USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 698 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 58 ASN : amide:sc= 1.04 K(o=3,f=1) USER MOD Set 1.2: A 69 THR OG1 : rot -19:sc= 1.91 USER MOD Set 2.1: A 45 GLN : amide:sc= 0.906 X(o=1.7,f=1.7) USER MOD Set 2.2: A 68 TYR OH : rot -162:sc= 0.834 USER MOD Set 3.1: A 27 ASN : amide:sc= 0.671 K(o=1.4,f=-7.6!) USER MOD Set 3.2: A 31 LYS NZ :NH3+ 156:sc= 0.697 (180deg=-0.23) USER MOD Set 4.1: A 3 LYS NZ :NH3+ 179:sc= 0.787 (180deg=0.818) USER MOD Set 4.2: A 82 SER OG : rot -46:sc= 1.14 USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.00282) USER MOD Single : A 1 MET N :NH3+ -179:sc= 2.36 (180deg=2.28) USER MOD Single : A 2 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0443) USER MOD Single : A 6 GLN : amide:sc= 1.93 K(o=1.9,f=-5.5!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -163:sc= -0.169 (180deg=-0.997) USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= -0.0122 (180deg=-0.15) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= -10.6! C(o=-11!,f=-14!) USER MOD Single : A 22 SER OG : rot 180:sc= 0.264 USER MOD Single : A 23 SER OG : rot 29:sc= 0.446 USER MOD Single : A 25 ASN : amide:sc= 0.653 K(o=0.65,f=-6!) USER MOD Single : A 26 THR OG1 : rot -51:sc= 1.59 USER MOD Single : A 34 SER OG : rot 83:sc= 1.25 USER MOD Single : A 35 LYS NZ :NH3+ -169:sc= 0.873 (180deg=0.746) USER MOD Single : A 36 THR OG1 : rot -34:sc= 1.18 USER MOD Single : A 37 SER OG : rot 107:sc= 1.24 USER MOD Single : A 38 THR OG1 : rot 64:sc= 0.164 USER MOD Single : A 40 SER OG : rot 180:sc= 0.015 USER MOD Single : A 42 LYS NZ :NH3+ 148:sc= -0.175 (180deg=-0.658) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : A 46 THR OG1 : rot 67:sc= 0.892 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -176:sc= 0.033 (180deg=-0.0118) USER MOD Single : A 59 HIS : no HD1:sc= -0.143 K(o=-0.14,f=-2.2!) USER MOD Single : A 60 HIS : no HD1:sc= 0.682 K(o=0.68,f=-3.2!) USER MOD Single : A 61 LYS NZ :NH3+ -151:sc= 0.821 (180deg=0.36) USER MOD Single : A 71 ASN : amide:sc= 0.633 K(o=0.63,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 40:sc= 1.38 USER MOD Single : A 81 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.115) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.658 11.407 4.452 1.00 0.00 N ATOM 2 CA MET A 1 5.018 12.164 5.663 1.00 0.00 C ATOM 3 C MET A 1 4.558 13.598 5.417 1.00 0.00 C ATOM 4 O MET A 1 3.588 13.758 4.681 1.00 0.00 O ATOM 5 CB MET A 1 6.531 12.083 5.944 1.00 0.00 C ATOM 6 CG MET A 1 7.031 10.646 6.125 1.00 0.00 C ATOM 7 SD MET A 1 6.122 9.660 7.340 1.00 0.00 S ATOM 8 CE MET A 1 6.562 10.512 8.871 1.00 0.00 C ATOM 0 H1 MET A 1 4.934 10.411 4.570 1.00 0.00 H new ATOM 0 H2 MET A 1 3.631 11.465 4.299 1.00 0.00 H new ATOM 0 H3 MET A 1 5.154 11.809 3.631 1.00 0.00 H new ATOM 0 HA MET A 1 4.536 11.751 6.549 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.073 12.549 5.121 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.759 12.657 6.842 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.985 10.138 5.162 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.080 10.678 6.419 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.091 10.009 9.716 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.645 10.497 8.998 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.216 11.545 8.825 1.00 0.00 H new ATOM 20 N LYS A 2 5.233 14.614 5.973 1.00 0.00 N ATOM 21 CA LYS A 2 4.963 15.997 5.595 1.00 0.00 C ATOM 22 C LYS A 2 5.221 16.074 4.086 1.00 0.00 C ATOM 23 O LYS A 2 4.419 16.606 3.325 1.00 0.00 O ATOM 24 CB LYS A 2 5.867 16.945 6.397 1.00 0.00 C ATOM 25 CG LYS A 2 5.541 18.414 6.100 1.00 0.00 C ATOM 26 CD LYS A 2 6.417 19.335 6.961 1.00 0.00 C ATOM 27 CE LYS A 2 6.190 20.814 6.625 1.00 0.00 C ATOM 28 NZ LYS A 2 4.807 21.240 6.902 1.00 0.00 N ATOM 0 H LYS A 2 5.961 14.500 6.678 1.00 0.00 H new ATOM 0 HA LYS A 2 3.940 16.302 5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.745 16.752 7.463 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.911 16.746 6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.707 18.625 5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.488 18.609 6.302 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.198 19.164 8.015 1.00 0.00 H new ATOM 0 HD3 LYS A 2 7.467 19.085 6.809 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.880 21.427 7.204 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.418 20.985 5.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.724 22.267 6.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.156 20.746 6.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.563 21.008 7.886 1.00 0.00 H new ATOM 42 N LYS A 3 6.350 15.493 3.666 1.00 0.00 N ATOM 43 CA LYS A 3 6.643 15.276 2.265 1.00 0.00 C ATOM 44 C LYS A 3 5.726 14.141 1.803 1.00 0.00 C ATOM 45 O LYS A 3 5.589 13.126 2.501 1.00 0.00 O ATOM 46 CB LYS A 3 8.099 14.830 2.076 1.00 0.00 C ATOM 47 CG LYS A 3 9.134 15.959 2.097 1.00 0.00 C ATOM 48 CD LYS A 3 9.307 16.614 3.473 1.00 0.00 C ATOM 49 CE LYS A 3 10.526 17.545 3.481 1.00 0.00 C ATOM 50 NZ LYS A 3 11.796 16.800 3.377 1.00 0.00 N ATOM 0 H LYS A 3 7.080 15.163 4.297 1.00 0.00 H new ATOM 0 HA LYS A 3 6.490 16.195 1.700 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.348 14.115 2.860 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.180 14.302 1.126 1.00 0.00 H new ATOM 0 HG2 LYS A 3 10.096 15.564 1.769 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.841 16.722 1.376 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.410 17.179 3.728 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.426 15.844 4.235 1.00 0.00 H new ATOM 0 HE2 LYS A 3 10.450 18.248 2.651 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.526 18.134 4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.592 17.470 3.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 11.890 16.160 4.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 11.802 16.245 2.497 1.00 0.00 H new ATOM 64 N ILE A 4 5.093 14.311 0.641 1.00 0.00 N ATOM 65 CA ILE A 4 4.279 13.262 0.044 1.00 0.00 C ATOM 66 C ILE A 4 5.171 12.023 -0.148 1.00 0.00 C ATOM 67 O ILE A 4 6.370 12.167 -0.388 1.00 0.00 O ATOM 68 CB ILE A 4 3.605 13.760 -1.249 1.00 0.00 C ATOM 69 CG1 ILE A 4 4.626 14.275 -2.279 1.00 0.00 C ATOM 70 CG2 ILE A 4 2.573 14.841 -0.891 1.00 0.00 C ATOM 71 CD1 ILE A 4 3.963 14.758 -3.570 1.00 0.00 C ATOM 0 H ILE A 4 5.132 15.172 0.095 1.00 0.00 H new ATOM 0 HA ILE A 4 3.452 12.981 0.697 1.00 0.00 H new ATOM 0 HB ILE A 4 3.100 12.919 -1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.199 15.092 -1.841 1.00 0.00 H new ATOM 0 HG13 ILE A 4 5.334 13.480 -2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.091 15.199 -1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.821 14.420 -0.224 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.074 15.672 -0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.728 15.111 -4.262 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.412 13.935 -4.026 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.276 15.573 -3.343 1.00 0.00 H new ATOM 83 N PRO A 5 4.626 10.809 0.016 1.00 0.00 N ATOM 84 CA PRO A 5 5.413 9.589 -0.006 1.00 0.00 C ATOM 85 C PRO A 5 6.201 9.402 -1.310 1.00 0.00 C ATOM 86 O PRO A 5 5.631 9.333 -2.400 1.00 0.00 O ATOM 87 CB PRO A 5 4.422 8.459 0.292 1.00 0.00 C ATOM 88 CG PRO A 5 3.059 9.036 -0.086 1.00 0.00 C ATOM 89 CD PRO A 5 3.218 10.519 0.235 1.00 0.00 C ATOM 0 HA PRO A 5 6.204 9.611 0.743 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.651 7.567 -0.291 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.453 8.170 1.343 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.829 8.873 -1.139 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.253 8.582 0.491 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.586 11.131 -0.408 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.928 10.732 1.264 1.00 0.00 H new ATOM 97 N GLN A 6 7.528 9.305 -1.181 1.00 0.00 N ATOM 98 CA GLN A 6 8.469 9.098 -2.270 1.00 0.00 C ATOM 99 C GLN A 6 8.351 7.642 -2.737 1.00 0.00 C ATOM 100 O GLN A 6 9.175 6.791 -2.407 1.00 0.00 O ATOM 101 CB GLN A 6 9.897 9.442 -1.807 1.00 0.00 C ATOM 102 CG GLN A 6 10.082 10.911 -1.376 1.00 0.00 C ATOM 103 CD GLN A 6 9.715 11.202 0.083 1.00 0.00 C ATOM 104 OE1 GLN A 6 9.105 10.383 0.770 1.00 0.00 O ATOM 105 NE2 GLN A 6 10.108 12.364 0.591 1.00 0.00 N ATOM 0 H GLN A 6 7.988 9.372 -0.273 1.00 0.00 H new ATOM 0 HA GLN A 6 8.240 9.755 -3.109 1.00 0.00 H new ATOM 0 HB2 GLN A 6 10.163 8.793 -0.972 1.00 0.00 H new ATOM 0 HB3 GLN A 6 10.593 9.222 -2.616 1.00 0.00 H new ATOM 0 HG2 GLN A 6 11.122 11.195 -1.538 1.00 0.00 H new ATOM 0 HG3 GLN A 6 9.474 11.544 -2.022 1.00 0.00 H new ATOM 0 HE21 GLN A 6 10.613 13.031 0.007 1.00 0.00 H new ATOM 0 HE22 GLN A 6 9.905 12.589 1.565 1.00 0.00 H new ATOM 114 N ILE A 7 7.294 7.358 -3.494 1.00 0.00 N ATOM 115 CA ILE A 7 6.941 6.019 -3.945 1.00 0.00 C ATOM 116 C ILE A 7 7.763 5.576 -5.156 1.00 0.00 C ATOM 117 O ILE A 7 8.140 6.390 -5.996 1.00 0.00 O ATOM 118 CB ILE A 7 5.433 6.021 -4.260 1.00 0.00 C ATOM 119 CG1 ILE A 7 4.607 6.089 -2.971 1.00 0.00 C ATOM 120 CG2 ILE A 7 4.962 4.890 -5.184 1.00 0.00 C ATOM 121 CD1 ILE A 7 4.614 4.799 -2.149 1.00 0.00 C ATOM 0 H ILE A 7 6.643 8.074 -3.818 1.00 0.00 H new ATOM 0 HA ILE A 7 7.168 5.298 -3.160 1.00 0.00 H new ATOM 0 HB ILE A 7 5.259 6.928 -4.839 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.987 6.902 -2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.577 6.338 -3.226 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.888 4.976 -5.346 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.480 4.962 -6.140 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.183 3.927 -4.723 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.006 4.934 -1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.205 3.985 -2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.637 4.558 -1.859 1.00 0.00 H new ATOM 133 N SER A 8 8.011 4.262 -5.239 1.00 0.00 N ATOM 134 CA SER A 8 8.695 3.607 -6.351 1.00 0.00 C ATOM 135 C SER A 8 7.665 2.807 -7.158 1.00 0.00 C ATOM 136 O SER A 8 6.642 2.412 -6.607 1.00 0.00 O ATOM 137 CB SER A 8 9.779 2.680 -5.793 1.00 0.00 C ATOM 138 OG SER A 8 10.652 3.406 -4.951 1.00 0.00 O ATOM 0 H SER A 8 7.730 3.609 -4.508 1.00 0.00 H new ATOM 0 HA SER A 8 9.165 4.344 -7.002 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.319 1.864 -5.236 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.341 2.230 -6.612 1.00 0.00 H new ATOM 0 HG SER A 8 11.341 2.805 -4.598 