USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 827 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 20 HIS : no HE2:sc= -12.8! C(o=-14!,f=-17!) USER MOD Set 1.2: A 83 TYR OH : rot -37:sc= -1.23 USER MOD Set 2.1: A 58 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Set 2.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 37 GLN : amide:sc= -5.38! C(o=-4.5!,f=-11!) USER MOD Set 3.2: A 46 LYS NZ :NH3+ 156:sc= 0.908 (180deg=0) USER MOD Set 4.1: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 10 SER OG : rot 180:sc= -0.0736 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 72:sc= 0.407 USER MOD Single : A 6 SER OG : rot 15:sc= 0.449! USER MOD Single : A 11 GLN : amide:sc= -0.669 X(o=-0.67,f=-0.53) USER MOD Single : A 14 TYR OH : rot 130:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -116:sc= 0.0724 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 142:sc= -5.98! (180deg=-6.75!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.0104 K(o=-0.01,f=-1.1) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.0518 K(o=-0.052,f=-0.88) USER MOD Single : A 48 SER OG : rot 180:sc= -0.064 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 55 GLN : amide:sc= -0.0176 X(o=-0.018,f=-0.42) USER MOD Single : A 60 ASN : amide:sc=-0.00826 K(o=-0.0083,f=-1.1) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -159:sc= 0.429 USER MOD Single : A 66 TYR OH : rot 180:sc= -1.69! USER MOD Single : A 67 THR OG1 : rot 21:sc= 0.419 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0.167 K(o=0.17,f=-0.99) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.967 23.761 16.699 1.00 0.00 N ATOM 2 CA GLY A 1 4.039 24.004 15.751 1.00 0.00 C ATOM 3 C GLY A 1 3.756 23.401 14.389 1.00 0.00 C ATOM 4 O GLY A 1 3.834 24.088 13.371 1.00 0.00 O ATOM 0 H1 GLY A 1 3.208 24.193 17.614 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.085 24.179 16.340 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.839 22.736 16.823 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.190 25.078 15.645 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.968 23.589 16.143 1.00 0.00 H new ATOM 8 N SER A 2 3.428 22.113 14.371 1.00 0.00 N ATOM 9 CA SER A 2 3.138 21.417 13.123 1.00 0.00 C ATOM 10 C SER A 2 4.264 21.618 12.114 1.00 0.00 C ATOM 11 O SER A 2 4.024 21.991 10.965 1.00 0.00 O ATOM 12 CB SER A 2 1.815 21.911 12.534 1.00 0.00 C ATOM 13 OG SER A 2 0.724 21.145 13.015 1.00 0.00 O ATOM 0 H SER A 2 3.357 21.531 15.206 1.00 0.00 H new ATOM 0 HA SER A 2 3.055 20.352 13.341 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.668 22.960 12.791 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.853 21.852 11.446 1.00 0.00 H new ATOM 0 HG SER A 2 -0.109 21.482 12.625 1.00 0.00 H new ATOM 19 N SER A 3 5.494 21.369 12.551 1.00 0.00 N ATOM 20 CA SER A 3 6.659 21.526 11.689 1.00 0.00 C ATOM 21 C SER A 3 6.941 20.241 10.916 1.00 0.00 C ATOM 22 O SER A 3 7.254 20.274 9.727 1.00 0.00 O ATOM 23 CB SER A 3 7.885 21.915 12.517 1.00 0.00 C ATOM 24 OG SER A 3 8.911 22.440 11.693 1.00 0.00 O ATOM 0 H SER A 3 5.710 21.057 13.498 1.00 0.00 H new ATOM 0 HA SER A 3 6.445 22.320 10.974 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.602 22.654 13.266 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.257 21.043 13.054 1.00 0.00 H new ATOM 0 HG SER A 3 9.683 22.682 12.246 1.00 0.00 H new ATOM 30 N GLY A 4 6.826 19.108 11.603 1.00 0.00 N ATOM 31 CA GLY A 4 7.072 17.827 10.966 1.00 0.00 C ATOM 32 C GLY A 4 8.454 17.741 10.350 1.00 0.00 C ATOM 33 O GLY A 4 8.610 17.880 9.137 1.00 0.00 O ATOM 0 H GLY A 4 6.567 19.054 12.588 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.955 17.031 11.701 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.322 17.659 10.193 1.00 0.00 H new ATOM 37 N SER A 5 9.461 17.514 11.187 1.00 0.00 N ATOM 38 CA SER A 5 10.838 17.415 10.718 1.00 0.00 C ATOM 39 C SER A 5 11.169 15.985 10.301 1.00 0.00 C ATOM 40 O SER A 5 12.240 15.467 10.618 1.00 0.00 O ATOM 41 CB SER A 5 11.805 17.877 11.810 1.00 0.00 C ATOM 42 OG SER A 5 11.892 16.921 12.852 1.00 0.00 O ATOM 0 H SER A 5 9.349 17.395 12.194 1.00 0.00 H new ATOM 0 HA SER A 5 10.947 18.063 9.848 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.793 18.041 11.380 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.471 18.832 12.215 1.00 0.00 H new ATOM 0 HG SER A 5 12.393 16.140 12.538 1.00 0.00 H new ATOM 48 N SER A 6 10.242 15.354 9.589 1.00 0.00 N ATOM 49 CA SER A 6 10.432 13.982 9.131 1.00 0.00 C ATOM 50 C SER A 6 9.610 13.710 7.875 1.00 0.00 C ATOM 51 O SER A 6 8.394 13.899 7.862 1.00 0.00 O ATOM 52 CB SER A 6 10.042 12.995 10.234 1.00 0.00 C ATOM 53 OG SER A 6 8.634 12.890 10.349 1.00 0.00 O ATOM 0 H SER A 6 9.352 15.770 9.316 1.00 0.00 H new ATOM 0 HA SER A 6 11.487 13.848 8.890 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.466 12.015 10.016 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.464 13.321 11.184 1.00 0.00 H new ATOM 0 HG SER A 6 8.211 13.285 9.558 1.00 0.00 H new ATOM 59 N GLY A 7 10.284 13.263 6.820 1.00 0.00 N ATOM 60 CA GLY A 7 9.601 12.971 5.573 1.00 0.00 C ATOM 61 C GLY A 7 10.079 11.680 4.938 1.00 0.00 C ATOM 62 O GLY A 7 10.496 11.665 3.779 1.00 0.00 O ATOM 0 H GLY A 7 11.290 13.098 6.806 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.528 12.907 5.756 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.756 13.794 4.876 1.00 0.00 H new ATOM 66 N THR A 8 10.021 10.592 5.699 1.00 0.00 N ATOM 67 CA THR A 8 10.454 9.290 5.206 1.00 0.00 C ATOM 68 C THR A 8 9.288 8.310 5.146 1.00 0.00 C ATOM 69 O THR A 8 8.224 8.561 5.713 1.00 0.00 O ATOM 70 CB THR A 8 11.565 8.695 6.091 1.00 0.00 C ATOM 71 OG1 THR A 8 11.143 8.673 7.459 1.00 0.00 O ATOM 72 CG2 THR A 8 12.849 9.503 5.964 1.00 0.00 C ATOM 0 H THR A 8 9.678 10.586 6.660 1.00 0.00 H new ATOM 0 HA THR A 8 10.846 9.447 4.201 1.00 0.00 H new ATOM 0 HB THR A 8 11.760 7.677 5.755 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.854 8.292 8.015 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.619 9.064 6.598 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.184 9.493 4.927 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.664 10.531 6.276 1.00 0.00 H new ATOM 80 N ILE A 9 9.496 7.193 4.457 1.00 0.00 N ATOM 81 CA ILE A 9 8.462 6.174 4.325 1.00 0.00 C ATOM 82 C ILE A 9 8.482 5.214 5.510 1.00 0.00 C ATOM 83 O ILE A 9 7.435 4.854 6.047 1.00 0.00 O ATOM 84 CB ILE A 9 8.628 5.368 3.023 1.00 0.00 C ATOM 85 CG1 ILE A 9 8.553 6.297 1.809 1.00 0.00 C ATOM 86 CG2 ILE A 9 7.566 4.283 2.932 1.00 0.00 C ATOM 87 CD1 ILE A 9 7.360 7.226 1.832 1.00 0.00 C ATOM 0 H ILE A 9 10.371 6.971 3.982 1.00 0.00 H new ATOM 0 HA ILE A 9 7.506 6.697 4.299 1.00 0.00 H new ATOM 0 HB ILE A 9 9.608 4.890 3.032 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.465 6.891 1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.516 5.694 0.902 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.697 3.722 2.006 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.662 3.608 3.782 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.577 4.740 2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.371 7.855 0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.442 6.639 1.850 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.406 7.855 2.721 1.00 0.00 H new ATOM 99 N SER A 10 9.680 4.805 5.913 1.00 0.00 N ATOM 100 CA SER A 10 9.837 3.885 7.033 1.00 0.00 C ATOM 101 C SER A 10 8.956 4.303 8.206 1.00 0.00 C ATOM 102 O SER A 10 8.102 3.539 8.657 1.00 0.00 O ATOM 103 CB SER A 10 11.301 3.830 7.474 1.00 0.00 C ATOM 104 OG SER A 10 11.807 5.130 7.726 1.00 0.00 O ATOM 0 H SER A 10 10.557 5.096 5.481 1.00 0.00 H new ATOM 0 HA SER A 10 9.527 2.893 6.703 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.390 3.221 8.373 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.899 3.347 6.701 1.00 0.00 H new ATOM 0 HG SER A 10 12.744 5.068 8.008 1.00 0.00 H new ATOM 110 N GLN A 11 9.170 5.520 8.695 1.00 0.00 N ATOM 111 CA GLN A 11 8.396 6.039 9.817 1.00 0.00 C ATOM 112 C GLN A 11 6.915 5.715 9.652 1.00 0.00 C ATOM 113 O GLN A 11 6.200 5.520 10.635 1.00 0.00 O ATOM 114 CB GLN A 11 8.589 7.552 9.939 1.00 0.00 C ATOM 115 CG GLN A 11 9.896 7.947 10.608 1.00 0.00 C ATOM 116 CD GLN A 11 10.217 7.088 11.815 1.00 0.00 C ATOM 117 OE1 GLN A 11 9.710 7.324 12.912 1.00 0.00 O ATOM 118 NE2 GLN A 11 11.062 6.083 11.619 1.00 0.00 N ATOM 0 H GLN A 11 9.872 6.165 8.332 1.00 0.00 H new ATOM 0 HA GLN A 11 8.755 5.559 10.728 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.551 7.996 8.944 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.759 7.971 10.507 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.708 7.869 9.885 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.842 8.992 10.914 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.459 5.924 10.693 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.314 5.470 12.394 1.00 0.00 H new ATOM 127 N ARG A 12 6.462 5.658 8.405 1.00 0.00 N ATOM 128 CA ARG A 12 5.065 5.359 8.112 1.00 0.00 C ATOM 129 C ARG A 12 4.760 3.885 8.365 1.00 0.00 C ATOM 130 O ARG A 12 5.620 3.016 8.226 1.00 0.00 O ATOM 131 CB ARG A 12 4.738 5.717 6.661 1.00 0.00 C ATOM 132 CG ARG A 12 5.162 7.123 6.270 1.00 0.00 C ATOM 133 CD ARG A 12 4.090 8.145 6.618 1.00 0.00 C ATOM 134 NE ARG A 12 4.656 9.468 6.865 1.00 0.00 N ATOM 135 CZ ARG A 12 5.278 9.804 7.990 1.00 0.00 C ATOM 136 NH1 ARG A 12 5.413 8.917 8.966 1.00 0.00 N ATOM 137 NH2 ARG A 12 5.766 11.029 8.140 1.00 0.00 N ATOM 0 H ARG A 12 7.042 5.815 7.580 1.00 0.00 H new ATOM 0 HA ARG A 12 4.444 5.960 8.776 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.228 5.002 6.000 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.664 5.613 6.503 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.090 7.380 6.780 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.366 7.158 5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.369 8.206 5.803 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.545 7.813 7.502 1.00 0.00 H new ATOM 0 HE ARG A 12 4.569 10.173 6.133 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.039 7.975 8.854 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.891 9.177 9.829 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.664 11.714 7.391 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.243 11.286 9.004 1.00 0.00 H new ATOM 151 N PRO A 13 3.507 3.597 8.746 1.00 0.00 N ATOM 152 CA PRO A 13 3.060 2.230 9.027 1.00 0.00 C ATOM 153 C PRO A 13 2.977 1.377 7.765 1.00 0.00 C ATOM 154 O PRO A 13 2.713 1.886 6.676 1.00 0.00 O ATOM 155 CB PRO A 13 1.667 2.428 9.630 1.00 0.00 C ATOM 156 CG PRO A 13 1.200 3.732 9.082 1.00 0.00 C ATOM 157 CD PRO A 13 2.430 4.584 8.932 1.00 0.00 C ATOM 0 HA PRO A 13 3.752 1.702 9.683 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.995 1.617 9.349 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.706 2.447 10.719 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.701 3.596 8.123 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.480 4.201 9.752 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.351 5.258 8.079 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.600 5.203 9.813 1.00 0.00 H new ATOM 165 N TYR A 14 3.203 0.077 7.920 1.00 0.00 N ATOM 166 CA TYR A 14 3.156 -0.847 6.792 1.00 0.00 C ATOM 167 C TYR A 14 1.848 -0.698 6.021 1.00 0.00 C ATOM 168 O TYR A 14 1.842 -0.294 4.858 1.00 0.00 O ATOM 169 CB TYR A 14 3.312 -2.288 7.280 1.00 0.00 C ATOM 170 CG TYR A 14 3.799 -3.239 6.210 1.00 0.00 C ATOM 171 CD1 TYR A 14 4.957 -2.972 5.490 1.00 0.00 C ATOM 172 CD2 TYR A 14 3.100 -4.404 5.918 1.00 0.00 C ATOM 173 CE1 TYR A 14 5.405 -3.838 4.511 1.00 0.00 C ATOM 174 CE2 TYR A 14 3.541 -5.276 4.942 1.00 0.00 C ATOM 175 CZ TYR A 14 4.694 -4.989 4.241 1.00 0.00 C ATOM 176 OH TYR A 14 5.136 -5.855 3.267 1.00 0.00 O ATOM 0 H TYR A 14 3.420 -0.361 8.815 1.00 0.00 H new ATOM 0 HA TYR A 14 3.981 -0.606 6.122 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.011 -2.306 8.116 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.353 -2.641 7.659 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.516 -2.072 5.699 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.196 -4.631 6.464 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.307 -3.615 3.960 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.986 -6.178 4.729 1.00 0.00 H new ATOM 0 HH TYR A 14 5.161 -6.766 3.626 1.00 0.00 H new ATOM 186 N ARG A 15 0.740 -1.027 6.678 1.00 0.00 N ATOM 187 CA ARG A 15 -0.574 -0.931 6.056 1.00 0.00 C ATOM 188 C ARG A 15 -0.632 0.246 5.086 1.00 0.00 C ATOM 189 O ARG A 