USER MOD reduce.3.24.130724 H: found=0, std=0, add=1053, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1056 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 55 SER OG : rot 77:sc= 1.38 USER MOD Set 1.2: B 256 SER OG : rot -62:sc= 1.07 USER MOD Set 2.1: A 28 THR OG1 : rot 180:sc=-0.00326 USER MOD Set 2.2: A 39 THR OG1 : rot 180:sc=-0.00765 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.27) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -2.01 F(o=-3.5!,f=-2) USER MOD Single : A 23 SER OG : rot 180:sc= 0.0183 USER MOD Single : A 31 SER OG : rot -23:sc= 1.05 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 149:sc= -0.449 (180deg=-1.84!) USER MOD Single : A 38 HIS : no HD1:sc= -0.0294 X(o=-0.029,f=-0.5) USER MOD Single : A 43 SER OG : rot 92:sc= 0.0668 USER MOD Single : A 44 THR OG1 : rot -5:sc= 0.981 USER MOD Single : A 47 LYS NZ :NH3+ 177:sc= 0.922 (180deg=0.78) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0554 F(o=-1.2!,f=-0.055) USER MOD Single : A 51 THR OG1 : rot 2:sc= -1.22! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -106:sc= 0 (180deg=-1.32!) USER MOD Single : A 65 LYS NZ :NH3+ -162:sc= 0.577 (180deg=-0.114) USER MOD Single : A 69 SER OG : rot 180:sc= -0.919 USER MOD Single : A 70 LYS NZ :NH3+ 163:sc= -0.0626 (180deg=-0.306) USER MOD Single : A 71 LYS NZ :NH3+ -171:sc= 1.26 (180deg=1.25) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN :FLIP amide:sc= 0.0132 F(o=-1.2,f=0.013) USER MOD Single : A 78 ASN :FLIP amide:sc= -0.519 F(o=-2.6,f=-0.52) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -1.71! C(o=-1.7!,f=-2!) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -0.198 F(o=-0.89,f=-0.2) USER MOD Single : A 88 MET CE :methyl 166:sc= -5.57! (180deg=-5.87!) USER MOD Single : A 90 SER OG : rot -59:sc= 1.42 USER MOD Single : A 92 ASN : amide:sc= -0.488 X(o=-0.49,f=-0.095) USER MOD Single : A 93 ASN : amide:sc= 0.591 K(o=0.59,f=-9.4!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -159:sc= -3.21! (180deg=-4.88!) USER MOD Single : A 99 ASN : amide:sc= -6.97! C(o=-7!,f=-9.8!) USER MOD Single : A 101 LYS NZ :NH3+ -167:sc= -1.42 (180deg=-2.17) USER MOD Single : A 102 MET CE :methyl 153:sc= -0.206 (180deg=-0.828) USER MOD Single : A 103 THR OG1 : rot 97:sc= 1.26 USER MOD Single : A 105 GLN : amide:sc= -1.07 K(o=-1.1,f=-5.7!) USER MOD Single : A 106 GLN : amide:sc= 1.11 K(o=1.1,f=-0.018) USER MOD Single : A 109 SER OG : rot 87:sc= 0.767 USER MOD Single : A 111 TYR OH : rot 150:sc= -1.94! USER MOD Single : A 112 LYS NZ :NH3+ 157:sc=-0.00132 (180deg=-0.216) USER MOD Single : B 246 TYR OH : rot 180:sc= 0 USER MOD Single : B 250 MET CE :methyl -163:sc= -0.0596 (180deg=-0.413) USER MOD Single : B 252 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 17.544 -7.822 1.672 1.00 2.67 N ATOM 2 CA PRO A 1 17.115 -6.409 1.711 1.00 2.00 C ATOM 3 C PRO A 1 15.741 -6.308 2.346 1.00 1.62 C ATOM 4 O PRO A 1 14.985 -7.276 2.346 1.00 2.41 O ATOM 5 CB PRO A 1 17.081 -5.865 0.290 1.00 2.55 C ATOM 6 CG PRO A 1 17.328 -7.063 -0.554 1.00 3.07 C ATOM 7 CD PRO A 1 18.076 -8.047 0.317 1.00 3.14 C ATOM 0 H2 PRO A 1 16.761 -8.447 1.865 1.00 2.67 H new ATOM 0 H3 PRO A 1 18.255 -8.007 2.379 1.00 2.67 H new ATOM 0 HA PRO A 1 17.816 -5.824 2.306 1.00 2.00 H new ATOM 0 HB2 PRO A 1 16.120 -5.405 0.061 1.00 2.55 H new ATOM 0 HB3 PRO A 1 17.844 -5.102 0.135 1.00 2.55 H new ATOM 0 HG2 PRO A 1 16.389 -7.491 -0.907 1.00 3.07 H new ATOM 0 HG3 PRO A 1 17.912 -6.803 -1.437 1.00 3.07 H new ATOM 0 HD2 PRO A 1 17.908 -9.073 -0.010 1.00 3.14 H new ATOM 0 HD3 PRO A 1 19.151 -7.873 0.279 1.00 3.14 H new ATOM 17 N SER A 2 15.427 -5.148 2.895 1.00 0.89 N ATOM 18 CA SER A 2 14.145 -4.945 3.548 1.00 0.52 C ATOM 19 C SER A 2 13.423 -3.737 2.967 1.00 0.49 C ATOM 20 O SER A 2 12.228 -3.786 2.692 1.00 1.09 O ATOM 21 CB SER A 2 14.350 -4.766 5.052 1.00 0.74 C ATOM 22 OG SER A 2 15.317 -3.760 5.315 1.00 1.40 O ATOM 0 H SER A 2 16.041 -4.333 2.902 1.00 0.89 H new ATOM 0 HA SER A 2 13.526 -5.825 3.373 1.00 0.52 H new ATOM 0 HB2 SER A 2 13.404 -4.499 5.523 1.00 0.74 H new ATOM 0 HB3 SER A 2 14.671 -5.709 5.494 1.00 0.74 H new ATOM 0 HG SER A 2 15.431 -3.661 6.283 1.00 1.40 H new ATOM 28 N HIS A 3 14.155 -2.658 2.758 1.00 0.35 N ATOM 29 CA HIS A 3 13.557 -1.427 2.269 1.00 0.24 C ATOM 30 C HIS A 3 13.754 -1.294 0.761 1.00 0.16 C ATOM 31 O HIS A 3 13.786 -0.199 0.212 1.00 0.19 O ATOM 32 CB HIS A 3 14.115 -0.211 3.022 1.00 0.32 C ATOM 33 CG HIS A 3 15.586 0.004 2.872 1.00 0.71 C ATOM 34 ND1 HIS A 3 16.526 -0.626 3.657 1.00 1.12 N ATOM 35 CD2 HIS A 3 16.275 0.800 2.026 1.00 1.43 C ATOM 36 CE1 HIS A 3 17.730 -0.230 3.298 1.00 1.64 C ATOM 37 NE2 HIS A 3 17.606 0.637 2.308 1.00 1.85 N ATOM 0 H HIS A 3 15.161 -2.608 2.918 1.00 0.35 H new ATOM 0 HA HIS A 3 12.485 -1.465 2.460 1.00 0.24 H new ATOM 0 HB2 HIS A 3 13.595 0.682 2.675 1.00 0.32 H new ATOM 0 HB3 HIS A 3 13.885 -0.322 4.082 1.00 0.32 H new ATOM 0 HD2 HIS A 3 15.855 1.445 1.268 1.00 1.43 H new ATOM 0 HE1 HIS A 3 18.660 -0.558 3.738 1.00 1.64 H new ATOM 0 HE2 HIS A 3 18.375 1.108 1.832 1.00 1.85 H new ATOM 46 N SER A 4 13.892 -2.431 0.111 1.00 0.14 N ATOM 47 CA SER A 4 13.949 -2.506 -1.342 1.00 0.13 C ATOM 48 C SER A 4 13.679 -3.944 -1.783 1.00 0.15 C ATOM 49 O SER A 4 14.205 -4.895 -1.197 1.00 0.24 O ATOM 50 CB SER A 4 15.297 -2.013 -1.882 1.00 0.17 C ATOM 51 OG SER A 4 16.383 -2.761 -1.358 1.00 0.95 O ATOM 0 H SER A 4 13.969 -3.336 0.574 1.00 0.14 H new ATOM 0 HA SER A 4 13.183 -1.850 -1.755 1.00 0.13 H new ATOM 0 HB2 SER A 4 15.300 -2.083 -2.970 1.00 0.17 H new ATOM 0 HB3 SER A 4 15.426 -0.960 -1.630 1.00 0.17 H new ATOM 0 HG SER A 4 17.224 -2.419 -1.726 1.00 0.95 H new ATOM 57 N GLY A 5 12.842 -4.098 -2.790 1.00 0.14 N ATOM 58 CA GLY A 5 12.475 -5.409 -3.271 1.00 0.15 C ATOM 59 C GLY A 5 11.658 -5.303 -4.533 1.00 0.15 C ATOM 60 O GLY A 5 10.927 -4.334 -4.713 1.00 0.16 O ATOM 0 H GLY A 5 12.403 -3.325 -3.291 1.00 0.14 H new ATOM 0 HA2 GLY A 5 13.373 -5.997 -3.461 1.00 0.15 H new ATOM 0 HA3 GLY A 5 11.905 -5.936 -2.506 1.00 0.15 H new ATOM 64 N ALA A 6 11.782 -6.274 -5.412 1.00 0.16 N ATOM 65 CA ALA A 6 11.107 -6.215 -6.695 1.00 0.17 C ATOM 66 C ALA A 6 9.608 -6.509 -6.554 1.00 0.21 C ATOM 67 O ALA A 6 9.217 -7.465 -5.882 1.00 0.43 O ATOM 68 CB ALA A 6 11.752 -7.178 -7.676 1.00 0.21 C ATOM 0 H ALA A 6 12.342 -7.113 -5.264 1.00 0.16 H new ATOM 0 HA ALA A 6 11.209 -5.201 -7.081 1.00 0.17 H new ATOM 0 HB1 ALA A 6 11.235 -7.122 -8.634 1.00 0.21 H new ATOM 0 HB2 ALA A 6 12.800 -6.910 -7.813 1.00 0.21 H new ATOM 0 HB3 ALA A 6 11.685 -8.194 -7.286 1.00 0.21 H new ATOM 74 N ALA A 7 8.775 -5.692 -7.192 1.00 0.11 N ATOM 75 CA ALA A 7 7.326 -5.871 -7.132 1.00 0.12 C ATOM 76 C ALA A 7 6.675 -5.588 -8.480 1.00 0.12 C ATOM 77 O ALA A 7 7.213 -4.862 -9.306 1.00 0.13 O ATOM 78 CB ALA A 7 6.709 -4.965 -6.076 1.00 0.12 C ATOM 0 H ALA A 7 9.078 -4.899 -7.757 1.00 0.11 H new ATOM 0 HA ALA A 7 7.143 -6.912 -6.865 1.00 0.12 H new ATOM 0 HB1 ALA A 7 5.630 -5.117 -6.051 1.00 0.12 H new ATOM 0 HB2 ALA A 7 7.132 -5.204 -5.100 1.00 0.12 H new ATOM 0 HB3 ALA A 7 6.923 -3.924 -6.319 1.00 0.12 H new ATOM 84 N ILE A 8 5.507 -6.163 -8.678 1.00 0.15 N ATOM 85 CA ILE A 8 4.716 -5.960 -9.882 1.00 0.19 C ATOM 86 C ILE A 8 3.645 -4.922 -9.598 1.00 0.22 C ATOM 87 O ILE A 8 2.718 -5.165 -8.831 1.00 0.26 O ATOM 88 CB ILE A 8 4.037 -7.278 -10.350 1.00 0.23 C ATOM 89 CG1 ILE A 8 5.047 -8.285 -10.925 1.00 0.26 C ATOM 90 CG2 ILE A 8 2.957 -6.982 -11.375 1.00 0.29 C ATOM 91 CD1 ILE A 8 5.993 -8.882 -9.904 1.00 0.25 C ATOM 0 H ILE A 8 5.072 -6.792 -8.003 1.00 0.15 H new ATOM 0 HA ILE A 8 5.382 -5.622 -10.676 1.00 0.19 H new ATOM 0 HB ILE A 8 3.587 -7.735 -9.469 1.00 0.23 H new ATOM 0 HG12 ILE A 8 4.499 -9.093 -11.409 1.00 0.26 H new ATOM 0 HG13 ILE A 8 5.634 -7.790 -11.699 1.00 0.26 H new ATOM 0 HG21 ILE A 8 2.491 -7.915 -11.693 1.00 0.29 H new ATOM 0 HG22 ILE A 8 2.202 -6.332 -10.931 1.00 0.29 H new ATOM 0 HG23 ILE A 8 3.401 -6.486 -12.238 1.00 0.29 H new ATOM 0 HD11 ILE A 8 6.669 -9.580 -10.398 1.00 0.25 H new ATOM 0 HD12 ILE A 8 6.572 -8.086 -9.436 1.00 0.25 H new ATOM 0 HD13 ILE A 8 5.420 -9.410 -9.142 1.00 0.25 H new ATOM 103 N PHE A 9 3.781 -3.764 -10.201 1.00 0.28 N ATOM 104 CA PHE A 9 2.849 -2.688 -9.957 1.00 0.34 C ATOM 105 C PHE A 9 1.988 -2.446 -11.185 1.00 0.46 C ATOM 106 O PHE A 9 2.479 -1.976 -12.204 1.00 0.52 O ATOM 107 CB PHE A 9 3.610 -1.423 -9.556 1.00 0.35 C ATOM 108 CG PHE A 9 2.762 -0.190 -9.446 1.00 0.40 C ATOM 109 CD1 PHE A 9 1.931 0.007 -8.355 1.00 0.40 C ATOM 110 CD2 PHE A 9 2.810 0.780 -10.431 1.00 0.50 C ATOM 111 CE1 PHE A 9 1.164 1.150 -8.252 1.00 0.45 C ATOM 112 CE2 PHE A 9 2.045 1.921 -10.335 1.00 0.56 C ATOM 113 CZ PHE A 9 1.221 2.107 -9.245 1.00 0.52 C ATOM 0 H PHE A 9 4.526 -3.543 -10.862 1.00 0.28 H new ATOM 0 HA PHE A 9 2.188 -2.965 -9.136 1.00 0.34 H new ATOM 0 HB2 PHE A 9 4.099 -1.598 -8.598 1.00 0.35 H new ATOM 0 HB3 PHE A 9 4.398 -1.242 -10.287 1.00 0.35 H new ATOM 0 HD1 PHE A 9 1.883 -0.741 -7.578 1.00 0.40 H new ATOM 0 HD2 PHE A 9 3.455 0.641 -11.286 1.00 0.50 H new ATOM 0 HE1 PHE A 9 0.521 1.295 -7.397 1.00 0.45 H new ATOM 0 HE2 PHE A 9 2.090 2.669 -11.112 1.00 0.56 H new ATOM 0 HZ PHE A 9 0.620 3.001 -9.168 1.00 0.52 H new ATOM 123 N GLU A 10 0.710 -2.795 -11.082 1.00 0.58 N ATOM 124 CA GLU A 10 -0.236 -2.650 -12.186 1.00 0.73 C ATOM 125 C GLU A 10 0.169 -3.537 -13.356 1.00 0.64 C ATOM 126 O GLU A 10 0.215 -3.109 -14.514 1.00 0.67 O ATOM 127 CB GLU A 10 -0.363 -1.189 -12.621 1.00 0.87 C ATOM 128 CG GLU A 10 -0.750 -0.265 -11.476 1.00 0.98 C ATOM 129 CD GLU A 10 -1.156 1.121 -11.936 1.00 1.21 C ATOM 130 OE1 GLU A 10 -0.320 1.811 -12.559 1.00 1.25 O ATOM 131 OE2 GLU A 10 -2.308 1.531 -11.678 1.00 1.46 O ATOM 0 H GLU A 10 0.300 -3.186 -10.234 1.00 0.58 H new ATOM 0 HA GLU A 10 -1.216 -2.973 -11.835 1.00 0.73 H new ATOM 0 HB2 GLU A 10 0.585 -0.857 -13.045 1.00 0.87 H new ATOM 0 HB3 GLU A 10 -1.110 -1.113 -13.411 1.00 0.87 H new ATOM 0 HG2 GLU A 10 -1.574 -0.712 -10.920 1.00 0.98 H new ATOM 0 HG3 GLU A 10 0.090 -0.180 -10.787 1.00 0.98 H new ATOM 138 N LYS A 11 0.486 -4.776 -13.002 1.00 0.58 N ATOM 139 CA LYS A 11 0.718 -5.874 -13.941 1.00 0.55 C ATOM 140 C LYS A 11 2.088 -5.807 -14.618 1.00 0.49 C ATOM 141 O LYS A 11 2.464 -6.724 -15.349 1.00 0.56 O ATOM 142 CB LYS A 11 -0.400 -5.960 -14.974 1.00 0.65 C ATOM 143 CG LYS A 11 -1.771 -5.943 -14.331 1.00 0.74 C ATOM 144 CD LYS A 11 -2.010 -7.135 -13.444 1.00 1.29 C ATOM 145 CE LYS A 11 -3.086 -6.841 -12.423 1.00 1.32 C ATOM 146 NZ LYS A 11 -3.245 -7.943 -11.440 1.00 1.91 N ATOM 0 H LYS A 11 0.593 -5.056 -12.027 1.00 0.58 H new ATOM 0 HA LYS A 11 0.713 -6.789 -13.348 1.00 0.55 H new ATOM 0 HB2 LYS A 11 -0.316 -5.125 -15.669 1.00 0.65 H new ATOM 0 HB3 LYS A 11 -0.285 -6.874 -15.557 1.00 0.65 H new ATOM 0 HG2 LYS A 11 -1.882 -5.031 -13.745 1.00 0.74 H new ATOM 0 HG3 LYS A 11 -2.533 -5.916 -15.110 1.00 0.74 H new ATOM 0 HD2 LYS A 11 -2.303 -7.992 -14.051 1.00 1.29 H new ATOM 0 HD3 LYS A 11 -1.085 -7.406 -12.935 1.00 1.29 H new ATOM 0 HE2 LYS A 11 -2.841 -5.919 -11.896 1.00 1.32 H new ATOM 0 HE3 LYS A 11 -4.034 -6.674 -12.935 1.00 1.32 H new ATOM 0 HZ1 LYS A 11 -3.993 -7.697 -10.761 1.00 1.91 H new ATOM 0 HZ2 LYS A 11 -3.504 -8.818 -11.938 1.00 1.91 H new ATOM 0 HZ3 LYS A 11 -2.349 -8.087 -10.932 1.00 1.91 H new ATOM 160 N VAL A 12 2.838 -4.738 -14.377 1.00 0.44 N ATOM 161 CA VAL A 12 4.211 -4.662 -14.864 1.00 0.42 C ATOM 162 C VAL A 12 5.192 -5.010 -13.748 1.00 0.35 C ATOM 163 O VAL A 12 5.066 -4.531 -12.620 1.00 0.30 O ATOM 164 CB VAL A 12 4.570 -3.274 -15.460 1.00 0.47 C ATOM 165 CG1 VAL A 12 3.960 -2.147 -14.654 1.00 0.47 C ATOM 166 CG2 VAL A 12 6.080 -3.107 -15.528 1.00 0.46 C ATOM 0 H VAL A 12 2.524 -3.921 -13.854 1.00 0.44 H new ATOM 0 HA VAL A 12 4.291 -5.390 -15.672 1.00 0.42 H new ATOM 0 HB VAL A 12 4.155 -3.228 -16.467 1.00 0.47 H new ATOM 0 HG11 VAL A 12 4.233 -1.191 -15.101 1.00 0.47 H new ATOM 0 HG12 VAL A 12 2.875 -2.249 -14.649 1.00 0.47 H new ATOM 0 HG13 VAL A 12 4.333 -2.188 -13.631 1.00 0.47 H new ATOM 0 HG21 VAL A 12 6.319 -2.130 -15.948 1.00 0.46 H new ATOM 0 HG22 VAL A 12 6.500 -3.184 -14.525 1.00 0.46 H new ATOM 0 HG23 VAL A 12 6.504 -3.887 -16.160 1.00 0.46 H new ATOM 176 N SER A 13 6.158 -5.855 -14.070 1.00 0.35 N ATOM 177 CA SER A 13 7.170 -6.261 -13.113 1.00 0.30 C ATOM 178 C SER A 13 8.223 -5.170 -12.953 1.00 0.28 C ATOM 179 O SER A 13 8.803 -4.689 -13.933 1.00 0.40 O ATOM 180 CB SER A 13 7.820 -7.574 -13.559 1.00 0.34 C ATOM 181 OG SER A 13 8.709 -8.078 -12.572 1.00 1.02 O ATOM 0 H SER A 13 6.261 -6.275 -14.994 1.00 0.35 H new ATOM 0 HA SER A 13 6.693 -6.419 -12.146 1.00 0.30 H new ATOM 0 HB2 SER A 13 7.046 -8.313 -13.764 1.00 0.34 H new ATOM 0 HB3 SER A 13 8.362 -7.414 -14.491 1.00 0.34 H new ATOM 0 HG SER A 13 9.106 -8.917 -12.887 1.00 1.02 H new ATOM 187 N GLY A 14 8.451 -4.774 -11.713 1.00 0.16 N ATOM 188 CA GLY A 14 9.420 -3.747 -11.432 1.00 0.14 C ATOM 189 C GLY A 14 10.058 -3.913 -10.081 1.00 0.12 C ATOM 190 O GLY A 14 10.052 -5.004 -9.517 1.00 0.14 O ATOM 0 H GLY A 14 7.977 -5.151 -10.892 1.00 0.16 H new ATOM 0 HA2 GLY A 14 10.193 -3.762 -12.200 1.00 0.14 H new ATOM 0 HA3 GLY A 14 8.937 -2.771 -11.485 1.00 0.14 H new ATOM 194 N ILE A 15 10.624 -2.837 -9.570 1.00 0.11 N ATOM 195 CA ILE A 15 11.311 -2.860 -8.298 1.00 0.12 C ATOM 196 C ILE A 15 10.764 -1.791 -7.375 1.00 0.10 C ATOM 197 O ILE A 15 10.250 -0.785 -7.823 1.00 0.08 O ATOM 198 CB ILE A 15 12.824 -2.640 -8.461 1.00 0.15 C ATOM 199 CG1 ILE A 15 13.358 -3.408 -9.669 1.00 0.17 C ATOM 200 CG2 ILE A 15 13.576 -3.051 -7.203 1.00 0.17 C ATOM 201 CD1 ILE A 15 13.385 -4.907 -9.531 1.00 0.19 C ATOM 0 H ILE A 15 10.619 -1.925 -10.026 1.00 0.11 H new ATOM 0 HA ILE A 15 11.142 -3.847 -7.868 1.00 0.12 H new ATOM 0 HB ILE A 15 12.987 -1.575 -8.626 1.00 0.15 H new ATOM 0 HG12 ILE A 15 12.750 -3.153 -10.537 1.00 0.17 H new ATOM 0 HG13 ILE A 15 14.371 -3.063 -9.877 1.00 0.17 H new ATOM 0 HG21 ILE A 15 14.644 -2.885 -7.347 1.00 0.17 H new ATOM 0 HG22 ILE A 15 13.226 -2.456 -6.359 1.00 0.17 H new ATOM 0 HG23 ILE A 15 13.397 -4.107 -7.001 1.00 0.17 H new ATOM 0 HD11 ILE A 15 13.781 -5.349 -10.445 1.00 0.19 H new ATOM 0 HD12 ILE A 15 14.020 -5.184 -8.689 1.00 0.19 H new ATOM 0 HD13 ILE A 15 12.373 -5.275 -9.359 1.00 0.19 H new ATOM 213 N ILE A 16 10.880 -2.026 -6.095 1.00 0.13 N ATOM 214 CA ILE A 16 10.412 -1.099 -5.085 1.00 0.11 C ATOM 215 C ILE A 16 11.550 -0.746 -4.146 1.00 0.12 C ATOM 216 O ILE A 16 12.307 -1.618 -3.723 1.00 0.15 O ATOM 217 CB ILE A 16 9.224 -1.704 -4.304 1.00 0.12 C ATOM 218 CG1 ILE A 16 7.960 -0.913 -4.601 1.00 0.12 C ATOM 219 CG2 ILE A 16 9.477 -1.734 -2.799 1.00 0.13 C ATOM 220 CD1 ILE A 16 6.716 -1.550 -4.038 1.00 0.16 C ATOM 0 H ILE A 16 11.305 -2.872 -5.715 1.00 0.13 H new ATOM 0 HA ILE A 16 10.065 -0.188 -5.572 1.00 0.11 H new ATOM 0 HB ILE A 16 9.105 -2.736 -4.634 1.00 0.12 H new ATOM 0 HG12 ILE A 16 8.063 0.092 -4.192 1.00 0.12 H new ATOM 0 HG13 ILE A 16 7.850 -0.808 -5.680 1.00 0.12 H new ATOM 0 HG21 ILE A 16 8.614 -2.168 -2.294 1.00 0.13 H new ATOM 0 HG22 ILE A 16 10.361 -2.337 -2.591 1.00 0.13 H new ATOM 0 HG23 ILE A 16 9.637 -0.719 -2.437 1.00 0.13 H new ATOM 0 HD11 ILE A 16 5.850 -0.936 -4.285 