USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 674 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 92 HIS : no HD1:sc= -6.65! C(o=-9.5!,f=-16!) USER MOD Set 1.2: A 98 ASN : amide:sc= -2.83! K(o=-9.5!,f=-5.4) USER MOD Set 2.1: A 81 ASN : amide:sc= -20.4! C(o=-49!,f=-30!) USER MOD Set 2.2: A 83 ASN : amide:sc= -20.9! C(o=-49!,f=-27!) USER MOD Set 2.3: A 85 GLN : amide:sc= -7.73! K(o=-49!,f=-27) USER MOD Set 3.1: A 27 HIS : no HD1:sc= -9.16! C(o=-13!,f=-17!) USER MOD Set 3.2: A 57 TYR OH : rot -79:sc= -3.72! USER MOD Set 4.1: A 41 LYS NZ :NH3+ 175:sc= -0.141 (180deg=-0.193) USER MOD Set 4.2: A 43 ASN : amide:sc= -2.14 K(o=-2.3,f=0.036) USER MOD Set 5.1: A 36 ASN : amide:sc= -2.78! C(o=-2.8!,f=-4.9!) USER MOD Set 5.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 9 ASN : amide:sc= -17.1! C(o=-24!,f=-25!) USER MOD Set 6.2: A 11 TYR OH : rot 52:sc= -7.36! USER MOD Set 7.1: A 6 CYS SG : rot -35:sc= -26.5! USER MOD Set 7.2: A 103 CYS SG : rot -175:sc= -38.9! USER MOD Set 8.1: A 2 CYS SG : rot 1:sc= 0.864 USER MOD Set 8.2: A 10 CYS SG : rot 103:sc= -7.82! USER MOD Single : A 4 TYR OH : rot 110:sc= -7.18! USER MOD Single : A 5 THR OG1 : rot -79:sc= -0.708! USER MOD Single : A 8 SER OG : rot 71:sc= 1.03 USER MOD Single : A 12 SER OG : rot 112:sc= 0.0878 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -15.6! C(o=-16!,f=-21!) USER MOD Single : A 24 TYR OH : rot -119:sc= -3.66! USER MOD Single : A 25 LYS NZ :NH3+ -164:sc=-0.00803 (180deg=-0.211) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 60:sc= 0.904 USER MOD Single : A 40 HIS : no HE2:sc= -5.8! C(o=-5.8!,f=-10!) USER MOD Single : A 42 TYR OH : rot 61:sc= -6.52! USER MOD Single : A 44 ASN : amide:sc= -0.569 X(o=-0.57,f=-0.078) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -13:sc= 0.501! USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.24 USER MOD Single : A 69 SER OG : rot 56:sc= 1.11 USER MOD Single : A 72 SER OG : rot -60:sc= 0.544 USER MOD Single : A 84 ASN : amide:sc= -14.1! C(o=-14!,f=-7.5!) USER MOD Single : A 91 THR OG1 : rot 140:sc= 0.114 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -59:sc= 0.00157 USER MOD Single : A 99 ASN : amide:sc= -15.8! C(o=-16!,f=-6.7!) USER MOD Single : A 104 THR OG1 : rot -66:sc= 0.649 USER MOD ----------------------------------------------------------------- ATOM 11 N CYS A 2 -4.591 -14.514 -6.262 1.00 0.00 N ATOM 12 CA CYS A 2 -3.519 -13.741 -5.658 1.00 0.00 C ATOM 13 C CYS A 2 -3.281 -12.498 -6.518 1.00 0.00 C ATOM 14 O CYS A 2 -2.183 -12.297 -7.034 1.00 0.00 O ATOM 15 CB CYS A 2 -2.246 -14.573 -5.491 1.00 0.00 C ATOM 16 SG CYS A 2 -2.414 -16.335 -5.954 1.00 0.00 S ATOM 0 HA CYS A 2 -3.808 -13.436 -4.652 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -1.456 -14.127 -6.095 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -1.924 -14.514 -4.451 1.00 0.00 H new ATOM 0 HG CYS A 2 -3.626 -16.562 -6.364 1.00 0.00 H new ATOM 21 N ASP A 3 -4.328 -11.697 -6.646 1.00 0.00 N ATOM 22 CA ASP A 3 -4.246 -10.478 -7.435 1.00 0.00 C ATOM 23 C ASP A 3 -2.904 -9.794 -7.171 1.00 0.00 C ATOM 24 O ASP A 3 -2.375 -9.101 -8.039 1.00 0.00 O ATOM 25 CB ASP A 3 -5.359 -9.500 -7.055 1.00 0.00 C ATOM 26 CG ASP A 3 -6.781 -10.024 -7.263 1.00 0.00 C ATOM 27 OD1 ASP A 3 -6.997 -11.216 -6.952 1.00 0.00 O ATOM 28 OD2 ASP A 3 -7.619 -9.222 -7.727 1.00 0.00 O ATOM 0 H ASP A 3 -5.238 -11.867 -6.217 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.348 -10.749 -8.486 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.239 -9.226 -6.007 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.235 -8.588 -7.639 1.00 0.00 H new ATOM 33 N TYR A 4 -2.390 -10.013 -5.969 1.00 0.00 N ATOM 34 CA TYR A 4 -1.119 -9.426 -5.581 1.00 0.00 C ATOM 35 C TYR A 4 -0.255 -10.438 -4.826 1.00 0.00 C ATOM 36 O TYR A 4 -0.561 -10.793 -3.688 1.00 0.00 O ATOM 37 CB TYR A 4 -1.460 -8.265 -4.645 1.00 0.00 C ATOM 38 CG TYR A 4 -2.402 -7.227 -5.258 1.00 0.00 C ATOM 39 CD1 TYR A 4 -1.915 -6.299 -6.154 1.00 0.00 C ATOM 40 CD2 TYR A 4 -3.738 -7.219 -4.913 1.00 0.00 C ATOM 41 CE1 TYR A 4 -2.801 -5.321 -6.732 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.624 -6.241 -5.490 1.00 0.00 C ATOM 43 CZ TYR A 4 -4.113 -5.341 -6.371 1.00 0.00 C ATOM 44 OH TYR A 4 -4.949 -4.418 -6.916 1.00 0.00 O ATOM 0 H TYR A 4 -2.831 -10.589 -5.252 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.560 -9.105 -6.460 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -1.916 -8.664 -3.739 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.536 -7.770 -4.345 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.869 -6.305 -6.423 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.119 -7.946 -4.211 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -2.433 -4.589 -7.435 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.672 -6.223 -5.228 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.563 -4.860 -7.539 1.00 0.00 H new ATOM 54 N THR A 5 0.806 -10.874 -5.488 1.00 0.00 N ATOM 55 CA THR A 5 1.715 -11.838 -4.893 1.00 0.00 C ATOM 56 C THR A 5 3.116 -11.238 -4.761 1.00 0.00 C ATOM 57 O THR A 5 3.854 -11.152 -5.741 1.00 0.00 O ATOM 58 CB THR A 5 1.677 -13.111 -5.743 1.00 0.00 C ATOM 59 OG1 THR A 5 0.497 -13.782 -5.310 1.00 0.00 O ATOM 60 CG2 THR A 5 2.806 -14.081 -5.394 1.00 0.00 C ATOM 0 H THR A 5 1.057 -10.577 -6.431 1.00 0.00 H new ATOM 0 HA THR A 5 1.409 -12.097 -3.879 1.00 0.00 H new ATOM 0 HB THR A 5 1.740 -12.845 -6.798 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.674 -14.241 -4.463 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.733 -14.967 -6.025 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.767 -13.595 -5.560 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.724 -14.374 -4.347 1.00 0.00 H new ATOM 68 N CYS A 6 3.440 -10.838 -3.540 1.00 0.00 N ATOM 69 CA CYS A 6 4.740 -10.249 -3.266 1.00 0.00 C ATOM 70 C CYS A 6 5.768 -11.378 -3.163 1.00 0.00 C ATOM 71 O CYS A 6 6.324 -11.620 -2.093 1.00 0.00 O ATOM 72 CB CYS A 6 4.714 -9.385 -2.004 1.00 0.00 C ATOM 73 SG CYS A 6 4.002 -7.714 -2.233 1.00 0.00 S ATOM 0 H CYS A 6 2.825 -10.910 -2.730 1.00 0.00 H new ATOM 0 HA CYS A 6 5.018 -9.580 -4.080 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.143 -9.906 -1.236 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.733 -9.283 -1.630 1.00 0.00 H new ATOM 0 HG CYS A 6 4.305 -7.272 -3.417 1.00 0.00 H new ATOM 78 N GLY A 7 5.988 -12.039 -4.290 1.00 0.00 N ATOM 79 CA GLY A 7 6.939 -13.136 -4.340 1.00 0.00 C ATOM 80 C GLY A 7 6.267 -14.461 -3.973 1.00 0.00 C ATOM 81 O GLY A 7 6.421 -15.455 -4.679 1.00 0.00 O ATOM 0 H GLY A 7 5.524 -11.836 -5.175 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.367 -13.206 -5.340 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.763 -12.940 -3.654 1.00 0.00 H new ATOM 85 N SER A 8 5.536 -14.430 -2.868 1.00 0.00 N ATOM 86 CA SER A 8 4.841 -15.616 -2.398 1.00 0.00 C ATOM 87 C SER A 8 3.698 -15.217 -1.463 1.00 0.00 C ATOM 88 O SER A 8 3.557 -15.774 -0.376 1.00 0.00 O ATOM 89 CB SER A 8 5.801 -16.571 -1.684 1.00 0.00 C ATOM 90 OG SER A 8 5.818 -16.358 -0.276 1.00 0.00 O ATOM 0 H SER A 8 5.410 -13.602 -2.285 1.00 0.00 H new ATOM 0 HA SER A 8 4.430 -16.136 -3.263 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.509 -17.600 -1.891 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.807 -16.439 -2.083 1.00 0.00 H new ATOM 0 HG SER A 8 4.973 -16.668 0.112 1.00 0.00 H new ATOM 96 N ASN A 9 2.912 -14.253 -1.919 1.00 0.00 N ATOM 97 CA ASN A 9 1.786 -13.772 -1.136 1.00 0.00 C ATOM 98 C ASN A 9 0.496 -13.960 -1.938 1.00 0.00 C ATOM 99 O ASN A 9 0.486 -14.660 -2.950 1.00 0.00 O ATOM 100 CB ASN A 9 1.932 -12.282 -0.819 1.00 0.00 C ATOM 101 CG ASN A 9 3.310 -11.980 -0.227 1.00 0.00 C ATOM 102 OD1 ASN A 9 3.448 -11.581 0.918 1.00 0.00 O ATOM 103 ND2 ASN A 9 4.318 -12.193 -1.067 1.00 0.00 N ATOM 0 H ASN A 9 3.032 -13.792 -2.821 1.00 0.00 H new ATOM 0 HA ASN A 9 1.756 -14.338 -0.205 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.786 -11.697 -1.727 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.156 -11.978 -0.117 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.277 -12.022 -0.766 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.132 -12.528 -2.012 1.00 0.00 H new ATOM 110 N CYS A 10 -0.561 -13.322 -1.456 1.00 0.00 N ATOM 111 CA CYS A 10 -1.853 -13.411 -2.115 1.00 0.00 C ATOM 112 C CYS A 10 -2.802 -12.416 -1.445 1.00 0.00 C ATOM 113 O CYS A 10 -3.667 -12.809 -0.662 1.00 0.00 O ATOM 114 CB CYS A 10 -2.405 -14.837 -2.087 1.00 0.00 C ATOM 115 SG CYS A 10 -3.942 -15.084 -3.049 1.00 0.00 S ATOM 0 H CYS A 10 -0.549 -12.742 -0.617 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.746 -13.155 -3.169 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.641 -15.515 -2.469 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.592 -15.119 -1.051 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.661 -15.677 -4.171 1.00 0.00 H new ATOM 120 N TYR A 11 -2.611 -11.148 -1.776 1.00 0.00 N ATOM 121 CA TYR A 11 -3.440 -10.095 -1.216 1.00 0.00 C ATOM 122 C TYR A 11 -4.660 -9.828 -2.101 1.00 0.00 C ATOM 123 O TYR A 11 -4.959 -8.679 -2.422 1.00 0.00 O ATOM 124 CB TYR A 11 -2.564 -8.841 -1.184 1.00 0.00 C ATOM 125 CG TYR A 11 -1.137 -9.090 -0.693 1.00 0.00 C ATOM 126 CD1 TYR A 11 -0.899 -9.314 0.648 1.00 0.00 C ATOM 127 CD2 TYR A 11 -0.089 -9.092 -1.590 1.00 0.00 C ATOM 128 CE1 TYR A 11 0.445 -9.549 1.110 1.00 0.00 C ATOM 129 CE2 TYR A 11 1.255 -9.327 -1.127 1.00 0.00 C ATOM 130 CZ TYR A 11 1.456 -9.544 0.201 1.00 0.00 C ATOM 131 OH TYR A 11 2.723 -9.766 0.637 1.00 0.00 O ATOM 0 H TYR A 11 -1.894 -10.826 -2.426 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.803 -10.377 -0.228 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.523 -8.414 -2.186 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.034 -8.098 -0.540 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.720 -9.313 1.350 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.276 -8.917 -2.639 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.645 -9.725 2.156 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.084 -9.331 -1.819 1.00 0.00 H new ATOM 0 HH TYR A 11 2.745 -10.583 1.177 1.00 0.00 H new ATOM 141 N SER A 12 -5.331 -10.909 -2.469 1.00 0.00 N ATOM 142 CA SER A 12 -6.511 -10.807 -3.310 1.00 0.00 C ATOM 143 C SER A 12 -7.155 -9.430 -3.143 1.00 0.00 C ATOM 144 O SER A 12 -7.065 -8.824 -2.076 1.00 0.00 O ATOM 145 CB SER A 12 -7.521 -11.908 -2.979 1.00 0.00 C ATOM 146 OG SER A 12 -8.568 -11.436 -2.136 1.00 0.00 O ATOM 0 H SER A 12 -5.080 -11.860 -2.200 1.00 0.00 H new ATOM 0 HA SER A 12 -6.203 -10.934 -4.348 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.948 -12.298 -3.903 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.008 -12.736 -2.490 1.00 0.00 H new ATOM 0 HG SER A 12 -9.411 -11.427 -2.635 1.00 0.00 H new ATOM 152 N SER A 13 -7.790 -8.975 -4.213 1.00 0.00 N ATOM 153 CA SER A 13 -8.448 -7.678 -4.199 1.00 0.00 C ATOM 154 C SER A 13 -9.116 -7.447 -2.842 1.00 0.00 C ATOM 155 O SER A 13 -9.332 -6.305 -2.439 1.00 0.00 O ATOM 156 CB SER A 13 -9.479 -7.572 -5.323 1.00 0.00 C ATOM 157 OG SER A 13 -10.718 -8.184 -4.972 1.00 0.00 O ATOM 0 H SER A 13 -7.863 -9.481 -5.096 1.00 0.00 H new ATOM 0 HA SER A 13 -7.693 -6.909 -4.362 