15 -1.089 0.106 3.951 1.00 0.00 O ATOM 190 CB ARG A 15 -1.658 -0.779 7.124 1.00 0.00 C ATOM 191 CG ARG A 15 -2.895 -0.042 6.637 1.00 0.00 C ATOM 192 CD ARG A 15 -4.138 -0.472 7.401 1.00 0.00 C ATOM 193 NE ARG A 15 -4.210 0.147 8.721 1.00 0.00 N ATOM 194 CZ ARG A 15 -5.252 0.021 9.535 1.00 0.00 C ATOM 195 NH1 ARG A 15 -6.303 -0.698 9.167 1.00 0.00 N ATOM 196 NH2 ARG A 15 -5.244 0.616 10.722 1.00 0.00 N ATOM 0 H ARG A 15 0.727 -1.362 7.641 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.751 -1.850 5.497 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.950 -1.768 7.476 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.241 -0.246 7.979 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.749 1.032 6.753 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.037 -0.231 5.573 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.026 -0.207 6.827 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.140 -1.557 7.509 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.417 0.707 9.035 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.313 -1.157 8.256 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.101 -0.793 9.795 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.437 1.170 11.009 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.045 0.519 11.347 1.00 0.00 H new ATOM 210 N ASP A 16 -0.167 1.404 5.541 1.00 0.00 N ATOM 211 CA ASP A 16 -0.165 2.605 4.714 1.00 0.00 C ATOM 212 C ASP A 16 0.617 2.375 3.424 1.00 0.00 C ATOM 213 O ASP A 16 0.079 2.519 2.326 1.00 0.00 O ATOM 214 CB ASP A 16 0.435 3.781 5.486 1.00 0.00 C ATOM 215 CG ASP A 16 -0.590 4.488 6.350 1.00 0.00 C ATOM 216 OD1 ASP A 16 -1.510 3.811 6.856 1.00 0.00 O ATOM 217 OD2 ASP A 16 -0.472 5.719 6.522 1.00 0.00 O ATOM 0 H ASP A 16 0.213 1.537 6.478 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.197 2.840 4.455 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.250 3.422 6.114 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.865 4.493 4.782 1.00 0.00 H new ATOM 222 N ARG A 17 1.890 2.019 3.565 1.00 0.00 N ATOM 223 CA ARG A 17 2.746 1.772 2.412 1.00 0.00 C ATOM 224 C ARG A 17 2.105 0.762 1.465 1.00 0.00 C ATOM 225 O ARG A 17 2.338 0.793 0.256 1.00 0.00 O ATOM 226 CB ARG A 17 4.116 1.264 2.866 1.00 0.00 C ATOM 227 CG ARG A 17 4.814 2.190 3.849 1.00 0.00 C ATOM 228 CD ARG A 17 5.753 1.422 4.766 1.00 0.00 C ATOM 229 NE ARG A 17 7.026 1.120 4.117 1.00 0.00 N ATOM 230 CZ ARG A 17 8.110 0.723 4.774 1.00 0.00 C ATOM 231 NH1 ARG A 17 8.076 0.582 6.091 1.00 0.00 N ATOM 232 NH2 ARG A 17 9.231 0.467 4.112 1.00 0.00 N ATOM 0 H ARG A 17 2.351 1.895 4.467 1.00 0.00 H new ATOM 0 HA ARG A 17 2.874 2.714 1.878 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.996 0.283 3.326 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.753 1.130 1.991 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.376 2.947 3.302 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.070 2.716 4.447 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.936 2.005 5.669 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.276 0.493 5.078 1.00 0.00 H new ATOM 0 HE ARG A 17 7.086 1.219 3.104 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.216 0.778 6.603 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.910 0.277 6.593 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.261 0.575 3.098 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.063 0.162 4.617 1.00 0.00 H new ATOM 246 N VAL A 18 1.297 -0.134 2.022 1.00 0.00 N ATOM 247 CA VAL A 18 0.622 -1.153 1.228 1.00 0.00 C ATOM 248 C VAL A 18 -0.562 -0.564 0.469 1.00 0.00 C ATOM 249 O VAL A 18 -0.610 -0.611 -0.760 1.00 0.00 O ATOM 250 CB VAL A 18 0.126 -2.314 2.110 1.00 0.00 C ATOM 251 CG1 VAL A 18 -0.747 -3.263 1.302 1.00 0.00 C ATOM 252 CG2 VAL A 18 1.303 -3.054 2.727 1.00 0.00 C ATOM 0 H VAL A 18 1.094 -0.175 3.021 1.00 0.00 H new ATOM 0 HA VAL A 18 1.353 -1.534 0.515 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.478 -1.902 2.918 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.088 -4.077 1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.609 -2.722 0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.170 -3.671 0.472 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.934 -3.871 3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.935 -3.456 1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.884 -2.366 3.341 1.00 0.00 H new ATOM 262 N ILE A 19 -1.515 -0.009 1.210 1.00 0.00 N ATOM 263 CA ILE A 19 -2.699 0.591 0.607 1.00 0.00 C ATOM 264 C ILE A 19 -2.315 1.666 -0.405 1.00 0.00 C ATOM 265 O ILE A 19 -2.906 1.759 -1.481 1.00 0.00 O ATOM 266 CB ILE A 19 -3.621 1.211 1.673 1.00 0.00 C ATOM 267 CG1 ILE A 19 -2.925 2.390 2.357 1.00 0.00 C ATOM 268 CG2 ILE A 19 -4.028 0.162 2.697 1.00 0.00 C ATOM 269 CD1 ILE A 19 -3.771 3.057 3.419 1.00 0.00 C ATOM 0 H ILE A 19 -1.491 0.038 2.229 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.234 -0.210 0.097 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.522 1.580 1.183 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.997 2.041 2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.654 3.129 1.603 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.680 0.616 3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.559 -0.648 2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.138 -0.234 3.185 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.215 3.883 3.861 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.688 3.437 2.968 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.021 2.332 4.194 1.00 0.00 H new ATOM 281 N HIS A 20 -1.321 2.475 -0.052 1.00 0.00 N ATOM 282 CA HIS A 20 -0.856 3.542 -0.931 1.00 0.00 C ATOM 283 C HIS A 20 -0.418 2.983 -2.281 1.00 0.00 C ATOM 284 O HIS A 20 -0.531 3.653 -3.309 1.00 0.00 O ATOM 285 CB HIS A 20 0.302 4.299 -0.280 1.00 0.00 C ATOM 286 CG HIS A 20 -0.141 5.363 0.677 1.00 0.00 C ATOM 287 ND1 HIS A 20 -0.133 5.195 2.046 1.00 0.00 N ATOM 288 CD2 HIS A 20 -0.606 6.615 0.456 1.00 0.00 C ATOM 289 CE1 HIS A 20 -0.574 6.297 2.625 1.00 0.00 C ATOM 290 NE2 HIS A 20 -0.868 7.175 1.682 1.00 0.00 N ATOM 0 H HIS A 20 -0.823 2.412 0.836 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.685 4.231 -1.095 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.938 3.589 0.248 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.912 4.755 -1.060 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.167 4.351 2.535 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.745 7.086 -0.506 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.677 6.454 3.689 1.00 0.00 H new ATOM 298 N LEU A 21 0.082 1.752 -2.272 1.00 0.00 N ATOM 299 CA LEU A 21 0.538 1.103 -3.496 1.00 0.00 C ATOM 300 C LEU A 21 -0.625 0.438 -4.225 1.00 0.00 C ATOM 301 O LEU A 21 -0.711 0.487 -5.453 1.00 0.00 O ATOM 302 CB LEU A 21 1.614 0.064 -3.175 1.00 0.00 C ATOM 303 CG LEU A 21 2.969 0.616 -2.729 1.00 0.00 C ATOM 304 CD1 LEU A 21 3.847 -0.500 -2.184 1.00 0.00 C ATOM 305 CD2 LEU A 21 3.661 1.326 -3.884 1.00 0.00 C ATOM 0 H LEU A 21 0.182 1.184 -1.431 1.00 0.00 H new ATOM 0 HA LEU A 21 0.962 1.867 -4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.235 -0.591 -2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.769 -0.554 -4.059 1.00 0.00 H new ATOM 0 HG LEU A 21 2.801 1.340 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.807 -0.088 -1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.356 -0.965 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.008 -1.248 -2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.624 1.713 -3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.817 0.623 -4.702 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.039 2.152 -4.229 1.00 0.00 H new ATOM 317 N LEU A 22 -1.519 -0.181 -3.462 1.00 0.00 N ATOM 318 CA LEU A 22 -2.680 -0.853 -4.035 1.00 0.00 C ATOM 319 C LEU A 22 -3.643 0.155 -4.654 1.00 0.00 C ATOM 320 O LEU A 22 -4.369 -0.163 -5.595 1.00 0.00 O ATOM 321 CB LEU A 22 -3.400 -1.673 -2.963 1.00 0.00 C ATOM 322 CG LEU A 22 -2.653 -2.901 -2.443 1.00 0.00 C ATOM 323 CD1 LEU A 22 -3.277 -3.397 -1.147 1.00 0.00 C ATOM 324 CD2 LEU A 22 -2.647 -4.006 -3.490 1.00 0.00 C ATOM 0 H LEU A 22 -1.462 -0.232 -2.445 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.330 -1.522 -4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.616 -1.019 -2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.358 -2.000 -3.367 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.621 -2.614 -2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.732 -4.272 -0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.228 -2.609 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.318 -3.666 -1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.111 -4.872 -3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.673 -4.290 -3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.153 -3.648 -4.394 1.00 0.00 H new ATOM 336 N ALA A 23 -3.642 1.371 -4.119 1.00 0.00 N ATOM 337 CA ALA A 23 -4.512 2.427 -4.621 1.00 0.00 C ATOM 338 C ALA A 23 -4.353 2.600 -6.128 1.00 0.00 C ATOM 339 O ALA A 23 -5.243 2.243 -6.901 1.00 0.00 O ATOM 340 CB ALA A 23 -4.220 3.737 -3.904 1.00 0.00 C ATOM 0 H ALA A 23 -3.048 1.649 -3.338 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.544 2.138 -4.422 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.877 4.517 -4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.392 3.613 -2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.181 4.021 -4.074 1.00 0.00 H new ATOM 346 N LEU A 24 -3.216 3.150 -6.539 1.00 0.00 N ATOM 347 CA LEU A 24 -2.941 3.370 -7.954 1.00 0.00 C ATOM 348 C LEU A 24 -3.479 2.220 -8.800 1.00 0.00 C ATOM 349 O LEU A 24 -4.098 2.437 -9.842 1.00 0.00 O ATOM 350 CB LEU A 24 -1.437 3.526 -8.183 1.00 0.00 C ATOM 351 CG LEU A 24 -0.773 4.721 -7.497 1.00 0.00 C ATOM 352 CD1 LEU A 24 0.735 4.677 -7.690 1.00 0.00 C ATOM 353 CD2 LEU A 24 -1.344 6.026 -8.031 1.00 0.00 C ATOM 0 H LEU A 24 -2.470 3.452 -5.912 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.446 4.287 -8.258 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.942 2.616 -7.843 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.259 3.604 -9.256 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.983 4.666 -6.429 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.190 5.535 -7.195 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.130 3.757 -7.259 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.967 4.707 -8.755 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.860 6.866 -7.532 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.165 6.089 -9.104 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.417 6.059 -7.840 1.00 0.00 H new ATOM 365 N LYS A 25 -3.242 0.995 -8.343 1.00 0.00 N ATOM 366 CA LYS A 25 -3.705 -0.190 -9.054 1.00 0.00 C ATOM 367 C LYS A 25 -3.563 -1.436 -8.185 1.00 0.00 C ATOM 368 O LYS A 25 -2.910 -1.406 -7.142 1.00 0.00 O ATOM 369 CB LYS A 25 -2.919 -0.370 -10.354 1.00 0.00 C ATOM 370 CG LYS A 25 -1.531 -0.952 -10.150 1.00 0.00 C ATOM 371 CD LYS A 25 -0.902 -1.369 -11.469 1.00 0.00 C ATOM 372 CE LYS A 25 0.134 -2.465 -11.271 1.00 0.00 C ATOM 373 NZ LYS A 25 0.826 -2.812 -12.543 1.00 0.00 N ATOM 0 H LYS A 25 -2.731 0.797 -7.482 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.760 -0.052 -9.291 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.482 -1.021 -11.022 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.829 0.596 -10.851 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.895 -0.215 -9.659 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.591 -1.814 -9.486 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.679 -1.720 -12.149 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.433 -0.504 -11.939 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.869 -2.141 -10.535 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.351 -3.354 -10.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.524 -3.562 -12.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.128 -3.146 -13.