1.00 0.16 H new ATOM 0 HD12 ILE A 16 6.590 -2.544 -4.467 1.00 0.16 H new ATOM 0 HD13 ILE A 16 6.807 -1.631 -2.955 1.00 0.16 H new ATOM 232 N ALA A 17 11.706 0.532 -3.861 1.00 0.10 N ATOM 233 CA ALA A 17 12.737 0.968 -2.941 1.00 0.10 C ATOM 234 C ALA A 17 12.220 2.013 -1.963 1.00 0.08 C ATOM 235 O ALA A 17 11.963 3.153 -2.334 1.00 0.08 O ATOM 236 CB ALA A 17 13.934 1.490 -3.710 1.00 0.12 C ATOM 0 H ALA A 17 11.136 1.282 -4.251 1.00 0.10 H new ATOM 0 HA ALA A 17 13.046 0.105 -2.351 1.00 0.10 H new ATOM 0 HB1 ALA A 17 14.703 1.815 -3.009 1.00 0.12 H new ATOM 0 HB2 ALA A 17 14.332 0.698 -4.344 1.00 0.12 H new ATOM 0 HB3 ALA A 17 13.629 2.333 -4.330 1.00 0.12 H new ATOM 242 N ILE A 18 12.063 1.602 -0.719 1.00 0.08 N ATOM 243 CA ILE A 18 11.740 2.511 0.362 1.00 0.08 C ATOM 244 C ILE A 18 13.025 3.105 0.902 1.00 0.09 C ATOM 245 O ILE A 18 13.821 2.408 1.520 1.00 0.18 O ATOM 246 CB ILE A 18 11.055 1.832 1.552 1.00 0.10 C ATOM 247 CG1 ILE A 18 9.859 0.992 1.103 1.00 0.12 C ATOM 248 CG2 ILE A 18 10.645 2.897 2.566 1.00 0.13 C ATOM 249 CD1 ILE A 18 10.208 -0.447 0.825 1.00 0.12 C ATOM 0 H ILE A 18 12.156 0.628 -0.430 1.00 0.08 H new ATOM 0 HA ILE A 18 11.060 3.251 -0.060 1.00 0.08 H new ATOM 0 HB ILE A 18 11.757 1.144 2.024 1.00 0.10 H new ATOM 0 HG12 ILE A 18 9.089 1.029 1.874 1.00 0.12 H new ATOM 0 HG13 ILE A 18 9.431 1.434 0.203 1.00 0.12 H new ATOM 0 HG21 ILE A 18 10.157 2.421 3.416 1.00 0.13 H new ATOM 0 HG22 ILE A 18 11.530 3.433 2.909 1.00 0.13 H new ATOM 0 HG23 ILE A 18 9.955 3.599 2.098 1.00 0.13 H new ATOM 0 HD11 ILE A 18 9.313 -0.984 0.511 1.00 0.12 H new ATOM 0 HD12 ILE A 18 10.956 -0.494 0.033 1.00 0.12 H new ATOM 0 HD13 ILE A 18 10.608 -0.906 1.729 1.00 0.12 H new ATOM 261 N ASN A 19 13.237 4.368 0.680 1.00 0.13 N ATOM 262 CA ASN A 19 14.429 5.013 1.178 1.00 0.18 C ATOM 263 C ASN A 19 14.071 6.039 2.214 1.00 0.20 C ATOM 264 O ASN A 19 13.210 6.884 1.978 1.00 0.21 O ATOM 265 CB ASN A 19 15.205 5.657 0.021 1.00 0.22 C ATOM 266 CG ASN A 19 16.094 6.802 0.467 1.00 0.43 C ATOM 267 OD1 ASN A 19 15.590 8.021 0.337 1.00 1.12 O flip ATOM 268 ND2 ASN A 19 17.223 6.598 0.907 1.00 0.29 N flip ATOM 0 H ASN A 19 12.605 4.976 0.159 1.00 0.13 H new ATOM 0 HA ASN A 19 15.067 4.263 1.645 1.00 0.18 H new ATOM 0 HB2 ASN A 19 15.817 4.898 -0.466 1.00 0.22 H new ATOM 0 HB3 ASN A 19 14.498 6.022 -0.724 1.00 0.22 H new ATOM 0 HD21 ASN A 19 17.573 5.644 0.991 1.00 0.29 H new ATOM 0 HD22 ASN A 19 17.810 7.383 1.188 1.00 0.29 H new ATOM 275 N GLU A 20 14.692 5.972 3.384 1.00 0.24 N ATOM 276 CA GLU A 20 14.611 7.117 4.235 1.00 0.28 C ATOM 277 C GLU A 20 15.993 7.758 4.272 1.00 0.34 C ATOM 278 O GLU A 20 16.796 7.504 5.167 1.00 0.40 O ATOM 279 CB GLU A 20 14.238 6.677 5.654 1.00 0.33 C ATOM 280 CG GLU A 20 13.106 5.669 5.721 1.00 0.33 C ATOM 281 CD GLU A 20 12.938 5.073 7.105 1.00 0.55 C ATOM 282 OE1 GLU A 20 12.475 5.794 8.017 1.00 0.70 O ATOM 283 OE2 GLU A 20 13.268 3.882 7.290 1.00 0.74 O ATOM 0 H GLU A 20 15.225 5.178 3.739 1.00 0.24 H new ATOM 0 HA GLU A 20 13.859 7.814 3.864 1.00 0.28 H new ATOM 0 HB2 GLU A 20 15.119 6.248 6.132 1.00 0.33 H new ATOM 0 HB3 GLU A 20 13.959 7.558 6.233 1.00 0.33 H new ATOM 0 HG2 GLU A 20 12.176 6.152 5.422 1.00 0.33 H new ATOM 0 HG3 GLU A 20 13.294 4.869 5.005 1.00 0.33 H new ATOM 290 N ASP A 21 16.254 8.571 3.271 1.00 0.35 N ATOM 291 CA ASP A 21 17.230 9.644 3.306 1.00 0.41 C ATOM 292 C ASP A 21 16.481 10.915 2.980 1.00 0.41 C ATOM 293 O ASP A 21 16.951 12.038 3.158 1.00 0.46 O ATOM 294 CB ASP A 21 18.354 9.379 2.298 1.00 0.44 C ATOM 295 CG ASP A 21 19.332 10.531 2.181 1.00 0.51 C ATOM 296 OD1 ASP A 21 20.234 10.642 3.037 1.00 0.59 O ATOM 297 OD2 ASP A 21 19.195 11.339 1.237 1.00 0.53 O ATOM 0 H ASP A 21 15.774 8.501 2.374 1.00 0.35 H new ATOM 0 HA ASP A 21 17.704 9.722 4.284 1.00 0.41 H new ATOM 0 HB2 ASP A 21 18.895 8.480 2.594 1.00 0.44 H new ATOM 0 HB3 ASP A 21 17.917 9.181 1.319 1.00 0.44 H new ATOM 302 N VAL A 22 15.259 10.669 2.533 1.00 0.35 N ATOM 303 CA VAL A 22 14.510 11.576 1.685 1.00 0.33 C ATOM 304 C VAL A 22 13.464 12.365 2.471 1.00 0.31 C ATOM 305 O VAL A 22 13.261 12.135 3.667 1.00 0.30 O ATOM 306 CB VAL A 22 13.810 10.695 0.603 1.00 0.30 C ATOM 307 CG1 VAL A 22 12.804 9.765 1.245 1.00 0.25 C ATOM 308 CG2 VAL A 22 13.137 11.497 -0.496 1.00 0.32 C ATOM 0 H VAL A 22 14.751 9.813 2.756 1.00 0.35 H new ATOM 0 HA VAL A 22 15.182 12.311 1.242 1.00 0.33 H new ATOM 0 HB VAL A 22 14.605 10.119 0.129 1.00 0.30 H new ATOM 0 HG11 VAL A 22 12.326 9.159 0.475 1.00 0.25 H new ATOM 0 HG12 VAL A 22 13.312 9.114 1.956 1.00 0.25 H new ATOM 0 HG13 VAL A 22 12.048 10.351 1.767 1.00 0.25 H new ATOM 0 HG21 VAL A 22 12.673 10.817 -1.210 1.00 0.32 H new ATOM 0 HG22 VAL A 22 12.374 12.142 -0.060 1.00 0.32 H new ATOM 0 HG23 VAL A 22 13.880 12.108 -1.008 1.00 0.32 H new ATOM 318 N SER A 23 12.832 13.312 1.780 1.00 0.32 N ATOM 319 CA SER A 23 11.627 13.973 2.257 1.00 0.28 C ATOM 320 C SER A 23 10.625 12.875 2.578 1.00 0.18 C ATOM 321 O SER A 23 10.813 11.772 2.076 1.00 0.16 O ATOM 322 CB SER A 23 11.116 14.916 1.175 1.00 0.35 C ATOM 323 OG SER A 23 12.174 15.711 0.662 1.00 1.31 O ATOM 0 H SER A 23 13.147 13.642 0.868 1.00 0.32 H new ATOM 0 HA SER A 23 11.806 14.574 3.149 1.00 0.28 H new ATOM 0 HB2 SER A 23 10.663 14.340 0.368 1.00 0.35 H new ATOM 0 HB3 SER A 23 10.337 15.559 1.584 1.00 0.35 H new ATOM 0 HG SER A 23 11.827 16.309 -0.033 1.00 1.31 H new ATOM 329 N PRO A 24 9.514 13.127 3.303 1.00 0.16 N ATOM 330 CA PRO A 24 8.931 12.115 4.202 1.00 0.16 C ATOM 331 C PRO A 24 8.968 10.730 3.586 1.00 0.15 C ATOM 332 O PRO A 24 8.460 10.529 2.480 1.00 0.22 O ATOM 333 CB PRO A 24 7.476 12.582 4.334 1.00 0.21 C ATOM 334 CG PRO A 24 7.310 13.638 3.293 1.00 0.19 C ATOM 335 CD PRO A 24 8.648 14.301 3.218 1.00 0.17 C ATOM 0 HA PRO A 24 9.468 12.036 5.147 1.00 0.16 H new ATOM 0 HB2 PRO A 24 6.781 11.758 4.173 1.00 0.21 H new ATOM 0 HB3 PRO A 24 7.278 12.976 5.331 1.00 0.21 H new ATOM 0 HG2 PRO A 24 7.025 13.208 2.333 1.00 0.19 H new ATOM 0 HG3 PRO A 24 6.530 14.348 3.568 1.00 0.19 H new ATOM 0 HD2 PRO A 24 8.787 14.856 2.290 1.00 0.17 H new ATOM 0 HD3 PRO A 24 8.813 15.002 4.037 1.00 0.17 H new ATOM 343 N ALA A 25 9.533 9.787 4.369 1.00 0.15 N ATOM 344 CA ALA A 25 10.079 8.521 3.856 1.00 0.14 C ATOM 345 C ALA A 25 9.353 8.030 2.638 1.00 0.14 C ATOM 346 O ALA A 25 8.128 7.931 2.611 1.00 0.18 O ATOM 347 CB ALA A 25 10.101 7.449 4.912 1.00 0.20 C ATOM 0 H ALA A 25 9.622 9.887 5.380 1.00 0.15 H new ATOM 0 HA ALA A 25 11.106 8.740 3.564 1.00 0.14 H new ATOM 0 HB1 ALA A 25 10.511 6.531 4.490 1.00 0.20 H new ATOM 0 HB2 ALA A 25 10.721 7.774 5.747 1.00 0.20 H new ATOM 0 HB3 ALA A 25 9.086 7.264 5.264 1.00 0.20 H new ATOM 353 N GLU A 26 10.129 7.680 1.650 1.00 0.14 N ATOM 354 CA GLU A 26 9.630 7.599 0.318 1.00 0.15 C ATOM 355 C GLU A 26 9.998 6.269 -0.343 1.00 0.11 C ATOM 356 O GLU A 26 11.136 5.807 -0.267 1.00 0.13 O ATOM 357 CB GLU A 26 10.149 8.819 -0.457 1.00 0.27 C ATOM 358 CG GLU A 26 9.907 8.758 -1.927 1.00 0.66 C ATOM 359 CD GLU A 26 10.609 9.872 -2.676 1.00 0.71 C ATOM 360 OE1 GLU A 26 10.093 11.010 -2.689 1.00 1.14 O ATOM 361 OE2 GLU A 26 11.686 9.611 -3.261 1.00 1.26 O ATOM 0 H GLU A 26 11.117 7.446 1.750 1.00 0.14 H new ATOM 0 HA GLU A 26 8.540 7.620 0.320 1.00 0.15 H new ATOM 0 HB2 GLU A 26 9.675 9.716 -0.059 1.00 0.27 H new ATOM 0 HB3 GLU A 26 11.220 8.919 -0.280 1.00 0.27 H new ATOM 0 HG2 GLU A 26 10.249 7.796 -2.309 1.00 0.66 H new ATOM 0 HG3 GLU A 26 8.835 8.815 -2.118 1.00 0.66 H new ATOM 368 N LEU A 27 9.007 5.665 -0.981 1.00 0.10 N ATOM 369 CA LEU A 27 9.161 4.424 -1.715 1.00 0.09 C ATOM 370 C LEU A 27 9.234 4.782 -3.174 1.00 0.09 C ATOM 371 O LEU A 27 8.616 5.744 -3.605 1.00 0.13 O ATOM 372 CB LEU A 27 7.944 3.514 -1.450 1.00 0.11 C ATOM 373 CG LEU A 27 7.753 2.283 -2.367 1.00 0.10 C ATOM 374 CD1 LEU A 27 6.769 1.331 -1.733 1.00 0.15 C ATOM 375 CD2 LEU A 27 7.224 2.660 -3.754 1.00 0.11 C ATOM 0 H LEU A 27 8.056 6.033 -1.002 1.00 0.10 H new ATOM 0 HA LEU A 27 10.059 3.889 -1.405 1.00 0.09 H new ATOM 0 HB2 LEU A 27 8.008 3.159 -0.421 1.00 0.11 H new ATOM 0 HB3 LEU A 27 7.045 4.127 -1.520 1.00 0.11 H new ATOM 0 HG LEU A 27 8.733 1.822 -2.487 1.00 0.10 H new ATOM 0 HD11 LEU A 27 6.634 0.463 -2.379 1.00 0.15 H new ATOM 0 HD12 LEU A 27 7.149 1.007 -0.764 1.00 0.15 H new ATOM 0 HD13 LEU A 27 5.812 1.834 -1.597 1.00 0.15 H new ATOM 0 HD21 LEU A 27 7.108 1.759 -4.357 1.00 0.11 H new ATOM 0 HD22 LEU A 27 6.258 3.155 -3.653 1.00 0.11 H new ATOM 0 HD23 LEU A 27 7.928 3.334 -4.241 1.00 0.11 H new ATOM 387 N THR A 28 9.976 4.033 -3.937 1.00 0.08 N ATOM 388 CA THR A 28 10.071 4.305 -5.344 1.00 0.09 C ATOM 389 C THR A 28 10.031 3.018 -6.143 1.00 0.08 C ATOM 390 O THR A 28 10.955 2.207 -6.085 1.00 0.10 O ATOM 391 CB THR A 28 11.338 5.110 -5.655 1.00 0.14 C ATOM 392 OG1 THR A 28 11.378 6.272 -4.817 1.00 0.21 O ATOM 393 CG2 THR A 28 11.356 5.535 -7.106 1.00 0.14 C ATOM 0 H THR A 28 10.521 3.234 -3.613 1.00 0.08 H new ATOM 0 HA THR A 28 9.211 4.907 -5.637 1.00 0.09 H new ATOM 0 HB THR A 28 12.209 4.483 -5.465 1.00 0.14 H new ATOM 0 HG1 THR A 28 12.188 6.788 -5.012 1.00 0.21 H new ATOM 0 HG21 THR A 28 12.263 6.105 -7.307 1.00 0.14 H new ATOM 0 HG22 THR A 28 11.334 4.652 -7.744 1.00 0.14 H new ATOM 0 HG23 THR A 28 10.484 6.155 -7.314 1.00 0.14 H new ATOM 401 N TRP A 29 8.930 2.816 -6.849 1.00 0.08 N ATOM 402 CA TRP A 29 8.786 1.650 -7.697 1.00 0.08 C ATOM 403 C TRP A 29 9.380 1.947 -9.058 1.00 0.08 C ATOM 404 O TRP A 29 8.857 2.743 -9.821 1.00 0.12 O ATOM 405 CB TRP A 29 7.320 1.222 -7.841 1.00 0.11 C ATOM 406 CG TRP A 29 7.143 -0.015 -8.683 1.00 0.11 C ATOM 407 CD1 TRP A 29 7.177 -1.315 -8.259 1.00 0.13 C ATOM 408 CD2 TRP A 29 6.910 -0.065 -10.096 1.00 0.14 C ATOM 409 NE1 TRP A 29 6.987 -2.164 -9.323 1.00 0.14 N ATOM 410 CE2 TRP A 29 6.819 -1.421 -10.457 1.00 0.14 C ATOM 411 CE3 TRP A 29 6.771 0.904 -11.090 1.00 0.19 C ATOM 412 CZ2 TRP A 29 6.596 -1.828 -11.766 1.00 0.19 C ATOM 413 CZ3 TRP A 29 6.549 0.496 -12.388 1.00 0.24 C ATOM 414 CH2 TRP A 29 6.464 -0.858 -12.716 1.00 0.24 C ATOM 0 H TRP A 29 8.126 3.444 -6.850 1.00 0.08 H new ATOM 0 HA TRP A 29 9.319 0.822 -7.230 1.00 0.08 H new ATOM 0 HB2 TRP A 29 6.902 1.043 -6.851 1.00 0.11 H new ATOM 0 HB3 TRP A 29 6.751 2.040 -8.284 1.00 0.11 H new ATOM 0 HD1 TRP A 29 7.331 -1.629 -7.237 1.00 0.13 H new ATOM 0 HE1 TRP A 29 6.974 -3.183 -9.274 1.00 0.14 H new ATOM 0 HE3 TRP A 29 6.836 1.954 -10.847 1.00 0.19 H new ATOM 0 HZ2 TRP A 29 6.529 -2.875 -12.023 1.00 0.19 H new ATOM 0 HZ3 TRP A 29 6.439 1.238 -13.165 1.00 0.24 H new ATOM 0 HH2 TRP A 29 6.290 -1.144 -13.743 1.00 0.24 H new ATOM 425 N ARG A 30 10.486 1.315 -9.334 1.00 0.10 N ATOM 426 CA ARG A 30 11.168 1.473 -10.593 1.00 0.12 C ATOM 427 C ARG A 30 11.072 0.176 -11.374 1.00 0.13 C ATOM 428 O ARG A 30 11.559 -0.848 -10.915 1.00 0.15 O ATOM 429 CB ARG A 30 12.626 1.849 -10.333 1.00 0.15 C ATOM 430 CG ARG A 30 13.502 1.765 -11.564 1.00 0.21 C ATOM 431 CD ARG A 30 14.336 0.494 -11.539 1.00 0.32 C ATOM 432 NE ARG A 30 15.059 0.257 -12.788 1.00 0.33 N ATOM 433 CZ ARG A 30 16.338 0.583 -12.980 1.00 0.47 C ATOM 434 NH1 ARG A 30 17.001 1.253 -12.046 1.00 0.87 N ATOM 435 NH2 ARG A 30 16.953 0.249 -14.108 1.00 0.51 N ATOM 0 H ARG A 30 10.945 0.671 -8.689 1.00 0.10 H new ATOM 0 HA ARG A 30 10.706 2.268 -11.179 1.00 0.12 H new ATOM 0 HB2 ARG A 30 12.666 2.864 -9.938 1.00 0.15 H new ATOM 0 HB3 ARG A 30 13.031 1.191 -9.564 1.00 0.15 H new ATOM 0 HG2 ARG A 30 12.882 1.783 -12.460 1.00 0.21 H new ATOM 0 HG3 ARG A 30 14.156 2.635 -11.612 1.00 0.21 H new ATOM 0 HD2 ARG A 30 15.051 0.552 -10.718 1.00 0.32 H new ATOM 0 HD3 ARG A 30 13.685 -0.356 -11.336 1.00 0.32 H new ATOM 0 HE ARG A 30 14.555 -0.184 -13.558 1.00 0.33 H new ATOM 0 HH11 ARG A 30 16.533 1.519 -11.180 1.00 0.87 H new ATOM 0 HH12 ARG A 30 17.979 1.502 -12.194 1.00 0.87 H new ATOM 0 HH21 ARG A 30 16.447 -0.260 -14.833 1.00 0.51 H new ATOM 0 HH22 ARG A 30 17.931 0.501 -14.249 1.00 0.51 H new ATOM 449 N SER A 31 10.444 0.211 -12.541 1.00 0.16 N ATOM 450 CA SER A 31 10.264 -0.989 -13.332 1.00 0.18 C ATOM 451 C SER A 31 11.611 -1.620 -13.632 1.00 0.20 C ATOM 452 O SER A 31 12.593 -0.900 -13.815 1.00 0.24 O ATOM 453 CB SER A 31 9.496 -0.688 -14.627 1.00 0.28 C ATOM 454 OG SER A 31 10.248 0.117 -15.524 1.00 0.75 O ATOM 0 H SER A 31 10.053 1.057 -12.956 1.00 0.16 H new ATOM 0 HA SER A 31 9.668 -1.697 -12.756 1.00 0.18 H new ATOM 0 HB2 SER A 31 9.232 -1.625 -15.117 1.00 0.28 H new ATOM 0 HB3 SER A 31 8.562 -0.182 -14.384 1.00 0.28 H new ATOM 0 HG SER A 31 10.926 0.618 -15.024 1.00 0.75 H new ATOM 460 N THR A 32 11.667 -2.940 -13.628 1.00 0.20 N ATOM 461 CA THR A 32 12.924 -3.663 -13.810 1.00 0.26 C ATOM 462 C THR A 32 13.720 -3.089 -14.989 1.00 0.30 C ATOM 463 O THR A 32 14.938 -2.904 -14.910 1.00 0.38 O ATOM 464 CB THR A 32 12.657 -5.160 -14.047 1.00 0.31 C ATOM 465 OG1 THR A 32 11.845 -5.673 -12.980 1.00 0.31 O ATOM 466 CG2 THR A 32 13.959 -5.949 -14.120 1.00 0.39 C ATOM 0 H THR A 32 10.853 -3.541 -13.500 1.00 0.20 H new ATOM 0 HA THR A 32 13.511 -3.545 -12.899 1.00 0.26 H new ATOM 0 HB THR A 32 12.139 -5.270 -15.000 1.00 0.31 H new ATOM 0 HG1 THR A 32 11.672 -6.626 -13.130 1.00 0.31 H new ATOM 0 HG21 THR A 32 13.737 -7.003 -14.288 1.00 0.39 H new ATOM 0 HG22 THR A 32 14.568 -5.571 -14.941 1.00 0.39 H new ATOM 0 HG23 THR A 32 14.505 -5.838 -13.183 1.00 0.39 H new ATOM 474 N ASP A 33 12.994 -2.746 -16.050 1.00 0.32 N ATOM 475 CA ASP A 33 13.596 -2.229 -17.277 1.00 0.39 C ATOM 476 C ASP A 33 14.115 -0.802 -17.093 1.00 0.37 C ATOM 477 O ASP A 33 15.066 -0.386 -17.754 1.00 0.44 O ATOM 478 CB ASP A 33 12.574 -2.267 -18.413 1.00 0.52 C ATOM 479 CG ASP A 33 13.159 -1.841 -19.742 1.00 1.60 C ATOM 480 OD1 ASP A 33 13.753 -2.695 -20.431 1.00 2.07 O ATOM 481 OD2 ASP A 33 13.013 -0.660 -20.112 1.00 2.33 O ATOM 0 H ASP A 33 11.977 -2.818 -16.084 1.00 0.32 H new ATOM 0 HA ASP A 33 14.446 -2.865 -17.526 1.00 0.39 H new ATOM 0 HB2 ASP A 33 12.176 -3.278 -18.504 1.00 0.52 H new ATOM 0 HB3 ASP A 33 11.736 -1.615 -18.164 1.00 0.52 H new ATOM 486 N GLY A 34 13.498 -0.064 -16.176 1.00 0.36 N ATOM 487 CA GLY A 34 13.915 1.302 -15.911 1.00 0.37 C ATOM 488 C GLY A 34 13.132 2.313 -16.720 1.00 0.42 C ATOM 489 O GLY A 34 13.577 3.444 -16.915 1.00 0.55 O ATOM 0 H GLY A 34 12.714 -0.388 -15.610 1.00 0.36 H new ATOM 0 HA2 GLY A 34 13.792 1.517 -14.849 1.00 0.37 H new ATOM 0 HA3 GLY A 34 14.977 1.405 -16.136 1.00 0.37 H new ATOM 493 N ASP A 35 11.951 1.920 -17.173 1.00 0.45 N ATOM 494 CA ASP A 35 11.171 2.748 -18.080 1.00 0.55 C ATOM 495 C ASP A 35 10.057 3.459 -17.336 1.00 0.46 C ATOM 496 O ASP A 35 9.666 4.571 -17.687 1.00 0.74 O ATOM 497 CB ASP A 35 10.588 1.899 -19.205 1.00 0.73 C ATOM 498 CG ASP A 35 9.658 2.682 -20.107 1.00 0.89 C ATOM 499 OD1 ASP A 35 10.137 3.588 -20.821 1.00 1.13 O ATOM 500 OD2 ASP A 35 8.442 2.402 -20.104 1.00 0.92 O ATOM 0 H ASP A 35 11.512 1.033 -16.927 1.00 0.45 H new ATOM 0 HA ASP A 35 11.834 3.498 -18.510 1.00 0.55 H new ATOM 0 HB2 ASP A 35 11.401 1.485 -19.801 1.00 0.73 H new ATOM 0 HB3 ASP A 35 10.046 1.056 -18.775 1.00 0.73 H new ATOM 505 N LYS A 36 9.567 2.818 -16.293 1.00 0.34 N ATOM 506 CA LYS A 36 8.455 3.342 -15.528 1.00 0.34 C ATOM 507 C LYS A 36 8.823 