USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 962 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 117 ASN : amide:sc= 0.196 K(o=1.1,f=-0.75!) USER MOD Set 1.2: A 120 SER OG : rot 4:sc= 0.925 USER MOD Set 2.1: A 45 HIS : no HD1:sc= 0 X(o=0.8,f=0.8) USER MOD Set 2.2: A 115 SER OG : rot 139:sc= 0.801 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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -2.42! C(o=-2.4!,f=-2.7!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0496 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -153:sc= -0.273 (180deg=-0.941) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 38 MET CE :methyl -137:sc= -0.485 (180deg=-3.47!) USER MOD Single : A 39 TYR OH : rot -25:sc= -0.216 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0538 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 159:sc= -0.107 (180deg=-0.587) USER MOD Single : A 56 GLN : amide:sc= -6.05! C(o=-6.1!,f=-5.2!) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.044 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.205 X(o=-0.21,f=0) USER MOD Single : A 71 CYS SG : rot -85:sc= -2.3 USER MOD Single : A 76 SER OG : rot -38:sc= -0.332 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -59:sc= 0.143 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 159:sc= -0.0265 (180deg=-0.287) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= 0.147 X(o=0.15,f=-0.19) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -47:sc= 1.38 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 180:sc= -0.101 USER MOD Single : A 95 CYS SG : rot 72:sc= -1.37! USER MOD Single : A 98 GLN : amide:sc= -1.48 K(o=-1.5,f=-0.15) USER MOD Single : A 105 MET CE :methyl 180:sc= -0.313 (180deg=-0.313) USER MOD Single : A 110 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.316) USER MOD Single : A 111 THR OG1 : rot 78:sc= 0.979 USER MOD Single : A 113 GLN : amide:sc= -1.48 K(o=-1.5,f=-0.76) USER MOD Single : A 116 SER OG : rot -29:sc= 1.16 USER MOD Single : A 119 ASN : amide:sc= -2.22 K(o=-2.2,f=-1.3) USER MOD Single : A 123 SER OG : rot -111:sc= 0.209 USER MOD Single : A 124 SER OG : rot 180:sc= -0.0452 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.539 -23.709 -3.444 1.00 0.00 N ATOM 2 CA GLY A 1 -10.788 -23.116 -3.004 1.00 0.00 C ATOM 3 C GLY A 1 -11.748 -22.869 -4.152 1.00 0.00 C ATOM 4 O GLY A 1 -11.529 -21.977 -4.971 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.917 -23.858 -2.624 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.731 -24.622 -3.903 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.072 -23.072 -4.121 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.261 -23.772 -2.274 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.581 -22.173 -2.498 1.00 0.00 H new ATOM 8 N SER A 2 -12.813 -23.661 -4.212 1.00 0.00 N ATOM 9 CA SER A 2 -13.806 -23.527 -5.271 1.00 0.00 C ATOM 10 C SER A 2 -15.214 -23.448 -4.689 1.00 0.00 C ATOM 11 O SER A 2 -15.537 -24.137 -3.721 1.00 0.00 O ATOM 12 CB SER A 2 -13.709 -24.705 -6.242 1.00 0.00 C ATOM 13 OG SER A 2 -14.100 -24.322 -7.549 1.00 0.00 O ATOM 0 H SER A 2 -13.011 -24.402 -3.540 1.00 0.00 H new ATOM 0 HA SER A 2 -13.602 -22.602 -5.811 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.686 -25.082 -6.261 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.343 -25.521 -5.894 1.00 0.00 H new ATOM 0 HG SER A 2 -14.028 -25.092 -8.151 1.00 0.00 H new ATOM 19 N SER A 3 -16.048 -22.603 -5.285 1.00 0.00 N ATOM 20 CA SER A 3 -17.421 -22.430 -4.824 1.00 0.00 C ATOM 21 C SER A 3 -17.451 -21.966 -3.371 1.00 0.00 C ATOM 22 O SER A 3 -18.409 -22.227 -2.645 1.00 0.00 O ATOM 23 CB SER A 3 -18.199 -23.739 -4.970 1.00 0.00 C ATOM 24 OG SER A 3 -18.332 -24.104 -6.333 1.00 0.00 O ATOM 0 H SER A 3 -15.797 -22.027 -6.089 1.00 0.00 H new ATOM 0 HA SER A 3 -17.892 -21.665 -5.441 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.687 -24.533 -4.426 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.186 -23.631 -4.521 1.00 0.00 H new ATOM 0 HG SER A 3 -18.831 -24.945 -6.399 1.00 0.00 H new ATOM 30 N GLY A 4 -16.395 -21.275 -2.955 1.00 0.00 N ATOM 31 CA GLY A 4 -16.319 -20.784 -1.591 1.00 0.00 C ATOM 32 C GLY A 4 -15.313 -19.661 -1.433 1.00 0.00 C ATOM 33 O GLY A 4 -15.689 -18.502 -1.263 