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.310 -1.970 -12.916 1.00 0.00 H new ATOM 387 N ALA A 26 -4.177 -2.530 -8.622 1.00 0.00 N ATOM 388 CA ALA A 26 -4.115 -3.787 -7.886 1.00 0.00 C ATOM 389 C ALA A 26 -2.721 -4.400 -7.962 1.00 0.00 C ATOM 390 O ALA A 26 -2.089 -4.400 -9.019 1.00 0.00 O ATOM 391 CB ALA A 26 -5.152 -4.763 -8.421 1.00 0.00 C ATOM 0 H ALA A 26 -4.723 -2.572 -9.482 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.335 -3.577 -6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.095 -5.697 -7.862 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.148 -4.334 -8.309 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.958 -4.958 -9.476 1.00 0.00 H new ATOM 397 N TYR A 27 -2.246 -4.920 -6.836 1.00 0.00 N ATOM 398 CA TYR A 27 -0.925 -5.534 -6.775 1.00 0.00 C ATOM 399 C TYR A 27 -1.007 -6.949 -6.212 1.00 0.00 C ATOM 400 O TYR A 27 -1.910 -7.273 -5.441 1.00 0.00 O ATOM 401 CB TYR A 27 0.015 -4.685 -5.916 1.00 0.00 C ATOM 402 CG TYR A 27 0.762 -3.629 -6.698 1.00 0.00 C ATOM 403 CD1 TYR A 27 0.147 -2.435 -7.055 1.00 0.00 C ATOM 404 CD2 TYR A 27 2.084 -3.825 -7.080 1.00 0.00 C ATOM 405 CE1 TYR A 27 0.826 -1.468 -7.770 1.00 0.00 C ATOM 406 CE2 TYR A 27 2.771 -2.863 -7.794 1.00 0.00 C ATOM 407 CZ TYR A 27 2.138 -1.686 -8.137 1.00 0.00 C ATOM 408 OH TYR A 27 2.818 -0.725 -8.849 1.00 0.00 O ATOM 0 H TYR A 27 -2.756 -4.929 -5.953 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.530 -5.589 -7.790 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.563 -4.201 -5.129 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.736 -5.339 -5.425 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.880 -2.260 -6.768 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.582 -4.745 -6.814 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.333 -0.546 -8.040 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.798 -3.031 -8.082 1.00 0.00 H new ATOM 0 HH TYR A 27 3.731 -1.034 -9.027 1.00 0.00 H new ATOM 418 N LYS A 28 -0.055 -7.790 -6.604 1.00 0.00 N ATOM 419 CA LYS A 28 -0.016 -9.172 -6.139 1.00 0.00 C ATOM 420 C LYS A 28 0.863 -9.304 -4.900 1.00 0.00 C ATOM 421 O LYS A 28 1.840 -8.572 -4.738 1.00 0.00 O ATOM 422 CB LYS A 28 0.504 -10.090 -7.247 1.00 0.00 C ATOM 423 CG LYS A 28 -0.338 -10.055 -8.511 1.00 0.00 C ATOM 424 CD LYS A 28 0.151 -8.991 -9.478 1.00 0.00 C ATOM 425 CE LYS A 28 -0.760 -8.879 -10.691 1.00 0.00 C ATOM 426 NZ LYS A 28 -0.160 -8.031 -11.759 1.00 0.00 N ATOM 0 H LYS A 28 0.700 -7.539 -7.242 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.031 -9.470 -5.876 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.527 -9.805 -7.494 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.540 -11.113 -6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.308 -11.030 -8.996 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.378 -9.861 -8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.199 -8.029 -8.968 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.163 -9.231 -9.803 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.961 -9.874 -11.087 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.718 -8.457 -10.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.748 -7.185 -11.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.799 -7.743 -11.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.111 -8.572 -12.646 1.00 0.00 H new ATOM 440 N LYS A 29 0.513 -10.244 -4.029 1.00 0.00 N ATOM 441 CA LYS A 29 1.271 -10.475 -2.805 1.00 0.00 C ATOM 442 C LYS A 29 2.764 -10.268 -3.043 1.00 0.00 C ATOM 443 O LYS A 29 3.423 -9.486 -2.358 1.00 0.00 O ATOM 444 CB LYS A 29 1.019 -11.892 -2.284 1.00 0.00 C ATOM 445 CG LYS A 29 2.088 -12.387 -1.325 1.00 0.00 C ATOM 446 CD LYS A 29 1.731 -12.074 0.118 1.00 0.00 C ATOM 447 CE LYS A 29 2.262 -10.713 0.541 1.00 0.00 C ATOM 448 NZ LYS A 29 3.702 -10.772 0.917 1.00 0.00 N ATOM 0 H LYS A 29 -0.292 -10.859 -4.148 1.00 0.00 H new ATOM 0 HA LYS A 29 0.936 -9.755 -2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.052 -11.919 -1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.958 -12.576 -3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.215 -13.463 -1.444 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.043 -11.924 -1.573 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.648 -12.097 0.239 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.141 -12.845 0.771 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.128 -10.002 -0.274 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.681 -10.343 1.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.183 -9.911 0.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.788 -10.841 1.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.142 -11.605 0.476 1.00 0.00 H new ATOM 462 N PRO A 30 3.310 -10.983 -4.037 1.00 0.00 N ATOM 463 CA PRO A 30 4.730 -10.893 -4.389 1.00 0.00 C ATOM 464 C PRO A 30 5.086 -9.553 -5.026 1.00 0.00 C ATOM 465 O PRO A 30 6.038 -8.893 -4.612 1.00 0.00 O ATOM 466 CB PRO A 30 4.919 -12.030 -5.396 1.00 0.00 C ATOM 467 CG PRO A 30 3.569 -12.239 -5.990 1.00 0.00 C ATOM 468 CD PRO A 30 2.584 -11.935 -4.895 1.00 0.00 C ATOM 0 HA PRO A 30 5.373 -10.971 -3.512 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.651 -11.765 -6.159 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.281 -12.935 -4.908 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.414 -11.584 -6.847 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.453 -13.263 -6.346 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.666 -11.500 -5.290 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.301 -12.834 -4.348 1.00 0.00 H new ATOM 476 N GLU A 31 4.314 -9.158 -6.033 1.00 0.00 N ATOM 477 CA GLU A 31 4.549 -7.897 -6.726 1.00 0.00 C ATOM 478 C GLU A 31 4.567 -6.731 -5.742 1.00 0.00 C ATOM 479 O GLU A 31 5.588 -6.063 -5.571 1.00 0.00 O ATOM 480 CB GLU A 31 3.473 -7.665 -7.789 1.00 0.00 C ATOM 481 CG GLU A 31 3.788 -6.517 -8.734 1.00 0.00 C ATOM 482 CD GLU A 31 2.776 -6.390 -9.855 1.00 0.00 C ATOM 483 OE1 GLU A 31 2.882 -7.149 -10.841 1.00 0.00 O ATOM 484 OE2 GLU A 31 1.876 -5.530 -9.746 1.00 0.00 O ATOM 0 H GLU A 31 3.521 -9.693 -6.387 1.00 0.00 H new ATOM 0 HA GLU A 31 5.523 -7.955 -7.212 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.346 -8.578 -8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.522 -7.467 -7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.818 -5.585 -8.170 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.780 -6.664 -9.160 1.00 0.00 H new ATOM 491 N LEU A 32 3.430 -6.491 -5.098 1.00 0.00 N ATOM 492 CA LEU A 32 3.313 -5.405 -4.131 1.00 0.00 C ATOM 493 C LEU A 32 4.597 -5.256 -3.322 1.00 0.00 C ATOM 494 O LEU A 32 5.086 -4.145 -3.111 1.00 0.00 O ATOM 495 CB LEU A 32 2.131 -5.657 -3.192 1.00 0.00 C ATOM 496 CG LEU A 32 1.435 -4.412 -2.641 1.00 0.00 C ATOM 497 CD1 LEU A 32 0.462 -4.791 -1.535 1.00 0.00 C ATOM 498 CD2 LEU A 32 2.460 -3.409 -2.132 1.00 0.00 C ATOM 0 H LEU A 32 2.576 -7.034 -5.228 1.00 0.00 H new ATOM 0 HA LEU A 32 3.142 -4.479 -4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.392 -6.257 -3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.482 -6.255 -2.351 1.00 0.00 H new ATOM 0 HG LEU A 32 0.871 -3.946 -3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.024 -3.893 -1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.292 -5.472 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.004 -5.281 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.947 -2.529 -1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.051 -3.864 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.117 -3.114 -2.950 1.00 0.00 H new ATOM 510 N LEU A 33 5.141 -6.381 -2.872 1.00 0.00 N ATOM 511 CA LEU A 33 6.371 -6.377 -2.087 1.00 0.00 C ATOM 512 C LEU A 33 7.509 -5.723 -2.863 1.00 0.00 C ATOM 513 O LEU A 33 8.097 -4.740 -2.413 1.00 0.00 O ATOM 514 CB LEU A 33 6.757 -7.805 -1.700 1.00 0.00 C ATOM 515 CG LEU A 33 6.120 -8.349 -0.421 1.00 0.00 C ATOM 516 CD1 LEU A 33 6.182 -9.869 -0.398 1.00 0.00 C ATOM 517 CD2 LEU A 33 6.806 -7.767 0.806 1.00 0.00 C ATOM 0 H LEU A 33 4.750 -7.308 -3.037 1.00 0.00 H new ATOM 0 HA LEU A 33 6.193 -5.798 -1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.492 -8.468 -2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.841 -7.850 -1.590 1.00 0.00 H new ATOM 0 HG LEU A 33 5.072 -8.048 -0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.724 -10.238 0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.644 -10.268 -1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.222 -10.191 -0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.339 -8.165 1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.862 -8.037 0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.709 -6.681 0.797 1.00 0.00 H new ATOM 529 N ALA A 34 7.814 -6.274 -4.034 1.00 0.00 N ATOM 530 CA ALA A 34 8.879 -5.742 -4.875 1.00 0.00 C ATOM 531 C ALA A 34 8.944 -4.221 -4.781 1.00 0.00 C ATOM 532 O ALA A 34 10.015 -3.628 -4.907 1.00 0.00 O ATOM 533 CB ALA A 34 8.678 -6.176 -6.319 1.00 0.00 C ATOM 0 H ALA A 34 7.338 -7.089 -4.421 1.00 0.00 H new ATOM 0 HA ALA A 34 9.827 -6.143 -4.516 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.481 -5.771 -6.936 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.689 -7.264 -6.377 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.720 -5.804 -6.681 1.00 0.00 H new ATOM 539 N ARG A 35 7.792 -3.597 -4.560 1.00 0.00 N ATOM 540 CA ARG A 35 7.719 -2.145 -4.452 1.00 0.00 C ATOM 541 C ARG A 35 8.177 -1.678 -3.073 1.00 0.00 C ATOM 542 O ARG A 35 8.950 -0.727 -2.953 1.00 0.00 O ATOM 543 CB ARG A 35 6.291 -1.664 -4.716 1.00 0.00 C ATOM 544 CG ARG A 35 6.013 -1.355 -6.178 1.00 0.00 C ATOM 545 CD ARG A 35 6.670 -0.052 -6.607 1.00 0.00 C ATOM 546 NE ARG A 35 6.255 0.355 -7.947 1.00 0.00 N ATOM 547 CZ ARG A 35 6.617 -0.284 -9.054 1.00 0.00 C ATOM 548 NH1 ARG A 35 7.396 -1.354 -8.981 1.00 0.00 N ATOM 549 NH2 ARG A 35 6.199 0.147 -10.237 1.00 0.00 N ATOM 0 H ARG A 35 6.897 -4.074 -4.452 1.00 0.00 H new ATOM 0 HA ARG A 35 8.384 -1.716 -5.201 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.591 -2.427 -4.375 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.102 -0.770 -4.122 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.381 -2.171 -6.800 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.937 -1.291 -6.339 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.417 0.733 -5.895 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.754 -0.167 -6.582 1.00 0.00 H new ATOM 0 HE ARG A 35 5.655 1.175 -8.038 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.719 -1.689 -8.073 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.672 -1.843 -9.833 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.599 0.970 -10.297 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.478 -0.344 -11.086 1.00 0.00 H new ATOM 563 N LEU A 36 7.695 -2.354 -2.036 1.00 0.00 N ATOM 564 CA LEU A 36 8.055 -2.009 -0.665 1.00 0.00 C ATOM 565 C LEU A 36 9.473 -2.469 -0.341 1.00 0.00 C ATOM 566 O LEU A 36 10.303 -1.680 0.110 1.00 0.00 O ATOM 567 CB LEU A 36 7.066 -2.640 0.317 1.00 0.00 C ATOM 568 CG LEU A 36 5.598 -2.251 0.134 1.00 0.00 C ATOM 569 CD1 LEU A 36 4.685 -3.350 0.654 1.00 0.00 C ATOM 570 CD2 LEU A 36 5.304 -0.934 0.838 1.00 0.00 C ATOM 0 H LEU A 36 7.054 -3.144 -2.118 1.00 0.00 H new ATOM 0 HA LEU A 36 8.014 -0.924 -0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.147 -3.724 0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.369 -2.372 1.329 1.00 0.00 H new ATOM 0 HG LEU A 36 5.407 -2.122 -0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.645 -3.055 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.877 -4.272 0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.878 -3.512 1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.255 -0.672 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.513 -1.036 1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.933 -0.149 0.419 1.00 0.00 H new ATOM 582 N GLN A 37 9.742 -3.749 -0.577 1.00 0.00 N ATOM 583 CA GLN A 37 11.061 -4.313 -0.312 1.00 0.00 C ATOM 584 C GLN A 37 12.161 -3.382 -0.812 1.00 0.00 C ATOM 585 O GLN A 37 13.254 -3.335 -0.247 1.00 0.00 O ATOM 586 CB GLN A 37 11.195 -5.684 -0.976 1.00 0.00 C ATOM 587 CG GLN A 37 10.552 -6.810 -0.182 1.00 0.00 C ATOM 588 CD GLN A 37 11.546 -7.549 0.691 1.00 0.00 C ATOM 589 OE1 GLN A 37 11.702 -8.766 0.581 1.00 0.00 O ATOM 590 NE2 GLN A 37 12.226 -6.817 1.566 1.00 0.00 N ATOM 0 H GLN A 37 9.065 -4.415 -0.951 1.00 0.00 H new ATOM 0 HA GLN A 37 11.170 -4.428 0.766 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.742 -5.644 -1.967 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.252 -5.908 -1.118 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.758 -6.401 0.443 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.085 -7.514 -0.870 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.065 -5.811 1.624 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.909 -7.260 2.180 1.00 0.00 H new ATOM 599 N LYS A 38 11.866 -2.643 -1.876 1.00 0.00 N ATOM 600 CA LYS A 38 12.829 -1.713 -2.453 1.00 0.00 C ATOM 601 C LYS A 38 13.356 -0.749 -1.395 1.00 0.00 C ATOM 602 O LYS A 38 14.565 -0.634 -1.194 1.00 0.00 O ATOM 603 CB LYS A 38 12.187 -0.927 -3.599 1.00 0.00 C ATOM 604 CG LYS A 38 12.216 -1.659 -4.930 1.00 0.00 C ATOM 605 CD LYS A 38 11.138 -1.148 -5.871 1.00 0.00 C ATOM 606 CE LYS A 38 11.568 0.133 -6.569 1.00 0.00 C ATOM 607 NZ LYS A 38 10.944 0.267 -7.914 1.00 0.00 N ATOM 0 H LYS A 38 10.967 -2.670 -2.357 1.00 0.00 H new ATOM 0 HA LYS A 38 13.667 -2.292 -2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.152 -0.703 -3.340 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.702 0.027 -3.707 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.194 -1.534 -5.394 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.077 -2.727 -4.762 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.912 -1.911 -6.616 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.220 -0.968 -5.311 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.295 0.991 -5.955 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.653 0.145 -6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.262 1.152 -8.