USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 821 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 29 LYS NZ :NH3+ 137:sc= 0.297 (180deg=0.143) USER MOD Set 1.2: A 74 CYS SG : rot -21:sc= -0.21 USER MOD Single : A 1 SER N :NH3+ -169:sc= 0.86 (180deg=0.266!) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0284 USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= -0.0356 (180deg=-0.273) USER MOD Single : A 7 CYS SG : rot 120:sc= -4.38! USER MOD Single : A 8 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0918) USER MOD Single : A 10 MET CE :methyl 157:sc= -0.263 (180deg=-1.32) USER MOD Single : A 11 SER OG : rot -85:sc= 1.22 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.0468 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.183 K(o=-0.18,f=-0.99) USER MOD Single : A 19 SER OG : rot 180:sc= -3.02! USER MOD Single : A 23 ASN : amide:sc= -0.0942 K(o=-0.094,f=-1.5!) USER MOD Single : A 24 LYS NZ :NH3+ -170:sc= -0.0159 (180deg=-0.201) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -2.13! C(o=-2.1!,f=-5.3!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0736) USER MOD Single : A 46 ASN : amide:sc=-0.00435 K(o=-0.0043,f=-0.85) USER MOD Single : A 47 SER OG : rot 92:sc= 1.1 USER MOD Single : A 48 ASN : amide:sc= -0.0437 X(o=-0.044,f=-0.33) USER MOD Single : A 58 THR OG1 : rot -11:sc= -1.14! USER MOD Single : A 60 LYS NZ :NH3+ 177:sc= 0.135 (180deg=0.132) USER MOD Single : A 62 SER OG : rot -92:sc= 0.0393 USER MOD Single : A 63 THR OG1 : rot 145:sc= 0.517 USER MOD Single : A 70 TYR OH : rot 168:sc= 1.13 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -46:sc= 1.29 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 203 LYS NZ :NH3+ 167:sc= -0.0368 (180deg=-0.255) USER MOD Single : B 205 LYS NZ :NH3+ -168:sc= 0.648 (180deg=0.0889) USER MOD Single : B 207 THR OG1 : rot 47:sc= 0.0602 USER MOD Single : B 208 LYS NZ :NH3+ 163:sc= 0.158! (180deg=0.0569!) USER MOD Single : B 209 THR OG1 : rot 1:sc= 1.22 USER MOD Single : B 211 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : B 212 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -11.445 -7.794 -12.707 1.00 0.00 N ATOM 2 CA SER A 1 -11.263 -6.653 -13.626 1.00 0.00 C ATOM 3 C SER A 1 -11.847 -5.368 -13.031 1.00 0.00 C ATOM 4 O SER A 1 -11.110 -4.437 -12.703 1.00 0.00 O ATOM 5 CB SER A 1 -11.918 -6.984 -14.979 1.00 0.00 C ATOM 6 OG SER A 1 -13.129 -7.696 -14.791 1.00 0.00 O ATOM 0 H1 SER A 1 -10.884 -8.603 -13.042 1.00 0.00 H new ATOM 0 H2 SER A 1 -11.129 -7.525 -11.753 1.00 0.00 H new ATOM 0 H3 SER A 1 -12.450 -8.059 -12.677 1.00 0.00 H new ATOM 0 HA SER A 1 -10.197 -6.482 -13.777 1.00 0.00 H new ATOM 0 HB2 SER A 1 -12.114 -6.063 -15.528 1.00 0.00 H new ATOM 0 HB3 SER A 1 -11.233 -7.577 -15.585 1.00 0.00 H new ATOM 0 HG SER A 1 -13.530 -7.895 -15.663 1.00 0.00 H new ATOM 14 N GLU A 2 -13.171 -5.313 -12.887 1.00 0.00 N ATOM 15 CA GLU A 2 -13.828 -4.122 -12.351 1.00 0.00 C ATOM 16 C GLU A 2 -14.177 -4.284 -10.874 1.00 0.00 C ATOM 17 O GLU A 2 -14.549 -3.314 -10.213 1.00 0.00 O ATOM 18 CB GLU A 2 -15.100 -3.800 -13.136 1.00 0.00 C ATOM 19 CG GLU A 2 -16.124 -4.919 -13.114 1.00 0.00 C ATOM 20 CD GLU A 2 -17.442 -4.503 -13.725 1.00 0.00 C ATOM 21 OE1 GLU A 2 -18.308 -3.985 -12.987 1.00 0.00 O ATOM 22 OE2 GLU A 2 -17.619 -4.689 -14.944 1.00 0.00 O ATOM 0 H GLU A 2 -13.805 -6.073 -13.132 1.00 0.00 H new ATOM 0 HA GLU A 2 -13.120 -3.299 -12.453 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -15.552 -2.897 -12.726 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -14.834 -3.582 -14.170 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -15.730 -5.779 -13.656 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -16.288 -5.238 -12.085 1.00 0.00 H new ATOM 29 N GLU A 3 -14.062 -5.509 -10.365 1.00 0.00 N ATOM 30 CA GLU A 3 -14.489 -5.823 -9.001 1.00 0.00 C ATOM 31 C GLU A 3 -13.819 -4.914 -7.976 1.00 0.00 C ATOM 32 O GLU A 3 -14.445 -4.521 -6.991 1.00 0.00 O ATOM 33 CB GLU A 3 -14.195 -7.284 -8.639 1.00 0.00 C ATOM 34 CG GLU A 3 -14.738 -8.302 -9.629 1.00 0.00 C ATOM 35 CD GLU A 3 -13.795 -8.536 -10.788 1.00 0.00 C ATOM 36 OE1 GLU A 3 -12.865 -9.356 -10.641 1.00 0.00 O ATOM 37 OE2 GLU A 3 -13.963 -7.890 -11.843 1.00 0.00 O ATOM 0 H GLU A 3 -13.676 -6.302 -10.877 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.566 -5.657 -8.973 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.116 -7.415 -8.558 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.616 -7.493 -7.655 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.918 -9.246 -9.114 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.700 -7.958 -10.010 1.00 0.00 H new ATOM 44 N GLU A 4 -12.557 -4.574 -8.219 1.00 0.00 N ATOM 45 CA GLU A 4 -11.807 -3.729 -7.289 1.00 0.00 C ATOM 46 C GLU A 4 -12.376 -2.310 -7.268 1.00 0.00 C ATOM 47 O GLU A 4 -12.467 -1.691 -6.212 1.00 0.00 O ATOM 48 CB GLU A 4 -10.305 -3.701 -7.636 1.00 0.00 C ATOM 49 CG GLU A 4 -10.019 -3.249 -9.059 1.00 0.00 C ATOM 50 CD GLU A 4 -8.541 -3.194 -9.371 1.00 0.00 C ATOM 51 OE1 GLU A 4 -7.934 -4.259 -9.603 1.00 0.00 O ATOM 52 OE2 GLU A 4 -7.978 -2.079 -9.402 1.00 0.00 O ATOM 0 H GLU A 4 -12.034 -4.866 -9.044 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.912 -4.162 -6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.792 -3.035 -6.942 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.888 -4.697 -7.489 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.508 -3.929 -9.756 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.456 -2.263 -9.217 1.00 0.00 H new ATOM 59 N ASP A 5 -12.803 -1.815 -8.430 1.00 0.00 N ATOM 60 CA ASP A 5 -13.333 -0.458 -8.539 1.00 0.00 C ATOM 61 C ASP A 5 -14.743 -0.393 -7.971 1.00 0.00 C ATOM 62 O ASP A 5 -15.277 0.689 -7.724 1.00 0.00 O ATOM 63 CB ASP A 5 -13.329 0.033 -9.997 1.00 0.00 C ATOM 64 CG ASP A 5 -11.933 0.238 -10.547 1.00 0.00 C ATOM 65 OD1 ASP A 5 -11.295 -0.754 -10.948 1.00 0.00 O ATOM 66 OD2 ASP A 5 -11.472 1.398 -10.606 1.00 0.00 O ATOM 0 H ASP A 5 -12.792 -2.334 -9.308 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.683 0.198 -7.960 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.857 -0.690 -10.620 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -13.880 0.971 -10.060 1.00 0.00 H new ATOM 71 N LYS A 6 -15.345 -1.557 -7.761 1.00 0.00 N ATOM 72 CA LYS A 6 -16.700 -1.637 -7.249 1.00 0.00 C ATOM 73 C LYS A 6 -16.681 -2.225 -5.839 1.00 0.00 C ATOM 74 O LYS A 6 -17.706 -2.651 -5.309 1.00 0.00 O ATOM 75 CB LYS A 6 -17.552 -2.502 -8.183 1.00 0.00 C ATOM 76 CG LYS A 6 -19.052 -2.302 -8.023 1.00 0.00 C ATOM 77 CD LYS A 6 -19.482 -0.941 -8.546 1.00 0.00 C ATOM 78 CE LYS A 6 -20.978 -0.728 -8.399 1.00 0.00 C ATOM 79 NZ LYS A 6 -21.765 -1.777 -9.104 1.00 0.00 N ATOM 0 H LYS A 6 -14.910 -2.462 -7.940 1.00 0.00 H new ATOM 0 HA LYS A 6 -17.136 -0.639 -7.205 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -17.276 -2.284 -9.215 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -17.316 -3.551 -8.005 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -19.586 -3.086 -8.560 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -19.324 -2.393 -6.971 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -18.949 -0.159 -8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -19.203 -0.850 -9.596 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -21.241 -0.727 -7.341 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -21.245 0.252 -8.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -22.756 -1.473 -9.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -21.372 -1.926 -10.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -21.717 -2.666 -8.567 1.00 0.00 H new ATOM 93 N CYS A 7 -15.498 -2.239 -5.240 1.00 0.00 N ATOM 94 CA CYS A 7 -15.298 -2.871 -3.946 1.00 0.00 C ATOM 95 C CYS A 7 -15.664 -1.915 -2.815 1.00 0.00 C ATOM 96 O CYS A 7 -15.652 -0.694 -2.990 1.00 0.00 O ATOM 97 CB CYS A 7 -13.841 -3.313 -3.799 1.00 0.00 C ATOM 98 SG CYS A 7 -13.594 -4.630 -2.584 1.00 0.00 S ATOM 0 H CYS A 7 -14.658 -1.816 -5.634 1.00 0.00 H new ATOM 0 HA CYS A 7 -15.948 -3.744 -3.887 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.475 -3.653 -4.768 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.237 -2.451 -3.514 1.00 0.00 H new ATOM 0 HG CYS A 7 -13.080 -5.670 -3.170 1.00 0.00 H new ATOM 104 N LYS A 8 -15.990 -2.481 -1.662 1.00 0.00 N ATOM 105 CA LYS A 8 -16.342 -1.697 -0.488 1.00 0.00 C ATOM 106 C LYS A 8 -15.122 -1.506 0.410 1.00 0.00 C ATOM 107 O LYS A 8 -14.183 -2.306 0.366 1.00 0.00 O ATOM 108 CB LYS A 8 -17.471 -2.383 0.289 1.00 0.00 C ATOM 109 CG LYS A 8 -18.866 -2.039 -0.213 1.00 0.00 C ATOM 110 CD LYS A 8 -19.074 -2.446 -1.662 1.00 0.00 C ATOM 111 CE LYS A 8 -20.425 -1.985 -2.182 1.00 0.00 C ATOM 112 NZ LYS A 8 -21.552 -2.596 -1.430 1.00 0.00 N ATOM 0 H LYS A 8 -16.018 -3.490 -1.515 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.688 -0.717 -0.816 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.332 -3.463 0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.396 -2.105 1.340 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -19.608 -2.537 0.412 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -19.032 -0.966 -0.112 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.282 -2.020 -2.278 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.999 -3.530 -1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -20.489 -0.899 -2.111 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.513 -2.241 -3.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -22.451 -2.349 -1.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -21.441 -3.630 -1.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.553 -2.237 -0.454 1.00 0.00 H new ATOM 126 N PRO A 9 -15.118 -0.437 1.231 1.00 0.00 N ATOM 127 CA PRO A 9 -13.997 -0.120 2.124 1.00 0.00 C ATOM 128 C PRO A 9 -13.739 -1.201 3.159 1.00 0.00 C ATOM 129 O PRO A 9 -14.633 -1.975 3.517 1.00 0.00 O ATOM 130 CB PRO A 9 -14.428 1.162 2.835 1.00 0.00 C ATOM 131 CG PRO A 9 -15.560 1.712 2.037 1.00 0.00 C ATOM 132 CD PRO A 9 -16.209 0.545 1.354 1.00 0.00 C ATOM 0 HA PRO A 9 -13.072 -0.026 1.555 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.737 0.955 3.860 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.605 1.875 2.888 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.272 2.230 2.680 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.203 2.439 1.307 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.040 0.150 1.939 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.609 0.823 0.379 1.00 0.00 H new ATOM 140 N MET A 10 -12.509 -1.245 3.637 1.00 0.00 N ATOM 141 CA MET A 10 -12.138 -2.155 4.699 1.00 0.00 C ATOM 142 C MET A 10 -12.056 -1.398 6.017 1.00 0.00 C ATOM 143 O MET A 10 -11.921 -0.174 6.032 1.00 0.00 O ATOM 144 CB MET A 10 -10.812 -2.853 4.383 1.00 0.00 C ATOM 145 CG MET A 10 -9.641 -1.908 4.207 1.00 0.00 C ATOM 146 SD MET A 10 -8.110 -2.772 3.810 1.00 0.00 S ATOM 147 CE MET A 10 -8.588 -3.660 2.330 1.00 0.00 C ATOM 0 H MET A 10 -11.747 -0.656 3.302 1.00 0.00 H new ATOM 0 HA MET A 10 -12.902 -2.927 4.785 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.582 -3.553 5.186 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.931 -3.440 3.472 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.869 -1.196 3.414 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.503 -1.332 5.122 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.699 -3.899 1.746 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.098 -4.582 2.608 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.258 -3.040 1.734 1.00 0.00 H new ATOM 157 N SER A 11 -12.133 -2.137 7.108 1.00 0.00 N ATOM 158 CA SER A 11 -12.228 -1.555 8.441 1.00 0.00 C ATOM 159 C SER A 11 -10.945 -0.838 8.867 1.00 0.00 C ATOM 160 O SER A 11 -9.908 -0.957 8.208 1.00 0.00 O ATOM 161 CB SER A 11 -12.569 -2.654 9.446 1.00 0.00 C ATOM 162 OG SER A 11 -11.621 -3.712 9.387 1.00 0.00 O ATOM 0 H SER A 11 -12.132 -3.157 7.099 1.00 0.00 H new ATOM 0 HA SER A 11 -13.016 -0.802 8.416 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.591 -2.237 10.453 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.566 -3.043 9.240 1.00 0.00 H new ATOM 0 HG SER A 11 -11.880 -4.344 8.684 1.00 0.00 H new ATOM 168 N TYR A 12 -11.023 -0.109 9.978 1.00 0.00 N ATOM 169 CA TYR A 12 -9.862 0.583 10.542 1.00 0.00 C ATOM 