3.417 -14.050 1.00 0.27 C ATOM 508 O LYS A 36 9.330 2.451 -13.484 1.00 0.34 O ATOM 509 CB LYS A 36 7.230 2.451 -15.739 1.00 0.55 C ATOM 510 CG LYS A 36 6.015 2.890 -14.958 1.00 0.92 C ATOM 511 CD LYS A 36 4.850 1.951 -15.158 1.00 0.90 C ATOM 512 CE LYS A 36 4.013 2.367 -16.354 1.00 1.25 C ATOM 513 NZ LYS A 36 4.665 2.050 -17.653 1.00 2.03 N ATOM 0 H LYS A 36 9.926 1.925 -15.954 1.00 0.34 H new ATOM 0 HA LYS A 36 8.220 4.350 -15.869 1.00 0.34 H new ATOM 0 HB2 LYS A 36 6.982 2.436 -16.800 1.00 0.55 H new ATOM 0 HB3 LYS A 36 7.483 1.429 -15.456 1.00 0.55 H new ATOM 0 HG2 LYS A 36 6.263 2.940 -13.898 1.00 0.92 H new ATOM 0 HG3 LYS A 36 5.728 3.895 -15.266 1.00 0.92 H new ATOM 0 HD2 LYS A 36 5.218 0.935 -15.303 1.00 0.90 H new ATOM 0 HD3 LYS A 36 4.230 1.940 -14.262 1.00 0.90 H new ATOM 0 HE2 LYS A 36 3.046 1.866 -16.307 1.00 1.25 H new ATOM 0 HE3 LYS A 36 3.820 3.439 -16.302 1.00 1.25 H new ATOM 0 HZ1 LYS A 36 3.936 1.848 -18.367 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 5.237 2.862 -17.962 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 5.278 1.218 -17.540 1.00 2.03 H new ATOM 527 N VAL A 37 8.588 4.569 -13.439 1.00 0.22 N ATOM 528 CA VAL A 37 8.947 4.786 -12.042 1.00 0.21 C ATOM 529 C VAL A 37 7.785 5.439 -11.293 1.00 0.22 C ATOM 530 O VAL A 37 7.302 6.500 -11.683 1.00 0.32 O ATOM 531 CB VAL A 37 10.204 5.680 -11.915 1.00 0.22 C ATOM 532 CG1 VAL A 37 10.544 5.935 -10.457 1.00 0.54 C ATOM 533 CG2 VAL A 37 11.392 5.055 -12.633 1.00 0.55 C ATOM 0 H VAL A 37 8.149 5.372 -13.889 1.00 0.22 H new ATOM 0 HA VAL A 37 9.168 3.813 -11.603 1.00 0.21 H new ATOM 0 HB VAL A 37 9.980 6.636 -12.389 1.00 0.22 H new ATOM 0 HG11 VAL A 37 11.431 6.566 -10.395 1.00 0.54 H new ATOM 0 HG12 VAL A 37 9.707 6.437 -9.971 1.00 0.54 H new ATOM 0 HG13 VAL A 37 10.738 4.986 -9.957 1.00 0.54 H new ATOM 0 HG21 VAL A 37 12.262 5.703 -12.529 1.00 0.55 H new ATOM 0 HG22 VAL A 37 11.610 4.081 -12.195 1.00 0.55 H new ATOM 0 HG23 VAL A 37 11.155 4.933 -13.690 1.00 0.55 H new ATOM 543 N HIS A 38 7.342 4.794 -10.225 1.00 0.17 N ATOM 544 CA HIS A 38 6.217 5.276 -9.445 1.00 0.19 C ATOM 545 C HIS A 38 6.610 5.418 -7.978 1.00 0.17 C ATOM 546 O HIS A 38 6.825 4.427 -7.283 1.00 0.17 O ATOM 547 CB HIS A 38 5.057 4.301 -9.567 1.00 0.25 C ATOM 548 CG HIS A 38 3.718 4.917 -9.289 1.00 0.41 C ATOM 549 ND1 HIS A 38 2.763 5.095 -10.264 1.00 0.52 N ATOM 550 CD2 HIS A 38 3.173 5.395 -8.144 1.00 0.56 C ATOM 551 CE1 HIS A 38 1.694 5.655 -9.735 1.00 0.67 C ATOM 552 NE2 HIS A 38 1.912 5.851 -8.447 1.00 0.69 N ATOM 0 H HIS A 38 7.751 3.927 -9.877 1.00 0.17 H new ATOM 0 HA HIS A 38 5.918 6.252 -9.827 1.00 0.19 H new ATOM 0 HB2 HIS A 38 5.052 3.881 -10.573 1.00 0.25 H new ATOM 0 HB3 HIS A 38 5.216 3.473 -8.876 1.00 0.25 H new ATOM 0 HD2 HIS A 38 3.643 5.414 -7.172 1.00 0.56 H new ATOM 0 HE1 HIS A 38 0.789 5.911 -10.266 1.00 0.67 H new ATOM 0 HE2 HIS A 38 1.255 6.270 -7.788 1.00 0.69 H new ATOM 561 N THR A 39 6.688 6.644 -7.507 1.00 0.18 N ATOM 562 CA THR A 39 7.108 6.912 -6.142 1.00 0.17 C ATOM 563 C THR A 39 5.909 7.000 -5.187 1.00 0.19 C ATOM 564 O THR A 39 4.832 7.458 -5.568 1.00 0.30 O ATOM 565 CB THR A 39 7.898 8.230 -6.092 1.00 0.22 C ATOM 566 OG1 THR A 39 8.984 8.191 -7.030 1.00 0.23 O ATOM 567 CG2 THR A 39 8.440 8.483 -4.702 1.00 0.23 C ATOM 0 H THR A 39 6.465 7.478 -8.051 1.00 0.18 H new ATOM 0 HA THR A 39 7.739 6.084 -5.819 1.00 0.17 H new ATOM 0 HB THR A 39 7.219 9.041 -6.355 1.00 0.22 H new ATOM 0 HG1 THR A 39 9.480 9.035 -6.992 1.00 0.23 H new ATOM 0 HG21 THR A 39 8.995 9.421 -4.693 1.00 0.23 H new ATOM 0 HG22 THR A 39 7.613 8.544 -3.994 1.00 0.23 H new ATOM 0 HG23 THR A 39 9.103 7.667 -4.416 1.00 0.23 H new ATOM 575 N VAL A 40 6.102 6.533 -3.954 1.00 0.13 N ATOM 576 CA VAL A 40 5.098 6.649 -2.902 1.00 0.18 C ATOM 577 C VAL A 40 5.657 7.406 -1.694 1.00 0.11 C ATOM 578 O VAL A 40 6.691 7.024 -1.148 1.00 0.11 O ATOM 579 CB VAL A 40 4.619 5.257 -2.441 1.00 0.30 C ATOM 580 CG1 VAL A 40 3.869 5.349 -1.127 1.00 0.47 C ATOM 581 CG2 VAL A 40 3.744 4.611 -3.490 1.00 0.66 C ATOM 0 H VAL A 40 6.958 6.064 -3.658 1.00 0.13 H new ATOM 0 HA VAL A 40 4.256 7.202 -3.318 1.00 0.18 H new ATOM 0 HB VAL A 40 5.503 4.637 -2.295 1.00 0.30 H new ATOM 0 HG11 VAL A 40 3.542 4.354 -0.824 1.00 0.47 H new ATOM 0 HG12 VAL A 40 4.525 5.764 -0.362 1.00 0.47 H new ATOM 0 HG13 VAL A 40 3.000 5.995 -1.249 1.00 0.47 H new ATOM 0 HG21 VAL A 40 3.420 3.631 -3.140 1.00 0.66 H new ATOM 0 HG22 VAL A 40 2.871 5.238 -3.672 1.00 0.66 H new ATOM 0 HG23 VAL A 40 4.309 4.497 -4.415 1.00 0.66 H new ATOM 591 N VAL A 41 4.982 8.473 -1.285 1.00 0.10 N ATOM 592 CA VAL A 41 5.368 9.199 -0.088 1.00 0.10 C ATOM 593 C VAL A 41 4.616 8.627 1.102 1.00 0.08 C ATOM 594 O VAL A 41 3.407 8.811 1.237 1.00 0.09 O ATOM 595 CB VAL A 41 5.091 10.715 -0.204 1.00 0.13 C ATOM 596 CG1 VAL A 41 5.515 11.446 1.069 1.00 0.14 C ATOM 597 CG2 VAL A 41 5.808 11.291 -1.413 1.00 0.18 C ATOM 0 H VAL A 41 4.166 8.852 -1.766 1.00 0.10 H new ATOM 0 HA VAL A 41 6.443 9.079 0.045 1.00 0.10 H new ATOM 0 HB VAL A 41 4.018 10.857 -0.334 1.00 0.13 H new ATOM 0 HG11 VAL A 41 5.310 12.511 0.962 1.00 0.14 H new ATOM 0 HG12 VAL A 41 4.956 11.052 1.918 1.00 0.14 H new ATOM 0 HG13 VAL A 41 6.582 11.297 1.236 1.00 0.14 H new ATOM 0 HG21 VAL A 41 5.604 12.359 -1.482 1.00 0.18 H new ATOM 0 HG22 VAL A 41 6.881 11.133 -1.309 1.00 0.18 H new ATOM 0 HG23 VAL A 41 5.454 10.795 -2.317 1.00 0.18 H new ATOM 607 N LEU A 42 5.343 7.925 1.945 1.00 0.08 N ATOM 608 CA LEU A 42 4.782 7.272 3.132 1.00 0.09 C ATOM 609 C LEU A 42 3.977 8.230 4.010 1.00 0.10 C ATOM 610 O LEU A 42 3.064 7.807 4.710 1.00 0.12 O ATOM 611 CB LEU A 42 5.887 6.638 3.975 1.00 0.10 C ATOM 612 CG LEU A 42 6.410 5.274 3.508 1.00 0.10 C ATOM 613 CD1 LEU A 42 5.451 4.187 3.944 1.00 0.12 C ATOM 614 CD2 LEU A 42 6.617 5.227 2.000 1.00 0.10 C ATOM 0 H LEU A 42 6.347 7.784 1.835 1.00 0.08 H new ATOM 0 HA LEU A 42 4.104 6.503 2.761 1.00 0.09 H new ATOM 0 HB2 LEU A 42 6.728 7.331 4.012 1.00 0.10 H new ATOM 0 HB3 LEU A 42 5.518 6.530 4.995 1.00 0.10 H new ATOM 0 HG LEU A 42 7.384 5.111 3.970 1.00 0.10 H new ATOM 0 HD11 LEU A 42 5.824 3.218 3.612 1.00 0.12 H new ATOM 0 HD12 LEU A 42 5.367 4.190 5.031 1.00 0.12 H new ATOM 0 HD13 LEU A 42 4.470 4.369 3.504 1.00 0.12 H new ATOM 0 HD21 LEU A 42 6.988 4.243 1.714 1.00 0.10 H new ATOM 0 HD22 LEU A 42 5.669 5.418 1.497 1.00 0.10 H new ATOM 0 HD23 LEU A 42 7.342 5.987 1.708 1.00 0.10 H new ATOM 626 N SER A 43 4.310 9.514 3.977 1.00 0.12 N ATOM 627 CA SER A 43 3.600 10.487 4.801 1.00 0.15 C ATOM 628 C SER A 43 2.223 10.794 4.214 1.00 0.14 C ATOM 629 O SER A 43 1.292 11.131 4.944 1.00 0.17 O ATOM 630 CB SER A 43 4.413 11.767 4.951 1.00 0.20 C ATOM 631 OG SER A 43 3.749 12.722 5.761 1.00 1.06 O ATOM 0 H SER A 43 5.055 9.903 3.399 1.00 0.12 H new ATOM 0 HA SER A 43 3.462 10.052 5.791 1.00 0.15 H new ATOM 0 HB2 SER A 43 5.383 11.532 5.388 1.00 0.20 H new ATOM 0 HB3 SER A 43 4.602 12.195 3.966 1.00 0.20 H new ATOM 0 HG SER A 43 4.035 12.617 6.692 1.00 1.06 H new ATOM 637 N THR A 44 2.097 10.687 2.895 1.00 0.13 N ATOM 638 CA THR A 44 0.800 10.855 2.245 1.00 0.14 C ATOM 639 C THR A 44 0.010 9.551 2.315 1.00 0.13 C ATOM 640 O THR A 44 -1.143 9.476 1.895 1.00 0.18 O ATOM 641 CB THR A 44 0.939 11.308 0.774 1.00 0.16 C ATOM 642 OG1 THR A 44 1.698 10.358 0.016 1.00 0.17 O ATOM 643 CG2 THR A 44 1.612 12.667 0.692 1.00 0.20 C ATOM 0 H THR A 44 2.869 10.487 2.259 1.00 0.13 H new ATOM 0 HA THR A 44 0.266 11.640 2.780 1.00 0.14 H new ATOM 0 HB THR A 44 -0.065 11.378 0.355 1.00 0.16 H new ATOM 0 HG1 THR A 44 2.039 9.660 0.614 1.00 0.17 H new ATOM 0 HG21 THR A 44 1.700 12.967 -0.352 1.00 0.20 H new ATOM 0 HG22 THR A 44 1.015 13.402 1.232 1.00 0.20 H new ATOM 0 HG23 THR A 44 2.605 12.609 1.138 1.00 0.20 H new ATOM 651 N ILE A 45 0.662 8.526 2.842 1.00 0.11 N ATOM 652 CA ILE A 45 0.047 7.239 3.083 1.00 0.12 C ATOM 653 C ILE A 45 -0.590 7.173 4.482 1.00 0.16 C ATOM 654 O ILE A 45 0.057 7.460 5.488 1.00 0.23 O ATOM 655 CB ILE A 45 1.098 6.124 2.941 1.00 0.12 C ATOM 656 CG1 ILE A 45 1.743 6.147 1.546 1.00 0.10 C ATOM 657 CG2 ILE A 45 0.471 4.777 3.210 1.00 0.16 C ATOM 658 CD1 ILE A 45 0.779 5.861 0.403 1.00 0.10 C ATOM 0 H ILE A 45 1.644 8.570 3.116 1.00 0.11 H new ATOM 0 HA ILE A 45 -0.742 7.100 2.344 1.00 0.12 H new ATOM 0 HB ILE A 45 1.882 6.300 3.677 1.00 0.12 H new ATOM 0 HG12 ILE A 45 2.198 7.124 1.385 1.00 0.10 H new ATOM 0 HG13 ILE A 45 2.548 5.412 1.519 1.00 0.10 H new ATOM 0 HG21 ILE A 45 1.225 3.997 3.106 1.00 0.16 H new ATOM 0 HG22 ILE A 45 0.068 4.759 4.222 1.00 0.16 H new ATOM 0 HG23 ILE A 45 -0.333 4.601 2.496 1.00 0.16 H new ATOM 0 HD11 ILE A 45 1.317 5.897 -0.544 1.00 0.10 H new ATOM 0 HD12 ILE A 45 0.342 4.871 0.535 1.00 0.10 H new ATOM 0 HD13 ILE A 45 -0.013 6.610 0.399 1.00 0.10 H new ATOM 670 N ASP A 46 -1.873 6.817 4.517 1.00 0.16 N ATOM 671 CA ASP A 46 -2.619 6.627 5.763 1.00 0.22 C ATOM 672 C ASP A 46 -2.272 5.289 6.407 1.00 0.22 C ATOM 673 O ASP A 46 -2.101 5.193 7.625 1.00 0.28 O ATOM 674 CB ASP A 46 -4.129 6.672 5.483 1.00 0.28 C ATOM 675 CG ASP A 46 -4.979 6.358 6.706 1.00 0.46 C ATOM 676 OD1 ASP A 46 -5.175 7.258 7.552 1.00 0.70 O ATOM 677 OD2 ASP A 46 -5.425 5.198 6.848 1.00 0.61 O ATOM 0 H ASP A 46 -2.429 6.651 3.678 1.00 0.16 H new ATOM 0 HA ASP A 46 -2.344 7.431 6.446 1.00 0.22 H new ATOM 0 HB2 ASP A 46 -4.393 7.662 5.111 1.00 0.28 H new ATOM 0 HB3 ASP A 46 -4.366 5.960 4.692 1.00 0.28 H new ATOM 682 N LYS A 47 -2.168 4.257 5.578 1.00 0.21 N ATOM 683 CA LYS A 47 -1.938 2.905 6.066 1.00 0.27 C ATOM 684 C LYS A 47 -1.223 2.075 5.012 1.00 0.18 C ATOM 685 O LYS A 47 -1.224 2.419 3.842 1.00 0.20 O ATOM 686 CB LYS A 47 -3.278 2.240 6.406 1.00 0.41 C ATOM 687 CG LYS A 47 -3.156 1.039 7.327 1.00 1.07 C ATOM 688 CD LYS A 47 -2.458 1.405 8.625 1.00 1.01 C ATOM 689 CE LYS A 47 -2.495 0.259 9.612 1.00 1.60 C ATOM 690 NZ LYS A 47 -3.861 0.032 10.155 1.00 1.95 N ATOM 0 H LYS A 47 -2.240 4.332 4.563 1.00 0.21 H new ATOM 0 HA LYS A 47 -1.317 2.961 6.960 1.00 0.27 H new ATOM 0 HB2 LYS A 47 -3.930 2.978 6.873 1.00 0.41 H new ATOM 0 HB3 LYS A 47 -3.762 1.927 5.481 1.00 0.41 H new ATOM 0 HG2 LYS A 47 -4.148 0.643 7.545 1.00 1.07 H new ATOM 0 HG3 LYS A 47 -2.600 0.248 6.824 1.00 1.07 H new ATOM 0 HD2 LYS A 47 -1.423 1.677 8.419 1.00 1.01 H new ATOM 0 HD3 LYS A 47 -2.937 2.281 9.063 1.00 1.01 H new ATOM 0 HE2 LYS A 47 -2.144 -0.650 9.124 1.00 1.60 H new ATOM 0 HE3 LYS A 47 -1.809 0.466 10.433 1.00 1.60 H new ATOM 0 HZ1 LYS A 47 -3.850 -0.793 10.788 1.00 1.95 H new ATOM 0 HZ2 LYS A 47 -4.167 0.872 10.687 1.00 1.95 H new ATOM 0 HZ3 LYS A 47 -4.522 -0.141 9.371 1.00 1.95 H new ATOM 704 N LEU A 48 -0.608 0.987 5.426 1.00 0.14 N ATOM 705 CA LEU A 48 -0.060 0.033 4.491 1.00 0.10 C ATOM 706 C LEU A 48 -0.698 -1.329 4.720 1.00 0.11 C ATOM 707 O LEU A 48 -1.079 -1.676 5.840 1.00 0.14 O ATOM 708 CB LEU A 48 1.453 -0.067 4.637 1.00 0.10 C ATOM 709 CG LEU A 48 2.064 -1.328 4.047 1.00 0.11 C ATOM 710 CD1 LEU A 48 2.042 -1.287 2.540 1.00 0.12 C ATOM 711 CD2 LEU A 48 3.476 -1.494 4.532 1.00 0.13 C ATOM 0 H LEU A 48 -0.476 0.743 6.407 1.00 0.14 H new ATOM 0 HA LEU A 48 -0.280 0.373 3.479 1.00 0.10 H new ATOM 0 HB2 LEU A 48 1.909 0.800 4.159 1.00 0.10 H new ATOM 0 HB3 LEU A 48 1.707 -0.017 5.696 1.00 0.10 H new ATOM 0 HG LEU A 48 1.467 -2.179 4.376 1.00 0.11 H new ATOM 0 HD11 LEU A 48 2.485 -2.201 2.145 1.00 0.12 H new ATOM 0 HD12 LEU A 48 1.012 -1.203 2.193 1.00 0.12 H new ATOM 0 HD13 LEU A 48 2.613 -0.427 2.191 1.00 0.12 H new ATOM 0 HD21 LEU A 48 3.904 -2.400 4.103 1.00 0.13 H new ATOM 0 HD22 LEU A 48 4.070 -0.633 4.226 1.00 0.13 H new ATOM 0 HD23 LEU A 48 3.481 -1.570 5.619 1.00 0.13 H new ATOM 723 N GLN A 49 -0.807 -2.081 3.653 1.00 0.10 N ATOM 724 CA GLN A 49 -1.379 -3.412 3.683 1.00 0.11 C ATOM 725 C GLN A 49 -0.395 -4.399 3.088 1.00 0.10 C ATOM 726 O GLN A 49 0.466 -4.026 2.293 1.00 0.12 O ATOM 727 CB GLN A 49 -2.664 -3.458 2.871 1.00 0.15 C ATOM 728 CG GLN A 49 -3.703 -2.431 3.294 1.00 0.27 C ATOM 729 CD GLN A 49 -4.444 -2.805 4.566 1.00 0.86 C ATOM 730 OE1 GLN A 49 -4.717 -4.088 4.749 1.00 1.49 O flip ATOM 731 NE2 GLN A 49 -4.811 -1.936 5.354 1.00 1.03 N flip ATOM 0 H GLN A 49 -0.499 -1.786 2.726 1.00 0.10 H new ATOM 0 HA GLN A 49 -1.597 -3.671 4.719 1.00 0.11 H new ATOM 0 HB2 GLN A 49 -2.422 -3.303 1.820 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -3.098 -4.454 2.955 1.00 0.15 H new ATOM 0 HG2 GLN A 49 -3.212 -1.468 3.439 1.00 0.27 H new ATOM 0 HG3 GLN A 49 -4.425 -2.303 2.487 1.00 0.27 H new ATOM 0 HE21 GLN A 49 -4.581 -0.958 5.178 1.00 1.03 H new ATOM 0 HE22 GLN A 49 -5.346 -2.193 6.184 1.00 1.03 H new ATOM 740 N ALA A 50 -0.539 -5.646 3.468 1.00 0.11 N ATOM 741 CA ALA A 50 0.307 -6.719 2.974 1.00 0.13 C ATOM 742 C ALA A 50 -0.383 -8.053 3.243 1.00 0.18 C ATOM 743 O ALA A 50 -1.098 -8.185 4.234 1.00 0.25 O ATOM 744 CB ALA A 50 1.676 -6.652 3.645 1.00 0.16 C ATOM 0 H ALA A 50 -1.249 -5.952 4.133 1.00 0.11 H new ATOM 0 HA ALA A 50 0.461 -6.616 1.900 1.00 0.13 H new ATOM 0 HB1 ALA A 50 2.305 -7.459 3.270 1.00 0.16 H new ATOM 0 HB2 ALA A 50 2.144 -5.693 3.421 1.00 0.16 H new ATOM 0 HB3 ALA A 50 1.558 -6.755 4.724 1.00 0.16 H new ATOM 750 N THR A 51 -0.214 -9.016 2.341 1.00 0.17 N ATOM 751 CA THR A 51 -0.857 -10.321 2.477 1.00 0.22 C ATOM 752 C THR A 51 -0.533 -10.964 3.821 1.00 0.33 C ATOM 753 O THR A 51 0.634 -11.115 4.194 1.00 0.37 O ATOM 754 CB THR A 51 -0.436 -11.290 1.359 1.00 0.21 C ATOM 755 OG1 THR A 51 0.983 -11.367 1.277 1.00 0.25 O ATOM 756 CG2 THR A 51 -0.991 -10.873 0.011 1.00 0.20 C ATOM 0 H THR A 51 0.364 -8.917 1.506 1.00 0.17 H new ATOM 0 HA THR A 51 -1.929 -10.138 2.406 1.00 0.22 H new ATOM 0 HB THR A 51 -0.846 -12.268 1.612 1.00 0.21 H new ATOM 0 HG1 THR A 51 1.382 -10.807 1.975 1.00 0.25 H new ATOM 0 HG21 THR A 51 -0.670 -11.584 -0.750 1.00 0.20 H new ATOM 0 HG22 THR A 51 -2.080 -10.856 0.055 1.00 0.20 H new ATOM 0 HG23 THR A 51 -0.623 -9.879 -0.242 1.00 0.20 H new ATOM 764 N PRO A 52 -1.584 -11.322 4.556 1.00 0.41 N ATOM 765 CA PRO A 52 -1.492 -12.021 5.843 1.00 0.54 C ATOM 766 C PRO A 52 -1.031 -13.463 5.679 1.00 0.61 C ATOM 767 O PRO A 52 -1.000 -13.988 4.569 1.00 0.58 O ATOM 768 CB PRO A 52 -2.937 -11.998 6.346 1.00 0.64 C ATOM 769 CG PRO A 52 -3.746 -11.944 5.109 1.00 0.60 C ATOM 770 CD PRO A 52 -2.982 -11.064 4.178 1.00 0.45 C ATOM 0 HA PRO A 52 -0.771 -11.555 6.515 1.00 0.54 H new ATOM 0 HB2 PRO A 52 -3.168 -12.885 6.936 1.00 0.64 H new ATOM 0 HB3 PRO A 52 -3.124 -11.134 6.983 1.00 0.64 H new ATOM 0 HG2 PRO A 52 -3.884 -12.939 4.686 1.00 0.60 H new ATOM 0 HG3 PRO A 52 -4.739 -11.540 5.306 1.00 0.60 H new ATOM 0 HD2 PRO A 52 -3.172 -11.317 3.135 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -3.248 -10.014 4.304 1.00 0.45 H new ATOM 778 N ALA A 53 -0.667 -14.097 6.785 1.00 0.73 N ATOM 779 CA ALA A 53 -0.360 -15.522 6.782 1.00 0.86 C ATOM 780 C ALA A 53 -1.581 -16.324 6.336 1.00 0.91 C ATOM 781 O ALA A 53 -1.476 -17.481 5.934 1.00 1.00 O ATOM 782 CB ALA A 53 0.092 -15.967 8.163 1.00 1.02 C ATOM 0 H ALA A 53 -0.577 -13.648 7.696 1.00 0.73 H new ATOM 0 HA ALA A 53 0.451 -15.704 6.077 1.00 0.86 H new ATOM 0 HB1 ALA A 53 0.318 -17.033 8.146 1.00 1.02 H new ATOM 0 HB2 ALA A 53 0.985 -15.412 8.450 1.00 1.02 