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.225 -0.538 -8.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.909 0.281 -7.817 1.00 0.00 H new ATOM 621 N ASP A 39 12.442 -0.061 -0.720 1.00 0.00 N ATOM 622 CA ASP A 39 12.815 0.890 0.320 1.00 0.00 C ATOM 623 C ASP A 39 13.174 0.168 1.615 1.00 0.00 C ATOM 624 O ASP A 39 13.921 0.689 2.441 1.00 0.00 O ATOM 625 CB ASP A 39 11.673 1.877 0.572 1.00 0.00 C ATOM 626 CG ASP A 39 11.721 3.069 -0.363 1.00 0.00 C ATOM 627 OD1 ASP A 39 11.246 2.942 -1.511 1.00 0.00 O ATOM 628 OD2 ASP A 39 12.232 4.129 0.054 1.00 0.00 O ATOM 0 H ASP A 39 11.437 -0.144 -0.875 1.00 0.00 H new ATOM 0 HA ASP A 39 13.692 1.440 -0.023 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.719 1.363 0.452 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.719 2.226 1.604 1.00 0.00 H new ATOM 633 N GLY A 40 12.635 -1.036 1.784 1.00 0.00 N ATOM 634 CA GLY A 40 12.909 -1.810 2.980 1.00 0.00 C ATOM 635 C GLY A 40 11.654 -2.409 3.584 1.00 0.00 C ATOM 636 O GLY A 40 10.744 -1.685 3.987 1.00 0.00 O ATOM 0 H GLY A 40 12.014 -1.489 1.114 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.610 -2.609 2.739 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.395 -1.172 3.718 1.00 0.00 H new ATOM 640 N VAL A 41 11.604 -3.736 3.645 1.00 0.00 N ATOM 641 CA VAL A 41 10.451 -4.433 4.203 1.00 0.00 C ATOM 642 C VAL A 41 10.877 -5.430 5.274 1.00 0.00 C ATOM 643 O VAL A 41 11.643 -6.355 5.007 1.00 0.00 O ATOM 644 CB VAL A 41 9.662 -5.177 3.109 1.00 0.00 C ATOM 645 CG1 VAL A 41 8.739 -6.214 3.730 1.00 0.00 C ATOM 646 CG2 VAL A 41 8.875 -4.192 2.257 1.00 0.00 C ATOM 0 H VAL A 41 12.349 -4.350 3.315 1.00 0.00 H new ATOM 0 HA VAL A 41 9.809 -3.675 4.652 1.00 0.00 H new ATOM 0 HB VAL A 41 10.370 -5.696 2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.189 -6.730 2.943 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.330 -6.936 4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.035 -5.720 4.400 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.324 -4.735 1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.175 -3.644 2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.562 -3.491 1.783 1.00 0.00 H new ATOM 656 N ASN A 42 10.375 -5.235 6.490 1.00 0.00 N ATOM 657 CA ASN A 42 10.704 -6.118 7.603 1.00 0.00 C ATOM 658 C ASN A 42 10.148 -7.519 7.369 1.00 0.00 C ATOM 659 O ASN A 42 9.162 -7.694 6.653 1.00 0.00 O ATOM 660 CB ASN A 42 10.151 -5.550 8.912 1.00 0.00 C ATOM 661 CG ASN A 42 11.140 -4.634 9.608 1.00 0.00 C ATOM 662 OD1 ASN A 42 12.145 -5.089 10.155 1.00 0.00 O ATOM 663 ND2 ASN A 42 10.858 -3.337 9.591 1.00 0.00 N ATOM 0 H ASN A 42 9.739 -4.474 6.729 1.00 0.00 H new ATOM 0 HA ASN A 42 11.790 -6.184 7.673 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.233 -5.000 8.707 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.889 -6.371 9.579 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.486 -2.673 10.043 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.013 -3.005 9.125 1.00 0.00 H new ATOM 670 N GLN A 43 10.786 -8.513 7.978 1.00 0.00 N ATOM 671 CA GLN A 43 10.355 -9.898 7.836 1.00 0.00 C ATOM 672 C GLN A 43 9.007 -10.121 8.512 1.00 0.00 C ATOM 673 O GLN A 43 8.104 -10.729 7.937 1.00 0.00 O ATOM 674 CB GLN A 43 11.400 -10.843 8.431 1.00 0.00 C ATOM 675 CG GLN A 43 11.442 -12.206 7.758 1.00 0.00 C ATOM 676 CD GLN A 43 12.731 -12.955 8.036 1.00 0.00 C ATOM 677 OE1 GLN A 43 13.542 -12.533 8.860 1.00 0.00 O ATOM 678 NE2 GLN A 43 12.926 -14.073 7.347 1.00 0.00 N ATOM 0 H GLN A 43 11.603 -8.385 8.575 1.00 0.00 H new ATOM 0 HA GLN A 43 10.247 -10.111 6.772 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.383 -10.379 8.354 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.193 -10.978 9.493 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.598 -12.803 8.103 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.325 -12.079 6.682 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.227 -14.386 6.674 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.775 -14.619 7.491 1.00 0.00 H new ATOM 687 N LYS A 44 8.877 -9.626 9.738 1.00 0.00 N ATOM 688 CA LYS A 44 7.638 -9.769 10.495 1.00 0.00 C ATOM 689 C LYS A 44 6.457 -9.194 9.719 1.00 0.00 C ATOM 690 O LYS A 44 5.308 -9.568 9.952 1.00 0.00 O ATOM 691 CB LYS A 44 7.761 -9.070 11.851 1.00 0.00 C ATOM 692 CG LYS A 44 8.178 -7.614 11.749 1.00 0.00 C ATOM 693 CD LYS A 44 8.395 -6.998 13.121 1.00 0.00 C ATOM 694 CE LYS A 44 7.074 -6.726 13.825 1.00 0.00 C ATOM 695 NZ LYS A 44 7.269 -5.995 15.107 1.00 0.00 N ATOM 0 H LYS A 44 9.615 -9.122 10.229 1.00 0.00 H new ATOM 0 HA LYS A 44 7.461 -10.832 10.657 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.804 -9.130 12.369 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.488 -9.605 12.462 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.096 -7.538 11.166 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.412 -7.052 11.214 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.002 -7.668 13.730 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.953 -6.067 13.019 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.427 -6.143 13.170 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.565 -7.670 14.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.346 -5.829 15.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.866 -6.562 15.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.732 -5.083 14.920 1.00 0.00 H new ATOM 709 N ASP A 45 6.749 -8.284 8.796 1.00 0.00 N ATOM 710 CA ASP A 45 5.711 -7.659 7.984 1.00 0.00 C ATOM 711 C ASP A 45 5.423 -8.489 6.737 1.00 0.00 C ATOM 712 O ASP A 45 4.281 -8.576 6.287 1.00 0.00 O ATOM 713 CB ASP A 45 6.130 -6.243 7.585 1.00 0.00 C ATOM 714 CG ASP A 45 6.131 -5.286 8.761 1.00 0.00 C ATOM 715 OD1 ASP A 45 6.877 -5.538 9.730 1.00 0.00 O ATOM 716 OD2 ASP A 45 5.387 -4.284 8.711 1.00 0.00 O ATOM 0 H ASP A 45 7.695 -7.963 8.591 1.00 0.00 H new ATOM 0 HA ASP A 45 4.800 -7.605 8.580 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.126 -6.273 7.144 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.452 -5.870 6.817 1.00 0.00 H new ATOM 721 N LYS A 46 6.467 -9.096 6.183 1.00 0.00 N ATOM 722 CA LYS A 46 6.328 -9.919 4.988 1.00 0.00 C ATOM 723 C LYS A 46 5.174 -10.905 5.138 1.00 0.00 C ATOM 724 O LYS A 46 4.481 -11.216 4.170 1.00 0.00 O ATOM 725 CB LYS A 46 7.628 -10.677 4.711 1.00 0.00 C ATOM 726 CG LYS A 46 8.596 -9.920 3.818 1.00 0.00 C ATOM 727 CD LYS A 46 9.990 -10.522 3.869 1.00 0.00 C ATOM 728 CE LYS A 46 10.842 -10.055 2.698 1.00 0.00 C ATOM 729 NZ LYS A 46 10.702 -10.952 1.518 1.00 0.00 N ATOM 0 H LYS A 46 7.419 -9.033 6.543 1.00 0.00 H new ATOM 0 HA LYS A 46 6.113 -9.260 4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.119 -10.898 5.659 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.389 -11.633 4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.231 -9.933 2.791 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.638 -8.876 4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.473 -10.244 4.806 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.918 -11.610 3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.553 -9.041 2.420 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.888 -10.016 3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.940 -10.427 0.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.346 -11.762 1.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.722 -11.295 1.457 1.00 0.00 H new ATOM 743 N ASN A 47 4.973 -11.393 6.358 1.00 0.00 N ATOM 744 CA ASN A 47 3.902 -12.344 6.634 1.00 0.00 C ATOM 745 C ASN A 47 2.596 -11.618 6.938 1.00 0.00 C ATOM 746 O ASN A 47 1.519 -12.065 6.545 1.00 0.00 O ATOM 747 CB ASN A 47 4.284 -13.245 7.810 1.00 0.00 C ATOM 748 CG ASN A 47 3.135 -14.128 8.258 1.00 0.00 C ATOM 749 OD1 ASN A 47 2.305 -14.543 7.449 1.00 0.00 O ATOM 750 ND2 ASN A 47 3.082 -14.418 9.553 1.00 0.00 N ATOM 0 H ASN A 47 5.537 -11.146 7.171 1.00 0.00 H new ATOM 0 HA ASN A 47 3.757 -12.959 5.746 1.00 0.00 H new ATOM 0 HB2 ASN A 47 5.130 -13.871 7.525 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.612 -12.627 8.646 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.331 -15.007 9.913 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.792 -14.052 10.187 1.00 0.00 H new ATOM 757 N SER A 48 2.699 -10.494 7.641 1.00 0.00 N ATOM 758 CA SER A 48 1.525 -9.707 8.001 1.00 0.00 C ATOM 759 C SER A 48 0.974 -8.966 6.786 1.00 0.00 C ATOM 760 O SER A 48 -0.096 -8.359 6.847 1.00 0.00 O ATOM 761 CB SER A 48 1.874 -8.709 9.106 1.00 0.00 C ATOM 762 OG SER A 48 2.314 -7.477 8.561 1.00 0.00 O ATOM 0 H SER A 48 3.583 -10.108 7.972 1.00 0.00 H new ATOM 0 HA SER A 48 0.758 -10.390 8.367 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.001 -8.540 9.737 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.653 -9.126 9.745 1.00 0.00 H new ATOM 0 HG SER A 48 2.529 -6.856 9.288 1.00 0.00 H new ATOM 768 N LEU A 49 1.713 -9.020 5.683 1.00 0.00 N ATOM 769 CA LEU A 49 1.300 -8.355 4.452 1.00 0.00 C ATOM 770 C LEU A 49 0.061 -9.021 3.863 1.00 0.00 C ATOM 771 O LEU A 49 -0.901 -8.349 3.495 1.00 0.00 O ATOM 772 CB LEU A 49 2.439 -8.376 3.431 1.00 0.00 C ATOM 773 CG LEU A 49 2.378 -7.311 2.336 1.00 0.00 C ATOM 774 CD1 LEU A 49 3.351 -7.642 1.215 1.00 0.00 C ATOM 775 CD2 LEU A 49 0.961 -7.184 1.794 1.00 0.00 C ATOM 0 H LEU A 49 2.601 -9.517 5.616 1.00 0.00 H new ATOM 0 HA LEU A 49 1.054 -7.320 4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.382 -8.265 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.456 -9.357 2.956 1.00 0.00 H new ATOM 0 HG LEU A 49 2.667 -6.354 2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.294 -6.873 0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.365 -7.682 1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.093 -8.609 0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.936 -6.421 1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.644 -8.140 1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.287 -6.900 2.602 1.00 0.00 H new ATOM 787 N GLY A 50 0.092 -10.347 3.778 1.00 0.00 N ATOM 788 CA GLY A 50 -1.035 -11.082 3.234 1.00 0.00 C ATOM 789 C GLY A 50 -2.325 -10.801 3.979 1.00 0.00 C ATOM 790 O GLY A 50 -3.402 -10.787 3.385 1.00 0.00 O ATOM 0 H GLY A 50 0.877 -10.926 4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.162 -10.821 2.183 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.821 -12.150 3.274 1.00 0.00 H new ATOM 794 N ALA A 51 -2.215 -10.578 5.285 1.00 0.00 N ATOM 795 CA ALA A 51 -3.382 -10.296 6.112 1.00 0.00 C ATOM 796 C ALA A 51 -3.930 -8.901 5.831 1.00 0.00 C ATOM 797 O ALA A 51 -5.142 -8.707 5.741 1.00 0.00 O ATOM 798 CB ALA A 51 -3.031 -10.440 7.586 1.00 0.00 C ATOM 0 H ALA A 51 -1.330 -10.587 5.792 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.158 -11.020 5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.911 -10.227 8.192 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.694 -11.458 7.782 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.236 -9.739 7.841 1.00 0.00 H new ATOM 804 N ILE A 52 -3.029 -7.934 5.693 1.00 0.00 N ATOM 805 CA ILE A 52 -3.424 -6.557 5.421 1.00 0.00 C ATOM 806 C ILE A 52 -4.098 -6.437 4.059 1.00 0.00 C ATOM 807 O ILE A 52 -5.160 -5.826 3.931 1.00 0.00 O ATOM 808 CB ILE A 52 -2.214 -5.605 5.468 1.00 0.00 C ATOM 809 CG1 ILE A 52 -1.543 -5.666 6.842 1.00 0.00 C ATOM 810 CG2 ILE A 52 -2.647 -4.183 5.147 1.00 0.00 C ATOM 811 CD1 ILE A 52 -0.135 -5.114 6.852 1.00 0.00 C ATOM 0 H ILE A 52 -2.022 -8.078 5.765 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.131 -6.272 6.200 