170 C TYR A 12 -8.743 -0.420 10.823 1.00 0.00 C ATOM 171 O TYR A 12 -7.570 -0.149 10.556 1.00 0.00 O ATOM 172 CB TYR A 12 -10.280 1.324 11.824 1.00 0.00 C ATOM 173 CG TYR A 12 -9.189 2.151 12.473 1.00 0.00 C ATOM 174 CD1 TYR A 12 -8.151 1.543 13.161 1.00 0.00 C ATOM 175 CD2 TYR A 12 -9.213 3.537 12.420 1.00 0.00 C ATOM 176 CE1 TYR A 12 -7.166 2.286 13.779 1.00 0.00 C ATOM 177 CE2 TYR A 12 -8.228 4.290 13.033 1.00 0.00 C ATOM 178 CZ TYR A 12 -7.209 3.660 13.711 1.00 0.00 C ATOM 179 OH TYR A 12 -6.228 4.408 14.325 1.00 0.00 O ATOM 0 H TYR A 12 -11.884 0.019 10.510 1.00 0.00 H new ATOM 0 HA TYR A 12 -9.486 1.315 9.827 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -11.120 1.978 11.590 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.639 0.592 12.548 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.112 0.465 13.215 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.013 4.035 11.892 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.367 1.793 14.312 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.258 5.368 12.980 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.405 5.361 14.181 1.00 0.00 H new ATOM 189 N GLU A 13 -9.127 -1.592 11.327 1.00 0.00 N ATOM 190 CA GLU A 13 -8.184 -2.664 11.615 1.00 0.00 C ATOM 191 C GLU A 13 -7.423 -3.033 10.346 1.00 0.00 C ATOM 192 O GLU A 13 -6.192 -3.074 10.333 1.00 0.00 O ATOM 193 CB GLU A 13 -8.945 -3.884 12.163 1.00 0.00 C ATOM 194 CG GLU A 13 -8.076 -4.947 12.835 1.00 0.00 C ATOM 195 CD GLU A 13 -7.189 -5.707 11.870 1.00 0.00 C ATOM 196 OE1 GLU A 13 -7.724 -6.486 11.052 1.00 0.00 O ATOM 197 OE2 GLU A 13 -5.953 -5.551 11.941 1.00 0.00 O ATOM 0 H GLU A 13 -10.097 -1.821 11.545 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.467 -2.331 12.366 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.686 -3.536 12.882 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.491 -4.350 11.343 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.451 -4.469 13.590 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.721 -5.655 13.356 1.00 0.00 H new ATOM 204 N GLU A 14 -8.170 -3.250 9.272 1.00 0.00 N ATOM 205 CA GLU A 14 -7.598 -3.704 8.010 1.00 0.00 C ATOM 206 C GLU A 14 -6.744 -2.615 7.367 1.00 0.00 C ATOM 207 O GLU A 14 -5.650 -2.891 6.887 1.00 0.00 O ATOM 208 CB GLU A 14 -8.705 -4.145 7.057 1.00 0.00 C ATOM 209 CG GLU A 14 -9.428 -5.403 7.510 1.00 0.00 C ATOM 210 CD GLU A 14 -10.730 -5.618 6.775 1.00 0.00 C ATOM 211 OE1 GLU A 14 -11.677 -4.836 7.002 1.00 0.00 O ATOM 212 OE2 GLU A 14 -10.821 -6.581 5.987 1.00 0.00 O ATOM 0 H GLU A 14 -9.181 -3.118 9.249 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.952 -4.556 8.219 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.429 -3.336 6.954 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.277 -4.317 6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.780 -6.266 7.355 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.625 -5.340 8.580 1.00 0.00 H new ATOM 219 N LYS A 15 -7.248 -1.384 7.369 1.00 0.00 N ATOM 220 CA LYS A 15 -6.497 -0.244 6.853 1.00 0.00 C ATOM 221 C LYS A 15 -5.168 -0.089 7.594 1.00 0.00 C ATOM 222 O LYS A 15 -4.123 0.132 6.982 1.00 0.00 O ATOM 223 CB LYS A 15 -7.328 1.035 6.979 1.00 0.00 C ATOM 224 CG LYS A 15 -8.477 1.118 5.989 1.00 0.00 C ATOM 225 CD LYS A 15 -9.484 2.188 6.385 1.00 0.00 C ATOM 226 CE LYS A 15 -10.210 2.737 5.170 1.00 0.00 C ATOM 227 NZ LYS A 15 -11.327 3.640 5.552 1.00 0.00 N ATOM 0 H LYS A 15 -8.176 -1.150 7.723 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.281 -0.422 5.800 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.727 1.100 7.991 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.676 1.897 6.838 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.086 1.336 4.995 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.977 0.151 5.930 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.207 1.769 7.085 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.972 2.999 6.903 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.505 3.279 4.540 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.599 1.910 4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.797 3.993 4.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.014 3.117 6.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.953 4.443 6.098 1.00 0.00 H new ATOM 241 N ARG A 16 -5.217 -0.213 8.913 1.00 0.00 N ATOM 242 CA ARG A 16 -4.011 -0.171 9.731 1.00 0.00 C ATOM 243 C ARG A 16 -3.079 -1.329 9.380 1.00 0.00 C ATOM 244 O ARG A 16 -1.876 -1.138 9.203 1.00 0.00 O ATOM 245 CB ARG A 16 -4.367 -0.233 11.218 1.00 0.00 C ATOM 246 CG ARG A 16 -3.153 -0.303 12.130 1.00 0.00 C ATOM 247 CD ARG A 16 -3.495 -1.003 13.429 1.00 0.00 C ATOM 248 NE ARG A 16 -3.951 -2.378 13.205 1.00 0.00 N ATOM 249 CZ ARG A 16 -3.734 -3.384 14.050 1.00 0.00 C ATOM 250 NH1 ARG A 16 -3.048 -3.184 15.169 1.00 0.00 N ATOM 251 NH2 ARG A 16 -4.210 -4.593 13.779 1.00 0.00 N ATOM 0 H ARG A 16 -6.080 -0.344 9.441 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.500 0.770 9.525 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.957 0.645 11.479 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.996 -1.105 11.397 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.345 -0.835 11.627 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.791 0.704 12.339 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.619 -1.012 14.078 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.272 -0.443 13.950 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.467 -2.577 12.348 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.684 -2.256 15.385 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.885 -3.958 15.813 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.742 -4.752 12.923 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.044 -5.363 14.426 1.00 0.00 H new ATOM 265 N GLN A 17 -3.645 -2.528 9.276 1.00 0.00 N ATOM 266 CA GLN A 17 -2.869 -3.722 8.974 1.00 0.00 C ATOM 267 C GLN A 17 -2.252 -3.630 7.585 1.00 0.00 C ATOM 268 O GLN A 17 -1.210 -4.216 7.322 1.00 0.00 O ATOM 269 CB GLN A 17 -3.746 -4.970 9.078 1.00 0.00 C ATOM 270 CG GLN A 17 -2.952 -6.266 9.118 1.00 0.00 C ATOM 271 CD GLN A 17 -2.053 -6.349 10.337 1.00 0.00 C ATOM 272 OE1 GLN A 17 -2.367 -5.800 11.391 1.00 0.00 O ATOM 273 NE2 GLN A 17 -0.930 -7.032 10.201 1.00 0.00 N ATOM 0 H GLN A 17 -4.644 -2.697 9.398 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.064 -3.796 9.705 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.359 -4.900 9.977 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.428 -4.997 8.228 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.640 -7.112 9.117 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.346 -6.347 8.215 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.706 -7.473 9.309 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.287 -7.118 10.988 1.00 0.00 H new ATOM 282 N LEU A 18 -2.902 -2.877 6.716 1.00 0.00 N ATOM 283 CA LEU A 18 -2.429 -2.670 5.352 1.00 0.00 C ATOM 284 C LEU A 18 -1.203 -1.762 5.358 1.00 0.00 C ATOM 285 O LEU A 18 -0.260 -1.940 4.597 1.00 0.00 O ATOM 286 CB LEU A 18 -3.552 -2.053 4.515 1.00 0.00 C ATOM 287 CG LEU A 18 -3.710 -2.585 3.086 1.00 0.00 C ATOM 288 CD1 LEU A 18 -5.014 -2.099 2.485 1.00 0.00 C ATOM 289 CD2 LEU A 18 -2.552 -2.161 2.204 1.00 0.00 C ATOM 0 H LEU A 18 -3.772 -2.391 6.932 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.145 -3.627 4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.494 -2.205 5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.387 -0.977 4.462 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.718 -3.674 3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.113 -2.484 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.848 -2.453 3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.020 -1.009 2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.697 -2.556 1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.505 -1.073 2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.620 -2.549 2.615 1.00 0.00 H new ATOM 301 N SER A 19 -1.212 -0.779 6.234 1.00 0.00 N ATOM 302 CA SER A 19 -0.028 0.033 6.449 1.00 0.00 C ATOM 303 C SER A 19 1.111 -0.846 6.958 1.00 0.00 C ATOM 304 O SER A 19 2.285 -0.613 6.663 1.00 0.00 O ATOM 305 CB SER A 19 -0.329 1.154 7.449 1.00 0.00 C ATOM 306 OG SER A 19 0.847 1.857 7.811 1.00 0.00 O ATOM 0 H SER A 19 -2.017 -0.523 6.805 1.00 0.00 H new ATOM 0 HA SER A 19 0.271 0.488 5.505 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.049 1.847 7.014 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.791 0.732 8.342 1.00 0.00 H new ATOM 0 HG SER A 19 0.621 2.566 8.448 1.00 0.00 H new ATOM 312 N LEU A 20 0.740 -1.869 7.704 1.00 0.00 N ATOM 313 CA LEU A 20 1.694 -2.782 8.296 1.00 0.00 C ATOM 314 C LEU A 20 2.161 -3.837 7.294 1.00 0.00 C ATOM 315 O LEU A 20 3.307 -4.284 7.350 1.00 0.00 O ATOM 316 CB LEU A 20 1.063 -3.435 9.517 1.00 0.00 C ATOM 317 CG LEU A 20 0.815 -2.481 10.683 1.00 0.00 C ATOM 318 CD1 LEU A 20 0.203 -3.235 11.840 1.00 0.00 C ATOM 319 CD2 LEU A 20 2.111 -1.807 11.101 1.00 0.00 C ATOM 0 H LEU A 20 -0.233 -2.089 7.916 1.00 0.00 H new ATOM 0 HA LEU A 20 2.578 -2.220 8.598 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.115 -3.886 9.224 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.709 -4.244 9.856 1.00 0.00 H new ATOM 0 HG LEU A 20 0.119 -1.705 10.366 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.028 -2.550 12.669 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.744 -3.675 11.527 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.882 -4.025 12.160 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.917 -1.130 11.933 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.832 -2.564 11.409 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.515 -1.242 10.261 1.00 0.00 H new ATOM 331 N ASP A 21 1.284 -4.224 6.371 1.00 0.00 N ATOM 332 CA ASP A 21 1.616 -5.251 5.390 1.00 0.00 C ATOM 333 C ASP A 21 2.492 -4.690 4.268 1.00 0.00 C ATOM 334 O ASP A 21 3.382 -5.380 3.764 1.00 0.00 O ATOM 335 CB ASP A 21 0.351 -5.954 4.853 1.00 0.00 C ATOM 336 CG ASP A 21 -0.653 -5.071 4.156 1.00 0.00 C ATOM 337 OD1 ASP A 21 -0.255 -4.197 3.379 1.00 0.00 O ATOM 338 OD2 ASP A 21 -1.866 -5.297 4.368 1.00 0.00 O ATOM 0 H ASP A 21 0.342 -3.843 6.283 1.00 0.00 H new ATOM 0 HA ASP A 21 2.205 -6.015 5.897 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.661 -6.735 4.159 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.147 -6.448 5.687 1.00 0.00 H new ATOM 343 N ILE A 22 2.277 -3.432 3.901 1.00 0.00 N ATOM 344 CA ILE A 22 3.147 -2.774 2.932 1.00 0.00 C ATOM 345 C ILE A 22 4.515 -2.530 3.543 1.00 0.00 C ATOM 346 O ILE A 22 5.541 -2.631 2.869 1.00 0.00 O ATOM 347 CB ILE A 22 2.555 -1.438 2.436 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.282 -1.690 1.628 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.561 -0.667 1.601 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.460 -0.454 1.420 1.00 0.00 C ATOM 0 H ILE A 22 1.516 -2.852 4.255 1.00 0.00 H new ATOM 0 HA ILE A 22 3.238 -3.438 2.072 1.00 0.00 H new ATOM 0 HB ILE A 22 2.308 -0.835 3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.552 -2.107 0.658 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.677 -2.439 2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.114 0.269 1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.445 -0.453 2.202 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.847 -1.263 0.734 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.429 -0.702 0.840 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.161 -0.049 2.387 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.049 0.289 0.882 1.00 0.00 H new ATOM 362 N ASN A 23 4.521 -2.234 4.836 1.00 0.00 N ATOM 363 CA ASN A 23 5.762 -2.023 5.567 1.00 0.00 C ATOM 364 C ASN A 23 6.620 -3.290 5.535 1.00 0.00 C ATOM 365 O ASN A 23 7.834 -3.234 5.721 1.00 0.00 O ATOM 366 CB ASN A 23 5.479 -1.660 7.026 1.00 0.00 C ATOM 367 CG ASN A 23 6.614 -0.856 7.637 1.00 0.00 C ATOM 368 OD1 ASN A 23 7.292 -0.092 6.948 1.00 0.00 O ATOM 369 ND2 ASN A 23 6.840 -1.028 8.927 1.00 0.00 N ATOM 0 H ASN A 23 3.678 -2.135 5.401 1.00 0.00 H new ATOM 0 HA ASN A 23 6.294 -1.202 5.086 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.554 -1.086 7.085 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.326 -2.571 7.604 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.597 -0.520 9.384 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.258 -1.669 9.466 1.00 0.00 H new ATOM 376 N LYS A 24 5.971 -4.430 5.311 1.00 0.00 N ATOM 377 CA LYS A 24 6.652 -5.719 5.284 1.00 0.00 C ATOM 378 C LYS A 24 7.366 -5.951 3.959 1.00 0.00 C ATOM 379 O LYS A 24 8.349 -6.692 3.900 1.00 0.00 O ATOM 380 CB LYS A 24 5.657 -6.856 5.511 1.00 0.00 C ATOM 381 CG LYS A 24 5.147 -6.967 6.935 1.00 0.00 C ATOM 382 CD LYS A 24 4.139 -8.098 7.073 1.00 0.00 C ATOM 383 CE LYS A 24 3.569 -8.182 8.482 1.00 0.00 C ATOM 384 NZ LYS A 24 4.634 -8.313 9.514 1.00 0.00 N ATOM 0 H LYS A 24 4.966 -4.485 5.144 1.00 0.00 H new ATOM 0 HA LYS A 24 7.392 -5.705 6.085 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.807 -6.717 4.843 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.130 -7.798 5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.984 -7.138 7.611 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.684 -6.026 7.233 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.327 -7.949 6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.617 -9.044 6.818 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.976 -7.290 8.686 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.894 -9.035 8.