1.00 0.00 O ATOM 0 H GLY A 4 -15.590 -21.046 -3.538 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.303 -20.433 -1.280 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.049 -21.605 -0.927 1.00 0.00 H new ATOM 37 N SER A 5 -14.031 -20.006 -1.488 1.00 0.00 N ATOM 38 CA SER A 5 -12.967 -19.018 -1.345 1.00 0.00 C ATOM 39 C SER A 5 -11.939 -19.161 -2.462 1.00 0.00 C ATOM 40 O SER A 5 -10.927 -19.844 -2.305 1.00 0.00 O ATOM 41 CB SER A 5 -12.284 -19.168 0.016 1.00 0.00 C ATOM 42 OG SER A 5 -11.709 -17.943 0.436 1.00 0.00 O ATOM 0 H SER A 5 -13.703 -20.961 -1.630 1.00 0.00 H new ATOM 0 HA SER A 5 -13.414 -18.026 -1.412 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.010 -19.505 0.756 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.511 -19.934 -0.044 1.00 0.00 H new ATOM 0 HG SER A 5 -11.280 -18.065 1.309 1.00 0.00 H new ATOM 48 N SER A 6 -12.206 -18.512 -3.590 1.00 0.00 N ATOM 49 CA SER A 6 -11.306 -18.569 -4.737 1.00 0.00 C ATOM 50 C SER A 6 -9.850 -18.479 -4.290 1.00 0.00 C ATOM 51 O SER A 6 -9.040 -19.354 -4.594 1.00 0.00 O ATOM 52 CB SER A 6 -11.621 -17.436 -5.716 1.00 0.00 C ATOM 53 OG SER A 6 -12.871 -17.644 -6.350 1.00 0.00 O ATOM 0 H SER A 6 -13.038 -17.940 -3.735 1.00 0.00 H new ATOM 0 HA SER A 6 -11.456 -19.525 -5.238 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.633 -16.484 -5.184 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.834 -17.371 -6.468 1.00 0.00 H new ATOM 0 HG SER A 6 -13.050 -16.906 -6.969 1.00 0.00 H new ATOM 59 N GLY A 7 -9.525 -17.414 -3.564 1.00 0.00 N ATOM 60 CA GLY A 7 -8.167 -17.228 -3.086 1.00 0.00 C ATOM 61 C GLY A 7 -7.271 -16.581 -4.123 1.00 0.00 C ATOM 62 O GLY A 7 -6.446 -17.250 -4.745 1.00 0.00 O ATOM 0 H GLY A 7 -10.178 -16.677 -3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.183 -16.611 -2.188 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.750 -18.194 -2.802 1.00 0.00 H new ATOM 66 N ASP A 8 -7.433 -15.276 -4.311 1.00 0.00 N ATOM 67 CA ASP A 8 -6.633 -14.538 -5.281 1.00 0.00 C ATOM 68 C ASP A 8 -6.332 -13.129 -4.778 1.00 0.00 C ATOM 69 O ASP A 8 -6.966 -12.646 -3.840 1.00 0.00 O ATOM 70 CB ASP A 8 -7.357 -14.468 -6.626 1.00 0.00 C ATOM 71 CG ASP A 8 -8.334 -13.311 -6.698 1.00 0.00 C ATOM 72 OD1 ASP A 8 -8.853 -12.906 -5.638 1.00 0.00 O ATOM 73 OD2 ASP A 8 -8.580 -12.811 -7.816 1.00 0.00 O ATOM 0 H ASP A 8 -8.111 -14.707 -3.804 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.689 -15.067 -5.413 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.623 -14.370 -7.426 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.892 -15.402 -6.797 1.00 0.00 H new ATOM 78 N ALA A 9 -5.361 -12.476 -5.407 1.00 0.00 N ATOM 79 CA ALA A 9 -4.978 -11.123 -5.024 1.00 0.00 C ATOM 80 C ALA A 9 -6.164 -10.170 -5.114 1.00 0.00 C ATOM 81 O ALA A 9 -6.666 -9.889 -6.202 1.00 0.00 O ATOM 82 CB ALA A 9 -3.835 -10.630 -5.900 1.00 0.00 C ATOM 0 H ALA A 9 -4.825 -12.862 -6.184 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.643 -11.147 -3.987 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.559 -9.618 -5.603 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.975 -11.290 -5.782 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.151 -10.628 -6.943 1.00 0.00 H new ATOM 88 N ALA A 10 -6.609 -9.676 -3.963 1.00 0.00 N ATOM 89 CA ALA A 10 -7.737 -8.753 -3.913 1.00 0.00 C ATOM 90 C ALA A 10 -7.589 -7.648 -4.954 1.00 0.00 C ATOM 91 O ALA A 10 -8.538 -7.323 -5.668 1.00 0.00 O ATOM 92 CB ALA A 10 -7.867 -8.154 -2.520 1.00 0.00 C ATOM 0 H ALA A 10 -6.206 -9.899 -3.053 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.644 -9.313 -4.142 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.713 -7.467 -2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.027 -8.952 -1.795 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.954 -7.614 -2.270 1.00 0.00 H new ATOM 98 N LYS A 11 -6.394 -7.074 -5.035 1.00 0.00 N ATOM 99 CA LYS A 11 -6.121 -6.006 -5.989 1.00 0.00 C ATOM 100 C LYS A 11 -4.628 -5.911 -6.287 1.00 0.00 C ATOM 101 O LYS A 11 -3.806 -6.483 -5.572 1.00 0.00 O ATOM 102 CB LYS A 11 -6.629 -4.668 -5.448 1.00 0.00 C ATOM 103 CG LYS A 11 -6.772 -3.595 -6.513 1.00 0.00 C ATOM 104 CD LYS A 11 -7.747 -2.510 -6.086 1.00 0.00 C ATOM 105 CE LYS A 11 -7.474 -1.200 -6.809 1.00 0.00 C ATOM 