1.00 0.00 H new ATOM 144 N ASP A 9 7.923 2.517 -8.437 1.00 0.00 N ATOM 145 CA ASP A 9 6.985 1.786 -9.296 1.00 0.00 C ATOM 146 C ASP A 9 6.427 0.515 -8.635 1.00 0.00 C ATOM 147 O ASP A 9 5.214 0.316 -8.570 1.00 0.00 O ATOM 148 CB ASP A 9 7.656 1.453 -10.631 1.00 0.00 C ATOM 149 CG ASP A 9 6.716 0.653 -11.528 1.00 0.00 C ATOM 150 OD1 ASP A 9 5.818 1.289 -12.119 1.00 0.00 O ATOM 151 OD2 ASP A 9 6.911 -0.580 -11.594 1.00 0.00 O ATOM 0 H ASP A 9 8.789 2.782 -8.907 1.00 0.00 H new ATOM 0 HA ASP A 9 6.130 2.439 -9.468 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.950 2.374 -11.135 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.568 0.883 -10.452 1.00 0.00 H new ATOM 156 N ALA A 10 7.321 -0.332 -8.117 1.00 0.00 N ATOM 157 CA ALA A 10 6.954 -1.586 -7.465 1.00 0.00 C ATOM 158 C ALA A 10 6.082 -1.383 -6.224 1.00 0.00 C ATOM 159 O ALA A 10 5.421 -2.314 -5.782 1.00 0.00 O ATOM 160 CB ALA A 10 8.218 -2.379 -7.125 1.00 0.00 C ATOM 0 H ALA A 10 8.327 -0.163 -8.140 1.00 0.00 H new ATOM 0 HA ALA A 10 6.345 -2.154 -8.169 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.941 -3.314 -6.639 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.769 -2.595 -8.040 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.846 -1.793 -6.454 1.00 0.00 H new ATOM 166 N GLU A 11 6.101 -0.188 -5.636 1.00 0.00 N ATOM 167 CA GLU A 11 5.241 0.160 -4.520 1.00 0.00 C ATOM 168 C GLU A 11 3.918 0.647 -5.126 1.00 0.00 C ATOM 169 O GLU A 11 2.842 0.137 -4.821 1.00 0.00 O ATOM 170 CB GLU A 11 5.961 1.221 -3.674 1.00 0.00 C ATOM 171 CG GLU A 11 7.226 0.640 -3.019 1.00 0.00 C ATOM 172 CD GLU A 11 8.168 1.711 -2.474 1.00 0.00 C ATOM 173 OE1 GLU A 11 7.908 2.905 -2.742 1.00 0.00 O ATOM 174 OE2 GLU A 11 9.160 1.311 -1.826 1.00 0.00 O ATOM 0 H GLU A 11 6.721 0.568 -5.927 1.00 0.00 H new ATOM 0 HA GLU A 11 5.025 -0.675 -3.854 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.230 2.071 -4.302 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.287 1.595 -2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.934 -0.025 -2.206 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.760 0.034 -3.751 1.00 0.00 H new ATOM 181 N LEU A 12 4.003 1.615 -6.040 1.00 0.00 N ATOM 182 CA LEU A 12 2.861 2.216 -6.712 1.00 0.00 C ATOM 183 C LEU A 12 1.902 1.167 -7.286 1.00 0.00 C ATOM 184 O LEU A 12 0.686 1.325 -7.163 1.00 0.00 O ATOM 185 CB LEU A 12 3.360 3.173 -7.802 1.00 0.00 C ATOM 186 CG LEU A 12 2.245 3.998 -8.461 1.00 0.00 C ATOM 187 CD1 LEU A 12 1.676 5.026 -7.475 1.00 0.00 C ATOM 188 CD2 LEU A 12 2.819 4.720 -9.684 1.00 0.00 C ATOM 0 H LEU A 12 4.895 2.010 -6.338 1.00 0.00 H new ATOM 0 HA LEU A 12 2.287 2.777 -5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.093 3.852 -7.368 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.875 2.597 -8.570 1.00 0.00 H new ATOM 0 HG LEU A 12 1.438 3.330 -8.763 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.888 5.600 -7.962 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.266 4.509 -6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.470 5.700 -7.154 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.035 5.309 -10.160 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.629 5.379 -9.371 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.202 3.986 -10.393 1.00 0.00 H new ATOM 200 N GLU A 13 2.418 0.088 -7.895 1.00 0.00 N ATOM 201 CA GLU A 13 1.542 -0.942 -8.455 1.00 0.00 C ATOM 202 C GLU A 13 0.542 -1.473 -7.428 1.00 0.00 C ATOM 203 O GLU A 13 -0.601 -1.786 -7.757 1.00 0.00 O ATOM 204 CB GLU A 13 2.340 -2.091 -9.088 1.00 0.00 C ATOM 205 CG GLU A 13 3.044 -3.090 -8.192 1.00 0.00 C ATOM 206 CD GLU A 13 3.764 -4.151 -9.024 1.00 0.00 C ATOM 207 OE1 GLU A 13 4.941 -3.907 -9.363 1.00 0.00 O ATOM 208 OE2 GLU A 13 3.119 -5.183 -9.315 1.00 0.00 O ATOM 0 H GLU A 13 3.416 -0.089 -8.009 1.00 0.00 H new ATOM 0 HA GLU A 13 0.970 -0.459 -9.247 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.657 -2.650 -9.728 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.094 -1.647 -9.738 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.761 -2.572 -7.555 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.319 -3.568 -7.533 1.00 0.00 H new ATOM 215 N VAL A 14 0.984 -1.570 -6.177 1.00 0.00 N ATOM 216 CA VAL A 14 0.180 -2.104 -5.096 1.00 0.00 C ATOM 217 C VAL A 14 -0.747 -1.001 -4.599 1.00 0.00 C ATOM 218 O VAL A 14 -1.920 -1.253 -4.323 1.00 0.00 O ATOM 219 CB VAL A 14 1.078 -2.773 -4.038 1.00 0.00 C ATOM 220 CG1 VAL A 14 2.336 -3.349 -4.711 1.00 0.00 C ATOM 221 CG2 VAL A 14 1.394 -1.962 -2.774 1.00 0.00 C ATOM 0 H VAL A 14 1.918 -1.277 -5.889 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.472 -2.914 -5.424 1.00 0.00 H new ATOM 0 HB VAL A 14 0.473 -3.581 -3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.968 -3.821 -3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.044 -4.090 -5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.889 -2.545 -5.197 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.033 -2.549 -2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.907 -1.041 -3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.466 -1.719 -2.256 1.00 0.00 H new ATOM 231 N MET A 15 -0.240 0.237 -4.545 1.00 0.00 N ATOM 232 CA MET A 15 -1.074 1.377 -4.201 1.00 0.00 C ATOM 233 C MET A 15 -2.296 1.414 -5.113 1.00 0.00 C ATOM 234 O MET A 15 -3.387 1.689 -4.636 1.00 0.00 O ATOM 235 CB MET A 15 -0.341 2.708 -4.329 1.00 0.00 C ATOM 236 CG MET A 15 0.944 2.798 -3.517 1.00 0.00 C ATOM 237 SD MET A 15 1.584 4.478 -3.428 1.00 0.00 S ATOM 238 CE MET A 15 0.603 5.117 -2.060 1.00 0.00 C ATOM 0 H MET A 15 0.736 0.466 -4.735 1.00 0.00 H new ATOM 0 HA MET A 15 -1.362 1.249 -3.158 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.106 2.880 -5.379 1.00 0.00 H new ATOM 0 HB3 MET A 15 -1.011 3.509 -4.017 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.760 2.429 -2.508 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.698 2.148 -3.962 1.00 0.00 H new ATOM 0 HE1 MET A 15 0.644 6.206 -2.061 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.432 4.792 -2.171 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.002 4.740 -1.119 1.00 0.00 H new ATOM 248 N LYS A 16 -2.125 1.140 -6.412 1.00 0.00 N ATOM 249 CA LYS A 16 -3.239 1.108 -7.352 1.00 0.00 C ATOM 250 C LYS A 16 -4.330 0.144 -6.867 1.00 0.00 C ATOM 251 O LYS A 16 -5.496 0.530 -6.760 1.00 0.00 O ATOM 252 CB LYS A 16 -2.724 0.775 -8.759 1.00 0.00 C ATOM 253 CG LYS A 16 -3.780 0.984 -9.854 1.00 0.00 C ATOM 254 CD LYS A 16 -4.052 2.472 -10.130 1.00 0.00 C ATOM 255 CE LYS A 16 -5.072 2.664 -11.260 1.00 0.00 C ATOM 256 NZ LYS A 16 -4.573 2.160 -12.552 1.00 0.00 N ATOM 0 H LYS A 16 -1.218 0.937 -6.832 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.704 2.093 -7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.855 1.396 -8.978 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.388 -0.262 -8.780 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.447 0.502 -10.773 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.709 0.497 -9.557 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.421 2.949 -9.222 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.119 2.969 -10.394 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.997 2.148 -11.004 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.313 3.723 -11.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.197 2.488 -13.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.609 2.516 -12.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.560 1.120 -12.537 1.00 0.00 H new ATOM 270 N VAL A 17 -3.953 -1.104 -6.561 1.00 0.00 N ATOM 271 CA VAL A 17 -4.876 -2.103 -6.028 1.00 0.00 C ATOM 272 C VAL A 17 -5.584 -1.535 -4.796 1.00 0.00 C ATOM 273 O VAL A 17 -6.790 -1.708 -4.636 1.00 0.00 O ATOM 274 CB VAL A 17 -4.130 -3.427 -5.730 1.00 0.00 C ATOM 275 CG1 VAL A 17 -4.559 -4.110 -4.422 1.00 0.00 C ATOM 276 CG2 VAL A 17 -4.351 -4.433 -6.866 1.00 0.00 C ATOM 0 H VAL A 17 -2.999 -1.445 -6.677 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.639 -2.338 -6.770 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.082 -3.143 -5.635 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.989 -5.030 -4.288 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.370 -3.440 -3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.622 -4.345 -4.466 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.820 -5.358 -6.641 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.416 -4.641 -6.966 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.974 -4.016 -7.800 1.00 0.00 H new ATOM 286 N ILE A 18 -4.836 -0.858 -3.923 1.00 0.00 N ATOM 287 CA ILE A 18 -5.407 -0.307 -2.707 1.00 0.00 C ATOM 288 C ILE A 18 -6.375 0.841 -3.053 1.00 0.00 C ATOM 289 O ILE A 18 -7.541 0.753 -2.708 1.00 0.00 O ATOM 290 CB ILE A 18 -4.292 -0.015 -1.680 1.00 0.00 C ATOM 291 CG1 ILE A 18 -3.589 -1.360 -1.378 1.00 0.00 C ATOM 292 CG2 ILE A 18 -4.843 0.572 -0.368 1.00 0.00 C ATOM 293 CD1 ILE A 18 -2.418 -1.272 -0.405 1.00 0.00 C ATOM 0 H ILE A 18 -3.838 -0.682 -4.040 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.041 -1.028 -2.191 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.608 0.724 -2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.325 -2.055 -0.974 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.231 -1.784 -2.316 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.019 0.760 0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.361 1.508 -0.577 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.539 -0.135 0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.992 -2.264 -0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.656 -0.607 -0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.768 -0.882 0.551 1.00 0.00 H new ATOM 305 N TRP A 19 -5.982 1.896 -3.769 1.00 0.00 N ATOM 306 CA TRP A 19 -6.907 2.974 -4.130 1.00 0.00 C ATOM 307 C TRP A 19 -8.181 2.452 -4.816 1.00 0.00 C ATOM 308 O TRP A 19 -9.245 3.046 -4.664 1.00 0.00 O ATOM 309 CB TRP A 19 -6.209 4.021 -5.009 1.00 0.00 C ATOM 310 CG TRP A 19 -5.163 4.870 -4.345 1.00 0.00 C ATOM 311 CD1 TRP A 19 -5.334 5.592 -3.214 1.00 0.00 C ATOM 312 CD2 TRP A 19 -3.806 5.159 -4.793 1.00 0.00 C ATOM 313 NE1 TRP A 19 -4.176 6.277 -2.905 1.00 0.00 N ATOM 314 CE2 TRP A 19 -3.194 6.035 -3.848 1.00 0.00 C ATOM 315 CE3 TRP A 19 -3.037 4.789 -5.917 1.00 0.00 C ATOM 316 CZ2 TRP A 19 -1.871 6.480 -3.997 1.00 0.00 C ATOM 317 CZ3 TRP A 19 -1.714 5.236 -6.076 1.00 0.00 C ATOM 318 CH2 TRP A 19 -1.119 6.055 -5.102 1.00 0.00 C ATOM 0 H TRP A 19 -5.030 2.028 -4.111 1.00 0.00 H new ATOM 0 HA TRP A 19 -7.218 3.448 -3.199 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.745 3.505 -5.850 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.971 4.681 -5.422 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.246 5.627 -2.636 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -4.060 6.880 -2.091 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -3.474 4.150 -6.