H new ATOM 0 HB3 ALA A 53 -0.702 -15.776 8.885 1.00 1.02 H new ATOM 788 N SER A 54 -2.741 -15.682 6.414 1.00 0.89 N ATOM 789 CA SER A 54 -3.995 -16.271 5.976 1.00 0.98 C ATOM 790 C SER A 54 -4.198 -16.099 4.475 1.00 0.88 C ATOM 791 O SER A 54 -5.140 -16.629 3.900 1.00 0.97 O ATOM 792 CB SER A 54 -5.145 -15.614 6.718 1.00 1.07 C ATOM 793 OG SER A 54 -5.033 -15.823 8.113 1.00 1.58 O ATOM 0 H SER A 54 -2.836 -14.736 6.784 1.00 0.89 H new ATOM 0 HA SER A 54 -3.964 -17.338 6.194 1.00 0.98 H new ATOM 0 HB2 SER A 54 -5.156 -14.545 6.506 1.00 1.07 H new ATOM 0 HB3 SER A 54 -6.092 -16.019 6.361 1.00 1.07 H new ATOM 0 HG SER A 54 -5.784 -15.389 8.570 1.00 1.58 H new ATOM 799 N SER A 55 -3.338 -15.320 3.862 1.00 0.71 N ATOM 800 CA SER A 55 -3.355 -15.148 2.420 1.00 0.61 C ATOM 801 C SER A 55 -2.482 -16.203 1.750 1.00 0.63 C ATOM 802 O SER A 55 -1.479 -16.650 2.314 1.00 0.71 O ATOM 803 CB SER A 55 -2.854 -13.753 2.044 1.00 0.55 C ATOM 804 OG SER A 55 -2.890 -13.552 0.641 1.00 0.54 O ATOM 0 H SER A 55 -2.610 -14.789 4.340 1.00 0.71 H new ATOM 0 HA SER A 55 -4.382 -15.263 2.074 1.00 0.61 H new ATOM 0 HB2 SER A 55 -3.468 -12.999 2.537 1.00 0.55 H new ATOM 0 HB3 SER A 55 -1.834 -13.621 2.406 1.00 0.55 H new ATOM 0 HG SER A 55 -3.813 -13.385 0.358 1.00 0.54 H new ATOM 810 N GLU A 56 -2.875 -16.598 0.548 1.00 0.61 N ATOM 811 CA GLU A 56 -2.122 -17.564 -0.239 1.00 0.69 C ATOM 812 C GLU A 56 -1.084 -16.870 -1.104 1.00 0.60 C ATOM 813 O GLU A 56 -0.213 -17.512 -1.691 1.00 0.70 O ATOM 814 CB GLU A 56 -3.066 -18.349 -1.120 1.00 0.80 C ATOM 815 CG GLU A 56 -3.936 -19.305 -0.354 1.00 1.19 C ATOM 816 CD GLU A 56 -3.151 -20.447 0.253 1.00 2.20 C ATOM 817 OE1 GLU A 56 -2.501 -20.249 1.299 1.00 2.66 O ATOM 818 OE2 GLU A 56 -3.183 -21.557 -0.313 1.00 2.89 O ATOM 0 H GLU A 56 -3.722 -16.259 0.092 1.00 0.61 H new ATOM 0 HA GLU A 56 -1.608 -18.238 0.447 1.00 0.69 H new ATOM 0 HB2 GLU A 56 -3.699 -17.654 -1.672 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -2.487 -18.906 -1.856 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -4.454 -18.764 0.438 1.00 1.19 H new ATOM 0 HG3 GLU A 56 -4.700 -19.707 -1.019 1.00 1.19 H new ATOM 825 N LYS A 57 -1.187 -15.554 -1.181 1.00 0.46 N ATOM 826 CA LYS A 57 -0.348 -14.774 -2.078 1.00 0.39 C ATOM 827 C LYS A 57 0.686 -13.984 -1.283 1.00 0.32 C ATOM 828 O LYS A 57 0.781 -14.118 -0.061 1.00 0.39 O ATOM 829 CB LYS A 57 -1.199 -13.797 -2.901 1.00 0.41 C ATOM 830 CG LYS A 57 -2.674 -14.176 -3.037 1.00 0.56 C ATOM 831 CD LYS A 57 -2.889 -15.458 -3.817 1.00 0.89 C ATOM 832 CE LYS A 57 -2.367 -15.359 -5.235 1.00 1.84 C ATOM 833 NZ LYS A 57 -2.746 -16.546 -6.043 1.00 2.59 N ATOM 0 H LYS A 57 -1.845 -15.001 -0.632 1.00 0.46 H new ATOM 0 HA LYS A 57 0.159 -15.466 -2.751 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -1.134 -12.810 -2.444 1.00 0.41 H new ATOM 0 HB3 LYS A 57 -0.768 -13.715 -3.899 1.00 0.41 H new ATOM 0 HG2 LYS A 57 -3.108 -14.285 -2.043 1.00 0.56 H new ATOM 0 HG3 LYS A 57 -3.208 -13.364 -3.530 1.00 0.56 H new ATOM 0 HD2 LYS A 57 -2.391 -16.281 -3.305 1.00 0.89 H new ATOM 0 HD3 LYS A 57 -3.953 -15.694 -3.839 1.00 0.89 H new ATOM 0 HE2 LYS A 57 -2.760 -14.458 -5.706 1.00 1.84 H new ATOM 0 HE3 LYS A 57 -1.281 -15.262 -5.217 1.00 1.84 H new ATOM 0 HZ1 LYS A 57 -2.372 -16.443 -7.008 1.00 2.59 H new ATOM 0 HZ2 LYS A 57 -2.350 -17.403 -5.607 1.00 2.59 H new ATOM 0 HZ3 LYS A 57 -3.782 -16.624 -6.080 1.00 2.59 H new ATOM 847 N MET A 58 1.473 -13.184 -1.992 1.00 0.27 N ATOM 848 CA MET A 58 2.366 -12.223 -1.367 1.00 0.25 C ATOM 849 C MET A 58 2.182 -10.880 -2.056 1.00 0.23 C ATOM 850 O MET A 58 2.610 -10.715 -3.191 1.00 0.29 O ATOM 851 CB MET A 58 3.845 -12.619 -1.515 1.00 0.29 C ATOM 852 CG MET A 58 4.135 -14.042 -2.005 1.00 0.42 C ATOM 853 SD MET A 58 3.526 -14.383 -3.672 1.00 1.78 S ATOM 854 CE MET A 58 3.969 -16.112 -3.843 1.00 1.53 C ATOM 0 H MET A 58 1.509 -13.185 -3.011 1.00 0.27 H new ATOM 0 HA MET A 58 2.121 -12.184 -0.306 1.00 0.25 H new ATOM 0 HB2 MET A 58 4.316 -11.920 -2.206 1.00 0.29 H new ATOM 0 HB3 MET A 58 4.330 -12.488 -0.548 1.00 0.29 H new ATOM 0 HG2 MET A 58 5.211 -14.211 -1.981 1.00 0.42 H new ATOM 0 HG3 MET A 58 3.685 -14.753 -1.312 1.00 0.42 H new ATOM 0 HE1 MET A 58 3.658 -16.472 -4.824 1.00 1.53 H new ATOM 0 HE2 MET A 58 5.049 -16.223 -3.741 1.00 1.53 H new ATOM 0 HE3 MET A 58 3.470 -16.694 -3.068 1.00 1.53 H new ATOM 864 N MET A 59 1.579 -9.914 -1.384 1.00 0.20 N ATOM 865 CA MET A 59 1.290 -8.626 -2.015 1.00 0.21 C ATOM 866 C MET A 59 1.170 -7.502 -0.981 1.00 0.18 C ATOM 867 O MET A 59 0.709 -7.725 0.133 1.00 0.26 O ATOM 868 CB MET A 59 0.002 -8.704 -2.857 1.00 0.27 C ATOM 869 CG MET A 59 0.111 -9.566 -4.108 1.00 0.64 C ATOM 870 SD MET A 59 -1.241 -9.321 -5.284 1.00 1.30 S ATOM 871 CE MET A 59 -2.523 -10.360 -4.584 1.00 0.62 C ATOM 0 H MET A 59 1.281 -9.990 -0.412 1.00 0.20 H new ATOM 0 HA MET A 59 2.130 -8.395 -2.671 1.00 0.21 H new ATOM 0 HB2 MET A 59 -0.801 -9.094 -2.232 1.00 0.27 H new ATOM 0 HB3 MET A 59 -0.285 -7.695 -3.152 1.00 0.27 H new ATOM 0 HG2 MET A 59 1.056 -9.350 -4.606 1.00 0.64 H new ATOM 0 HG3 MET A 59 0.138 -10.615 -3.814 1.00 0.64 H new ATOM 0 HE1 MET A 59 -2.631 -11.261 -5.187 1.00 0.62 H new ATOM 0 HE2 MET A 59 -2.252 -10.636 -3.565 1.00 0.62 H new ATOM 0 HE3 MET A 59 -3.467 -9.815 -4.573 1.00 0.62 H new ATOM 881 N LEU A 60 1.599 -6.304 -1.369 1.00 0.12 N ATOM 882 CA LEU A 60 1.450 -5.099 -0.534 1.00 0.10 C ATOM 883 C LEU A 60 0.411 -4.129 -1.125 1.00 0.10 C ATOM 884 O LEU A 60 0.031 -4.240 -2.290 1.00 0.13 O ATOM 885 CB LEU A 60 2.767 -4.336 -0.437 1.00 0.13 C ATOM 886 CG LEU A 60 3.481 -4.409 0.902 1.00 0.11 C ATOM 887 CD1 LEU A 60 4.314 -5.660 1.007 1.00 0.12 C ATOM 888 CD2 LEU A 60 4.355 -3.199 1.089 1.00 0.14 C ATOM 0 H LEU A 60 2.058 -6.134 -2.264 1.00 0.12 H new ATOM 0 HA LEU A 60 1.129 -5.445 0.448 1.00 0.10 H new ATOM 0 HB2 LEU A 60 3.440 -4.713 -1.207 1.00 0.13 H new ATOM 0 HB3 LEU A 60 2.575 -3.288 -0.667 1.00 0.13 H new ATOM 0 HG LEU A 60 2.724 -4.434 1.686 1.00 0.11 H new ATOM 0 HD11 LEU A 60 4.813 -5.685 1.976 1.00 0.12 H new ATOM 0 HD12 LEU A 60 3.671 -6.535 0.908 1.00 0.12 H new ATOM 0 HD13 LEU A 60 5.061 -5.667 0.214 1.00 0.12 H new ATOM 0 HD21 LEU A 60 4.862 -3.262 2.052 1.00 0.14 H new ATOM 0 HD22 LEU A 60 5.096 -3.159 0.291 1.00 0.14 H new ATOM 0 HD23 LEU A 60 3.741 -2.299 1.060 1.00 0.14 H new ATOM 900 N ARG A 61 -0.024 -3.173 -0.306 1.00 0.10 N ATOM 901 CA ARG A 61 -0.872 -2.061 -0.750 1.00 0.11 C ATOM 902 C ARG A 61 -0.714 -0.854 0.182 1.00 0.11 C ATOM 903 O ARG A 61 -1.111 -0.905 1.338 1.00 0.11 O ATOM 904 CB ARG A 61 -2.351 -2.461 -0.830 1.00 0.16 C ATOM 905 CG ARG A 61 -3.254 -1.332 -1.304 1.00 0.32 C ATOM 906 CD ARG A 61 -4.710 -1.762 -1.361 1.00 0.56 C ATOM 907 NE ARG A 61 -5.213 -2.201 -0.060 1.00 1.35 N ATOM 908 CZ ARG A 61 -6.090 -3.189 0.098 1.00 1.67 C ATOM 909 NH1 ARG A 61 -6.633 -3.769 -0.963 1.00 1.46 N ATOM 910 NH2 ARG A 61 -6.466 -3.559 1.314 1.00 2.72 N ATOM 0 H ARG A 61 0.201 -3.145 0.688 1.00 0.10 H new ATOM 0 HA ARG A 61 -0.541 -1.791 -1.753 1.00 0.11 H new ATOM 0 HB2 ARG A 61 -2.455 -3.309 -1.507 1.00 0.16 H new ATOM 0 HB3 ARG A 61 -2.684 -2.795 0.153 1.00 0.16 H new ATOM 0 HG2 ARG A 61 -3.153 -0.479 -0.633 1.00 0.32 H new ATOM 0 HG3 ARG A 61 -2.934 -1.000 -2.292 1.00 0.32 H new ATOM 0 HD2 ARG A 61 -5.317 -0.932 -1.721 1.00 0.56 H new ATOM 0 HD3 ARG A 61 -4.819 -2.572 -2.082 1.00 0.56 H new ATOM 0 HE ARG A 61 -4.872 -1.723 0.774 1.00 1.35 H new ATOM 0 HH11 ARG A 61 -6.378 -3.458 -1.900 1.00 1.46 H new ATOM 0 HH12 ARG A 61 -7.305 -4.526 -0.842 1.00 1.46 H new ATOM 0 HH21 ARG A 61 -6.083 -3.086 2.132 1.00 2.72 H new ATOM 0 HH22 ARG A 61 -7.139 -4.317 1.431 1.00 2.72 H new ATOM 924 N LEU A 62 -0.156 0.234 -0.330 1.00 0.11 N ATOM 925 CA LEU A 62 0.026 1.453 0.453 1.00 0.11 C ATOM 926 C LEU A 62 -1.154 2.403 0.258 1.00 0.15 C ATOM 927 O LEU A 62 -1.370 2.930 -0.828 1.00 0.19 O ATOM 928 CB LEU A 62 1.356 2.124 0.082 1.00 0.12 C ATOM 929 CG LEU A 62 2.542 1.614 0.905 1.00 0.20 C ATOM 930 CD1 LEU A 62 3.867 1.836 0.201 1.00 0.90 C ATOM 931 CD2 LEU A 62 2.573 2.292 2.253 1.00 0.86 C ATOM 0 H LEU A 62 0.181 0.299 -1.290 1.00 0.11 H new ATOM 0 HA LEU A 62 0.062 1.191 1.510 1.00 0.11 H new ATOM 0 HB2 LEU A 62 1.557 1.955 -0.976 1.00 0.12 H new ATOM 0 HB3 LEU A 62 1.263 3.201 0.221 1.00 0.12 H new ATOM 0 HG LEU A 62 2.404 0.540 1.030 1.00 0.20 H new ATOM 0 HD11 LEU A 62 4.678 1.458 0.824 1.00 0.90 H new ATOM 0 HD12 LEU A 62 3.865 1.308 -0.752 1.00 0.90 H new ATOM 0 HD13 LEU A 62 4.011 2.902 0.025 1.00 0.90 H new ATOM 0 HD21 LEU A 62 3.421 1.920 2.828 1.00 0.86 H new ATOM 0 HD22 LEU A 62 2.671 3.369 2.116 1.00 0.86 H new ATOM 0 HD23 LEU A 62 1.649 2.077 2.790 1.00 0.86 H new ATOM 943 N ILE A 63 -1.897 2.623 1.330 1.00 0.17 N ATOM 944 CA ILE A 63 -3.143 3.390 1.298 1.00 0.23 C ATOM 945 C ILE A 63 -2.860 4.872 1.466 1.00 0.21 C ATOM 946 O ILE A 63 -2.560 5.309 2.565 1.00 0.25 O ATOM 947 CB ILE A 63 -4.080 3.002 2.472 1.00 0.30 C ATOM 948 CG1 ILE A 63 -3.959 1.518 2.832 1.00 0.30 C ATOM 949 CG2 ILE A 63 -5.524 3.361 2.155 1.00 0.40 C ATOM 950 CD1 ILE A 63 -4.354 0.583 1.727 1.00 0.33 C ATOM 0 H ILE A 63 -1.655 2.274 2.257 1.00 0.17 H new ATOM 0 HA ILE A 63 -3.611 3.172 0.338 1.00 0.23 H new ATOM 0 HB ILE A 63 -3.763 3.577 3.342 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -2.929 1.308 3.119 1.00 0.30 H new ATOM 0 HG13 ILE A 63 -4.581 1.315 3.704 1.00 0.30 H new ATOM 0 HG21 ILE A 63 -6.161 3.079 2.993 1.00 0.40 H new ATOM 0 HG22 ILE A 63 -5.603 4.435 1.984 1.00 0.40 H new ATOM 0 HG23 ILE A 63 -5.844 2.827 1.260 1.00 0.40 H new ATOM 0 HD11 ILE A 63 -4.239 -0.447 2.064 1.00 0.33 H new ATOM 0 HD12 ILE A 63 -5.394 0.762 1.453 1.00 0.33 H new ATOM 0 HD13 ILE A 63 -3.716 0.754 0.860 1.00 0.33 H new ATOM 962 N GLY A 64 -2.966 5.649 0.402 1.00 0.27 N ATOM 963 CA GLY A 64 -2.789 7.081 0.539 1.00 0.30 C ATOM 964 C GLY A 64 -4.002 7.725 1.172 1.00 0.35 C ATOM 965 O GLY A 64 -5.116 7.227 1.007 1.00 0.48 O ATOM 0 H GLY A 64 -3.169 5.322 -0.543 1.00 0.27 H new ATOM 0 HA2 GLY A 64 -1.907 7.284 1.147 1.00 0.30 H new ATOM 0 HA3 GLY A 64 -2.609 7.523 -0.441 1.00 0.30 H new ATOM 969 N LYS A 65 -3.799 8.813 1.909 1.00 0.30 N ATOM 970 CA LYS A 65 -4.911 9.522 2.524 1.00 0.33 C ATOM 971 C LYS A 65 -5.872 10.018 1.452 1.00 0.38 C ATOM 972 O LYS A 65 -5.448 10.544 0.420 1.00 0.41 O ATOM 973 CB LYS A 65 -4.441 10.720 3.359 1.00 0.34 C ATOM 974 CG LYS A 65 -3.778 10.367 4.687 1.00 0.36 C ATOM 975 CD LYS A 65 -2.263 10.374 4.589 1.00 0.40 C ATOM 976 CE LYS A 65 -1.607 10.299 5.960 1.00 0.43 C ATOM 977 NZ LYS A 65 -2.028 11.419 6.842 1.00 1.15 N ATOM 0 H LYS A 65 -2.881 9.219 2.093 1.00 0.30 H new ATOM 0 HA LYS A 65 -5.412 8.817 3.187 1.00 0.33 H new ATOM 0 HB2 LYS A 65 -3.738 11.303 2.764 1.00 0.34 H new ATOM 0 HB3 LYS A 65 -5.299 11.362 3.559 1.00 0.34 H new ATOM 0 HG2 LYS A 65 -4.095 11.078 5.450 1.00 0.36 H new ATOM 0 HG3 LYS A 65 -4.115 9.382 5.010 1.00 0.36 H new ATOM 0 HD2 LYS A 65 -1.934 9.530 3.982 1.00 0.40 H new ATOM 0 HD3 LYS A 65 -1.936 11.280 4.079 1.00 0.40 H new ATOM 0 HE2 LYS A 65 -1.862 9.350 6.432 1.00 0.43 H new ATOM 0 HE3 LYS A 65 -0.523 10.316 5.845 1.00 0.43 H new ATOM 0 HZ1 LYS A 65 -1.354 11.514 7.629 1.00 1.15 H new ATOM 0 HZ2 LYS A 65 -2.048 12.303 6.295 1.00 1.15 H new ATOM 0 HZ3 LYS A 65 -2.977 11.225 7.221 1.00 1.15 H new ATOM 991 N VAL A 66 -7.159 9.823 1.686 1.00 0.42 N ATOM 992 CA VAL A 66 -8.182 10.317 0.779 1.00 0.51 C ATOM 993 C VAL A 66 -8.572 11.743 1.137 1.00 0.57 C ATOM 994 O VAL A 66 -8.423 12.176 2.281 1.00 0.61 O ATOM 995 CB VAL A 66 -9.433 9.422 0.810 1.00 0.57 C ATOM 996 CG1 VAL A 66 -10.042 9.384 2.203 1.00 0.58 C ATOM 997 CG2 VAL A 66 -10.461 9.868 -0.218 1.00 0.69 C ATOM 0 H VAL A 66 -7.521 9.325 2.499 1.00 0.42 H new ATOM 0 HA VAL A 66 -7.763 10.299 -0.227 1.00 0.51 H new ATOM 0 HB VAL A 66 -9.120 8.411 0.549 1.00 0.57 H new ATOM 0 HG11 VAL A 66 -10.925 8.744 2.197 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -9.312 8.988 2.909 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -10.327 10.392 2.503 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -11.332 9.214 -0.169 1.00 0.69 H new ATOM 0 HG22 VAL A 66 -10.765 10.893 -0.008 1.00 0.69 H new ATOM 0 HG23 VAL A 66 -10.024 9.816 -1.215 1.00 0.69 H new ATOM 1007 N ASP A 67 -9.071 12.464 0.156 1.00 0.73 N ATOM 1008 CA ASP A 67 -9.480 13.832 0.347 1.00 0.89 C ATOM 1009 C ASP A 67 -10.960 13.915 0.715 1.00 0.98 C ATOM 1010 O ASP A 67 -11.808 14.241 -0.114 1.00 1.33 O ATOM 1011 CB ASP A 67 -9.183 14.633 -0.929 1.00 1.25 C ATOM 1012 CG ASP A 67 -9.559 13.914 -2.224 1.00 1.91 C ATOM 1013 OD1 ASP A 67 -9.014 12.821 -2.487 1.00 2.56 O ATOM 1014 OD2 ASP A 67 -10.430 14.417 -2.968 1.00 2.29 O ATOM 0 H ASP A 67 -9.203 12.116 -0.794 1.00 0.73 H new ATOM 0 HA ASP A 67 -8.916 14.260 1.176 1.00 0.89 H new ATOM 0 HB2 ASP A 67 -9.721 15.580 -0.883 1.00 1.25 H new ATOM 0 HB3 ASP A 67 -8.120 14.872 -0.955 1.00 1.25 H new ATOM 1019 N GLU A 68 -11.259 13.611 1.978 1.00 1.24 N ATOM 1020 CA GLU A 68 -12.593 13.748 2.516 1.00 1.65 C ATOM 1021 C GLU A 68 -12.823 15.150 3.068 1.00 1.54 C ATOM 1022 O GLU A 68 -13.870 15.758 2.838 1.00 1.96 O ATOM 1023 CB GLU A 68 -12.798 12.725 3.621 1.00 2.31 C ATOM 1024 CG GLU A 68 -13.018 11.324 3.133 1.00 2.77 C ATOM 1025 CD GLU A 68 -13.209 10.341 4.268 1.00 3.14 C ATOM 1026 OE1 GLU A 68 -12.208 9.973 4.919 1.00 3.27 O ATOM 1027 OE2 GLU A 68 -14.362 9.934 4.518 1.00 3.79 O ATOM 0 H GLU A 68 -10.575 13.263 2.650 1.00 1.24 H new ATOM 0 HA GLU A 68 -13.308 13.578 1.711 1.00 1.65 H new ATOM 0 HB2 GLU A 68 -11.927 12.736 4.276 1.00 2.31 H new ATOM 0 HB3 GLU A 68 -13.655 13.026 4.224 1.00 2.31 H new ATOM 0 HG2 GLU A 68 -13.894 11.301 2.485 1.00 2.77 H new ATOM 0 HG3 GLU A 68 -12.166 11.015 2.528 1.00 2.77 H new ATOM 1034 N SER A 69 -11.832 15.648 3.804 1.00 1.50 N ATOM 1035 CA SER A 69 -11.921 16.955 4.445 1.00 2.01 C ATOM 1036 C SER A 69 -12.012 18.057 3.401 1.00 2.42 C ATOM 1037 O SER A 69 -12.738 19.038 3.567 1.00 2.92 O ATOM 1038 CB SER A 69 -10.705 17.163 5.344 1.00 2.57 C ATOM 1039 OG SER A 69 -9.514 16.759 4.685 1.00 3.05 O ATOM 0 H SER A 69 -10.952 15.160 3.971 1.00 1.50 H new ATOM 0 HA SER A 69 -12.825 16.995 5.053 1.00 2.01 H new ATOM 0 HB2 SER A 69 -10.631 18.213 5.626 1.00 2.57 H new ATOM 0 HB3 SER A 69 -10.827 16.593 6.265 1.00 2.57 H new ATOM 0 HG SER A 69 -8.747 16.902 5.278 1.00 3.05 H new ATOM 1045 N LYS A 70 -11.284 17.875 2.316 1.00 2.48 N ATOM 1046 CA LYS A 70 -11.356 18.777 1.187 1.00 3.28 C ATOM 1047 C LYS A 70 -12.088 18.083 0.053 1.00 3.00 C ATOM 1048 O LYS A 70 -11.463 17.513 -0.840 1.00 2.93 O ATOM 1049 CB LYS A 70 -9.966 19.253 0.729 1.00 4.20 C ATOM 1050 CG LYS A 70 -8.917 18.156 0.590 1.00 4.31 C ATOM 1051 CD LYS A 70 -8.284 17.830 1.926 1.00 4.26 C ATOM 1052 CE LYS A 70 -7.147 16.830 1.785 1.00 4.89 C ATOM 1053 NZ LYS A 70 -6.062 17.322 0.894 1.00 5.48 N ATOM 0 H LYS A 70 -10.630 17.102 2.194 1.00 2.48 H new ATOM 0 HA LYS A 70 -11.901 19.670 1.493 1.00 3.28 H new ATOM 0 HB2 LYS A 70 -10.071 19.757 -0.232 1.00 4.20 H new ATOM 0 HB3 LYS A 70 -9.601 19.994 1.440 1.00 4.20 H new ATOM 0 HG2 LYS A 70 -9.378 17.260 0.175 1.00 4.31 H new ATOM 0 HG3 LYS A 70 -8.146 18.473 -0.113 