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.201 -8.536 10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.287 -9.076 9.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.159 -7.418 9.587 1.00 0.00 H new ATOM 398 N LEU A 25 6.859 -5.341 2.897 1.00 0.00 N ATOM 399 CA LEU A 25 7.415 -5.556 1.562 1.00 0.00 C ATOM 400 C LEU A 25 8.837 -5.015 1.451 1.00 0.00 C ATOM 401 O LEU A 25 9.100 -3.869 1.818 1.00 0.00 O ATOM 402 CB LEU A 25 6.547 -4.883 0.505 1.00 0.00 C ATOM 403 CG LEU A 25 5.098 -5.336 0.451 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.449 -4.813 -0.810 1.00 0.00 C ATOM 405 CD2 LEU A 25 5.007 -6.842 0.509 1.00 0.00 C ATOM 0 H LEU A 25 6.069 -4.697 2.929 1.00 0.00 H new ATOM 0 HA LEU A 25 7.435 -6.633 1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.565 -3.807 0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.998 -5.056 -0.472 1.00 0.00 H new ATOM 0 HG LEU A 25 4.570 -4.934 1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.410 -5.139 -0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.488 -3.724 -0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.981 -5.198 -1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.961 -7.145 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.542 -7.272 -0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.453 -7.198 1.438 1.00 0.00 H new ATOM 417 N PRO A 26 9.781 -5.845 0.967 1.00 0.00 N ATOM 418 CA PRO A 26 11.137 -5.390 0.638 1.00 0.00 C ATOM 419 C PRO A 26 11.104 -4.275 -0.406 1.00 0.00 C ATOM 420 O PRO A 26 10.183 -4.224 -1.220 1.00 0.00 O ATOM 421 CB PRO A 26 11.819 -6.649 0.086 1.00 0.00 C ATOM 422 CG PRO A 26 11.034 -7.782 0.650 1.00 0.00 C ATOM 423 CD PRO A 26 9.617 -7.292 0.739 1.00 0.00 C ATOM 0 HA PRO A 26 11.662 -4.970 1.496 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.805 -6.661 -1.004 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.864 -6.700 0.392 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.104 -8.663 0.012 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.411 -8.069 1.632 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.061 -7.496 -0.176 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.075 -7.770 1.555 1.00 0.00 H new ATOM 431 N GLY A 27 12.117 -3.405 -0.380 1.00 0.00 N ATOM 432 CA GLY A 27 12.116 -2.175 -1.170 1.00 0.00 C ATOM 433 C GLY A 27 11.637 -2.316 -2.609 1.00 0.00 C ATOM 434 O GLY A 27 10.898 -1.455 -3.090 1.00 0.00 O ATOM 0 H GLY A 27 12.955 -3.534 0.186 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.486 -1.442 -0.667 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.128 -1.771 -1.181 1.00 0.00 H new ATOM 438 N GLU A 28 12.049 -3.371 -3.305 1.00 0.00 N ATOM 439 CA GLU A 28 11.636 -3.554 -4.697 1.00 0.00 C ATOM 440 C GLU A 28 10.125 -3.765 -4.780 1.00 0.00 C ATOM 441 O GLU A 28 9.427 -3.063 -5.513 1.00 0.00 O ATOM 442 CB GLU A 28 12.360 -4.746 -5.343 1.00 0.00 C ATOM 443 CG GLU A 28 11.924 -5.023 -6.773 1.00 0.00 C ATOM 444 CD GLU A 28 12.060 -6.478 -7.161 1.00 0.00 C ATOM 445 OE1 GLU A 28 11.183 -7.280 -6.782 1.00 0.00 O ATOM 446 OE2 GLU A 28 13.029 -6.819 -7.872 1.00 0.00 O ATOM 0 H GLU A 28 12.658 -4.102 -2.938 1.00 0.00 H new ATOM 0 HA GLU A 28 11.906 -2.650 -5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.434 -4.558 -5.330 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.185 -5.637 -4.740 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.886 -4.715 -6.896 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.520 -4.414 -7.453 1.00 0.00 H new ATOM 453 N LYS A 29 9.632 -4.725 -4.010 1.00 0.00 N ATOM 454 CA LYS A 29 8.207 -5.023 -3.955 1.00 0.00 C ATOM 455 C LYS A 29 7.440 -3.827 -3.408 1.00 0.00 C ATOM 456 O LYS A 29 6.308 -3.551 -3.806 1.00 0.00 O ATOM 457 CB LYS A 29 7.975 -6.236 -3.061 1.00 0.00 C ATOM 458 CG LYS A 29 8.575 -7.526 -3.597 1.00 0.00 C ATOM 459 CD LYS A 29 7.804 -8.068 -4.793 1.00 0.00 C ATOM 460 CE LYS A 29 8.356 -9.414 -5.249 1.00 0.00 C ATOM 461 NZ LYS A 29 8.401 -10.404 -4.138 1.00 0.00 N ATOM 0 H LYS A 29 10.205 -5.317 -3.408 1.00 0.00 H new ATOM 0 HA LYS A 29 7.850 -5.239 -4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.396 -6.034 -2.076 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.902 -6.375 -2.927 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.611 -7.350 -3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.587 -8.275 -2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.751 -8.175 -4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.857 -7.354 -5.615 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.738 -9.804 -6.057 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.359 -9.276 -5.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.064 -11.326 -4.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.379 -10.498 -3.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.792 -10.080 -3.360 1.00 0.00 H new ATOM 475 N LEU A 30 8.081 -3.132 -2.485 1.00 0.00 N ATOM 476 CA LEU A 30 7.527 -1.941 -1.864 1.00 0.00 C ATOM 477 C LEU A 30 7.303 -0.840 -2.890 1.00 0.00 C ATOM 478 O LEU A 30 6.273 -0.173 -2.859 1.00 0.00 O ATOM 479 CB LEU A 30 8.475 -1.461 -0.760 1.00 0.00 C ATOM 480 CG LEU A 30 8.030 -0.222 -0.002 1.00 0.00 C ATOM 481 CD1 LEU A 30 6.550 -0.295 0.333 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.855 -0.075 1.267 1.00 0.00 C ATOM 0 H LEU A 30 9.009 -3.380 -2.142 1.00 0.00 H new ATOM 0 HA LEU A 30 6.558 -2.188 -1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.611 -2.273 -0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.450 -1.262 -1.205 1.00 0.00 H new ATOM 0 HG LEU A 30 8.188 0.651 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.255 0.603 0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.972 -0.369 -0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.360 -1.172 0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.534 0.815 1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.714 -0.954 1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.909 0.020 1.007 1.00 0.00 H new ATOM 494 N GLY A 31 8.248 -0.672 -3.811 1.00 0.00 N ATOM 495 CA GLY A 31 8.145 0.386 -4.808 1.00 0.00 C ATOM 496 C GLY A 31 6.881 0.293 -5.647 1.00 0.00 C ATOM 497 O GLY A 31 6.474 1.273 -6.273 1.00 0.00 O ATOM 0 H GLY A 31 9.085 -1.249 -3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.171 1.353 -4.307 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.014 0.344 -5.465 1.00 0.00 H new ATOM 501 N ARG A 32 6.253 -0.878 -5.656 1.00 0.00 N ATOM 502 CA ARG A 32 5.001 -1.059 -6.369 1.00 0.00 C ATOM 503 C ARG A 32 3.868 -0.328 -5.659 1.00 0.00 C ATOM 504 O ARG A 32 3.160 0.454 -6.274 1.00 0.00 O ATOM 505 CB ARG A 32 4.654 -2.542 -6.497 1.00 0.00 C ATOM 506 CG ARG A 32 3.370 -2.811 -7.277 1.00 0.00 C ATOM 507 CD ARG A 32 3.455 -2.259 -8.699 1.00 0.00 C ATOM 508 NE ARG A 32 4.634 -2.748 -9.410 1.00 0.00 N ATOM 509 CZ ARG A 32 4.942 -2.412 -10.663 1.00 0.00 C ATOM 510 NH1 ARG A 32 4.124 -1.643 -11.371 1.00 0.00 N ATOM 511 NH2 ARG A 32 6.065 -2.859 -11.212 1.00 0.00 N ATOM 0 H ARG A 32 6.592 -1.712 -5.178 1.00 0.00 H new ATOM 0 HA ARG A 32 5.125 -0.640 -7.368 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.480 -3.057 -6.987 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.558 -2.970 -5.499 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.182 -3.884 -7.312 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.526 -2.357 -6.759 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.558 -2.540 -9.250 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.480 -1.170 -8.664 1.00 0.00 H new ATOM 0 HE ARG A 32 5.260 -3.385 -8.918 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.255 -1.306 -10.957 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.365 -1.389 -12.329 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.691 -3.459 -10.675 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.301 -2.602 -12.170 1.00 0.00 H new ATOM 525 N VAL A 33 3.725 -0.566 -4.360 1.00 0.00 N ATOM 526 CA VAL A 33 2.606 -0.005 -3.594 1.00 0.00 C ATOM 527 C VAL A 33 2.691 1.509 -3.519 1.00 0.00 C ATOM 528 O VAL A 33 1.693 2.188 -3.747 1.00 0.00 O ATOM 529 CB VAL A 33 2.498 -0.599 -2.170 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.242 -1.453 -2.052 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.729 -1.415 -1.811 1.00 0.00 C ATOM 0 H VAL A 33 4.365 -1.141 -3.812 1.00 0.00 H new ATOM 0 HA VAL A 33 1.702 -0.284 -4.135 1.00 0.00 H new ATOM 0 HB VAL A 33 2.434 0.230 -1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.176 -1.866 -1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.364 -0.838 -2.250 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.286 -2.267 -2.776 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.618 -1.817 -0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.840 -2.236 -2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.613 -0.778 -1.852 1.00 0.00 H new ATOM 541 N VAL A 34 3.879 2.039 -3.234 1.00 0.00 N ATOM 542 CA VAL A 34 4.088 3.494 -3.255 1.00 0.00 C ATOM 543 C VAL A 34 3.615 4.058 -4.591 1.00 0.00 C ATOM 544 O VAL A 34 2.965 5.102 -4.648 1.00 0.00 O ATOM 545 CB VAL A 34 5.578 3.885 -2.998 1.00 0.00 C ATOM 546 CG1 VAL A 34 6.452 2.665 -3.002 1.00 0.00 C ATOM 547 CG2 VAL A 34 6.107 4.900 -4.010 1.00 0.00 C ATOM 0 H VAL A 34 4.706 1.494 -2.988 1.00 0.00 H new ATOM 0 HA VAL A 34 3.503 3.925 -2.442 1.00 0.00 H new ATOM 0 HB VAL A 34 5.608 4.357 -2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.486 2.958 -2.821 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.126 1.981 -2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.379 2.168 -3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.147 5.134 -3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.042 4.481 -5.014 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.510 5.811 -3.958 1.00 0.00 H new ATOM 557 N HIS A 35 3.930 3.334 -5.652 1.00 0.00 N ATOM 558 CA HIS A 35 3.506 3.707 -6.994 1.00 0.00 C ATOM 559 C HIS A 35 1.992 3.541 -7.155 1.00 0.00 C ATOM 560 O HIS A 35 1.334 4.402 -7.733 1.00 0.00 O ATOM 561 CB HIS A 35 4.251 2.868 -8.037 1.00 0.00 C ATOM 562 CG HIS A 35 3.973 3.269 -9.456 1.00 0.00 C ATOM 563 ND1 HIS A 35 4.608 4.322 -10.076 1.00 0.00 N ATOM 564 CD2 HIS A 35 3.125 2.753 -10.378 1.00 0.00 C ATOM 565 CE1 HIS A 35 4.163 4.437 -11.312 1.00 0.00 C ATOM 566 NE2 HIS A 35 3.264 3.497 -11.521 1.00 0.00 N ATOM 0 H HIS A 35 4.482 2.478 -5.610 1.00 0.00 H new ATOM 0 HA HIS A 35 3.749 4.758 -7.150 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.322 2.945 -7.852 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.979 1.820 -7.907 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.462 1.912 -10.238 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.482 5.177 -12.031 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.754 3.347 -12.392 1.00 0.00 H new ATOM 575 N ILE A 36 1.449 2.433 -6.646 1.00 0.00 N ATOM 576 CA ILE A 36 0.015 2.163 -6.742 1.00 0.00 C ATOM 577 C ILE A 36 -0.797 3.288 -6.115 1.00 0.00 C ATOM 578 O ILE A 36 -1.652 3.873 -6.776 1.00 