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.648 -6.522 -5.562 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.084 -8.044 -6.223 1.00 0.00 H new ATOM 0 HG SER A 13 -11.350 -8.093 -5.716 1.00 0.00 H new ATOM 163 N SER A 14 -9.426 -8.549 -2.174 1.00 0.00 N ATOM 164 CA SER A 14 -10.065 -8.480 -0.872 1.00 0.00 C ATOM 165 C SER A 14 -9.016 -8.236 0.215 1.00 0.00 C ATOM 166 O SER A 14 -9.331 -7.705 1.278 1.00 0.00 O ATOM 167 CB SER A 14 -10.848 -9.760 -0.575 1.00 0.00 C ATOM 168 OG SER A 14 -11.579 -9.668 0.646 1.00 0.00 O ATOM 0 H SER A 14 -9.246 -9.495 -2.511 1.00 0.00 H new ATOM 0 HA SER A 14 -10.769 -7.648 -0.881 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.537 -9.962 -1.395 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.159 -10.603 -0.522 1.00 0.00 H new ATOM 0 HG SER A 14 -12.067 -10.504 0.799 1.00 0.00 H new ATOM 174 N ASP A 15 -7.790 -8.635 -0.092 1.00 0.00 N ATOM 175 CA ASP A 15 -6.692 -8.465 0.844 1.00 0.00 C ATOM 176 C ASP A 15 -6.159 -7.035 0.745 1.00 0.00 C ATOM 177 O ASP A 15 -5.608 -6.505 1.709 1.00 0.00 O ATOM 178 CB ASP A 15 -5.543 -9.422 0.524 1.00 0.00 C ATOM 179 CG ASP A 15 -5.498 -10.690 1.379 1.00 0.00 C ATOM 180 OD1 ASP A 15 -6.437 -11.503 1.236 1.00 0.00 O ATOM 181 OD2 ASP A 15 -4.528 -10.817 2.157 1.00 0.00 O ATOM 0 H ASP A 15 -7.533 -9.075 -0.976 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.067 -8.675 1.846 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.613 -9.712 -0.524 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.601 -8.887 0.645 1.00 0.00 H new ATOM 186 N VAL A 16 -6.341 -6.449 -0.429 1.00 0.00 N ATOM 187 CA VAL A 16 -5.884 -5.091 -0.667 1.00 0.00 C ATOM 188 C VAL A 16 -6.859 -4.108 -0.015 1.00 0.00 C ATOM 189 O VAL A 16 -6.520 -3.454 0.970 1.00 0.00 O ATOM 190 CB VAL A 16 -5.710 -4.852 -2.168 1.00 0.00 C ATOM 191 CG1 VAL A 16 -5.322 -3.400 -2.452 1.00 0.00 C ATOM 192 CG2 VAL A 16 -4.685 -5.820 -2.762 1.00 0.00 C ATOM 0 H VAL A 16 -6.799 -6.890 -1.226 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.907 -4.932 -0.211 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.669 -5.042 -2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.205 -3.258 -3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.103 -2.736 -2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.382 -3.170 -1.951 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.580 -5.629 -3.830 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.722 -5.677 -2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.021 -6.845 -2.608 1.00 0.00 H new ATOM 202 N SER A 17 -8.050 -4.035 -0.591 1.00 0.00 N ATOM 203 CA SER A 17 -9.076 -3.144 -0.077 1.00 0.00 C ATOM 204 C SER A 17 -9.011 -3.096 1.451 1.00 0.00 C ATOM 205 O SER A 17 -8.952 -2.018 2.040 1.00 0.00 O ATOM 206 CB SER A 17 -10.468 -3.585 -0.536 1.00 0.00 C ATOM 207 OG SER A 17 -11.489 -2.715 -0.054 1.00 0.00 O ATOM 0 H SER A 17 -8.327 -4.578 -1.409 1.00 0.00 H new ATOM 0 HA SER A 17 -8.891 -2.145 -0.473 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.499 -3.612 -1.625 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.661 -4.599 -0.186 1.00 0.00 H new ATOM 0 HG SER A 17 -12.362 -3.029 -0.369 1.00 0.00 H new ATOM 213 N THR A 18 -9.025 -4.278 2.049 1.00 0.00 N ATOM 214 CA THR A 18 -8.969 -4.385 3.497 1.00 0.00 C ATOM 215 C THR A 18 -7.789 -3.580 4.046 1.00 0.00 C ATOM 216 O THR A 18 -7.947 -2.801 4.984 1.00 0.00 O ATOM 217 CB THR A 18 -8.911 -5.870 3.860 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.278 -6.244 4.009 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.306 -6.111 5.245 1.00 0.00 C ATOM 0 H THR A 18 -9.074 -5.170 1.557 1.00 0.00 H new ATOM 0 HA THR A 18 -9.858 -3.957 3.959 1.00 0.00 H new ATOM 0 HB THR A 18 -8.327 -6.404 3.111 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.334 -7.194 4.243 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.288 -7.181 5.453 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.289 -5.719 5.271 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.909 -5.605 5.999 1.00 0.00 H new ATOM 227 N ALA A 19 -6.632 -3.795 3.435 1.00 0.00 N ATOM 228 CA ALA A 19 -5.426 -3.098 3.850 1.00 0.00 C ATOM 229 C ALA A 19 -5.606 -1.596 3.623 1.00 0.00 C ATOM 230 O ALA A 19 -5.239 -0.787 4.473 1.00 0.00 O ATOM 231 CB ALA A 19 -4.224 -3.663 3.092 1.00 0.00 C ATOM 0 H ALA A 19 -6.505 -4.442 2.656 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.241 -3.250 4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.319 -3.140 3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.123 -4.726 3.311 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.372 -3.526 2.021 1.00 0.00 H new ATOM 237 N GLN A 20 -6.172 -1.268 2.470 1.00 0.00 N ATOM 238 CA GLN A 20 -6.405 0.123 2.120 1.00 0.00 C ATOM 239 C GLN A 20 -7.311 0.787 3.159 1.00 0.00 C ATOM 240 O GLN A 20 -6.939 1.796 3.756 1.00 0.00 O ATOM 241 CB GLN A 20 -7.001 0.243 0.716 1.00 0.00 C ATOM 242 CG GLN A 20 -6.270 -0.672 -0.270 1.00 0.00 C ATOM 243 CD GLN A 20 -6.987 -0.706 -1.620 1.00 0.00 C ATOM 244 OE1 GLN A 20 -7.288 -1.756 -2.166 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.243 0.496 -2.128 1.00 0.00 N ATOM 0 H GLN A 20 -6.476 -1.942 1.767 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.447 0.642 2.117 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.059 -0.017 0.743 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.935 1.277 0.376 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.247 -0.322 -0.406 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.210 -1.680 0.140 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.964 1.335 -1.619 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.718 0.579 -3.027 1.00 0.00 H new ATOM 254 N ALA A 21 -8.481 0.194 3.342 1.00 0.00 N ATOM 255 CA ALA A 21 -9.443 0.716 4.298 1.00 0.00 C ATOM 256 C ALA A 21 -8.698 1.263 5.518 1.00 0.00 C ATOM 257 O ALA A 21 -9.066 2.305 6.058 1.00 0.00 O ATOM 258 CB ALA A 21 -10.442 -0.382 4.669 1.00 0.00 C ATOM 0 H ALA A 21 -8.785 -0.643 2.845 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.010 1.538 3.862 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.163 0.010 5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.965 -0.716 3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.910 -1.223 5.113 1.00 0.00 H new ATOM 264 N ALA A 22 -7.665 0.536 5.915 1.00 0.00 N ATOM 265 CA ALA A 22 -6.865 0.936 7.060 1.00 0.00 C ATOM 266 C ALA A 22 -6.133 2.239 6.736 1.00 0.00 C ATOM 267 O ALA A 22 -6.282 3.233 7.446 1.00 0.00 O ATOM 268 CB ALA A 22 -5.904 -0.196 7.432 1.00 0.00 C ATOM 0 H ALA A 22 -7.363 -0.328 5.464 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.501 1.122 7.926 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.304 0.104 8.291 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.475 -1.090 7.683 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.248 -0.409 6.588 1.00 0.00 H new ATOM 274 N GLY A 23 -5.357 2.193 5.663 1.00 0.00 N ATOM 275 CA GLY A 23 -4.601 3.359 5.235 1.00 0.00 C ATOM 276 C GLY A 23 -5.518 4.568 5.046 1.00 0.00 C ATOM 277 O GLY A 23 -5.176 5.680 5.445 1.00 0.00 O ATOM 0 H GLY A 23 -5.235 1.367 5.077 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.835 3.591 5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.086 3.139 4.300 1.00 0.00 H new ATOM 281 N TYR A 24 -6.666 4.310 4.437 1.00 0.00 N ATOM 282 CA TYR A 24 -7.635 5.364 4.190 1.00 0.00 C ATOM 283 C TYR A 24 -8.196 5.913 5.504 1.00 0.00 C ATOM 284 O TYR A 24 -7.991 7.080 5.831 1.00 0.00 O ATOM 285 CB TYR A 24 -8.771 4.715 3.396 1.00 0.00 C ATOM 286 CG TYR A 24 -9.410 5.637 2.355 1.00 0.00 C ATOM 287 CD1 TYR A 24 -8.908 5.678 1.070 1.00 0.00 C ATOM 288 CD2 TYR A 24 -10.487 6.427 2.701 1.00 0.00 C ATOM 289 CE1 TYR A 24 -9.508 6.546 0.091 1.00 0.00 C ATOM 290 CE2 TYR A 24 -11.087 7.295 1.721 1.00 0.00 C ATOM 291 CZ TYR A 24 -10.568 7.312 0.464 1.00 0.00 C ATOM 292 OH TYR A 24 -11.135 8.131 -0.461 1.00 0.00 O ATOM 0 H TYR A 24 -6.947 3.386 4.107 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.172 6.193 3.656 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.388 3.827 2.893 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.541 4.380 4.091 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.065 5.059 0.799 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.880 6.394 3.706 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -9.125 6.588 -0.918 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.930 7.919 1.978 1.00 0.00 H new ATOM 0 HH TYR A 24 -11.068 9.061 -0.159 1.00 0.00 H new ATOM 302 N LYS A 25 -8.893 5.044 6.221 1.00 0.00 N ATOM 303 CA LYS A 25 -9.485 5.427 7.491 1.00 0.00 C ATOM 304 C LYS A 25 -8.511 6.329 8.252 1.00 0.00 C ATOM 305 O LYS A 25 -8.835 7.474 8.565 1.00 0.00 O ATOM 306 CB LYS A 25 -9.914 4.186 8.278 1.00 0.00 C ATOM 307 CG LYS A 25 -10.623 4.578 9.577 1.00 0.00 C ATOM 308 CD LYS A 25 -11.994 5.192 9.290 1.00 0.00 C ATOM 309 CE LYS A 25 -12.782 5.403 10.584 1.00 0.00 C ATOM 310 NZ LYS A 25 -13.213 4.105 11.147 1.00 0.00 N ATOM 0 H LYS A 25 -9.061 4.076 5.947 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.395 6.005 7.328 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.579 3.575 7.667 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.040 3.576 8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.740 3.699 10.211 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.010 5.290 10.129 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.869 6.145 8.777 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.555 4.540 8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.165 5.934 11.309 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.653 6.028 10.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.959 4.264 11.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.581 3.501 10.