106 NZ LYS A 11 -7.923 -1.246 -8.228 1.00 0.00 N ATOM 0 H LYS A 11 -5.598 -7.331 -4.451 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.645 -6.239 -6.916 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.596 -4.823 -4.969 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.944 -4.314 -4.677 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.798 -3.150 -6.716 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.115 -4.048 -7.443 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.767 -2.835 -6.291 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.672 -2.355 -5.010 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.984 -0.387 -6.293 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.407 -0.981 -6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.720 -0.335 -8.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.418 -2.005 -8.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.946 -1.430 -8.263 1.00 0.00 H new ATOM 120 N GLU A 12 -4.285 -5.183 -7.345 1.00 0.00 N ATOM 121 CA GLU A 12 -2.890 -5.014 -7.736 1.00 0.00 C ATOM 122 C GLU A 12 -2.732 -3.832 -8.688 1.00 0.00 C ATOM 123 O GLU A 12 -3.699 -3.377 -9.297 1.00 0.00 O ATOM 124 CB GLU A 12 -2.364 -6.290 -8.397 1.00 0.00 C ATOM 125 CG GLU A 12 -3.058 -6.628 -9.705 1.00 0.00 C ATOM 126 CD GLU A 12 -2.713 -8.018 -10.206 1.00 0.00 C ATOM 127 OE1 GLU A 12 -3.280 -8.996 -9.675 1.00 0.00 O ATOM 128 OE2 GLU A 12 -1.878 -8.127 -11.127 1.00 0.00 O ATOM 0 H GLU A 12 -4.953 -4.701 -7.946 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.308 -4.814 -6.836 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.295 -6.180 -8.580 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.485 -7.124 -7.705 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.137 -6.552 -9.570 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.779 -5.894 -10.461 1.00 0.00 H new ATOM 135 N GLY A 13 -1.503 -3.340 -8.812 1.00 0.00 N ATOM 136 CA GLY A 13 -1.239 -2.215 -9.691 1.00 0.00 C ATOM 137 C GLY A 13 -0.064 -1.379 -9.225 1.00 0.00 C ATOM 138 O GLY A 13 0.327 -1.440 -8.059 1.00 0.00 O ATOM 0 H GLY A 13 -0.685 -3.700 -8.320 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.043 -2.583 -10.698 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.128 -1.587 -9.749 1.00 0.00 H new ATOM 142 N TRP A 14 0.501 -0.596 -10.137 1.00 0.00 N ATOM 143 CA TRP A 14 1.641 0.255 -9.813 1.00 0.00 C ATOM 144 C TRP A 14 1.228 1.383 -8.875 1.00 0.00 C ATOM 145 O TRP A 14 0.286 2.125 -9.156 1.00 0.00 O ATOM 146 CB TRP A 14 2.249 0.835 -11.091 1.00 0.00 C ATOM 147 CG TRP A 14 2.926 -0.193 -11.946 1.00 0.00 C ATOM 148 CD1 TRP A 14 2.340 -0.988 -12.890 1.00 0.00 C ATOM 149 CD2 TRP A 14 4.315 -0.539 -11.935 1.00 0.00 C ATOM 150 NE1 TRP A 14 3.282 -1.807 -13.465 1.00 0.00 N ATOM 151 CE2 TRP A 14 4.501 -1.550 -12.898 1.00 0.00 C ATOM 152 CE3 TRP A 14 5.420 -0.091 -11.206 1.00 0.00 C ATOM 153 CZ2 TRP A 14 5.747 -2.119 -13.148 1.00 0.00 C ATOM 154 CZ3 TRP A 14 6.656 -0.657 -11.456 1.00 0.00 C ATOM 155 CH2 TRP A 14 6.812 -1.661 -12.420 1.00 0.00 C ATOM 0 H TRP A 14 0.189 -0.532 -11.106 1.00 0.00 H new ATOM 0 HA TRP A 14 2.389 -0.357 -9.308 1.00 0.00 H new ATOM 0 HB2 TRP A 14 1.464 1.320 -11.671 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.970 1.607 -10.824 1.00 0.00 H new ATOM 0 HD1 TRP A 14 1.291 -0.975 -13.147 1.00 0.00 H new ATOM 0 HE1 TRP A 14 3.102 -2.495 -14.196 1.00 0.00 H new ATOM 0 HE3 TRP A 14 5.310 0.683 -10.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.869 -2.894 -13.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.517 -0.319 -10.898 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.792 -2.082 -12.592 1.00 0.00 H new ATOM 166 N LEU A 15 1.937 1.508 -7.759 1.00 0.00 N ATOM 167 CA LEU A 15 1.644 2.548 -6.778 1.00 0.00 C ATOM 168 C LEU A 15 2.913 2.988 -6.055 1.00 0.00 C ATOM 169 O LEU A 15 3.862 2.215 -5.918 1.00 0.00 O ATOM 170 CB LEU A 15 0.615 2.044 -5.764 1.00 0.00 C ATOM 171 CG LEU A 15 -0.688 1.497 -6.347 1.00 0.00 C ATOM 172 CD1 LEU A 15 -1.548 0.886 -5.251 1.00 0.00 C ATOM 173 CD2 LEU A 15 -1.450 2.594 -7.075 1.00 0.00 C ATOM 0 H LEU A 15 2.719 0.902 -7.510 1.00 0.00 H new ATOM 0 HA LEU A 15 1.233 3.407 -7.308 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.079 1.261 -5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.371 2.862 -5.086 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.441 0.716 -7.066 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.471 0.502 -5.685 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.004 0.070 -4.774 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.785 1.647 -4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.374 2.186 -7.483 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.685 3.398 -6.378 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.837 2.986 -7.887 1.00 0.00 H new ATOM 185 N HIS A 16 2.923 4.234 -5.592 1.00 0.00 N ATOM 186 CA HIS A 16 4.074 4.777 -4.881 1.00 0.00 C ATOM 187 C HIS A 16 3.985 4.470 -3.389 1.00 0.00 C ATOM 188 O HIS A 16 3.169 5.051 -2.673 1.00 0.00 O ATOM 189 CB HIS A 16 4.170 6.287 -5.098 1.00 0.00 C ATOM 190 CG HIS A 16 4.381 6.674 -6.529 1.00 0.00 C ATOM 191 ND1 HIS A 16 5.540 6.392 -7.221 1.00 0.00 N ATOM 192 CD2 HIS A 16 3.574 7.325 -7.399 1.00 0.00 C ATOM 193 CE1 HIS A 16 5.436 6.853 -8.455 1.00 0.00 C ATOM 194 NE2 HIS A 16 4.252 7.423 -8.589 1.00 0.00 N ATOM 0 H HIS A 16 2.146 4.887 -5.697 1.00 0.00 H new ATOM 0 HA HIS A 16 4.971 4.303 -5.279 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.256 6.757 -4.734 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.991 6.680 -4.499 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.581 7.698 -7.195 1.00 0.00 H new ATOM 0 HE1 HIS A 16 6.191 6.777 -9.224 1.00 0.00 H new ATOM 0 HE2 HIS A 16 3.899 7.864 -9.438 1.00 0.00 H new ATOM 203 N PHE A 17 4.828 3.552 -2.927 1.00 0.00 N ATOM 204 CA PHE A 17 4.843 3.166 -1.521 1.00 0.00 C ATOM 205 C PHE A 17 5.914 3.939 -0.756 1.00 0.00 C ATOM 206 O PHE A 17 7.109 3.706 -0.934 1.00 0.00 O ATOM 207 CB PHE A 17 5.089 1.662 -1.385 1.00 0.00 C ATOM 208 CG PHE A 17 5.607 1.259 -0.034 1.00 0.00 C ATOM 209 CD1 PHE A 17 4.735 1.046 1.022 1.00 0.00 C ATOM 210 CD2 PHE A 17 6.966 1.094 0.180 1.00 0.00 C ATOM 211 CE1 PHE A 17 5.209 0.674 2.266 1.00 0.00 C ATOM 212 CE2 PHE A 17 7.445 0.723 1.422 1.00 0.00 C ATOM 213 CZ PHE A 17 6.566 0.514 2.467 1.00 0.00 C ATOM 0 H PHE A 17 5.510 3.062 -3.506 1.00 0.00 H new ATOM 0 HA PHE A 17 3.870 3.408 -1.094 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.158 1.130 -1.582 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.802 1.348 -2.147 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.673 1.172 0.871 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.658 1.257 -0.633 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.519 0.509 3.080 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.506 0.596 1.576 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.939 0.226 3.439 1.00 0.00 H new ATOM 223 N ARG A 18 5.475 4.861 0.095 1.00 0.00 N ATOM 224 CA ARG A 18 6.395 5.670 0.886 1.00 0.00 C ATOM 225 C ARG A 18 6.099 5.529 2.376 1.00 0.00 C ATOM 226 O ARG A 18 5.222 6.196 2.926 1.00 0.00 O ATOM 227 CB ARG A 18 6.299 7.140 0.473 1.00 0.00 C ATOM 228 CG ARG A 18 7.279 8.043 1.203 1.00 0.00 C ATOM 229 CD ARG A 18 7.000 9.511 0.922 1.00 0.00 C ATOM 230 NE ARG A 18 7.379 10.365 2.045 1.00 0.00 N ATOM 231 CZ ARG A 18 7.681 11.652 1.920 1.00 0.00 C ATOM 232 NH1 ARG A 18 7.649 12.232 0.728 1.00 0.00 N ATOM 233 NH2 ARG A 18 8.017 12.363 2.989 1.00 0.00 N ATOM 0 H ARG A 18 4.489 5.066 0.254 1.00 0.00 H new ATOM 0 HA ARG A 18 7.407 5.312 0.699 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.475 7.219 -0.600 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.285 7.495 0.657 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.216 7.858 2.275 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.297 7.800 0.897 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.547 9.820 0.031 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.940 9.644 0.707 1.00 0.00 H new ATOM 0 HE ARG A 18 7.414 9.950 2.976 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.392 11.689 -0.096 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.882 13.221 0.636 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.043 11.921 3.908 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.249 13.352 2.892 1.00 0.00 H new ATOM 247 N PRO A 19 6.848 4.641 3.046 1.00 0.00 N ATOM 248 CA PRO A 19 6.685 4.391 4.482 1.00 0.00 C ATOM 