0.00 O ATOM 579 CB ILE A 36 -0.402 0.825 -6.078 1.00 0.00 C ATOM 580 CG1 ILE A 36 0.352 -0.352 -6.700 1.00 0.00 C ATOM 581 CG2 ILE A 36 -1.906 0.623 -6.220 1.00 0.00 C ATOM 582 CD1 ILE A 36 -0.140 -1.711 -6.244 1.00 0.00 C ATOM 0 H ILE A 36 1.981 1.709 -6.163 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.195 2.091 -7.809 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.145 0.870 -5.020 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.267 -0.292 -7.785 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.411 -0.260 -6.458 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.192 -0.319 -5.752 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.431 1.445 -5.733 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.172 0.598 -7.277 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.445 -2.492 -6.730 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.029 -1.794 -5.163 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.191 -1.826 -6.511 1.00 0.00 H new ATOM 594 N ILE A 37 -0.521 3.600 -4.850 1.00 0.00 N ATOM 595 CA ILE A 37 -1.278 4.634 -4.155 1.00 0.00 C ATOM 596 C ILE A 37 -1.187 5.956 -4.905 1.00 0.00 C ATOM 597 O ILE A 37 -2.201 6.563 -5.229 1.00 0.00 O ATOM 598 CB ILE A 37 -0.811 4.862 -2.700 1.00 0.00 C ATOM 599 CG1 ILE A 37 -0.943 3.587 -1.865 1.00 0.00 C ATOM 600 CG2 ILE A 37 -1.649 5.964 -2.080 1.00 0.00 C ATOM 601 CD1 ILE A 37 0.364 3.068 -1.311 1.00 0.00 C ATOM 0 H ILE A 37 0.211 3.158 -4.294 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.307 4.276 -4.123 1.00 0.00 H new ATOM 0 HB ILE A 37 0.241 5.147 -2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.625 3.778 -1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.398 2.810 -2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.326 6.132 -1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.525 6.882 -2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.699 5.671 -2.087 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.180 2.163 -0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.043 2.842 -2.133 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.813 3.825 -0.668 1.00 0.00 H new ATOM 613 N GLN A 38 0.034 6.377 -5.202 1.00 0.00 N ATOM 614 CA GLN A 38 0.271 7.641 -5.893 1.00 0.00 C ATOM 615 C GLN A 38 -0.407 7.682 -7.262 1.00 0.00 C ATOM 616 O GLN A 38 -0.809 8.747 -7.733 1.00 0.00 O ATOM 617 CB GLN A 38 1.774 7.886 -6.054 1.00 0.00 C ATOM 618 CG GLN A 38 2.490 8.203 -4.746 1.00 0.00 C ATOM 619 CD GLN A 38 3.467 9.352 -4.888 1.00 0.00 C ATOM 620 OE1 GLN A 38 3.288 10.233 -5.727 1.00 0.00 O ATOM 621 NE2 GLN A 38 4.498 9.362 -4.059 1.00 0.00 N ATOM 0 H GLN A 38 0.883 5.859 -4.974 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.165 8.430 -5.280 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.230 7.004 -6.502 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.926 8.711 -6.749 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.753 8.448 -3.981 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.023 7.316 -4.402 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.611 8.612 -3.377 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.180 10.120 -4.102 1.00 0.00 H new ATOM 630 N SER A 39 -0.518 6.531 -7.904 1.00 0.00 N ATOM 631 CA SER A 39 -1.135 6.454 -9.219 1.00 0.00 C ATOM 632 C SER A 39 -2.659 6.480 -9.122 1.00 0.00 C ATOM 633 O SER A 39 -3.331 7.003 -10.014 1.00 0.00 O ATOM 634 CB SER A 39 -0.669 5.195 -9.954 1.00 0.00 C ATOM 635 OG SER A 39 -1.192 5.135 -11.273 1.00 0.00 O ATOM 0 H SER A 39 -0.190 5.638 -7.537 1.00 0.00 H new ATOM 0 HA SER A 39 -0.822 7.330 -9.786 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.420 5.178 -9.993 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.982 4.312 -9.398 1.00 0.00 H new ATOM 0 HG SER A 39 -0.874 4.320 -11.714 1.00 0.00 H new ATOM 641 N ARG A 40 -3.211 5.939 -8.039 1.00 0.00 N ATOM 642 CA ARG A 40 -4.657 5.868 -7.897 1.00 0.00 C ATOM 643 C ARG A 40 -5.170 7.123 -7.220 1.00 0.00 C ATOM 644 O ARG A 40 -6.296 7.564 -7.456 1.00 0.00 O ATOM 645 CB ARG A 40 -5.071 4.643 -7.085 1.00 0.00 C ATOM 646 CG ARG A 40 -4.497 3.334 -7.608 1.00 0.00 C ATOM 647 CD ARG A 40 -5.337 2.146 -7.198 1.00 0.00 C ATOM 648 NE ARG A 40 -6.673 2.172 -7.795 1.00 0.00 N ATOM 649 CZ ARG A 40 -7.293 1.093 -8.276 1.00 0.00 C ATOM 650 NH1 ARG A 40 -6.712 -0.100 -8.204 1.00 0.00 N ATOM 651 NH2 ARG A 40 -8.495 1.205 -8.828 1.00 0.00 N ATOM 0 H ARG A 40 -2.684 5.549 -7.258 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.092 5.784 -8.893 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.754 4.780 -6.051 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.159 4.574 -7.078 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.432 3.375 -8.695 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.481 3.207 -7.233 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.829 1.227 -7.492 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.428 2.127 -6.112 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.159 3.068 -7.846 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.789 -0.193 -7.780 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.189 -0.923 -8.573 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.947 2.118 -8.885 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.967 0.378 -9.195 1.00 0.00 H new ATOM 665 N GLU A 41 -4.343 7.672 -6.350 1.00 0.00 N ATOM 666 CA GLU A 41 -4.692 8.858 -5.602 1.00 0.00 C ATOM 667 C GLU A 41 -3.794 10.038 -5.965 1.00 0.00 C ATOM 668 O GLU A 41 -2.763 10.266 -5.330 1.00 0.00 O ATOM 669 CB GLU A 41 -4.575 8.522 -4.139 1.00 0.00 C ATOM 670 CG GLU A 41 -5.168 7.176 -3.864 1.00 0.00 C ATOM 671 CD GLU A 41 -6.502 7.236 -3.156 1.00 0.00 C ATOM 672 OE1 GLU A 41 -6.815 8.278 -2.544 1.00 0.00 O ATOM 673 OE2 GLU A 41 -7.264 6.255 -3.247 1.00 0.00 O ATOM 0 H GLU A 41 -3.413 7.307 -6.145 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.710 9.162 -5.845 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.527 8.533 -3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.085 9.280 -3.543 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.290 6.642 -4.807 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.470 6.598 -3.258 1.00 0.00 H new ATOM 680 N PRO A 42 -4.178 10.811 -6.993 1.00 0.00 N ATOM 681 CA PRO A 42 -3.407 11.977 -7.446 1.00 0.00 C ATOM 682 C PRO A 42 -3.249 13.035 -6.355 1.00 0.00 C ATOM 683 O PRO A 42 -2.307 13.829 -6.379 1.00 0.00 O ATOM 684 CB PRO A 42 -4.239 12.537 -8.605 1.00 0.00 C ATOM 685 CG PRO A 42 -5.104 11.408 -9.044 1.00 0.00 C ATOM 686 CD PRO A 42 -5.387 10.607 -7.807 1.00 0.00 C ATOM 0 HA PRO A 42 -2.391 11.699 -7.726 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -4.837 13.390 -8.285 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.600 12.883 -9.418 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.027 11.774 -9.493 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.602 10.801 -9.797 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.282 10.960 -7.295 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.545 9.553 -8.037 1.00 0.00 H new ATOM 694 N SER A 43 -4.163 13.023 -5.390 1.00 0.00 N ATOM 695 CA SER A 43 -4.171 14.001 -4.310 1.00 0.00 C ATOM 696 C SER A 43 -2.922 13.885 -3.431 1.00 0.00 C ATOM 697 O SER A 43 -2.588 14.808 -2.690 1.00 0.00 O ATOM 698 CB SER A 43 -5.428 13.810 -3.464 1.00 0.00 C ATOM 699 OG SER A 43 -6.590 13.809 -4.282 1.00 0.00 O ATOM 0 H SER A 43 -4.916 12.337 -5.335 1.00 0.00 H new ATOM 0 HA SER A 43 -4.169 14.997 -4.752 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.363 12.871 -2.915 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.499 14.607 -2.724 1.00 0.00 H new ATOM 0 HG SER A 43 -7.384 13.684 -3.722 1.00 0.00 H new ATOM 705 N LEU A 44 -2.235 12.755 -3.522 1.00 0.00 N ATOM 706 CA LEU A 44 -1.025 12.536 -2.742 1.00 0.00 C ATOM 707 C LEU A 44 0.160 12.252 -3.653 1.00 0.00 C ATOM 708 O LEU A 44 1.198 11.764 -3.205 1.00 0.00 O ATOM 709 CB LEU A 44 -1.228 11.404 -1.721 1.00 0.00 C ATOM 710 CG LEU A 44 -1.759 10.071 -2.264 1.00 0.00 C ATOM 711 CD1 LEU A 44 -0.621 9.217 -2.791 1.00 0.00 C ATOM 712 CD2 LEU A 44 -2.523 9.336 -1.175 1.00 0.00 C ATOM 0 H LEU A 44 -2.494 11.976 -4.128 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.808 13.448 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.274 11.215 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.917 11.757 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.438 10.274 -3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.018 8.276 -3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.111 9.747 -3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.085 9.014 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.897 8.391 -1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.859 9.142 -0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.362 9.948 -0.843 1.00 0.00 H new ATOM 724 N LYS A 45 0.019 12.604 -4.925 1.00 0.00 N ATOM 725 CA LYS A 45 1.080 12.357 -5.899 1.00 0.00 C ATOM 726 C LYS A 45 2.165 13.453 -5.813 1.00 0.00 C ATOM 727 O LYS A 45 3.190 13.392 -6.494 1.00 0.00 O ATOM 728 CB LYS A 45 0.494 12.161 -7.330 1.00 0.00 C ATOM 729 CG LYS A 45 1.410 12.573 -8.472 1.00 0.00 C ATOM 730 CD LYS A 45 0.743 12.398 -9.818 1.00 0.00 C ATOM 731 CE LYS A 45 -0.165 13.573 -10.103 1.00 0.00 C ATOM 732 NZ LYS A 45 0.600 14.776 -10.524 1.00 0.00 N ATOM 0 H LYS A 45 -0.811 13.058 -5.306 1.00 0.00 H new ATOM 0 HA LYS A 45 1.578 11.419 -5.655 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.233 11.110 -7.457 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.432 12.731 -7.406 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.704 13.615 -8.345 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.323 11.978 -8.439 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.499 12.314 -10.599 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.168 11.472 -9.830 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.875 13.302 -10.885 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.747 13.807 -9.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.051 15.476 -10.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.078 15.190 -9.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.309 14.505 -11.235 1.00 0.00 H new ATOM 746 N ASN A 46 1.983 14.412 -4.897 1.00 0.00 N ATOM 747 CA ASN A 46 2.963 15.476 -4.710 1.00 0.00 C ATOM 748 C ASN A 46 3.987 15.044 -3.674 1.00 0.00 C ATOM 749 O ASN A 46 5.018 15.692 -3.482 1.00 0.00 O ATOM 750 CB ASN A 46 2.285 16.772 -4.255 1.00 0.00 C ATOM 751 CG ASN A 46 1.404 17.386 -5.325 1.00 0.00 C ATOM 752 OD1 ASN A 46 1.675 17.259 -6.518 1.00 0.00 O ATOM 753 ND2 ASN A 46 0.337 18.048 -4.909 1.00 0.00 N ATOM 0 H ASN A 46 1.172 14.469 -4.281 1.00 0.00 H new ATOM 0 HA ASN A 46 3.457 15.664 -5.663 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.683 16.569 -3.369 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.049 17.493 -3.964 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.295 18.475 -5.587 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.146 18.132 -3.911 1.00 0.00 H new ATOM 760 N SER A 47 3.688 13.933 -3.016 1.00 0.00 N ATOM 761 CA SER A 47 4.533 13.410 -1.962 1.00 0.00 C ATOM 762 C SER A 47 5.844 12.882 -2.547 1.00 0.00 C ATOM 763 O SER A 47 5.834 12.151 -3.542 1.00 0.00 O ATOM 764 CB SER A 47 3.786 12.294 -1.224 1.00 0.00 C ATOM 765 OG SER A 47 2.460 12.689 -0.917 1.00 0.00 O ATOM 0 H SER A 47 2.855 13.374 -3.200 1.00 0.00 H new ATOM 0 HA SER A 47 4.772 14.207 -1.259 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.768 11.394 -1.839 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.316 12.042 -0.306 1.00 0.00 H new ATOM 0 HG SER A 47 1.861 12.415 -1.643 1.00 0.00 H new ATOM 771 N ASN A 48 6.963 13.266 -1.934 1.00 0.00 N ATOM 772 CA ASN A 48 8.284 12.831 -2.383 1.00 0.00 C ATOM 773 C ASN A 48 8.354 11.315 -2.328 1.00 0.00 C ATOM 774 O ASN A 48 7.985 10.716 -1.324 1.00 0.00 O ATOM 775 CB ASN A 48 9.380 13.421 -1.482 1.00 0.00 C ATOM 776 CG ASN A 48 9.302 14.929 -1.357 1.00 0.00 C ATOM 777 OD1 ASN A 48 8.874 15.625 -2.277 1.00 0.00 O ATOM 778 ND2 ASN A 48 9.704 15.444 -0.206 1.00 0.00 N ATOM 0 H ASN A 48 6.980 13.881 -1.120 1.00 0.00 H new ATOM 0 HA ASN A 48 8.443 13.179 -3.404 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.304 12.976 -0.490 