 O ATOM 1187 CB ASN A 78 24.195 11.358 -13.884 1.00 0.00 C ATOM 1188 CG ASN A 78 24.916 12.092 -14.998 1.00 0.00 C ATOM 1189 OD1 ASN A 78 25.749 12.962 -14.744 1.00 0.00 O ATOM 1190 ND2 ASN A 78 24.598 11.743 -16.239 1.00 0.00 N ATOM 0 H ASN A 78 25.019 8.855 -14.501 1.00 0.00 H new ATOM 0 HA ASN A 78 25.936 11.000 -12.675 1.00 0.00 H new ATOM 0 HB2 ASN A 78 23.371 10.783 -14.306 1.00 0.00 H new ATOM 0 HB3 ASN A 78 23.759 12.084 -13.198 1.00 0.00 H new ATOM 0 HD21 ASN A 78 25.050 12.202 -17.030 1.00 0.00 H new ATOM 0 HD22 ASN A 78 23.901 11.016 -16.402 1.00 0.00 H new ATOM 1197 N GLU A 79 24.382 10.371 -10.797 1.00 0.00 N ATOM 1198 CA GLU A 79 23.684 9.834 -9.636 1.00 0.00 C ATOM 1199 C GLU A 79 22.187 10.098 -9.732 1.00 0.00 C ATOM 1200 O GLU A 79 21.758 11.119 -10.271 1.00 0.00 O ATOM 1201 CB GLU A 79 24.239 10.449 -8.350 1.00 0.00 C ATOM 1202 CG GLU A 79 25.694 10.095 -8.083 1.00 0.00 C ATOM 1203 CD GLU A 79 26.184 10.617 -6.747 1.00 0.00 C ATOM 1204 OE1 GLU A 79 26.467 11.830 -6.650 1.00 0.00 O ATOM 1205 OE2 GLU A 79 26.289 9.813 -5.797 1.00 0.00 O ATOM 0 H GLU A 79 24.885 11.241 -10.623 1.00 0.00 H new ATOM 0 HA GLU A 79 23.845 8.756 -9.614 1.00 0.00 H new ATOM 0 HB2 GLU A 79 24.142 11.533 -8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 79 23.633 10.117 -7.507 1.00 0.00 H new ATOM 0 HG2 GLU A 79 25.812 9.012 -8.111 1.00 0.00 H new ATOM 0 HG3 GLU A 79 26.316 10.504 -8.879 1.00 0.00 H new ATOM 1212 N VAL A 80 21.395 9.167 -9.214 1.00 0.00 N ATOM 1213 CA VAL A 80 19.944 9.295 -9.244 1.00 0.00 C ATOM 1214 C VAL A 80 19.334 8.966 -7.889 1.00 0.00 C ATOM 1215 O VAL A 80 19.943 8.273 -7.076 1.00 0.00 O ATOM 1216 CB VAL A 80 19.312 8.381 -10.323 1.00 0.00 C ATOM 1217 CG1 VAL A 80 20.205 8.309 -11.553 1.00 0.00 C ATOM 1218 CG2 VAL A 80 19.039 6.981 -9.776 1.00 0.00 C ATOM 0 H VAL A 80 21.734 8.315 -8.768 1.00 0.00 H new ATOM 0 HA VAL A 80 19.727 10.334 -9.493 1.00 0.00 H new ATOM 0 HB VAL A 80 18.356 8.819 -10.612 1.00 0.00 H new ATOM 0 HG11 VAL A 80 19.744 7.662 -12.300 1.00 0.00 H new ATOM 0 HG12 VAL A 80 20.334 9.309 -11.968 1.00 0.00 H new ATOM 0 HG13 VAL A 80 21.178 7.904 -11.273 1.00 0.00 H new ATOM 0 HG21 VAL A 80 18.596 6.365 -10.558 1.00 0.00 H new ATOM 0 HG22 VAL A 80 19.975 6.530 -9.446 1.00 0.00 H new ATOM 0 HG23 VAL A 80 18.351 7.047 -8.933 1.00 0.00 H new ATOM 1228 N VAL A 81 18.122 9.453 -7.663 1.00 0.00 N ATOM 1229 CA VAL A 81 17.418 9.193 -6.418 1.00 0.00 C ATOM 1230 C VAL A 81 16.342 8.135 -6.646 1.00 0.00 C ATOM 1231 O VAL A 81 15.257 8.443 -7.139 1.00 0.00 O ATOM 1232 CB VAL A 81 16.763 10.469 -5.860 1.00 0.00 C ATOM 1233 CG1 VAL A 81 16.249 10.234 -4.449 1.00 0.00 C ATOM 1234 CG2 VAL A 81 17.745 11.631 -5.889 1.00 0.00 C ATOM 0 H VAL A 81 17.606 10.031 -8.327 1.00 0.00 H new ATOM 0 HA VAL A 81 18.148 8.837 -5.691 1.00 0.00 H new ATOM 0 HB VAL A 81 15.914 10.724 -6.494 1.00 0.00 H new ATOM 0 HG11 VAL A 81 15.790 11.148 -4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 81 15.509 9.434 -4.460 1.00 0.00 H new ATOM 0 HG13 VAL A 81 17.079 9.952 -3.802 1.00 0.00 H new ATOM 0 HG21 VAL A 81 17.264 12.524 -5.491 1.00 0.00 H new ATOM 0 HG22 VAL A 81 18.616 11.386 -5.281 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.060 11.816 -6.916 1.00 0.00 H new ATOM 1244 N PRO A 82 16.630 6.866 -6.304 1.00 0.00 N ATOM 1245 CA PRO A 82 15.684 5.769 -6.494 1.00 0.00 C ATOM 1246 C PRO A 82 14.280 6.122 -6.016 1.00 0.00 C ATOM 1247 O PRO A 82 14.111 6.852 -5.039 1.00 0.00 O ATOM 1248 CB PRO A 82 16.271 4.646 -5.643 1.00 0.00 C ATOM 1249 CG PRO A 82 17.738 4.904 -5.642 1.00 0.00 C ATOM 1250 CD PRO A 82 17.905 6.399 -5.722 1.00 0.00 C ATOM 0 HA PRO A 82 15.567 5.510 -7.546 1.00 0.00 H new ATOM 0 HB2 PRO A 82 15.865 4.661 -4.632 1.00 0.00 H new ATOM 0 HB3 PRO A 82 16.041 3.667 -6.064 1.00 0.00 H new ATOM 0 HG2 PRO A 82 18.202 4.509 -4.738 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.220 4.413 -6.488 1.00 0.00 H new ATOM 0 HD2 PRO A 82 18.079 6.835 -4.738 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.754 6.674 -6.347 1.00 0.00 H new ATOM 1258 N LYS A 83 13.275 5.602 -6.711 1.00 0.00 N ATOM 1259 CA LYS A 83 11.886 5.865 -6.356 1.00 0.00 C ATOM 1260 C LYS A 83 11.415 4.924 -5.254 1.00 0.00 C ATOM 1261 O LYS A 83 11.809 3.758 -5.206 1.00 0.00 O ATOM 1262 CB LYS A 83 10.985 5.728 -7.585 1.00 0.00 C ATOM 1263 CG LYS A 83 11.321 6.707 -8.698 1.00 0.00 C ATOM 1264 CD LYS A 83 12.224 6.071 -9.744 1.00 0.00 C ATOM 1265 CE LYS A 83 11.846 6.516 -11.148 1.00 0.00 C ATOM 1266 NZ LYS A 83 12.993 6.409 -12.092 1.00 0.00 N ATOM 0 H LYS A 83 13.396 4.996 -7.523 1.00 0.00 H new ATOM 0 HA LYS A 83 11.823 6.887 -5.983 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.063 4.712 -7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.948 5.876 -7.283 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.401 7.052 -9.171 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.812 7.584 -8.277 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.261 6.339 -9.543 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.156 4.985 -9.674 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.019 5.907 -11.512 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.494 7.547 -11.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.694 6.722 -13.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.774 7.010 -11.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.313 5.421 -12.139 1.00 0.00 H new ATOM 1280 N PRO A 84 10.576 5.432 -4.341 1.00 0.00 N ATOM 1281 CA PRO A 84 10.050 4.665 -3.209 1.00 0.00 C ATOM 1282 C PRO A 84 8.991 3.650 -3.629 1.00 0.00 C ATOM 1283 O PRO A 84 8.296 3.841 -4.628 1.00 0.00 O ATOM 1284 CB PRO A 84 9.437 5.737 -2.303 1.00 0.00 C ATOM 1285 CG PRO A 84 9.948 7.025 -2.843 1.00 0.00 C ATOM 1286 CD PRO A 84 10.078 6.807 -4.310 1.00 0.00 C ATOM 0 HA PRO A 84 10.828 4.074 -2.726 1.00 0.00 H new ATOM 0 HB2 PRO A 84 8.348 5.701 -2.328 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.737 5.596 -1.264 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.262 7.843 -2.625 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.908 7.286 -2.397 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.126 6.913 -4.829 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.773 7.508 -4.772 1.00 0.00 H new ATOM 1294 N GLN A 85 8.869 2.574 -2.858 1.00 0.00 N ATOM 1295 CA GLN A 85 7.889 1.535 -3.148 1.00 0.00 C ATOM 1296 C GLN A 85 6.471 2.067 -2.959 1.00 0.00 