249 C PRO A 19 7.148 5.570 5.331 1.00 0.00 C ATOM 250 O PRO A 19 8.144 6.222 5.016 1.00 0.00 O ATOM 251 CB PRO A 19 7.572 3.170 4.733 1.00 0.00 C ATOM 252 CG PRO A 19 8.599 3.220 3.654 1.00 0.00 C ATOM 253 CD PRO A 19 7.911 3.812 2.455 1.00 0.00 C ATOM 0 HA PRO A 19 5.640 4.238 4.753 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.032 3.211 5.720 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.996 2.246 4.689 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.452 3.829 3.955 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.981 2.224 3.432 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.596 4.407 1.852 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.503 3.039 1.804 1.00 0.00 H new ATOM 261 N LEU A 20 6.420 5.838 6.409 1.00 0.00 N ATOM 262 CA LEU A 20 6.757 6.939 7.306 1.00 0.00 C ATOM 263 C LEU A 20 7.875 6.539 8.262 1.00 0.00 C ATOM 264 O LEU A 20 8.748 7.345 8.585 1.00 0.00 O ATOM 265 CB LEU A 20 5.523 7.373 8.098 1.00 0.00 C ATOM 266 CG LEU A 20 4.420 8.066 7.297 1.00 0.00 C ATOM 267 CD1 LEU A 20 3.236 8.397 8.194 1.00 0.00 C ATOM 268 CD2 LEU A 20 4.955 9.326 6.632 1.00 0.00 C ATOM 0 H LEU A 20 5.593 5.309 6.684 1.00 0.00 H new ATOM 0 HA LEU A 20 7.105 7.776 6.700 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.097 6.493 8.579 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.844 8.046 8.893 1.00 0.00 H new ATOM 0 HG LEU A 20 4.080 7.384 6.518 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.461 8.890 7.607 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.837 7.478 8.623 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.561 9.061 8.995 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.156 9.806 6.066 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.322 10.012 7.395 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.770 9.063 5.958 1.00 0.00 H new ATOM 280 N VAL A 21 7.844 5.289 8.711 1.00 0.00 N ATOM 281 CA VAL A 21 8.857 4.780 9.629 1.00 0.00 C ATOM 282 C VAL A 21 8.658 3.293 9.898 1.00 0.00 C ATOM 283 O VAL A 21 7.535 2.789 9.862 1.00 0.00 O ATOM 284 CB VAL A 21 8.834 5.541 10.968 1.00 0.00 C ATOM 285 CG1 VAL A 21 7.597 5.172 11.771 1.00 0.00 C ATOM 286 CG2 VAL A 21 10.100 5.258 11.763 1.00 0.00 C ATOM 0 H VAL A 21 7.128 4.609 8.454 1.00 0.00 H new ATOM 0 HA VAL A 21 9.824 4.933 9.150 1.00 0.00 H new ATOM 0 HB VAL A 21 8.795 6.610 10.758 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.598 5.719 12.714 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.704 5.431 11.202 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.601 4.101 11.974 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.067 5.804 12.706 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.172 4.189 11.964 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.969 5.578 11.189 1.00 0.00 H new ATOM 296 N THR A 22 9.756 2.594 10.170 1.00 0.00 N ATOM 297 CA THR A 22 9.702 1.164 10.445 1.00 0.00 C ATOM 298 C THR A 22 10.456 0.822 11.725 1.00 0.00 C ATOM 299 O THR A 22 9.969 0.057 12.558 1.00 0.00 O ATOM 300 CB THR A 22 10.292 0.345 9.281 1.00 0.00 C ATOM 301 OG1 THR A 22 11.674 0.674 9.102 1.00 0.00 O ATOM 302 CG2 THR A 22 9.531 0.612 7.992 1.00 0.00 C ATOM 0 H THR A 22 10.693 2.995 10.206 1.00 0.00 H new ATOM 0 HA THR A 22 8.650 0.905 10.565 1.00 0.00 H new ATOM 0 HB THR A 22 10.200 -0.713 9.526 1.00 0.00 H new ATOM 0 HG1 THR A 22 12.042 0.148 8.362 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.965 0.023 7.184 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.485 0.333 8.122 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.596 1.671 7.744 1.00 0.00 H new ATOM 310 N ASP A 23 11.646 1.393 11.876 1.00 0.00 N ATOM 311 CA ASP A 23 12.467 1.150 13.057 1.00 0.00 C ATOM 312 C ASP A 23 12.024 2.034 14.218 1.00 0.00 C ATOM 313 O ASP A 23 12.850 2.620 14.917 1.00 0.00 O ATOM 314 CB ASP A 23 13.941 1.403 12.740 1.00 0.00 C ATOM 315 CG ASP A 23 14.496 0.414 11.734 1.00 0.00 C ATOM 316 OD1 ASP A 23 14.500 -0.798 12.035 1.00 0.00 O ATOM 317 OD2 ASP A 23 14.927 0.851 10.646 1.00 0.00 O ATOM 0 H ASP A 23 12.064 2.027 11.195 1.00 0.00 H new ATOM 0 HA ASP A 23 12.340 0.108 13.349 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.057 2.415 12.352 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.522 