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.491 -5.922 4.717 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.148 -5.109 7.558 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.521 -6.702 7.181 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.781 -3.522 5.184 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.084 -4.152 4.149 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.386 -3.854 5.877 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.278 -5.189 7.858 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.485 -5.686 6.161 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.152 -4.069 6.544 1.00 0.00 H new ATOM 823 N LEU A 53 -3.476 -7.025 3.043 1.00 0.00 N ATOM 824 CA LEU A 53 -4.017 -6.986 1.689 1.00 0.00 C ATOM 825 C LEU A 53 -5.505 -7.321 1.687 1.00 0.00 C ATOM 826 O LEU A 53 -6.267 -6.798 0.875 1.00 0.00 O ATOM 827 CB LEU A 53 -3.261 -7.965 0.789 1.00 0.00 C ATOM 828 CG LEU A 53 -1.881 -7.510 0.312 1.00 0.00 C ATOM 829 CD1 LEU A 53 -1.029 -8.707 -0.079 1.00 0.00 C ATOM 830 CD2 LEU A 53 -2.013 -6.543 -0.856 1.00 0.00 C ATOM 0 H LEU A 53 -2.597 -7.534 3.131 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.891 -5.975 1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.145 -8.906 1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.876 -8.171 -0.087 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.387 -6.992 1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.051 -8.363 -0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.906 -9.363 0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.518 -9.254 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.021 -6.229 -1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.527 -7.036 -1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.585 -5.670 -0.542 1.00 0.00 H new ATOM 842 N GLN A 54 -5.911 -8.195 2.603 1.00 0.00 N ATOM 843 CA GLN A 54 -7.308 -8.598 2.707 1.00 0.00 C ATOM 844 C GLN A 54 -8.074 -7.671 3.646 1.00 0.00 C ATOM 845 O GLN A 54 -9.302 -7.607 3.604 1.00 0.00 O ATOM 846 CB GLN A 54 -7.409 -10.042 3.202 1.00 0.00 C ATOM 847 CG GLN A 54 -8.791 -10.414 3.714 1.00 0.00 C ATOM 848 CD GLN A 54 -9.084 -11.895 3.578 1.00 0.00 C ATOM 849 OE1 GLN A 54 -9.102 -12.437 2.473 1.00 0.00 O ATOM 850 NE2 GLN A 54 -9.316 -12.559 4.704 1.00 0.00 N ATOM 0 H GLN A 54 -5.292 -8.637 3.283 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.754 -8.530 1.715 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.138 -10.716 2.389 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.682 -10.196 3.999 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.876 -10.125 4.762 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.543 -9.847 3.165 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.291 -12.070 5.599 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.519 -13.558 4.674 1.00 0.00 H new ATOM 859 N GLN A 55 -7.339 -6.956 4.492 1.00 0.00 N ATOM 860 CA GLN A 55 -7.950 -6.033 5.441 1.00 0.00 C ATOM 861 C GLN A 55 -8.182 -4.668 4.802 1.00 0.00 C ATOM 862 O GLN A 55 -9.043 -3.905 5.239 1.00 0.00 O ATOM 863 CB GLN A 55 -7.066 -5.886 6.681 1.00 0.00 C ATOM 864 CG GLN A 55 -7.093 -7.100 7.596 1.00 0.00 C ATOM 865 CD GLN A 55 -8.257 -7.073 8.568 1.00 0.00 C ATOM 866 OE1 GLN A 55 -8.530 -6.051 9.199 1.00 0.00 O ATOM 867 NE2 GLN A 55 -8.950 -8.198 8.693 1.00 0.00 N ATOM 0 H GLN A 55 -6.321 -6.998 4.540 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.916 -6.442 5.738 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.039 -5.703 6.365 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.387 -5.010 7.244 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.151 -8.005 6.991 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.159 -7.150 8.155 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.688 -9.021 8.150 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.744 -8.239 9.332 1.00 0.00 H new ATOM 876 N VAL A 56 -7.407 -4.367 3.765 1.00 0.00 N ATOM 877 CA VAL A 56 -7.529 -3.093 3.065 1.00 0.00 C ATOM 878 C VAL A 56 -7.844 -3.306 1.589 1.00 0.00 C ATOM 879 O VAL A 56 -8.433 -2.443 0.939 1.00 0.00 O ATOM 880 CB VAL A 56 -6.240 -2.260 3.188 1.00 0.00 C ATOM 881 CG1 VAL A 56 -5.896 -2.021 4.651 1.00 0.00 C ATOM 882 CG2 VAL A 56 -5.090 -2.947 2.467 1.00 0.00 C ATOM 0 H VAL A 56 -6.689 -4.987 3.391 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.350 -2.551 3.535 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.408 -1.292 2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.982 -1.431 4.718 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.712 -1.483 5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.747 -2.978 5.151 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.187 -2.344 2.565 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.919 -3.929 2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.338 -3.061 1.412 1.00 0.00 H new ATOM 892 N ALA A 57 -7.449 -4.462 1.065 1.00 0.00 N ATOM 893 CA ALA A 57 -7.692 -4.790 -0.334 1.00 0.00 C ATOM 894 C ALA A 57 -8.484 -6.086 -0.465 1.00 0.00 C ATOM 895 O ALA A 57 -8.792 -6.739 0.531 1.00 0.00 O ATOM 896 CB ALA A 57 -6.374 -4.896 -1.088 1.00 0.00 C ATOM 0 H ALA A 57 -6.959 -5.187 1.589 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.285 -3.987 -0.772 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.571 -5.141 -2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.845 -3.944 -1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.761 -5.678 -0.641 1.00 0.00 H new ATOM 902 N ASN A 58 -8.812 -6.451 -1.700 1.00 0.00 N ATOM 903 CA ASN A 58 -9.571 -7.669 -1.961 1.00 0.00 C ATOM 904 C ASN A 58 -8.863 -8.541 -2.993 1.00 0.00 C ATOM 905 O ASN A 58 -8.442 -8.058 -4.046 1.00 0.00 O ATOM 906 CB ASN A 58 -10.979 -7.324 -2.448 1.00 0.00 C ATOM 907 CG ASN A 58 -11.787 -6.581 -1.402 1.00 0.00 C ATOM 908 OD1 ASN A 58 -11.622 -6.801 -0.202 1.00 0.00 O ATOM 909 ND2 ASN A 58 -12.667 -5.695 -1.854 1.00 0.00 N ATOM 0 H ASN A 58 -8.564 -5.921 -2.536 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.644 -8.228 -1.028 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.910 -6.715 -3.349 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.501 -8.241 -2.722 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.240 -5.164 -1.198 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.770 -5.545 -2.858 1.00 0.00 H new ATOM 916 N LEU A 59 -8.735 -9.827 -2.686 1.00 0.00 N ATOM 917 CA LEU A 59 -8.078 -10.767 -3.587 1.00 0.00 C ATOM 918 C LEU A 59 -9.019 -11.195 -4.709 1.00 0.00 C ATOM 919 O LEU A 59 -10.175 -11.538 -4.465 1.00 0.00 O ATOM 920 CB LEU A 59 -7.598 -11.996 -2.813 1.00 0.00 C ATOM 921 CG LEU A 59 -6.375 -12.714 -3.384 1.00 0.00 C ATOM 922 CD1 LEU A 59 -5.921 -13.823 -2.448 1.00 0.00 C ATOM 923 CD2 LEU A 59 -6.682 -13.273 -4.766 1.00 0.00 C ATOM 0 H LEU A 59 -9.078 -10.243 -1.820 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.218 -10.265 -4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.371 -11.691 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.420 -12.710 -2.758 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.564 -11.991 -3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.050 -14.322 -2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.660 -13.397 -1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.727 -14.545 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.800 -13.781 -5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.508 -13.981 -4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.958 -12.458 -5.435 1.00 0.00 H new ATOM 935 N ASN A 60 -8.515 -11.172 -5.939 1.00 0.00 N ATOM 936 CA ASN A 60 -9.311 -11.559 -7.098 1.00 0.00 C ATOM 937 C ASN A 60 -8.834 -12.893 -7.665 1.00 0.00 C ATOM 938 O ASN A 60 -7.965 -12.933 -8.536 1.00 0.00 O ATOM 939 CB ASN A 60 -9.236 -10.477 -8.177 1.00 0.00 C ATOM 940 CG ASN A 60 -10.496 -10.413 -9.019 1.00 0.00 C ATOM 941 OD1 ASN A 60 -11.319 -11.328 -8.997 1.00 0.00 O ATOM 942 ND2 ASN A 60 -10.652 -9.327 -9.768 1.00 0.00 N ATOM 0 H ASN A 60 -7.560 -10.890 -6.158 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.346 -11.671 -6.776 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.067 -9.509 -7.706 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.380 -10.671 -8.823 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.480 -9.227 -10.356 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.944 -8.593 -9.755 1.00 0.00 H new ATOM 949 N SER A 61 -9.409 -13.982 -7.165 1.00 0.00 N ATOM 950 CA SER A 61 -9.040 -15.318 -7.619 1.00 0.00 C ATOM 951 C SER A 61 -8.750 -15.322 -9.116 1.00 0.00 C ATOM 952 O SER A 61 -7.934 -16.106 -9.601 1.00 0.00 O ATOM 953 CB SER A 61 -10.158 -16.313 -7.302 1.00 0.00 C ATOM 954 OG SER A 61 -10.430 -16.349 -5.912 1.00 0.00 O ATOM 0 H SER A 61 -10.132 -13.966 -6.446 1.00 0.00 H new ATOM 0 HA SER A 61 -8.135 -15.618 -7.091 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.061 -16.035 -7.845 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.872 -17.307 -7.646 1.00 0.00 H new ATOM 0 HG SER A 61 -11.149 -16.991 -5.736 1.00 0.00 H new ATOM 960 N LYS A 62 -9.424 -14.439 -9.846 1.00 0.00 N ATOM 961 CA LYS A 62 -9.239 -14.337 -11.288 1.00 0.00 C ATOM 962 C LYS A 62 -7.756 -14.318 -11.647 1.00 0.00 C ATOM 963 O LYS A 62 -7.248 -15.247 -12.275 1.00 0.00 O ATOM 964 CB LYS A 62 -9.920 -13.076 -11.823 1.00 0.00 C ATOM 965 CG LYS A 62 -10.350 -13.185 -13.276 1.00 0.00 C ATOM 966 CD LYS A 62 -11.554 -14.098 -13.433 1.00 0.00 C ATOM 967 CE LYS A 62 -12.000 -14.187 -14.885 1.00 0.00 C ATOM 968 NZ LYS A 62 -12.937 -15.323 -15.109 1.00 0.00 N ATOM 0 H LYS A 62 -10.104 -13.783 -9.461 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.695 -15.213 -11.750 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.794 -12.858 -11.210 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.238 -12.232 -11.717 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.591 -12.194 -13.661 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.522 -13.566 -13.874 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.307 -15.094 -13.065 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.376 -13.727 -12.821 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.484 -13.254 -15.174 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.127 -14.305 -15.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.217 -15.349 -16.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.467 -16.216 -14.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.782 -15.198 -14.516 1.00 0.00 H new ATOM 982 N ASP A 63 -7.068 -13.256 -11.243 1.00 0.00 N ATOM 983 CA ASP A 63 -5.643 -13.117 -11.520 1.00 0.00 C ATOM 984 C ASP A 63 -4.838 -13.094 -10.224 1.00 0.00 C ATOM 985 O ASP A 63 -3.688 -12.652 -10.203 1.00 0.00 O ATOM 986 CB ASP A 63 -5.379 -11.842 -12.322 1.00 0.00 C ATOM 987 CG ASP A 63 -5.965 -10.610 -11.661 1.00 0.00 C ATOM 988 OD1 ASP A 63 -7.046 -10.723 -11.046 1.00 0.00 O ATOM 989 OD2 ASP A 63 -5.341 -9.533 -11.757 1.00 0.00 O ATOM 0 H ASP A 63 -7.474 -12.478 -10.722 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.326 -13.978 -12.108 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.304 -11.709 -12.444 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.802 -11.951 -13.321 1.00 0.00 H new ATOM 994 N LEU A 64 -5.449 -13.570 -9.145 1.00 0.00 N ATOM 995 CA LEU A 64 -4.789 -13.603 -7.844 1.00 0.00 C ATOM 996 C LEU A 64 -4.186 -12.244 -7.505 1.00 0.00 C ATOM 997 O LEU A 64 -3.144 -12.160 -6.855 1.00 0.00 O ATOM 998 CB LEU A 64 -3.699 -14.675 -7.830 1.00 0.00 C ATOM 999 CG LEU A 64 -4.153 -16.089 -7.467 1.00 0.00 C ATOM 1000 CD1 LEU A 64 -3.182 -17.121 -8.021 1.00 0.00 C ATOM 1001 CD2 LEU A 64 -4.284 -16.236 -5.958 1.00 0.00 C ATOM 0 H LEU A 64 -6.400 -13.938 -9.145 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.538 -13.846 -7.090 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.235 -14.706 -8.816 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.927 -14.370 -7.124 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.131 -16.262 -7.916 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.522 -18.121 -7.752 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.137 -17.032 -9.106 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.191 -16.950 -7.602 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.608 -17.249 -5.718 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.319 -16.043 -5.489 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.018 -15.522 -5.585 1.00 0.00 H new ATOM 1013 N SER A 65 -4.850 -11.180 -7.948 1.00 0.00 N ATOM 1014 CA SER A 65 -4.378 -9.824 -7.693 1.00 0.00 C ATOM 1015 C SER A 65 -5.195 -9.164 -6.587 1.00 0.00 C ATOM 1016 O SER A 65 -6.406 -9.365 -6.490 1.00 0.00 O ATOM 1017 CB SER A 65 -4.457 -8.986 -8.971 1.00 0.00 C ATOM 1018 OG SER A 65 -5.796 -8.855 -9.413 1.00 0.00 O ATOM 0 H SER A 65 -5.716 -11.231 -8.485 1.00 0.00 H new ATOM 0 HA SER A 65 -3.339 -9.882 -7.368 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.033 -7.999 -8.789 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.857 -9.452 -9.753 1.00 0.00 H new ATOM 0 HG SER A 65 -5.805 -8.625 -10.366 1.00 0.00 H new ATOM 1024 N TYR A 66 -4.524 -8.376 -5.755 1.00 0.00 N ATOM 1025 CA TYR A 66 -5.186 -7.687 -4.653 1.00 0.00 C ATOM 1026 C TYR A 66 -5.575 -6.267 -5.053 1.00 0.00 C ATOM 1027 O TYR A 66 -4.721 -5.448 -5.394 1.00 0.00 O ATOM 1028 CB TYR A 66 -4.275 -7.651 -3.425 1.00 0.00 C ATOM 1029 CG TYR A 66 -4.154 -8.984 -2.722 1.00 0.00 C ATOM 1030 CD1 TYR A 66 -5.125 -9.409 -1.824 1.00 0.00 C ATOM 1031 CD2 TYR A 66 -3.068 -9.819 -2.956 1.00 0.00 C ATOM 1032 CE1 TYR A 66 -5.018 -10.626 -1.179 1.00 0.00 C ATOM 1033 CE2 TYR A 66 -2.954 -11.039 -2.317 1.00 0.00 C ATOM 1034 CZ TYR A 66 -3.931 -11.437 -1.429 1.00 0.00 C ATOM 1035 OH TYR A 66 -3.821 -12.651 -0.789 1.00 0.00 O ATOM 0 H TYR A 66 -3.522 -8.198 -5.822 1.00 0.00 H new ATOM 0 HA TYR A 66 -6.094 -8.238 -4.407 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.282 -7.319 -3.729 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.657 -6.912 -2.721 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.978 -8.777 -1.627 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.300 -9.509 -3.649 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.781 -10.941 -0.483 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.105 -11.677 -2.512 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.998 -13.099 -1.077 1.00 0.00 H new ATOM 1045 N THR A 67 -6.873 -5.981 -5.010 1.00 0.00 N ATOM 1046 CA THR A 67 -7.378 -4.662 -5.368 1.00 0.00 C ATOM 1047 C THR A 67 -7.736 -3.855 -4.125 1.00 0.00 C ATOM 1048 O THR A 67 -8.524 -4.299 -3.289 1.00 0.00 O ATOM 1049 CB THR A 67 -8.617 -4.762 -6.276 1.00 0.00 C ATOM 1050 OG1 THR A 67 -9.698 -5.376 -5.565 1.00 0.00 O ATOM 1051 CG2 THR A 67 -8.307 -5.566 -7.529 1.00 0.00 C ATOM 0 H THR A 67 -7.594 -6.646 -4.730 1.00 0.00 H new ATOM 0 HA THR A 67 -6.580 -4.154 -5.910 1.00 0.00 H new ATOM 0 HB THR A 67 -8.904 -3.753 -6.573 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.541 -5.300 -4.601 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.198 -5.623 -8.155 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.504 -5.080 -8.084 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.996 -6.572 -7.248 1.00 0.00 H new ATOM 1059 N LEU A 68 -7.153 -2.667 -4.009 1.00 0.00 N ATOM 1060 CA LEU A 68 -7.411 -1.796 -2.867 1.00 0.00 C ATOM 1061 C LEU A 68 -8.906 -1.543 -2.703 1.00 0.00 C ATOM 1062 O LEU A 68 -9.591 -1.161 -3.652 1.00 0.00 O ATOM 1063 CB LEU A 68 -6.674 -0.467 -3.037 1.00 0.00 C ATOM 1064 CG LEU A 68 -6.237 0.229 -1.747 1.00 0.00 C ATOM 1065 CD1 LEU A 68 -6.138 1.732 -1.958 1.00 0.00 C ATOM 1066 CD2 LEU A 68 -7.204 -0.090 -0.616 1.00 0.00 C ATOM 0 H LEU A 68 -6.499 -2.285 -4.691 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.044 -2.296 -1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.789 -0.641 -3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.318 0.214 -3.593 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.250 -0.144 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.826 2.210 -1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.406 1.942 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.111 2.122 -2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.878 0.413 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.203 0.255 -0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.225 -1.167 -0.448 1.00 0.00 H new ATOM 1078 N LYS A 69 -9.408 -1.758 -1.491 1.00 0.00 N ATOM 1079 CA LYS A 69 -10.821 -1.551 -1.199 1.00 0.00 C ATOM 1080 C LYS A 69 -11.270 -0.162 -1.642 1.00 0.00 C ATOM 1081 O LYS A 69 -10.485 0.606 -2.199 1.00 0.00 O ATOM 1082 CB LYS A 69 -11.086 -1.731 0.297 1.00 0.00 C ATOM 1083 CG LYS A 69 -11.176 -3.185 0.728 1.00 0.00 C ATOM 1084 CD LYS A 69 -11.021 -3.331 2.232 1.00 0.00 C ATOM 1085 CE LYS A 69 -10.762 -4.777 2.628 1.00 0.00 C ATOM 1086 NZ LYS A 69 -12.030 -5.532 2.828 1.00 0.00 N ATOM 0 H LYS A 69 -8.856 -2.076 -0.695 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.394 -2.294 -1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.291 -1.243 0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.016 -1.226 0.556 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.136 -3.598 0.418 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.402 -3.764 0.224 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.198 -2.705 2.576 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.923 -2.973 2.728 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.167 -5.264 1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.175 -4.803 3.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.811 -6.513 3.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.587 -5.082 3.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.579 -5.529 1.945 1.00 0.00 H new ATOM 1100 N ASP A 70 -12.535 0.155 -1.389 1.00 0.00 N ATOM 1101 CA ASP A 70 -13.087 1.453 -1.760 1.00 0.00 C ATOM 1102 C ASP A 70 -13.078 2.407 -0.570 1.00 0.00 C ATOM 1103 O ASP A 70 -12.839 3.605 -0.723 1.00 0.00 O ATOM 1104 CB ASP A 70 -14.513 1.292 -2.289 1.00 0.00 C ATOM 1105 CG ASP A 70 -15.362 0.400 -1.405 1.00 0.00 C ATOM 1106 OD1 ASP A 70 -15.829 0.881 -0.351 1.00 0.00 O ATOM 1107 OD2 ASP A 70 -15.561 -0.778 -1.767 1.00 0.00 O ATOM 0 H ASP A 70 -13.198 -0.469 -0.929 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.461 1.875 -2.546 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.981 2.273 -2.367 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.479 0.875 -3.295 1.00 0.00 H new ATOM 1112 N TYR A 71 -13.341 1.868 0.616 1.00 0.00 N ATOM 1113 CA TYR A 71 -13.367 2.672 1.832 1.00 0.00 C ATOM 1114 C TYR A 71 -11.961 3.126 2.214 1.00 0.00 C ATOM 1115 O TYR A 71 -11.758 4.264 2.639 1.00 0.00 O ATOM 1116 CB TYR A 71 -13.988 1.876 2.981 1.00 0.00 C ATOM 1117 CG TYR A 71 -12.970 1.172 3.850 1.00 0.00 C ATOM 1118 CD1 TYR A 71 -12.451 -0.064 3.482 1.00 0.00 C ATOM 1119 CD2 TYR A 71 -12.529 1.740 5.038 1.00 0.00 C ATOM 1120 CE1 TYR A 71 -11.521 -0.712 4.272 1.00 0.00 C ATOM 1121 CE2 TYR A 71 -11.598 1.100 5.834 1.00 0.00 C ATOM 1122 CZ TYR A 71 -11.098 -0.126 5.447 1.00 0.00 C ATOM 1123 OH TYR A 71 -10.172 -0.767 6.237 1.00 0.00 O ATOM 0 H TYR A 71 -13.539 0.878 0.761 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.976 3.556 1.641 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -14.579 2.550 3.601 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -14.675 1.137 2.570 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.780 -0.526 2.563 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.920 2.699 5.345 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.127 -1.672 3.971 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.264 1.557 6.754 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.981 -0.220 7.027 1.00 0.00 H new ATOM 1133 N VAL A 72 -10.994 2.228 2.060 1.00 0.00 N ATOM 1134 CA VAL A 72 -9.606 2.535 2.387 1.00 0.00 C ATOM 1135 C VAL A 72 -9.131 3.782 1.650 1.00 0.00 C ATOM 1136 O VAL A 72 -8.272 4.516 2.140 1.00 0.00 O ATOM 1137 CB VAL A 72 -8.674 1.359 2.038 1.00 0.00 C ATOM 1138 CG1 VAL A 72 -7.244 1.671 2.452 1.00 0.00 C ATOM 1139 CG2 VAL A 72 -9.162 0.079 2.699 1.00 0.00 C ATOM 0 H VAL A 72 -11.146 1.282 1.711 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.566 2.714 3.461 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.691 1.212 0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.600 0.829 2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.900 2.563 1.928 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.206 1.845 3.527 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.492 -0.742 2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.176 0.211 3.781 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.168 -0.151 2.349 1.00 0.00 H new ATOM 1149 N PHE A 73 -9.696 4.017 0.470 1.00 0.00 N ATOM 1150 CA PHE A 73 -9.330 5.176 -0.335 1.00 0.00 C ATOM 1151 C PHE A 73 -9.377 6.453 0.497 1.00 0.00 C ATOM 1152 O PHE A 73 -8.628 7.399 0.248 1.00 0.00 O ATOM 1153 CB PHE A 73 -10.266 5.303 -1.539 1.00 0.00 C ATOM 1154 CG PHE A 73 -9.980 4.310 -2.629 1.00 0.00 C ATOM 1155 CD1 PHE A 73 -8.680 4.082 -3.052 1.00 0.00 C ATOM 1156 CD2 PHE A 73 -11.010 3.606 -3.231 1.00 0.00 C ATOM 1157 CE1 PHE A 73 -8.413 3.169 -4.055 1.00 0.00 C ATOM 1158 CE2 PHE A 73 -10.749 2.692 -4.234 1.00 0.00 C ATOM 1159 CZ PHE A 73 -9.449 2.474 -4.647 1.00 0.00 C ATOM 0 H PHE A 73 -10.409 3.420 0.050 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.310 5.033 -0.690 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.295 5.176 -1.204 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.186 6.311 -1.947 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.866 4.624 -2.593 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -12.028 3.773 -2.913 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.396 3.000 -4.375 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.561 2.149 -4.695 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.243 1.761 -5.432 1.00 0.00 H new ATOM 1169 N LYS A 74 -10.262 6.475 1.487 1.00 0.00 N ATOM 1170 CA LYS A 74 -10.408 7.635 2.358 1.00 0.00 C ATOM 1171 C LYS A 74 -9.251 7.722 3.348 1.00 0.00 C ATOM 1172 O LYS A 74 -8.816 8.813 3.714 1.00 0.00 O ATOM 1173 CB LYS A 74 -11.737 7.566 3.115 1.00 0.00 C ATOM 1174 CG LYS A 74 -11.722 6.593 4.282 1.00 0.00 C ATOM 1175 CD LYS A 74 -13.107 6.032 4.557 1.00 0.00 C ATOM 1176 CE LYS A 74 -14.028 7.086 5.151 1.00 0.00 C ATOM 1177 NZ LYS A 74 -13.964 7.104 6.639 1.00 0.00 N ATOM 0 H LYS A 74 -10.890 5.702 1.707 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.397 8.529 1.735 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.987 8.560 3.485 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.526 7.276 2.421 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.033 5.776 4.067 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.349 7.098 5.173 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.537 5.652 3.630 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.029 5.188 5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.754 8.067 4.764 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.053 6.893 4.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.606 7.836 7.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.250 6.175 7.