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -1.435 7.145 -3.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -1.152 4.948 -6.952 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -0.087 6.356 -5.204 1.00 0.00 H new ATOM 329 N LYS A 20 -8.086 1.351 -5.568 1.00 0.00 N ATOM 330 CA LYS A 20 -9.225 0.741 -6.246 1.00 0.00 C ATOM 331 C LYS A 20 -10.268 0.130 -5.282 1.00 0.00 C ATOM 332 O LYS A 20 -11.398 -0.124 -5.698 1.00 0.00 O ATOM 333 CB LYS A 20 -8.665 -0.304 -7.230 1.00 0.00 C ATOM 334 CG LYS A 20 -9.695 -1.054 -8.086 1.00 0.00 C ATOM 335 CD LYS A 20 -10.615 -0.147 -8.918 1.00 0.00 C ATOM 336 CE LYS A 20 -9.833 0.764 -9.872 1.00 0.00 C ATOM 337 NZ LYS A 20 -10.743 1.533 -10.738 1.00 0.00 N ATOM 0 H LYS A 20 -7.207 0.857 -5.722 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.779 1.515 -6.777 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.964 0.197 -7.898 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.094 -1.038 -6.661 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.166 -1.729 -8.759 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.310 -1.672 -7.432 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.305 -0.764 -9.494 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.218 0.466 -8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.209 1.448 -9.297 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.163 0.162 -10.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.187 2.141 -11.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.320 0.878 -11.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.365 2.124 -10.150 1.00 0.00 H new ATOM 351 N HIS A 21 -9.914 -0.141 -4.021 1.00 0.00 N ATOM 352 CA HIS A 21 -10.788 -0.804 -3.049 1.00 0.00 C ATOM 353 C HIS A 21 -11.753 0.158 -2.321 1.00 0.00 C ATOM 354 O HIS A 21 -11.902 1.314 -2.712 1.00 0.00 O ATOM 355 CB HIS A 21 -9.885 -1.538 -2.039 1.00 0.00 C ATOM 356 CG HIS A 21 -9.190 -0.657 -1.023 1.00 0.00 C ATOM 357 ND1 HIS A 21 -9.629 0.622 -0.689 1.00 0.00 N ATOM 358 CD2 HIS A 21 -8.017 -0.873 -0.358 1.00 0.00 C ATOM 359 CE1 HIS A 21 -8.721 1.119 0.141 1.00 0.00 C ATOM 360 NE2 HIS A 21 -7.788 0.213 0.459 1.00 0.00 N ATOM 0 H HIS A 21 -8.998 0.098 -3.642 1.00 0.00 H new ATOM 0 HA HIS A 21 -11.434 -1.498 -3.586 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -10.489 -2.271 -1.505 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -9.127 -2.092 -2.592 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -7.382 -1.741 -0.455 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -8.733 2.132 0.515 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -7.056 0.307 1.163 1.00 0.00 H new ATOM 368 N SER A 22 -12.405 -0.328 -1.249 1.00 0.00 N ATOM 369 CA SER A 22 -13.125 0.502 -0.282 1.00 0.00 C ATOM 370 C SER A 22 -12.172 0.683 0.914 1.00 0.00 C ATOM 371 O SER A 22 -11.777 1.795 1.258 1.00 0.00 O ATOM 372 CB SER A 22 -14.391 -0.259 0.123 1.00 0.00 C ATOM 373 OG SER A 22 -14.062 -1.622 0.356 1.00 0.00 O ATOM 0 H SER A 22 -12.443 -1.324 -1.032 1.00 0.00 H new ATOM 0 HA SER A 22 -13.418 1.476 -0.674 1.00 0.00 H new ATOM 0 HB2 SER A 22 -14.823 0.182 1.021 1.00 0.00 H new ATOM 0 HB3 SER A 22 -15.143 -0.183 -0.663 1.00 0.00 H new ATOM 0 HG SER A 22 -14.869 -2.113 0.617 1.00 0.00 H new ATOM 379 N SER A 23 -11.817 -0.438 1.553 1.00 0.00 N ATOM 380 CA SER A 23 -10.580 -0.613 2.297 1.00 0.00 C ATOM 381 C SER A 23 -10.045 -1.969 1.797 1.00 0.00 C ATOM 382 O SER A 23 -10.589 -2.490 0.825 1.00 0.00 O ATOM 383 CB SER A 23 -10.864 -0.580 3.798 1.00 0.00 C ATOM 384 OG SER A 23 -9.672 -0.770 4.533 1.00 0.00 O ATOM 0 H SER A 23 -12.407 -1.270 1.562 1.00 0.00 H new ATOM 0 HA SER A 23 -9.844 0.175 2.141 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.316 0.375 4.067 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.584 -1.357 4.055 1.00 0.00 H new ATOM 0 HG SER A 23 -8.912 -0.427 4.018 1.00 0.00 H new ATOM 390 N ILE A 24 -9.132 -2.643 2.502 1.00 0.00 N ATOM 391 CA ILE A 24 -8.741 -4.021 2.194 1.00 0.00 C ATOM 392 C ILE A 24 -8.197 -4.712 3.445 1.00 0.00 C ATOM 393 O ILE A 24 -7.567 -4.023 4.244 1.00 0.00 O ATOM 394 CB ILE A 24 -7.824 -4.074 0.960 1.00 0.00 C ATOM 395 CG1 ILE A 24 -7.593 -5.506 0.458 1.00 0.00 C ATOM 396 CG2 ILE A 24 -6.496 -3.353 1.211 1.00 0.00 C ATOM 397 CD1 ILE A 24 -7.250 -5.538 -1.036 1.00 0.00 C ATOM 0 H ILE A 24 -8.642 -2.247 3.304 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.617 -4.602 1.905 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.348 -3.542 0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.784 -5.964 1.026 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.487 -6.103 0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.875 -3.412 0.317 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.689 -2.307 1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.977 -3.826 2.045 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.094 -6.570 -1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.071 -5.104 -1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.341 -4.963 -1.213 1.00 0.00 H new ATOM 409 N ASN A 25 -8.366 -6.033 3.604 1.00 0.00 N ATOM 410 CA ASN A 25 -7.706 -6.789 4.675 1.00 0.00 C ATOM 411 C ASN A 25 -6.420 -7.402 4.129 1.00 0.00 C ATOM 412 O ASN A 25 -6.274 -7.567 2.917 1.00 0.00 O ATOM 413 CB ASN A 25 -8.570 -7.900 5.282 1.00 0.00 C ATOM 414 CG ASN A 25 -8.985 -8.939 4.247 1.00 0.00 C ATOM 415 OD1 ASN A 25 -8.182 -9.776 3.845 1.00 0.00 O ATOM 416 ND2 ASN A 25 -10.235 -8.890 3.801 1.00 0.00 N ATOM 0 H ASN A 25 -8.959 -6.602 2.999 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.508 -6.079 5.478 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.018 -8.390 6.084 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.461 -7.461 5.730 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.554 -9.561 3.103 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.876 -8.181 4.157 1.00 0.00 H new ATOM 423 N THR A 26 -5.505 -7.778 5.026 1.00 0.00 N ATOM 424 CA THR A 26 -4.218 -8.336 4.648 1.00 0.00 C ATOM 425 C THR A 26 -4.337 -9.484 3.646 1.00 0.00 C ATOM 426 O THR A 26 -3.688 -9.440 2.607 1.00 0.00 O ATOM 427 CB THR A 26 -3.400 -8.764 5.880 1.00 0.00 C ATOM 428 OG1 THR A 26 -3.953 -8.241 7.075 1.00 0.00 O ATOM 429 CG2 THR A 26 -1.951 -8.293 5.706 1.00 0.00 C ATOM 0 H THR A 26 -5.642 -7.701 6.034 1.00 0.00 H new ATOM 0 HA THR A 26 -3.680 -7.533 4.144 1.00 0.00 H new ATOM 0 HB THR A 26 -3.426 -9.851 5.960 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.099 -7.277 6.974 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.364 -8.592 6.575 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.527 -8.744 4.809 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.930 -7.207 5.611 1.00 0.00 H new ATOM 437 N ASN A 27 -5.154 -10.503 3.937 1.00 0.00 N ATOM 438 CA ASN A 27 -5.276 -11.654 3.046 1.00 0.00 C ATOM 439 C ASN A 27 -5.597 -11.205 1.624 1.00 0.00 C ATOM 440 O ASN A 27 -4.872 -11.547 0.693 1.00 0.00 O ATOM 441 CB ASN A 27 -6.320 -12.657 3.547 1.00 0.00 C ATOM 442 CG ASN A 27 -6.351 -13.877 2.629 1.00 0.00 C ATOM 443 OD1 ASN A 27 -7.146 -13.951 1.698 1.00 0.00 O ATOM 444 ND2 ASN A 27 -5.475 -14.847 2.873 1.00 0.00 N ATOM 0 H ASN A 27 -5.734 -10.551 4.775 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.313 -12.164 3.040 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.083 -12.964 4.566 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.303 -12.188 3.576 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.454 -15.676 2.280 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.824 -14.762 3.654 1.00 0.00 H new ATOM 451 N GLU A 28 -6.653 -10.405 1.466 1.00 0.00 N ATOM 452 CA GLU A 28 -7.045 -9.884 0.170 1.00 0.00 C ATOM 453 C GLU A 28 -5.893 -9.094 -0.451 1.00 0.00 C ATOM 454 O GLU A 28 -5.630 -9.233 -1.643 1.00 0.00 O ATOM 455 CB GLU A 28 -8.315 -9.046 0.328 1.00 0.00 C ATOM 456 CG GLU A 28 -9.525 -9.920 0.668 1.00 0.00 C ATOM 457 CD GLU A 28 -9.946 -10.807 -0.501 1.00 0.00 C ATOM 458 OE1 GLU A 28 -10.632 -10.272 -1.398 1.00 0.00 O ATOM 459 OE2 GLU A 28 -9.579 -12.002 -0.473 1.00 0.00 O ATOM 0 H GLU A 28 -7.254 -10.105 2.234 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.269 -10.702 -0.515 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.168 -8.305 1.114 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.508 -8.498 -0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.288 -10.545 1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.361 -9.283 0.957 1.00 0.00 H new ATOM 466 N VAL A 29 -5.184 -8.286 0.343 1.00 0.00 N ATOM 467 CA VAL A 29 -4.028 -7.561 -0.167 1.00 0.00 C ATOM 468 C VAL A 29 -3.025 -8.548 -0.772 1.00 0.00 C ATOM 469 O VAL A 29 -2.604 -8.366 -1.912 1.00 0.00 O ATOM 470 CB VAL A 29 -3.429 -6.621 0.907 1.00 0.00 C ATOM 471 CG1 VAL A 29 -1.974 -6.916 1.304 1.00 0.00 C ATOM 472 CG2 VAL A 29 -3.473 -5.183 0.386 1.00 0.00 C ATOM 0 H VAL A 29 -5.390 -8.122 1.328 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.337 -6.896 -0.974 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.038 -6.782 1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.651 -6.201 2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.904 -7.927 1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.333 -6.829 0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.053 -4.512 1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.891 -5.111 -0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.506 -4.901 0.184 1.00 0.00 H new ATOM 482 N ILE A 30 -2.658 -9.606 -0.041 1.00 0.00 N ATOM 483 CA ILE A 30 -1.705 -10.585 -0.548 1.00 0.00 C ATOM 484 C ILE A 30 -2.252 -11.219 -1.831 1.00 0.00 C ATOM 485 O ILE A 30 -1.534 -11.288 -2.830 1.00 0.00 O ATOM 486 CB ILE A 30 -1.286 -11.595 0.546 1.00 0.00 C ATOM 487 CG1 ILE A 30 -0.742 -10.821 1.769 1.00 0.00 C ATOM 488 CG2 ILE A 30 -0.222 -12.572 0.017 1.00 0.00 C ATOM 489 CD1 ILE A 30 0.217 -11.595 2.676 1.00 0.00 C ATOM 0 H ILE A 30 -3.007 -9.801 0.897 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.774 -10.088 -0.822 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.158 -12.180 0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.231 -9.927 1.411 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.588 -10.486 2.369 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.055 -13.271 0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.625 -13.124 -0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.659 -12.014 -0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.535 -10.956 3.500 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.289 -12.475 3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.089 -11.907 2.101 1.00 0.00 H new ATOM 501 N LYS A 31 -3.522 -11.641 -1.826 1.00 0.00 N ATOM 502 CA LYS A 31 -4.170 -12.226 -2.995 1.00 0.00 C ATOM 503 C LYS A 31 -4.039 -11.302 -4.213 1.00 0.00 C ATOM 504 O LYS A 31 -3.566 -11.734 -5.263 1.00 0.00 O ATOM 505 CB LYS A 31 -5.647 -12.525 -2.699 1.00 0.00 C ATOM 506 CG LYS A 31 -5.852 -13.599 -1.621 1.00 0.00 C ATOM 507 CD LYS A 31 -5.547 -15.006 -2.147 1.00 0.00 C ATOM 508 CE LYS A 31 -5.706 -16.062 -1.045 1.00 0.00 C ATOM 509 NZ LYS A 31 -7.039 -16.023 -0.415 1.00 0.00 N ATOM 0 H LYS A 31 -4.127 -11.584 -1.007 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.668 -13.165 -3.228 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.139 -11.605 -2.382 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.135 -12.847 -3.619 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.209 -13.384 -0.768 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.881 -13.561 -1.262 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.216 -15.239 -2.976 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.530 -15.037 -2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.536 -17.052 -1.468 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.943 -15.905 -0.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.253 -16.952 0.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.049 -15.298 0.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.755 -15.792 -1.132 1.00 0.00 H new ATOM 523 N GLU A 32 -4.457 -10.039 -4.087 1.00 0.00 N ATOM 524 CA GLU A 32 -4.403 -9.079 -5.183 1.00 0.00 C ATOM 525 C GLU A 32 -2.961 -8.842 -5.628 1.00 0.00 C ATOM 526 O GLU A 32 -2.646 -8.980 -6.809 1.00 0.00 O ATOM 527 CB GLU A 32 -5.067 -7.750 -4.791 1.00 0.00 C ATOM 528 CG GLU A 32 -6.579 -7.703 -4.980 1.00 0.00 C ATOM 529 CD GLU A 32 -7.347 -8.846 -4.317 1.00 0.00 C ATOM 530 OE1 GLU A 32 -7.349 -9.950 -4.905 1.00 0.00 O ATOM 531 OE2 GLU A 32 -7.945 -8.584 -3.251 1.00 0.00 O ATOM 0 H GLU A 32 -4.841 -9.658 -3.222 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.958 -9.502 -6.020 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.840 -7.543 -3.745 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.618 -6.950 -5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.951 -6.758 -4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.797 -7.710 -6.048 1.00 0.00 H new ATOM 538 N LEU A 33 -2.076 -8.475 -4.699 1.00 0.00 N ATOM 539 CA LEU A 33 -0.690 -8.193 -5.043 1.00 0.00 C ATOM 540 C LEU A 33 -0.070 -9.371 -5.791 1.00 0.00 C ATOM 541 O LEU A 33 0.572 -9.152 -6.817 1.00 0.00 O ATOM 542 CB LEU A 33 0.118 -7.782 -3.809 1.00 0.00 C ATOM 543 CG LEU A 33 0.030 -6.296 -3.491 1.00 0.00 C ATOM 544 CD1 LEU A 33 -1.381 -5.691 -3.565 1.00 0.00 C ATOM 545 CD2 LEU A 33 0.659 -6.008 -2.127 1.00 0.00 C ATOM 0 H LEU A 33 -2.297 -8.368 -3.709 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.667 -7.339 -5.720 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.234 -8.351 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.163 -8.051 -3.963 1.00 0.00 H new ATOM 0 HG LEU A 33 0.591 -5.803 -4.285 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.335 -4.629 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.778 -5.815 -4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.032 -6.198 -2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.589 -4.942 -1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.130 -6.569 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.707 -6.308 -2.139 1.00 0.00 H new ATOM 557 N SER A 34 -0.322 -10.606 -5.341 1.00 0.00 N ATOM 558 CA SER A 34 0.174 -11.793 -6.028 1.00 0.00 C ATOM 559 C SER A 34 -0.198 -11.793 -7.517 1.00 0.00 C ATOM 560 O SER A 34 0.584 -12.264 -8.337 1.00 0.00 O ATOM 561 CB SER A 34 -0.338 -13.069 -5.352 1.00 0.00 C ATOM 562 OG SER A 34 0.101 -13.132 -4.010 1.00 0.00 O ATOM 0 H SER A 34 -0.868 -10.804 -4.502 1.00 0.00 H new ATOM 0 HA SER A 34 1.262 -11.771 -5.959 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.427 -13.093 -5.385 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.017 -13.943 -5.898 1.00 0.00 H new ATOM 0 HG SER A 34 -0.497 -12.600 -3.445 1.00 0.00 H new ATOM 568 N LYS A 35 -1.384 -11.284 -7.877 1.00 0.00 N ATOM 569 CA LYS A 35 -1.805 -11.220 -9.272 1.00 0.00 C ATOM 570 C LYS A 35 -0.927 -10.231 -10.035 1.00 0.00 C ATOM 571 O LYS A 35 -0.469 -10.522 -11.136 1.00 0.00 O ATOM 572 CB LYS A 35 -3.277 -10.798 -9.391 1.00 0.00 C ATOM 573 CG LYS A 35 -4.205 -11.802 -8.701 1.00 0.00 C ATOM 574 CD LYS A 35 -5.655 -11.299 -8.720 1.00 0.00 C ATOM 575 CE LYS A 35 -6.576 -12.229 -7.922 1.00 0.00 C ATOM 576 NZ LYS A 35 -6.310 -12.162 -6.473 1.00 0.00 N ATOM 0 H LYS A 35 -2.066 -10.912 -7.216 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.698 -12.216 -9.702 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.411 -9.812 -8.947 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.549 -10.713 -10.443 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.143 -12.767 -9.203 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.881 -11.957 -7.672 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.699 -10.293 -8.302 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.006 -11.232 -9.750 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.615 -11.960 -8.112 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.443 -13.254 -8.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.816 -12.932 -5.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.289 -12.259 -6.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.637 -11.247 -6.102 1.00 0.00 H new ATOM 590 N THR A 36 -0.717 -9.047 -9.454 1.00 0.00 N ATOM 591 CA THR A 36 0.061 -7.996 -10.096 1.00 0.00 C ATOM 592 C THR A 36 1.523 -8.428 -10.265 1.00 0.00 C ATOM 593 O THR A 36 2.080 -8.303 -11.352 1.00 0.00 O ATOM 594 CB THR A 36 -0.115 -6.663 -9.352 1.00 0.00 C ATOM 595 OG1 THR A 36 0.414 -6.696 -8.043 1.00 0.00 O ATOM 596 CG2 THR A 36 -1.603 -6.300 -9.262 1.00 0.00 C ATOM 0 H THR A 36 -1.079 -8.796 -8.534 1.00 0.00 H new ATOM 0 HA THR A 36 -0.316 -7.828 -11.105 1.00 0.00 H new ATOM 0 HB THR A 36 0.434 -5.916 -9.925 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.301 -7.594 -7.667 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.715 -5.354 -8.733 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.016 -6.205 -10.266 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.136 -7.083 -8.723 1.00 0.00 H new ATOM 604 N SER A 37 2.136 -8.930 -9.190 1.00 0.00 N ATOM 605 CA SER A 37 3.487 -9.463 -9.175 1.00 0.00 C ATOM 606 C SER A 37 3.516 -10.611 -8.170 1.00 0.00 C ATOM 607 O SER A 37 3.229 -10.398 -6.993 1.00 0.00 O ATOM 608 CB SER A 37 4.481 -8.375 -8.774 1.00 0.00 C ATOM 609 OG SER A 37 4.619 -7.404 -9.790 1.00 0.00 O ATOM 0 H SER A 37 1.683 -8.975 -8.277 1.00 0.00 H new ATOM 0 HA SER A 37 3.770 -9.819 -10.166 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.147 -7.896 -7.854 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.451 -8.826 -8.565 1.00 0.00 H new ATOM 0 HG SER A 37 4.166 -6.579 -9.518 1.00 0.00 H new ATOM 615 N THR A 38 3.884 -11.816 -8.606 1.00 0.00 N ATOM 616 CA THR A 38 3.907 -13.007 -7.773 1.00 0.00 C ATOM 617 C THR A 38 5.091 -12.989 -6.798 1.00 0.00 C ATOM 618 O THR A 38 5.983 -13.830 -6.902 1.00 0.00 O ATOM 619 CB THR A 38 3.962 -14.229 -8.702 1.00 0.00 C ATOM 620 OG1 THR A 38 5.048 -14.066 -9.591 1.00 0.00 O ATOM 621 CG2 THR A 38 2.677 -14.386 -9.520 1.00 0.00 C ATOM 0 H THR A 38 4.179 -11.989 -9.567 1.00 0.00 H new ATOM 0 HA THR A 38 3.008 -13.047 -7.158 1.00 0.00 H new ATOM 0 HB THR A 38 4.079 -15.121 -8.086 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.887 -14.052 -9.084 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.760 -15.262 -10.163 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.829 -14.509 -8.846 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.526 -13.498 -10.134 1.00 0.00 H new ATOM 629 N TRP A 39 5.124 -12.025 -5.876 1.00 0.00 N ATOM 630 CA TRP A 39 6.140 -11.942 -4.844 1.00 0.00 C ATOM 631 C TRP A 39 5.694 -12.768 -3.633 1.00 0.00 C ATOM 632 O TRP A 39 4.501 -12.993 -3.434 1.00 0.00 O ATOM 633 CB TRP A 39 6.308 -10.490 -4.401 1.00 0.00 C ATOM 634 CG TRP A 39 6.589 -9.429 -5.415 1.00 0.00 C ATOM 635 CD1 TRP A 39 7.649 -9.387 -6.252 1.00 0.00 C ATOM 636 CD2 TRP A 39 5.883 -8.169 -5.599 1.00 0.00 C ATOM 637 NE1 TRP A 39 7.665 -8.180 -6.924 1.00 0.00 N ATOM 638 CE2 TRP A 39 6.613 -7.376 -6.533 1.00 0.00 C ATOM 639 CE3 TRP A 39 4.698 -7.611 -5.068 1.00 0.00 C ATOM 640 CZ2 TRP A 39 6.208 -6.082 -6.893 1.00 0.00 C ATOM 641 CZ3 TRP A 39 4.277 -6.323 -5.436 1.00 0.00 C ATOM 642 CH2 TRP A 39 5.047 -5.547 -6.315 1.00 0.00 C ATOM 0 H TRP A 39 4.434 -11.275 -5.831 1.00 0.00 H new ATOM 0 HA TRP A 39 7.083 -12.321 -5.239 1.00 0.00 H new ATOM 0 HB2 TRP A 39 5.397 -10.204 -3.876 1.00 0.00 H new ATOM 0 HB3 TRP A 39 7.118 -10.465 -3.672 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.374 -10.178 -6.377 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.364 -7.917 -7.619 1.00 0.00 H new ATOM 0 HE3 TRP A 39 4.107 -8.184 -4.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 6.781 -5.506 -7.