1.345 13.660 1.00 0.00 H new ATOM 322 N LYS A 24 10.713 2.127 14.417 1.00 0.00 N ATOM 323 CA LYS A 24 10.159 2.940 15.494 1.00 0.00 C ATOM 324 C LYS A 24 10.932 4.246 15.643 1.00 0.00 C ATOM 325 O LYS A 24 11.142 4.731 16.754 1.00 0.00 O ATOM 326 CB LYS A 24 10.188 2.164 16.813 1.00 0.00 C ATOM 327 CG LYS A 24 9.392 0.870 16.775 1.00 0.00 C ATOM 328 CD LYS A 24 10.222 -0.278 16.225 1.00 0.00 C ATOM 329 CE LYS A 24 9.442 -1.584 16.238 1.00 0.00 C ATOM 330 NZ LYS A 24 8.436 -1.640 15.142 1.00 0.00 N ATOM 0 H LYS A 24 10.015 1.650 13.847 1.00 0.00 H new ATOM 0 HA LYS A 24 9.125 3.177 15.242 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.223 1.937 17.069 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.796 2.799 17.607 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.048 0.623 17.780 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.503 1.006 16.159 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.533 -0.048 15.206 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.130 -0.389 16.818 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.133 -2.421 16.139 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.939 -1.697 17.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.926 -2.545 15.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.761 -0.856 15.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.918 -1.558 14.224 1.00 0.00 H new ATOM 344 N GLY A 25 11.351 4.813 14.516 1.00 0.00 N ATOM 345 CA GLY A 25 12.095 6.059 14.544 1.00 0.00 C ATOM 346 C GLY A 25 13.466 5.901 15.170 1.00 0.00 C ATOM 347 O GLY A 25 13.717 6.399 16.268 1.00 0.00 O ATOM 0 H GLY A 25 11.189 4.432 13.584 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.204 6.436 13.527 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.528 6.805 15.101 1.00 0.00 H new ATOM 351 N LYS A 26 14.357 5.206 14.472 1.00 0.00 N ATOM 352 CA LYS A 26 15.711 4.983 14.965 1.00 0.00 C ATOM 353 C LYS A 26 16.679 6.008 14.381 1.00 0.00 C ATOM 354 O LYS A 26 16.476 6.505 13.273 1.00 0.00 O ATOM 355 CB LYS A 26 16.177 3.568 14.615 1.00 0.00 C ATOM 356 CG LYS A 26 17.163 2.988 15.614 1.00 0.00 C ATOM 357 CD LYS A 26 16.458 2.167 16.680 1.00 0.00 C ATOM 358 CE LYS A 26 16.186 2.992 17.929 1.00 0.00 C ATOM 359 NZ LYS A 26 14.933 2.567 18.612 1.00 0.00 N ATOM 0 H LYS A 26 14.166 4.787 13.562 1.00 0.00 H new ATOM 0 HA LYS A 26 15.699 5.097 16.049 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.308 2.913 14.553 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.638 3.580 13.627 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.887 2.363 15.091 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.722 3.796 16.086 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.518 1.784 16.283 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.070 1.303 16.939 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.025 2.896 18.618 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.113 4.046 17.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.783 3.153 19.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.128 2.682 17.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.012 1.568 18.892 1.00 0.00 H new ATOM 373 N ARG A 27 17.730 6.317 15.132 1.00 0.00 N ATOM 374 CA ARG A 27 18.729 7.282 14.688 1.00 0.00 C ATOM 375 C ARG A 27 19.769 6.615 13.793 1.00 0.00 C ATOM 376 O ARG A 27 20.973 6.750 14.014 1.00 0.00 O ATOM 377 CB ARG A 27 19.416 7.928 15.892 1.00 0.00 C ATOM 378 CG ARG A 27 20.104 6.930 16.809 1.00 0.00 C ATOM 379 CD ARG A 27 20.820 7.627 17.955 1.00 0.00 C ATOM 380 NE ARG A 27 21.775 6.746 18.621 1.00 0.00 N ATOM 381 CZ ARG A 27 21.431 5.850 19.540 1.00 0.00 C ATOM 382 NH1 ARG A 27 20.162 5.718 19.900 1.00 0.00 N ATOM 383 NH2 ARG A 27 22.358 5.084 20.101 1.00 0.00 N ATOM 0 H ARG A 27 17.912 5.913 16.051 1.00 0.00 H new ATOM 0 HA ARG A 27 18.220 8.054 14.111 1.00 0.00 H new ATOM 0 HB2 ARG A 27 20.152 8.649 15.536 1.00 0.00 H new ATOM 0 HB3 ARG A 27 18.676 8.485 16.466 1.00 0.00 H new ATOM 0 HG2 ARG A 27 19.367 6.234 17.209 1.00 0.00 H new ATOM 0 HG3 ARG A 27 20.820 6.341 16.236 1.00 0.00 H new ATOM 0 HD2 ARG A 27 21.341 8.506 17.576 1.00 0.00 H new ATOM 0 HD3 ARG A 27 20.086 7.980 18.680 1.00 0.00 H new ATOM 0 HE ARG A 27 22.760 6.822 18.367 