1.00 4.31 H new ATOM 0 HD2 LYS A 70 -7.908 18.745 2.383 1.00 4.26 H new ATOM 0 HD3 LYS A 70 -9.041 17.426 2.598 1.00 4.26 H new ATOM 0 HE2 LYS A 70 -6.734 16.614 2.770 1.00 4.89 H new ATOM 0 HE3 LYS A 70 -7.539 15.892 1.391 1.00 4.89 H new ATOM 0 HZ1 LYS A 70 -5.202 16.759 1.051 1.00 5.48 H new ATOM 0 HZ2 LYS A 70 -6.360 17.231 -0.098 1.00 5.48 H new ATOM 0 HZ3 LYS A 70 -5.865 18.321 1.106 1.00 5.48 H new ATOM 1067 N LYS A 71 -13.419 18.102 0.116 1.00 2.96 N ATOM 1068 CA LYS A 71 -14.242 17.377 -0.840 1.00 2.86 C ATOM 1069 C LYS A 71 -13.846 17.701 -2.266 1.00 2.90 C ATOM 1070 O LYS A 71 -13.761 18.867 -2.659 1.00 3.09 O ATOM 1071 CB LYS A 71 -15.727 17.677 -0.659 1.00 3.08 C ATOM 1072 CG LYS A 71 -16.300 17.245 0.672 1.00 3.27 C ATOM 1073 CD LYS A 71 -17.803 17.443 0.685 1.00 3.56 C ATOM 1074 CE LYS A 71 -18.185 18.906 0.771 1.00 3.84 C ATOM 1075 NZ LYS A 71 -19.660 19.090 0.800 1.00 4.42 N ATOM 0 H LYS A 71 -13.947 18.614 0.822 1.00 2.96 H new ATOM 0 HA LYS A 71 -14.072 16.318 -0.647 1.00 2.86 H new ATOM 0 HB2 LYS A 71 -15.884 18.749 -0.776 1.00 3.08 H new ATOM 0 HB3 LYS A 71 -16.283 17.184 -1.456 1.00 3.08 H new ATOM 0 HG2 LYS A 71 -16.062 16.197 0.855 1.00 3.27 H new ATOM 0 HG3 LYS A 71 -15.843 17.821 1.477 1.00 3.27 H new ATOM 0 HD2 LYS A 71 -18.233 17.009 -0.218 1.00 3.56 H new ATOM 0 HD3 LYS A 71 -18.231 16.907 1.532 1.00 3.56 H new ATOM 0 HE2 LYS A 71 -17.746 19.344 1.667 1.00 3.84 H new ATOM 0 HE3 LYS A 71 -17.768 19.441 -0.082 1.00 3.84 H new ATOM 0 HZ1 LYS A 71 -19.886 20.101 0.705 1.00 4.42 H new ATOM 0 HZ2 LYS A 71 -20.091 18.564 0.013 1.00 4.42 H new ATOM 0 HZ3 LYS A 71 -20.037 18.734 1.702 1.00 4.42 H new ATOM 1089 N ARG A 72 -13.597 16.655 -3.028 1.00 2.81 N ATOM 1090 CA ARG A 72 -13.260 16.794 -4.425 1.00 3.01 C ATOM 1091 C ARG A 72 -14.534 17.117 -5.197 1.00 3.30 C ATOM 1092 O ARG A 72 -15.611 17.103 -4.623 1.00 3.34 O ATOM 1093 CB ARG A 72 -12.568 15.520 -4.933 1.00 2.81 C ATOM 1094 CG ARG A 72 -13.451 14.524 -5.648 1.00 2.72 C ATOM 1095 CD ARG A 72 -12.595 13.527 -6.414 1.00 2.78 C ATOM 1096 NE ARG A 72 -11.383 13.176 -5.669 1.00 3.13 N ATOM 1097 CZ ARG A 72 -10.396 12.416 -6.144 1.00 3.60 C ATOM 1098 NH1 ARG A 72 -10.457 11.923 -7.375 1.00 3.79 N ATOM 1099 NH2 ARG A 72 -9.344 12.147 -5.378 1.00 4.27 N ATOM 0 H ARG A 72 -13.623 15.691 -2.696 1.00 2.81 H new ATOM 0 HA ARG A 72 -12.553 17.610 -4.574 1.00 3.01 H new ATOM 0 HB2 ARG A 72 -11.764 15.812 -5.608 1.00 2.81 H new ATOM 0 HB3 ARG A 72 -12.104 15.019 -4.083 1.00 2.81 H new ATOM 0 HG2 ARG A 72 -14.079 13.999 -4.928 1.00 2.72 H new ATOM 0 HG3 ARG A 72 -14.119 15.045 -6.334 1.00 2.72 H new ATOM 0 HD2 ARG A 72 -13.175 12.626 -6.613 1.00 2.78 H new ATOM 0 HD3 ARG A 72 -12.320 13.949 -7.381 1.00 2.78 H new ATOM 0 HE ARG A 72 -11.288 13.539 -4.720 1.00 3.13 H new ATOM 0 HH11 ARG A 72 -11.264 12.125 -7.966 1.00 3.79 H new ATOM 0 HH12 ARG A 72 -9.697 11.342 -7.730 1.00 3.79 H new ATOM 0 HH21 ARG A 72 -9.294 12.522 -4.431 1.00 4.27 H new ATOM 0 HH22 ARG A 72 -8.587 11.566 -5.737 1.00 4.27 H new ATOM 1113 N LYS A 73 -14.419 17.456 -6.462 1.00 3.60 N ATOM 1114 CA LYS A 73 -15.576 17.876 -7.243 1.00 3.94 C ATOM 1115 C LYS A 73 -15.552 17.237 -8.619 1.00 4.08 C ATOM 1116 O LYS A 73 -14.515 16.743 -9.056 1.00 4.10 O ATOM 1117 CB LYS A 73 -15.643 19.399 -7.351 1.00 4.37 C ATOM 1118 CG LYS A 73 -14.392 20.113 -6.880 1.00 4.48 C ATOM 1119 CD LYS A 73 -13.240 19.930 -7.850 1.00 4.57 C ATOM 1120 CE LYS A 73 -11.908 20.206 -7.180 1.00 4.59 C ATOM 1121 NZ LYS A 73 -10.769 19.980 -8.103 1.00 5.09 N ATOM 0 H LYS A 73 -13.539 17.451 -6.978 1.00 3.60 H new ATOM 0 HA LYS A 73 -16.474 17.539 -6.725 1.00 3.94 H new ATOM 0 HB2 LYS A 73 -15.833 19.670 -8.390 1.00 4.37 H new ATOM 0 HB3 LYS A 73 -16.492 19.756 -6.768 1.00 4.37 H new ATOM 0 HG2 LYS A 73 -14.603 21.176 -6.762 1.00 4.48 H new ATOM 0 HG3 LYS A 73 -14.105 19.734 -5.899 1.00 4.48 H new ATOM 0 HD2 LYS A 73 -13.249 18.913 -8.241 1.00 4.57 H new ATOM 0 HD3 LYS A 73 -13.368 20.600 -8.700 1.00 4.57 H new ATOM 0 HE2 LYS A 73 -11.887 21.236 -6.823 1.00 4.59 H new ATOM 0 HE3 LYS A 73 -11.801 19.563 -6.306 1.00 4.59 H new ATOM 0 HZ1 LYS A 73 -9.876 20.179 -7.608 1.00 5.09 H new ATOM 0 HZ2 LYS A 73 -10.774 18.991 -8.424 1.00 5.09 H new ATOM 0 HZ3 LYS A 73 -10.858 20.611 -8.925 1.00 5.09 H new ATOM 1135 N ASP A 74 -16.694 17.233 -9.302 1.00 4.26 N ATOM 1136 CA ASP A 74 -16.785 16.563 -10.589 1.00 4.45 C ATOM 1137 C ASP A 74 -16.467 17.546 -11.711 1.00 4.86 C ATOM 1138 O ASP A 74 -15.973 18.639 -11.437 1.00 4.98 O ATOM 1139 CB ASP A 74 -18.172 15.957 -10.768 1.00 4.49 C ATOM 1140 CG ASP A 74 -18.149 14.725 -11.651 1.00 4.58 C ATOM 1141 OD1 ASP A 74 -18.122 14.879 -12.888 1.00 4.91 O ATOM 1142 OD2 ASP A 74 -18.177 13.601 -11.113 1.00 4.39 O ATOM 0 H ASP A 74 -17.556 17.680 -8.989 1.00 4.26 H new ATOM 0 HA ASP A 74 -16.055 15.754 -10.626 1.00 4.45 H new ATOM 0 HB2 ASP A 74 -18.581 15.695 -9.792 1.00 4.49 H new ATOM 0 HB3 ASP A 74 -18.839 16.702 -11.203 1.00 4.49 H new ATOM 1147 N ASN A 75 -16.774 17.194 -12.951 1.00 5.14 N ATOM 1148 CA ASN A 75 -16.390 18.018 -14.100 1.00 5.57 C ATOM 1149 C ASN A 75 -17.030 19.407 -14.045 1.00 5.81 C ATOM 1150 O ASN A 75 -16.514 20.363 -14.628 1.00 6.14 O ATOM 1151 CB ASN A 75 -16.745 17.317 -15.420 1.00 5.82 C ATOM 1152 CG ASN A 75 -18.232 17.300 -15.725 1.00 6.19 C ATOM 1153 OD1 ASN A 75 -18.693 18.278 -16.487 1.00 6.35 O flip ATOM 1154 ND2 ASN A 75 -18.954 16.403 -15.302 1.00 6.68 N flip ATOM 0 H ASN A 75 -17.287 16.346 -13.192 1.00 5.14 H new ATOM 0 HA ASN A 75 -15.309 18.150 -14.054 1.00 5.57 H new ATOM 0 HB2 ASN A 75 -16.222 17.814 -16.237 1.00 5.82 H new ATOM 0 HB3 ASN A 75 -16.379 16.291 -15.385 1.00 5.82 H new ATOM 0 HD21 ASN A 75 -18.561 15.666 -14.717 1.00 6.68 H new ATOM 0 HD22 ASN A 75 -19.947 16.395 -15.536 1.00 6.68 H new ATOM 1161 N GLU A 76 -18.133 19.533 -13.318 1.00 5.70 N ATOM 1162 CA GLU A 76 -18.834 20.808 -13.229 1.00 6.00 C ATOM 1163 C GLU A 76 -18.477 21.508 -11.938 1.00 5.89 C ATOM 1164 O GLU A 76 -18.986 22.584 -11.626 1.00 6.16 O ATOM 1165 CB GLU A 76 -20.335 20.592 -13.307 1.00 6.08 C ATOM 1166 CG GLU A 76 -20.776 20.054 -14.647 1.00 6.28 C ATOM 1167 CD GLU A 76 -20.639 21.080 -15.749 1.00 6.80 C ATOM 1168 OE1 GLU A 76 -19.535 21.202 -16.314 1.00 7.08 O ATOM 1169 OE2 GLU A 76 -21.630 21.771 -16.063 1.00 7.13 O ATOM 0 H GLU A 76 -18.559 18.775 -12.785 1.00 5.70 H new ATOM 0 HA GLU A 76 -18.527 21.434 -14.067 1.00 6.00 H new ATOM 0 HB2 GLU A 76 -20.640 19.898 -12.523 1.00 6.08 H new ATOM 0 HB3 GLU A 76 -20.845 21.536 -13.113 1.00 6.08 H new ATOM 0 HG2 GLU A 76 -20.182 19.174 -14.896 1.00 6.28 H new ATOM 0 HG3 GLU A 76 -21.815 19.730 -14.582 1.00 6.28 H new ATOM 1176 N GLY A 77 -17.597 20.873 -11.193 1.00 5.53 N ATOM 1177 CA GLY A 77 -17.160 21.423 -9.930 1.00 5.43 C ATOM 1178 C GLY A 77 -18.177 21.192 -8.832 1.00 5.30 C ATOM 1179 O GLY A 77 -18.382 22.050 -7.978 1.00 5.44 O ATOM 0 H GLY A 77 -17.172 19.979 -11.440 1.00 5.53 H new ATOM 0 HA2 GLY A 77 -16.210 20.970 -9.646 1.00 5.43 H new ATOM 0 HA3 GLY A 77 -16.983 22.493 -10.042 1.00 5.43 H new ATOM 1183 N ASN A 78 -18.811 20.024 -8.862 1.00 5.12 N ATOM 1184 CA ASN A 78 -19.844 19.681 -7.898 1.00 5.11 C ATOM 1185 C ASN A 78 -19.232 19.352 -6.543 1.00 4.81 C ATOM 1186 O ASN A 78 -18.857 20.242 -5.782 1.00 5.14 O ATOM 1187 CB ASN A 78 -20.654 18.486 -8.398 1.00 5.08 C ATOM 1188 CG ASN A 78 -21.503 18.793 -9.599 1.00 5.24 C ATOM 1189 OD1 ASN A 78 -21.001 18.419 -10.758 1.00 5.62 O flip ATOM 1190 ND2 ASN A 78 -22.609 19.319 -9.487 1.00 5.20 N flip ATOM 0 H ASN A 78 -18.623 19.295 -9.551 1.00 5.12 H new ATOM 0 HA ASN A 78 -20.502 20.543 -7.784 1.00 5.11 H new ATOM 0 HB2 ASN A 78 -19.971 17.673 -8.645 1.00 5.08 H new ATOM 0 HB3 ASN A 78 -21.295 18.130 -7.592 1.00 5.08 H new ATOM 0 HD21 ASN A 78 -22.954 19.591 -8.566 1.00 5.20 H new ATOM 0 HD22 ASN A 78 -23.182 19.483 -10.315 1.00 5.20 H new ATOM 1197 N GLU A 79 -19.109 18.058 -6.281 1.00 4.33 N ATOM 1198 CA GLU A 79 -18.501 17.539 -5.061 1.00 3.99 C ATOM 1199 C GLU A 79 -18.589 16.015 -5.050 1.00 3.71 C ATOM 1200 O GLU A 79 -19.672 15.438 -5.127 1.00 3.86 O ATOM 1201 CB GLU A 79 -19.137 18.128 -3.792 1.00 4.17 C ATOM 1202 CG GLU A 79 -20.602 17.811 -3.619 1.00 4.39 C ATOM 1203 CD GLU A 79 -21.181 18.440 -2.371 1.00 4.64 C ATOM 1204 OE1 GLU A 79 -20.971 17.888 -1.271 1.00 4.66 O ATOM 1205 OE2 GLU A 79 -21.860 19.483 -2.480 1.00 5.00 O ATOM 0 H GLU A 79 -19.432 17.329 -6.917 1.00 4.33 H new ATOM 0 HA GLU A 79 -17.455 17.844 -5.057 1.00 3.99 H new ATOM 0 HB2 GLU A 79 -18.593 17.757 -2.923 1.00 4.17 H new ATOM 0 HB3 GLU A 79 -19.012 19.211 -3.808 1.00 4.17 H new ATOM 0 HG2 GLU A 79 -21.153 18.164 -4.491 1.00 4.39 H new ATOM 0 HG3 GLU A 79 -20.735 16.730 -3.574 1.00 4.39 H new ATOM 1212 N VAL A 80 -17.438 15.375 -5.011 1.00 3.33 N ATOM 1213 CA VAL A 80 -17.362 13.929 -4.956 1.00 3.02 C ATOM 1214 C VAL A 80 -16.605 13.517 -3.710 1.00 2.68 C ATOM 1215 O VAL A 80 -15.716 14.236 -3.250 1.00 2.62 O ATOM 1216 CB VAL A 80 -16.622 13.327 -6.168 1.00 2.92 C ATOM 1217 CG1 VAL A 80 -16.941 11.846 -6.325 1.00 2.77 C ATOM 1218 CG2 VAL A 80 -16.937 14.088 -7.446 1.00 3.31 C ATOM 0 H VAL A 80 -16.531 15.841 -5.017 1.00 3.33 H new ATOM 0 HA VAL A 80 -18.387 13.558 -4.955 1.00 3.02 H new ATOM 0 HB VAL A 80 -15.553 13.424 -5.980 1.00 2.92 H new ATOM 0 HG11 VAL A 80 -16.406 11.448 -7.187 1.00 2.77 H new ATOM 0 HG12 VAL A 80 -16.633 11.310 -5.427 1.00 2.77 H new ATOM 0 HG13 VAL A 80 -18.013 11.719 -6.473 1.00 2.77 H new ATOM 0 HG21 VAL A 80 -16.399 13.637 -8.280 1.00 3.31 H new ATOM 0 HG22 VAL A 80 -18.009 14.045 -7.640 1.00 3.31 H new ATOM 0 HG23 VAL A 80 -16.629 15.128 -7.336 1.00 3.31 H new ATOM 1228 N VAL A 81 -16.960 12.379 -3.165 1.00 2.52 N ATOM 1229 CA VAL A 81 -16.206 11.811 -2.070 1.00 2.22 C ATOM 1230 C VAL A 81 -15.516 10.531 -2.539 1.00 1.84 C ATOM 1231 O VAL A 81 -16.107 9.449 -2.593 1.00 1.82 O ATOM 1232 CB VAL A 81 -17.079 11.564 -0.812 1.00 2.45 C ATOM 1233 CG1 VAL A 81 -18.296 10.705 -1.128 1.00 2.77 C ATOM 1234 CG2 VAL A 81 -16.248 10.939 0.301 1.00 2.45 C ATOM 0 H VAL A 81 -17.765 11.827 -3.460 1.00 2.52 H new ATOM 0 HA VAL A 81 -15.449 12.534 -1.767 1.00 2.22 H new ATOM 0 HB VAL A 81 -17.446 12.532 -0.470 1.00 2.45 H new ATOM 0 HG11 VAL A 81 -18.881 10.555 -0.221 1.00 2.77 H new ATOM 0 HG12 VAL A 81 -18.910 11.205 -1.877 1.00 2.77 H new ATOM 0 HG13 VAL A 81 -17.969 9.739 -1.513 1.00 2.77 H new ATOM 0 HG21 VAL A 81 -16.877 10.773 1.175 1.00 2.45 H new ATOM 0 HG22 VAL A 81 -15.841 9.987 -0.039 1.00 2.45 H new ATOM 0 HG23 VAL A 81 -15.430 11.609 0.565 1.00 2.45 H new ATOM 1244 N PRO A 82 -14.249 10.669 -2.928 1.00 1.62 N ATOM 1245 CA PRO A 82 -13.464 9.582 -3.513 1.00 1.35 C ATOM 1246 C PRO A 82 -13.026 8.528 -2.504 1.00 1.10 C ATOM 1247 O PRO A 82 -13.101 8.729 -1.291 1.00 1.10 O ATOM 1248 CB PRO A 82 -12.245 10.312 -4.060 1.00 1.48 C ATOM 1249 CG PRO A 82 -12.098 11.495 -3.180 1.00 1.62 C ATOM 1250 CD PRO A 82 -13.477 11.923 -2.852 1.00 1.78 C ATOM 0 HA PRO A 82 -14.043 9.025 -4.250 1.00 1.35 H new ATOM 0 HB2 PRO A 82 -11.357 9.681 -4.029 1.00 1.48 H new ATOM 0 HB3 PRO A 82 -12.391 10.606 -5.099 1.00 1.48 H new ATOM 0 HG2 PRO A 82 -11.540 11.245 -2.277 1.00 1.62 H new ATOM 0 HG3 PRO A 82 -11.550 12.292 -3.683 1.00 1.62 H new ATOM 0 HD2 PRO A 82 -13.534 12.371 -1.860 1.00 1.78 H new ATOM 0 HD3 PRO A 82 -13.846 12.666 -3.559 1.00 1.78 H new ATOM 1258 N LYS A 83 -12.599 7.392 -3.030 1.00 1.01 N ATOM 1259 CA LYS A 83 -11.934 6.371 -2.243 1.00 0.88 C ATOM 1260 C LYS A 83 -10.441 6.658 -2.245 1.00 0.75 C ATOM 1261 O LYS A 83 -9.899 7.097 -3.260 1.00 0.79 O ATOM 1262 CB LYS A 83 -12.264 4.975 -2.814 1.00 0.99 C ATOM 1263 CG LYS A 83 -11.147 3.936 -2.733 1.00 1.56 C ATOM 1264 CD LYS A 83 -10.208 3.986 -3.938 1.00 2.07 C ATOM 1265 CE LYS A 83 -10.915 3.619 -5.235 1.00 2.35 C ATOM 1266 NZ LYS A 83 -9.973 3.576 -6.386 1.00 3.11 N ATOM 0 H LYS A 83 -12.705 7.153 -4.016 1.00 1.01 H new ATOM 0 HA LYS A 83 -12.284 6.384 -1.211 1.00 0.88 H new ATOM 0 HB2 LYS A 83 -13.134 4.585 -2.286 1.00 0.99 H new ATOM 0 HB3 LYS A 83 -12.550 5.091 -3.859 1.00 0.99 H new ATOM 0 HG2 LYS A 83 -10.571 4.098 -1.822 1.00 1.56 H new ATOM 0 HG3 LYS A 83 -11.586 2.941 -2.660 1.00 1.56 H new ATOM 0 HD2 LYS A 83 -9.787 4.987 -4.027 1.00 2.07 H new ATOM 0 HD3 LYS A 83 -9.374 3.303 -3.775 1.00 2.07 H new ATOM 0 HE2 LYS A 83 -11.397 2.648 -5.124 1.00 2.35 H new ATOM 0 HE3 LYS A 83 -11.703 4.345 -5.437 1.00 2.35 H new ATOM 0 HZ1 LYS A 83 -10.493 3.323 -7.251 1.00 3.11 H new ATOM 0 HZ2 LYS A 83 -9.532 4.510 -6.508 1.00 3.11 H new ATOM 0 HZ3 LYS A 83 -9.235 2.866 -6.205 1.00 3.11 H new ATOM 1280 N PRO A 84 -9.770 6.452 -1.100 1.00 0.64 N ATOM 1281 CA PRO A 84 -8.344 6.728 -0.975 1.00 0.54 C ATOM 1282 C PRO A 84 -7.534 6.041 -2.052 1.00 0.52 C ATOM 1283 O PRO A 84 -7.679 4.840 -2.278 1.00 0.57 O ATOM 1284 CB PRO A 84 -7.960 6.163 0.386 1.00 0.48 C ATOM 1285 CG PRO A 84 -9.229 6.028 1.154 1.00 0.56 C ATOM 1286 CD PRO A 84 -10.354 5.935 0.149 1.00 0.67 C ATOM 0 HA PRO A 84 -8.144 7.795 -1.076 1.00 0.54 H new ATOM 0 HB2 PRO A 84 -7.464 5.198 0.281 1.00 0.48 H new ATOM 0 HB3 PRO A 84 -7.263 6.825 0.900 1.00 0.48 H new ATOM 0 HG2 PRO A 84 -9.203 5.140 1.786 1.00 0.56 H new ATOM 0 HG3 PRO A 84 -9.372 6.884 1.813 1.00 0.56 H new ATOM 0 HD2 PRO A 84 -10.698 4.908 0.032 1.00 0.67 H new ATOM 0 HD3 PRO A 84 -11.215 6.526 0.460 1.00 0.67 H new ATOM 1294 N GLN A 85 -6.681 6.800 -2.712 1.00 0.51 N ATOM 1295 CA GLN A 85 -5.846 6.239 -3.752 1.00 0.52 C ATOM 1296 C GLN A 85 -4.729 5.444 -3.107 1.00 0.43 C ATOM 1297 O GLN A 85 -3.861 5.970 -2.405 1.00 0.54 O ATOM 1298 CB GLN A 85 -5.324 7.318 -4.719 1.00 0.62 C ATOM 1299 CG GLN A 85 -4.291 8.257 -4.131 1.00 0.85 C ATOM 1300 CD GLN A 85 -4.828 9.088 -2.987 1.00 0.87 C ATOM 1301 OE1 GLN A 85 -5.363 10.179 -3.182 1.00 1.78 O ATOM 1302 NE2 GLN A 85 -4.688 8.570 -1.782 1.00 0.97 N ATOM 0 H GLN A 85 -6.549 7.798 -2.548 1.00 0.51 H new ATOM 0 HA GLN A 85 -6.442 5.566 -4.369 1.00 0.52 H new ATOM 0 HB2 GLN A 85 -4.892 6.826 -5.590 1.00 0.62 H new ATOM 0 HB3 GLN A 85 -6.170 7.908 -5.073 1.00 0.62 H new ATOM 0 HG2 GLN A 85 -3.438 7.676 -3.781 1.00 0.85 H new ATOM 0 HG3 GLN A 85 -3.925 8.921 -4.914 1.00 0.85 H new ATOM 0 HE21 GLN A 85 -4.238 7.662 -1.666 1.00 0.97 H new ATOM 0 HE22 GLN A 85 -5.030 9.077 -0.966 1.00 0.97 H new ATOM 1311 N ARG A 86 -4.800 4.156 -3.310 1.00 0.31 N ATOM 1312 CA ARG A 86 -3.868 3.240 -2.702 1.00 0.27 C ATOM 1313 C ARG A 86 -2.932 2.691 -3.757 1.00 0.26 C ATOM 1314 O ARG A 86 -3.292 2.578 -4.928 1.00 0.40 O ATOM 1315 CB ARG A 86 -4.611 2.091 -2.019 1.00 0.36 C ATOM 1316 CG ARG A 86 -5.860 2.527 -1.274 1.00 0.72 C ATOM 1317 CD ARG A 86 -6.676 1.333 -0.806 1.00 0.54 C ATOM 1318 NE ARG A 86 -7.810 1.727 0.029 1.00 1.21 N ATOM 1319 CZ ARG A 86 -9.086 1.585 -0.325 1.00 1.48 C ATOM 1320 NH1 ARG A 86 -9.403 1.103 -1.522 1.00 1.48 N ATOM 1321 NH2 ARG A 86 -10.047 1.929 0.521 1.00 2.29 N ATOM 0 H ARG A 86 -5.503 3.711 -3.900 1.00 0.31 H new ATOM 0 HA ARG A 86 -3.292 3.777 -1.948 1.00 0.27 H new ATOM 0 HB2 ARG A 86 -4.887 1.351 -2.771 1.00 0.36 H new ATOM 0 HB3 ARG A 86 -3.935 1.598 -1.320 1.00 0.36 H new ATOM 0 HG2 ARG A 86 -5.578 3.136 -0.415 