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.356 13.146 -1.881 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.665 16.452 -0.057 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.053 14.833 0.532 1.00 0.00 H new ATOM 785 N PRO A 49 8.820 10.670 -3.411 1.00 0.00 N ATOM 786 CA PRO A 49 8.814 9.209 -3.520 1.00 0.00 C ATOM 787 C PRO A 49 9.603 8.515 -2.413 1.00 0.00 C ATOM 788 O PRO A 49 9.351 7.352 -2.119 1.00 0.00 O ATOM 789 CB PRO A 49 9.434 8.922 -4.889 1.00 0.00 C ATOM 790 CG PRO A 49 10.108 10.187 -5.302 1.00 0.00 C ATOM 791 CD PRO A 49 9.378 11.311 -4.617 1.00 0.00 C ATOM 0 HA PRO A 49 7.801 8.821 -3.416 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.147 8.100 -4.831 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.671 8.632 -5.611 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.159 10.177 -5.015 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.075 10.307 -6.385 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.050 12.131 -4.362 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.594 11.727 -5.251 1.00 0.00 H new ATOM 799 N ASP A 50 10.536 9.222 -1.789 1.00 0.00 N ATOM 800 CA ASP A 50 11.306 8.651 -0.687 1.00 0.00 C ATOM 801 C ASP A 50 10.512 8.708 0.619 1.00 0.00 C ATOM 802 O ASP A 50 10.619 7.817 1.458 1.00 0.00 O ATOM 803 CB ASP A 50 12.648 9.371 -0.512 1.00 0.00 C ATOM 804 CG ASP A 50 13.601 9.153 -1.669 1.00 0.00 C ATOM 805 OD1 ASP A 50 13.412 9.782 -2.735 1.00 0.00 O ATOM 806 OD2 ASP A 50 14.562 8.374 -1.512 1.00 0.00 O ATOM 0 H ASP A 50 10.778 10.185 -2.023 1.00 0.00 H new ATOM 0 HA ASP A 50 11.504 7.608 -0.935 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.467 10.440 -0.396 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.120 9.026 0.408 1.00 0.00 H new ATOM 811 N GLU A 51 9.688 9.741 0.756 1.00 0.00 N ATOM 812 CA GLU A 51 8.885 9.963 1.956 1.00 0.00 C ATOM 813 C GLU A 51 7.432 10.176 1.556 1.00 0.00 C ATOM 814 O GLU A 51 6.913 11.290 1.656 1.00 0.00 O ATOM 815 CB GLU A 51 9.371 11.203 2.721 1.00 0.00 C ATOM 816 CG GLU A 51 10.278 10.897 3.897 1.00 0.00 C ATOM 817 CD GLU A 51 10.570 12.126 4.732 1.00 0.00 C ATOM 818 OE1 GLU A 51 11.475 12.904 4.365 1.00 0.00 O ATOM 819 OE2 GLU A 51 9.891 12.325 5.761 1.00 0.00 O ATOM 0 H GLU A 51 9.557 10.451 0.036 1.00 0.00 H new ATOM 0 HA GLU A 51 8.982 9.089 2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.901 11.857 2.029 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.503 11.756 3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.812 10.137 4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.215 10.478 3.531 1.00 0.00 H new ATOM 826 N ILE A 52 6.773 9.131 1.080 1.00 0.00 N ATOM 827 CA ILE A 52 5.435 9.299 0.547 1.00 0.00 C ATOM 828 C ILE A 52 4.401 9.271 1.663 1.00 0.00 C ATOM 829 O ILE A 52 4.559 8.559 2.656 1.00 0.00 O ATOM 830 CB ILE A 52 5.094 8.255 -0.537 1.00 0.00 C ATOM 831 CG1 ILE A 52 4.665 6.943 0.063 1.00 0.00 C ATOM 832 CG2 ILE A 52 6.291 8.005 -1.430 1.00 0.00 C ATOM 833 CD1 ILE A 52 3.950 6.080 -0.942 1.00 0.00 C ATOM 0 H ILE A 52 7.135 8.178 1.052 1.00 0.00 H new ATOM 0 HA ILE A 52 5.408 10.277 0.066 1.00 0.00 H new ATOM 0 HB ILE A 52 4.268 8.665 -1.118 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.539 6.413 0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.011 7.129 0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.031 7.266 -2.188 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.583 8.936 -1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.121 7.633 -0.830 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.656 5.142 -0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.062 6.600 -1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.614 5.873 -1.781 1.00 0.00 H new ATOM 845 N GLU A 53 3.360 10.067 1.496 1.00 0.00 N ATOM 846 CA GLU A 53 2.347 10.242 2.516 1.00 0.00 C ATOM 847 C GLU A 53 1.081 9.482 2.128 1.00 0.00 C ATOM 848 O GLU A 53 0.429 9.818 1.137 1.00 0.00 O ATOM 849 CB GLU A 53 2.044 11.737 2.652 1.00 0.00 C ATOM 850 CG GLU A 53 1.745 12.206 4.067 1.00 0.00 C ATOM 851 CD GLU A 53 0.813 11.290 4.822 1.00 0.00 C ATOM 852 OE1 GLU A 53 -0.417 11.402 4.633 1.00 0.00 O ATOM 853 OE2 GLU A 53 1.317 10.465 5.612 1.00 0.00 O ATOM 0 H GLU A 53 3.195 10.610 0.648 1.00 0.00 H new ATOM 0 HA GLU A 53 2.706 9.851 3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.895 12.301 2.271 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.191 11.979 2.017 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.682 12.292 4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.307 13.203 4.026 1.00 0.00 H new ATOM 860 N ILE A 54 0.737 8.461 2.899 1.00 0.00 N ATOM 861 CA ILE A 54 -0.479 7.696 2.636 1.00 0.00 C ATOM 862 C ILE A 54 -1.558 8.118 3.616 1.00 0.00 C ATOM 863 O ILE A 54 -1.288 8.259 4.806 1.00 0.00 O ATOM 864 CB ILE A 54 -0.305 6.171 2.798 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.978 5.649 2.148 1.00 0.00 C ATOM 866 CG2 ILE A 54 -1.510 5.459 2.211 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.055 5.832 0.659 1.00 0.00 C ATOM 0 H ILE A 54 1.275 8.143 3.705 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.740 7.904 1.598 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.226 5.964 3.865 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.830 6.152 2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.076 4.587 2.374 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.387 4.382 2.325 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.412 5.779 2.733 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.597 5.704 1.152 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.000 5.431 0.292 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.228 5.304 0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.993 6.894 0.419 1.00 0.00 H new ATOM 879 N ASP A 55 -2.776 8.293 3.133 1.00 0.00 N ATOM 880 CA ASP A 55 -3.877 8.642 4.013 1.00 0.00 C ATOM 881 C ASP A 55 -4.937 7.561 3.945 1.00 0.00 C ATOM 882 O ASP A 55 -5.869 7.635 3.142 1.00 0.00 O ATOM 883 CB ASP A 55 -4.466 9.995 3.628 1.00 0.00 C ATOM 884 CG ASP A 55 -5.411 10.553 4.677 1.00 0.00 C ATOM 885 OD1 ASP A 55 -6.212 9.785 5.252 1.00 0.00 O ATOM 886 OD2 ASP A 55 -5.362 11.775 4.920 1.00 0.00 O ATOM 0 H ASP A 55 -3.026 8.201 2.148 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.506 8.717 5.035 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.655 10.704 3.464 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.999 9.897 2.682 1.00 0.00 H new ATOM 891 N PHE A 56 -4.797 6.561 4.802 1.00 0.00 N ATOM 892 CA PHE A 56 -5.646 5.380 4.755 1.00 0.00 C ATOM 893 C PHE A 56 -7.104 5.698 5.083 1.00 0.00 C ATOM 894 O PHE A 56 -7.981 4.856 4.917 1.00 0.00 O ATOM 895 CB PHE A 56 -5.096 4.303 5.685 1.00 0.00 C ATOM 896 CG PHE A 56 -4.210 3.330 4.967 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.851 3.554 4.831 1.00 0.00 C ATOM 898 CD2 PHE A 56 -4.751 2.199 4.401 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.057 2.655 4.139 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.969 1.304 3.716 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.622 1.526 3.581 1.00 0.00 C ATOM 0 H PHE A 56 -4.097 6.544 5.544 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.634 5.005 3.732 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.535 4.775 6.492 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.925 3.765 6.145 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.407 4.436 5.268 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.810 2.012 4.498 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.997 2.837 4.036 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.415 0.422 3.282 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.007 0.821 3.041 1.00 0.00 H new ATOM 911 N GLU A 57 -7.360 6.922 5.519 1.00 0.00 N ATOM 912 CA GLU A 57 -8.711 7.358 5.816 1.00 0.00 C ATOM 913 C GLU A 57 -9.328 8.096 4.630 1.00 0.00 C ATOM 914 O GLU A 57 -10.447 8.608 4.721 1.00 0.00 O ATOM 915 CB GLU A 57 -8.699 8.250 7.053 1.00 0.00 C ATOM 916 CG GLU A 57 -8.394 7.496 8.334 1.00 0.00 C ATOM 917 CD GLU A 57 -9.549 6.623 8.781 1.00 0.00 C ATOM 918 OE1 GLU A 57 -9.927 5.696 8.035 1.00 0.00 O ATOM 919 OE2 GLU A 57 -10.089 6.866 9.881 1.00 0.00 O ATOM 0 H GLU A 57 -6.644 7.632 5.675 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.324 6.478 6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.957 9.037 6.918 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.668 8.739 7.149 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.510 6.876 8.185 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.154 8.209 9.123 1.00 0.00 H new ATOM 926 N THR A 58 -8.600 8.155 3.518 1.00 0.00 N ATOM 927 CA THR A 58 -9.109 8.814 2.321 1.00 0.00 C ATOM 928 C THR A 58 -8.955 7.945 1.076 1.00 0.00 C ATOM 929 O THR A 58 -9.666 8.150 0.090 1.00 0.00 O ATOM 930 CB THR A 58 -8.418 10.170 2.075 1.00 0.00 C ATOM 931 OG1 THR A 58 -6.998 9.999 2.021 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.767 11.159 3.172 1.00 0.00 C ATOM 0 H THR A 58 -7.665 7.759 3.422 1.00 0.00 H new ATOM 0 HA THR A 58 -10.170 8.982 2.504 1.00 0.00 H new ATOM 0 HB THR A 58 -8.772 10.562 1.122 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.765 9.097 2.325 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.268 12.109 2.978 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.846 11.313 3.193 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.438 10.766 4.134 1.00 0.00 H new ATOM 940 N LEU A 59 -8.034 6.978 1.119 1.00 0.00 N ATOM 941 CA LEU A 59 -7.788 6.114 -0.041 1.00 0.00 C ATOM 942 C LEU A 59 -9.077 5.433 -0.461 1.00 0.00 C ATOM 943 O LEU A 59 -9.873 4.995 0.378 1.00 0.00 O ATOM 944 CB LEU A 59 -6.743 5.019 0.230 1.00 0.00 C ATOM 945 CG LEU A 59 -5.529 5.410 1.069 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.583 4.225 1.203 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.816 6.616 0.470 1.00 0.00 C ATOM 0 H LEU A 59 -7.453 6.775 1.932 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.404 6.765 -0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.244 4.188 0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.385 4.647 -0.730 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.872 5.693 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.720 4.514 1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.102 3.398 1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.248 3.913 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.955 6.873 1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.480 6.376 -0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.502 7.462 0.433 1.00 0.00 H new ATOM 959 N LYS A 60 -9.273 5.361 -1.758 1.00 0.00 N ATOM 960 CA LYS A 60 -10.426 4.704 -2.339 1.00 0.00 C ATOM 961 C LYS A 60 -10.416 3.219 -1.983 1.00 0.00 C ATOM 962 O LYS A 60 -9.352 2.609 -1.848 1.00 0.00 O ATOM 963 CB LYS A 60 -10.381 4.895 -3.857 1.00 0.00 C ATOM 964 CG LYS A 60 -10.223 6.348 -4.281 1.00 0.00 C ATOM 965 CD LYS A 60 -10.091 6.484 -5.786 1.00 0.00 C ATOM 966 CE LYS A 60 -9.805 7.923 -6.183 1.00 0.00 C ATOM 967 NZ LYS A 60 -8.490 8.397 -5.663 1.00 0.00 N ATOM 0 H LYS A 60 -8.633 5.759 -2.446 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.344 5.139 -1.944 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.554 4.314 -4.264 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.296 4.495 -4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.084 6.922 -3.938 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.343 6.774 -3.799 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.289 5.839 -6.143 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.009 6.147 -6.267 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.817 8.008 -7.270 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.598 8.568 -5.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.312 9.365 -5.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.505 8.389 -4.