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.402 3.636 11.599 1.00 0.00 H new ATOM 324 N LEU A 26 -7.336 5.781 8.526 1.00 0.00 N ATOM 325 CA LEU A 26 -6.313 6.522 9.243 1.00 0.00 C ATOM 326 C LEU A 26 -5.952 7.781 8.451 1.00 0.00 C ATOM 327 O LEU A 26 -5.638 8.817 9.035 1.00 0.00 O ATOM 328 CB LEU A 26 -5.113 5.622 9.547 1.00 0.00 C ATOM 329 CG LEU A 26 -3.950 6.284 10.289 1.00 0.00 C ATOM 330 CD1 LEU A 26 -4.019 5.991 11.789 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.607 5.867 9.685 1.00 0.00 C ATOM 0 H LEU A 26 -7.070 4.832 8.264 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.689 6.851 10.212 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.460 4.775 10.138 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.737 5.221 8.606 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.037 7.364 10.168 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.181 6.473 12.293 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.955 6.377 12.192 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.970 4.914 11.952 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.797 6.351 10.230 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.496 4.785 9.756 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.570 6.168 8.638 1.00 0.00 H new ATOM 343 N HIS A 27 -6.009 7.650 7.134 1.00 0.00 N ATOM 344 CA HIS A 27 -5.693 8.764 6.256 1.00 0.00 C ATOM 345 C HIS A 27 -6.757 9.852 6.404 1.00 0.00 C ATOM 346 O HIS A 27 -6.431 11.020 6.611 1.00 0.00 O ATOM 347 CB HIS A 27 -5.528 8.287 4.812 1.00 0.00 C ATOM 348 CG HIS A 27 -5.414 9.408 3.805 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.424 10.372 3.867 1.00 0.00 N ATOM 350 CD2 HIS A 27 -6.175 9.705 2.713 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.591 11.208 2.853 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.677 10.793 2.139 1.00 0.00 N ATOM 0 H HIS A 27 -6.269 6.789 6.653 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.736 9.200 6.545 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.638 7.661 4.746 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.379 7.660 4.548 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.036 9.149 2.373 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.976 12.067 2.631 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.045 11.245 1.302 1.00 0.00 H new ATOM 361 N GLU A 28 -8.008 9.431 6.293 1.00 0.00 N ATOM 362 CA GLU A 28 -9.123 10.356 6.412 1.00 0.00 C ATOM 363 C GLU A 28 -9.093 11.051 7.775 1.00 0.00 C ATOM 364 O GLU A 28 -9.601 12.162 7.919 1.00 0.00 O ATOM 365 CB GLU A 28 -10.456 9.638 6.193 1.00 0.00 C ATOM 366 CG GLU A 28 -10.240 8.146 5.932 1.00 0.00 C ATOM 367 CD GLU A 28 -11.576 7.411 5.805 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.614 8.094 5.941 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.529 6.184 5.573 1.00 0.00 O ATOM 0 H GLU A 28 -8.275 8.461 6.122 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.024 11.115 5.636 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.092 9.769 7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.980 10.086 5.349 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.660 8.013 5.019 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.658 7.712 6.745 1.00 0.00 H new ATOM 376 N ASP A 29 -8.491 10.370 8.738 1.00 0.00 N ATOM 377 CA ASP A 29 -8.387 10.908 10.084 1.00 0.00 C ATOM 378 C ASP A 29 -7.095 11.717 10.206 1.00 0.00 C ATOM 379 O ASP A 29 -6.955 12.538 11.112 1.00 0.00 O ATOM 380 CB ASP A 29 -8.344 9.788 11.124 1.00 0.00 C ATOM 381 CG ASP A 29 -9.711 9.294 11.599 1.00 0.00 C ATOM 382 OD1 ASP A 29 -10.542 8.988 10.717 1.00 0.00 O ATOM 383 OD2 ASP A 29 -9.895 9.233 12.834 1.00 0.00 O ATOM 0 H ASP A 29 -8.070 9.449 8.613 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.261 11.534 10.265 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.795 8.945 10.705 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.780 10.137 11.989 1.00 0.00 H new ATOM 388 N GLY A 30 -6.182 11.458 9.281 1.00 0.00 N ATOM 389 CA GLY A 30 -4.905 12.152 9.274 1.00 0.00 C ATOM 390 C GLY A 30 -3.967 11.586 10.342 1.00 0.00 C ATOM 391 O GLY A 30 -3.056 12.273 10.800 1.00 0.00 O ATOM 0 H GLY A 30 -6.301 10.777 8.531 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.442 12.059 8.292 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.064 13.216 9.452 1.00 0.00 H new ATOM 395 N GLU A 31 -4.223 10.338 10.708 1.00 0.00 N ATOM 396 CA GLU A 31 -3.414 9.673 11.714 1.00 0.00 C ATOM 397 C GLU A 31 -2.350 8.799 11.045 1.00 0.00 C ATOM 398 O GLU A 31 -2.325 8.673 9.822 1.00 0.00 O ATOM 399 CB GLU A 31 -4.286 8.846 12.661 1.00 0.00 C ATOM 400 CG GLU A 31 -5.056 9.750 13.626 1.00 0.00 C ATOM 401 CD GLU A 31 -4.119 10.362 14.669 1.00 0.00 C ATOM 402 OE1 GLU A 31 -3.401 11.315 14.296 1.00 0.00 O ATOM 403 OE2 GLU A 31 -4.142 9.864 15.815 1.00 0.00 O ATOM 0 H GLU A 31 -4.979 9.771 10.325 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.911 10.435 12.309 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.987 8.244 12.083 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.661 8.154 13.225 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.553 10.544 13.068 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.836 9.175 14.125 1.00 0.00 H new ATOM 410 N THR A 32 -1.499 8.218 11.878 1.00 0.00 N ATOM 411 CA THR A 32 -0.436 7.359 11.382 1.00 0.00 C ATOM 412 C THR A 32 -0.474 6.003 12.089 1.00 0.00 C ATOM 413 O THR A 32 -1.298 5.783 12.974 1.00 0.00 O ATOM 414 CB THR A 32 0.891 8.101 11.560 1.00 0.00 C ATOM 415 OG1 THR A 32 0.943 8.391 12.954 1.00 0.00 O ATOM 416 CG2 THR A 32 0.886 9.478 10.893 1.00 0.00 C ATOM 0 H THR A 32 -1.524 8.325 12.892 1.00 0.00 H new ATOM 0 HA THR A 32 -0.564 7.141 10.322 1.00 0.00 H new ATOM 0 HB THR A 32 1.701 7.500 11.146 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.773 8.870 13.158 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.850 9.961 11.049 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.706 9.364 9.824 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.098 10.091 11.330 1.00 0.00 H new ATOM 424 N VAL A 33 0.430 5.129 11.670 1.00 0.00 N ATOM 425 CA VAL A 33 0.511 3.799 12.251 1.00 0.00 C ATOM 426 C VAL A 33 1.980 3.412 12.425 1.00 0.00 C ATOM 427 O VAL A 33 2.789 3.609 11.519 1.00 0.00 O ATOM 428 CB VAL A 33 -0.273 2.805 11.393 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.608 3.402 10.942 1.00 0.00 C ATOM 430 CG2 VAL A 33 0.556 2.344 10.192 1.00 0.00 C ATOM 0 H VAL A 33 1.112 5.316 10.935 1.00 0.00 H new ATOM 0 HA VAL A 33 0.053 3.785 13.240 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.488 1.930 12.007 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.145 2.674 10.334 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.207 3.656 11.817 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.424 4.301 10.354 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.025 1.638 9.599 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.817 3.206 9.578 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.467 1.860 10.543 1.00 0.00 H new ATOM 440 N GLY A 34 2.282 2.867 13.594 1.00 0.00 N ATOM 441 CA GLY A 34 3.640 2.450 13.897 1.00 0.00 C ATOM 442 C GLY A 34 4.508 3.649 14.284 1.00 0.00 C ATOM 443 O GLY A 34 4.006 4.637 14.817 1.00 0.00 O ATOM 0 H GLY A 34 1.609 2.705 14.343 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.629 1.726 14.712 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.072 1.948 13.031 1.00 0.00 H new ATOM 447 N SER A 35 5.797 3.522 14.001 1.00 0.00 N ATOM 448 CA SER A 35 6.739 4.582 14.314 1.00 0.00 C ATOM 449 C SER A 35 6.967 5.459 13.081 1.00 0.00 C ATOM 450 O SER A 35 7.639 6.487 13.161 1.00 0.00 O ATOM 451 CB SER A 35 8.069 4.010 14.810 1.00 0.00 C ATOM 452 OG SER A 35 8.603 3.045 13.909 1.00 0.00 O ATOM 0 H SER A 35 6.210 2.701 13.558 1.00 0.00 H new ATOM 0 HA SER A 35 6.316 5.190 15.113 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.786 4.820 14.940 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.924 3.552 15.788 1.00 0.00 H new ATOM 0 HG SER A 35 9.452 2.705 14.260 1.00 0.00 H new ATOM 458 N ASN A 36 6.395 5.022 11.969 1.00 0.00 N ATOM 459 CA ASN A 36 6.526 5.754 10.720 1.00 0.00 C ATOM 460 C ASN A 36 5.381 6.762 10.602 1.00 0.00 C ATOM 461 O ASN A 36 4.719 7.074 11.590 1.00 0.00 O ATOM 462 CB ASN A 36 6.454 4.811 9.518 1.00 0.00 C ATOM 463 CG ASN A 36 7.845 4.561 8.933 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.845 5.087 9.393 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.853 3.729 7.896 1.00 0.00 N ATOM 0 H ASN A 36 5.839 4.169 11.907 1.00 0.00 H new ATOM 0 HA ASN A 36 7.493 6.258 10.724 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.007 3.864 9.821 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.806 5.239 8.754 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.733 3.497 7.435 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.979 3.323 7.561 1.00 0.00 H new ATOM 472 N SER A 37 5.182 7.243 9.384 1.00 0.00 N ATOM 473 CA SER A 37 4.129 8.208 9.123 1.00 0.00 C ATOM 474 C SER A 37 3.202 7.687 8.023 1.00 0.00 C ATOM 475 O SER A 37 2.863 8.419 7.093 1.00 0.00 O ATOM 476 CB SER A 37 4.711 9.566 8.727 1.00 0.00 C ATOM 477 OG SER A 37 5.146 9.586 7.370 1.00 0.00 O ATOM 0 H SER A 37 5.733 6.982 8.566 1.00 0.00 H new ATOM 0 HA SER A 37 3.555 8.343 10.040 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.959 10.340 8.878 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.550 9.805 9.380 1.00 0.00 H new ATOM 0 HG SER A 37 4.387 9.394 6.780 1.00 0.00 H new ATOM 483 N TYR A 38 2.818 6.427 8.163 1.00 0.00 N ATOM 484 CA TYR A 38 1.937 5.800 7.193 1.00 0.00 C ATOM 485 C TYR A 38 0.478 5.881 7.644 1.00 0.00 C ATOM 486 O TYR A 38 0.191 5.847 8.840 1.00 0.00 O ATOM 487 CB TYR A 38 2.359 4.331 7.130 1.00 0.00 C ATOM 488 CG TYR A 38 3.732 4.104 6.496 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.756 5.002 6.727 1.00 0.00 C ATOM 490 CD2 TYR A 38 3.950 3.002 5.694 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.049 4.788 6.132 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.243 2.788 5.098 1.00 0.00 C ATOM 493 CZ TYR A 38 6.229 3.691 5.346 1.00 0.00 C ATOM 494 OH TYR A 38 7.451 3.490 4.784 1.00 0.00 O ATOM 0 H TYR A 38 3.101 5.823 8.934 1.00 0.00 H new ATOM 0 HA TYR A 38 2.012 6.299 6.227 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.365 3.922 8.140 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.613 3.773 6.564 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.586 5.865 7.354 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.150 2.300 5.513 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.858 5.482 6.305 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.426 1.930 4.468 1.00 0.00 H new ATOM 0 HH TYR A 38 7.434 2.668 4.250 1.00 0.00 H new ATOM 504 N PRO A 39 -0.431 5.988 6.637 1.00 0.00 N ATOM 505 CA PRO A 39 -0.007 6.020 5.248 1.00 0.00 C ATOM 506 C PRO A 39 0.601 7.378 4.891 1.00 0.00 C ATOM 507 O PRO A 39 0.879 8.189 5.773 1.00 0.00 O ATOM 508 CB PRO A 39 -1.258 5.701 4.447 1.00 0.00 C ATOM 509 CG PRO A 39 -2.429 5.959 5.382 1.00 0.00 C ATOM 510 CD PRO A 39 -1.879 6.081 6.794 1.00 0.00 C ATOM 0 HA PRO A 39 0.782 5.299 5.033 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.323 6.328 3.558 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.251 4.665 4.107 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.952 6.871 5.096 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.152 5.145 5.323 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.168 7.027 7.251 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.259 5.287 7.437 1.00 0.00 H new ATOM 518 N HIS A 40 0.790 7.584 3.596 1.00 0.00 N ATOM 519 CA HIS A 40 1.360 8.830 3.112 1.00 0.00 C ATOM 520 C HIS A 40 1.463 8.788 1.586 1.00 0.00 C ATOM 521 O HIS A 40 1.383 7.719 0.983 1.00 0.00 O ATOM 522 CB HIS A 40 2.702 9.113 3.788 1.00 0.00 C ATOM 523 CG HIS A 40 3.814 8.186 3.361 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.441 8.284 2.132 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.403 7.142 4.012 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.364 7.337 2.056 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.339 6.629 3.222 1.00 0.00 N ATOM 0 H HIS A 40 0.559 6.909 2.867 1.00 0.00 H new ATOM 0 HA HIS A 40 0.704 9.660 3.376 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.996 10.140 3.572 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.576 9.038 4.868 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.229 8.969 1.407 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.151 6.792 5.002 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.021 7.157 1.218 1.00 0.00 H new ATOM 536 N LYS A 41 1.637 9.966 1.004 1.00 0.00 N ATOM 537 CA LYS A 41 1.752 10.078 -0.440 1.00 0.00 C ATOM 538 C LYS A 41 2.801 9.085 -0.943 1.00 0.00 C ATOM 539 O LYS A 41 3.728 8.734 -0.214 1.00 0.00 O ATOM 540 CB LYS A 41 2.031 11.526 -0.845 1.00 0.00 C ATOM 541 CG LYS A 41 2.459 11.613 -2.312 1.00 0.00 C ATOM 542 CD LYS A 41 2.784 13.055 -2.704 1.00 0.00 C ATOM 543 CE LYS A 41 4.295 13.296 -2.710 1.00 0.00 C ATOM 544 NZ LYS A 41 4.926 12.596 -3.852 1.00 0.00 N ATOM 0 H LYS A 41 1.701 10.851 1.507 1.00 0.00 H new ATOM 0 HA LYS A 41 0.809 9.814 -0.918 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.138 12.130 -0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.813 11.941 -0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.332 10.982 -2.478 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.663 11.230 -2.950 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.375 13.268 -3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.306 13.742 -2.006 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.499 14.365 -2.773 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.729 12.944 -1.