C ATOM 1297 O GLN A 85 6.229 2.925 -2.109 1.00 0.00 O ATOM 1298 CB GLN A 85 8.120 0.319 -2.247 1.00 0.00 C ATOM 1299 CG GLN A 85 8.675 -0.888 -2.984 1.00 0.00 C ATOM 1300 CD GLN A 85 9.098 -2.001 -2.046 1.00 0.00 C ATOM 1301 OE1 GLN A 85 9.231 -1.795 -0.840 1.00 0.00 O ATOM 1302 NE2 GLN A 85 9.314 -3.189 -2.597 1.00 0.00 N ATOM 0 H GLN A 85 9.436 2.400 -2.029 1.00 0.00 H new ATOM 0 HA GLN A 85 8.010 1.230 -4.188 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.809 0.595 -1.448 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.177 0.044 -1.774 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.920 -1.266 -3.674 1.00 0.00 H new ATOM 0 HG3 GLN A 85 9.530 -0.580 -3.585 1.00 0.00 H new ATOM 0 HE21 GLN A 85 9.192 -3.315 -3.602 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.602 -3.976 -2.016 1.00 0.00 H new ATOM 1311 N ARG A 86 5.538 1.556 -3.755 1.00 0.00 N ATOM 1312 CA ARG A 86 4.148 1.986 -3.670 1.00 0.00 C ATOM 1313 C ARG A 86 3.197 0.844 -4.010 1.00 0.00 C ATOM 1314 O ARG A 86 3.231 0.301 -5.115 1.00 0.00 O ATOM 1315 CB ARG A 86 3.901 3.165 -4.614 1.00 0.00 C ATOM 1316 CG ARG A 86 4.495 4.473 -4.123 1.00 0.00 C ATOM 1317 CD ARG A 86 4.166 5.624 -5.061 1.00 0.00 C ATOM 1318 NE ARG A 86 2.725 5.848 -5.170 1.00 0.00 N ATOM 1319 CZ ARG A 86 1.936 5.222 -6.041 1.00 0.00 C ATOM 1320 NH1 ARG A 86 2.438 4.328 -6.883 1.00 0.00 N ATOM 1321 NH2 ARG A 86 0.637 5.490 -6.068 1.00 0.00 N ATOM 0 H ARG A 86 5.719 0.846 -4.464 1.00 0.00 H new ATOM 0 HA ARG A 86 3.955 2.299 -2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.320 2.930 -5.592 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.827 3.292 -4.750 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.114 4.695 -3.126 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.577 4.372 -4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.648 6.533 -4.702 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.576 5.415 -6.049 1.00 0.00 H new ATOM 0 HE ARG A 86 2.298 6.526 -4.539 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.435 4.116 -6.866 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.826 3.853 -7.547 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.244 6.175 -5.422 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.031 5.011 -6.735 1.00 0.00 H new ATOM 1335 N HIS A 87 2.340 0.491 -3.057 1.00 0.00 N ATOM 1336 CA HIS A 87 1.372 -0.579 -3.257 1.00 0.00 C ATOM 1337 C HIS A 87 0.007 -0.001 -3.614 1.00 0.00 C ATOM 1338 O HIS A 87 -0.269 1.167 -3.341 1.00 0.00 O ATOM 1339 CB HIS A 87 1.263 -1.444 -2.000 1.00 0.00 C ATOM 1340 CG HIS A 87 2.538 -2.141 -1.642 1.00 0.00 C ATOM 1341 ND1 HIS A 87 3.085 -3.150 -2.405 1.00 0.00 N ATOM 1342 CD2 HIS A 87 3.379 -1.969 -0.593 1.00 0.00 C ATOM 1343 CE1 HIS A 87 4.206 -3.569 -1.844 1.00 0.00 C ATOM 1344 NE2 HIS A 87 4.406 -2.867 -0.744 1.00 0.00 N ATOM 0 H HIS A 87 2.297 0.932 -2.138 1.00 0.00 H new ATOM 0 HA HIS A 87 1.716 -1.203 -4.082 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.953 -0.818 -1.163 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.480 -2.188 -2.148 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.263 -1.258 0.212 1.00 0.00 H new ATOM 0 HE1 HIS A 87 4.848 -4.351 -2.221 1.00 0.00 H new ATOM 0 HE2 HIS A 87 5.197 -2.975 -0.109 1.00 0.00 H new ATOM 1353 N MET A 88 -0.841 -0.815 -4.231 1.00 0.00 N ATOM 1354 CA MET A 88 -2.169 -0.365 -4.628 1.00 0.00 C ATOM 1355 C MET A 88 -3.243 -1.375 -4.238 1.00 0.00 C ATOM 1356 O MET A 88 -3.058 -2.583 -4.379 1.00 0.00 O ATOM 1357 CB MET A 88 -2.211 -0.114 -6.136 1.00 0.00 C ATOM 1358 CG MET A 88 -3.565 0.358 -6.640 1.00 0.00 C ATOM 1359 SD MET A 88 -3.633 0.474 -8.439 1.00 0.00 S ATOM 1360 CE MET A 88 -5.399 0.631 -8.700 1.00 0.00 C ATOM 0 H MET A 88 -0.634 -1.786 -4.466 1.00 0.00 H new ATOM 0 HA MET A 88 -2.376 0.566 -4.100 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.458 0.631 -6.392 1.00 0.00 H new ATOM 0 HB3 MET A 88 -1.940 -1.033 -6.656 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.337 -0.329 -6.294 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.790 1.333 -6.208 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.712 -0.051 -9.491 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.926 0.384 -7.779 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.634 1.655 -8.990 1.00 0.00 H new ATOM 1370 N PHE A 89 -4.368 -0.862 -3.752 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.488 -1.700 -3.343 1.00 0.00 C ATOM 1372 C PHE A 89 -6.799 -0.937 -3.493 1.00 0.00 C ATOM 1373 O PHE A 89 -6.951 0.161 -2.958 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.310 -2.159 -1.894 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.076 -2.984 -1.673 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -4.097 -4.355 -1.877 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -2.894 -2.389 -1.259 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -2.962 -5.117 -1.674 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -1.755 -3.147 -1.054 1.00 0.00 C ATOM 1380 CZ PHE A 89 -1.790 -4.511 -1.262 1.00 0.00 C ATOM 0 H PHE A 89 -4.528 0.138 -3.631 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.516 -2.579 -3.987 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.272 -1.283 -1.246 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.183 -2.739 -1.595 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.011 -4.833 -2.198 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.862 -1.322 -1.095 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.991 -6.184 -1.837 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.840 -2.672 -0.732 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.902 -5.105 -1.103 1.00 0.00 H new ATOM 1390 N SER A 90 -7.743 -1.515 -4.228 1.00 0.00 N ATOM 1391 CA SER A 90 -9.034 -0.872 -4.447 1.00 0.00 C ATOM 1392 C SER A 90 -10.097 -1.429 -3.507 1.00 0.00 C ATOM 1393 O SER A 90 -10.235 -2.642 -3.351 1.00 0.00 O ATOM 1394 CB SER A 90 -9.475 -1.048 -5.902 1.00 0.00 C ATOM 1395 OG SER A 90 -10.855 -0.767 -6.054 1.00 0.00 O ATOM 0 H SER A 90 -7.640 -2.423 -4.680 1.00 0.00 H new ATOM 0 HA SER A 90 -8.918 0.191 -4.235 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.893 -0.387 -6.544 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.271 -2.068 -6.226 1.00 0.00 H new ATOM 0 HG SER A 90 -11.111 -0.885 -6.992 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.851 -0.527 -2.885 1.00 0.00 N ATOM 1402 CA PHE A 91 -11.911 -0.916 -1.963 1.00 0.00 C ATOM 1403 C PHE A 91 -13.260 -0.395 -2.445 1.00 0.00 C ATOM 1404 O PHE A 91 -13.331 0.621 -3.137 1.00 0.00 O ATOM 1405 CB PHE A 91 -11.625 -0.371 -0.562 1.00 0.00 C ATOM 1406 CG PHE A 91 -10.442 -1.011 0.111 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -9.154 -0.587 -0.171 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -10.621 -2.031 1.031 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -8.066 -1.169 0.451 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -9.538 -2.618 1.655 1.00 0.00 C ATOM 1411 CZ PHE A 91 -8.258 -2.186 1.366 1.00 0.00 C ATOM 0 H PHE A 91 -10.746 0.481 -3.004 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.944 -2.005 -1.926 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -11.455 0.704 -0.629 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -12.508 -0.516 0.061 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.998 0.208 -0.885 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -11.619 -2.371 1.263 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.067 -0.829 0.222 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.692 -3.414 2.368 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.410 -2.642 1.854 1.00 0.00 H new ATOM 1421 N ASN A 92 -14.330 -1.091 -2.074 1.00 0.00 N ATOM 1422 CA ASN A 92 -15.673 -0.686 -2.470 1.00 0.00 C ATOM 1423 C ASN A 92 -16.460 -0.130 -1.283 1.00 0.00 C ATOM 1424 O ASN A 92 -17.570 0.375 -1.450 1.00 0.00 O ATOM 1425 CB ASN A 92 -16.430 -1.860 -3.080 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.635 -2.564 -4.162 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -14.682 -2.011 -4.710 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.026 -3.795 -4.475 1.00 0.00 N ATOM 0 H ASN A 92 -14.293 -1.935 -1.502 1.00 0.00 H new ATOM 0 HA ASN A 92 -15.569 0.102 -3.216 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.681 -2.574 -2.295 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -17.371 -1.503 -3.499 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.530 -4.320 -5.195 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.822 -4.215 -3.995 1.00 0.00 H new ATOM 1435 N ASN A 93 -15.883 -0.223 -0.088 1.00 0.00 N ATOM 1436 CA ASN A 93 -16.537 0.275 1.115 1.00 0.00 C ATOM 1437 C ASN A 93 -15.673 1.326 1.804 1.00 0.00 C ATOM 1438 O ASN A 93 -14.635 1.009 2.383 1.00 0.00 O ATOM 1439 CB ASN A 93 -16.827 -0.877 2.079 1.00 0.00 C ATOM 1440 CG ASN A 93 -17.840 -1.856 1.520 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -18.531 -1.563 0.544 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -17.936 -3.027 2.139 1.00 0.00 N ATOM 0 H ASN A 93 -14.965 -0.638 0.071 1.00 0.00 H new ATOM 0 HA ASN A 93 -17.479 0.738 0.823 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -15.899 -1.405 2.300 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -17.197 -0.474 3.022 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -18.602 -3.725 1.809 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -17.344 -3.228 2.945 1.00 0.00 H new ATOM 1449 N ARG A 94 -16.108 2.582 1.734 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.372 3.685 2.351 1.00 0.00 C ATOM 1451 C ARG A 94 -14.997 3.357 3.791 1.00 0.00 C ATOM 1452 O ARG A 94 -13.996 3.848 4.314 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.189 4.981 2.313 1.00 0.00 C ATOM 1454 CG ARG A 94 -17.693 4.770 2.385 1.00 0.00 C ATOM 1455 CD ARG A 94 -18.318 4.783 1.000 1.00 0.00 C ATOM 1456 NE ARG A 94 -18.891 6.086 0.669 1.00 0.00 N ATOM 1457 CZ ARG A 94 -19.765 6.282 -0.316 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -20.167 5.265 -1.068 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -20.238 7.499 -0.549 1.00 0.00 N ATOM 0 H ARG A 94 -16.965 2.862 1.257 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.458 3.828 1.775 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -15.882 5.616 3.144 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -15.952 5.520 1.396 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -17.906 3.819 2.874 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -18.143 5.551 2.997 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -17.563 4.521 0.259 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -19.096 4.021 0.946 1.00 0.00 H new ATOM 0 HE ARG A 94 -18.605 6.892 1.225 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -19.806 4.327 -0.893 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -20.837 5.421 -1.821 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -19.932 8.284 0.026 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.908 7.650 -1.303 1.00 0.00 H new ATOM 1473 N THR A 95 -15.811 2.528 4.425 1.00 0.00 N ATOM 1474 CA THR A 95 -15.596 2.126 5.793 1.00 0.00 C ATOM 1475 C THR A 95 -14.480 1.089 5.895 1.00 0.00 C ATOM 1476 O THR A 95 -13.515 1.275 6.636 1.00 0.00 O ATOM 1477 CB THR A 95 -16.892 1.561 6.340 1.00 0.00 C ATOM 1478 OG1 THR A 95 -17.984 1.897 5.500 1.00 0.00 O ATOM 1479 CG2 THR A 95 -17.217 2.054 7.722 1.00 0.00 C ATOM 0 H THR A 95 -16.641 2.117 3.997 1.00 0.00 H new ATOM 0 HA THR A 95 -15.290 2.993 6.378 1.00 0.00 H new ATOM 0 HB THR A 95 -16.741 0.482 6.379 1.00 0.00 H new ATOM 0 HG1 THR A 95 -18.810 1.521 5.871 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.156 1.612 8.054 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.419 1.768 8.407 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.312 3.140 7.708 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.617 -0.003 5.149 1.00 0.00 N ATOM 1488 CA VAL A 96 -13.616 -1.066 5.161 1.00 0.00 C ATOM 1489 C VAL A 96 -12.228 -0.505 4.872 1.00 0.00 C ATOM 1490 O VAL A 96 -11.269 -0.802 5.583 1.00 0.00 O ATOM 1491 CB VAL A 96 -13.945 -2.164 4.129 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -12.914 -3.283 4.187 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -15.345 -2.711 4.361 1.00 0.00 C ATOM 0 H VAL A 96 -15.409 -0.175 4.530 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.629 -1.507 6.158 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.910 -1.721 3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.165 -4.047 3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.926 -2.879 3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.913 -3.725 5.183 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -15.560 -3.485 3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -15.408 -3.137 5.363 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.072 -1.904 4.263 1.00 0.00 H new ATOM 1503 N MET A 97 -12.132 0.315 3.831 1.00 0.00 N ATOM 1504 CA MET A 97 -10.861 0.924 3.461 1.00 0.00 C ATOM 1505 C MET A 97 -10.347 1.801 4.596 1.00 0.00 C ATOM 1506 O MET A 97 -9.142 1.877 4.838 1.00 0.00 O ATOM 1507 CB MET A 97 -11.015 1.755 2.187 1.00 0.00 C ATOM 1508 CG MET A 97 -12.246 2.647 2.190 1.00 0.00 C ATOM 1509 SD MET A 97 -11.836 4.401 2.103 1.00 0.00 S ATOM 1510 CE MET A 97 -10.836 4.438 0.619 1.00 0.00 C ATOM 0 H MET A 97 -12.916 0.572 3.231 1.00 0.00 H new ATOM 0 HA MET A 97 -10.140 0.129 3.273 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.128 2.374 2.057 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.064 1.085 1.329 1.00 0.00 H new ATOM 0 HG2 MET A 97 -12.882 2.384 1.344 1.00 0.00 H new ATOM 0 HG3 MET A 97 -12.824 2.458 3.094 1.00 0.00 H new ATOM 0 HE1 MET A 97 -11.161 5.260 -0.018 1.00 0.00 H new ATOM 0 HE2 MET A 97 -9.790 4.580 0.889 1.00 0.00 H new ATOM 0 HE3 MET A 97 -10.947 3.496 0.082 1.00 0.00 H new ATOM 1520 N ASP A 98 -11.271 2.457 5.292 1.00 0.00 N ATOM 1521 CA ASP A 98 -10.908 3.322 6.407 1.00 0.00 C ATOM 1522 C ASP A 98 -10.287 2.508 7.531 1.00 0.00 C ATOM 1523 O ASP A 98 -9.367 2.961 8.209 1.00 0.00 O ATOM 1524 CB ASP A 98 -12.136 4.080 6.917 1.00 0.00 C ATOM 1525 CG ASP A 98 -11.786 5.103 7.981 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -10.582 5.380 8.166 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -12.716 5.628 8.627 1.00 0.00 O ATOM 0 H ASP A 98 -12.272 2.406 5.104 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.173 4.046 6.056 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -12.622 4.582 6.081 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -12.855 3.369 7.324 1.00 0.00 H new ATOM 1532 N ASN A 99 -10.791 1.297 7.711 1.00 0.00 N ATOM 1533 CA ASN A 99 -10.278 0.406 8.741 1.00 0.00 C ATOM 1534 C ASN A 99 -8.840 0.018 8.424 1.00 0.00 C ATOM 1535 O ASN A 99 -7.979 0.006 9.303 1.00 0.00 O ATOM 1536 CB ASN A 99 -11.148 -0.846 8.854 1.00 0.00 C ATOM 1537 CG ASN A 99 -12.488 -0.564 9.503 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -12.609 -0.567 10.728 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -13.503 -0.315 8.684 1.00 0.00 N ATOM 0 H ASN A 99 -11.555 0.908 7.158 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.304 0.930 9.697 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -11.310 -1.263 7.860 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.618 -1.601 9.434 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.428 -0.116 9.064 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.357 -0.323 7.674 1.00 0.00 H new ATOM 1546 N ILE A 100 -8.589 -0.283 7.154 1.00 0.00 N ATOM 1547 CA ILE A 100 -7.254 -0.657 6.706 1.00 0.00 C ATOM 1548 C ILE A 100 -6.277 0.489 6.922 1.00 0.00 C ATOM 1549 O ILE A 100 -5.221 0.314 7.528 1.00 0.00 O ATOM 1550 CB ILE A 100 -7.256 -1.047 5.212 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.248 -2.183 4.959 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.858 -1.443 4.755 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.822 -3.502 5.564 1.00 0.00 C ATOM 0 H ILE A 100 -9.294 -0.275 6.417 1.00 0.00 H new ATOM 0 HA ILE A 100 -6.941 -1.519 7.295 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.569 -0.179 4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.220 -1.903 5.365 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.376 -2.310 3.884 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.883 -1.714 3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.177 -0.604 4.898 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.512 -2.295 5.340 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.572 -4.262 5.345 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.865 -3.805 5.140 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.722 -3.391 6.644 1.00 0.00 H new ATOM 1565 N LYS A 101 -6.641 1.665 6.423 1.00 0.00 N ATOM 1566 CA LYS A 101 -5.802 2.846 6.565 1.00 0.00 C ATOM 1567 C LYS A 101 -5.659 3.231 8.034 1.00 0.00 C ATOM 1568 O LYS A 101 -4.657 3.819 8.441 1.00 0.00 O ATOM 1569 CB LYS A 101 -6.383 4.011 5.751 1.00 0.00 C ATOM 1570 CG LYS A 101 -7.370 4.883 6.517 1.00 0.00 C ATOM 1571 CD LYS A 101 -7.933 5.987 5.636 1.00 0.00 C ATOM 1572 CE LYS A 101 -8.449 7.152 6.465 1.00 0.00 C ATOM 1573 NZ LYS A 101 -7.340 7.908 7.112 1.00 0.00 N ATOM 0 H LYS A 101 -7.512 1.824 5.917 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.809 2.616 6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.563 4.636 5.398 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.881 3.609 4.868 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.185 4.266 6.896 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -6.874 5.323 7.382 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.160 6.339 4.953 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.742 5.588 5.023 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.023 7.825 5.828 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.129 6.779 7.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.674 8.857 7.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.027 7.402 7.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.544 7.993 6.448 1.00 0.00 H new ATOM 1587 N MET A 102 -6.670 2.887 8.821 1.00 0.00 N ATOM 1588 CA MET A 102 -6.670 3.185 10.247 1.00 0.00 C ATOM 1589 C MET A 102 -5.806 2.188 11.006 1.00 0.00 C ATOM 1590 O MET A 102 -5.077 2.555 11.928 1.00 0.00 O ATOM 1591 CB MET A 102 -8.096 3.166 10.799 1.00 0.00 C ATOM 1592 CG MET A 102 -8.820 4.495 10.658 1.00 0.00 C ATOM 1593 SD MET A 102 -10.361 4.550 11.593 1.00 0.00 S ATOM 1594 CE MET A 102 -11.248 3.172 10.868 1.00 0.00 C ATOM 0 H MET A 102 -7.504 2.399 8.494 1.00 0.00 H new ATOM 0 HA MET A 102 -6.253 4.183 10.383 1.00 0.00 H new ATOM 0 HB2 MET A 102 -8.667 2.394 10.282 1.00 0.00 H new ATOM 0 HB3 MET A 102 -8.065 2.888 11.853 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.166 5.298 10.996 1.00 0.00 H new ATOM 0 HG3 MET A 102 -9.032 4.679 9.605 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.318 3.300 11.035 1.00 0.00 H new ATOM 0 HE2 MET A 102 -11.050 3.135 9.797 1.00 0.00 H new ATOM 0 HE3 MET A 102 -10.917 2.242 11.331 1.00 0.00 H new ATOM 1604 N THR A 103 -5.896 0.924 10.612 1.00 0.00 N ATOM 1605 CA THR A 103 -5.129 -0.133 11.252 1.00 0.00 C ATOM 1606 C THR A 103 -3.664 -0.087 10.818 1.00 0.00 C ATOM 1607 O THR A 103 -2.759 -0.231 11.641 1.00 0.00 