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.735 7.768 -6.004 1.00 0.00 H new ATOM 981 N PRO A 61 -11.612 2.622 -1.814 1.00 0.00 N ATOM 982 CA PRO A 61 -11.750 1.198 -1.483 1.00 0.00 C ATOM 983 C PRO A 61 -11.052 0.312 -2.505 1.00 0.00 C ATOM 984 O PRO A 61 -10.594 -0.786 -2.189 1.00 0.00 O ATOM 985 CB PRO A 61 -13.262 0.950 -1.520 1.00 0.00 C ATOM 986 CG PRO A 61 -13.905 2.292 -1.405 1.00 0.00 C ATOM 987 CD PRO A 61 -12.917 3.300 -1.932 1.00 0.00 C ATOM 0 HA PRO A 61 -11.296 0.962 -0.520 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.553 0.457 -2.447 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.570 0.299 -0.702 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.832 2.326 -1.977 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.162 2.509 -0.368 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.135 3.568 -2.966 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.941 4.222 -1.352 1.00 0.00 H new ATOM 995 N SER A 62 -10.969 0.809 -3.727 1.00 0.00 N ATOM 996 CA SER A 62 -10.303 0.100 -4.801 1.00 0.00 C ATOM 997 C SER A 62 -8.790 0.144 -4.611 1.00 0.00 C ATOM 998 O SER A 62 -8.091 -0.834 -4.875 1.00 0.00 O ATOM 999 CB SER A 62 -10.701 0.719 -6.138 1.00 0.00 C ATOM 1000 OG SER A 62 -10.635 2.136 -6.081 1.00 0.00 O ATOM 0 H SER A 62 -11.360 1.711 -4.000 1.00 0.00 H new ATOM 0 HA SER A 62 -10.610 -0.946 -4.789 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.041 0.352 -6.924 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.712 0.408 -6.400 1.00 0.00 H new ATOM 0 HG SER A 62 -11.510 2.494 -5.824 1.00 0.00 H new ATOM 1006 N THR A 63 -8.299 1.284 -4.138 1.00 0.00 N ATOM 1007 CA THR A 63 -6.888 1.449 -3.837 1.00 0.00 C ATOM 1008 C THR A 63 -6.481 0.477 -2.740 1.00 0.00 C ATOM 1009 O THR A 63 -5.515 -0.266 -2.887 1.00 0.00 O ATOM 1010 CB THR A 63 -6.572 2.900 -3.395 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.335 3.816 -4.192 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.095 3.213 -3.568 1.00 0.00 C ATOM 0 H THR A 63 -8.866 2.112 -3.955 1.00 0.00 H new ATOM 0 HA THR A 63 -6.320 1.240 -4.744 1.00 0.00 H new ATOM 0 HB THR A 63 -6.832 3.001 -2.341 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.605 4.581 -3.642 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.901 4.237 -3.251 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.504 2.527 -2.961 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.819 3.100 -4.616 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.260 0.455 -1.665 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.999 -0.432 -0.536 1.00 0.00 C ATOM 1022 C LEU A 64 -6.980 -1.893 -0.969 1.00 0.00 C ATOM 1023 O LEU A 64 -6.134 -2.665 -0.530 1.00 0.00 O ATOM 1024 CB LEU A 64 -8.056 -0.231 0.555 1.00 0.00 C ATOM 1025 CG LEU A 64 -8.008 1.119 1.272 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -9.182 1.275 2.224 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -6.712 1.262 2.036 1.00 0.00 C ATOM 0 H LEU A 64 -8.084 1.046 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.016 -0.180 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.043 -0.351 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.943 -1.022 1.297 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.069 1.901 0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.122 2.244 2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.115 1.211 1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.152 0.482 2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.692 2.228 2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.635 0.464 2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.873 1.197 1.344 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.884 -2.258 -1.860 1.00 0.00 N ATOM 1040 CA ARG A 65 -8.009 -3.647 -2.283 1.00 0.00 C ATOM 1041 C ARG A 65 -6.942 -4.005 -3.311 1.00 0.00 C ATOM 1042 O ARG A 65 -6.724 -5.177 -3.599 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.408 -3.916 -2.841 1.00 0.00 C ATOM 1044 CG ARG A 65 -10.404 -4.467 -1.817 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.975 -5.784 -1.182 1.00 0.00 C ATOM 1046 NE ARG A 65 -11.132 -6.457 -0.582 1.00 0.00 N ATOM 1047 CZ ARG A 65 -11.124 -7.117 0.577 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -10.017 -7.231 1.296 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -12.245 -7.671 1.015 1.00 0.00 N ATOM 0 H ARG A 65 -8.541 -1.617 -2.305 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.859 -4.280 -1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.806 -2.989 -3.253 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.326 -4.623 -3.667 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.548 -3.726 -1.031 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.369 -4.607 -2.303 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.520 -6.428 -1.935 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.217 -5.599 -0.421 1.00 0.00 H new ATOM 0 HE ARG A 65 -12.014 -6.417 -1.092 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.149 -6.810 0.966 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.033 -7.740 2.180 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -13.102 -7.590 0.467 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -12.251 -8.178 1.900 1.00 0.00 H new ATOM 1063 N GLU A 66 -6.284 -2.996 -3.864 1.00 0.00 N ATOM 1064 CA GLU A 66 -5.161 -3.218 -4.752 1.00 0.00 C ATOM 1065 C GLU A 66 -3.872 -3.300 -3.940 1.00 0.00 C ATOM 1066 O GLU A 66 -3.011 -4.138 -4.204 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.095 -2.098 -5.794 1.00 0.00 C ATOM 1068 CG GLU A 66 -3.846 -2.113 -6.659 1.00 0.00 C ATOM 1069 CD GLU A 66 -3.783 -3.295 -7.607 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -3.301 -4.372 -7.205 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -4.202 -3.140 -8.774 1.00 0.00 O ATOM 0 H GLU A 66 -6.513 -2.014 -3.710 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.289 -4.163 -5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.970 -2.169 -6.440 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.155 -1.138 -5.281 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.803 -1.190 -7.238 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.967 -2.127 -6.015 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.771 -2.454 -2.920 1.00 0.00 N ATOM 1079 CA LEU A 67 -2.614 -2.441 -2.046 1.00 0.00 C ATOM 1080 C LEU A 67 -2.566 -3.754 -1.280 1.00 0.00 C ATOM 1081 O LEU A 67 -1.574 -4.479 -1.314 1.00 0.00 O ATOM 1082 CB LEU A 67 -2.732 -1.268 -1.060 1.00 0.00 C ATOM 1083 CG LEU A 67 -2.927 0.104 -1.702 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.052 1.180 -0.632 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -1.789 0.414 -2.656 1.00 0.00 C ATOM 0 H LEU A 67 -4.485 -1.766 -2.681 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.703 -2.323 -2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.570 -1.460 -0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.832 -1.239 -0.445 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.853 0.089 -2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.190 2.151 -1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.909 0.962 0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.146 1.198 -0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.946 1.396 -3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.846 0.411 -2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.756 -0.341 -3.441 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.689 -4.067 -0.643 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.809 -5.249 0.202 1.00 0.00 C ATOM 1099 C GLU A 68 -3.669 -6.535 -0.611 1.00 0.00 C ATOM 1100 O GLU A 68 -2.860 -7.401 -0.269 1.00 0.00 O ATOM 1101 CB GLU A 68 -5.155 -5.248 0.920 1.00 0.00 C ATOM 1102 CG GLU A 68 -5.316 -6.391 1.898 1.00 0.00 C ATOM 1103 CD GLU A 68 -6.753 -6.844 2.011 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -7.512 -6.650 1.038 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -7.128 -7.411 3.059 1.00 0.00 O ATOM 0 H GLU A 68 -4.541 -3.509 -0.698 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.001 -5.214 0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.273 -4.304 1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.953 -5.298 0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.696 -7.229 1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.956 -6.082 2.879 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.467 -6.669 -1.677 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.407 -7.867 -2.526 1.00 0.00 C ATOM 1114 C ARG A 69 -2.985 -8.141 -3.012 1.00 0.00 C ATOM 1115 O ARG A 69 -2.550 -9.290 -3.084 1.00 0.00 O ATOM 1116 CB ARG A 69 -5.334 -7.742 -3.734 1.00 0.00 C ATOM 1117 CG ARG A 69 -5.362 -8.991 -4.590 1.00 0.00 C ATOM 1118 CD ARG A 69 -5.722 -8.669 -6.031 1.00 0.00 C ATOM 1119 NE ARG A 69 -4.835 -7.646 -6.595 1.00 0.00 N ATOM 1120 CZ ARG A 69 -4.058 -7.826 -7.665 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -4.023 -9.000 -8.285 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -3.313 -6.824 -8.111 1.00 0.00 N ATOM 0 H ARG A 69 -5.153 -5.974 -1.970 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.737 -8.702 -1.908 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.344 -7.522 -3.389 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.015 -6.897 -4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.387 -9.478 -4.557 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.085 -9.697 -4.182 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.661 -9.576 -6.633 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.754 -8.323 -6.080 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.810 -6.734 -6.138 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.593 -9.774 -7.944 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.426 -9.128 -9.102 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.336 -5.921 -7.637 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.717 -6.956 -8.928 1.00 0.00 H new ATOM 1136 N TYR A 70 -2.258 -7.084 -3.322 1.00 0.00 N ATOM 1137 CA TYR A 70 -0.919 -7.225 -3.864 1.00 0.00 C ATOM 1138 C TYR A 70 0.081 -7.597 -2.777 1.00 0.00 C ATOM 1139 O TYR A 70 0.894 -8.501 -2.959 1.00 0.00 O ATOM 1140 CB TYR A 70 -0.494 -5.935 -4.568 1.00 0.00 C ATOM 1141 CG TYR A 70 0.995 -5.827 -4.802 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.614 -6.457 -5.874 1.00 0.00 C ATOM 1143 CD2 TYR A 70 1.778 -5.095 -3.928 1.00 0.00 C ATOM 1144 CE1 TYR A 70 2.978 -6.356 -6.067 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.143 -4.987 -4.111 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.738 -5.620 -5.182 1.00 0.00 C ATOM 1147 OH TYR A 70 5.099 -5.519 -5.362 1.00 0.00 O ATOM 0 H TYR A 70 -2.571 -6.120 -3.208 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.933 -8.035 -4.593 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.008 -5.870 -5.527 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.821 -5.083 -3.972 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.020 -7.034 -6.567 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.314 -4.599 -3.088 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.446 -6.850 -6.905 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.740 -4.411 -3.420 1.00 0.00 H new ATOM 0 HH TYR A 70 5.456 -4.820 -4.775 1.00 0.00 H new ATOM 1157 N VAL A 71 0.029 -6.912 -1.650 1.00 0.00 N ATOM 1158 CA VAL A 71 0.978 -7.173 -0.580 1.00 0.00 C ATOM 1159 C VAL A 71 0.786 -8.563 0.000 1.00 0.00 C ATOM 1160 O VAL A 71 1.753 -9.289 0.190 1.00 0.00 O ATOM 1161 CB VAL A 71 0.891 -6.133 0.544 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.220 -4.753 0.024 1.00 0.00 C ATOM 1163 CG2 VAL A 71 -0.474 -6.139 1.190 1.00 0.00 C ATOM 0 H VAL A 71 -0.651 -6.178 -1.451 1.00 0.00 H new ATOM 0 HA VAL A 71 1.969 -7.104 -1.029 1.00 0.00 H new ATOM 0 HB VAL A 71 1.626 -6.403 1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.152 -4.032 0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.232 -4.749 -0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.514 -4.482 -0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.505 -5.391 1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.232 -5.906 0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.672 -7.124 1.612 1.00 0.00 H new ATOM 1173 N THR A 72 -0.465 -8.941 0.250 1.00 0.00 N ATOM 1174 CA THR A 72 -0.770 -10.246 0.822 1.00 0.00 C ATOM 1175 C THR A 72 -0.241 -11.358 -0.078 1.00 0.00 C ATOM 1176 O THR A 72 0.177 -12.410 0.397 1.00 0.00 O ATOM 1177 CB THR A 72 -2.290 -10.419 1.072 1.00 0.00 C ATOM 1178 OG1 THR A 72 -2.527 -11.522 1.958 1.00 0.00 O ATOM 1179 CG2 THR A 72 -3.043 -10.650 -0.224 1.00 0.00 C ATOM 0 H THR A 72 -1.283 -8.361 