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.354 -5.927 -5.039 1.00 0.00 H new ATOM 0 HH2 TRP A 39 4.746 -4.536 -6.547 1.00 0.00 H new ATOM 653 N SER A 40 6.641 -13.196 -2.798 1.00 0.00 N ATOM 654 CA SER A 40 6.340 -13.949 -1.591 1.00 0.00 C ATOM 655 C SER A 40 5.537 -13.083 -0.601 1.00 0.00 C ATOM 656 O SER A 40 5.743 -11.870 -0.565 1.00 0.00 O ATOM 657 CB SER A 40 7.670 -14.387 -0.969 1.00 0.00 C ATOM 658 OG SER A 40 8.515 -14.893 -1.986 1.00 0.00 O ATOM 0 H SER A 40 7.636 -13.028 -2.944 1.00 0.00 H new ATOM 0 HA SER A 40 5.732 -14.821 -1.831 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.147 -13.544 -0.470 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.497 -15.150 -0.210 1.00 0.00 H new ATOM 0 HG SER A 40 9.368 -15.173 -1.593 1.00 0.00 H new ATOM 664 N PRO A 41 4.663 -13.665 0.239 1.00 0.00 N ATOM 665 CA PRO A 41 3.892 -12.929 1.237 1.00 0.00 C ATOM 666 C PRO A 41 4.729 -11.953 2.075 1.00 0.00 C ATOM 667 O PRO A 41 4.292 -10.836 2.342 1.00 0.00 O ATOM 668 CB PRO A 41 3.209 -14.000 2.091 1.00 0.00 C ATOM 669 CG PRO A 41 2.964 -15.102 1.063 1.00 0.00 C ATOM 670 CD PRO A 41 4.233 -15.056 0.210 1.00 0.00 C ATOM 0 HA PRO A 41 3.168 -12.274 0.752 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.844 -14.338 2.910 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.281 -13.640 2.535 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.830 -16.075 1.536 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.070 -14.910 0.469 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.002 -15.714 0.613 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.034 -15.385 -0.810 1.00 0.00 H new ATOM 678 N LYS A 42 5.934 -12.356 2.493 1.00 0.00 N ATOM 679 CA LYS A 42 6.828 -11.486 3.250 1.00 0.00 C ATOM 680 C LYS A 42 7.232 -10.271 2.407 1.00 0.00 C ATOM 681 O LYS A 42 7.194 -9.133 2.877 1.00 0.00 O ATOM 682 CB LYS A 42 8.065 -12.271 3.706 1.00 0.00 C ATOM 683 CG LYS A 42 7.744 -13.397 4.701 1.00 0.00 C ATOM 684 CD LYS A 42 7.070 -12.958 6.014 1.00 0.00 C ATOM 685 CE LYS A 42 7.890 -11.955 6.841 1.00 0.00 C ATOM 686 NZ LYS A 42 7.659 -10.556 6.436 1.00 0.00 N ATOM 0 H LYS A 42 6.311 -13.287 2.316 1.00 0.00 H new ATOM 0 HA LYS A 42 6.304 -11.124 4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.557 -12.698 2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.774 -11.582 4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.096 -14.120 4.206 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.671 -13.915 4.946 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.102 -12.514 5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.877 -13.841 6.623 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.639 -12.069 7.895 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.950 -12.188 6.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.752 -9.935 7.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.360 -10.282 5.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.702 -10.463 6.039 1.00 0.00 H new ATOM 700 N THR A 43 7.627 -10.511 1.156 1.00 0.00 N ATOM 701 CA THR A 43 7.988 -9.470 0.209 1.00 0.00 C ATOM 702 C THR A 43 6.801 -8.521 0.039 1.00 0.00 C ATOM 703 O THR A 43 6.970 -7.304 0.046 1.00 0.00 O ATOM 704 CB THR A 43 8.390 -10.139 -1.109 1.00 0.00 C ATOM 705 OG1 THR A 43 9.270 -11.213 -0.836 1.00 0.00 O ATOM 706 CG2 THR A 43 9.043 -9.163 -2.090 1.00 0.00 C ATOM 0 H THR A 43 7.704 -11.453 0.771 1.00 0.00 H new ATOM 0 HA THR A 43 8.833 -8.880 0.563 1.00 0.00 H new ATOM 0 HB THR A 43 7.480 -10.504 -1.586 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.529 -11.646 -1.676 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.308 -9.691 -3.006 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.345 -8.359 -2.323 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.943 -8.743 -1.641 1.00 0.00 H new ATOM 714 N ILE A 44 5.592 -9.075 -0.086 1.00 0.00 N ATOM 715 CA ILE A 44 4.381 -8.274 -0.163 1.00 0.00 C ATOM 716 C ILE A 44 4.284 -7.403 1.087 1.00 0.00 C ATOM 717 O ILE A 44 4.233 -6.183 0.974 1.00 0.00 O ATOM 718 CB ILE A 44 3.149 -9.168 -0.385 1.00 0.00 C ATOM 719 CG1 ILE A 44 3.107 -9.524 -1.879 1.00 0.00 C ATOM 720 CG2 ILE A 44 1.874 -8.451 0.080 1.00 0.00 C ATOM 721 CD1 ILE A 44 2.182 -10.689 -2.235 1.00 0.00 C ATOM 0 H ILE A 44 5.432 -10.081 -0.136 1.00 0.00 H new ATOM 0 HA ILE A 44 4.418 -7.608 -1.025 1.00 0.00 H new ATOM 0 HB ILE A 44 3.213 -10.083 0.204 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.792 -8.644 -2.439 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.117 -9.767 -2.209 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.012 -9.098 -0.084 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.955 -8.217 1.142 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.748 -7.528 -0.486 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.218 -10.867 -3.310 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.507 -11.586 -1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.161 -10.446 -1.942 1.00 0.00 H new ATOM 733 N GLN A 45 4.287 -8.005 2.277 1.00 0.00 N ATOM 734 CA GLN A 45 4.201 -7.260 3.524 1.00 0.00 C ATOM 735 C GLN A 45 5.268 -6.175 3.630 1.00 0.00 C ATOM 736 O GLN A 45 5.000 -5.111 4.184 1.00 0.00 O ATOM 737 CB GLN A 45 4.218 -8.224 4.710 1.00 0.00 C ATOM 738 CG GLN A 45 2.821 -8.843 4.877 1.00 0.00 C ATOM 739 CD GLN A 45 1.762 -7.783 5.193 1.00 0.00 C ATOM 740 OE1 GLN A 45 0.759 -7.650 4.497 1.00 0.00 O ATOM 741 NE2 GLN A 45 1.993 -6.964 6.213 1.00 0.00 N ATOM 0 H GLN A 45 4.349 -9.016 2.399 1.00 0.00 H new ATOM 0 HA GLN A 45 3.250 -6.727 3.538 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.959 -9.007 4.547 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.506 -7.696 5.619 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.546 -9.370 3.964 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.845 -9.583 5.677 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.829 -7.084 6.784 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.334 -6.215 6.425 1.00 0.00 H new ATOM 750 N THR A 46 6.461 -6.422 3.089 1.00 0.00 N ATOM 751 CA THR A 46 7.500 -5.402 3.043 1.00 0.00 C ATOM 752 C THR A 46 6.954 -4.137 2.356 1.00 0.00 C ATOM 753 O THR A 46 7.211 -3.030 2.825 1.00 0.00 O ATOM 754 CB THR A 46 8.775 -5.939 2.373 1.00 0.00 C ATOM 755 OG1 THR A 46 9.164 -7.162 2.972 1.00 0.00 O ATOM 756 CG2 THR A 46 9.939 -4.956 2.525 1.00 0.00 C ATOM 0 H THR A 46 6.728 -7.317 2.679 1.00 0.00 H new ATOM 0 HA THR A 46 7.785 -5.130 4.059 1.00 0.00 H new ATOM 0 HB THR A 46 8.548 -6.080 1.316 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.499 -7.852 2.768 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.826 -5.365 2.041 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.676 -4.006 2.059 1.00 0.00 H new ATOM 0 HG23 THR A 46 10.145 -4.796 3.583 1.00 0.00 H new ATOM 764 N MET A 47 6.172 -4.279 1.277 1.00 0.00 N ATOM 765 CA MET A 47 5.572 -3.134 0.606 1.00 0.00 C ATOM 766 C MET A 47 4.674 -2.372 1.581 1.00 0.00 C ATOM 767 O MET A 47 4.897 -1.184 1.804 1.00 0.00 O ATOM 768 CB MET A 47 4.825 -3.529 -0.665 1.00 0.00 C ATOM 769 CG MET A 47 5.760 -4.170 -1.691 1.00 0.00 C ATOM 770 SD MET A 47 7.170 -3.178 -2.254 1.00 0.00 S ATOM 771 CE MET A 47 7.700 -4.186 -3.655 1.00 0.00 C ATOM 0 H MET A 47 5.944 -5.179 0.855 1.00 0.00 H new ATOM 0 HA MET A 47 6.377 -2.473 0.285 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.025 -4.226 -0.416 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.355 -2.647 -1.101 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.146 -5.096 -1.265 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.168 -4.443 -2.564 1.00 0.00 H new ATOM 0 HE1 MET A 47 8.567 -3.724 -4.128 1.00 0.00 H new ATOM 0 HE2 MET A 47 7.966 -5.184 -3.305 1.00 0.00 H new ATOM 0 HE3 MET A 47 6.888 -4.260 -4.378 1.00 0.00 H new ATOM 781 N LEU A 48 3.674 -3.031 2.187 1.00 0.00 N ATOM 782 CA LEU A 48 2.809 -2.392 3.150 1.00 0.00 C ATOM 783 C LEU A 48 3.625 -1.695 4.245 1.00 0.00 C ATOM 784 O LEU A 48 3.340 -0.552 4.594 1.00 0.00 O ATOM 785 CB LEU A 48 1.917 -3.481 3.728 1.00 0.00 C ATOM 786 CG LEU A 48 0.911 -4.078 2.742 1.00 0.00 C ATOM 787 CD1 LEU A 48 -0.156 -3.075 2.291 1.00 0.00 C ATOM 788 CD2 LEU A 48 1.406 -4.913 1.580 1.00 0.00 C ATOM 0 H LEU A 48 3.456 -4.012 2.015 1.00 0.00 H new ATOM 0 HA LEU A 48 2.207 -1.615 2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.548 -4.283 4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.372 -3.071 4.578 1.00 0.00 H new ATOM 0 HG LEU A 48 0.467 -4.838 3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.839 -3.559 1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.714 -2.722 3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.325 -2.229 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.556 -5.252 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.067 -4.312 0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.952 -5.777 1.959 1.00 0.00 H new ATOM 800 N LEU A 49 4.650 -2.369 4.771 1.00 0.00 N ATOM 801 CA LEU A 49 5.534 -1.816 5.787 1.00 0.00 C ATOM 802 C LEU A 49 6.139 -0.497 5.290 1.00 0.00 C ATOM 803 O LEU A 49 6.047 0.517 5.980 1.00 0.00 O ATOM 804 CB LEU A 49 6.569 -2.885 6.180 1.00 0.00 C ATOM 805 CG LEU A 49 7.568 -2.531 7.296 1.00 0.00 C ATOM 806 CD1 LEU A 49 8.744 -1.690 6.788 1.00 0.00 C ATOM 807 CD2 LEU A 49 6.900 -1.872 8.507 1.00 0.00 C ATOM 0 H LEU A 49 4.888 -3.323 4.498 1.00 0.00 H new ATOM 0 HA LEU A 49 4.989 -1.562 6.696 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.028 -3.781 6.485 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.139 -3.145 5.288 1.00 0.00 H new ATOM 0 HG LEU A 49 7.973 -3.485 7.635 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.418 -1.469 7.616 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.283 -2.245 6.020 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.369 -0.757 6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.655 -1.646 9.260 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.410 -0.949 8.195 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.159 -2.551 8.928 1.00 0.00 H new ATOM 819 N ARG A 50 6.738 -0.484 4.093 1.00 0.00 N ATOM 820 CA ARG A 50 7.293 0.732 3.509 1.00 0.00 C ATOM 821 C ARG A 50 6.240 1.837 3.432 1.00 0.00 C ATOM 822 O ARG A 50 6.478 2.973 3.843 1.00 0.00 O ATOM 823 CB ARG A 50 7.820 0.448 2.103 1.00 0.00 C ATOM 824 CG ARG A 50 9.113 -0.357 2.144 1.00 0.00 C ATOM 825 CD ARG A 50 9.786 -0.229 0.780 1.00 0.00 C ATOM 826 NE ARG A 50 11.030 -1.000 0.699 1.00 0.00 N ATOM 827 CZ ARG A 50 11.819 -1.010 -0.385 1.00 0.00 C ATOM 828 NH1 ARG A 50 11.491 -0.291 -1.466 1.00 0.00 N ATOM 829 NH2 ARG A 50 12.938 -1.741 -0.378 1.00 0.00 N ATOM 0 H ARG A 50 6.849 -1.313 3.509 1.00 0.00 H new ATOM 0 HA ARG A 50 8.109 1.066 4.151 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.068 -0.099 1.535 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.992 1.389 1.581 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.770 0.015 2.930 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.905 -1.403 2.371 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.099 -0.569 0.005 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.998 0.821 0.579 1.00 0.00 H new ATOM 0 HE ARG A 50 11.309 -1.556 1.507 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.638 0.268 -1.467 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.095 -0.302 -2.288 1.00 0.00 H new ATOM 0 HH21 ARG A 50 13.186 -2.286 0.448 1.00 0.00 H new ATOM 0 HH22 ARG A 50 13.544 -1.754 -1.199 1.00 0.00 H new ATOM 843 N LEU A 51 5.088 1.498 2.858 1.00 0.00 N ATOM 844 