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.937 12.838 -3.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.820 11.569 -3.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.465 12.890 -4.737 1.00 0.00 H new ATOM 558 N TYR A 42 2.622 8.660 -2.185 1.00 0.00 N ATOM 559 CA TYR A 42 3.542 7.714 -2.792 1.00 0.00 C ATOM 560 C TYR A 42 3.674 7.968 -4.296 1.00 0.00 C ATOM 561 O TYR A 42 4.736 7.744 -4.875 1.00 0.00 O ATOM 562 CB TYR A 42 2.930 6.330 -2.573 1.00 0.00 C ATOM 563 CG TYR A 42 3.523 5.239 -3.468 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.284 5.257 -4.827 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.295 4.237 -2.916 1.00 0.00 C ATOM 566 CE1 TYR A 42 3.841 4.230 -5.669 1.00 0.00 C ATOM 567 CE2 TYR A 42 4.852 3.210 -3.758 1.00 0.00 C ATOM 568 CZ TYR A 42 4.597 3.258 -5.094 1.00 0.00 C ATOM 569 OH TYR A 42 5.124 2.288 -5.889 1.00 0.00 O ATOM 0 H TYR A 42 1.853 8.954 -2.787 1.00 0.00 H new ATOM 0 HA TYR A 42 4.534 7.806 -2.351 1.00 0.00 H new ATOM 0 HB2 TYR A 42 3.067 6.044 -1.530 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.856 6.387 -2.750 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.680 6.041 -5.259 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.481 4.223 -1.852 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.662 4.232 -6.734 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.458 2.420 -3.339 1.00 0.00 H new ATOM 0 HH TYR A 42 5.728 2.695 -6.545 1.00 0.00 H new ATOM 579 N ASN A 43 2.581 8.430 -4.885 1.00 0.00 N ATOM 580 CA ASN A 43 2.562 8.716 -6.309 1.00 0.00 C ATOM 581 C ASN A 43 3.067 7.494 -7.076 1.00 0.00 C ATOM 582 O ASN A 43 2.306 6.565 -7.343 1.00 0.00 O ATOM 583 CB ASN A 43 3.474 9.897 -6.646 1.00 0.00 C ATOM 584 CG ASN A 43 2.683 11.205 -6.693 1.00 0.00 C ATOM 585 OD1 ASN A 43 2.387 11.744 -7.748 1.00 0.00 O ATOM 586 ND2 ASN A 43 2.357 11.685 -5.497 1.00 0.00 N ATOM 0 H ASN A 43 1.702 8.613 -4.402 1.00 0.00 H new ATOM 0 HA ASN A 43 1.538 8.960 -6.591 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.266 9.973 -5.901 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.957 9.725 -7.608 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.828 12.554 -5.423 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.636 11.184 -4.653 1.00 0.00 H new ATOM 593 N ASN A 44 4.348 7.533 -7.411 1.00 0.00 N ATOM 594 CA ASN A 44 4.965 6.440 -8.144 1.00 0.00 C ATOM 595 C ASN A 44 6.147 6.976 -8.954 1.00 0.00 C ATOM 596 O ASN A 44 6.300 8.187 -9.108 1.00 0.00 O ATOM 597 CB ASN A 44 3.974 5.802 -9.119 1.00 0.00 C ATOM 598 CG ASN A 44 3.844 6.639 -10.393 1.00 0.00 C ATOM 599 OD1 ASN A 44 3.055 7.565 -10.482 1.00 0.00 O ATOM 600 ND2 ASN A 44 4.660 6.262 -11.374 1.00 0.00 N ATOM 0 H ASN A 44 4.976 8.305 -7.188 1.00 0.00 H new ATOM 0 HA ASN A 44 5.292 5.692 -7.421 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.305 4.795 -9.373 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.999 5.706 -8.641 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.649 6.757 -12.266 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.297 5.478 -11.234 1.00 0.00 H new ATOM 607 N TYR A 45 6.953 6.049 -9.450 1.00 0.00 N ATOM 608 CA TYR A 45 8.116 6.414 -10.240 1.00 0.00 C ATOM 609 C TYR A 45 8.874 5.169 -10.707 1.00 0.00 C ATOM 610 O TYR A 45 9.221 5.053 -11.881 1.00 0.00 O ATOM 611 CB TYR A 45 9.018 7.228 -9.311 1.00 0.00 C ATOM 612 CG TYR A 45 8.864 8.743 -9.464 1.00 0.00 C ATOM 613 CD1 TYR A 45 7.963 9.256 -10.372 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.628 9.595 -8.692 1.00 0.00 C ATOM 615 CE1 TYR A 45 7.818 10.682 -10.517 1.00 0.00 C ATOM 616 CE2 TYR A 45 9.483 11.020 -8.836 1.00 0.00 C ATOM 617 CZ TYR A 45 8.584 11.493 -9.741 1.00 0.00 C ATOM 618 OH TYR A 45 8.448 12.839 -9.876 1.00 0.00 O ATOM 0 H TYR A 45 6.823 5.046 -9.320 1.00 0.00 H new ATOM 0 HA TYR A 45 7.818 6.972 -11.127 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.801 6.954 -8.279 1.00 0.00 H new ATOM 0 HB3 TYR A 45 10.057 6.958 -9.501 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.365 8.589 -10.975 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.334 9.193 -7.981 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.117 11.097 -11.226 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.075 11.698 -8.239 1.00 0.00 H new ATOM 0 HH TYR A 45 9.058 13.293 -9.257 1.00 0.00 H new ATOM 628 N GLU A 46 9.109 4.270 -9.762 1.00 0.00 N ATOM 629 CA GLU A 46 9.819 3.039 -10.061 1.00 0.00 C ATOM 630 C GLU A 46 9.272 2.407 -11.343 1.00 0.00 C ATOM 631 O GLU A 46 9.934 1.577 -11.962 1.00 0.00 O ATOM 632 CB GLU A 46 9.737 2.059 -8.889 1.00 0.00 C ATOM 633 CG GLU A 46 10.379 2.652 -7.633 1.00 0.00 C ATOM 634 CD GLU A 46 10.245 1.696 -6.446 1.00 0.00 C ATOM 635 OE1 GLU A 46 9.115 1.599 -5.921 1.00 0.00 O ATOM 636 OE2 GLU A 46 11.276 1.086 -6.090 1.00 0.00 O ATOM 0 H GLU A 46 8.820 4.370 -8.789 1.00 0.00 H new ATOM 0 HA GLU A 46 10.871 3.279 -10.218 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.694 1.814 -8.688 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.238 1.128 -9.153 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.433 2.858 -7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.906 3.604 -7.393 1.00 0.00 H new ATOM 643 N GLY A 47 8.067 2.827 -11.702 1.00 0.00 N ATOM 644 CA GLY A 47 7.422 2.313 -12.899 1.00 0.00 C ATOM 645 C GLY A 47 6.174 1.503 -12.544 1.00 0.00 C ATOM 646 O GLY A 47 6.049 0.344 -12.935 1.00 0.00 O ATOM 0 H GLY A 47 7.521 3.517 -11.186 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.149 3.141 -13.553 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.121 1.687 -13.453 1.00 0.00 H new ATOM 650 N PHE A 48 5.280 2.147 -11.807 1.00 0.00 N ATOM 651 CA PHE A 48 4.045 1.502 -11.395 1.00 0.00 C ATOM 652 C PHE A 48 2.886 1.901 -12.311 1.00 0.00 C ATOM 653 O PHE A 48 2.736 3.072 -12.654 1.00 0.00 O ATOM 654 CB PHE A 48 3.744 1.980 -9.973 1.00 0.00 C ATOM 655 CG PHE A 48 4.739 1.479 -8.925 1.00 0.00 C ATOM 656 CD1 PHE A 48 4.584 0.245 -8.374 1.00 0.00 C ATOM 657 CD2 PHE A 48 5.779 2.268 -8.543 1.00 0.00 C ATOM 658 CE1 PHE A 48 5.508 -0.220 -7.401 1.00 0.00 C ATOM 659 CE2 PHE A 48 6.703 1.803 -7.570 1.00 0.00 C ATOM 660 CZ PHE A 48 6.548 0.570 -7.020 1.00 0.00 C ATOM 0 H PHE A 48 5.387 3.109 -11.485 1.00 0.00 H new ATOM 0 HA PHE A 48 4.156 0.419 -11.445 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.737 3.070 -9.961 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.743 1.652 -9.695 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.758 -0.381 -8.677 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.902 3.248 -8.980 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.385 -1.200 -6.964 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.529 2.429 -7.267 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.251 0.217 -6.280 1.00 0.00 H new ATOM 670 N ASP A 49 2.095 0.904 -12.680 1.00 0.00 N ATOM 671 CA ASP A 49 0.955 1.136 -13.549 1.00 0.00 C ATOM 672 C ASP A 49 -0.309 1.278 -12.698 1.00 0.00 C ATOM 673 O ASP A 49 -1.192 0.423 -12.742 1.00 0.00 O ATOM 674 CB ASP A 49 0.747 -0.036 -14.511 1.00 0.00 C ATOM 675 CG ASP A 49 2.021 -0.793 -14.892 1.00 0.00 C ATOM 676 OD1 ASP A 49 2.612 -1.405 -13.976 1.00 0.00 O ATOM 677 OD2 ASP A 49 2.374 -0.743 -16.090 1.00 0.00 O ATOM 0 H ASP A 49 2.222 -0.066 -12.393 1.00 0.00 H new ATOM 0 HA ASP A 49 1.148 2.043 -14.122 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.047 -0.738 -14.059 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.279 0.339 -15.421 1.00 0.00 H new ATOM 682 N PHE A 50 -0.355 2.366 -11.942 1.00 0.00 N ATOM 683 CA PHE A 50 -1.496 2.631 -11.082 1.00 0.00 C ATOM 684 C PHE A 50 -2.711 3.070 -11.902 1.00 0.00 C ATOM 685 O PHE A 50 -2.828 4.239 -12.267 1.00 0.00 O ATOM 686 CB PHE A 50 -1.092 3.768 -10.142 1.00 0.00 C ATOM 687 CG PHE A 50 -0.058 3.367 -9.088 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.379 2.081 -9.019 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.424 4.296 -8.220 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.339 1.708 -8.041 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.383 3.923 -7.242 1.00 0.00 C ATOM 692 CZ PHE A 50 1.820 2.638 -7.173 1.00 0.00 C ATOM 0 H PHE A 50 0.379 3.073 -11.907 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.768 1.728 -10.535 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.691 4.590 -10.735 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.983 4.143 -9.638 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.004 1.343 -9.708 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.077 5.317 -8.275 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.687 0.687 -7.987 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.766 4.661 -6.552 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.550 2.355 -6.429 1.00 0.00 H new ATOM 702 N SER A 51 -3.584 2.110 -12.167 1.00 0.00 N ATOM 703 CA SER A 51 -4.786 2.383 -12.938 1.00 0.00 C ATOM 704 C SER A 51 -5.781 3.176 -12.090 1.00 0.00 C ATOM 705 O SER A 51 -6.992 3.058 -12.276 1.00 0.00 O ATOM 706 CB SER A 51 -5.427 1.087 -13.436 1.00 0.00 C ATOM 707 OG SER A 51 -5.877 0.266 -12.362 1.00 0.00 O ATOM 0 H SER A 51 -3.484 1.142 -11.862 1.00 0.00 H new ATOM 0 HA SER A 51 -4.507 2.976 -13.809 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.268 1.326 -14.087 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.706 0.534 -14.037 1.00 0.00 H new ATOM 0 HG SER A 51 -6.282 -0.551 -12.722 1.00 0.00 H new ATOM 713 N VAL A 52 -5.236 3.966 -11.177 1.00 0.00 N ATOM 714 CA VAL A 52 -6.062 4.779 -10.300 1.00 0.00 C ATOM 715 C VAL A 52 -5.598 6.234 -10.375 1.00 0.00 C ATOM 716 O VAL A 52 -4.470 6.511 -10.778 1.00 0.00 O ATOM 717 CB VAL A 52 -6.028 4.213 -8.879 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.429 2.737 -8.866 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.652 4.413 -8.241 1.00 0.00 C ATOM 0 H VAL A 52 -4.232 4.061 -11.025 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.103 4.753 -10.622 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.756 4.763 -8.283 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.396 