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.991 7.313 6.942 1.00 0.00 H new ATOM 1191 N GLU A 75 -8.756 6.564 3.776 1.00 0.00 N ATOM 1192 CA GLU A 75 -7.648 6.511 4.722 1.00 0.00 C ATOM 1193 C GLU A 75 -6.365 7.040 4.089 1.00 0.00 C ATOM 1194 O GLU A 75 -5.564 7.708 4.745 1.00 0.00 O ATOM 1195 CB GLU A 75 -7.435 5.077 5.211 1.00 0.00 C ATOM 1196 CG GLU A 75 -8.652 4.480 5.898 1.00 0.00 C ATOM 1197 CD GLU A 75 -8.293 3.347 6.840 1.00 0.00 C ATOM 1198 OE1 GLU A 75 -8.202 2.193 6.371 1.00 0.00 O ATOM 1199 OE2 GLU A 75 -8.105 3.614 8.045 1.00 0.00 O ATOM 0 H GLU A 75 -9.105 5.651 3.483 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.900 7.144 5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.163 4.449 4.362 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.593 5.059 5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.169 5.261 6.455 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.347 4.113 5.143 1.00 0.00 H new ATOM 1206 N LEU A 76 -6.176 6.738 2.809 1.00 0.00 N ATOM 1207 CA LEU A 76 -4.990 7.182 2.085 1.00 0.00 C ATOM 1208 C LEU A 76 -4.627 8.615 2.462 1.00 0.00 C ATOM 1209 O LEU A 76 -5.453 9.354 2.995 1.00 0.00 O ATOM 1210 CB LEU A 76 -5.222 7.083 0.576 1.00 0.00 C ATOM 1211 CG LEU A 76 -5.302 5.668 0.001 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -5.851 5.699 -1.417 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -3.935 5.002 0.032 1.00 0.00 C ATOM 0 H LEU A 76 -6.829 6.188 2.251 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.161 6.531 2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.149 7.604 0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.417 7.615 0.069 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.983 5.083 0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.901 4.684 -1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.850 6.135 -1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.196 6.300 -2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.011 3.996 -0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.232 5.586 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.581 4.946 1.061 1.00 0.00 H new ATOM 1225 N GLN A 77 -3.386 9.000 2.179 1.00 0.00 N ATOM 1226 CA GLN A 77 -2.915 10.345 2.487 1.00 0.00 C ATOM 1227 C GLN A 77 -2.471 11.070 1.221 1.00 0.00 C ATOM 1228 O GLN A 77 -1.401 10.794 0.679 1.00 0.00 O ATOM 1229 CB GLN A 77 -1.759 10.286 3.487 1.00 0.00 C ATOM 1230 CG GLN A 77 -2.070 9.466 4.728 1.00 0.00 C ATOM 1231 CD GLN A 77 -1.043 9.658 5.827 1.00 0.00 C ATOM 1232 OE1 GLN A 77 -0.483 10.743 5.986 1.00 0.00 O ATOM 1233 NE2 GLN A 77 -0.791 8.603 6.593 1.00 0.00 N ATOM 0 H GLN A 77 -2.690 8.400 1.737 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.742 10.900 2.930 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.883 9.865 2.993 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.498 11.301 3.788 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.055 9.743 5.104 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.116 8.411 4.459 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.279 7.723 6.425 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.110 8.673 7.349 1.00 0.00 H new ATOM 1242 N ARG A 78 -3.301 11.997 0.753 1.00 0.00 N ATOM 1243 CA ARG A 78 -2.995 12.760 -0.450 1.00 0.00 C ATOM 1244 C ARG A 78 -1.567 13.297 -0.405 1.00 0.00 C ATOM 1245 O ARG A 78 -0.943 13.519 -1.442 1.00 0.00 O ATOM 1246 CB ARG A 78 -3.982 13.917 -0.611 1.00 0.00 C ATOM 1247 CG ARG A 78 -5.233 13.547 -1.392 1.00 0.00 C ATOM 1248 CD ARG A 78 -5.826 14.755 -2.099 1.00 0.00 C ATOM 1249 NE ARG A 78 -6.475 15.672 -1.165 1.00 0.00 N ATOM 1250 CZ ARG A 78 -7.696 15.481 -0.677 1.00 0.00 C ATOM 1251 NH1 ARG A 78 -8.396 14.413 -1.032 1.00 0.00 N ATOM 1252 NH2 ARG A 78 -8.218 16.361 0.168 1.00 0.00 N ATOM 0 H ARG A 78 -4.191 12.237 1.190 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.087 12.092 -1.307 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.273 14.275 0.377 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.481 14.744 -1.115 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.991 12.777 -2.125 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.973 13.121 -0.715 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.039 15.283 -2.637 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.551 14.421 -2.842 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.963 16.504 -0.872 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.998 13.735 -1.682 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.333 14.269 -0.656 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.682 17.184 0.443 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.155 16.214 0.543 1.00 0.00 H new ATOM 1266 N ASP A 79 -1.058 13.506 0.804 1.00 0.00 N ATOM 1267 CA ASP A 79 0.296 14.017 0.986 1.00 0.00 C ATOM 1268 C ASP A 79 1.294 12.872 1.129 1.00 0.00 C ATOM 1269 O ASP A 79 2.338 13.022 1.764 1.00 0.00 O ATOM 1270 CB ASP A 79 0.361 14.923 2.216 1.00 0.00 C ATOM 1271 CG ASP A 79 0.063 16.372 1.884 1.00 0.00 C ATOM 1272 OD1 ASP A 79 0.681 16.903 0.937 1.00 0.00 O ATOM 1273 OD2 ASP A 79 -0.788 16.975 2.571 1.00 0.00 O ATOM 0 H ASP A 79 -1.562 13.330 1.673 1.00 0.00 H new ATOM 0 HA ASP A 79 0.561 14.598 0.102 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.352 14.570 2.962 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.352 14.852 2.664 1.00 0.00 H new ATOM 1278 N TRP A 80 0.966 11.731 0.535 1.00 0.00 N ATOM 1279 CA TRP A 80 1.834 10.560 0.597 1.00 0.00 C ATOM 1280 C TRP A 80 3.113 10.788 -0.200 1.00 0.00 C ATOM 1281 O TRP A 80 3.100 10.882 -1.428 1.00 0.00 O ATOM 1282 CB TRP A 80 1.100 9.327 0.066 1.00 0.00 C ATOM 1283 CG TRP A 80 1.900 8.065 0.183 1.00 0.00 C ATOM 1284 CD1 TRP A 80 2.463 7.354 -0.839 1.00 0.00 C ATOM 1285 CD2 TRP A 80 2.223 7.363 1.388 1.00 0.00 C ATOM 1286 NE1 TRP A 80 3.116 6.253 -0.341 1.00 0.00 N ATOM 1287 CE2 TRP A 80 2.985 6.236 1.023 1.00 0.00 C ATOM 1288 CE3 TRP A 80 1.945 7.578 2.741 1.00 0.00 C ATOM 1289 CZ2 TRP A 80 3.469 5.329 1.962 1.00 0.00 C ATOM 1290 CZ3 TRP A 80 2.426 6.677 3.671 1.00 0.00 C ATOM 1291 CH2 TRP A 80 3.181 5.564 3.279 1.00 0.00 C ATOM 0 H TRP A 80 0.106 11.591 0.005 1.00 0.00 H new ATOM 0 HA TRP A 80 2.103 10.393 1.640 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.164 9.207 0.611 1.00 0.00 H new ATOM 0 HB3 TRP A 80 0.841 9.489 -0.980 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.403 7.619 -1.884 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.617 5.560 -0.897 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.364 8.433 3.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 4.051 4.470 1.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.216 6.833 4.719 1.00 0.00 H new ATOM 0 HH2 TRP A 80 3.543 4.878 4.031 1.00 0.00 H new ATOM 1302 N PRO A 81 4.247 10.879 0.511 1.00 0.00 N ATOM 1303 CA PRO A 81 5.556 11.096 -0.111 1.00 0.00 C ATOM 1304 C PRO A 81 6.033 9.881 -0.899 1.00 0.00 C ATOM 1305 O PRO A 81 7.126 9.885 -1.464 1.00 0.00 O ATOM 1306 CB PRO A 81 6.478 11.355 1.083 1.00 0.00 C ATOM 1307 CG PRO A 81 5.816 10.668 2.228 1.00 0.00 C ATOM 1308 CD PRO A 81 4.338 10.777 1.977 1.00 0.00 C ATOM 0 HA PRO A 81 5.533 11.911 -0.834 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.477 10.956 0.906 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.590 12.423 1.273 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.126 9.625 2.289 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.087 11.137 3.174 1.00 0.00 H new ATOM 0 HD2 PRO A 81 3.801 9.906 2.353 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.911 11.651 2.468 1.00 0.00 H new ATOM 1316 N GLY A 82 5.205 8.841 -0.932 1.00 0.00 N ATOM 1317 CA GLY A 82 5.560 7.633 -1.654 1.00 0.00 C ATOM 1318 C GLY A 82 5.011 7.620 -3.067 1.00 0.00 C ATOM 1319 O GLY A 82 4.872 6.559 -3.677 1.00 0.00 O ATOM 0 H GLY A 82 4.295 8.814 -0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.645 7.540 -1.688 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.182 6.766 -1.113 1.00 0.00 H new ATOM 1323 N TYR A 83 4.698 8.800 -3.589 1.00 0.00 N ATOM 1324 CA TYR A 83 4.157 8.920 -4.938 1.00 0.00 C ATOM 1325 C TYR A 83 5.023 9.841 -5.792 1.00 0.00 C ATOM 1326 O TYR A 83 5.141 11.035 -5.514 1.00 0.00 O ATOM 1327 CB TYR A 83 2.723 9.449 -4.890 1.00 0.00 C ATOM 1328 CG TYR A 83 1.749 8.501 -4.227 1.00 0.00 C ATOM 1329 CD1 TYR A 83 1.810 7.133 -4.465 1.00 0.00 C ATOM 1330 CD2 TYR A 83 0.768 8.972 -3.364 1.00 0.00 C ATOM 1331 CE1 TYR A 83 0.923 6.263 -3.862 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -0.123 8.110 -2.756 1.00 0.00 C ATOM 1333 CZ TYR A 83 -0.042 6.756 -3.008 1.00 0.00 C ATOM 1334 OH TYR A 83 -0.928 5.893 -2.405 1.00 0.00 O ATOM 0 H TYR A 83 4.809 9.688 -3.099 1.00 0.00 H new ATOM 0 HA TYR A 83 4.156 7.929 -5.391 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.713 10.399 -4.356 1.00 0.00 H new ATOM 0 HB3 TYR A 83 2.385 9.651 -5.906 1.00 0.00 H new ATOM 0 HD1 TYR A 83 2.564 6.744 -5.133 1.00 0.00 H new ATOM 0 HD2 TYR A 83 0.701 10.031 -3.165 1.00 0.00 H new ATOM 0 HE1 TYR A 83 0.984 5.203 -4.058 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -0.879 8.494 -2.087 1.00 0.00 H new ATOM 0 HH TYR A 83 -1.168 5.180 -3.032 1.00 0.00 H new ATOM 1344 N SER A 84 5.626 9.278 -6.834 1.00 0.00 N ATOM 1345 CA SER A 84 6.484 10.047 -7.728 1.00 0.00 C ATOM 1346 C SER A 84 5.683 11.117 -8.462 1.00 0.00 C ATOM 1347 O SER A 84 4.453 11.112 -8.438 1.00 0.00 O ATOM 1348 CB SER A 84 7.165 9.120 -8.738 1.00 0.00 C ATOM 1349 OG SER A 84 8.100 8.268 -8.099 1.00 0.00 O ATOM 0 H SER A 84 5.536 8.292 -7.080 1.00 0.00 H new ATOM 0 HA SER A 84 7.247 10.539 -7.125 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.413 8.520 -9.250 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.671 9.715 -9.499 1.00 0.00 H new ATOM 0 HG SER A 84 8.520 7.685 -8.765 1.00 0.00 H new ATOM 1355 N GLU A 85 6.391 12.034 -9.114 1.00 0.00 N ATOM 1356 CA GLU A 85 5.746 13.112 -9.855 1.00 0.00 C ATOM 1357 C GLU A 85 4.457 12.625 -10.512 1.00 0.00 C ATOM 1358 O GLU A 85 3.488 13.376 -10.632 1.00 0.00 O ATOM 1359 CB GLU A 85 6.694 13.669 -10.919 1.00 0.00 C ATOM 1360 CG GLU A 85 5.987 14.436 -12.023 1.00 0.00 C ATOM 1361 CD GLU A 85 6.894 14.729 -13.203 1.00 0.00 C ATOM 1362 OE1 GLU A 85 7.670 15.705 -13.128 1.00 0.00 O ATOM 1363 OE2 GLU A 85 6.827 13.982 -14.201 1.00 0.00 O ATOM 0 H GLU A 85 7.410 12.052 -9.144 1.00 0.00 H new ATOM 0 HA GLU A 85 5.498 13.905 -9.149 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.419 14.326 -10.439 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.254 12.845 -11.362 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.126 13.862 -12.365 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.605 15.375 -11.621 1.00 0.00 H new ATOM 1370 N ILE A 86 4.454 11.366 -10.934 1.00 0.00 N ATOM 1371 CA ILE A 86 3.286 10.779 -11.578 1.00 0.00 C ATOM 1372 C ILE A 86 2.362 10.130 -10.553 1.00 0.00 C ATOM 1373 O ILE A 86 1.204 10.524 -10.408 1.00 0.00 O ATOM 1374 CB ILE A 86 3.690 9.727 -12.627 1.00 0.00 C ATOM 1375 CG1 ILE A 86 4.943 10.179 -13.379 1.00 0.00 C ATOM 1376 CG2 ILE A 86 2.544 9.479 -13.597 1.00 0.00 C ATOM 1377 CD1 ILE A 86 4.799 11.536 -14.033 1.00 0.00 C ATOM 0 H ILE A 86 5.248 10.732 -10.842 1.00 0.00 H new ATOM 0 HA ILE A 86 2.758 11.592 -12.076 1.00 0.00 H new ATOM 0 HB ILE A 86 3.915 8.792 -12.114 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.783 10.206 -12.685 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.185 9.440 -14.143 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.845 8.733 -14.333 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.675 9.117 -13.048 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.291 10.409 -14.106 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.725 11.792 -14.548 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.980 11.508 -14.752 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.588 12.286 -13.271 1.00 0.00 H new ATOM 1389 N ASP A 87 2.881 9.135 -9.843 1.00 0.00 N ATOM 1390 CA ASP A 87 2.104 8.432 -8.829 1.00 0.00 C ATOM 1391 C ASP A 87 1.080 9.363 -8.188 1.00 0.00 C ATOM 1392 O ASP A 87 -0.092 9.011 -8.049 1.00 0.00 O ATOM 1393 CB ASP A 87 3.029 7.855 -7.756 1.00 0.00 C ATOM 1394 CG ASP A 87 4.107 6.963 -8.340 1.00 0.00 C ATOM 1395 OD1 ASP A 87 4.139 6.805 -9.578 1.00 0.00 O ATOM 1396 OD2 ASP A 87 4.917 6.422 -7.558 1.00 0.00 O ATOM 0 H ASP A 87 3.837 8.797 -9.951 1.00 0.00 H new ATOM 0 HA ASP A 87 1.572 7.615 -9.316 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.496 8.672 -7.206 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.438 7.284 -7.039 1.00 0.00 H new ATOM 1401 N ARG A 88 1.530 10.551 -7.797 1.00 0.00 N ATOM 1402 CA ARG A 88 0.653 11.531 -7.169 1.00 0.00 C ATOM 1403 C ARG A 88 -0.468 11.946 -8.118 1.00 0.00 C ATOM 1404 O ARG A 88 -1.636 11.632 -7.889 1.00 0.00 O ATOM 1405 CB ARG A 88 1.453 12.762 -6.740 1.00 0.00 C ATOM 1406 CG ARG A 88 2.643 12.436 -5.852 1.00 0.00 C ATOM 1407 CD ARG A 88 3.653 13.573 -5.834 1.00 0.00 C ATOM 1408 NE ARG A 88 3.332 14.573 -4.819 1.00 0.00 N ATOM 1409 CZ ARG A 88 3.897 15.774 -4.766 1.00 0.00 C ATOM 1410 NH1 ARG A 88 4.807 16.123 -5.666 1.00 0.00 N ATOM 1411 NH2 ARG A 88 3.553 16.630 -3.812 1.00 0.00 N ATOM 0 H ARG A 88 2.497 10.858 -7.904 1.00 0.00 H new ATOM 0 HA ARG A 88 0.208 11.070 -6.288 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.806 13.283 -7.630 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.792 13.448 -6.210 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.298 12.239 -4.837 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.125 11.525 -6.208 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.648 13.171 -5.645 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.682 14.048 -6.815 1.00 0.00 H new ATOM 0 HE ARG A 88 2.636 14.336 -4.112 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.074 15.468 -6.401 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.239 17.046 -5.623 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.854 16.366 -3.118 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.988 17.552 -3.773 1.00 0.00 H new ATOM 1425 N ARG A 89 -0.104 12.652 -9.182 1.00 0.00 N ATOM 1426 CA ARG A 89 -1.079 13.111 -10.165 1.00 0.00 C ATOM 1427 C ARG A 89 -1.883 11.939 -10.721 1.00 0.00 C ATOM 1428 O ARG A 89 -2.911 12.131 -11.369 1.00 0.00 O ATOM 1429 CB ARG A 