1.00 0.72 H new ATOM 0 HG3 ARG A 86 -6.471 3.155 -1.923 1.00 0.72 H new ATOM 0 HD2 ARG A 86 -7.041 0.783 -1.673 1.00 0.54 H new ATOM 0 HD3 ARG A 86 -6.033 0.654 -0.245 1.00 0.54 H new ATOM 0 HE ARG A 86 -7.611 2.137 0.941 1.00 1.21 H new ATOM 0 HH11 ARG A 86 -8.667 0.839 -2.177 1.00 1.48 H new ATOM 0 HH12 ARG A 86 -10.383 0.997 -1.786 1.00 1.48 H new ATOM 0 HH21 ARG A 86 -9.808 2.301 1.440 1.00 2.29 H new ATOM 0 HH22 ARG A 86 -11.025 1.821 0.253 1.00 2.29 H new ATOM 1335 N HIS A 87 -1.735 2.358 -3.337 1.00 0.19 N ATOM 1336 CA HIS A 87 -0.728 1.844 -4.236 1.00 0.18 C ATOM 1337 C HIS A 87 -0.518 0.369 -3.946 1.00 0.15 C ATOM 1338 O HIS A 87 0.032 0.010 -2.912 1.00 0.14 O ATOM 1339 CB HIS A 87 0.573 2.623 -4.028 1.00 0.21 C ATOM 1340 CG HIS A 87 0.384 4.112 -4.024 1.00 0.28 C ATOM 1341 ND1 HIS A 87 0.337 4.991 -2.996 1.00 0.41 N flip ATOM 1342 CD2 HIS A 87 0.199 4.856 -5.168 1.00 0.36 C flip ATOM 1343 CE1 HIS A 87 0.129 6.235 -3.532 1.00 0.50 C flip ATOM 1344 NE2 HIS A 87 0.051 6.129 -4.843 1.00 0.47 N flip ATOM 0 H HIS A 87 -1.432 2.435 -2.366 1.00 0.19 H new ATOM 0 HA HIS A 87 -1.046 1.961 -5.272 1.00 0.18 H new ATOM 0 HB2 HIS A 87 1.022 2.319 -3.083 1.00 0.21 H new ATOM 0 HB3 HIS A 87 1.277 2.356 -4.816 1.00 0.21 H new ATOM 0 HD2 HIS A 87 0.178 4.461 -6.173 1.00 0.36 H new ATOM 0 HE1 HIS A 87 0.043 7.154 -2.971 1.00 0.50 H new ATOM 0 HE2 HIS A 87 -0.098 6.898 -5.496 1.00 0.47 H new ATOM 1353 N MET A 88 -0.937 -0.479 -4.861 1.00 0.16 N ATOM 1354 CA MET A 88 -0.893 -1.914 -4.633 1.00 0.15 C ATOM 1355 C MET A 88 0.133 -2.566 -5.532 1.00 0.20 C ATOM 1356 O MET A 88 0.048 -2.460 -6.756 1.00 0.30 O ATOM 1357 CB MET A 88 -2.266 -2.545 -4.880 1.00 0.20 C ATOM 1358 CG MET A 88 -2.262 -4.055 -4.715 1.00 0.23 C ATOM 1359 SD MET A 88 -3.820 -4.837 -5.197 1.00 0.32 S ATOM 1360 CE MET A 88 -4.931 -4.272 -3.907 1.00 0.42 C ATOM 0 H MET A 88 -1.312 -0.204 -5.769 1.00 0.16 H new ATOM 0 HA MET A 88 -0.610 -2.078 -3.593 1.00 0.15 H new ATOM 0 HB2 MET A 88 -2.989 -2.111 -4.189 1.00 0.20 H new ATOM 0 HB3 MET A 88 -2.599 -2.296 -5.888 1.00 0.20 H new ATOM 0 HG2 MET A 88 -1.453 -4.476 -5.312 1.00 0.23 H new ATOM 0 HG3 MET A 88 -2.049 -4.298 -3.674 1.00 0.23 H new ATOM 0 HE1 MET A 88 -5.962 -4.465 -4.204 1.00 0.42 H new ATOM 0 HE2 MET A 88 -4.715 -4.805 -2.981 1.00 0.42 H new ATOM 0 HE3 MET A 88 -4.792 -3.202 -3.750 1.00 0.42 H new ATOM 1370 N PHE A 89 1.112 -3.230 -4.936 1.00 0.18 N ATOM 1371 CA PHE A 89 2.110 -3.919 -5.708 1.00 0.28 C ATOM 1372 C PHE A 89 1.979 -5.414 -5.455 1.00 0.31 C ATOM 1373 O PHE A 89 1.685 -5.835 -4.338 1.00 0.43 O ATOM 1374 CB PHE A 89 3.496 -3.410 -5.312 1.00 0.34 C ATOM 1375 CG PHE A 89 3.457 -2.086 -4.591 1.00 0.57 C ATOM 1376 CD1 PHE A 89 3.457 -0.892 -5.301 1.00 0.81 C ATOM 1377 CD2 PHE A 89 3.430 -2.033 -3.208 1.00 0.93 C ATOM 1378 CE1 PHE A 89 3.428 0.323 -4.643 1.00 1.17 C ATOM 1379 CE2 PHE A 89 3.403 -0.822 -2.545 1.00 1.26 C ATOM 1380 CZ PHE A 89 3.367 0.354 -3.260 1.00 1.33 C ATOM 0 H PHE A 89 1.228 -3.301 -3.925 1.00 0.18 H new ATOM 0 HA PHE A 89 1.970 -3.731 -6.772 1.00 0.28 H new ATOM 0 HB2 PHE A 89 3.980 -4.150 -4.674 1.00 0.34 H new ATOM 0 HB3 PHE A 89 4.110 -3.311 -6.207 1.00 0.34 H new ATOM 0 HD1 PHE A 89 3.480 -0.913 -6.381 1.00 0.81 H new ATOM 0 HD2 PHE A 89 3.430 -2.951 -2.640 1.00 0.93 H new ATOM 0 HE1 PHE A 89 3.453 1.245 -5.205 1.00 1.17 H new ATOM 0 HE2 PHE A 89 3.410 -0.797 -1.465 1.00 1.26 H new ATOM 0 HZ PHE A 89 3.291 1.299 -2.743 1.00 1.33 H new ATOM 1390 N SER A 90 2.152 -6.205 -6.490 1.00 0.26 N ATOM 1391 CA SER A 90 2.110 -7.641 -6.351 1.00 0.26 C ATOM 1392 C SER A 90 3.521 -8.181 -6.192 1.00 0.23 C ATOM 1393 O SER A 90 4.394 -7.917 -7.016 1.00 0.24 O ATOM 1394 CB SER A 90 1.412 -8.278 -7.553 1.00 0.28 C ATOM 1395 OG SER A 90 0.067 -7.831 -7.656 1.00 0.94 O ATOM 0 H SER A 90 2.324 -5.875 -7.440 1.00 0.26 H new ATOM 0 HA SER A 90 1.536 -7.896 -5.460 1.00 0.26 H new ATOM 0 HB2 SER A 90 1.953 -8.029 -8.466 1.00 0.28 H new ATOM 0 HB3 SER A 90 1.432 -9.364 -7.457 1.00 0.28 H new ATOM 0 HG SER A 90 -0.420 -8.067 -6.839 1.00 0.94 H new ATOM 1401 N PHE A 91 3.747 -8.920 -5.123 1.00 0.21 N ATOM 1402 CA PHE A 91 5.075 -9.434 -4.820 1.00 0.21 C ATOM 1403 C PHE A 91 5.125 -10.934 -5.081 1.00 0.23 C ATOM 1404 O PHE A 91 4.094 -11.572 -5.298 1.00 0.28 O ATOM 1405 CB PHE A 91 5.440 -9.111 -3.359 1.00 0.30 C ATOM 1406 CG PHE A 91 5.432 -7.629 -3.066 1.00 0.63 C ATOM 1407 CD1 PHE A 91 4.276 -6.880 -3.162 1.00 0.99 C ATOM 1408 CD2 PHE A 91 6.588 -6.990 -2.671 1.00 0.91 C ATOM 1409 CE1 PHE A 91 4.285 -5.526 -2.870 1.00 1.29 C ATOM 1410 CE2 PHE A 91 6.598 -5.649 -2.383 1.00 1.20 C ATOM 1411 CZ PHE A 91 5.392 -4.897 -2.576 1.00 1.33 C ATOM 0 H PHE A 91 3.029 -9.180 -4.447 1.00 0.21 H new ATOM 0 HA PHE A 91 5.807 -8.953 -5.469 1.00 0.21 H new ATOM 0 HB2 PHE A 91 4.736 -9.612 -2.694 1.00 0.30 H new ATOM 0 HB3 PHE A 91 6.428 -9.515 -3.139 1.00 0.30 H new ATOM 0 HD1 PHE A 91 3.355 -7.355 -3.468 1.00 0.99 H new ATOM 0 HD2 PHE A 91 7.504 -7.556 -2.587 1.00 0.91 H new ATOM 0 HE1 PHE A 91 3.355 -4.977 -2.886 1.00 1.29 H new ATOM 0 HE2 PHE A 91 7.495 -5.170 -2.019 1.00 1.20 H new ATOM 0 HZ PHE A 91 5.399 -3.821 -2.479 1.00 1.33 H new ATOM 1421 N ASN A 92 6.327 -11.490 -5.100 1.00 0.31 N ATOM 1422 CA ASN A 92 6.510 -12.883 -5.477 1.00 0.39 C ATOM 1423 C ASN A 92 7.040 -13.691 -4.309 1.00 0.35 C ATOM 1424 O ASN A 92 7.230 -14.906 -4.412 1.00 0.42 O ATOM 1425 CB ASN A 92 7.481 -12.990 -6.656 1.00 0.51 C ATOM 1426 CG ASN A 92 7.012 -12.260 -7.909 1.00 0.80 C ATOM 1427 OD1 ASN A 92 7.824 -11.702 -8.648 1.00 1.53 O ATOM 1428 ND2 ASN A 92 5.714 -12.270 -8.178 1.00 1.27 N ATOM 0 H ASN A 92 7.188 -10.999 -4.859 1.00 0.31 H new ATOM 0 HA ASN A 92 5.540 -13.284 -5.771 1.00 0.39 H new ATOM 0 HB2 ASN A 92 8.449 -12.589 -6.355 1.00 0.51 H new ATOM 0 HB3 ASN A 92 7.632 -14.043 -6.895 1.00 0.51 H new ATOM 0 HD21 ASN A 92 5.363 -11.807 -9.017 1.00 1.27 H new ATOM 0 HD22 ASN A 92 5.066 -12.741 -7.547 1.00 1.27 H new ATOM 1435 N ASN A 93 7.286 -13.016 -3.198 1.00 0.30 N ATOM 1436 CA ASN A 93 7.814 -13.677 -2.017 1.00 0.32 C ATOM 1437 C ASN A 93 7.244 -13.042 -0.760 1.00 0.28 C ATOM 1438 O ASN A 93 7.271 -11.819 -0.593 1.00 0.23 O ATOM 1439 CB ASN A 93 9.345 -13.583 -2.028 1.00 0.37 C ATOM 1440 CG ASN A 93 10.024 -14.437 -0.965 1.00 0.44 C ATOM 1441 OD1 ASN A 93 9.478 -14.675 0.108 1.00 0.71 O ATOM 1442 ND2 ASN A 93 11.235 -14.891 -1.255 1.00 0.83 N ATOM 0 H ASN A 93 7.129 -12.014 -3.090 1.00 0.30 H new ATOM 0 HA ASN A 93 7.522 -14.727 -2.025 1.00 0.32 H new ATOM 0 HB2 ASN A 93 9.711 -13.884 -3.010 1.00 0.37 H new ATOM 0 HB3 ASN A 93 9.636 -12.542 -1.885 1.00 0.37 H new ATOM 0 HD21 ASN A 93 11.743 -15.458 -0.576 1.00 0.83 H new ATOM 0 HD22 ASN A 93 11.659 -14.674 -2.157 1.00 0.83 H new ATOM 1449 N ARG A 94 6.721 -13.894 0.118 1.00 0.34 N ATOM 1450 CA ARG A 94 6.083 -13.450 1.346 1.00 0.37 C ATOM 1451 C ARG A 94 7.092 -12.781 2.266 1.00 0.30 C ATOM 1452 O ARG A 94 6.744 -11.873 3.005 1.00 0.27 O ATOM 1453 CB ARG A 94 5.414 -14.621 2.068 1.00 0.57 C ATOM 1454 CG ARG A 94 4.767 -14.226 3.377 1.00 0.90 C ATOM 1455 CD ARG A 94 3.409 -13.599 3.149 1.00 0.71 C ATOM 1456 NE ARG A 94 2.942 -12.844 4.316 1.00 0.99 N ATOM 1457 CZ ARG A 94 2.710 -13.369 5.523 1.00 1.35 C ATOM 1458 NH1 ARG A 94 2.825 -14.677 5.730 1.00 2.16 N ATOM 1459 NH2 ARG A 94 2.338 -12.576 6.521 1.00 1.70 N ATOM 0 H ARG A 94 6.729 -14.907 -0.004 1.00 0.34 H new ATOM 0 HA ARG A 94 5.316 -12.723 1.079 1.00 0.37 H new ATOM 0 HB2 ARG A 94 4.659 -15.058 1.415 1.00 0.57 H new ATOM 0 HB3 ARG A 94 6.158 -15.395 2.257 1.00 0.57 H new ATOM 0 HG2 ARG A 94 4.663 -15.105 4.014 1.00 0.90 H new ATOM 0 HG3 ARG A 94 5.411 -13.523 3.906 1.00 0.90 H new ATOM 0 HD2 ARG A 94 3.458 -12.936 2.286 1.00 0.71 H new ATOM 0 HD3 ARG A 94 2.686 -14.379 2.911 1.00 0.71 H new ATOM 0 HE ARG A 94 2.782 -11.844 4.198 1.00 0.99 H new ATOM 0 HH11 ARG A 94 3.093 -15.293 4.963 1.00 2.16 H new ATOM 0 HH12 ARG A 94 2.645 -15.065 6.656 1.00 2.16 H new ATOM 0 HH21 ARG A 94 2.231 -11.574 6.363 1.00 1.70 H new ATOM 0 HH22 ARG A 94 2.159 -12.969 7.445 1.00 1.70 H new ATOM 1473 N THR A 95 8.343 -13.214 2.195 1.00 0.30 N ATOM 1474 CA THR A 95 9.388 -12.649 3.028 1.00 0.27 C ATOM 1475 C THR A 95 9.695 -11.220 2.596 1.00 0.21 C ATOM 1476 O THR A 95 9.783 -10.315 3.415 1.00 0.18 O ATOM 1477 CB THR A 95 10.678 -13.484 2.958 1.00 0.32 C ATOM 1478 OG1 THR A 95 10.477 -14.767 3.567 1.00 0.40 O ATOM 1479 CG2 THR A 95 11.817 -12.755 3.644 1.00 0.32 C ATOM 0 H THR A 95 8.656 -13.955 1.568 1.00 0.30 H new ATOM 0 HA THR A 95 9.024 -12.655 4.055 1.00 0.27 H new ATOM 0 HB THR A 95 10.937 -13.631 1.909 1.00 0.32 H new ATOM 0 HG1 THR A 95 11.305 -15.288 3.514 1.00 0.40 H new ATOM 0 HG21 THR A 95 12.723 -13.359 3.586 1.00 0.32 H new ATOM 0 HG22 THR A 95 11.986 -11.798 3.150 1.00 0.32 H new ATOM 0 HG23 THR A 95 11.562 -12.583 4.690 1.00 0.32 H new ATOM 1487 N VAL A 96 9.861 -11.040 1.300 1.00 0.23 N ATOM 1488 CA VAL A 96 10.109 -9.726 0.728 1.00 0.21 C ATOM 1489 C VAL A 96 8.978 -8.777 1.021 1.00 0.19 C ATOM 1490 O VAL A 96 9.187 -7.694 1.537 1.00 0.19 O ATOM 1491 CB VAL A 96 10.281 -9.811 -0.792 1.00 0.25 C ATOM 1492 CG1 VAL A 96 10.516 -8.427 -1.379 1.00 0.28 C ATOM 1493 CG2 VAL A 96 11.424 -10.745 -1.138 1.00 0.29 C ATOM 0 H VAL A 96 9.828 -11.795 0.615 1.00 0.23 H new ATOM 0 HA VAL A 96 11.026 -9.354 1.186 1.00 0.21 H new ATOM 0 HB VAL A 96 9.366 -10.212 -1.227 1.00 0.25 H new ATOM 0 HG11 VAL A 96 10.636 -8.506 -2.460 1.00 0.28 H new ATOM 0 HG12 VAL A 96 9.663 -7.787 -1.154 1.00 0.28 H new ATOM 0 HG13 VAL A 96 11.418 -7.996 -0.944 1.00 0.28 H new ATOM 0 HG21 VAL A 96 11.536 -10.797 -2.221 1.00 0.29 H new ATOM 0 HG22 VAL A 96 12.347 -10.370 -0.695 1.00 0.29 H new ATOM 0 HG23 VAL A 96 11.212 -11.740 -0.747 1.00 0.29 H new ATOM 1503 N MET A 97 7.779 -9.174 0.696 1.00 0.19 N ATOM 1504 CA MET A 97 6.647 -8.323 0.953 1.00 0.19 C ATOM 1505 C MET A 97 6.496 -8.113 2.457 1.00 0.17 C ATOM 1506 O MET A 97 5.964 -7.110 2.907 1.00 0.19 O ATOM 1507 CB MET A 97 5.403 -8.930 0.326 1.00 0.21 C ATOM 1508 CG MET A 97 4.881 -10.152 1.045 1.00 0.22 C ATOM 1509 SD MET A 97 3.268 -9.893 1.799 1.00 0.29 S ATOM 1510 CE MET A 97 3.719 -9.405 3.454 1.00 0.17 C ATOM 0 H MET A 97 7.560 -10.069 0.258 1.00 0.19 H new ATOM 0 HA MET A 97 6.798 -7.343 0.500 1.00 0.19 H new ATOM 0 HB2 MET A 97 4.618 -8.175 0.299 1.00 0.21 H new ATOM 0 HB3 MET A 97 5.624 -9.197 -0.708 1.00 0.21 H new ATOM 0 HG2 MET A 97 4.817 -10.981 0.340 1.00 0.22 H new ATOM 0 HG3 MET A 97 5.593 -10.444 1.817 1.00 0.22 H new ATOM 0 HE1 MET A 97 2.876 -9.571 4.125 1.00 0.17 H new ATOM 0 HE2 MET A 97 4.571 -9.997 3.788 1.00 0.17 H new ATOM 0 HE3 MET A 97 3.986 -8.348 3.462 1.00 0.17 H new ATOM 1520 N ASP A 98 7.013 -9.056 3.230 1.00 0.16 N ATOM 1521 CA ASP A 98 7.031 -8.929 4.677 1.00 0.16 C ATOM 1522 C ASP A 98 8.013 -7.848 5.078 1.00 0.15 C ATOM 1523 O ASP A 98 7.724 -7.000 5.923 1.00 0.22 O ATOM 1524 CB ASP A 98 7.460 -10.247 5.309 1.00 0.21 C ATOM 1525 CG ASP A 98 7.399 -10.216 6.820 1.00 0.30 C ATOM 1526 OD1 ASP A 98 6.281 -10.226 7.378 1.00 0.38 O ATOM 1527 OD2 ASP A 98 8.467 -10.192 7.463 1.00 0.39 O ATOM 0 H ASP A 98 7.426 -9.919 2.877 1.00 0.16 H new ATOM 0 HA ASP A 98 6.030 -8.669 5.022 1.00 0.16 H new ATOM 0 HB2 ASP A 98 6.819 -11.048 4.940 1.00 0.21 H new ATOM 0 HB3 ASP A 98 8.477 -10.482 4.995 1.00 0.21 H new ATOM 1532 N ASN A 99 9.158 -7.866 4.415 1.00 0.12 N ATOM 1533 CA ASN A 99 10.266 -6.997 4.767 1.00 0.13 C ATOM 1534 C ASN A 99 10.049 -5.608 4.192 1.00 0.15 C ATOM 1535 O ASN A 99 10.434 -4.605 4.789 1.00 0.24 O ATOM 1536 CB ASN A 99 11.609 -7.634 4.339 1.00 0.22 C ATOM 1537 CG ASN A 99 11.851 -7.794 2.859 1.00 0.71 C ATOM 1538 OD1 ASN A 99 11.636 -6.897 2.047 1.00 1.55 O ATOM 1539 ND2 ASN A 99 12.328 -8.978 2.510 1.00 0.50 N ATOM 0 H ASN A 99 9.344 -8.480 3.622 1.00 0.12 H new ATOM 0 HA ASN A 99 10.312 -6.881 5.850 1.00 0.13 H new ATOM 0 HB2 ASN A 99 12.417 -7.029 4.751 1.00 0.22 H new ATOM 0 HB3 ASN A 99 11.680 -8.618 4.802 1.00 0.22 H new ATOM 0 HD21 ASN A 99 12.533 -9.177 1.531 1.00 0.50 H new ATOM 0 HD22 ASN A 99 12.490 -9.692 3.220 1.00 0.50 H new ATOM 1546 N ILE A 100 9.390 -5.563 3.054 1.00 0.12 N ATOM 1547 CA ILE A 100 8.934 -4.314 2.465 1.00 0.12 C ATOM 1548 C ILE A 100 7.852 -3.688 3.332 1.00 0.11 C ATOM 1549 O ILE A 100 7.951 -2.521 3.719 1.00 0.13 O ATOM 1550 CB ILE A 100 8.378 -4.541 1.042 1.00 0.11 C ATOM 1551 CG1 ILE A 100 9.501 -4.935 0.093 1.00 0.13 C ATOM 1552 CG2 ILE A 100 7.679 -3.296 0.528 1.00 0.12 C ATOM 1553 CD1 ILE A 100 10.495 -3.821 -0.134 1.00 0.11 C ATOM 0 H ILE A 100 9.153 -6.391 2.507 1.00 0.12 H new ATOM 0 HA ILE A 100 9.790 -3.642 2.404 1.00 0.12 H new ATOM 0 HB ILE A 100 7.650 -5.351 1.089 1.00 0.11 H new ATOM 0 HG12 ILE A 100 10.022 -5.804 0.495 1.00 0.13 H new ATOM 0 HG13 ILE A 100 9.073 -5.234 -0.864 1.00 0.13 H new ATOM 0 HG21 ILE A 100 7.296 -3.482 -0.476 1.00 0.12 H new ATOM 0 HG22 ILE A 100 6.851 -3.044 1.191 1.00 0.12 H new ATOM 0 HG23 ILE A 100 8.386 -2.467 0.499 1.00 0.12 H new ATOM 0 HD11 ILE A 100 11.272 -4.161 -0.819 1.00 0.11 H new ATOM 0 HD12 ILE A 100 9.984 -2.959 -0.564 1.00 0.11 H new ATOM 0 HD13 ILE A 100 10.947 -3.538 0.816 1.00 0.11 H new ATOM 1565 N LYS A 101 6.826 -4.477 3.645 1.00 0.11 N ATOM 1566 CA LYS A 101 5.734 -4.009 4.485 1.00 0.12 C ATOM 1567 C LYS A 101 6.266 -3.478 5.812 1.00 0.11 C ATOM 1568 O LYS A 101 5.946 -2.363 6.208 1.00 0.14 O ATOM 1569 CB LYS A 101 4.717 -5.128 4.752 1.00 0.18 C ATOM 1570 CG LYS A 101 3.880 -4.903 6.007 1.00 0.89 C ATOM 1571 CD LYS A 101 3.530 -6.208 6.712 1.00 0.75 C ATOM 1572 CE LYS A 101 4.700 -6.780 7.512 1.00 0.42 C ATOM 1573 NZ LYS A 101 5.029 -5.970 8.720 1.00 1.11 N ATOM 0 H LYS A 101 6.731 -5.442 3.328 1.00 0.11 H new ATOM 0 HA LYS A 101 5.232 -3.203 3.949 1.00 0.12 H new ATOM 0 HB2 LYS A 101 4.052 -5.217 3.893 1.00 0.18 H new ATOM 0 HB3 LYS A 101 5.247 -6.076 4.844 1.00 0.18 H new ATOM 0 HG2 LYS A 101 4.426 -4.257 6.694 1.00 0.89 H new ATOM 0 HG3 LYS A 101 2.962 -4.380 5.739 1.00 0.89 H new ATOM 0 HD2 LYS A 101 2.686 -6.039 7.381 1.00 0.75 H new ATOM 0 HD3 LYS A 101 3.209 -6.941 5.972 1.00 0.75 H new ATOM 0 HE2 LYS A 101 4.461 -7.798 7.818 1.00 0.42 H new ATOM 0 HE3 LYS A 101 5.579 -6.838 6.870 1.00 0.42 H new ATOM 0 HZ1 LYS A 101 5.951 -6.268 9.097 1.00 1.11 H new ATOM 0 HZ2 LYS A 101 5.069 -4.963 8.462 1.00 1.11 H new ATOM 0 HZ3 LYS A 101 4.296 -6.113 9.444 1.00 1.11 H new ATOM 1587 N MET A 102 7.092 -4.274 6.486 1.00 0.09 N ATOM 1588 CA MET A 102 7.582 -3.905 7.809 1.00 0.09 C ATOM 1589 C MET A 102 8.426 -2.643 7.745 1.00 0.09 C ATOM 1590 O MET A 102 8.494 -1.888 8.706 1.00 0.12 O ATOM 1591 CB MET A 102 8.368 -5.056 8.446 1.00 0.10 C ATOM 1592 CG MET A 102 9.710 -5.346 7.798 1.00 0.16 C ATOM 1593 SD MET A 102 11.071 -4.399 8.513 1.00 0.88 S ATOM 1594 CE MET A 102 11.129 -5.098 10.160 1.00 1.17 C ATOM 0 H MET A 102 7.433 -5.171 6.141 1.00 0.09 H new ATOM 0 HA MET A 102 6.717 -3.700 8.439 1.00 0.09 H new ATOM 0 HB2 MET A 102 8.531 -4.827 9.499 1.00 0.10 H new ATOM 0 HB3 MET A 102 7.759 -5.959 8.407 1.00 0.10 H new ATOM 0 HG2 MET A 102 9.928 -6.410 7.892 1.00 0.16 H new ATOM 0 HG3 MET A 102 9.645 -5.127 6.732 1.00 0.16 H new ATOM 0 HE1 MET