2.360 -7.844 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.440 2.631 -9.260 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.737 2.166 -9.485 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.656 4.002 -7.232 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.896 3.902 -8.838 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.422 5.478 -8.198 1.00 0.00 H new ATOM 729 N SER A 53 -6.493 7.128 -9.980 1.00 0.00 N ATOM 730 CA SER A 53 -6.192 8.549 -9.998 1.00 0.00 C ATOM 731 C SER A 53 -5.524 8.958 -8.683 1.00 0.00 C ATOM 732 O SER A 53 -5.862 8.436 -7.622 1.00 0.00 O ATOM 733 CB SER A 53 -7.456 9.378 -10.231 1.00 0.00 C ATOM 734 OG SER A 53 -7.156 10.750 -10.476 1.00 0.00 O ATOM 0 H SER A 53 -7.428 6.895 -9.645 1.00 0.00 H new ATOM 0 HA SER A 53 -5.507 8.743 -10.823 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.006 8.970 -11.079 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.107 9.299 -9.361 1.00 0.00 H new ATOM 0 HG SER A 53 -7.989 11.246 -10.622 1.00 0.00 H new ATOM 740 N SER A 54 -4.587 9.888 -8.796 1.00 0.00 N ATOM 741 CA SER A 54 -3.869 10.373 -7.630 1.00 0.00 C ATOM 742 C SER A 54 -4.811 11.181 -6.735 1.00 0.00 C ATOM 743 O SER A 54 -5.947 11.462 -7.115 1.00 0.00 O ATOM 744 CB SER A 54 -2.665 11.225 -8.039 1.00 0.00 C ATOM 745 OG SER A 54 -2.983 12.613 -8.082 1.00 0.00 O ATOM 0 H SER A 54 -4.308 10.319 -9.678 1.00 0.00 H new ATOM 0 HA SER A 54 -3.498 9.512 -7.074 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.849 11.062 -7.335 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.310 10.904 -9.018 1.00 0.00 H new ATOM 0 HG SER A 54 -2.188 13.123 -8.345 1.00 0.00 H new ATOM 751 N PRO A 55 -4.291 11.541 -5.530 1.00 0.00 N ATOM 752 CA PRO A 55 -2.936 11.168 -5.158 1.00 0.00 C ATOM 753 C PRO A 55 -2.859 9.685 -4.787 1.00 0.00 C ATOM 754 O PRO A 55 -3.872 9.071 -4.456 1.00 0.00 O ATOM 755 CB PRO A 55 -2.578 12.089 -4.003 1.00 0.00 C ATOM 756 CG PRO A 55 -3.898 12.621 -3.470 1.00 0.00 C ATOM 757 CD PRO A 55 -4.975 12.311 -4.496 1.00 0.00 C ATOM 0 HA PRO A 55 -2.227 11.285 -5.977 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.033 11.550 -3.228 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.935 12.903 -4.337 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.138 12.157 -2.513 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.834 13.695 -3.296 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.792 11.741 -4.053 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.408 13.224 -4.904 1.00 0.00 H new ATOM 765 N TYR A 56 -1.648 9.154 -4.855 1.00 0.00 N ATOM 766 CA TYR A 56 -1.424 7.756 -4.530 1.00 0.00 C ATOM 767 C TYR A 56 -0.851 7.605 -3.120 1.00 0.00 C ATOM 768 O TYR A 56 0.253 8.071 -2.842 1.00 0.00 O ATOM 769 CB TYR A 56 -0.397 7.246 -5.543 1.00 0.00 C ATOM 770 CG TYR A 56 -0.907 7.217 -6.985 1.00 0.00 C ATOM 771 CD1 TYR A 56 -2.211 6.848 -7.250 1.00 0.00 C ATOM 772 CD2 TYR A 56 -0.063 7.559 -8.022 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.690 6.821 -8.607 1.00 0.00 C ATOM 774 CE2 TYR A 56 -0.544 7.532 -9.379 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.833 7.164 -9.605 1.00 0.00 C ATOM 776 OH TYR A 56 -2.286 7.138 -10.888 1.00 0.00 O ATOM 0 H TYR A 56 -0.811 9.667 -5.131 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.360 7.199 -4.568 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.490 7.877 -5.495 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.088 6.240 -5.257 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.872 6.580 -6.439 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.957 7.847 -7.816 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.708 6.535 -8.828 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.105 7.798 -10.200 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.143 6.664 -10.923 1.00 0.00 H new ATOM 786 N TYR A 57 -1.626 6.951 -2.267 1.00 0.00 N ATOM 787 CA TYR A 57 -1.208 6.733 -0.892 1.00 0.00 C ATOM 788 C TYR A 57 -0.623 5.331 -0.713 1.00 0.00 C ATOM 789 O TYR A 57 -1.162 4.358 -1.236 1.00 0.00 O ATOM 790 CB TYR A 57 -2.474 6.858 -0.042 1.00 0.00 C ATOM 791 CG TYR A 57 -3.195 8.198 -0.193 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.516 9.297 -0.676 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.526 8.307 0.155 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.195 10.559 -0.817 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.206 9.570 0.013 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.506 10.633 -0.465 1.00 0.00 C ATOM 797 OH TYR A 57 -5.148 11.825 -0.599 1.00 0.00 O ATOM 0 H TYR A 57 -2.541 6.565 -2.501 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.440 7.451 -0.605 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.161 6.055 -0.311 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.211 6.715 1.006 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.475 9.211 -0.949 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.058 7.447 0.533 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.675 11.427 -1.194 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.248 9.670 0.280 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.915 12.408 0.153 1.00 0.00 H new ATOM 807 N GLU A 58 0.473 5.272 0.030 1.00 0.00 N ATOM 808 CA GLU A 58 1.137 4.006 0.285 1.00 0.00 C ATOM 809 C GLU A 58 0.812 3.510 1.696 1.00 0.00 C ATOM 810 O GLU A 58 0.838 4.285 2.651 1.00 0.00 O ATOM 811 CB GLU A 58 2.648 4.128 0.082 1.00 0.00 C ATOM 812 CG GLU A 58 3.255 5.128 1.068 1.00 0.00 C ATOM 813 CD GLU A 58 3.354 4.524 2.470 1.00 0.00 C ATOM 814 OE1 GLU A 58 3.879 3.394 2.566 1.00 0.00 O ATOM 815 OE2 GLU A 58 2.903 5.207 3.415 1.00 0.00 O ATOM 0 H GLU A 58 0.917 6.081 0.463 1.00 0.00 H new ATOM 0 HA GLU A 58 0.765 3.273 -0.431 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.116 3.152 0.214 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.857 4.447 -0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.246 5.426 0.726 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.644 6.030 1.099 1.00 0.00 H new ATOM 822 N TRP A 59 0.512 2.222 1.782 1.00 0.00 N ATOM 823 CA TRP A 59 0.182 1.615 3.060 1.00 0.00 C ATOM 824 C TRP A 59 0.639 0.155 3.021 1.00 0.00 C ATOM 825 O TRP A 59 0.627 -0.475 1.965 1.00 0.00 O ATOM 826 CB TRP A 59 -1.309 1.766 3.370 1.00 0.00 C ATOM 827 CG TRP A 59 -1.798 0.886 4.522 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.369 -0.324 4.451 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.733 1.199 5.930 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.677 -0.812 5.705 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.278 0.143 6.633 1.00 0.00 C ATOM 832 CE3 TRP A 59 -1.231 2.335 6.588 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.374 0.119 8.029 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -1.334 2.296 7.984 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.880 1.241 8.706 1.00 0.00 C ATOM 0 H TRP A 59 0.491 1.583 0.988 1.00 0.00 H new ATOM 0 HA TRP A 59 0.701 2.122 3.873 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.516 2.809 3.610 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.882 1.526 2.474 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.564 -0.851 3.529 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.117 -1.709 5.913 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.800 3.172 6.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.806 -0.719 8.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.963 3.145 8.539 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.923 1.286 9.784 1.00 0.00 H new ATOM 846 N PRO A 60 1.042 -0.353 4.217 1.00 0.00 N ATOM 847 CA PRO A 60 1.502 -1.726 4.330 1.00 0.00 C ATOM 848 C PRO A 60 0.326 -2.704 4.271 1.00 0.00 C ATOM 849 O PRO A 60 -0.808 -2.337 4.573 1.00 0.00 O ATOM 850 CB PRO A 60 2.256 -1.781 5.648 1.00 0.00 C ATOM 851 CG PRO A 60 1.796 -0.569 6.442 1.00 0.00 C ATOM 852 CD PRO A 60 1.070 0.365 5.489 1.00 0.00 C ATOM 0 HA PRO A 60 2.149 -2.023 3.505 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.038 -2.705 6.184 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.333 -1.754 5.483 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.136 -0.873 7.255 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.649 -0.064 6.896 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.062 0.586 5.842 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.591 1.318 5.395 1.00 0.00 H new ATOM 860 N ILE A 61 0.639 -3.931 3.881 1.00 0.00 N ATOM 861 CA ILE A 61 -0.377 -4.966 3.778 1.00 0.00 C ATOM 862 C ILE A 61 -0.016 -6.122 4.713 1.00 0.00 C ATOM 863 O ILE A 61 1.111 -6.614 4.691 1.00 0.00 O ATOM 864 CB ILE A 61 -0.565 -5.389 2.320 1.00 0.00 C ATOM 865 CG1 ILE A 61 -1.869 -6.169 2.140 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.648 -6.174 1.816 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.278 -6.221 0.667 1.00 0.00 C ATOM 0 H ILE A 61 1.581 -4.232 3.633 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.345 -4.584 4.101 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.641 -4.489 1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.747 -7.182 2.523 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.661 -5.701 2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.489 -6.463 0.777 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.540 -5.551 1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.781 -7.068 2.425 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.208 -6.781 0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.423 -5.207 0.294 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.495 -6.712 0.089 1.00 0.00 H new ATOM 879 N LEU A 62 -0.995 -6.523 5.511 1.00 0.00 N ATOM 880 CA LEU A 62 -0.795 -7.612 6.452 1.00 0.00 C ATOM 881 C LEU A 62 -1.287 -8.918 5.824 1.00 0.00 C ATOM 882 O LEU A 62 -2.446 -9.021 5.424 1.00 0.00 O ATOM 883 CB LEU A 62 -1.454 -7.289 7.794 1.00 0.00 C ATOM 884 CG LEU A 62 -0.753 -6.230 8.647 1.00 0.00 C ATOM 885 CD1 LEU A 62 -1.629 -5.809 9.828 1.00 0.00 C ATOM 886 CD2 LEU A 62 0.625 -6.715 9.101 1.00 0.00 C ATOM 0 H LEU A 62 -1.929 -6.113 5.525 1.00 0.00 H new ATOM 0 HA LEU A 62 0.266 -7.740 6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.475 -6.957 7.605 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.520 -8.209 8.375 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.596 -5.345 8.030 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.107 -5.056 10.418 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.566 -5.394 9.456 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.839 -6.677 10.453 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.101 -5.943 9.706 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.514 -7.623 9.694 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.243 -6.925 8.228 1.00 0.00 H new ATOM 898 N SER A 63 -0.383 -9.884 5.758 1.00 0.00 N ATOM 899 CA SER A 63 -0.710 -11.179 5.187 1.00 0.00 C ATOM 900 C SER A 63 -1.768 -11.877 6.043 1.00 0.00 C ATOM 901 O SER A 63 -2.189 -12.990 5.732 1.00 0.00 O ATOM 902 CB SER A 63 0.537 -12.057 5.062 1.00 0.00 C ATOM 903 OG SER A 63 1.605 -11.377 4.409 1.00 0.00 O ATOM 0 H SER A 63 0.577 -9.795 6.091 1.00 0.00 H new ATOM 0 HA SER A 63 -1.110 -11.020 4.186 