O ATOM 1608 CB THR A 103 -5.756 -1.490 10.935 1.00 0.00 C ATOM 1609 OG1 THR A 103 -6.332 -2.062 12.097 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.773 -2.482 10.378 1.00 0.00 C ATOM 0 H THR A 103 -6.495 0.607 9.850 1.00 0.00 H new ATOM 0 HA THR A 103 -5.153 0.019 12.331 1.00 0.00 H new ATOM 0 HB THR A 103 -6.514 -1.288 10.178 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.729 -2.929 11.872 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.282 -3.424 10.175 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.348 -2.093 9.453 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.975 -2.650 11.102 1.00 0.00 H new ATOM 1618 N LEU A 104 -3.435 0.111 9.524 1.00 0.00 N ATOM 1619 CA LEU A 104 -2.079 0.171 8.994 1.00 0.00 C ATOM 1620 C LEU A 104 -1.302 1.326 9.613 1.00 0.00 C ATOM 1621 O LEU A 104 -0.095 1.231 9.825 1.00 0.00 O ATOM 1622 CB LEU A 104 -2.105 0.316 7.470 1.00 0.00 C ATOM 1623 CG LEU A 104 -1.858 -0.977 6.694 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -2.327 -0.835 5.253 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -0.385 -1.354 6.745 1.00 0.00 C ATOM 0 H LEU A 104 -4.169 0.232 8.826 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.577 -0.761 9.253 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.074 0.720 7.175 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.352 1.048 7.177 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.434 -1.776 7.162 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.143 -1.766 4.717 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.394 -0.613 5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.781 -0.024 4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.226 -2.277 6.188 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.210 -0.556 6.302 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.082 -1.500 7.782 1.00 0.00 H new ATOM 1637 N GLN A 105 -2.003 2.416 9.902 1.00 0.00 N ATOM 1638 CA GLN A 105 -1.377 3.587 10.496 1.00 0.00 C ATOM 1639 C GLN A 105 -0.918 3.289 11.920 1.00 0.00 C ATOM 1640 O GLN A 105 0.027 3.899 12.420 1.00 0.00 O ATOM 1641 CB GLN A 105 -2.347 4.778 10.457 1.00 0.00 C ATOM 1642 CG GLN A 105 -2.599 5.434 11.803 1.00 0.00 C ATOM 1643 CD GLN A 105 -3.402 6.717 11.689 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -3.137 7.691 12.395 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -4.388 6.726 10.799 1.00 0.00 N ATOM 0 H GLN A 105 -3.005 2.512 9.734 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.493 3.849 9.915 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -1.953 5.528 9.771 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.299 4.440 10.048 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -3.129 4.735 12.450 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -1.644 5.650 12.282 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.573 5.897 10.235 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.960 7.562 10.680 1.00 0.00 H new ATOM 1654 N GLN A 106 -1.584 2.338 12.560 1.00 0.00 N ATOM 1655 CA GLN A 106 -1.238 1.948 13.920 1.00 0.00 C ATOM 1656 C GLN A 106 0.106 1.227 13.945 1.00 0.00 C ATOM 1657 O GLN A 106 0.839 1.292 14.930 1.00 0.00 O ATOM 1658 CB GLN A 106 -2.326 1.049 14.511 1.00 0.00 C ATOM 1659 CG GLN A 106 -3.640 1.769 14.763 1.00 0.00 C ATOM 1660 CD GLN A 106 -4.728 0.840 15.267 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -4.620 -0.380 15.151 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -5.783 1.417 15.831 1.00 0.00 N ATOM 0 H GLN A 106 -2.367 1.822 12.159 1.00 0.00 H new ATOM 0 HA GLN A 106 -1.161 2.851 14.525 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.503 0.214 13.833 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -1.967 0.627 15.450 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -3.480 2.564 15.491 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.972 2.244 13.840 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.829 2.433 15.906 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.547 0.844 16.190 1.00 0.00 H new ATOM 1671 N ILE A 107 0.420 0.539 12.850 1.00 0.00 N ATOM 1672 CA ILE A 107 1.675 -0.197 12.746 1.00 0.00 C ATOM 1673 C ILE A 107 2.848 0.744 12.487 1.00 0.00 C ATOM 1674 O ILE A 107 3.893 0.630 13.125 1.00 0.00 O ATOM 1675 CB ILE A 107 1.611 -1.262 11.630 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.455 -2.232 11.892 1.00 0.00 C ATOM 1677 CG2 ILE A 107 2.929 -2.017 11.533 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -0.447 -2.436 10.694 1.00 0.00 C ATOM 0 H ILE A 107 -0.176 0.476 12.025 1.00 0.00 H new ATOM 0 HA ILE A 107 1.830 -0.699 13.701 1.00 0.00 H new ATOM 0 HB ILE A 107 1.436 -0.759 10.679 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.862 -3.196 12.198 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -0.140 -1.858 12.725 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.864 -2.763 10.741 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.733 -1.317 11.307 1.00 0.00 H new ATOM 0 HG23 ILE A 107 3.135 -2.512 12.482 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.243 -3.135 10.952 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.883 -1.481 10.400 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.135 -2.839 9.865 1.00 0.00 H new ATOM 1690 N ILE A 108 2.669 1.682 11.561 1.00 0.00 N ATOM 1691 CA ILE A 108 3.727 2.643 11.247 1.00 0.00 C ATOM 1692 C ILE A 108 4.109 3.398 12.496 1.00 0.00 C ATOM 1693 O ILE A 108 5.244 3.333 12.969 1.00 0.00 O ATOM 1694 CB ILE A 108 3.302 3.680 10.185 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.423 3.055 9.107 1.00 0.00 C ATOM 1696 CG2 ILE A 108 4.528 4.328 9.564 1.00 0.00 C ATOM 1697 CD1 ILE A 108 1.476 4.046 8.470 1.00 0.00 C ATOM 0 H ILE A 108 1.813 1.799 11.019 1.00 0.00 H new ATOM 0 HA ILE A 108 4.562 2.066 10.850 1.00 0.00 H new ATOM 0 HB ILE A 108 2.710 4.446 10.686 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.058 2.620 8.335 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.847 2.239 9.543 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.215 5.057 8.817 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.107 4.829 10.340 1.00 0.00 H new ATOM 0 HG23 ILE A 108 5.143 3.563 9.089 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.878 3.542 7.711 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.818 4.463 9.233 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.048 4.849 8.006 1.00 0.00 H new ATOM 1709 N SER