A 102 12.140 -5.008 10.558 1.00 1.17 H new ATOM 0 HE2 MET A 102 10.435 -4.562 10.807 1.00 1.17 H new ATOM 0 HE3 MET A 102 10.848 -6.150 10.119 1.00 1.17 H new ATOM 1604 N THR A 103 9.046 -2.413 6.602 1.00 0.08 N ATOM 1605 CA THR A 103 9.809 -1.206 6.382 1.00 0.08 C ATOM 1606 C THR A 103 8.885 0.001 6.396 1.00 0.08 C ATOM 1607 O THR A 103 9.121 0.979 7.107 1.00 0.09 O ATOM 1608 CB THR A 103 10.543 -1.277 5.033 1.00 0.10 C ATOM 1609 OG1 THR A 103 11.576 -2.266 5.093 1.00 0.15 O ATOM 1610 CG2 THR A 103 11.135 0.058 4.655 1.00 0.11 C ATOM 0 H THR A 103 9.033 -3.054 5.808 1.00 0.08 H new ATOM 0 HA THR A 103 10.544 -1.108 7.181 1.00 0.08 H new ATOM 0 HB THR A 103 9.816 -1.551 4.269 1.00 0.10 H new ATOM 0 HG1 THR A 103 11.248 -3.105 4.708 1.00 0.15 H new ATOM 0 HG21 THR A 103 11.646 -0.029 3.696 1.00 0.11 H new ATOM 0 HG22 THR A 103 10.340 0.799 4.576 1.00 0.11 H new ATOM 0 HG23 THR A 103 11.847 0.370 5.419 1.00 0.11 H new ATOM 1618 N LEU A 104 7.815 -0.101 5.628 1.00 0.08 N ATOM 1619 CA LEU A 104 6.877 0.991 5.469 1.00 0.09 C ATOM 1620 C LEU A 104 6.068 1.207 6.733 1.00 0.11 C ATOM 1621 O LEU A 104 6.068 2.293 7.280 1.00 0.13 O ATOM 1622 CB LEU A 104 5.938 0.700 4.300 1.00 0.09 C ATOM 1623 CG LEU A 104 6.612 0.456 2.944 1.00 0.09 C ATOM 1624 CD1 LEU A 104 5.757 -0.432 2.076 1.00 0.11 C ATOM 1625 CD2 LEU A 104 6.866 1.756 2.225 1.00 0.11 C ATOM 0 H LEU A 104 7.574 -0.940 5.100 1.00 0.08 H new ATOM 0 HA LEU A 104 7.444 1.900 5.267 1.00 0.09 H new ATOM 0 HB2 LEU A 104 5.340 -0.176 4.549 1.00 0.09 H new ATOM 0 HB3 LEU A 104 5.249 1.538 4.196 1.00 0.09 H new ATOM 0 HG LEU A 104 7.565 -0.036 3.136 1.00 0.09 H new ATOM 0 HD11 LEU A 104 6.254 -0.592 1.119 1.00 0.11 H new ATOM 0 HD12 LEU A 104 5.607 -1.391 2.572 1.00 0.11 H new ATOM 0 HD13 LEU A 104 4.791 0.044 1.908 1.00 0.11 H new ATOM 0 HD21 LEU A 104 7.344 1.554 1.267 1.00 0.11 H new ATOM 0 HD22 LEU A 104 5.920 2.270 2.057 1.00 0.11 H new ATOM 0 HD23 LEU A 104 7.518 2.385 2.831 1.00 0.11 H new ATOM 1637 N GLN A 105 5.373 0.166 7.168 1.00 0.12 N ATOM 1638 CA GLN A 105 4.552 0.194 8.392 1.00 0.18 C ATOM 1639 C GLN A 105 5.231 0.909 9.553 1.00 0.18 C ATOM 1640 O GLN A 105 4.567 1.581 10.348 1.00 0.22 O ATOM 1641 CB GLN A 105 4.213 -1.210 8.836 1.00 0.28 C ATOM 1642 CG GLN A 105 3.450 -1.977 7.796 1.00 0.39 C ATOM 1643 CD GLN A 105 1.998 -1.577 7.667 1.00 0.64 C ATOM 1644 OE1 GLN A 105 1.602 -0.455 7.980 1.00 1.45 O ATOM 1645 NE2 GLN A 105 1.205 -2.495 7.143 1.00 0.99 N ATOM 0 H GLN A 105 5.356 -0.733 6.686 1.00 0.12 H new ATOM 0 HA GLN A 105 3.651 0.748 8.131 1.00 0.18 H new ATOM 0 HB2 GLN A 105 5.133 -1.744 9.073 1.00 0.28 H new ATOM 0 HB3 GLN A 105 3.625 -1.165 9.753 1.00 0.28 H new ATOM 0 HG2 GLN A 105 3.939 -1.842 6.831 1.00 0.39 H new ATOM 0 HG3 GLN A 105 3.502 -3.039 8.034 1.00 0.39 H new ATOM 0 HE21 GLN A 105 1.578 -3.412 6.899 1.00 0.99 H new ATOM 0 HE22 GLN A 105 0.220 -2.286 6.983 1.00 0.99 H new ATOM 1654 N GLN A 106 6.549 0.765 9.649 1.00 0.17 N ATOM 1655 CA GLN A 106 7.302 1.399 10.705 1.00 0.20 C ATOM 1656 C GLN A 106 7.236 2.901 10.523 1.00 0.20 C ATOM 1657 O GLN A 106 6.970 3.651 11.453 1.00 0.36 O ATOM 1658 CB GLN A 106 8.743 0.918 10.663 1.00 0.25 C ATOM 1659 CG GLN A 106 8.980 -0.409 11.366 1.00 0.30 C ATOM 1660 CD GLN A 106 10.427 -0.863 11.288 1.00 0.38 C ATOM 1661 OE1 GLN A 106 11.247 -0.517 12.139 1.00 0.65 O ATOM 1662 NE2 GLN A 106 10.745 -1.655 10.279 1.00 0.47 N ATOM 0 H GLN A 106 7.111 0.212 9.002 1.00 0.17 H new ATOM 0 HA GLN A 106 6.879 1.138 11.675 1.00 0.20 H new ATOM 0 HB2 GLN A 106 9.052 0.825 9.622 1.00 0.25 H new ATOM 0 HB3 GLN A 106 9.380 1.676 11.118 1.00 0.25 H new ATOM 0 HG2 GLN A 106 8.688 -0.319 12.412 1.00 0.30 H new ATOM 0 HG3 GLN A 106 8.340 -1.171 10.921 1.00 0.30 H new ATOM 0 HE21 GLN A 106 10.036 -1.919 9.595 1.00 0.47 H new ATOM 0 HE22 GLN A 106 11.699 -2.003 10.185 1.00 0.47 H new ATOM 1671 N ILE A 107 7.428 3.297 9.281 1.00 0.13 N ATOM 1672 CA ILE A 107 7.367 4.680 8.849 1.00 0.13 C ATOM 1673 C ILE A 107 5.958 5.235 8.998 1.00 0.14 C ATOM 1674 O ILE A 107 5.760 6.354 9.454 1.00 0.17 O ATOM 1675 CB ILE A 107 7.753 4.748 7.361 1.00 0.13 C ATOM 1676 CG1 ILE A 107 9.150 4.162 7.132 1.00 0.13 C ATOM 1677 CG2 ILE A 107 7.661 6.166 6.853 1.00 0.16 C ATOM 1678 CD1 ILE A 107 9.483 3.921 5.677 1.00 0.14 C ATOM 0 H ILE A 107 7.637 2.648 8.522 1.00 0.13 H new ATOM 0 HA ILE A 107 8.049 5.267 9.464 1.00 0.13 H new ATOM 0 HB ILE A 107 7.045 4.143 6.794 1.00 0.13 H new ATOM 0 HG12 ILE A 107 9.891 4.839 7.557 1.00 0.13 H new ATOM 0 HG13 ILE A 107 9.231 3.220 7.674 1.00 0.13 H new ATOM 0 HG21 ILE A 107 7.938 6.194 5.799 1.00 0.16 H new ATOM 0 HG22 ILE A 107 6.640 6.529 6.970 1.00 0.16 H new ATOM 0 HG23 ILE A 107 8.339 6.801 7.423 1.00 0.16 H new ATOM 0 HD11 ILE A 107 10.488 3.506 5.598 1.00 0.14 H new ATOM 0 HD12 ILE A 107 8.766 3.220 5.251 1.00 0.14 H new ATOM 0 HD13 ILE A 107 9.436 4.864 5.132 1.00 0.14 H new ATOM 1690 N ILE A 108 4.984 4.436 8.603 1.00 0.13 N ATOM 1691 CA ILE A 108 3.590 4.856 8.607 1.00 0.17 C ATOM 1692 C ILE A 108 3.135 5.190 10.017 1.00 0.23 C ATOM 1693 O ILE A 108 2.694 6.302 10.289 1.00 0.29 O ATOM 1694 CB ILE A 108 2.707 3.752 8.010 1.00 0.19 C ATOM 1695 CG1 ILE A 108 3.397 3.205 6.759 1.00 0.18 C ATOM 1696 CG2 ILE A 108 1.309 4.277 7.709 1.00 0.26 C ATOM 1697 CD1 ILE A 108 2.527 3.094 5.538 1.00 0.15 C ATOM 0 H ILE A 108 5.133 3.483 8.272 1.00 0.13 H new ATOM 0 HA ILE A 108 3.496 5.754 7.996 1.00 0.17 H new ATOM 0 HB ILE A 108 2.582 2.942 8.728 1.00 0.19 H new ATOM 0 HG12 ILE A 108 4.245 3.847 6.523 1.00 0.18 H new ATOM 0 HG13 ILE A 108 3.799 2.218 6.989 1.00 0.18 H new ATOM 0 HG21 ILE A 108 0.703 3.476 7.287 1.00 0.26 H new ATOM 0 HG22 ILE A 108 0.848 4.634 8.630 1.00 0.26 H new ATOM 0 HG23 ILE A 108 1.375 5.098 6.994 1.00 0.26 H new ATOM 0 HD11 ILE A 108 3.112 2.696 4.709 1.00 0.15 H new ATOM 0 HD12 ILE A 108 1.692 2.425 5.746 1.00 0.15 H new ATOM 0 HD13 ILE A 108 2.145 4.080 5.273 1.00 0.15 H new ATOM 1709 N SER A 109 3.265 4.224 10.912 1.00 0.28 N ATOM 1710 CA SER A 109 2.990 4.438 12.329 1.00 0.37 C ATOM 1711 C SER A 109 3.806 5.620 12.871 1.00 0.37 C ATOM 1712 O SER A 109 3.366 6.338 13.767 1.00 0.43 O ATOM 1713 CB SER A 109 3.315 3.163 13.103 1.00 0.45 C ATOM 1714 OG SER A 109 2.716 2.036 12.481 1.00 1.22 O ATOM 0 H SER A 109 3.562 3.275 10.682 1.00 0.28 H new ATOM 0 HA SER A 109 1.934 4.678 12.455 1.00 0.37 H new ATOM 0 HB2 SER A 109 4.395 3.027 13.153 1.00 0.45 H new ATOM 0 HB3 SER A 109 2.957 3.252 14.129 1.00 0.45 H new ATOM 0 HG SER A 109 3.318 1.684 11.792 1.00 1.22 H new ATOM 1720 N ARG A 110 4.976 5.833 12.278 1.00 0.33 N ATOM 1721 CA ARG A 110 5.872 6.919 12.658 1.00 0.35 C ATOM 1722 C ARG A 110 5.312 8.261 12.217 1.00 0.38 C ATOM 1723 O ARG A 110 5.542 9.287 12.857 1.00 0.48 O ATOM 1724 CB ARG A 110 7.244 6.686 12.025 1.00 0.34 C ATOM 1725 CG ARG A 110 8.194 5.923 12.897 1.00 1.27 C ATOM 1726 CD ARG A 110 9.464 5.613 12.139 1.00 1.25 C ATOM 1727 NE ARG A 110 10.409 4.821 12.924 1.00 2.39 N ATOM 1728 CZ ARG A 110 11.296 3.982 12.387 1.00 2.70 C ATOM 1729 NH1 ARG A 110 11.367 3.841 11.069 1.00 1.97 N ATOM 1730 NH2 ARG A 110 12.120 3.295 13.168 1.00 3.79 N ATOM 0 H ARG A 110 5.331 5.254 11.517 1.00 0.33 H new ATOM 0 HA ARG A 110 5.968 6.935 13.744 1.00 0.35 H new ATOM 0 HB2 ARG A 110 7.113 6.146 11.087 1.00 0.34 H new ATOM 0 HB3 ARG A 110 7.688 7.650 11.778 1.00 0.34 H new ATOM 0 HG2 ARG A 110 8.427 6.504 13.789 1.00 1.27 H new ATOM 0 HG3 ARG A 110 7.727 4.997 13.233 1.00 1.27 H new ATOM 0 HD2 ARG A 110 9.215 5.073 11.225 1.00 1.25 H new ATOM 0 HD3 ARG A 110 9.940 6.546 11.838 1.00 1.25 H new ATOM 0 HE ARG A 110 10.389 4.915 13.939 1.00 2.39 H new ATOM 0 HH11 ARG A 110 10.742 4.375 10.465 1.00 1.97 H new ATOM 0 HH12 ARG A 110 12.046 3.199 10.661 1.00 1.97 H new ATOM 0 HH21 ARG A 110 12.076 3.408 14.181 1.00 3.79 H new ATOM 0 HH22 ARG A 110 12.798 2.654 12.756 1.00 3.79 H new ATOM 1744 N TYR A 111 4.556 8.242 11.134 1.00 0.34 N ATOM 1745 CA TYR A 111 3.997 9.461 10.584 1.00 0.41 C ATOM 1746 C TYR A 111 2.601 9.721 11.118 1.00 0.49 C ATOM 1747 O TYR A 111 2.142 10.860 11.131 1.00 0.60 O ATOM 1748 CB TYR A 111 4.001 9.425 9.061 1.00 0.37 C ATOM 1749 CG TYR A 111 5.297 9.943 8.493 1.00 0.38 C ATOM 1750 CD1 TYR A 111 5.540 11.305 8.385 1.00 0.48 C ATOM 1751 CD2 TYR A 111 6.290 9.070 8.101 1.00 0.34 C ATOM 1752 CE1 TYR A 111 6.740 11.777 7.893 1.00 0.53 C ATOM 1753 CE2 TYR A 111 7.497 9.530 7.616 1.00 0.40 C ATOM 1754 CZ TYR A 111 7.717 10.883 7.513 1.00 0.48 C ATOM 1755 OH TYR A 111 8.921 11.343 7.037 1.00 0.55 O ATOM 0 H TYR A 111 4.316 7.395 10.619 1.00 0.34 H new ATOM 0 HA TYR A 111 4.631 10.288 10.904 1.00 0.41 H new ATOM 0 HB2 TYR A 111 3.838 8.402 8.721 1.00 0.37 H new ATOM 0 HB3 TYR A 111 3.173 10.023 8.681 1.00 0.37 H new ATOM 0 HD1 TYR A 111 4.778 12.007 8.691 1.00 0.48 H new ATOM 0 HD2 TYR A 111 6.120 8.006 8.175 1.00 0.34 H new ATOM 0 HE1 TYR A 111 6.912 12.840 7.806 1.00 0.53 H new ATOM 0 HE2 TYR A 111 8.265 8.831 7.319 1.00 0.40 H new ATOM 0 HH TYR A 111 9.627 10.701 7.260 1.00 0.55 H new ATOM 1765 N LYS A 112 1.937 8.668 11.568 1.00 0.51 N ATOM 1766 CA LYS A 112 0.633 8.808 12.204 1.00 0.63 C ATOM 1767 C LYS A 112 0.817 9.268 13.642 1.00 0.67 C ATOM 1768 O LYS A 112 -0.064 9.892 14.230 1.00 0.77 O ATOM 1769 CB LYS A 112 -0.130 7.490 12.143 1.00 0.72 C ATOM 1770 CG LYS A 112 -0.307 6.982 10.732 1.00 0.76 C ATOM 1771 CD LYS A 112 -0.345 5.474 10.719 1.00 0.65 C ATOM 1772 CE LYS A 112 -1.527 4.941 11.494 1.00 1.28 C ATOM 1773 NZ LYS A 112 -2.824 5.352 10.891 1.00 1.76 N ATOM 0 H LYS A 112 2.277 7.708 11.506 1.00 0.51 H new ATOM 0 HA LYS A 112 0.047 9.557 11.671 1.00 0.63 H new ATOM 0 HB2 LYS A 112 0.401 6.741 12.730 1.00 0.72 H new ATOM 0 HB3 LYS A 112 -1.110 7.621 12.603 1.00 0.72 H new ATOM 0 HG2 LYS A 112 -1.229 7.379 10.308 1.00 0.76 H new ATOM 0 HG3 LYS A 112 0.511 7.337 10.105 1.00 0.76 H new ATOM 0 HD2 LYS A 112 -0.394 5.120 9.689 1.00 0.65 H new ATOM 0 HD3 LYS A 112 0.578 5.082 11.147 1.00 0.65 H new ATOM 0 HE2 LYS A 112 -1.474 3.853 11.532 1.00 1.28 H new ATOM 0 HE3 LYS A 112 -1.477 5.299 12.522 1.00 1.28 H new ATOM 0 HZ1 LYS A 112 -3.569 4.687 11.182 1.00 1.76 H new ATOM 0 HZ2 LYS A 112 -3.069 6.310 11.214 1.00 1.76 H new ATOM 0 HZ3 LYS A 112 -2.742 5.347 9.854 1.00 1.76 H new ATOM 1787 N ASP A 113 1.986 8.960 14.187 1.00 0.64 N ATOM 1788 CA ASP A 113 2.406 9.483 15.484 1.00 0.72 C ATOM 1789 C ASP A 113 2.671 10.982 15.378 1.00 0.72 C ATOM 1790 O ASP A 113 2.695 11.705 16.373 1.00 0.80 O ATOM 1791 CB ASP A 113 3.661 8.741 15.957 1.00 0.78 C ATOM 1792 CG ASP A 113 4.334 9.391 17.149 1.00 1.16 C ATOM 1793 OD1 ASP A 113 3.750 9.376 18.254 1.00 1.18 O ATOM 1794 OD2 ASP A 113 5.463 9.904 16.986 1.00 1.56 O ATOM 0 H ASP A 113 2.669 8.343 13.746 1.00 0.64 H new ATOM 0 HA ASP A 113 1.613 9.325 16.215 1.00 0.72 H new ATOM 0 HB2 ASP A 113 3.392 7.717 16.215 1.00 0.78 H new ATOM 0 HB3 ASP A 113 4.373 8.686 15.133 1.00 0.78 H new ATOM 1799 N ALA A 114 2.849 11.439 14.151 1.00 0.68 N ATOM 1800 CA ALA A 114 3.056 12.848 13.876 1.00 0.76 C ATOM 1801 C ALA A 114 1.904 13.400 13.046 1.00 0.86 C ATOM 1802 O ALA A 114 2.046 14.414 12.364 1.00 1.09 O ATOM 1803 CB ALA A 114 4.377 13.056 13.155 1.00 0.82 C ATOM 0 H ALA A 114 2.854 10.846 13.321 1.00 0.68 H new ATOM 0 HA ALA A 114 3.090 13.387 14.823 1.00 0.76 H new ATOM 0 HB1 ALA A 114 4.519 14.118 12.955 1.00 0.82 H new ATOM 0 HB2 ALA A 114 5.193 12.692 13.779 1.00 0.82 H new ATOM 0 HB3 ALA A 114 4.368 12.508 12.213 1.00 0.82 H new ATOM 1809 N ASP A 115 0.764 12.725 13.104 1.00 0.85 N ATOM 1810 CA ASP A 115 -0.396 13.118 12.315 1.00 1.01 C ATOM 1811 C ASP A 115 -1.577 13.386 13.232 1.00 1.32 C ATOM 1812 O ASP A 115 -2.351 12.444 13.498 1.00 2.16 O ATOM 1813 CB ASP A 115 -0.756 12.023 11.309 1.00 1.00 C ATOM 1814 CG ASP A 115 -1.673 12.517 10.207 1.00 1.24 C ATOM 1815 OD1 ASP A 115 -2.884 12.692 10.455 1.00 1.39 O ATOM 1816 OD2 ASP A 115 -1.181 12.735 9.078 1.00 1.51 O ATOM 1817 OXT ASP A 115 -1.709 14.532 13.713 1.00 1.44 O ATOM 0 H ASP A 115 0.617 11.903 13.689 1.00 0.85 H new ATOM 0 HA ASP A 115 -0.152 14.028 11.767 1.00 1.01 H new ATOM 0 HB2 ASP A 115 0.158 11.629 10.865 1.00 1.00 H new ATOM 0 HB3 ASP A 115 -1.238 11.198 11.834 1.00 1.00 H new TER 1822 ASP A 115 ATOM 1823 N GLY B 242 -13.119 -19.725 9.419 1.00 25.39 N ATOM 1824 CA GLY B 242 -14.190 -19.618 8.401 1.00 25.32 C ATOM 1825 C GLY B 242 -14.214 -18.254 7.751 1.00 24.90 C ATOM 1826 O GLY B 242 -13.165 -17.644 7.546 1.00 24.93 O ATOM 0 HA2 GLY B 242 -14.043 -20.382 7.637 1.00 25.32 H new ATOM 0 HA3 GLY B 242 -15.155 -19.815 8.867 1.00 25.32 H new ATOM 1832 N GLY B 243 -15.406 -17.769 7.440 1.00 24.60 N ATOM 1833 CA GLY B 243 -15.543 -16.480 6.795 1.00 24.30 C ATOM 1834 C GLY B 243 -16.763 -16.434 5.905 1.00 23.95 C ATOM 1835 O GLY B 243 -17.504 -15.449 5.900 1.00 23.75 O ATOM 0 H GLY B 243 -16.287 -18.249 7.624 1.00 24.60 H new ATOM 0 HA2 GLY B 243 -15.614 -15.699 7.552 1.00 24.30 H new ATOM 0 HA3 GLY B 243 -14.652 -16.271 6.204 1.00 24.30 H new ATOM 1839 N GLY B 244 -16.973 -17.508 5.161 1.00 23.97 N ATOM 1840 CA GLY B 244 -18.136 -17.606 4.305 1.00 23.78 C ATOM 1841 C GLY B 244 -18.916 -18.881 4.554 1.00 23.46 C ATOM 1842 O GLY B 244 -20.146 -18.874 4.556 1.00 23.62 O ATOM 0 H GLY B 244 -16.355 -18.319 5.135 1.00 23.97 H new ATOM 0 HA2 GLY B 244 -18.784 -16.746 4.473 1.00 23.78 H new ATOM 0 HA3 GLY B 244 -17.823 -17.570 3.262 1.00 23.78 H new ATOM 1846 N GLY B 245 -18.199 -19.976 4.767 1.00 23.13 N ATOM 1847 CA GLY B 245 -18.843 -21.244 5.044 1.00 22.92 C ATOM 1848 C GLY B 245 -18.471 -21.787 6.407 1.00 22.70 C ATOM 1849 O GLY B 245 -17.387 -21.502 6.921 1.00 22.72 O ATOM 0 H GLY B 245 -17.180 -20.008 4.753 1.00 23.13 H new ATOM 0 HA2 GLY B 245 -19.924 -21.121 4.986 1.00 22.92 H new ATOM 0 HA3 GLY B 245 -18.563 -21.967 4.278 1.00 22.92 H new ATOM 1853 N TYR B 246 -19.365 -22.570 6.998 1.00 22.59 N ATOM 1854 CA TYR B 246 -19.118 -23.142 8.316 1.00 22.48 C ATOM 1855 C TYR B 246 -18.659 -24.590 8.200 1.00 22.02 C ATOM 1856 O TYR B 246 -18.162 -25.175 9.162 1.00 22.35 O ATOM 1857 CB TYR B 246 -20.372 -23.049 9.202 1.00 23.22 C ATOM 1858 CG TYR B 246 -21.521 -23.939 8.766 1.00 23.55 C ATOM 1859 CD1 TYR B 246 -22.459 -23.498 7.841 1.00 23.67 C ATOM 1860 CD2 TYR B 246 -21.668 -25.220 9.287 1.00 23.87 C ATOM 1861 CE1 TYR B 246 -23.509 -24.308 7.448 1.00 24.09 C ATOM 1862 CE2 TYR B 246 -22.714 -26.033 8.898 1.00 24.29 C ATOM 1863 CZ TYR B 246 -23.630 -25.574 7.979 1.00 24.40 C ATOM 1864 OH TYR B 246 -24.674 -26.384 7.592 1.00 24.92 O ATOM 0 H TYR B 246 -20.264 -22.823 6.588 1.00 22.59 H new ATOM 0 HA TYR B 246 -18.323 -22.563 8.786 1.00 22.48 H new ATOM 0 HB2 TYR B 246 -20.098 -23.307 10.225 1.00 23.22 H new ATOM 0 HB3 TYR B 246 -20.716 -22.015 9.215 1.00 23.22 H new ATOM 0 HD1 TYR B 246 -22.367 -22.507 7.422 1.00 23.67 H new ATOM 0 HD2 TYR B 246 -20.952 -25.585 10.008 1.00 23.87 H new ATOM 0 HE1 TYR B 246 -24.231 -23.950 6.729 1.00 24.09 H new ATOM 0 HE2 TYR B 246 -22.813 -27.025 9.313 1.00 24.29 H new ATOM 0 HH TYR B 246 -24.612 -27.243 8.059 1.00 24.92 H new ATOM 1874 N ASP B 247 -18.824 -25.159 7.013 1.00 21.35 N ATOM 1875 CA ASP B 247 -18.447 -26.548 6.771 1.00 