0.065 1.00 0.00 H new ATOM 0 HA THR A 72 -0.270 -10.311 1.789 1.00 0.00 H new ATOM 0 HB THR A 72 -2.653 -9.497 1.526 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.490 -11.619 2.109 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.106 -10.767 -0.011 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.897 -9.797 -0.886 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.668 -11.552 -0.707 1.00 0.00 H new ATOM 1187 N SER A 73 -0.211 -11.091 -1.378 1.00 0.00 N ATOM 1188 CA SER A 73 0.310 -12.048 -2.339 1.00 0.00 C ATOM 1189 C SER A 73 1.821 -12.212 -2.152 1.00 0.00 C ATOM 1190 O SER A 73 2.380 -13.271 -2.417 1.00 0.00 O ATOM 1191 CB SER A 73 -0.016 -11.594 -3.772 1.00 0.00 C ATOM 1192 OG SER A 73 0.958 -10.695 -4.278 1.00 0.00 O ATOM 0 H SER A 73 -0.542 -10.218 -1.789 1.00 0.00 H new ATOM 0 HA SER A 73 -0.165 -13.014 -2.170 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.078 -12.466 -4.423 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.995 -11.114 -3.787 1.00 0.00 H new ATOM 0 HG SER A 73 1.154 -10.012 -3.604 1.00 0.00 H new ATOM 1198 N CYS A 74 2.463 -11.151 -1.670 1.00 0.00 N ATOM 1199 CA CYS A 74 3.910 -11.134 -1.476 1.00 0.00 C ATOM 1200 C CYS A 74 4.291 -11.641 -0.081 1.00 0.00 C ATOM 1201 O CYS A 74 5.215 -12.443 0.060 1.00 0.00 O ATOM 1202 CB CYS A 74 4.450 -9.716 -1.691 1.00 0.00 C ATOM 1203 SG CYS A 74 6.249 -9.576 -1.567 1.00 0.00 S ATOM 0 H CYS A 74 1.998 -10.283 -1.404 1.00 0.00 H new ATOM 0 HA CYS A 74 4.359 -11.804 -2.209 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.137 -9.366 -2.675 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.994 -9.051 -0.957 1.00 0.00 H new ATOM 0 HG CYS A 74 6.717 -10.585 -0.895 1.00 0.00 H new ATOM 1209 N LEU A 75 3.592 -11.152 0.945 1.00 0.00 N ATOM 1210 CA LEU A 75 3.810 -11.598 2.326 1.00 0.00 C ATOM 1211 C LEU A 75 3.684 -13.110 2.426 1.00 0.00 C ATOM 1212 O LEU A 75 4.448 -13.770 3.133 1.00 0.00 O ATOM 1213 CB LEU A 75 2.787 -10.965 3.271 1.00 0.00 C ATOM 1214 CG LEU A 75 2.406 -9.533 2.960 1.00 0.00 C ATOM 1215 CD1 LEU A 75 1.221 -9.121 3.805 1.00 0.00 C ATOM 1216 CD2 LEU A 75 3.589 -8.622 3.203 1.00 0.00 C ATOM 0 H LEU A 75 2.866 -10.443 0.846 1.00 0.00 H new ATOM 0 HA LEU A 75 4.815 -11.289 2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.883 -11.573 3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.184 -11.004 4.286 1.00 0.00 H new ATOM 0 HG LEU A 75 2.122 -9.452 1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.952 -8.090 3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.375 -9.773 3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.481 -9.203 4.860 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.308 -7.593 2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.895 -8.694 4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.417 -8.921 2.560 1.00 0.00 H new ATOM 1228 N ARG A 76 2.715 -13.649 1.700 1.00 0.00 N ATOM 1229 CA ARG A 76 2.423 -15.072 1.729 1.00 0.00 C ATOM 1230 C ARG A 76 3.320 -15.843 0.764 1.00 0.00 C ATOM 1231 O ARG A 76 3.049 -16.996 0.429 1.00 0.00 O ATOM 1232 CB ARG A 76 0.948 -15.290 1.408 1.00 0.00 C ATOM 1233 CG ARG A 76 0.036 -14.764 2.500 1.00 0.00 C ATOM 1234 CD ARG A 76 -1.400 -14.640 2.031 1.00 0.00 C ATOM 1235 NE ARG A 76 -2.011 -15.934 1.741 1.00 0.00 N ATOM 1236 CZ ARG A 76 -3.325 -16.146 1.759 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -4.154 -15.152 2.062 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -3.808 -17.346 1.482 1.00 0.00 N ATOM 0 H ARG A 76 2.112 -13.113 1.077 1.00 0.00 H new ATOM 0 HA ARG A 76 2.630 -15.456 2.728 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.707 -14.796 0.467 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.763 -16.355 1.265 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.080 -15.431 3.361 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.394 -13.790 2.833 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.985 -14.130 2.796 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.433 -14.018 1.136 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.399 -16.717 1.513 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.783 -14.227 2.281 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.161 -15.314 2.076 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.173 -18.111 1.254 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.815 -17.506 1.496 1.00 0.00 H new ATOM 1252 N LYS A 77 4.383 -15.188 0.318 1.00 0.00 N ATOM 1253 CA LYS A 77 5.420 -15.833 -0.475 1.00 0.00 C ATOM 1254 C LYS A 77 6.752 -15.734 0.249 1.00 0.00 C ATOM 1255 O LYS A 77 6.966 -14.802 1.028 1.00 0.00 O ATOM 1256 CB LYS A 77 5.536 -15.201 -1.858 1.00 0.00 C ATOM 1257 CG LYS A 77 4.457 -15.660 -2.815 1.00 0.00 C ATOM 1258 CD LYS A 77 4.488 -14.857 -4.104 1.00 0.00 C ATOM 1259 CE LYS A 77 3.380 -15.266 -5.058 1.00 0.00 C ATOM 1260 NZ LYS A 77 3.409 -14.456 -6.304 1.00 0.00 N ATOM 0 H LYS A 77 4.550 -14.198 0.495 1.00 0.00 H new ATOM 0 HA LYS A 77 5.147 -16.880 -0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.489 -14.116 -1.760 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.512 -15.441 -2.279 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.592 -16.718 -3.039 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.480 -15.557 -2.342 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.393 -13.796 -3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.454 -14.992 -4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.484 -16.322 -5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.414 -15.147 -4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.640 -14.760 -6.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.286 -13.451 -6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.322 -14.589 -6.784 1.00 0.00 H new ATOM 1274 N LYS A 78 7.643 -16.683 0.002 1.00 0.00 N ATOM 1275 CA LYS A 78 8.935 -16.700 0.669 1.00 0.00 C ATOM 1276 C LYS A 78 10.058 -17.037 -0.304 1.00 0.00 C ATOM 1277 O LYS A 78 9.835 -17.708 -1.314 1.00 0.00 O ATOM 1278 CB LYS A 78 8.932 -17.702 1.829 1.00 0.00 C ATOM 1279 CG LYS A 78 8.039 -17.293 2.989 1.00 0.00 C ATOM 1280 CD LYS A 78 8.564 -16.049 3.689 1.00 0.00 C ATOM 1281 CE LYS A 78 7.624 -15.595 4.792 1.00 0.00 C ATOM 1282 NZ LYS A 78 8.095 -14.345 5.441 1.00 0.00 N ATOM 0 H LYS A 78 7.495 -17.450 -0.654 1.00 0.00 H new ATOM 0 HA LYS A 78 9.113 -15.700 1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.607 -18.674 1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.952 -17.825 2.193 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.029 -17.106 2.623 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.973 -18.113 3.704 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.548 -16.255 4.110 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.689 -15.246 2.962 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.628 -15.436 4.378 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.536 -16.382 5.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.426 -14.068 6.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.034 -14.503 5.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.155 -13.587 4.732 1.00 0.00 H new ATOM 1296 N ARG A 79 11.259 -16.556 0.017 1.00 0.00 N ATOM 1297 CA ARG A 79 12.465 -16.820 -0.772 1.00 0.00 C ATOM 1298 C ARG A 79 12.350 -16.277 -2.189 1.00 0.00 C ATOM 1299 O ARG A 79 12.863 -16.870 -3.141 1.00 0.00 O ATOM 1300 CB ARG A 79 12.808 -18.317 -0.802 1.00 0.00 C ATOM 1301 CG ARG A 79 13.492 -18.822 0.463 1.00 0.00 C ATOM 1302 CD ARG A 79 12.556 -18.807 1.657 1.00 0.00 C ATOM 1303 NE ARG A 79 13.246 -19.133 2.901 1.00 0.00 N ATOM 1304 CZ ARG A 79 12.643 -19.631 3.975 1.00 0.00 C ATOM 1305 NH1 ARG A 79 11.343 -19.899 3.943 1.00 0.00 N ATOM 1306 NH2 ARG A 79 13.338 -19.866 5.079 1.00 0.00 N ATOM 0 H ARG A 79 11.425 -15.970 0.835 1.00 0.00 H new ATOM 0 HA ARG A 79 13.279 -16.292 -0.275 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.892 -18.886 -0.959 1.00 0.00 H new ATOM 0 HB3 ARG A 79 13.456 -18.514 -1.656 1.00 0.00 H new ATOM 0 HG2 ARG A 79 13.855 -19.837 0.299 1.00 0.00 H new ATOM 0 HG3 ARG A 79 14.363 -18.203 0.677 1.00 0.00 H new ATOM 0 HD2 ARG A 79 12.097 -17.822 1.745 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.749 -19.521 1.493 1.00 0.00 H new ATOM 0 HE ARG A 79 14.252 -18.969 2.949 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.807 -19.723 3.094 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.881 -20.281 4.768 1.00 0.00 H new ATOM 0 HH21 ARG A 79 14.338 -19.664 5.105 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.873 -20.248 5.903 1.00 0.00 H new ATOM 1320 N LYS A 80 11.695 -15.135 -2.317 1.00 0.00 N ATOM 1321 CA LYS A 80 11.579 -14.456 -3.603 1.00 0.00 C ATOM 1322 C LYS A 80 11.224 -12.972 -3.426 1.00 0.00 C ATOM 1323 O LYS A 80 10.217 -12.495 -3.958 1.00 0.00 O ATOM 1324 CB LYS A 80 10.542 -15.159 -4.492 1.00 0.00 C ATOM 1325 CG LYS A 80 9.180 -15.353 -3.839 1.00 0.00 C ATOM 1326 CD LYS A 80 8.197 -16.031 -4.785 1.00 0.00 C ATOM 1327 CE LYS A 80 8.634 -17.446 -5.142 1.00 0.00 C ATOM 1328 NZ LYS A 80 7.718 -18.079 -6.129 1.00 0.00 N ATOM 0 H LYS A 80 11.233 -14.655 -1.545 1.00 0.00 H new ATOM 0 HA LYS A 80 12.551 -14.507 -4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.413 -14.580 -5.406 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.933 -16.134 -4.784 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.291 -15.954 -2.936 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.782 -14.386 -3.531 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.211 -16.062 -4.322 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.103 -15.440 -5.696 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.645 -17.422 -5.549 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.669 -18.054 -4.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.051 -19.040 -6.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.758 -18.126 -5.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.704 -17.514 -7.002 1.00 0.00 H new ATOM 1342 N PRO A 81 12.054 -12.209 -2.685 1.00 0.00 N ATOM 1343 CA PRO A 81 11.813 -10.781 -2.466 1.00 0.00 C ATOM 1344 C PRO A 81 12.066 -9.955 -3.723 1.00 0.00 C ATOM 1345 O PRO A 81 11.409 -8.942 -3.951 1.00 0.00 O ATOM 1346 CB PRO A 81 12.810 -10.414 -1.365 1.00 0.00 C ATOM 1347 CG PRO A 81 13.919 -11.392 -1.524 1.00 0.00 C ATOM 1348 CD PRO A 81 13.281 -12.668 -2.000 1.00 0.00 C ATOM 0 HA PRO A 81 10.776 -10.577 -2.198 1.00 0.00 H new ATOM 0 HB2 PRO A 81 13.165 -9.390 -1.477 1.00 0.00 H new ATOM 0 HB3 PRO A 81 12.355 -10.487 -0.377 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.656 -11.033 -2.242 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.442 -11.546 -0.580 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.937 -13.216 -2.677 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.051 -13.335 -1.169 1.00 0.00 H new ATOM 1356 N GLN A 82 13.007 -10.409 -4.539 1.00 0.00 N ATOM 1357 CA GLN A 82 13.363 -9.717 -5.770 1.00 0.00 C ATOM 1358 C GLN A 82 12.723 -10.420 -6.966 1.00 0.00 C ATOM 1359 O GLN A 82 13.193 -11.473 -7.400 1.00 0.00 O ATOM 1360 CB GLN A 82 14.888 -9.685 -5.915 1.00 0.00 C ATOM 1361 CG GLN A 82 15.385 -8.955 -7.149 1.00 0.00 C ATOM 1362 CD GLN A 82 16.895 -8.986 -7.268 1.00 0.00 C ATOM 1363 OE1 GLN A 82 17.589 -8.102 -6.766 1.00 0.00 O ATOM 1364 NE2 GLN A 82 17.415 -10.008 -7.929 1.00 0.00 N ATOM 0 H GLN A 82 13.542 -11.261 -4.369 1.00 0.00 H new ATOM 0 HA GLN A 82 12.991 -8.693 -5.734 1.00 0.00 H new ATOM 0 HB2 GLN A 82 15.315 -9.211 -5.031 1.00 0.00 H new ATOM 0 HB3 GLN A 82 15.260 -10.709 -5.939 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.944 -9.406 -8.038 1.00 0.00 H new ATOM 0 HG3 GLN A 82 15.047 -7.919 -7.116 1.00 0.00 H new ATOM 0 HE21 GLN A 82 16.804 -10.720 -8.330 1.00 0.00 H new ATOM 0 HE22 GLN A 82 18.426 -10.084 -8.037 1.00 0.00 H new ATOM 1373 N ALA A 83 11.654 -9.841 -7.492 1.00 0.00 N ATOM 1374 CA ALA A 83 10.922 -10.448 -8.595 1.00 0.00 C ATOM 1375 C ALA A 83 10.245 -9.382 -9.452 1.00 0.00 C ATOM 1376 O ALA A 83 9.050 -9.091 -9.227 1.00 0.00 O ATOM 1377 CB ALA A 83 9.898 -11.443 -8.066 1.00 0.00 C ATOM 1378 OXT ALA A 83 10.917 -8.831 -10.349 1.00 0.00 O ATOM 0 H ALA A 83 11.273 -8.950 -7.173 1.00 0.00 H new ATOM 0 HA ALA A 83 11.633 -10.983 -9.225 1.00 0.00 H new ATOM 0 HB1 ALA A 83 9.358 -11.889 -8.902 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.408 -12.226 -7.504 1.00 0.00 H new ATOM 0 HB3 ALA A 83 9.194 -10.928 -7.413 1.00 0.00 H new TER 1384 ALA A 83 ATOM 1385 N GLU B 201 -6.402 8.711 12.924 1.00 0.00 N ATOM 1386 CA GLU B 201 -5.790 8.848 11.582 1.00 0.00 C ATOM 1387 C GLU B 201 -4.836 7.692 11.317 1.00 0.00 C ATOM 1388 O GLU B 201 -4.232 7.157 12.247 1.00 0.00 O ATOM 1389 CB GLU B 201 -5.022 10.166 11.475 1.00 0.00 C ATOM 1390 CG GLU B 201 -5.861 11.399 11.753 1.00 0.00 C ATOM 1391 CD GLU B 201 -5.063 12.676 11.608 1.00 0.00 C ATOM 1392 OE1 GLU B 201 -4.284 13.005 12.525 1.00 0.00 O ATOM 1393 OE2 GLU B 201 -5.194 13.349 10.567 1.00 0.00 O ATOM 0 HA GLU B 201 -6.590 8.837 10.842 1.00 0.00 H new ATOM 0 HB2 GLU B 201 -4.186 10.144 12.174 1.00 0.00 H new ATOM 0 HB3 GLU B 201 -4.599 10.247 10.474 1.00 0.00 H new ATOM 0 HG2 GLU B 201 -6.708 11.422 11.068 1.00 0.00 H new ATOM 0 HG3 GLU B 201 -6.268 11.339 12.762 1.00 0.00 H new ATOM 1402 N ILE B 202 -4.702 7.309 10.055 1.00 0.00 N ATOM 1403 CA ILE B 202 -3.765 6.261 9.669 1.00 0.00 C ATOM 1404 C ILE B 202 -2.908 6.733 8.499 1.00 0.00 C ATOM 1405 O ILE B 202 -3.375 6.803 7.358 1.00 0.00 O ATOM 1406 CB ILE B 202 -4.485 4.945 9.283 1.00 0.00 C ATOM 1407 CG1 ILE B 202 -5.254 4.368 10.475 1.00 0.00 C ATOM 1408 CG2 ILE B 202 -3.484 3.919 8.761 1.00 0.00 C ATOM 1409 CD1 ILE B 202 -4.363 3.891 11.604 1.00 0.00 C ATOM 0 H ILE B 202 -5.231 7.708 9.279 1.00 0.00 H new ATOM 0 HA ILE B 202 -3.136 6.055 10.535 1.00 0.00 H new ATOM 0 HB ILE B 202 -5.199 5.175 8.492 1.00 0.00 H new ATOM 0 HG12 ILE B 202 -5.935 5.128 10.858 1.00 0.00 H new ATOM 0 HG13 ILE B 202 -5.867 3.535 10.131 1.00 0.00 H new ATOM 0 HG21 ILE B 202 -4.009 3.001 8.495 1.00 0.00 H new ATOM 0 HG22 ILE B 202 -2.981 4.317 7.880 1.00 0.00 H new ATOM 0 HG23 ILE B 202 -2.746 3.704 9.534 1.00 0.00 H new ATOM 0 HD11 ILE B 202 -4.979 3.496 12.412 1.00 0.00 H new ATOM 0 HD12 ILE B 202 -3.699 3.108 11.238 1.00 0.00 H new ATOM 0 HD13 ILE B 202 -3.769 4.726 11.976 1.00 0.00 H new ATOM 1421 N LYS B 203 -1.664 7.073 8.796 1.00 0.00 N ATOM 1422 CA LYS B 203 -0.724 7.518 7.776 1.00 0.00 C ATOM 1423 C LYS B 203 0.368 6.477 7.580 1.00 0.00 C ATOM 1424 O LYS B 203 0.729 5.765 8.519 1.00 0.00 O ATOM 1425 CB LYS B 203 -0.090 8.857 8.164 1.00 0.00 C ATOM 1426 CG LYS B 203 -1.069 10.018 8.209 1.00 0.00 C ATOM 1427 CD LYS B 203 -0.366 11.318 8.570 1.00 0.00 C ATOM 1428 CE LYS B 203 -1.332 12.491 8.595 1.00 0.00 C ATOM 1429 NZ LYS B 203 -2.441 12.276 9.561 1.00 0.00 N ATOM 0 H LYS B 203 -1.279 7.049 9.740 1.00 0.00 H new ATOM 0 HA LYS B 203 -1.274 7.648 6.844 1.00 0.00 H new ATOM 0 HB2 LYS B 203 0.380 8.754 9.142 1.00 0.00 H new ATOM 0 HB3 LYS B 203 0.702 9.091 7.453 1.00 0.00 H new ATOM 0 HG2 LYS B 203 -1.557 10.123 7.240 1.00 0.00 H new ATOM 0 HG3 LYS B 203 -1.851 9.810 8.939 1.00 0.00 H new ATOM 0 HD2 LYS B 203 0.108 11.216 9.546 1.00 0.00 H new ATOM 0 HD3 LYS B 203 0.427 11.515 7.849 1.00 0.00 H new ATOM 0 HE2 LYS B 203 -0.792 13.400 8.859 1.00 0.00 H new ATOM 0 HE3 LYS B 203 -1.744 12.643 7.597 1.00 0.00 H new ATOM 0 HZ1 LYS B 203 -2.948 13.171 9.712 1.00 0.00 H new ATOM 0 HZ2 LYS B 203 -3.099 11.566 9.182 1.00 0.00 H new ATOM 0 HZ3 LYS B 203 -2.053 11.940 10.466 1.00 0.00 H new ATOM 1443 N LEU B 204 0.892 6.392 6.371 1.00 0.00 N ATOM 1444 CA LEU B 204 1.960 5.450 6.068 1.00 0.00 C ATOM 1445 C LEU B 204 3.089 6.177 5.347 1.00 0.00 C ATOM 1446 O LEU B 204 3.040 6.369 4.135 1.00 0.00 O ATOM 1447 CB LEU B 204 1.440 4.313 5.178 1.00 0.00 C ATOM 1448 CG LEU B 204 2.142 2.946 5.297 1.00 0.00 C ATOM 1449 CD1 LEU B 204 1.787 2.077 4.102 1.00 0.00 C ATOM 1450 CD2 LEU B 204 3.654 3.078 5.412 1.00 0.00 C ATOM 0 H LEU B 204 0.596 6.964 5.580 1.00 0.00 H new ATOM 0 HA LEU B 204 2.327 5.026 7.003 1.00 0.00 H new ATOM 0 HB2 LEU B 204 0.382 4.169 5.398 1.00 0.00 H new ATOM 0 HB3 LEU B 204 1.509 4.638 4.140 1.00 0.00 H new ATOM 0 HG LEU B 204 1.787 2.478 6.215 1.00 0.00 H new ATOM 0 HD11 LEU B 204 2.286 1.112 4.192 1.00 0.00 H new ATOM 0 HD12 LEU B 204 0.708 1.925 4.070 1.00 0.00 H new ATOM 0 HD13 LEU B 204 2.112 2.569 3.185 1.00 0.00 H new ATOM 0 HD21 LEU B 204 4.101 2.087 5.493 1.00 0.00 H new ATOM 0 HD22 LEU B 204 4.044 3.580 4.527 1.00 0.00 H new ATOM 0 HD23 LEU B 204 3.902 3.662 6.299 1.00 0.00 H new ATOM 1462 N LYS B 205 4.097 6.593 6.086 1.00 0.00 N ATOM 1463 CA LYS B 205 5.271 7.189 5.475 1.00 0.00 C ATOM 1464 C LYS B 205 6.190 6.101 4.939 1.00 0.00 C ATOM 1465 O LYS B 205 7.200 5.771 5.562 1.00 0.00 O ATOM 1466 CB LYS B 205 6.028 8.061 6.478 1.00 0.00 C ATOM 1467 CG LYS B 205 5.326 9.362 6.823 1.00 0.00 C ATOM 1468 CD LYS B 205 5.226 10.283 5.621 1.00 0.00 C ATOM 1469 CE LYS B 205 4.771 11.669 6.031 1.00 0.00 C ATOM 1470 NZ LYS B 205 3.512 11.629 6.829 1.00 0.00 N ATOM 0 H LYS B 205 4.129 6.531 7.104 1.00 0.00 H new ATOM 0 HA LYS B 205 4.941 7.821 4.651 1.00 0.00 H new ATOM 0 HB2 LYS B 205 6.184 7.491 7.394 1.00 0.00 H new ATOM 0 HB3 LYS B 205 7.014 8.289 6.073 1.00 0.00 H new ATOM 0 HG2 LYS B 205 4.326 9.147 7.200 1.00 0.00 H new ATOM 0 HG3 LYS B 205 5.867 9.866 7.624 1.00 0.00 H new ATOM 0 HD2 LYS B 205 6.195 10.347 5.126 1.00 0.00 H new ATOM 0 HD3 LYS B 205 4.526 9.866 4.897 1.00 0.00 H new ATOM 0 HE2 LYS B 205 5.555 12.150 6.615 1.00 0.00 H new ATOM 0 HE3 LYS B 205 4.617 12.278 5.141 1.00 0.00 H new ATOM 0 HZ1 LYS B 205 3.126 12.591 6.916 1.00 0.00 H new ATOM 0 HZ2 LYS B 205 2.818 11.019 6.352 1.00 0.00 H new ATOM 0 HZ3 LYS B 205 3.713 11.250 7.776 1.00 0.00 H new ATOM 1484 N ILE B 206 5.830 5.522 3.796 1.00 0.00 N ATOM 1485 CA ILE B 206 6.669 4.498 3.195 1.00 0.00 C ATOM 1486 C ILE B 206 7.991 5.119 2.754 1.00 0.00 C ATOM 1487 O ILE B 206 8.001 6.047 1.941 1.00 0.00 O ATOM 1488 CB ILE B 206 6.042 3.810 1.957 1.00 0.00 C ATOM 1489 CG1 ILE B 206 4.555 3.509 2.106 1.00 0.00 C ATOM 1490 CG2 ILE B 206 6.749 2.503 1.743 1.00 0.00 C ATOM 1491 CD1 ILE B 206 3.922 2.955 0.844 1.00 0.00 C ATOM 0 H ILE B 206 4.979 5.741 3.278 1.00 0.00 H new ATOM 0 HA ILE B 206 6.801 3.737 3.965 1.00 0.00 H new ATOM 0 HB ILE B 206 6.152 4.501 1.121 1.00 0.00 H new ATOM 0 HG12 ILE B 206 4.416 2.794 2.917 1.00 0.00 H new ATOM 0 HG13 ILE B 206 4.034 4.422 2.394 1.00 0.00 H new ATOM 0 HG21 ILE B 206 6.325 1.998 0.875 1.00 0.00 H new ATOM 0 HG22 ILE B 206 7.810 2.687 1.574 1.00 0.00 H new ATOM 0 HG23 ILE B 206 6.626 1.874 2.625 1.00 0.00 H new ATOM 0 HD11 ILE B 206 2.864 2.764 1.022 1.00 0.00 H new ATOM 0 HD12 ILE B 206 4.029 3.678 0.035 1.00 0.00 H new ATOM 0 HD13 ILE B 206 4.417 2.024 0.567 1.00 0.00 H new ATOM 1503 N THR B 207 9.096 4.610 3.270 1.00 0.00 N ATOM 1504 CA THR B 207 10.408 5.151 2.943 1.00 0.00 C ATOM 1505 C THR B 207 11.217 4.173 2.089 1.00 0.00 C ATOM 1506 O THR B 207 11.611 3.107 2.563 1.00 0.00 O ATOM 1507 CB THR B 207 11.187 5.500 4.226 1.00 0.00 C ATOM 1508 OG1 THR B 207 11.045 4.442 5.185 1.00 0.00 O ATOM 1509 CG2 THR B 207 10.687 6.806 4.825 1.00 0.00 C ATOM 0 H THR B 207 9.113 3.822 3.918 1.00 0.00 H new ATOM 0 HA THR B 207 10.253 6.061 2.364 1.00 0.00 H new ATOM 0 HB THR B 207 12.239 5.619 3.967 1.00 0.00 H new ATOM 0 HG1 THR B 207 11.198 3.579 4.746 1.00 0.00 H new ATOM 0 HG21 THR B 207 11.252 7.031 5.730 1.00 0.00 H new ATOM 0 HG22 THR B 207 10.821 7.612 4.103 1.00 0.00 H new ATOM 0 HG23 THR B 207 9.629 6.712 5.072 1.00 0.00 H new ATOM 1517 N LYS B 208 11.451 4.539 0.825 1.00 0.00 N ATOM 1518 CA LYS B 208 12.180 3.677 -0.107 1.00 0.00 C ATOM 1519 C LYS B 208 12.408 4.383 -1.452 1.00 0.00 C ATOM 1520 O LYS B 208 12.435 5.609 -1.497 1.00 0.00 O ATOM 1521 CB LYS B 208 11.460 2.319 -0.300 1.00 0.00 C ATOM 1522 CG LYS B 208 10.201 2.322 -1.175 1.00 0.00 C ATOM 1523 CD LYS B 208 9.087 3.200 -0.626 1.00 0.00 C ATOM 1524 CE LYS B 208 9.110 4.572 -1.262 1.00 0.00 C ATOM 1525 NZ LYS B 208 8.167 5.511 -0.618 1.00 0.00 N ATOM 0 H LYS B 208 11.146 5.426 0.425 1.00 0.00 H new ATOM 0 HA LYS B 208 13.157 3.471 0.329 1.00 0.00 H new ATOM 0 HB2 LYS B 208 12.172 1.615 -0.732 1.00 0.00 H new ATOM 0 HB3 LYS B 208 11.189 1.935 0.684 1.00 0.00 H new ATOM 0 HG2 LYS B 208 10.464 2.664 -2.176 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.834 1.301 -1.274 1.00 0.00 H new ATOM 0 HD2 LYS B 208 8.123 2.727 -0.810 1.00 0.00 H new ATOM 0 HD3 LYS B 208 9.194 3.295 0.455 1.00 0.00 H new ATOM 0 HE2 LYS B 208 10.119 4.979 -1.204 1.00 0.00 H new ATOM 0 HE3 LYS B 208 8.863 4.483 -2.320 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 8.415 6.486 -0.881 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 7.199 5.302 -0.935 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 8.223 5.406 0.415 1.00 0.00 H new ATOM 1539 N THR B 209 12.586 3.586 -2.514 1.00 0.00 N ATOM 1540 CA THR B 209 12.816 4.045 -3.897 1.00 0.00 C ATOM 1541 C THR B 209 14.169 4.721 -4.068 1.00 0.00 C ATOM 1542 O THR B 209 14.422 5.793 -3.521 1.00 0.00 O ATOM 1543 CB THR B 209 11.696 4.959 -4.470 1.00 0.00 C ATOM 1544 OG1 THR B 209 11.585 6.191 -3.750 1.00 0.00 O ATOM 1545 CG2 THR B 209 10.360 4.238 -4.456 1.00 0.00 C ATOM 0 H THR B 209 12.574 2.569 -2.435 1.00 0.00 H new ATOM 0 HA THR B 209 12.800 3.124 -4.480 1.00 0.00 H new ATOM 0 HB THR B 209 11.973 5.195 -5.498 1.00 0.00 H new ATOM 0 HG1 THR B 209 12.263 6.219 -3.043 1.00 0.00 H new ATOM 0 HG21 THR B 209 9.589 4.893 -4.861 1.00 0.00 H new ATOM 0 HG22 THR B 209 10.427 3.337 -5.065 1.00 0.00 H new ATOM 0 HG23 THR B 209 10.104 3.966 -3.432 1.00 0.00 H new ATOM 1553 N ILE B 210 15.029 4.058 -4.840 1.00 0.00 N ATOM 1554 CA ILE B 210 16.357 4.563 -5.170 1.00 0.00 C ATOM 1555 C ILE B 210 17.204 4.750 -3.915 1.00 0.00 C ATOM 1556 O ILE B 210 17.262 5.837 -3.336 1.00 0.00 O ATOM 1557 CB ILE B 210 16.298 5.891 -5.963 1.00 0.00 C ATOM 1558 CG1 ILE B 210 15.397 5.744 -7.196 1.00 0.00 C ATOM 1559 CG2 ILE B 210 17.700 6.325 -6.378 1.00 0.00 C ATOM 1560 CD1 ILE B 210 15.860 4.683 -8.175 1.00 0.00 C ATOM 0 H ILE B 210 14.821 3.150 -5.256 1.00 0.00 H new ATOM 0 HA ILE B 210 16.823 3.811 -5.806 1.00 0.00 H new ATOM 0 HB ILE B 210 15.873 6.659 -5.316 1.00 0.00 H new ATOM 0 HG12 ILE B 210 14.386 5.504 -6.868 1.00 0.00 H new ATOM 0 HG13 ILE B 210 15.346 6.703 -7.712 1.00 0.00 H new ATOM 0 HG21 ILE B 210 17.642 7.260 -6.935 1.00 0.00 H new ATOM 0 HG22 ILE B 210 18.314 6.470 -5.489 1.00 0.00 H new ATOM 0 HG23 ILE B 210 18.148 5.556 -7.007 1.00 0.00 H new ATOM 0 HD11 ILE B 210 15.171 4.641 -9.018 1.00 0.00 H new ATOM 0 HD12 ILE B 210 16.859 4.931 -8.534 1.00 0.00 H new ATOM 0 HD13 ILE B 210 15.884 3.714 -7.677 1.00 0.00 H new ATOM 1572 N GLN B 211 17.850 3.679 -3.487 1.00 0.00 N ATOM 1573 CA GLN B 211 18.754 3.752 -2.354 1.00 0.00 C ATOM 1574 C GLN B 211 20.093 4.326 -2.798 1.00 0.00 C ATOM 1575 O GLN B 211 20.699 3.851 -3.759 1.00 0.00 O ATOM 1576 CB GLN B 211 18.927 2.379 -1.699 1.00 0.00 C ATOM 1577 CG GLN B 211 19.242 1.256 -2.672 1.00 0.00 C ATOM 1578 CD GLN B 211 19.351 -0.099 -1.996 1.00 0.00 C ATOM 1579 OE1 GLN B 211 18.627 -0.284 -0.902 1.00 0.00 O flip ATOM 1580 NE2 GLN B 211 20.084 -0.975 -2.454 1.00 0.00 N flip ATOM 0 H GLN B 211 17.766 2.753 -3.905 1.00 0.00 H new ATOM 0 HA GLN B 211 18.324 4.416 -1.604 1.00 0.00 H new ATOM 0 HB2 GLN B 211 19.727 2.440 -0.962 1.00 0.00 H new ATOM 0 HB3 GLN B 211 18.014 2.130 -1.159 1.00 0.00 H new ATOM 0 HG2 GLN B 211 18.464 1.214 -3.435 1.00 0.00 H new ATOM 0 HG3 GLN B 211 20.179 1.477 -3.184 1.00 0.00 H new ATOM 0 HE21 GLN B 211 20.627 -0.796 -3.299 1.00 0.00 H new ATOM 0 HE22 GLN B 211 20.149 -1.880 -1.989 1.00 0.00 H new ATOM 1589 N ASN B 212 20.528 5.372 -2.118 1.00 0.00 N ATOM 1590 CA ASN B 212 21.758 6.056 -2.479 1.00 0.00 C ATOM 1591 C ASN B 212 22.956 5.366 -1.848 1.00 0.00 C ATOM 1592 O ASN B 212 23.567 4.511 -2.522 1.00 0.00 O ATOM 1593 CB ASN B 212 21.700 7.529 -2.063 1.00 0.00 C ATOM 1594 CG ASN B 212 20.713 8.333 -2.894 1.00 0.00 C ATOM 1595 OD1 ASN B 212 21.068 8.894 -3.932 1.00 0.00 O ATOM 1596 ND2 ASN B 212 19.468 8.394 -2.449 1.00 0.00 N ATOM 1597 OXT ASN B 212 23.275 5.665 -0.679 1.00 0.00 O ATOM 0 H ASN B 212 20.046 5.767 -1.310 1.00 0.00 H new ATOM 0 HA ASN B 212 21.869 6.013 -3.562 1.00 0.00 H new ATOM 0 HB2 ASN B 212 21.422 7.595 -1.011 1.00 0.00 H new ATOM 0 HB3 ASN B 212 22.693 7.969 -2.158 1.00 0.00 H new ATOM 0 HD21 ASN B 212 18.765 8.919 -2.970 1.00 0.00 H new ATOM 0 HD22 ASN B 212 19.211 7.916 -1.585 1.00 0.00 H new TER 1604 ASN B 212