CA LEU A 51 3.971 2.427 2.711 1.00 0.00 C ATOM 845 C LEU A 51 3.600 3.044 4.066 1.00 0.00 C ATOM 846 O LEU A 51 3.407 4.257 4.163 1.00 0.00 O ATOM 847 CB LEU A 51 2.767 1.740 2.048 1.00 0.00 C ATOM 848 CG LEU A 51 3.019 1.293 0.596 1.00 0.00 C ATOM 849 CD1 LEU A 51 1.785 0.572 0.047 1.00 0.00 C ATOM 850 CD2 LEU A 51 3.341 2.470 -0.325 1.00 0.00 C ATOM 0 H LEU A 51 4.903 0.569 2.481 1.00 0.00 H new ATOM 0 HA LEU A 51 4.281 3.239 2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.487 0.870 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.918 2.423 2.064 1.00 0.00 H new ATOM 0 HG LEU A 51 3.880 0.625 0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.973 0.260 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.573 -0.304 0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.929 1.247 0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.511 2.104 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.505 3.169 -0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.237 2.977 0.032 1.00 0.00 H new ATOM 862 N ILE A 52 3.500 2.224 5.114 1.00 0.00 N ATOM 863 CA ILE A 52 3.213 2.700 6.458 1.00 0.00 C ATOM 864 C ILE A 52 4.338 3.625 6.930 1.00 0.00 C ATOM 865 O ILE A 52 4.062 4.737 7.374 1.00 0.00 O ATOM 866 CB ILE A 52 2.972 1.509 7.403 1.00 0.00 C ATOM 867 CG1 ILE A 52 1.660 0.813 6.998 1.00 0.00 C ATOM 868 CG2 ILE A 52 2.883 1.978 8.866 1.00 0.00 C ATOM 869 CD1 ILE A 52 1.536 -0.594 7.584 1.00 0.00 C ATOM 0 H ILE A 52 3.617 1.213 5.049 1.00 0.00 H new ATOM 0 HA ILE A 52 2.295 3.288 6.460 1.00 0.00 H new ATOM 0 HB ILE A 52 3.808 0.814 7.321 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.815 1.417 7.330 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.604 0.756 5.911 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.712 1.118 9.514 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.816 2.466 9.149 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.058 2.682 8.973 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.593 -1.038 7.267 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.364 -1.209 7.231 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.563 -0.539 8.672 1.00 0.00 H new ATOM 881 N LYS A 53 5.603 3.197 6.827 1.00 0.00 N ATOM 882 CA LYS A 53 6.733 4.016 7.258 1.00 0.00 C ATOM 883 C LYS A 53 6.723 5.395 6.595 1.00 0.00 C ATOM 884 O LYS A 53 6.962 6.393 7.269 1.00 0.00 O ATOM 885 CB LYS A 53 8.071 3.305 7.018 1.00 0.00 C ATOM 886 CG LYS A 53 8.284 2.165 8.022 1.00 0.00 C ATOM 887 CD LYS A 53 9.666 1.513 7.879 1.00 0.00 C ATOM 888 CE LYS A 53 10.808 2.437 8.323 1.00 0.00 C ATOM 889 NZ LYS A 53 12.099 1.727 8.325 1.00 0.00 N ATOM 0 H LYS A 53 5.865 2.287 6.448 1.00 0.00 H new ATOM 0 HA LYS A 53 6.621 4.165 8.332 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.098 2.908 6.003 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.887 4.023 7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.170 2.550 9.035 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.512 1.409 7.879 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.694 0.598 8.471 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.821 1.225 6.839 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.864 3.297 7.655 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.600 2.822 9.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.852 2.377 8.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.051 0.921 8.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.307 1.381 7.366 1.00 0.00 H new ATOM 903 N LYS A 54 6.442 5.468 5.290 1.00 0.00 N ATOM 904 CA LYS A 54 6.386 6.747 4.588 1.00 0.00 C ATOM 905 C LYS A 54 5.101 7.535 4.893 1.00 0.00 C ATOM 906 O LYS A 54 4.925 8.643 4.377 1.00 0.00 O ATOM 907 CB LYS A 54 6.571 6.531 3.080 1.00 0.00 C ATOM 908 CG LYS A 54 7.965 5.964 2.774 1.00 0.00 C ATOM 909 CD LYS A 54 8.304 6.028 1.277 1.00 0.00 C ATOM 910 CE LYS A 54 7.300 5.284 0.389 1.00 0.00 C ATOM 911 NZ LYS A 54 7.146 3.876 0.793 1.00 0.00 N ATOM 0 H LYS A 54 6.251 4.656 4.703 1.00 0.00 H new ATOM 0 HA LYS A 54 7.208 7.360 4.957 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.807 5.847 2.710 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.435 7.476 2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.713 6.521 3.338 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.016 4.929 3.112 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.347 7.072 0.967 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.297 5.608 1.119 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.332 5.783 0.438 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.630 5.330 -0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.511 3.391 0.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.075 3.410 0.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.742 3.832 1.750 1.00 0.00 H new ATOM 925 N GLY A 55 4.205 7.010 5.735 1.00 0.00 N ATOM 926 CA GLY A 55 2.958 7.671 6.088 1.00 0.00 C ATOM 927 C GLY A 55 2.008 7.729 4.894 1.00 0.00 C ATOM 928 O GLY A 55 1.227 8.669 4.772 1.00 0.00 O ATOM 0 H GLY A 55 4.332 6.107 6.191 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.481 7.138 6.910 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.166 8.681 6.441 1.00 0.00 H new ATOM 932 N ALA A 56 2.101 6.747 3.993 1.00 0.00 N ATOM 933 CA ALA A 56 1.259 6.675 2.812 1.00 0.00 C ATOM 934 C ALA A 56 -0.060 5.981 3.153 1.00 0.00 C ATOM 935 O ALA A 56 -1.130 6.408 2.722 1.00 0.00 O ATOM 936 CB ALA A 56 1.994 5.919 1.701 1.00 0.00 C ATOM 0 H ALA A 56 2.768 5.979 4.069 1.00 0.00 H new ATOM 0 HA ALA A 56 1.038 7.684 2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.360 5.866 0.816 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.918 6.442 1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.228 4.910 2.041 1.00 0.00 H new ATOM 942 N LEU A 57 0.017 4.889 3.915 1.00 0.00 N ATOM 943 CA LEU A 57 -1.131 4.089 4.316 1.00 0.00 C ATOM 944 C LEU A 57 -1.191 3.998 5.839 1.00 0.00 C ATOM 945 O LEU A 57 -0.158 3.931 6.501 1.00 0.00 O ATOM 946 CB LEU A 57 -1.007 2.681 3.722 1.00 0.00 C ATOM 947 CG LEU A 57 -1.625 2.508 2.325 1.00 0.00 C ATOM 948 CD1 LEU A 57 -1.091 3.456 1.241 1.00 0.00 C ATOM 949 CD2 LEU A 57 -1.362 1.065 1.900 1.00 0.00 C ATOM 0 H LEU A 57 0.901 4.532 4.276 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.043 4.559 3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.049 2.416 3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.480 1.973 4.402 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.683 2.755 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.594 3.248 0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.282 4.488 1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.018 3.305 1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.785 0.895 0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.287 0.884 1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.826 0.385 2.614 1.00 0.00 H new ATOM 961 N ASN A 58 -2.411 3.979 6.373 1.00 0.00 N ATOM 962 CA ASN A 58 -2.738 3.800 7.779 1.00 0.00 C ATOM 963 C ASN A 58 -3.344 2.401 7.911 1.00 0.00 C ATOM 964 O ASN A 58 -4.040 1.969 6.992 1.00 0.00 O ATOM 965 CB ASN A 58 -3.752 4.878 8.174 1.00 0.00 C ATOM 966 CG ASN A 58 -4.446 4.538 9.487 1.00 0.00 C ATOM 967 OD1 ASN A 58 -3.887 4.737 10.559 1.00 0.00 O ATOM 968 ND2 ASN A 58 -5.661 4.000 9.416 1.00 0.00 N ATOM 0 H ASN A 58 -3.245 4.096 5.797 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.868 3.891 8.429 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.245 5.839 8.267 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.496 4.985 7.385 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.154 3.740 10.270 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -6.099 3.847 8.508 1.00 0.00 H new ATOM 975 N HIS A 59 -3.101 1.684 9.011 1.00 0.00 N ATOM 976 CA HIS A 59 -3.608 0.330 9.206 1.00 0.00 C ATOM 977 C HIS A 59 -4.236 0.129 10.580 1.00 0.00 C ATOM 978 O HIS A 59 -3.988 0.892 11.512 1.00 0.00 O ATOM 979 CB HIS A 59 -2.515 -0.709 8.936 1.00 0.00 C ATOM 980 CG HIS A 59 -1.345 -0.681 9.886 1.00 0.00 C ATOM 981 ND1 HIS A 59 -0.889 0.503 10.467 1.00 0.00 N ATOM 982 CD2 HIS A 59 -0.539 -1.711 10.294 1.00 0.00 C ATOM 983 CE1 HIS A 59 0.148 0.137 11.223 1.00 0.00 C ATOM 984 NE2 HIS A 59 0.398 -1.181 11.156 1.00 0.00 N ATOM 0 H HIS A 59 -2.545 2.031 9.792 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.406 0.185 8.478 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -2.965 -1.701 8.970 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.141 -0.563 7.922 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.622 -2.746 9.996 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.724 0.826 11.823 1.00 0.00 H new ATOM 0 HE2 HIS A 59 1.135 -1.689 11.646 1.00 0.00 H new ATOM 992 N HIS A 60 -5.080 -0.900 10.676 1.00 0.00 N ATOM 993 CA HIS A 60 -5.820 -1.273 11.879 1.00 0.00 C ATOM 994 C HIS A 60 -5.909 -2.798 11.978 1.00 0.00 C ATOM 995 O HIS A 60 -6.031 -3.458 10.953 1.00 0.00 O ATOM 996 CB HIS A 60 -7.205 -0.636 11.828 1.00 0.00 C ATOM 997 CG HIS A 60 -8.235 -1.311 12.696 1.00 0.00 C ATOM 998 ND1 HIS A 60 -8.039 -1.482 14.065 1.00 0.00 N ATOM 999 CD2 HIS A 60 -9.414 -1.906 12.336 1.00 0.00 C ATOM 1000 CE1 HIS A 60 -9.117 -2.157 14.480 1.00 0.00 C ATOM 1001 NE2 HIS A 60 -9.970 -2.437 13.481 1.00 0.00 N ATOM 0 H HIS A 60 -5.273 -1.518 9.888 1.00 0.00 H new ATOM 0 HA HIS A 60 -5.304 -0.910 12.768 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.122 0.408 12.129 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -7.557 -0.643 10.796 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.831 -1.951 11.341 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -9.283 -2.446 15.507 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -10.853 -2.942 13.555 1.00 0.00 H new ATOM 1009 N LYS A 61 -5.851 -3.370 13.185 1.00 0.00 N ATOM 1010 CA LYS A 61 -5.983 -4.809 13.397 1.00 0.00 C ATOM 1011 C LYS A 61 -7.473 -5.140 13.475 1.00 0.00 C ATOM 1012 O LYS A 61 -8.083 -5.006 14.537 1.00 0.00 O ATOM 1013 CB LYS A 61 -5.221 -5.231 14.665 1.00 0.00 C ATOM 1014 CG LYS A 61 -5.491 -6.678 15.125 1.00 0.00 C ATOM 1015 CD LYS A 61 -5.348 -7.757 14.039 1.00 0.00 C ATOM 1016 CE LYS A 61 -3.894 -7.947 13.600 1.00 0.00 C ATOM 1017 NZ LYS A 61 -3.804 -8.910 12.490 1.00 0.00 N ATOM 0 H LYS A 61 -5.710 -2.841 14.046 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.543 -5.368 12.571 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.152 -5.114 14.486 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.485 -4.551 15.475 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.807 -6.915 15.940 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.501 -6.729 15.532 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.739 -8.703 14.415 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.954 -7.483 13.175 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.475 -6.989 13.291 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.298 -8.299 14.