A 109 3.131 4.103 13.028 1.00 0.00 N ATOM 1710 CA SER A 109 3.321 4.879 14.246 1.00 0.00 C ATOM 1711 C SER A 109 3.927 4.006 15.340 1.00 0.00 C ATOM 1712 O SER A 109 4.645 4.492 16.214 1.00 0.00 O ATOM 1713 CB SER A 109 1.992 5.470 14.718 1.00 0.00 C ATOM 1714 OG SER A 109 1.380 6.232 13.691 1.00 0.00 O ATOM 0 H SER A 109 2.191 4.157 12.637 1.00 0.00 H new ATOM 0 HA SER A 109 4.007 5.698 14.030 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.323 4.667 15.028 1.00 0.00 H new ATOM 0 HB3 SER A 109 2.160 6.100 15.592 1.00 0.00 H new ATOM 0 HG SER A 109 0.879 5.636 13.096 1.00 0.00 H new ATOM 1720 N ARG A 110 3.635 2.711 15.273 1.00 0.00 N ATOM 1721 CA ARG A 110 4.152 1.758 16.244 1.00 0.00 C ATOM 1722 C ARG A 110 5.669 1.670 16.150 1.00 0.00 C ATOM 1723 O ARG A 110 6.359 1.502 17.155 1.00 0.00 O ATOM 1724 CB ARG A 110 3.532 0.377 16.017 1.00 0.00 C ATOM 1725 CG ARG A 110 2.705 -0.121 17.189 1.00 0.00 C ATOM 1726 CD ARG A 110 2.310 -1.579 17.009 1.00 0.00 C ATOM 1727 NE ARG A 110 1.414 -2.038 18.067 1.00 0.00 N ATOM 1728 CZ ARG A 110 1.055 -3.309 18.236 1.00 0.00 C ATOM 1729 NH1 ARG A 110 1.517 -4.249 17.419 1.00 0.00 N ATOM 1730 NH2 ARG A 110 0.238 -3.641 19.224 1.00 0.00 N ATOM 0 H ARG A 110 3.041 2.298 14.554 1.00 0.00 H new ATOM 0 HA ARG A 110 3.883 2.105 17.242 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.902 0.413 15.128 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.328 -0.340 15.815 1.00 0.00 H new ATOM 0 HG2 ARG A 110 3.274 -0.008 18.112 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.809 0.491 17.290 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.824 -1.706 16.042 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.207 -2.199 16.999 1.00 0.00 H new ATOM 0 HE ARG A 110 1.041 -1.344 18.715 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.149 -3.998 16.659 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.240 -5.222 17.552 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -0.116 -2.923 19.856 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -0.037 -4.615 19.353 1.00 0.00 H new ATOM 1744 N TYR A 111 6.176 1.790 14.933 1.00 0.00 N ATOM 1745 CA TYR A 111 7.612 1.730 14.692 1.00 0.00 C ATOM 1746 C TYR A 111 8.223 3.128 14.711 1.00 0.00 C ATOM 1747 O TYR A 111 9.393 3.299 15.055 1.00 0.00 O ATOM 1748 CB TYR A 111 7.899 1.044 13.355 1.00 0.00 C ATOM 1749 CG TYR A 111 7.600 -0.438 13.363 1.00 0.00 C ATOM 1750 CD1 TYR A 111 8.476 -1.339 13.956 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.441 -0.936 12.783 1.00 0.00 C ATOM 1752 CE1 TYR A 111 8.204 -2.694 13.969 1.00 0.00 C ATOM 1753 CE2 TYR A 111 6.162 -2.289 12.791 1.00 0.00 C ATOM 1754 CZ TYR A 111 7.046 -3.164 13.386 1.00 0.00 C ATOM 1755 OH TYR A 111 6.772 -4.512 13.397 1.00 0.00 O ATOM 0 H TYR A 111 5.614 1.930 14.094 1.00 0.00 H new ATOM 0 HA TYR A 111 8.068 1.146 15.491 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.306 1.522 12.575 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.947 1.194 13.096 1.00 0.00 H new ATOM 0 HD1 TYR A 111 9.384 -0.975 14.414 1.00 0.00 H new ATOM 0 HD2 TYR A 111 5.745 -0.254 12.317 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.895 -3.382 14.434 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.256 -2.659 12.334 1.00 0.00 H new ATOM 0 HH TYR A 111 5.830 -4.656 13.169 1.00 0.00 H new ATOM 1765 N LYS A 112 7.423 4.123 14.342 1.00 0.00 N ATOM 1766 CA LYS A 112 7.885 5.506 14.323 1.00 0.00 C ATOM 1767 C LYS A 112 8.084 6.028 15.740 1.00 0.00 C ATOM 1768 O LYS A 112 9.042 6.749 16.021 1.00 0.00 O ATOM 1769 CB LYS A 112 6.883 6.389 13.572 1.00 0.00 C ATOM 1770 CG LYS A 112 7.374 6.840 12.208 1.00 0.00 C ATOM 1771 CD LYS A 112 7.132 5.776 11.153 1.00 0.00 C ATOM 1772 CE LYS A 112 6.908 6.396 9.786 1.00 0.00 C ATOM 1773 NZ LYS A 112 8.100 7.156 9.318 1.00 0.00 N ATOM 0 H LYS A 112 6.453 3.998 14.052 1.00 0.00 H new ATOM 0 HA LYS A 112 8.844 5.540 13.806 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.949 5.841 13.450 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.660 7.268 14.178 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.865 7.760 11.922 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.439 7.068 12.260 1.00 0.00 H new ATOM 0 HD2 LYS A 112 7.986 5.100 11.113 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.264 5.177 11.430 1.00 0.00 H new ATOM 0 HE2 LYS A 112 6.672 5.612 9.066 1.00 0.00 H new ATOM 0 HE3 LYS A 112 6.046 7.062 9.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.282 6.936 8.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 7.924 8.176 9.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.928 6.888 9.887 1.00 0.00 H new ATOM 1787 N ASP A 113 7.173 5.658 16.635 1.00 0.00 N ATOM 1788 CA ASP A 113 7.246 6.086 18.026 1.00 0.00 C ATOM 1789 C ASP A 113 8.503 5.542 18.696 1.00 0.00 C ATOM 1790 O ASP A 113 9.134 6.224 19.504 1.00 0.00 O ATOM 1791 CB ASP A 113 6.004 5.622 18.791 1.00 0.00 C ATOM 1792 CG ASP A 113 4.747 6.340 18.342 1.00 0.00 C ATOM 1793 OD1 ASP A 113 4.867 7.386 17.671 1.00 0.00 O ATOM 1794 OD2 ASP A 113 3.640 5.858 18.666 1.00 0.00 O ATOM 0 H ASP A 113 6.374 5.061 16.420 1.00 0.00 H new ATOM 0 HA ASP A 113 7.288 7.175 18.044 1.00 0.00 H new ATOM 0 HB2 ASP A 113 5.875 4.549 18.652 1.00 0.00 H new ATOM 0 HB3 ASP A 113 6.154 5.790 19.858 1.00 0.00 H new ATOM 1799 N ALA A 114 8.862 4.309 18.355 1.00 0.00 N ATOM 1800 CA ALA A 114 10.043 3.671 18.924 1.00 0.00 C ATOM 1801 C ALA A 114 11.315 4.404 18.508 1.00 0.00 C ATOM 1802 O ALA A 114 12.280 4.472 19.269 1.00 0.00 O ATOM 1803 CB ALA A 114 10.109 2.213 18.498 1.00 0.00 C ATOM 0 H ALA A 114 8.352 3.731 17.687 1.00 0.00 H new ATOM 0 HA ALA A 114 9.966 3.718 20.010 1.00 0.00 H new ATOM 0 HB1 ALA A 114 10.995 1.748 18.929 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.218 1.691 18.848 1.00 0.00 H new ATOM 0 HB3 ALA A 114 10.161 2.154 17.411 1.00 0.00 H new ATOM 1809 N ASP A 115 11.308 4.953 17.297 1.00 0.00 N ATOM 1810 CA ASP A 115 12.459 5.685 16.775 1.00 0.00 C ATOM 1811 C ASP A 115 13.753 4.902 16.983 1.00 0.00 C ATOM 1812 O ASP A 115 14.838 5.505 16.837 1.00 0.00 O ATOM 1813 CB ASP A 115 12.559 7.051 17.450 1.00 0.00 C ATOM 1814 CG ASP A 115 13.517 7.984 16.736 1.00 0.00 C ATOM 1815 OD1 ASP A 115 13.887 7.685 15.579 1.00 0.00 O ATOM 1816 OD2 ASP A 115 13.900 9.012 17.331 1.00 0.00 O ATOM 1817 OXT ASP A 115 13.671 3.693 17.289 1.00 0.00 O ATOM 0 H ASP A 115 10.516 4.905 16.656 1.00 0.00 H new