89 -0.376 13.848 -11.306 1.00 0.00 C ATOM 1430 CG ARG A 89 0.280 12.922 -12.317 1.00 0.00 C ATOM 1431 CD ARG A 89 -0.610 12.703 -13.531 1.00 0.00 C ATOM 1432 NE ARG A 89 -1.160 13.956 -14.040 1.00 0.00 N ATOM 1433 CZ ARG A 89 -2.106 14.019 -14.970 1.00 0.00 C ATOM 1434 NH1 ARG A 89 -2.605 12.906 -15.490 1.00 0.00 N ATOM 1435 NH2 ARG A 89 -2.556 15.198 -15.382 1.00 0.00 N ATOM 0 H ARG A 89 0.859 12.919 -9.386 1.00 0.00 H new ATOM 0 HA ARG A 89 -1.765 13.796 -9.667 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.101 14.479 -11.821 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.382 14.510 -10.887 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.233 13.345 -12.635 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.498 11.963 -11.846 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.036 12.213 -14.318 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.426 12.030 -13.266 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.798 14.831 -13.661 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.262 11.998 -15.176 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.331 12.958 -16.204 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.175 16.057 -14.984 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.283 15.245 -16.096 1.00 0.00 H new ATOM 1449 N SER A 90 -1.406 10.726 -10.463 1.00 0.00 N ATOM 1450 CA SER A 90 -2.078 9.523 -10.941 1.00 0.00 C ATOM 1451 C SER A 90 -3.090 9.022 -9.915 1.00 0.00 C ATOM 1452 O SER A 90 -4.022 8.290 -10.251 1.00 0.00 O ATOM 1453 CB SER A 90 -1.054 8.427 -11.241 1.00 0.00 C ATOM 1454 OG SER A 90 -1.507 7.577 -12.281 1.00 0.00 O ATOM 0 H SER A 90 -0.557 10.550 -9.926 1.00 0.00 H new ATOM 0 HA SER A 90 -2.611 9.774 -11.858 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.104 8.880 -11.525 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.871 7.840 -10.341 1.00 0.00 H new ATOM 0 HG SER A 90 -0.834 6.886 -12.455 1.00 0.00 H new ATOM 1460 N LEU A 91 -2.900 9.421 -8.662 1.00 0.00 N ATOM 1461 CA LEU A 91 -3.796 9.013 -7.585 1.00 0.00 C ATOM 1462 C LEU A 91 -4.914 10.033 -7.392 1.00 0.00 C ATOM 1463 O LEU A 91 -6.075 9.667 -7.211 1.00 0.00 O ATOM 1464 CB LEU A 91 -3.014 8.844 -6.282 1.00 0.00 C ATOM 1465 CG LEU A 91 -3.787 9.130 -4.994 1.00 0.00 C ATOM 1466 CD1 LEU A 91 -3.226 8.311 -3.842 1.00 0.00 C ATOM 1467 CD2 LEU A 91 -3.743 10.615 -4.664 1.00 0.00 C ATOM 0 H LEU A 91 -2.134 10.026 -8.367 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.244 8.058 -7.859 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.638 7.822 -6.237 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.146 9.502 -6.315 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.827 8.842 -5.146 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.788 8.528 -2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.309 7.250 -4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.178 8.568 -3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.298 10.800 -3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.707 10.928 -4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.192 11.182 -5.479 1.00 0.00 H new ATOM 1479 N GLU A 92 -4.556 11.312 -7.435 1.00 0.00 N ATOM 1480 CA GLU A 92 -5.530 12.384 -7.266 1.00 0.00 C ATOM 1481 C GLU A 92 -6.810 12.083 -8.041 1.00 0.00 C ATOM 1482 O GLU A 92 -7.892 12.540 -7.675 1.00 0.00 O ATOM 1483 CB GLU A 92 -4.941 13.717 -7.730 1.00 0.00 C ATOM 1484 CG GLU A 92 -4.590 13.746 -9.208 1.00 0.00 C ATOM 1485 CD GLU A 92 -4.286 15.145 -9.708 1.00 0.00 C ATOM 1486 OE1 GLU A 92 -3.643 15.914 -8.964 1.00 0.00 O ATOM 1487 OE2 GLU A 92 -4.693 15.471 -10.843 1.00 0.00 O ATOM 0 H GLU A 92 -3.599 11.631 -7.585 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.775 12.453 -6.206 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.655 14.513 -7.519 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.044 13.931 -7.148 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.726 13.105 -9.385 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.418 13.331 -9.782 1.00 0.00 H new ATOM 1494 N SER A 93 -6.676 11.312 -9.116 1.00 0.00 N ATOM 1495 CA SER A 93 -7.819 10.954 -9.947 1.00 0.00 C ATOM 1496 C SER A 93 -8.691 9.913 -9.251 1.00 0.00 C ATOM 1497 O SER A 93 -9.884 10.129 -9.035 1.00 0.00 O ATOM 1498 CB SER A 93 -7.346 10.418 -11.299 1.00 0.00 C ATOM 1499 OG SER A 93 -8.351 10.565 -12.287 1.00 0.00 O ATOM 0 H SER A 93 -5.787 10.924 -9.431 1.00 0.00 H new ATOM 0 HA SER A 93 -8.415 11.852 -10.109 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.446 10.949 -11.609 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.078 9.366 -11.203 1.00 0.00 H new ATOM 0 HG SER A 93 -8.023 10.216 -13.142 1.00 0.00 H new ATOM 1505 N VAL A 94 -8.087 8.781 -8.903 1.00 0.00 N ATOM 1506 CA VAL A 94 -8.806 7.705 -8.231 1.00 0.00 C ATOM 1507 C VAL A 94 -9.721 8.253 -7.142 1.00 0.00 C ATOM 1508 O VAL A 94 -10.938 8.069 -7.187 1.00 0.00 O ATOM 1509 CB VAL A 94 -7.835 6.686 -7.606 1.00 0.00 C ATOM 1510 CG1 VAL A 94 -8.601 5.633 -6.820 1.00 0.00 C ATOM 1511 CG2 VAL A 94 -6.977 6.040 -8.683 1.00 0.00 C ATOM 0 H VAL A 94 -7.101 8.585 -9.076 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.408 7.204 -8.989 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.176 7.212 -6.916 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.899 4.921 -6.385 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.169 6.115 -6.024 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.285 5.107 -7.487 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.296 5.323 -8.224 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -7.618 5.526 -9.399 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.401 6.808 -9.199 1.00 0.00 H new ATOM 1521 N LEU A 95 -9.128 8.928 -6.163 1.00 0.00 N ATOM 1522 CA LEU A 95 -9.890 9.505 -5.061 1.00 0.00 C ATOM 1523 C LEU A 95 -11.041 10.359 -5.582 1.00 0.00 C ATOM 1524 O LEU A 95 -12.132 10.363 -5.013 1.00 0.00 O ATOM 1525 CB LEU A 95 -8.976 10.348 -4.170 1.00 0.00 C ATOM 1526 CG LEU A 95 -7.748 9.636 -3.602 1.00 0.00 C ATOM 1527 CD1 LEU A 95 -6.808 10.634 -2.945 1.00 0.00 C ATOM 1528 CD2 LEU A 95 -8.166 8.561 -2.609 1.00 0.00 C ATOM 0 H LEU A 95 -8.122 9.089 -6.110 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.307 8.687 -4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.638 11.211 -4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.566 10.731 -3.338 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.218 9.156 -4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.940 10.109 -2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.481 11.367 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.328 11.143 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.279 8.065 -2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.720 9.018 -1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.799 7.829 -3.110 1.00 0.00 H new ATOM 1540 N SER A 96 -10.790 11.081 -6.669 1.00 0.00 N ATOM 1541 CA SER A 96 -11.804 11.941 -7.267 1.00 0.00 C ATOM 1542 C SER A 96 -12.933 11.111 -7.871 1.00 0.00 C ATOM 1543 O SER A 96 -14.095 11.518 -7.855 1.00 0.00 O ATOM 1544 CB SER A 96 -11.179 12.832 -8.342 1.00 0.00 C ATOM 1545 OG SER A 96 -12.170 13.587 -9.018 1.00 0.00 O ATOM 0 H SER A 96 -9.893 11.087 -7.154 1.00 0.00 H new ATOM 0 HA SER A 96 -12.220 12.571 -6.481 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.454 13.505 -7.885 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.635 12.216 -9.058 1.00 0.00 H new ATOM 0 HG SER A 96 -11.745 14.149 -9.699 1.00 0.00 H new ATOM 1551 N ARG A 97 -12.581 9.945 -8.404 1.00 0.00 N ATOM 1552 CA ARG A 97 -13.563 9.057 -9.015 1.00 0.00 C ATOM 1553 C ARG A 97 -14.382 8.336 -7.949 1.00 0.00 C ATOM 1554 O ARG A 97 -15.612 8.356 -7.976 1.00 0.00 O ATOM 1555 CB ARG A 97 -12.867 8.036 -9.917 1.00 0.00 C ATOM 1556 CG ARG A 97 -11.866 8.654 -10.879 1.00 0.00 C ATOM 1557 CD ARG A 97 -11.737 7.834 -12.153 1.00 0.00 C ATOM 1558 NE ARG A 97 -11.115 6.536 -11.908 1.00 0.00 N ATOM 1559 CZ ARG A 97 -11.206 5.508 -12.745 1.00 0.00 C ATOM 1560 NH1 ARG A 97 -11.888 5.627 -13.875 1.00 0.00 N ATOM 1561 NH2 ARG A 97 -10.612 4.358 -12.452 1.00 0.00 N ATOM 0 H ARG A 97 -11.624 9.594 -8.425 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.239 9.663 -9.618 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -12.354 7.304 -9.294 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -13.621 7.496 -10.489 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.178 9.668 -11.128 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -10.893 8.730 -10.394 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -12.724 7.686 -12.590 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -11.145 8.388 -12.882 1.00 0.00 H new ATOM 0 HE ARG A 97 -10.582 6.412 -11.048 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -12.345 6.510 -14.104 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -11.956 4.836 -14.515 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -10.085 4.263 -11.584 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -10.682 3.569 -13.095 1.00 0.00 H new ATOM 1575 N LYS A 98 -13.691 7.699 -7.010 1.00 0.00 N ATOM 1576 CA LYS A 98 -14.352 6.971 -5.933 1.00 0.00 C ATOM 1577 C LYS A 98 -15.138 7.923 -5.036 1.00 0.00 C ATOM 1578 O LYS A 98 -16.366 7.863 -4.975 1.00 0.00 O ATOM 1579 CB LYS A 98 -13.323 6.202 -5.102 1.00 0.00 C ATOM 1580 CG LYS A 98 -12.544 5.171 -5.900 1.00 0.00 C ATOM 1581 CD LYS A 98 -13.321 3.874 -6.043 1.00 0.00 C ATOM 1582 CE LYS A 98 -12.800 3.037 -7.202 1.00 0.00 C ATOM 1583 NZ LYS A 98 -13.607 1.801 -7.400 1.00 0.00 N ATOM 0 H LYS A 98 -12.672 7.672 -6.973 1.00 0.00 H new ATOM 0 HA LYS A 98 -15.049 6.263 -6.381 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -12.623 6.911 -4.659 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.834 5.702 -4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -12.316 5.571 -6.888 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.591 4.973 -5.409 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -13.249 3.302 -5.118 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.377 4.096 -6.199 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.816 3.632 -8.115 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.761 2.766 -7.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.220 1.258 -8.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -13.571 1.221 -6.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -14.594 2.059 -7.603 1.00 0.00 H new ATOM 1597 N LEU A 99 -14.422 8.801 -4.343 1.00 0.00 N ATOM 1598 CA LEU A 99 -15.052 9.767 -3.450 1.00 0.00 C ATOM 1599 C LEU A 99 -15.908 10.756 -4.235 1.00 0.00 C ATOM 1600 O LEU A 99 -15.418 11.785 -4.698 1.00 0.00 O ATOM 1601 CB LEU A 99 -13.988 10.520 -2.649 1.00 0.00 C ATOM 1602 CG LEU A 99 -12.971 9.655 -1.905 1.00 0.00 C ATOM 1603 CD1 LEU A 99 -11.722 10.459 -1.580 1.00 0.00 C ATOM 1604 CD2 LEU A 99 -13.584 9.083 -0.635 1.00 0.00 C ATOM 0 H LEU A 99 -13.405 8.864 -4.382 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.698 9.222 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -13.447 11.177 -3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.492 11.158 -1.923 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.686 8.826 -2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -11.010 9.826 -1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -11.270 10.819 -2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -11.989 11.309 -0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -12.845 8.470 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -13.898 9.898 0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.448 8.470 -0.892 1.00 0.00 H new ATOM 1616 N ASN A 100 -17.191 10.437 -4.377 1.00 0.00 N ATOM 1617 CA ASN A 100 -18.116 11.299 -5.104 1.00 0.00 C ATOM 1618 C ASN A 100 -18.489 12.522 -4.272 1.00 0.00 C ATOM 1619 O ASN A 100 -18.226 13.657 -4.668 1.00 0.00 O ATOM 1620 CB ASN A 100 -19.379 10.521 -5.482 1.00 0.00 C ATOM 1621 CG ASN A 100 -19.204 9.720 -6.758 1.00 0.00 C ATOM 1622 OD1 ASN A 100 -19.047 10.283 -7.841 1.00 0.00 O ATOM 1623 ND2 ASN A 100 -19.231 8.398 -6.634 1.00 0.00 N ATOM 0 H ASN A 100 -17.613 9.589 -3.999 1.00 0.00 H new ATOM 0 HA ASN A 100 -17.619 11.638 -6.013 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -19.645 9.848 -4.667 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -20.209 11.217 -5.604 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -19.119 7.806 -7.457 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -19.364 7.975 -5.716 1.00 0.00 H new TER 1630 ASN A 100