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.884 -9.393 12.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.567 -9.612 12.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.898 -8.406 11.585 1.00 0.00 H new ATOM 1031 N GLU A 62 -8.075 -5.608 12.378 1.00 0.00 N ATOM 1032 CA GLU A 62 -9.494 -5.917 12.391 1.00 0.00 C ATOM 1033 C GLU A 62 -9.668 -7.348 12.896 1.00 0.00 C ATOM 1034 O GLU A 62 -9.952 -8.278 12.140 1.00 0.00 O ATOM 1035 CB GLU A 62 -10.077 -5.690 10.990 1.00 0.00 C ATOM 1036 CG GLU A 62 -11.606 -5.558 11.003 1.00 0.00 C ATOM 1037 CD GLU A 62 -12.050 -4.189 11.515 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -12.181 -4.049 12.752 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -12.215 -3.292 10.661 1.00 0.00 O ATOM 0 H GLU A 62 -7.606 -5.776 11.488 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.045 -5.261 13.065 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.641 -4.788 10.561 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.793 -6.520 10.343 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.993 -5.713 9.996 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.033 -6.338 11.633 1.00 0.00 H new ATOM 1046 N GLY A 63 -9.540 -7.495 14.216 1.00 0.00 N ATOM 1047 CA GLY A 63 -9.698 -8.750 14.931 1.00 0.00 C ATOM 1048 C GLY A 63 -8.647 -9.793 14.544 1.00 0.00 C ATOM 1049 O GLY A 63 -7.736 -10.067 15.320 1.00 0.00 O ATOM 0 H GLY A 63 -9.316 -6.713 14.832 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.638 -8.562 16.003 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.692 -9.152 14.733 1.00 0.00 H new ATOM 1053 N ARG A 64 -8.787 -10.382 13.354 1.00 0.00 N ATOM 1054 CA ARG A 64 -7.923 -11.440 12.849 1.00 0.00 C ATOM 1055 C ARG A 64 -6.887 -10.896 11.867 1.00 0.00 C ATOM 1056 O ARG A 64 -5.688 -11.060 12.083 1.00 0.00 O ATOM 1057 CB ARG A 64 -8.786 -12.539 12.218 1.00 0.00 C ATOM 1058 CG ARG A 64 -7.924 -13.739 11.805 1.00 0.00 C ATOM 1059 CD ARG A 64 -8.822 -14.926 11.461 1.00 0.00 C ATOM 1060 NE ARG A 64 -8.022 -16.085 11.044 1.00 0.00 N ATOM 1061 CZ ARG A 64 -8.531 -17.277 10.702 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -9.853 -17.477 10.724 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -7.709 -18.265 10.338 1.00 0.00 N ATOM 0 H ARG A 64 -9.527 -10.125 12.700 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.362 -11.869 13.679 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.549 -12.860 12.927 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.307 -12.143 11.347 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.307 -13.477 10.946 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.245 -14.007 12.615 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.429 -15.191 12.327 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.510 -14.647 10.662 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.008 -15.975 11.012 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.479 -16.721 11.002 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.236 -18.386 10.463 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.701 -18.110 10.322 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.089 -19.175 10.077 1.00 0.00 H new ATOM 1077 N VAL A 65 -7.340 -10.256 10.785 1.00 0.00 N ATOM 1078 CA VAL A 65 -6.479 -9.725 9.740 1.00 0.00 C ATOM 1079 C VAL A 65 -6.397 -8.214 9.927 1.00 0.00 C ATOM 1080 O VAL A 65 -7.288 -7.614 10.530 1.00 0.00 O ATOM 1081 CB VAL A 65 -7.030 -10.115 8.355 1.00 0.00 C ATOM 1082 CG1 VAL A 65 -6.754 -11.596 8.070 1.00 0.00 C ATOM 1083 CG2 VAL A 65 -8.540 -9.856 8.216 1.00 0.00 C ATOM 0 H VAL A 65 -8.332 -10.093 10.614 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.474 -10.143 9.805 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.515 -9.483 7.632 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.149 -11.857 7.088 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.679 -11.776 8.088 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.238 -12.209 8.830 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.869 -10.150 7.220 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.079 -10.438 8.963 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.743 -8.796 8.367 1.00 0.00 H new ATOM 1093 N PHE A 66 -5.314 -7.593 9.456 1.00 0.00 N ATOM 1094 CA PHE A 66 -5.162 -6.155 9.581 1.00 0.00 C ATOM 1095 C PHE A 66 -5.604 -5.487 8.287 1.00 0.00 C ATOM 1096 O PHE A 66 -5.265 -5.932 7.189 1.00 0.00 O ATOM 1097 CB PHE A 66 -3.780 -5.735 10.085 1.00 0.00 C ATOM 1098 CG PHE A 66 -2.552 -6.242 9.356 1.00 0.00 C ATOM 1099 CD1 PHE A 66 -2.121 -7.566 9.571 1.00 0.00 C ATOM 1100 CD2 PHE A 66 -1.653 -5.304 8.816 1.00 0.00 C ATOM 1101 CE1 PHE A 66 -0.795 -7.935 9.295 1.00 0.00 C ATOM 1102 CE2 PHE A 66 -0.310 -5.657 8.602 1.00 0.00 C ATOM 1103 CZ PHE A 66 0.121 -6.970 8.850 1.00 0.00 C ATOM 0 H PHE A 66 -4.539 -8.064 8.989 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.822 -5.795 10.370 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.743 -4.646 10.076 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.699 -6.049 11.126 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.815 -8.301 9.950 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.996 -4.311 8.566 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.481 -8.960 9.425 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.392 -4.917 8.246 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.156 -7.237 8.698 1.00 0.00 H new ATOM 1113 N VAL A 67 -6.429 -4.458 8.448 1.00 0.00 N ATOM 1114 CA VAL A 67 -7.045 -3.688 7.396 1.00 0.00 C ATOM 1115 C VAL A 67 -6.160 -2.487 7.077 1.00 0.00 C ATOM 1116 O VAL A 67 -5.619 -1.866 7.993 1.00 0.00 O ATOM 1117 CB VAL A 67 -8.472 -3.329 7.843 1.00 0.00 C ATOM 1118 CG1 VAL A 67 -9.139 -2.317 6.915 1.00 0.00 C ATOM 1119 CG2 VAL A 67 -9.335 -4.599 7.838 1.00 0.00 C ATOM 0 H VAL A 67 -6.695 -4.127 9.375 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.136 -4.247 6.465 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.394 -2.890 8.838 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.144 -2.099 7.277 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.553 -1.398 6.897 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.197 -2.730 5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.348 -4.352 8.154 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.361 -5.017 6.832 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.909 -5.331 8.525 1.00 0.00 H new ATOM 1129 N TYR A 68 -6.000 -2.193 5.781 1.00 0.00 N ATOM 1130 CA TYR A 68 -5.187 -1.101 5.263 1.00 0.00 C ATOM 1131 C TYR A 68 -6.083 -0.004 4.691 1.00 0.00 C ATOM 1132 O TYR A 68 -7.071 -0.290 4.010 1.00 0.00 O ATOM 1133 CB TYR A 68 -4.247 -1.627 4.175 1.00 0.00 C ATOM 1134 CG TYR A 68 -3.238 -2.648 4.659 1.00 0.00 C ATOM 1135 CD1 TYR A 68 -2.189 -2.246 5.505 1.00 0.00 C ATOM 1136 CD2 TYR A 68 -3.290 -3.974 4.196 1.00 0.00 C ATOM 1137 CE1 TYR A 68 -1.214 -3.173 5.911 1.00 0.00 C ATOM 1138 CE2 TYR A 68 -2.261 -4.871 4.528 1.00 0.00 C ATOM 1139 CZ TYR A 68 -1.232 -4.478 5.399 1.00 0.00 C ATOM 1140 OH TYR A 68 -0.184 -5.315 5.651 1.00 0.00 O ATOM 0 H TYR A 68 -6.452 -2.732 5.043 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.595 -0.683 6.077 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.845 -2.074 3.380 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.712 -0.785 3.736 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -2.133 -1.222 5.844 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.119 -4.303 3.587 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.451 -2.880 6.617 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.261 -5.867 4.111 1.00 0.00 H new ATOM 0 HH TYR A 68 -0.198 -6.058 5.012 1.00 0.00 H new ATOM 1150 N THR A 69 -5.722 1.257 4.945 1.00 0.00 N ATOM 1151 CA THR A 69 -6.474 2.423 4.513 1.00 0.00 C ATOM 1152 C THR A 69 -5.549 3.497 3.909 1.00 0.00 C ATOM 1153 O THR A 69 -4.559 3.875 4.536 1.00 0.00 O ATOM 1154 CB THR A 69 -7.280 2.996 5.687 1.00 0.00 C ATOM 1155 OG1 THR A 69 -6.457 3.272 6.804 1.00 0.00 O ATOM 1156 CG2 THR A 69 -8.389 2.042 6.141 1.00 0.00 C ATOM 0 H THR A 69 -4.879 1.493 5.469 1.00 0.00 H new ATOM 0 HA THR A 69 -7.166 2.110 3.731 1.00 0.00 H new ATOM 0 HB THR A 69 -7.722 3.921 5.316 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.614 2.779 6.719 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.934 2.487 6.973 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.075 1.861 5.313 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.948 1.097 6.460 1.00 0.00 H new ATOM 1164 N PRO A 70 -5.841 3.972 2.688 1.00 0.00 N ATOM 1165 CA PRO A 70 -5.134 5.049 2.014 1.00 0.00 C ATOM 1166 C PRO A 70 -5.060 6.314 2.877 1.00 0.00 C ATOM 1167 O PRO A 70 -6.092 6.913 3.169 1.00 0.00 O ATOM 1168 CB PRO A 70 -5.946 5.307 0.731 1.00 0.00 C ATOM 1169 CG PRO A 70 -6.544 3.939 0.404 1.00 0.00 C ATOM 1170 CD PRO A 70 -6.797 3.359 1.789 1.00 0.00 C ATOM 0 HA PRO A 70 -4.099 4.779 1.807 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.722 6.056 0.891 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.313 5.672 -0.078 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.463 4.025 -0.176 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.857 3.323 -0.176 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.817 3.565 2.113 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.678 2.276 1.781 1.00 0.00 H new ATOM 1178 N ASN A 71 -3.859 6.738 3.289 1.00 0.00 N ATOM 1179 CA ASN A 71 -3.692 7.997 4.018 1.00 0.00 C ATOM 1180 C ASN A 71 -3.695 9.159 3.024 1.00 0.00 C ATOM 1181 O ASN A 71 -4.045 10.286 3.368 1.00 0.00 O ATOM 1182 CB ASN A 71 -2.381 8.002 4.802 1.00 0.00 C ATOM 1183 CG ASN A 71 -2.464 8.850 6.067 1.00 0.00 C ATOM 1184 OD1 ASN A 71 -2.100 8.393 7.145 1.00 0.00 O ATOM 1185 ND2 ASN A 71 -2.952 10.084 5.963 1.00 0.00 N ATOM 0 H ASN A 71 -2.991 6.227 3.129 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.516 8.104 4.723 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.117 6.979 5.070 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.581 8.381 4.165 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.030 10.673 