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.860 -12.371 6.054 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.289 -12.961 4.506 1.00 0.00 H new ATOM 0 HG SER A 63 2.383 -11.970 4.350 1.00 0.00 H new ATOM 909 N SER A 64 -2.167 -11.194 7.107 1.00 0.00 N ATOM 910 CA SER A 64 -3.168 -11.735 8.011 1.00 0.00 C ATOM 911 C SER A 64 -4.520 -11.065 7.756 1.00 0.00 C ATOM 912 O SER A 64 -5.537 -11.484 8.306 1.00 0.00 O ATOM 913 CB SER A 64 -2.749 -11.548 9.470 1.00 0.00 C ATOM 914 OG SER A 64 -1.999 -12.657 9.957 1.00 0.00 O ATOM 0 H SER A 64 -1.815 -10.271 7.363 1.00 0.00 H new ATOM 0 HA SER A 64 -3.259 -12.805 7.821 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.154 -10.639 9.563 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.637 -11.412 10.087 1.00 0.00 H new ATOM 0 HG SER A 64 -1.749 -12.498 10.891 1.00 0.00 H new ATOM 920 N GLY A 65 -4.486 -10.037 6.922 1.00 0.00 N ATOM 921 CA GLY A 65 -5.697 -9.305 6.587 1.00 0.00 C ATOM 922 C GLY A 65 -6.116 -8.384 7.735 1.00 0.00 C ATOM 923 O GLY A 65 -7.301 -8.269 8.042 1.00 0.00 O ATOM 0 H GLY A 65 -3.640 -9.693 6.468 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.532 -8.716 5.685 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.501 -10.007 6.367 1.00 0.00 H new ATOM 927 N ASP A 66 -5.119 -7.752 8.338 1.00 0.00 N ATOM 928 CA ASP A 66 -5.369 -6.845 9.446 1.00 0.00 C ATOM 929 C ASP A 66 -4.832 -5.456 9.093 1.00 0.00 C ATOM 930 O ASP A 66 -4.514 -5.185 7.936 1.00 0.00 O ATOM 931 CB ASP A 66 -4.661 -7.318 10.716 1.00 0.00 C ATOM 932 CG ASP A 66 -5.215 -8.609 11.322 1.00 0.00 C ATOM 933 OD1 ASP A 66 -4.805 -9.685 10.839 1.00 0.00 O ATOM 934 OD2 ASP A 66 -6.037 -8.490 12.256 1.00 0.00 O ATOM 0 H ASP A 66 -4.137 -7.850 8.080 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.444 -6.817 9.623 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.604 -7.464 10.492 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.722 -6.528 11.464 1.00 0.00 H new ATOM 939 N VAL A 67 -4.745 -4.614 10.113 1.00 0.00 N ATOM 940 CA VAL A 67 -4.250 -3.261 9.926 1.00 0.00 C ATOM 941 C VAL A 67 -2.861 -3.139 10.555 1.00 0.00 C ATOM 942 O VAL A 67 -2.689 -3.404 11.744 1.00 0.00 O ATOM 943 CB VAL A 67 -5.254 -2.255 10.491 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.606 -0.882 10.683 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.493 -2.155 9.598 1.00 0.00 C ATOM 0 H VAL A 67 -5.009 -4.843 11.071 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.146 -3.035 8.865 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.574 -2.615 11.469 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.342 -0.186 11.086 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.770 -0.968 11.377 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.244 -0.513 9.723 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.190 -1.433 10.023 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.197 -1.830 8.600 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.975 -3.131 9.534 1.00 0.00 H new ATOM 955 N TYR A 68 -1.906 -2.736 9.731 1.00 0.00 N ATOM 956 CA TYR A 68 -0.537 -2.575 10.192 1.00 0.00 C ATOM 957 C TYR A 68 -0.395 -1.321 11.057 1.00 0.00 C ATOM 958 O TYR A 68 -0.941 -0.270 10.728 1.00 0.00 O ATOM 959 CB TYR A 68 0.315 -2.412 8.933 1.00 0.00 C ATOM 960 CG TYR A 68 1.318 -3.546 8.709 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.230 -3.865 9.695 1.00 0.00 C ATOM 962 CD2 TYR A 68 1.312 -4.249 7.521 1.00 0.00 C ATOM 963 CE1 TYR A 68 3.173 -4.932 9.484 1.00 0.00 C ATOM 964 CE2 TYR A 68 2.255 -5.316 7.311 1.00 0.00 C ATOM 965 CZ TYR A 68 3.140 -5.605 8.302 1.00 0.00 C ATOM 966 OH TYR A 68 4.031 -6.613 8.104 1.00 0.00 O ATOM 0 H TYR A 68 -2.053 -2.516 8.746 1.00 0.00 H new ATOM 0 HA TYR A 68 -0.231 -3.430 10.795 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -0.344 -2.347 8.067 1.00 0.00 H new ATOM 0 HB3 TYR A 68 0.857 -1.468 8.993 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.236 -3.314 10.624 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.600 -3.998 6.749 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.891 -5.193 10.247 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.260 -5.875 6.387 1.00 0.00 H new ATOM 0 HH TYR A 68 3.890 -7.004 7.217 1.00 0.00 H new ATOM 976 N SER A 69 0.343 -1.473 12.146 1.00 0.00 N ATOM 977 CA SER A 69 0.566 -0.366 13.061 1.00 0.00 C ATOM 978 C SER A 69 1.849 -0.597 13.861 1.00 0.00 C ATOM 979 O SER A 69 1.807 -0.741 15.082 1.00 0.00 O ATOM 980 CB SER A 69 -0.624 -0.186 14.006 1.00 0.00 C ATOM 981 OG SER A 69 -0.707 -1.237 14.966 1.00 0.00 O ATOM 0 H SER A 69 0.795 -2.347 12.416 1.00 0.00 H new ATOM 0 HA SER A 69 0.672 0.547 12.474 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.536 0.770 14.522 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.546 -0.151 13.426 1.00 0.00 H new ATOM 0 HG SER A 69 0.138 -1.298 15.459 1.00 0.00 H new ATOM 987 N GLY A 70 2.961 -0.626 13.140 1.00 0.00 N ATOM 988 CA GLY A 70 4.254 -0.837 13.767 1.00 0.00 C ATOM 989 C GLY A 70 5.315 0.084 13.161 1.00 0.00 C ATOM 990 O GLY A 70 5.930 0.879 13.870 1.00 0.00 O ATOM 0 H GLY A 70 2.992 -0.507 12.127 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.177 -0.653 14.839 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.557 -1.877 13.643 1.00 0.00 H new ATOM 994 N GLY A 71 5.496 -0.054 11.856 1.00 0.00 N ATOM 995 CA GLY A 71 6.471 0.756 11.146 1.00 0.00 C ATOM 996 C GLY A 71 7.362 -0.114 10.256 1.00 0.00 C ATOM 997 O GLY A 71 7.983 0.384 9.318 1.00 0.00 O ATOM 0 H GLY A 71 4.984 -0.715 11.272 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.957 1.499 10.537 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.087 1.301 11.862 1.00 0.00 H new ATOM 1001 N SER A 72 7.396 -1.398 10.582 1.00 0.00 N ATOM 1002 CA SER A 72 8.201 -2.341 9.824 1.00 0.00 C ATOM 1003 C SER A 72 7.307 -3.430 9.228 1.00 0.00 C ATOM 1004 O SER A 72 7.465 -4.608 9.542 1.00 0.00 O ATOM 1005 CB SER A 72 9.289 -2.966 10.700 1.00 0.00 C ATOM 1006 OG SER A 72 10.035 -3.957 10.000 1.00 0.00 O ATOM 0 H SER A 72 6.879 -1.807 11.360 1.00 0.00 H new ATOM 0 HA SER A 72 8.692 -1.800 9.015 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.964 -2.186 11.052 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.831 -3.413 11.582 1.00 0.00 H new ATOM 0 HG SER A 72 9.434 -4.675 9.711 1.00 0.00 H new ATOM 1012 N PRO A 73 6.363 -2.986 8.356 1.00 0.00 N ATOM 1013 CA PRO A 73 5.445 -3.910 7.713 1.00 0.00 C ATOM 1014 C PRO A 73 6.145 -4.699 6.606 1.00 0.00 C ATOM 1015 O PRO A 73 5.635 -4.799 5.491 1.00 0.00 O ATOM 1016 CB PRO A 73 4.310 -3.040 7.195 1.00 0.00 C ATOM 1017 CG PRO A 73 4.856 -1.622 7.157 1.00 0.00 C ATOM 1018 CD PRO A 73 6.147 -1.598 7.960 1.00 0.00 C ATOM 0 HA PRO A 73 5.067 -4.671 8.396 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.992 -3.363 6.204 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.439 -3.106 7.847 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.040 -1.311 6.129 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.132 -0.923 7.576 1.00 0.00 H new ATOM 0 HD2 PRO A 73 6.978 -1.223 7.363 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.060 -0.947 8.830 1.00 0.00 H new ATOM 1026 N GLY A 74 7.304 -5.240 6.952 1.00 0.00 N ATOM 1027 CA GLY A 74 8.081 -6.018 6.001 1.00 0.00 C ATOM 1028 C GLY A 74 8.461 -5.173 4.783 1.00 0.00 C ATOM 1029 O GLY A 74 9.273 -4.255 4.889 1.00 0.00 O ATOM 0 H GLY A 74 7.724 -5.155 7.878 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.983 -6.393 6.484 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.506 -6.887 5.680 1.00 0.00 H new ATOM 1033 N ALA A 75 7.857 -5.514 3.655 1.00 0.00 N ATOM 1034 CA ALA A 75 8.122 -4.798 2.418 1.00 0.00 C ATOM 1035 C ALA A 75 6.817 -4.640 1.636 1.00 0.00 C ATOM 1036 O ALA A 75 6.637 -3.662 0.912 1.00 0.00 O ATOM 1037 CB ALA A 75 9.195 -5.541 1.619 1.00 0.00 C ATOM 0 H ALA A 75 7.185 -6.277 3.571 1.00 0.00 H new ATOM 0 HA ALA A 75 8.504 -3.799 2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.394 -5.005 0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.111 -5.601 2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.845 -6.547 1.388 1.00 0.00 H new ATOM 1043 N ASP A 76 5.940 -5.619 1.806 1.00 0.00 N ATOM 1044 CA ASP A 76 4.657 -5.600 1.125 1.00 0.00 C ATOM 1045 C ASP A 76 3.859 -4.377 1.581 1.00 0.00 C ATOM 1046 O ASP A 76 3.672 -4.165 2.778 1.00 0.00 O ATOM 1047 CB ASP A 76 3.838 -6.850 1.458 1.00 0.00 C ATOM 1048 CG ASP A 76 4.657 -8.128 1.646 1.00 0.00 C ATOM 1049 OD1 ASP A 76 5.741 -8.205 1.026 1.00 0.00 O ATOM 1050 OD2 ASP A 76 4.182 -8.999 2.407 1.00 0.00 O ATOM 0 H ASP A 76 6.093 -6.430 2.405 1.00 0.00 H new ATOM 0 HA ASP A 76 4.846 -5.567 0.052 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.271 -6.662 2.370 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.114 -7.015 0.660 1.00 0.00 H new ATOM 1055 N ARG A 77 3.410 -3.603 0.604 1.00 0.00 N ATOM 1056 CA ARG A 77 2.638 -2.407 0.890 1.00 0.00 C ATOM 1057 C ARG A 77 1.633 -2.143 -0.233 1.00 0.00 C ATOM 1058 O ARG A 77 1.916 -2.409 -1.400 1.00 0.00 O ATOM 1059 CB ARG A 77 3.548 -1.188 1.048 1.00 0.00 C ATOM 1060 CG ARG A 77 4.800 -1.540 1.854 1.00 0.00 C ATOM 1061 CD ARG A 77 4.641 -1.134 3.320 1.00 0.00 C ATOM 1062 NE ARG A 77 5.926 -0.621 3.847 1.00 0.00 N ATOM 1063 CZ ARG A 77 6.830 -1.375 4.486 1.00 0.00 C ATOM 1064 NH1 ARG A 77 6.597 -2.679 4.683 1.00 0.00 N ATOM 1065 NH2 ARG A 77 7.969 -0.823 4.929 1.00 0.00 N ATOM 0 H ARG A 77 3.567 -3.782 -0.388 1.00 0.00 H new ATOM 0 HA ARG A 77 2.106 -2.572 1.827 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.837 -0.815 0.065 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.004 -0.386 1.546 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.990 -2.611 1.788 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.666 -1.036 1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.870 -0.369 3.412 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.313 -1.990 3.909 1.00 0.00 H new ATOM 0 HE ARG A 77 6.136 0.368 3.715 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.731 -3.099 4.346 1.00 0.00 H new ATOM 0 HH12 ARG A 77 7.286 -3.252 5.170 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.146 0.170 4.779 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.658 -1.396 5.416 1.00 0.00 H new ATOM 1079 N VAL A 78 0.479 -1.623 0.159 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.570 -1.320 -0.801 1.00 0.00 C ATOM 1081 C VAL A 78 -0.627 0.193 -1.026 1.00 0.00 C ATOM 1082 O VAL A 78 -0.523 0.970 -0.078 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.901 -1.903 -0.323 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -2.178 -3.253 -0.990 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -1.929 -2.028 1.201 1.00 0.00 C ATOM 0 H VAL A 78 0.247 -1.404 1.128 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.354 -1.785 -1.763 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.694 -1.215 -0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.130 -3.646 -0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.221 -3.122 -2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.380 -3.953 -0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.886 -2.445 1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.123 -2.685 1.527 