ATOM 0 HA ASP A 115 12.316 5.822 15.703 1.00 0.00 H new ATOM 0 HB2 ASP A 115 11.570 7.508 17.485 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.886 6.920 18.481 1.00 0.00 H new TER 1822 ASP A 115 ATOM 1823 N LEU B 45 -3.164 2.768 -19.968 1.00 0.00 N ATOM 1824 CA LEU B 45 -3.073 3.732 -18.839 1.00 0.00 C ATOM 1825 C LEU B 45 -1.631 3.900 -18.373 1.00 0.00 C ATOM 1826 O LEU B 45 -0.754 3.116 -18.740 1.00 0.00 O ATOM 1827 CB LEU B 45 -3.943 3.219 -17.690 1.00 0.00 C ATOM 1828 CG LEU B 45 -4.610 4.307 -16.845 1.00 0.00 C ATOM 1829 CD1 LEU B 45 -5.569 5.127 -17.692 1.00 0.00 C ATOM 1830 CD2 LEU B 45 -5.337 3.688 -15.661 1.00 0.00 C ATOM 0 HA LEU B 45 -3.426 4.708 -19.172 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -4.719 2.574 -18.102 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -3.328 2.600 -17.037 1.00 0.00 H new ATOM 0 HG LEU B 45 -3.835 4.972 -16.464 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -6.034 5.896 -17.074 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -5.021 5.599 -18.508 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -6.341 4.475 -18.102 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -5.806 4.475 -15.070 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.102 3.001 -16.023 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -4.625 3.144 -15.041 1.00 0.00 H new ATOM 1842 N SER B 46 -1.390 4.925 -17.564 1.00 0.00 N ATOM 1843 CA SER B 46 -0.054 5.195 -17.047 1.00 0.00 C ATOM 1844 C SER B 46 -0.098 5.504 -15.553 1.00 0.00 C ATOM 1845 O SER B 46 -1.154 5.822 -15.008 1.00 0.00 O ATOM 1846 CB SER B 46 0.580 6.365 -17.803 1.00 0.00 C ATOM 1847 OG SER B 46 1.292 5.912 -18.942 1.00 0.00 O ATOM 0 H SER B 46 -2.103 5.584 -17.252 1.00 0.00 H new ATOM 0 HA SER B 46 0.553 4.302 -17.196 1.00 0.00 H new ATOM 0 HB2 SER B 46 -0.196 7.066 -18.111 1.00 0.00 H new ATOM 0 HB3 SER B 46 1.255 6.907 -17.140 1.00 0.00 H new ATOM 0 HG SER B 46 1.686 6.679 -19.408 1.00 0.00 H new ATOM 1853 N PRO B 47 1.054 5.414 -14.869 1.00 0.00 N ATOM 1854 CA PRO B 47 1.142 5.685 -13.430 1.00 0.00 C ATOM 1855 C PRO B 47 0.529 7.029 -13.054 1.00 0.00 C ATOM 1856 O PRO B 47 -0.179 7.141 -12.053 1.00 0.00 O ATOM 1857 CB PRO B 47 2.647 5.699 -13.164 1.00 0.00 C ATOM 1858 CG PRO B 47 3.228 4.836 -14.230 1.00 0.00 C ATOM 1859 CD PRO B 47 2.361 5.040 -15.442 1.00 0.00 C ATOM 0 HA PRO B 47 0.595 4.946 -12.844 1.00 0.00 H new ATOM 0 HB2 PRO B 47 3.048 6.711 -13.212 1.00 0.00 H new ATOM 0 HB3 PRO B 47 2.877 5.311 -12.172 1.00 0.00 H new ATOM 0 HG2 PRO B 47 4.261 5.114 -14.438 1.00 0.00 H new ATOM 0 HG3 PRO B 47 3.234 3.789 -13.926 1.00 0.00 H new ATOM 0 HD2 PRO B 47 2.754 5.823 -16.090 1.00 0.00 H new ATOM 0 HD3 PRO B 47 2.291 4.134 -16.043 1.00 0.00 H new ATOM 1867 N ASP B 48 0.806 8.045 -13.862 1.00 0.00 N ATOM 1868 CA ASP B 48 0.283 9.385 -13.615 1.00 0.00 C ATOM 1869 C ASP B 48 -1.241 9.373 -13.551 1.00 0.00 C ATOM 1870 O ASP B 48 -1.850 10.193 -12.866 1.00 0.00 O ATOM 1871 CB ASP B 48 0.753 10.348 -14.708 1.00 0.00 C ATOM 1872 CG ASP B 48 2.252 10.575 -14.676 1.00 0.00 C ATOM 1873 OD1 ASP B 48 2.884 10.229 -13.655 1.00 0.00 O ATOM 1874 OD2 ASP B 48 2.795 11.097 -15.673 1.00 0.00 O ATOM 0 H ASP B 48 1.390 7.968 -14.695 1.00 0.00 H new ATOM 0 HA ASP B 48 0.665 9.725 -12.652 1.00 0.00 H new ATOM 0 HB2 ASP B 48 0.469 9.952 -15.683 1.00 0.00 H new ATOM 0 HB3 ASP B 48 0.241 11.303 -14.591 1.00 0.00 H new ATOM 1879 N ASP B 49 -1.849 8.438 -14.273 1.00 0.00 N ATOM 1880 CA ASP B 49 -3.302 8.321 -14.299 1.00 0.00 C ATOM 1881 C ASP B 49 -3.840 7.919 -12.929 1.00 0.00 C ATOM 1882 O ASP B 49 -4.869 8.424 -12.482 1.00 0.00 O ATOM 1883 CB ASP B 49 -3.735 7.299 -15.350 1.00 0.00 C ATOM 1884 CG ASP B 49 -3.286 7.680 -16.748 1.00 0.00 C ATOM 1885 OD1 ASP B 49 -3.014 8.878 -16.977 1.00 0.00 O ATOM 1886 OD2 ASP B 49 -3.207 6.782 -17.612 1.00 0.00 O ATOM 0 H ASP B 49 -1.359 7.752 -14.847 1.00 0.00 H new ATOM 0 HA ASP B 49 -3.715 9.295 -14.560 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -3.325 6.322 -15.093 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -4.821 7.203 -15.334 1.00 0.00 H new ATOM 1891 N ILE B 50 -3.135 7.003 -12.270 1.00 0.00 N ATOM 1892 CA ILE B 50 -3.540 6.530 -10.953 1.00 0.00 C ATOM 1893 C ILE B 50 -3.340 7.607 -9.891 1.00 0.00 C ATOM 1894 O ILE B 50 -3.995 7.595 -8.850 1.00 0.00 O ATOM 1895 CB ILE B 50 -2.753 5.269 -10.546 1.00 0.00 C ATOM 1896 CG1 ILE B 50 -2.779 4.238 -11.677 1.00 0.00 C ATOM 1897 CG2 ILE B 50 -3.325 4.673 -9.266 1.00 0.00 C ATOM 1898 CD1 ILE B 50 -4.176 3.843 -12.103 1.00 0.00 C ATOM 0 H ILE B 50 -2.281 6.575 -12.628 1.00 0.00 H new ATOM 0 HA ILE B 50 -4.600 6.285 -11.018 1.00 0.00 H new ATOM 0 HB ILE B 50 -1.717 5.552 -10.359 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -2.246 4.642 -12.538 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -2.240 3.346 -11.357 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.757 3.783 -8.993 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -3.259 5.406 -8.462 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -4.369 4.402 -9.425 1.00 0.00 H new ATOM 0 HD11 ILE B 50 -4.117 3.110 -12.908 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -4.706 3.409 -11.255 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -4.712 4.725 -12.454 1.00 0.00 H new ATOM 1910 N GLU B 51 -2.430 8.533 -10.163 1.00 0.00 N ATOM 1911 CA GLU B 51 -2.140 9.617 -9.232 1.00 0.00 C ATOM 1912 C GLU B 51 -3.356 10.519 -9.045 1.00 0.00 C ATOM 1913 O GLU B 51 -3.583 11.054 -7.960 1.00 0.00 O ATOM 1914 CB GLU B 51 -0.952 10.441 -9.732 1.00 0.00 C ATOM 1915 CG GLU B 51 0.351 9.660 -9.785 1.00 0.00 C ATOM 1916 CD GLU B 51 1.525 10.512 -10.230 1.00 0.00 C ATOM 1917 OE1 GLU B 51 1.292 11.635 -10.723 1.00 0.00 O ATOM 1918 OE2 GLU B 51 2.678 10.054 -10.085 1.00 0.00 O ATOM 0 H GLU B 51 -1.879 8.556 -11.021 1.00 0.00 H new ATOM 0 HA GLU B 51 -1.889 9.175 -8.268 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -1.178 10.822 -10.728 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -0.821 11.306 -9.082 1.00 0.00 H new ATOM 0 HG2 GLU B 51 0.561 9.245 -8.800 1.00 0.00 H new ATOM 0 HG3 GLU B 51 0.238 8.818 -10.468 1.00 0.00 H new ATOM 1925 N GLN B 52 -4.133 10.688 -10.110 1.00 0.00 N ATOM 1926 CA GLN B 52 -5.323 11.528 -10.063 1.00 0.00 C ATOM 1927 C GLN B 52 -6.362 10.959 -9.102 1.00 0.00 C ATOM 1928 O GLN B 52 -7.140 11.702 -8.504 1.00 0.00 O ATOM 1929 CB GLN B 52 -5.925 11.678 -11.461 1.00 0.00 C