20.95 C ATOM 1876 C ASP B 247 -16.956 -26.661 6.521 1.00 20.12 C ATOM 1877 O ASP B 247 -16.509 -26.568 5.377 1.00 19.68 O ATOM 1878 CB ASP B 247 -19.208 -27.135 5.578 1.00 20.82 C ATOM 1879 CG ASP B 247 -20.669 -27.376 5.874 1.00 21.19 C ATOM 1880 OD1 ASP B 247 -20.987 -28.388 6.535 1.00 21.36 O ATOM 1881 OD2 ASP B 247 -21.511 -26.561 5.439 1.00 21.40 O ATOM 0 H ASP B 247 -19.216 -24.681 6.202 1.00 21.35 H new ATOM 0 HA ASP B 247 -18.709 -27.115 7.664 1.00 20.95 H new ATOM 0 HB2 ASP B 247 -19.122 -26.457 4.729 1.00 20.82 H new ATOM 0 HB3 ASP B 247 -18.742 -28.075 5.283 1.00 20.82 H new ATOM 1886 N VAL B 248 -16.209 -26.859 7.610 1.00 20.03 N ATOM 1887 CA VAL B 248 -14.753 -27.017 7.590 1.00 19.37 C ATOM 1888 C VAL B 248 -14.061 -26.070 6.605 1.00 18.15 C ATOM 1889 O VAL B 248 -13.179 -26.471 5.843 1.00 17.73 O ATOM 1890 CB VAL B 248 -14.319 -28.486 7.333 1.00 19.95 C ATOM 1891 CG1 VAL B 248 -14.818 -29.383 8.453 1.00 20.02 C ATOM 1892 CG2 VAL B 248 -14.799 -29.008 5.983 1.00 20.37 C ATOM 0 H VAL B 248 -16.607 -26.915 8.548 1.00 20.03 H new ATOM 0 HA VAL B 248 -14.422 -26.740 8.591 1.00 19.37 H new ATOM 0 HB VAL B 248 -13.229 -28.501 7.312 1.00 19.95 H new ATOM 0 HG11 VAL B 248 -14.508 -30.410 8.262 1.00 20.02 H new ATOM 0 HG12 VAL B 248 -14.399 -29.048 9.402 1.00 20.02 H new ATOM 0 HG13 VAL B 248 -15.906 -29.335 8.500 1.00 20.02 H new ATOM 0 HG21 VAL B 248 -14.469 -30.039 5.853 1.00 20.37 H new ATOM 0 HG22 VAL B 248 -15.888 -28.968 5.944 1.00 20.37 H new ATOM 0 HG23 VAL B 248 -14.384 -28.391 5.186 1.00 20.37 H new ATOM 1902 N GLU B 249 -14.460 -24.806 6.625 1.00 17.68 N ATOM 1903 CA GLU B 249 -13.810 -23.807 5.795 1.00 16.58 C ATOM 1904 C GLU B 249 -12.704 -23.122 6.581 1.00 15.78 C ATOM 1905 O GLU B 249 -12.961 -22.427 7.569 1.00 15.94 O ATOM 1906 CB GLU B 249 -14.812 -22.771 5.279 1.00 16.66 C ATOM 1907 CG GLU B 249 -14.168 -21.685 4.430 1.00 15.82 C ATOM 1908 CD GLU B 249 -15.166 -20.677 3.910 1.00 16.11 C ATOM 1909 OE1 GLU B 249 -15.440 -19.690 4.623 1.00 16.16 O ATOM 1910 OE2 GLU B 249 -15.685 -20.868 2.790 1.00 16.39 O ATOM 0 H GLU B 249 -15.223 -24.452 7.202 1.00 17.68 H new ATOM 0 HA GLU B 249 -13.379 -24.313 4.931 1.00 16.58 H new ATOM 0 HB2 GLU B 249 -15.577 -23.277 4.691 1.00 16.66 H new ATOM 0 HB3 GLU B 249 -15.316 -22.309 6.128 1.00 16.66 H new ATOM 0 HG2 GLU B 249 -13.412 -21.169 5.022 1.00 15.82 H new ATOM 0 HG3 GLU B 249 -13.653 -22.147 3.588 1.00 15.82 H new ATOM 1917 N MET B 250 -11.479 -23.340 6.140 1.00 15.05 N ATOM 1918 CA MET B 250 -10.311 -22.745 6.769 1.00 14.34 C ATOM 1919 C MET B 250 -9.261 -22.428 5.706 1.00 13.28 C ATOM 1920 O MET B 250 -8.152 -21.988 6.012 1.00 12.74 O ATOM 1921 CB MET B 250 -9.741 -23.710 7.817 1.00 14.93 C ATOM 1922 CG MET B 250 -8.663 -23.104 8.701 1.00 15.52 C ATOM 1923 SD MET B 250 -7.915 -24.308 9.821 1.00 16.05 S ATOM 1924 CE MET B 250 -9.336 -24.814 10.786 1.00 16.80 C ATOM 0 H MET B 250 -11.264 -23.933 5.338 1.00 15.05 H new ATOM 0 HA MET B 250 -10.596 -21.818 7.266 1.00 14.34 H new ATOM 0 HB2 MET B 250 -10.555 -24.065 8.448 1.00 14.93 H new ATOM 0 HB3 MET B 250 -9.330 -24.581 7.307 1.00 14.93 H new ATOM 0 HG2 MET B 250 -7.886 -22.669 8.072 1.00 15.52 H new ATOM 0 HG3 MET B 250 -9.094 -22.290 9.285 1.00 15.52 H new ATOM 0 HE1 MET B 250 -9.000 -25.310 11.696 1.00 16.80 H new ATOM 0 HE2 MET B 250 -9.928 -23.937 11.048 1.00 16.80 H new ATOM 0 HE3 MET B 250 -9.946 -25.503 10.202 1.00 16.80 H new ATOM 1934 N GLU B 251 -9.633 -22.640 4.450 1.00 13.13 N ATOM 1935 CA GLU B 251 -8.734 -22.459 3.333 1.00 12.32 C ATOM 1936 C GLU B 251 -8.383 -20.990 3.139 1.00 11.39 C ATOM 1937 O GLU B 251 -9.251 -20.113 3.165 1.00 11.50 O ATOM 1938 CB GLU B 251 -9.356 -23.045 2.064 1.00 12.74 C ATOM 1939 CG GLU B 251 -10.827 -22.723 1.881 1.00 12.69 C ATOM 1940 CD GLU B 251 -11.737 -23.815 2.412 1.00 13.07 C ATOM 1941 OE1 GLU B 251 -11.677 -24.108 3.623 1.00 13.35 O ATOM 1942 OE2 GLU B 251 -12.530 -24.373 1.630 1.00 13.21 O ATOM 0 H GLU B 251 -10.570 -22.943 4.184 1.00 13.13 H new ATOM 0 HA GLU B 251 -7.806 -22.990 3.547 1.00 12.32 H new ATOM 0 HB2 GLU B 251 -8.805 -22.674 1.199 1.00 12.74 H new ATOM 0 HB3 GLU B 251 -9.233 -24.128 2.080 1.00 12.74 H new ATOM 0 HG2 GLU B 251 -11.055 -21.786 2.390 1.00 12.69 H new ATOM 0 HG3 GLU B 251 -11.032 -22.569 0.822 1.00 12.69 H new ATOM 1949 N SER B 252 -7.100 -20.738 2.934 1.00 10.65 N ATOM 1950 CA SER B 252 -6.573 -19.385 2.866 1.00 9.85 C ATOM 1951 C SER B 252 -6.916 -18.706 1.537 1.00 8.78 C ATOM 1952 O SER B 252 -6.854 -17.482 1.425 1.00 7.90 O ATOM 1953 CB SER B 252 -5.058 -19.428 3.066 1.00 10.04 C ATOM 1954 OG SER B 252 -4.725 -20.085 4.280 1.00 10.66 O ATOM 0 H SER B 252 -6.395 -21.465 2.810 1.00 10.65 H new ATOM 0 HA SER B 252 -7.036 -18.795 3.657 1.00 9.85 H new ATOM 0 HB2 SER B 252 -4.591 -19.946 2.228 1.00 10.04 H new ATOM 0 HB3 SER B 252 -4.660 -18.413 3.076 1.00 10.04 H new ATOM 0 HG SER B 252 -3.751 -20.102 4.386 1.00 10.66 H new ATOM 1960 N GLU B 253 -7.292 -19.503 0.543 1.00 9.06 N ATOM 1961 CA GLU B 253 -7.621 -18.993 -0.783 1.00 8.41 C ATOM 1962 C GLU B 253 -8.762 -17.968 -0.716 1.00 7.74 C ATOM 1963 O GLU B 253 -8.793 -17.003 -1.480 1.00 6.93 O ATOM 1964 CB GLU B 253 -8.022 -20.157 -1.690 1.00 9.32 C ATOM 1965 CG GLU B 253 -8.198 -19.765 -3.146 1.00 9.85 C ATOM 1966 CD GLU B 253 -6.882 -19.647 -3.890 1.00 10.54 C ATOM 1967 OE1 GLU B 253 -6.247 -18.575 -3.829 1.00 10.75 O ATOM 1968 OE2 GLU B 253 -6.481 -20.630 -4.548 1.00 11.03 O ATOM 0 H GLU B 253 -7.377 -20.515 0.633 1.00 9.06 H new ATOM 0 HA GLU B 253 -6.742 -18.493 -1.189 1.00 8.41 H new ATOM 0 HB2 GLU B 253 -7.263 -20.937 -1.622 1.00 9.32 H new ATOM 0 HB3 GLU B 253 -8.954 -20.587 -1.324 1.00 9.32 H new ATOM 0 HG2 GLU B 253 -8.825 -20.505 -3.643 1.00 9.85 H new ATOM 0 HG3 GLU B 253 -8.726 -18.813 -3.199 1.00 9.85 H new ATOM 1975 N GLU B 254 -9.681 -18.180 0.217 1.00 8.32 N ATOM 1976 CA GLU B 254 -10.869 -17.339 0.345 1.00 8.15 C ATOM 1977 C GLU B 254 -10.540 -15.994 0.991 1.00 7.31 C ATOM 1978 O GLU B 254 -11.288 -15.027 0.852 1.00 6.99 O ATOM 1979 CB GLU B 254 -11.934 -18.070 1.161 1.00 9.33 C ATOM 1980 CG GLU B 254 -12.394 -19.371 0.534 1.00 10.25 C ATOM 1981 CD GLU B 254 -13.001 -19.178 -0.841 1.00 10.57 C ATOM 1982 OE1 GLU B 254 -12.241 -19.112 -1.835 1.00 10.94 O ATOM 1983 OE2 GLU B 254 -14.243 -19.100 -0.938 1.00 10.61 O ATOM 0 H GLU B 254 -9.627 -18.933 0.903 1.00 8.32 H new ATOM 0 HA GLU B 254 -11.251 -17.139 -0.656 1.00 8.15 H new ATOM 0 HB2 GLU B 254 -11.539 -18.276 2.156 1.00 9.33 H new ATOM 0 HB3 GLU B 254 -12.795 -17.414 1.289 1.00 9.33 H new ATOM 0 HG2 GLU B 254 -11.547 -20.053 0.460 1.00 10.25 H new ATOM 0 HG3 GLU B 254 -13.128 -19.844 1.187 1.00 10.25 H new ATOM 1990 N GLU B 255 -9.419 -15.942 1.697 1.00 7.27 N ATOM 1991 CA GLU B 255 -9.005 -14.732 2.399 1.00 6.83 C ATOM 1992 C GLU B 255 -8.426 -13.699 1.447 1.00 5.68 C ATOM 1993 O GLU B 255 -8.186 -12.552 1.828 1.00 5.42 O ATOM 1994 CB GLU B 255 -7.993 -15.072 3.484 1.00 7.52 C ATOM 1995 CG GLU B 255 -8.628 -15.727 4.691 1.00 8.71 C ATOM 1996 CD GLU B 255 -9.644 -14.820 5.354 1.00 9.38 C ATOM 1997 OE1 GLU B 255 -9.236 -13.855 6.030 1.00 9.65 O ATOM 1998 OE2 GLU B 255 -10.860 -15.080 5.212 1.00 9.82 O ATOM 0 H GLU B 255 -8.776 -16.727 1.800 1.00 7.27 H new ATOM 0 HA GLU B 255 -9.893 -14.298 2.859 1.00 6.83 H new ATOM 0 HB2 GLU B 255 -7.234 -15.737 3.072 1.00 7.52 H new ATOM 0 HB3 GLU B 255 -7.482 -14.161 3.797 1.00 7.52 H new ATOM 0 HG2 GLU B 255 -9.113 -16.655 4.388 1.00 8.71 H new ATOM 0 HG3 GLU B 255 -7.853 -15.992 5.410 1.00 8.71 H new ATOM 2005 N SER B 256 -8.180 -14.109 0.220 1.00 5.35 N ATOM 2006 CA SER B 256 -7.669 -13.202 -0.789 1.00 4.55 C ATOM 2007 C SER B 256 -8.360 -13.439 -2.125 1.00 4.09 C ATOM 2008 O SER B 256 -7.935 -14.285 -2.915 1.00 4.17 O ATOM 2009 CB SER B 256 -6.155 -13.369 -0.921 1.00 4.73 C ATOM 2010 OG SER B 256 -5.511 -13.140 0.323 1.00 5.13 O ATOM 0 H SER B 256 -8.326 -15.065 -0.104 1.00 5.35 H new ATOM 0 HA SER B 256 -7.881 -12.178 -0.481 1.00 4.55 H new ATOM 0 HB2 SER B 256 -5.925 -14.374 -1.275 1.00 4.73 H new ATOM 0 HB3 SER B 256 -5.772 -12.673 -1.667 1.00 4.73 H new ATOM 0 HG SER B 256 -5.681 -12.220 0.615 1.00 5.13 H new ATOM 2016 N ASP B 257 -9.441 -12.700 -2.368 1.00 4.14 N ATOM 2017 CA ASP B 257 -10.198 -12.854 -3.605 1.00 4.42 C ATOM 2018 C ASP B 257 -9.487 -12.116 -4.734 1.00 4.11 C ATOM 2019 O ASP B 257 -8.916 -12.732 -5.637 1.00 4.54 O ATOM 2020 CB ASP B 257 -11.618 -12.283 -3.454 1.00 5.14 C ATOM 2021 CG ASP B 257 -12.347 -12.770 -2.215 1.00 5.67 C ATOM 2022 OD1 ASP B 257 -12.213 -12.124 -1.151 1.00 6.20 O ATOM 2023 OD2 ASP B 257 -13.083 -13.777 -2.303 1.00 5.89 O ATOM 0 H ASP B 257 -9.809 -11.995 -1.729 1.00 4.14 H new ATOM 0 HA ASP B 257 -10.267 -13.918 -3.833 1.00 4.42 H new ATOM 0 HB2 ASP B 257 -11.561 -11.195 -3.426 1.00 5.14 H new ATOM 0 HB3 ASP B 257 -12.202 -12.549 -4.335 1.00 5.14 H new ATOM 2028 N ASP B 258 -9.523 -10.790 -4.671 1.00 3.83 N ATOM 2029 CA ASP B 258 -8.738 -9.953 -5.570 1.00 4.02 C ATOM 2030 C ASP B 258 -7.386 -9.669 -4.941 1.00 3.23 C ATOM 2031 O ASP B 258 -6.334 -10.026 -5.475 1.00 3.61 O ATOM 2032 CB ASP B 258 -9.464 -8.638 -5.871 1.00 4.65 C ATOM 2033 CG ASP B 258 -8.721 -7.776 -6.875 1.00 5.54 C ATOM 2034 OD1 ASP B 258 -7.863 -6.971 -6.454 1.00 6.14 O ATOM 2035 OD2 ASP B 258 -8.976 -7.908 -8.090 1.00 5.91 O ATOM 0 H ASP B 258 -10.091 -10.269 -4.003 1.00 3.83 H new ATOM 0 HA ASP B 258 -8.601 -10.485 -6.512 1.00 4.02 H new ATOM 0 HB2 ASP B 258 -10.461 -8.857 -6.254 1.00 4.65 H new ATOM 0 HB3 ASP B 258 -9.594 -8.079 -4.944 1.00 4.65 H new ATOM 2040 N ASP B 259 -7.449 -9.019 -3.793 1.00 2.42 N ATOM 2041 CA ASP B 259 -6.281 -8.642 -3.027 1.00 1.79 C ATOM 2042 C ASP B 259 -6.239 -9.411 -1.700 1.00 1.13 C ATOM 2043 O ASP B 259 -5.647 -10.484 -1.630 1.00 1.31 O ATOM 2044 CB ASP B 259 -6.301 -7.127 -2.794 1.00 1.99 C ATOM 2045 CG ASP B 259 -7.593 -6.625 -2.167 1.00 2.65 C ATOM 2046 OD1 ASP B 259 -8.621 -6.603 -2.869 1.00 3.32 O ATOM 2047 OD2 ASP B 259 -7.585 -6.227 -0.988 1.00 3.05 O ATOM 0 H ASP B 259 -8.329 -8.735 -3.362 1.00 2.42 H new ATOM 0 HA ASP B 259 -5.379 -8.900 -3.582 1.00 1.79 H new ATOM 0 HB2 ASP B 259 -5.465 -6.856 -2.150 1.00 1.99 H new ATOM 0 HB3 ASP B 259 -6.148 -6.619 -3.746 1.00 1.99 H new ATOM 2052 N GLY B 260 -6.854 -8.864 -0.660 1.00 0.78 N ATOM 2053 CA GLY B 260 -7.018 -9.592 0.578 1.00 0.59 C ATOM 2054 C GLY B 260 -5.846 -9.467 1.527 1.00 0.57 C ATOM 2055 O GLY B 260 -5.374 -10.463 2.078 1.00 0.84 O ATOM 0 H GLY B 260 -7.244 -7.922 -0.655 1.00 0.78 H new ATOM 0 HA2 GLY B 260 -7.918 -9.236 1.080 1.00 0.59 H new ATOM 0 HA3 GLY B 260 -7.176 -10.646 0.349 1.00 0.59 H new ATOM 2059 N PHE B 261 -5.360 -8.252 1.703 1.00 0.48 N ATOM 2060 CA PHE B 261 -4.204 -8.008 2.543 1.00 0.48 C ATOM 2061 C PHE B 261 -4.640 -7.606 3.941 1.00 0.66 C ATOM 2062 O PHE B 261 -5.812 -7.330 4.182 1.00 0.95 O ATOM 2063 CB PHE B 261 -3.350 -6.892 1.948 1.00 0.50 C ATOM 2064 CG PHE B 261 -3.168 -6.999 0.469 1.00 0.46 C ATOM 2065 CD1 PHE B 261 -3.066 -8.234 -0.141 1.00 0.44 C ATOM 2066 CD2 PHE B 261 -3.120 -5.865 -0.313 1.00 0.67 C ATOM 2067 CE1 PHE B 261 -2.921 -8.335 -1.502 1.00 0.51 C ATOM 2068 CE2 PHE B 261 -2.975 -5.960 -1.678 1.00 0.75 C ATOM 2069 CZ PHE B 261 -2.876 -7.197 -2.276 1.00 0.62 C ATOM 0 H PHE B 261 -5.752 -7.415 1.272 1.00 0.48 H new ATOM 0 HA PHE B 261 -3.621 -8.927 2.597 1.00 0.48 H new ATOM 0 HB2 PHE B 261 -3.810 -5.931 2.180 1.00 0.50 H new ATOM 0 HB3 PHE B 261 -2.371 -6.901 2.427 1.00 0.50 H new ATOM 0 HD1 PHE B 261 -3.101 -9.131 0.460 1.00 0.44 H new ATOM 0 HD2 PHE B 261 -3.197 -4.892 0.150 1.00 0.67 H new ATOM 0 HE1 PHE B 261 -2.842 -9.307 -1.966 1.00 0.51 H new ATOM 0 HE2 PHE B 261 -2.939 -5.065 -2.281 1.00 0.75 H new ATOM 0 HZ PHE B 261 -2.764 -7.274 -3.347 1.00 0.62 H new ATOM 2079 N VAL B 262 -3.691 -7.559 4.851 1.00 0.55 N ATOM 2080 CA VAL B 262 -3.948 -7.094 6.198 1.00 0.67 C ATOM 2081 C VAL B 262 -2.852 -6.119 6.602 1.00 0.54 C ATOM 2082 O VAL B 262 -1.811 -6.040 5.945 1.00 0.50 O ATOM 2083 CB VAL B 262 -4.003 -8.268 7.207 1.00 0.84 C ATOM 2084 CG1 VAL B 262 -2.605 -8.773 7.544 1.00 1.37 C ATOM 2085 CG2 VAL B 262 -4.756 -7.866 8.466 1.00 1.14 C ATOM 0 H VAL B 262 -2.725 -7.840 4.680 1.00 0.55 H new ATOM 0 HA VAL B 262 -4.920 -6.600 6.213 1.00 0.67 H new ATOM 0 HB VAL B 262 -4.546 -9.087 6.736 1.00 0.84 H new ATOM 0 HG11 VAL B 262 -2.677 -9.597 8.254 1.00 1.37 H new ATOM 0 HG12 VAL B 262 -2.114 -9.120 6.635 1.00 1.37 H new ATOM 0 HG13 VAL B 262 -2.022 -7.964 7.985 1.00 1.37 H new ATOM 0 HG21 VAL B 262 -4.781 -8.707 9.159 1.00 1.14 H new ATOM 0 HG22 VAL B 262 -4.252 -7.022 8.937 1.00 1.14 H new ATOM 0 HG23 VAL B 262 -5.775 -7.580 8.205 1.00 1.14 H new ATOM 2095 N GLU B 263 -3.092 -5.355 7.642 1.00 0.57 N ATOM 2096 CA GLU B 263 -2.064 -4.504 8.193 1.00 0.55 C ATOM 2097 C GLU B 263 -1.524 -5.124 9.470 1.00 0.56 C ATOM 2098 O GLU B 263 -2.274 -5.688 10.262 1.00 0.62 O ATOM 2099 CB GLU B 263 -2.593 -3.084 8.421 1.00 0.73 C ATOM 2100 CG GLU B 263 -4.069 -3.001 8.794 1.00 1.21 C ATOM 2101 CD GLU B 263 -4.338 -3.286 10.255 1.00 1.73 C ATOM 2102 OE1 GLU B 263 -3.965 -2.444 11.099 1.00 2.20 O ATOM 2103 OE2 GLU B 263 -4.931 -4.337 10.558 1.00 2.24 O ATOM 0 H GLU B 263 -3.990 -5.305 8.123 1.00 0.57 H new ATOM 0 HA GLU B 263 -1.243 -4.421 7.481 1.00 0.55 H new ATOM 0 HB2 GLU B 263 -2.007 -2.616 9.212 1.00 0.73 H new ATOM 0 HB3 GLU B 263 -2.429 -2.501 7.515 1.00 0.73 H new ATOM 0 HG2 GLU B 263 -4.442 -2.006 8.551 1.00 1.21 H new ATOM 0 HG3 GLU B 263 -4.630 -3.709 8.184 1.00 1.21 H new ATOM 2110 N VAL B 264 -0.213 -5.063 9.637 1.00 0.65 N ATOM 2111 CA VAL B 264 0.430 -5.660 10.791 1.00 0.82 C ATOM 2112 C VAL B 264 0.067 -4.879 12.058 1.00 1.08 C ATOM 2113 O VAL B 264 0.554 -3.771 12.300 1.00 1.31 O ATOM 2114 CB VAL B 264 1.968 -5.749 10.602 1.00 1.01 C ATOM 2115 CG1 VAL B 264 2.562 -4.382 10.289 1.00 1.41 C ATOM 2116 CG2 VAL B 264 2.626 -6.358 11.834 1.00 1.31 C ATOM 0 H VAL B 264 0.425 -4.605 8.986 1.00 0.65 H new ATOM 0 HA VAL B 264 0.063 -6.681 10.898 1.00 0.82 H new ATOM 0 HB VAL B 264 2.166 -6.401 9.751 1.00 1.01 H new ATOM 0 HG11 VAL B 264 3.641 -4.474 10.162 1.00 1.41 H new ATOM 0 HG12 VAL B 264 2.120 -3.995 9.371 1.00 1.41 H new ATOM 0 HG13 VAL B 264 2.351 -3.697 11.110 1.00 1.41 H new ATOM 0 HG21 VAL B 264 3.704 -6.412 11.682 1.00 1.31 H new ATOM 0 HG22 VAL B 264 2.413 -5.737 12.704 1.00 1.31 H new ATOM 0 HG23 VAL B 264 2.232 -7.361 11.998 1.00 1.31 H new ATOM 2126 N ASP B 265 -0.826 -5.453 12.839 1.00 1.21 N ATOM 2127 CA ASP B 265 -1.340 -4.801 14.032 1.00 1.59 C ATOM 2128 C ASP B 265 -1.205 -5.716 15.234 1.00 1.83 C ATOM 2129 O ASP B 265 -0.507 -5.337 16.196 1.00 2.02 O ATOM 2130 CB ASP B 265 -2.806 -4.411 13.838 1.00 1.75 C ATOM 2131 CG ASP B 265 -3.397 -3.755 15.068 1.00 2.35 C ATOM 2132 OD1 ASP B 265 -3.108 -2.564 15.307 1.00 3.04 O ATOM 2133 OD2 ASP B 265 -4.148 -4.431 15.804 1.00 2.67 O ATOM 2134 OXT ASP B 265 -1.766 -6.832 15.195 1.00 2.32 O ATOM 0 H ASP B 265 -1.216 -6.380 12.668 1.00 1.21 H new ATOM 0 HA ASP B 265 -0.755 -3.898 14.208 1.00 1.59 H new ATOM 0 HB2 ASP B 265 -2.889 -3.730 12.991 1.00 1.75 H new ATOM 0 HB3 ASP B 265 -3.386 -5.300 13.590 1.00 1.75 H new TER 2139 ASP B 265