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.798 -1.043 1.649 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.791 0.565 -2.287 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.863 1.971 -2.649 1.00 0.00 C ATOM 1097 C VAL A 79 -2.275 2.295 -3.139 1.00 0.00 C ATOM 1098 O VAL A 79 -2.869 1.520 -3.887 1.00 0.00 O ATOM 1099 CB VAL A 79 0.219 2.302 -3.680 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.047 3.724 -4.218 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.617 2.103 -3.090 1.00 0.00 C ATOM 0 H VAL A 79 -0.876 -0.082 -3.071 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.668 2.600 -1.780 1.00 0.00 H new ATOM 0 HB VAL A 79 0.108 1.612 -4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.828 3.934 -4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.929 3.817 -4.694 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.119 4.435 -3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.367 2.345 -3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.744 2.757 -2.227 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.736 1.065 -2.779 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.772 3.442 -2.698 1.00 0.00 N ATOM 1112 CA PHE A 80 -4.103 3.878 -3.082 1.00 0.00 C ATOM 1113 C PHE A 80 -4.177 5.404 -3.166 1.00 0.00 C ATOM 1114 O PHE A 80 -3.149 6.076 -3.218 1.00 0.00 O ATOM 1115 CB PHE A 80 -5.064 3.392 -1.996 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.871 4.076 -0.642 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.722 3.885 0.059 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.849 4.878 -0.140 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.543 4.521 1.316 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.670 5.514 1.116 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.520 5.322 1.819 1.00 0.00 C ATOM 0 H PHE A 80 -2.276 4.082 -2.078 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.358 3.474 -4.062 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.088 3.556 -2.332 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.939 2.317 -1.869 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.945 3.250 -0.340 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.761 5.031 -0.697 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.630 4.368 1.873 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.446 6.151 1.514 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.384 5.805 2.775 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.404 5.905 -3.179 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.625 7.339 -3.255 1.00 0.00 C ATOM 1133 C ASN A 81 -6.690 7.741 -2.234 1.00 0.00 C ATOM 1134 O ASN A 81 -7.115 6.923 -1.419 1.00 0.00 O ATOM 1135 CB ASN A 81 -6.125 7.745 -4.644 1.00 0.00 C ATOM 1136 CG ASN A 81 -5.689 6.730 -5.703 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -4.788 6.966 -6.492 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -6.374 5.591 -5.674 1.00 0.00 N ATOM 0 H ASN A 81 -6.255 5.344 -3.138 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.678 7.838 -3.051 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.212 7.822 -4.635 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.738 8.731 -4.900 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.157 4.849 -6.339 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.116 5.460 -4.987 1.00 0.00 H new ATOM 1145 N GLU A 82 -7.091 9.002 -2.309 1.00 0.00 N ATOM 1146 CA GLU A 82 -8.098 9.523 -1.401 1.00 0.00 C ATOM 1147 C GLU A 82 -9.499 9.270 -1.961 1.00 0.00 C ATOM 1148 O GLU A 82 -10.473 9.859 -1.494 1.00 0.00 O ATOM 1149 CB GLU A 82 -7.875 11.013 -1.132 1.00 0.00 C ATOM 1150 CG GLU A 82 -9.053 11.612 -0.360 1.00 0.00 C ATOM 1151 CD GLU A 82 -9.570 10.634 0.697 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -8.715 10.019 1.368 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -10.811 10.524 0.808 1.00 0.00 O ATOM 0 H GLU A 82 -6.736 9.678 -2.985 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.008 8.999 -0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.955 11.150 -0.563 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.748 11.542 -2.077 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -8.744 12.541 0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.856 11.863 -1.053 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.556 8.394 -2.952 1.00 0.00 N ATOM 1161 CA ASN A 83 -10.822 8.057 -3.580 1.00 0.00 C ATOM 1162 C ASN A 83 -11.259 6.663 -3.123 1.00 0.00 C ATOM 1163 O ASN A 83 -12.445 6.341 -3.147 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.692 8.033 -5.105 1.00 0.00 C ATOM 1165 CG ASN A 83 -9.222 8.015 -5.529 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -8.553 9.033 -5.584 1.00 0.00 O ATOM 1167 ND2 ASN A 83 -8.759 6.804 -5.825 1.00 0.00 N ATOM 0 H ASN A 83 -8.746 7.907 -3.336 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.552 8.813 -3.291 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.200 7.155 -5.503 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -11.186 8.907 -5.530 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.789 6.687 -6.119 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -9.373 5.993 -5.758 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.275 5.874 -2.714 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.542 4.524 -2.250 1.00 0.00 C ATOM 1176 C ASN A 84 -10.091 3.525 -3.318 1.00 0.00 C ATOM 1177 O ASN A 84 -10.587 2.400 -3.371 1.00 0.00 O ATOM 1178 CB ASN A 84 -12.037 4.311 -2.006 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.760 3.956 -3.307 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -13.797 3.313 -3.316 1.00 0.00 O ATOM 1181 ND2 ASN A 84 -12.157 4.408 -4.402 1.00 0.00 N ATOM 0 H ASN A 84 -9.292 6.145 -2.695 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.999 4.374 -1.317 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.180 3.513 -1.277 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.472 5.215 -1.579 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.561 4.223 -5.320 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.290 4.940 -4.324 1.00 0.00 H new ATOM 1188 N GLN A 85 -9.154 3.970 -4.141 1.00 0.00 N ATOM 1189 CA GLN A 85 -8.630 3.129 -5.204 1.00 0.00 C ATOM 1190 C GLN A 85 -7.223 2.641 -4.850 1.00 0.00 C ATOM 1191 O GLN A 85 -6.387 3.422 -4.395 1.00 0.00 O ATOM 1192 CB GLN A 85 -8.631 3.872 -6.542 1.00 0.00 C ATOM 1193 CG GLN A 85 -10.059 4.199 -6.985 1.00 0.00 C ATOM 1194 CD GLN A 85 -10.056 5.125 -8.204 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -9.958 4.696 -9.341 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -10.167 6.416 -7.902 1.00 0.00 N ATOM 0 H GLN A 85 -8.744 4.903 -4.094 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.280 2.260 -5.307 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.054 4.793 -6.452 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.141 3.262 -7.301 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.589 3.277 -7.225 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.599 4.673 -6.165 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.245 6.707 -6.928 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.174 7.115 -8.645 1.00 0.00 H new ATOM 1205 N LEU A 86 -7.005 1.353 -5.071 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.715 0.752 -4.780 1.00 0.00 C ATOM 1207 C LEU A 86 -4.802 0.899 -6.000 1.00 0.00 C ATOM 1208 O LEU A 86 -5.200 0.581 -7.119 1.00 0.00 O ATOM 1209 CB LEU A 86 -5.890 -0.695 -4.315 1.00 0.00 C ATOM 1210 CG LEU A 86 -5.367 -1.773 -5.266 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -4.090 -2.414 -4.720 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -6.448 -2.814 -5.563 1.00 0.00 C ATOM 0 H LEU A 86 -7.700 0.709 -5.448 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.231 1.272 -3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.387 -0.811 -3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.951 -0.874 -4.143 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.109 -1.297 -6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.740 -3.177 -5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.321 -1.650 -4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.298 -2.873 -3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.050 -3.569 -6.241 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.760 -3.290 -4.633 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.306 -2.326 -6.026 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.596 1.383 -5.741 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.624 1.577 -6.804 1.00 0.00 C ATOM 1226 C ALA A 87 -2.060 0.219 -7.226 1.00 0.00 C ATOM 1227 O ALA A 87 -1.772 0.001 -8.402 1.00 0.00 O ATOM 1228 CB ALA A 87 -1.534 2.539 -6.329 1.00 0.00 C ATOM 0 H ALA A 87 -3.270 1.646 -4.811 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.095 2.025 -7.679 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.805 2.685 -7.126 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.983 3.497 -6.068 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.036 2.121 -5.454 1.00 0.00 H new ATOM 1234 N GLY A 88 -1.918 -0.659 -6.244 1.00 0.00 N ATOM 1235 CA GLY A 88 -1.392 -1.989 -6.499 1.00 0.00 C ATOM 1236 C GLY A 88 -0.847 -2.619 -5.215 1.00 0.00 C ATOM 1237 O GLY A 88 -1.448 -2.487 -4.150 1.00 0.00 O ATOM 0 H GLY A 88 -2.158 -0.475 -5.270 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.177 -2.621 -6.914 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.600 -1.934 -7.246 1.00 0.00 H new ATOM 1241 N VAL A 89 0.286 -3.290 -5.359 1.00 0.00 N ATOM 1242 CA VAL A 89 0.919 -3.941 -4.224 1.00 0.00 C ATOM 1243 C VAL A 89 2.438 -3.917 -4.411 1.00 0.00 C ATOM 1244 O VAL A 89 2.993 -4.752 -5.123 1.00 0.00 O ATOM 1245 CB VAL A 89 0.361 -5.355 -4.054 1.00 0.00 C ATOM 1246 CG1 VAL A 89 1.238 -6.181 -3.111 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.087 -5.316 -3.561 1.00 0.00 C ATOM 0 H VAL A 89 0.782 -3.397 -6.244 1.00 0.00 H new ATOM 0 HA VAL A 89 0.695 -3.404 -3.302 1.00 0.00 H new ATOM 0 HB VAL A 89 0.371 -5.839 -5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.819 -7.182 -3.008 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.246 -6.250 -3.519 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.274 -5.700 -2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.460 -6.334 -3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.130 -4.805 -2.599 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.703 -4.781 -4.284 1.00 0.00 H new ATOM 1257 N ILE A 90 3.067 -2.951 -3.758 1.00 0.00 N ATOM 1258 CA ILE A 90 4.510 -2.807 -3.842 1.00 0.00 C ATOM 1259 C ILE A 90 5.172 -3.739 -2.825 1.00 0.00 C ATOM 1260 O ILE A 90 4.520 -4.212 -1.895 1.00 0.00 O ATOM 1261 CB ILE A 90 4.913 -1.339 -3.684 1.00 0.00 C ATOM 1262 CG1 ILE A 90 4.627 -0.842 -2.266 1.00 0.00 C ATOM 1263 CG2 ILE A 90 4.237 -0.468 -4.745 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.269 0.646 -2.268 1.00 0.00 C ATOM 0 H ILE A 90 2.603 -2.260 -3.168 1.00 0.00 H new ATOM 0 HA ILE A 90 4.865 -3.107 -4.828 1.00 0.00 H new ATOM 0 HB ILE A 90 5.989 -1.261 -3.841 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.807 -1.416 -1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.500 -1.009 -1.635 