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.447 6.305 19.471 1.00 0.00 H new ATOM 0 HH12 ARG A 27 19.901 5.029 20.606 1.00 0.00 H new ATOM 0 HH21 ARG A 27 23.336 5.183 19.827 1.00 0.00 H new ATOM 0 HH22 ARG A 27 22.093 4.396 20.806 1.00 0.00 H new ATOM 397 N VAL A 28 19.297 5.894 12.781 1.00 0.00 N ATOM 398 CA VAL A 28 20.185 5.206 11.852 1.00 0.00 C ATOM 399 C VAL A 28 20.528 6.093 10.660 1.00 0.00 C ATOM 400 O VAL A 28 19.963 5.942 9.578 1.00 0.00 O ATOM 401 CB VAL A 28 19.557 3.897 11.339 1.00 0.00 C ATOM 402 CG1 VAL A 28 19.480 2.868 12.457 1.00 0.00 C ATOM 403 CG2 VAL A 28 18.179 4.162 10.752 1.00 0.00 C ATOM 0 H VAL A 28 18.304 5.771 12.584 1.00 0.00 H new ATOM 0 HA VAL A 28 21.097 4.972 12.402 1.00 0.00 H new ATOM 0 HB VAL A 28 20.192 3.494 10.550 1.00 0.00 H new ATOM 0 HG11 VAL A 28 19.034 1.950 12.076 1.00 0.00 H new ATOM 0 HG12 VAL A 28 20.483 2.657 12.827 1.00 0.00 H new ATOM 0 HG13 VAL A 28 18.868 3.259 13.270 1.00 0.00 H new ATOM 0 HG21 VAL A 28 17.750 3.226 10.394 1.00 0.00 H new ATOM 0 HG22 VAL A 28 17.532 4.588 11.519 1.00 0.00 H new ATOM 0 HG23 VAL A 28 18.266 4.862 9.921 1.00 0.00 H new ATOM 413 N GLY A 29 21.458 7.020 10.867 1.00 0.00 N ATOM 414 CA GLY A 29 21.861 7.918 9.800 1.00 0.00 C ATOM 415 C GLY A 29 21.090 9.223 9.820 1.00 0.00 C ATOM 416 O GLY A 29 21.655 10.282 10.092 1.00 0.00 O ATOM 0 H GLY A 29 21.940 7.165 11.754 1.00 0.00 H new ATOM 0 HA2 GLY A 29 22.927 8.128 9.889 1.00 0.00 H new ATOM 0 HA3 GLY A 29 21.712 7.426 8.839 1.00 0.00 H new ATOM 420 N GLY A 30 19.795 9.149 9.527 1.00 0.00 N ATOM 421 CA GLY A 30 18.968 10.341 9.516 1.00 0.00 C ATOM 422 C GLY A 30 18.775 10.900 8.120 1.00 0.00 C ATOM 423 O GLY A 30 19.170 12.031 7.837 1.00 0.00 O ATOM 0 H GLY A 30 19.304 8.285 9.297 1.00 0.00 H new ATOM 0 HA2 GLY A 30 17.995 10.108 9.949 1.00 0.00 H new ATOM 0 HA3 GLY A 30 19.424 11.102 10.149 1.00 0.00 H new ATOM 427 N SER A 31 18.167 10.105 7.245 1.00 0.00 N ATOM 428 CA SER A 31 17.928 10.525 5.869 1.00 0.00 C ATOM 429 C SER A 31 16.588 9.998 5.365 1.00 0.00 C ATOM 430 O SER A 31 16.195 8.873 5.677 1.00 0.00 O ATOM 431 CB SER A 31 19.057 10.035 4.960 1.00 0.00 C ATOM 432 OG SER A 31 20.272 10.703 5.251 1.00 0.00 O ATOM 0 H SER A 31 17.831 9.167 7.464 1.00 0.00 H new ATOM 0 HA SER A 31 17.901 11.614 5.847 1.00 0.00 H new ATOM 0 HB2 SER A 31 19.190 8.961 5.087 1.00 0.00 H new ATOM 0 HB3 SER A 31 18.787 10.202 3.917 1.00 0.00 H new ATOM 0 HG SER A 31 20.978 10.371 4.658 1.00 0.00 H new ATOM 438 N ILE A 32 15.893 10.817 4.584 1.00 0.00 N ATOM 439 CA ILE A 32 14.598 10.434 4.036 1.00 0.00 C ATOM 440 C ILE A 32 14.615 10.467 2.512 1.00 0.00 C ATOM 441 O ILE A 32 15.092 11.428 1.907 1.00 0.00 O ATOM 442 CB ILE A 32 13.475 11.356 4.546 1.00 0.00 C ATOM 443 CG1 ILE A 32 13.460 11.379 6.076 1.00 0.00 C ATOM 444 CG2 ILE A 32 12.128 10.900 4.004 1.00 0.00 C ATOM 445 CD1 ILE A 32 12.844 12.633 6.655 1.00 0.00 C ATOM 0 H ILE A 32 16.205 11.750 4.316 1.00 0.00 H new ATOM 0 HA ILE A 32 14.402 9.416 4.373 1.00 0.00 H new ATOM 0 HB ILE A 32 13.665 12.368 4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 32 12.908 10.512 6.439 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.482 11.283 6.443 1.00 0.00 H new ATOM 0 HG21 ILE A 32 11.344 11.562 4.373 1.00 0.00 H new ATOM 0 HG22 ILE A 32 12.145 10.930 2.915 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.929 9.881 4.335 1.00 0.00 H new ATOM 0 HD11 ILE A 32 12.867 12.581 7.743 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.409 13.503 6.322 1.00 0.00 H new ATOM 0 HD13 ILE A 32 11.811 12.720 6.318 1.00 0.00 H new ATOM 457 N ARG A 33 14.090 9.413 1.896 1.00 0.00 N ATOM 458 CA ARG A 33 14.044 9.321 0.442 1.00 0.00 C ATOM 459 C ARG A 33 12.634 9.593 -0.076 1.00 0.00 C ATOM 460 O ARG A 33 11.642 9.408 0.629 1.00 0.00 O ATOM 461 CB ARG A 33 14.510 7.939 -0.019 1.00 0.00 C ATOM 462 CG ARG A 33 16.010 7.847 -0.247 1.00 0.00 C ATOM 463 CD ARG A 33 16.352 6.783 -1.279 1.00 0.00 C ATOM 464 NE ARG A 33 15.756 7.071 -2.580 1.00 0.00 N ATOM 465 CZ ARG A 33 16.239 6.609 -3.728 1.00 0.00 C ATOM 466 NH1 ARG A 33 17.320 5.841 -3.735 1.00 0.00 N ATOM 467 NH2 ARG A 33 15.640 6.915 -4.872 1.00 0.00 N ATOM 0 H ARG A 33 13.690 8.610 2.382 1.00 0.00 H new ATOM 0 HA ARG A 33 14.715 10.077 0.035 