ATOM 1930 CG GLN B 52 -5.760 13.071 -12.041 1.00 0.00 C ATOM 1931 CD GLN B 52 -5.517 13.056 -13.537 1.00 0.00 C ATOM 1932 OE1 GLN B 52 -4.691 13.810 -14.051 1.00 0.00 O ATOM 1933 NE2 GLN B 52 -6.240 12.198 -14.246 1.00 0.00 N ATOM 0 H GLN B 52 -3.959 10.254 -11.016 1.00 0.00 H new ATOM 0 HA GLN B 52 -5.025 12.511 -9.698 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -5.457 10.956 -12.130 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -6.986 11.433 -11.420 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -6.654 13.657 -11.828 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -4.926 13.570 -11.546 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -6.914 11.591 -13.779 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -6.122 12.146 -15.258 1.00 0.00 H new ATOM 1942 N TRP B 53 -6.368 9.638 -8.957 1.00 0.00 N ATOM 1943 CA TRP B 53 -7.313 8.972 -8.066 1.00 0.00 C ATOM 1944 C TRP B 53 -7.225 9.541 -6.652 1.00 0.00 C ATOM 1945 O TRP B 53 -8.206 9.536 -5.909 1.00 0.00 O ATOM 1946 CB TRP B 53 -7.046 7.466 -8.038 1.00 0.00 C ATOM 1947 CG TRP B 53 -7.457 6.766 -9.298 1.00 0.00 C ATOM 1948 CD1 TRP B 53 -6.941 6.958 -10.547 1.00 0.00 C ATOM 1949 CD2 TRP B 53 -8.468 5.761 -9.430 1.00 0.00 C ATOM 1950 NE1 TRP B 53 -7.572 6.134 -11.449 1.00 0.00 N ATOM 1951 CE2 TRP B 53 -8.513 5.388 -10.787 1.00 0.00 C ATOM 1952 CE3 TRP B 53 -9.341 5.138 -8.532 1.00 0.00 C ATOM 1953 CZ2 TRP B 53 -9.394 4.423 -11.265 1.00 0.00 C ATOM 1954 CZ3 TRP B 53 -10.215 4.180 -9.010 1.00 0.00 C ATOM 1955 CH2 TRP B 53 -10.236 3.830 -10.365 1.00 0.00 C ATOM 0 H TRP B 53 -5.731 9.008 -9.444 1.00 0.00 H new ATOM 0 HA TRP B 53 -8.318 9.150 -8.448 1.00 0.00 H new ATOM 0 HB2 TRP B 53 -5.983 7.296 -7.867 1.00 0.00 H new ATOM 0 HB3 TRP B 53 -7.579 7.025 -7.196 1.00 0.00 H new ATOM 0 HD1 TRP B 53 -6.153 7.655 -10.791 1.00 0.00 H new ATOM 0 HE1 TRP B 53 -7.373 6.086 -12.448 1.00 0.00 H new ATOM 0 HE3 TRP B 53 -9.332 5.401 -7.484 1.00 0.00 H new ATOM 0 HZ2 TRP B 53 -9.412 4.152 -12.310 1.00 0.00 H new ATOM 0 HZ3 TRP B 53 -10.894 3.693 -8.326 1.00 0.00 H new ATOM 0 HH2 TRP B 53 -10.931 3.077 -10.707 1.00 0.00 H new ATOM 1966 N PHE B 54 -6.042 10.028 -6.288 1.00 0.00 N ATOM 1967 CA PHE B 54 -5.827 10.598 -4.962 1.00 0.00 C ATOM 1968 C PHE B 54 -5.500 12.089 -5.041 1.00 0.00 C ATOM 1969 O PHE B 54 -5.528 12.788 -4.028 1.00 0.00 O ATOM 1970 CB PHE B 54 -4.697 9.855 -4.249 1.00 0.00 C ATOM 1971 CG PHE B 54 -4.957 8.385 -4.083 1.00 0.00 C ATOM 1972 CD1 PHE B 54 -4.733 7.508 -5.132 1.00 0.00 C ATOM 1973 CD2 PHE B 54 -5.424 7.881 -2.881 1.00 0.00 C ATOM 1974 CE1 PHE B 54 -4.971 6.153 -4.984 1.00 0.00 C ATOM 1975 CE2 PHE B 54 -5.664 6.528 -2.727 1.00 0.00 C ATOM 1976 CZ PHE B 54 -5.436 5.664 -3.779 1.00 0.00 C ATOM 0 H PHE B 54 -5.220 10.039 -6.891 1.00 0.00 H new ATOM 0 HA PHE B 54 -6.751 10.485 -4.395 1.00 0.00 H new ATOM 0 HB2 PHE B 54 -3.773 9.991 -4.810 1.00 0.00 H new ATOM 0 HB3 PHE B 54 -4.542 10.302 -3.267 1.00 0.00 H new ATOM 0 HD1 PHE B 54 -4.369 7.886 -6.076 1.00 0.00 H new ATOM 0 HD2 PHE B 54 -5.603 8.552 -2.054 1.00 0.00 H new ATOM 0 HE1 PHE B 54 -4.793 5.479 -5.809 1.00 0.00 H new ATOM 0 HE2 PHE B 54 -6.029 6.148 -1.785 1.00 0.00 H new ATOM 0 HZ PHE B 54 -5.621 4.607 -3.660 1.00 0.00 H new ATOM 1986 N THR B 55 -5.190 12.574 -6.242 1.00 0.00 N ATOM 1987 CA THR B 55 -4.860 13.981 -6.429 1.00 0.00 C ATOM 1988 C THR B 55 -6.128 14.819 -6.590 1.00 0.00 C ATOM 1989 O THR B 55 -6.147 16.002 -6.248 1.00 0.00 O ATOM 1990 CB THR B 55 -3.935 14.143 -7.637 1.00 0.00 C ATOM 1991 OG1 THR B 55 -2.594 14.316 -7.216 1.00 0.00 O ATOM 1992 CG2 THR B 55 -4.284 15.311 -8.534 1.00 0.00 C ATOM 0 H THR B 55 -5.161 12.015 -7.095 1.00 0.00 H new ATOM 0 HA THR B 55 -4.338 14.341 -5.543 1.00 0.00 H new ATOM 0 HB THR B 55 -4.065 13.226 -8.212 1.00 0.00 H new ATOM 0 HG1 THR B 55 -2.015 14.416 -8.000 1.00 0.00 H new ATOM 0 HG21 THR B 55 -3.580 15.354 -9.365 1.00 0.00 H new ATOM 0 HG22 THR B 55 -5.295 15.183 -8.921 1.00 0.00 H new ATOM 0 HG23 THR B 55 -4.228 16.238 -7.963 1.00 0.00 H new ATOM 2000 N GLU B 56 -7.184 14.200 -7.108 1.00 0.00 N ATOM 2001 CA GLU B 56 -8.450 14.892 -7.309 1.00 0.00 C ATOM 2002 C GLU B 56 -9.162 15.119 -5.978 1.00 0.00 C ATOM 2003 O GLU B 56 -9.554 14.166 -5.303 1.00 0.00 O ATOM 2004 CB GLU B 56 -9.350 14.092 -8.252 1.00 0.00 C ATOM 2005 CG GLU B 56 -8.805 13.984 -9.666 1.00 0.00 C ATOM 2006 CD GLU B 56 -8.668 15.334 -10.343 1.00 0.00 C ATOM 2007 OE1 GLU B 56 -9.293 16.304 -9.867 1.00 0.00 O ATOM 2008 OE2 GLU B 56 -7.933 15.421 -11.350 1.00 0.00 O ATOM 0 H GLU B 56 -7.187 13.221 -7.396 1.00 0.00 H new ATOM 0 HA GLU B 56 -8.238 15.862 -7.758 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -9.487 13.089 -7.847 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -10.334 14.560 -8.285 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -7.831 13.494 -9.640 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -9.465 13.350 -10.258 1.00 0.00 H new ATOM 2015 N ASP B 57 -9.321 16.384 -5.606 1.00 0.00 N ATOM 2016 CA ASP B 57 -9.983 16.734 -4.356 1.00 0.00 C ATOM 2017 C ASP B 57 -10.718 18.067 -4.484 1.00 0.00 C ATOM 2018 O ASP B 57 -10.478 18.830 -5.419 1.00 0.00 O ATOM 2019 CB ASP B 57 -8.963 16.807 -3.218 1.00 0.00 C ATOM 2020 CG ASP B 57 -8.869 15.508 -2.444 1.00 0.00 C ATOM 2021 OD1 ASP B 57 -8.410 14.501 -3.025 1.00 0.00 O ATOM 2022 OD2 ASP B 57 -9.253 15.495 -1.255 1.00 0.00 O ATOM 0 H ASP B 57 -9.001 17.184 -6.152 1.00 0.00 H new ATOM 0 HA ASP B 57 -10.714 15.957 -4.130 1.00 0.00 H new ATOM 0 HB2 ASP B 57 -7.983 17.055 -3.627 1.00 0.00 H new ATOM 0 HB3 ASP B 57 -9.238 17.613 -2.538 1.00 0.00 H new ATOM 2027 N PRO B 58 -11.626 18.366 -3.539 1.00 0.00 N ATOM 2028 CA PRO B 58 -12.395 19.613 -3.549 1.00 0.00 C ATOM 2029 C PRO B 58 -11.529 20.831 -3.245 1.00 0.00 C ATOM 2030 O PRO B 58 -10.382 20.640 -2.789 1.00 0.00 O ATOM 2031 CB PRO B 58 -13.432 19.403 -2.443 1.00 0.00 C ATOM 2032 CG PRO B 58 -12.805 18.416 -1.521 1.00 0.00 C ATOM 2033 CD PRO B 58 -11.973 17.511 -2.388 1.00 0.00 C ATOM 0 HA PRO B 58 -12.832 19.813 -4.527 1.00 0.00 H new ATOM 0 HB2 PRO B 58 -13.658 20.337 -1.929 1.00 0.00 H new ATOM 0 HB3 PRO B 58 -14.372 19.026 -2.847 1.00 0.00 H new ATOM 0 HG2 PRO B 58 -12.188 18.916 -0.774 1.00 0.00 H new ATOM 0 HG3 PRO B 58 -13.564 17.850 -0.981 1.00 0.00 H new ATOM 0 HD2 PRO B 58 -11.083 17.160 -1.865 1.00 0.00 H new ATOM 0 HD3 PRO B 58 -12.530 16.627 -2.698 1.00 0.00 H new TER 2041 PRO B 58