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.540 0.570 -4.610 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.534 -0.807 -5.737 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.154 -0.546 -4.644 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.070 0.974 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.100 1.220 -2.678 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.381 0.806 -2.880 1.00 0.00 H new ATOM 1276 N THR A 91 6.458 -3.976 -3.037 1.00 0.00 N ATOM 1277 CA THR A 91 7.215 -4.844 -2.149 1.00 0.00 C ATOM 1278 C THR A 91 8.717 -4.678 -2.394 1.00 0.00 C ATOM 1279 O THR A 91 9.126 -4.153 -3.429 1.00 0.00 O ATOM 1280 CB THR A 91 6.720 -6.277 -2.355 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.739 -7.083 -1.768 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.719 -6.690 -3.827 1.00 0.00 C ATOM 0 H THR A 91 6.995 -3.583 -3.810 1.00 0.00 H new ATOM 0 HA THR A 91 7.057 -4.577 -1.104 1.00 0.00 H new ATOM 0 HB THR A 91 5.713 -6.375 -1.951 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.327 -7.827 -1.281 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.359 -7.715 -3.917 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.065 -6.025 -4.391 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.732 -6.625 -4.224 1.00 0.00 H new ATOM 1290 N HIS A 92 9.495 -5.134 -1.425 1.00 0.00 N ATOM 1291 CA HIS A 92 10.942 -5.043 -1.523 1.00 0.00 C ATOM 1292 C HIS A 92 11.497 -6.330 -2.136 1.00 0.00 C ATOM 1293 O HIS A 92 12.693 -6.427 -2.406 1.00 0.00 O ATOM 1294 CB HIS A 92 11.559 -4.722 -0.160 1.00 0.00 C ATOM 1295 CG HIS A 92 11.252 -3.331 0.341 1.00 0.00 C ATOM 1296 ND1 HIS A 92 12.169 -2.566 1.040 1.00 0.00 N ATOM 1297 CD2 HIS A 92 10.120 -2.575 0.236 1.00 0.00 C ATOM 1298 CE1 HIS A 92 11.605 -1.406 1.338 1.00 0.00 C ATOM 1299 NE2 HIS A 92 10.335 -1.413 0.840 1.00 0.00 N ATOM 0 H HIS A 92 9.152 -5.568 -0.568 1.00 0.00 H new ATOM 0 HA HIS A 92 11.214 -4.220 -2.184 1.00 0.00 H new ATOM 0 HB2 HIS A 92 11.200 -5.447 0.570 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.640 -4.843 -0.224 1.00 0.00 H new ATOM 0 HD2 HIS A 92 9.205 -2.872 -0.255 1.00 0.00 H new ATOM 0 HE1 HIS A 92 12.069 -0.596 1.881 1.00 0.00 H new ATOM 0 HE2 HIS A 92 9.662 -0.651 0.919 1.00 0.00 H new ATOM 1308 N THR A 93 10.602 -7.286 -2.338 1.00 0.00 N ATOM 1309 CA THR A 93 10.988 -8.562 -2.915 1.00 0.00 C ATOM 1310 C THR A 93 11.523 -8.366 -4.335 1.00 0.00 C ATOM 1311 O THR A 93 12.239 -9.219 -4.856 1.00 0.00 O ATOM 1312 CB THR A 93 9.778 -9.497 -2.845 1.00 0.00 C ATOM 1313 OG1 THR A 93 9.990 -10.250 -1.655 1.00 0.00 O ATOM 1314 CG2 THR A 93 9.786 -10.548 -3.958 1.00 0.00 C ATOM 0 H THR A 93 9.611 -7.202 -2.112 1.00 0.00 H new ATOM 0 HA THR A 93 11.804 -9.019 -2.355 1.00 0.00 H new ATOM 0 HB THR A 93 8.861 -8.910 -2.906 1.00 0.00 H new ATOM 0 HG1 THR A 93 9.250 -10.881 -1.531 1.00 0.00 H new ATOM 0 HG21 THR A 93 8.907 -11.185 -3.863 1.00 0.00 H new ATOM 0 HG22 THR A 93 9.771 -10.051 -4.928 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.686 -11.157 -3.877 1.00 0.00 H new ATOM 1322 N GLY A 94 11.154 -7.236 -4.922 1.00 0.00 N ATOM 1323 CA GLY A 94 11.588 -6.917 -6.271 1.00 0.00 C ATOM 1324 C GLY A 94 12.125 -5.487 -6.350 1.00 0.00 C ATOM 1325 O GLY A 94 11.899 -4.789 -7.338 1.00 0.00 O ATOM 0 H GLY A 94 10.559 -6.530 -4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 94 12.362 -7.618 -6.583 1.00 0.00 H new ATOM 0 HA3 GLY A 94 10.754 -7.035 -6.963 1.00 0.00 H new ATOM 1329 N ALA A 95 12.826 -5.092 -5.298 1.00 0.00 N ATOM 1330 CA ALA A 95 13.396 -3.757 -5.236 1.00 0.00 C ATOM 1331 C ALA A 95 14.888 -3.860 -4.912 1.00 0.00 C ATOM 1332 O ALA A 95 15.710 -3.191 -5.537 1.00 0.00 O ATOM 1333 CB ALA A 95 12.632 -2.922 -4.207 1.00 0.00 C ATOM 0 H ALA A 95 13.012 -5.673 -4.481 1.00 0.00 H new ATOM 0 HA ALA A 95 13.301 -3.254 -6.198 1.00 0.00 H new ATOM 0 HB1 ALA A 95 13.060 -1.921 -4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.584 -2.856 -4.498 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.707 -3.394 -3.227 1.00 0.00 H new ATOM 1339 N SER A 96 15.193 -4.703 -3.936 1.00 0.00 N ATOM 1340 CA SER A 96 16.571 -4.901 -3.522 1.00 0.00 C ATOM 1341 C SER A 96 17.052 -3.698 -2.707 1.00 0.00 C ATOM 1342 O SER A 96 18.069 -3.088 -3.034 1.00 0.00 O ATOM 1343 CB SER A 96 17.483 -5.122 -4.730 1.00 0.00 C ATOM 1344 OG SER A 96 18.739 -5.680 -4.356 1.00 0.00 O ATOM 0 H SER A 96 14.509 -5.257 -3.420 1.00 0.00 H new ATOM 0 HA SER A 96 16.615 -5.794 -2.899 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.989 -5.785 -5.441 1.00 0.00 H new ATOM 0 HB3 SER A 96 17.646 -4.172 -5.240 1.00 0.00 H new ATOM 0 HG SER A 96 19.185 -5.083 -3.719 1.00 0.00 H new ATOM 1350 N GLY A 97 16.297 -3.392 -1.662 1.00 0.00 N ATOM 1351 CA GLY A 97 16.633 -2.273 -0.798 1.00 0.00 C ATOM 1352 C GLY A 97 15.371 -1.631 -0.217 1.00 0.00 C ATOM 1353 O GLY A 97 14.469 -2.331 0.241 1.00 0.00 O ATOM 0 H GLY A 97 15.454 -3.900 -1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.277 -2.615 0.012 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.197 -1.530 -1.362 1.00 0.00 H new ATOM 1357 N ASN A 98 15.350 -0.307 -0.254 1.00 0.00 N ATOM 1358 CA ASN A 98 14.214 0.437 0.264 1.00 0.00 C ATOM 1359 C ASN A 98 13.227 0.710 -0.874 1.00 0.00 C ATOM 1360 O ASN A 98 12.101 1.143 -0.633 1.00 0.00 O ATOM 1361 CB ASN A 98 14.654 1.783 0.841 1.00 0.00 C ATOM 1362 CG ASN A 98 13.632 2.307 1.852 1.00 0.00 C ATOM 1363 OD1 ASN A 98 13.924 3.139 2.696 1.00 0.00 O ATOM 1364 ND2 ASN A 98 12.419 1.776 1.721 1.00 0.00 N ATOM 0 H ASN A 98 16.101 0.270 -0.634 1.00 0.00 H new ATOM 0 HA ASN A 98 13.751 -0.159 1.051 1.00 0.00 H new ATOM 0 HB2 ASN A 98 15.626 1.676 1.323 1.00 0.00 H new ATOM 0 HB3 ASN A 98 14.776 2.506 0.034 1.00 0.00 H new ATOM 0 HD21 ASN A 98 11.667 2.061 2.348 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.241 1.084 0.993 1.00 0.00 H new ATOM 1371 N ASN A 99 13.685 0.446 -2.088 1.00 0.00 N ATOM 1372 CA ASN A 99 12.858 0.658 -3.263 1.00 0.00 C ATOM 1373 C ASN A 99 11.646 -0.273 -3.202 1.00 0.00 C ATOM 1374 O ASN A 99 11.659 -1.270 -2.481 1.00 0.00 O ATOM 1375 CB ASN A 99 13.631 0.343 -4.546 1.00 0.00 C ATOM 1376 CG ASN A 99 14.826 -0.567 -4.256 1.00 0.00 C ATOM 1377 OD1 ASN A 99 15.873 -0.475 -4.875 1.00 0.00 O ATOM 1378 ND2 ASN A 99 14.613 -1.448 -3.283 1.00 0.00 N ATOM 0 H ASN A 99 14.619 0.087 -2.284 1.00 0.00 H new ATOM 0 HA ASN A 99 12.551 1.704 -3.275 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.968 -0.139 -5.265 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.978 1.270 -5.003 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.350 -2.100 -3.015 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.712 -1.472 -2.805 1.00 0.00 H new ATOM 1385 N PHE A 100 10.626 0.084 -3.968 1.00 0.00 N ATOM 1386 CA PHE A 100 9.407 -0.707 -4.010 1.00 0.00 C ATOM 1387 C PHE A 100 9.107 -1.176 -5.435 1.00 0.00 C ATOM 1388 O PHE A 100 9.685 -0.669 -6.395 1.00 0.00 O ATOM 1389 CB PHE A 100 8.269 0.199 -3.534 1.00 0.00 C ATOM 1390 CG PHE A 100 8.113 0.254 -2.013 1.00 0.00 C ATOM 1391 CD1 PHE A 100 7.788 -0.871 -1.321 1.00 0.00 C ATOM 1392 CD2 PHE A 100 8.299 1.429 -1.353 1.00 0.00 C ATOM 1393 CE1 PHE A 100 7.643 -0.819 0.091 1.00 0.00 C ATOM 1394 CE2 PHE A 100 8.154 1.480 0.059 1.00 0.00 C ATOM 1395 CZ PHE A 100 7.829 0.355 0.750 1.00 0.00 C ATOM 0 H PHE A 100 10.618 0.911 -4.565 1.00 0.00 H new ATOM 0 HA PHE A 100 9.515 -1.590 -3.380 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.441 1.208 -3.908 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.334 -0.149 -3.973 1.00 0.00 H new ATOM 0 HD1 PHE A 100 7.640 -1.804 -1.845 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.557 2.322 -1.902 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.385 -1.712 0.641 1.00 0.00 H new ATOM 0 HE2 PHE A 100 8.302 2.412 0.584 1.00 0.00 H new ATOM 0 HZ PHE A 100 7.719 0.394 1.824 1.00 0.00 H new ATOM 1405 N VAL A 101 8.204 -2.141 -5.528 1.00 0.00 N ATOM 1406 CA VAL A 101 7.820 -2.686 -6.819 1.00 0.00 C ATOM 1407 C VAL A 101 6.512 -3.465 -6.671 1.00 0.00 C ATOM 1408 O VAL A 101 6.354 -4.249 -5.736 1.00 0.00 O ATOM 1409 CB VAL A 101 8.960 -3.533 -7.390 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.185 -2.669 -7.695 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.319 -4.678 -6.442 1.00 0.00 C ATOM 0 H VAL A 101 7.727 -2.560 -4.730 1.00 0.00 H new ATOM 0 HA VAL A 101 7.640 -1.883 -7.534 1.00 0.00 H new ATOM 0 HB VAL A 101 8.616 -3.970 -8.328 1.00 0.00 H new ATOM 0 HG11 VAL A 101 10.980 -3.295 -8.099 1.00 0.00 H new ATOM 0 HG12 VAL A 101 9.918 -1.904 -8.425 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.530 -2.191 -6.778 1.00 0.00 H new ATOM 0 HG21 VAL A 101 10.131 -5.264 -6.871 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.634 -4.270 -5.482 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.448 -5.317 -6.297 1.00 0.00 H new ATOM 1421 N GLU A 102 5.607 -3.222 -7.607 1.00 0.00 N ATOM 1422 CA GLU A 102 4.317 -3.892 -7.593 1.00 0.00 C ATOM 1423 C GLU A 102 4.506 -5.410 -7.615 1.00 0.00 C ATOM 1424 O GLU A 102 5.121 -5.948 -8.535 1.00 0.00 O ATOM 1425 CB GLU A 102 3.446 -3.431 -8.764 1.00 0.00 C ATOM 1426 CG GLU A 102 4.308 -2.909 -9.916 1.00 0.00 C ATOM 1427 CD GLU A 102 3.547 -2.973 -11.242 1.00 0.00 C ATOM 1428 OE1 GLU A 102 2.314 -2.779 -11.198 1.00 0.00 O ATOM 1429 OE2 GLU A 102 4.218 -3.214 -12.269 1.00 0.00 O ATOM 0 H GLU A 102 5.741 -2.571 -8.380 1.00 0.00 H new ATOM 0 HA GLU A 102 3.801 -3.623 -6.671 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.830 -4.260 -9.112 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.766 -2.647 -8.430 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.608 -1.881 -9.714 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.222 -3.499 -9.988 1.00 0.00 H new ATOM 1436 N CYS A 103 3.968 -6.057 -6.592 1.00 0.00 N ATOM 1437 CA CYS A 103 4.070 -7.501 -6.482 1.00 0.00 C ATOM 1438 C CYS A 103 3.534 -8.120 -7.775 1.00 0.00 C ATOM 1439 O CYS A 103 3.308 -7.416 -8.758 1.00 0.00 O ATOM 1440 CB CYS A 103 3.334 -8.029 -5.249 1.00 0.00 C ATOM 1441 SG CYS A 103 3.906 -7.331 -3.657 1.00 0.00 S ATOM 0 H CYS A 103 3.460 -5.607 -5.831 1.00 0.00 H new ATOM 0 HA CYS A 103 5.114 -7.785 -6.349 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.270 -7.819 -5.360 1.00 0.00 H new ATOM 0 HB3 CYS A 103 3.443 -9.113 -5.215 1.00 0.00 H new ATOM 0 HG CYS A 103 3.289 -7.922 -2.677 1.00 0.00 H new ATOM 1446 N THR A 104 3.347 -9.431 -7.732 1.00 0.00 N ATOM 1447 CA THR A 104 2.841 -10.153 -8.888 1.00 0.00 C ATOM 1448 C THR A 104 1.436 -10.689 -8.609 1.00 0.00 C ATOM 1449 O THR A 104 0.991 -11.639 -9.251 1.00 0.00 O ATOM 1450 CB THR A 104 3.850 -11.248 -9.239 1.00 0.00 C ATOM 1451 OG1 THR A 104 3.871 -12.085 -8.086 1.00 0.00 O ATOM 1452 CG2 THR A 104 5.281 -10.716 -9.339 1.00 0.00 C ATOM 0 H THR A 104 3.537 -10.012 -6.915 1.00 0.00 H new ATOM 0 HA THR A 104 2.738 -9.496 -9.751 1.00 0.00 H new ATOM 0 HB THR A 104 3.568 -11.711 -10.185 1.00 0.00 H new ATOM 0 HG1 THR A 104 4.238 -11.586 -7.326 1.00 0.00 H new ATOM 0 HG21 THR A 104 5.956 -11.534 -9.590 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.332 -9.952 -10.115 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.576 -10.283 -8.383 1.00 0.00 H new