6.792 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.248 10.441 5.054 1.00 0.00 H new ATOM 1192 N ILE A 72 -3.251 8.852 1.805 1.00 0.00 N ATOM 1193 CA ILE A 72 -3.157 9.713 0.639 1.00 0.00 C ATOM 1194 C ILE A 72 -4.164 9.260 -0.425 1.00 0.00 C ATOM 1195 O ILE A 72 -4.356 8.068 -0.668 1.00 0.00 O ATOM 1196 CB ILE A 72 -1.728 9.695 0.056 1.00 0.00 C ATOM 1197 CG1 ILE A 72 -0.943 8.380 0.222 1.00 0.00 C ATOM 1198 CG2 ILE A 72 -0.869 10.777 0.724 1.00 0.00 C ATOM 1199 CD1 ILE A 72 -1.616 7.074 -0.215 1.00 0.00 C ATOM 0 H ILE A 72 -2.920 7.910 1.596 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.389 10.733 0.944 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.894 9.853 -1.010 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.011 8.476 -0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.677 8.282 1.275 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.137 10.754 0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.314 11.756 0.546 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.819 10.591 1.797 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.939 6.238 -0.036 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.532 6.928 0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.855 7.126 -1.277 1.00 0.00 H new ATOM 1211 N ASP A 73 -4.806 10.235 -1.066 1.00 0.00 N ATOM 1212 CA ASP A 73 -5.788 10.073 -2.123 1.00 0.00 C ATOM 1213 C ASP A 73 -5.742 11.359 -2.947 1.00 0.00 C ATOM 1214 O ASP A 73 -5.168 12.344 -2.479 1.00 0.00 O ATOM 1215 CB ASP A 73 -7.166 9.851 -1.493 1.00 0.00 C ATOM 1216 CG ASP A 73 -8.261 9.560 -2.517 1.00 0.00 C ATOM 1217 OD1 ASP A 73 -7.906 9.094 -3.623 1.00 0.00 O ATOM 1218 OD2 ASP A 73 -9.434 9.821 -2.176 1.00 0.00 O ATOM 0 H ASP A 73 -4.640 11.217 -0.844 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.582 9.214 -2.761 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -7.106 9.020 -0.790 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.442 10.736 -0.919 1.00 0.00 H new ATOM 1223 N GLU A 74 -6.345 11.361 -4.140 1.00 0.00 N ATOM 1224 CA GLU A 74 -6.357 12.463 -5.096 1.00 0.00 C ATOM 1225 C GLU A 74 -4.928 12.773 -5.555 1.00 0.00 C ATOM 1226 O GLU A 74 -4.546 12.427 -6.672 1.00 0.00 O ATOM 1227 CB GLU A 74 -7.119 13.669 -4.528 1.00 0.00 C ATOM 1228 CG GLU A 74 -8.504 13.251 -4.007 1.00 0.00 C ATOM 1229 CD GLU A 74 -9.380 12.646 -5.100 1.00 0.00 C ATOM 1230 OE1 GLU A 74 -9.945 13.444 -5.878 1.00 0.00 O ATOM 1231 OE2 GLU A 74 -9.454 11.399 -5.146 1.00 0.00 O ATOM 0 H GLU A 74 -6.863 10.550 -4.478 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.906 12.176 -5.993 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.543 14.119 -3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.232 14.429 -5.301 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.382 12.527 -3.201 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.007 14.120 -3.582 1.00 0.00 H new ATOM 1238 N SER A 75 -4.110 13.377 -4.690 1.00 0.00 N ATOM 1239 CA SER A 75 -2.686 13.574 -4.929 1.00 0.00 C ATOM 1240 C SER A 75 -1.996 12.240 -4.628 1.00 0.00 C ATOM 1241 O SER A 75 -1.166 12.150 -3.727 1.00 0.00 O ATOM 1242 CB SER A 75 -2.168 14.700 -4.029 1.00 0.00 C ATOM 1243 OG SER A 75 -2.857 15.897 -4.331 1.00 0.00 O ATOM 0 H SER A 75 -4.426 13.746 -3.793 1.00 0.00 H new ATOM 0 HA SER A 75 -2.481 13.868 -5.958 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.313 14.439 -2.981 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.097 14.836 -4.178 1.00 0.00 H new ATOM 0 HG SER A 75 -2.528 16.618 -3.755 1.00 0.00 H new ATOM 1249 N ASP A 76 -2.381 11.209 -5.383 1.00 0.00 N ATOM 1250 CA ASP A 76 -1.950 9.828 -5.233 1.00 0.00 C ATOM 1251 C ASP A 76 -0.432 9.713 -5.127 1.00 0.00 C ATOM 1252 O ASP A 76 0.080 9.165 -4.153 1.00 0.00 O ATOM 1253 CB ASP A 76 -2.497 9.003 -6.410 1.00 0.00 C ATOM 1254 CG ASP A 76 -3.952 8.571 -6.222 1.00 0.00 C ATOM 1255 OD1 ASP A 76 -4.649 9.202 -5.396 1.00 0.00 O ATOM 1256 OD2 ASP A 76 -4.346 7.614 -6.921 1.00 0.00 O ATOM 0 H ASP A 76 -3.037 11.327 -6.155 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.351 9.433 -4.299 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.415 9.590 -7.325 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.876 8.117 -6.543 1.00 0.00 H new ATOM 1261 N TYR A 77 0.288 10.210 -6.135 1.00 0.00 N ATOM 1262 CA TYR A 77 1.738 10.136 -6.154 1.00 0.00 C ATOM 1263 C TYR A 77 2.328 11.118 -7.161 1.00 0.00 C ATOM 1264 O TYR A 77 2.094 10.997 -8.361 1.00 0.00 O ATOM 1265 CB TYR A 77 2.182 8.705 -6.492 1.00 0.00 C ATOM 1266 CG TYR A 77 3.629 8.577 -6.938 1.00 0.00 C ATOM 1267 CD1 TYR A 77 4.675 9.044 -6.119 1.00 0.00 C ATOM 1268 CD2 TYR A 77 3.925 8.035 -8.202 1.00 0.00 C ATOM 1269 CE1 TYR A 77 6.013 8.856 -6.512 1.00 0.00 C ATOM 1270 CE2 TYR A 77 5.261 7.865 -8.601 1.00 0.00 C ATOM 1271 CZ TYR A 77 6.303 8.232 -7.738 1.00 0.00 C ATOM 1272 OH TYR A 77 7.589 7.957 -8.090 1.00 0.00 O ATOM 0 H TYR A 77 -0.119 10.669 -6.950 1.00 0.00 H new ATOM 0 HA TYR A 77 2.106 10.406 -5.164 1.00 0.00 H new ATOM 0 HB2 TYR A 77 2.029 8.075 -5.615 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.537 8.316 -7.280 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.450 9.546 -5.190 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.123 7.749 -8.867 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.816 9.191 -5.872 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.486 7.451 -9.573 1.00 0.00 H new ATOM 0 HH TYR A 77 8.083 7.641 -7.305 1.00 0.00 H new ATOM 1282 N ILE A 78 3.083 12.091 -6.653 1.00 0.00 N ATOM 1283 CA ILE A 78 3.933 12.984 -7.418 1.00 0.00 C ATOM 1284 C ILE A 78 5.303 12.763 -6.777 1.00 0.00 C ATOM 1285 O ILE A 78 5.397 12.785 -5.549 1.00 0.00 O ATOM 1286 CB ILE A 78 3.447 14.442 -7.317 1.00 0.00 C ATOM 1287 CG1 ILE A 78 2.010 14.633 -7.836 1.00 0.00 C ATOM 1288 CG2 ILE A 78 4.412 15.383 -8.051 1.00 0.00 C ATOM 1289 CD1 ILE A 78 1.858 14.429 -9.347 1.00 0.00 C ATOM 0 H ILE A 78 3.116 12.282 -5.652 1.00 0.00 H new ATOM 0 HA ILE A 78 3.938 12.786 -8.490 1.00 0.00 H new ATOM 0 HB ILE A 78 3.434 14.694 -6.257 1.00 0.00 H new ATOM 0 HG12 ILE A 78 1.352 13.935 -7.318 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.673 15.638 -7.580 1.00 0.00 H new ATOM 0 HG21 ILE A 78 4.053 16.409 -7.969 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.403 15.309 -7.604 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.466 15.101 -9.102 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.817 14.581 -9.632 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.487 15.145 -9.876 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.161 13.416 -9.610 1.00 0.00 H new ATOM 1301 N GLU A 79 6.349 12.485 -7.559 1.00 0.00 N ATOM 1302 CA GLU A 79 7.649 12.204 -6.969 1.00 0.00 C ATOM 1303 C GLU A 79 8.285 13.503 -6.469 1.00 0.00 C ATOM 1304 O GLU A 79 8.897 14.238 -7.243 1.00 0.00 O ATOM 1305 CB GLU A 79 8.535 11.474 -7.992 1.00 0.00 C ATOM 1306 CG GLU A 79 9.881 11.023 -7.401 1.00 0.00 C ATOM 1307 CD GLU A 79 9.715 10.085 -6.208 1.00 0.00 C ATOM 1308 OE1 GLU A 79 9.574 8.868 -6.454 1.00 0.00 O ATOM 1309 OE2 GLU A 79 9.715 10.606 -5.073 1.00 0.00 O ATOM 0 H GLU A 79 6.319 12.450 -8.578 1.00 0.00 H new ATOM 0 HA GLU A 79 7.535 11.547 -6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 79 8.001 10.603 -8.373 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.719 12.132 -8.841 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.463 10.522 -8.174 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.450 11.900 -7.092 1.00 0.00 H new ATOM 1316 N VAL A 80 8.167 13.770 -5.167 1.00 0.00 N ATOM 1317 CA VAL A 80 8.777 14.937 -4.550 1.00 0.00 C ATOM 1318 C VAL A 80 10.285 14.694 -4.437 1.00 0.00 C ATOM 1319 O VAL A 80 10.722 13.681 -3.897 1.00 0.00 O ATOM 1320 CB VAL A 80 8.099 15.272 -3.208 1.00 0.00 C ATOM 1321 CG1 VAL A 80 8.190 14.154 -2.162 1.00 0.00 C ATOM 1322 CG2 VAL A 80 8.674 16.562 -2.612 1.00 0.00 C ATOM 0 H VAL A 80 7.646 13.182 -4.517 1.00 0.00 H new ATOM 0 HA VAL A 80 8.628 15.822 -5.169 1.00 0.00 H new ATOM 0 HB VAL A 80 7.044 15.399 -3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.689 14.470 -1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.709 13.255 -2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.237 13.941 -1.947 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.179 16.777 -1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.744 16.439 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.508 17.388 -3.304 1.00 0.00 H new ATOM 1332 N LYS A 81 11.090 15.615 -4.969 1.00 0.00 N ATOM 1333 CA LYS A 81 12.541 15.504 -4.953 1.00 0.00 C ATOM 1334 C LYS A 81 13.091 16.112 -3.660 1.00 0.00 C ATOM 1335 O LYS A 81 13.912 17.026 -3.702 1.00 0.00 O ATOM 1336 CB LYS A 81 13.113 16.172 -6.215 1.00 0.00 C ATOM 1337 CG LYS A 81 12.481 15.671 -7.525 1.00 0.00 C ATOM 1338 CD LYS A 81 12.660 14.160 -7.727 1.00 0.00 C ATOM 1339 CE LYS A 81 12.018 13.682 -9.036 1.00 0.00 C ATOM 1340 NZ LYS A 81 12.657 14.280 -10.222 1.00 0.00 N ATOM 0 H LYS A 81 10.748 16.461 -5.424 1.00 0.00 H new ATOM 0 HA LYS A 81 12.847 14.458 -4.968 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.968 17.250 -6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.188 15.997 -6.251 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.418 15.910 -7.526 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.928 16.202 -8.366 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.723 13.917 -7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.216 13.626 -6.887 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.088 12.596 -9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.957 13.934 -9.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.322 13.794 -11.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.411 15.289 -10.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.689 14.179 -10.148 1.00 0.00 H new ATOM 1354 N SER A 82 12.623 15.617 -2.513 1.00 0.00 N ATOM 1355 CA SER A 82 13.019 16.039 -1.182 1.00 0.00 C ATOM 1356 C SER A 82 12.292 15.116 -0.205 1.00 0.00 C ATOM 1357 O SER A 82 12.398 15.388 1.012 1.00 0.00 O ATOM 1358 CB SER A 82 12.644 17.508 -0.922 1.00 0.00 C ATOM 1359 OG SER A 82 12.998 17.864 0.400 1.00 0.00 O ATOM 1360 OXT SER A 82 11.601 14.193 -0.696 1.00 0.00 O ATOM 0 H SER A 82 11.924 14.875 -2.494 1.00 0.00 H new ATOM 0 HA SER A 82 14.101 15.973 -1.064 1.00 0.00 H new ATOM 0 HB2 SER A 82 13.157 18.156 -1.633 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.574 17.653 -1.074 1.00 0.00 H new ATOM 0 HG SER A 82 12.707 17.161 1.017 1.00 0.00 H new TER 1366 SER A 82