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.218 7.199 0.726 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.994 7.681 -0.944 1.00 0.00 H new ATOM 0 HG2 ARG A 33 16.389 8.813 -0.580 1.00 0.00 H new ATOM 0 HG3 ARG A 33 16.509 7.616 0.694 1.00 0.00 H new ATOM 0 HD2 ARG A 33 17.435 6.714 -1.384 1.00 0.00 H new ATOM 0 HD3 ARG A 33 16.003 5.812 -0.928 1.00 0.00 H new ATOM 0 HE ARG A 33 14.923 7.659 -2.609 1.00 0.00 H new ATOM 0 HH11 ARG A 33 17.783 5.604 -2.858 1.00 0.00 H new ATOM 0 HH12 ARG A 33 17.689 5.488 -4.618 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.808 7.505 -4.870 1.00 0.00 H new ATOM 0 HH22 ARG A 33 16.011 6.560 -5.753 1.00 0.00 H new ATOM 481 N PRO A 34 12.543 10.042 -1.336 1.00 0.00 N ATOM 482 CA PRO A 34 11.260 10.349 -1.976 1.00 0.00 C ATOM 483 C PRO A 34 10.439 9.095 -2.259 1.00 0.00 C ATOM 484 O PRO A 34 10.935 7.976 -2.131 1.00 0.00 O ATOM 485 CB PRO A 34 11.670 11.027 -3.286 1.00 0.00 C ATOM 486 CG PRO A 34 13.035 10.503 -3.572 1.00 0.00 C ATOM 487 CD PRO A 34 13.685 10.285 -2.234 1.00 0.00 C ATOM 0 HA PRO A 34 10.625 10.967 -1.341 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.976 10.785 -4.091 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.676 12.112 -3.185 1.00 0.00 H new ATOM 0 HG2 PRO A 34 12.985 9.573 -4.137 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.607 11.211 -4.173 1.00 0.00 H new ATOM 0 HD2 PRO A 34 14.369 9.437 -2.253 1.00 0.00 H new ATOM 0 HD3 PRO A 34 14.264 11.154 -1.922 1.00 0.00 H new ATOM 495 N TRP A 35 9.184 9.291 -2.645 1.00 0.00 N ATOM 496 CA TRP A 35 8.295 8.175 -2.947 1.00 0.00 C ATOM 497 C TRP A 35 9.063 7.024 -3.588 1.00 0.00 C ATOM 498 O TRP A 35 10.069 7.237 -4.265 1.00 0.00 O ATOM 499 CB TRP A 35 7.168 8.630 -3.876 1.00 0.00 C ATOM 500 CG TRP A 35 6.160 9.510 -3.199 1.00 0.00 C ATOM 501 CD1 TRP A 35 6.175 10.874 -3.135 1.00 0.00 C ATOM 502 CD2 TRP A 35 4.991 9.085 -2.489 1.00 0.00 C ATOM 503 NE1 TRP A 35 5.085 11.323 -2.428 1.00 0.00 N ATOM 504 CE2 TRP A 35 4.343 10.246 -2.022 1.00 0.00 C ATOM 505 CE3 TRP A 35 4.428 7.839 -2.205 1.00 0.00 C ATOM 506 CZ2 TRP A 35 3.163 10.193 -1.286 1.00 0.00 C ATOM 507 CZ3 TRP A 35 3.256 7.788 -1.474 1.00 0.00 C ATOM 508 CH2 TRP A 35 2.634 8.959 -1.022 1.00 0.00 C ATOM 0 H TRP A 35 8.759 10.211 -2.756 1.00 0.00 H new ATOM 0 HA TRP A 35 7.865 7.823 -2.009 1.00 0.00 H new ATOM 0 HB2 TRP A 35 7.598 9.166 -4.722 1.00 0.00 H new ATOM 0 HB3 TRP A 35 6.662 7.753 -4.279 1.00 0.00 H new ATOM 0 HD1 TRP A 35 6.932 11.507 -3.575 1.00 0.00 H new ATOM 0 HE1 TRP A 35 4.865 12.300 -2.237 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.900 6.931 -2.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.682 11.094 -0.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.813 6.830 -1.248 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.718 8.886 -0.454 1.00 0.00 H new ATOM 519 N LYS A 36 8.584 5.804 -3.370 1.00 0.00 N ATOM 520 CA LYS A 36 9.225 4.619 -3.927 1.00 0.00 C ATOM 521 C LYS A 36 8.272 3.868 -4.851 1.00 0.00 C ATOM 522 O LYS A 36 7.523 2.997 -4.410 1.00 0.00 O ATOM 523 CB LYS A 36 9.697 3.693 -2.803 1.00 0.00 C ATOM 524 CG LYS A 36 10.659 4.357 -1.833 1.00 0.00 C ATOM 525 CD LYS A 36 9.918 5.105 -0.737 1.00 0.00 C ATOM 526 CE LYS A 36 10.833 5.429 0.434 1.00 0.00 C ATOM 527 NZ LYS A 36 11.494 6.753 0.271 1.00 0.00 N ATOM 0 H LYS A 36 7.753 5.610 -2.811 1.00 0.00 H new ATOM 0 HA LYS A 36 10.088 4.943 -4.509 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.829 3.333 -2.251 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.181 2.820 -3.241 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.306 3.602 -1.386 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.304 5.049 -2.375 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.503 6.028 -1.142 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.078 4.504 -0.388 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.256 5.423 1.359 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.593 4.653 0.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.398 6.755 0.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.669 6.932 -0.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.877 7.498 0.653 1.00 0.00 H new ATOM 541 N GLN A 37 8.306 4.212 -6.135 1.00 0.00 N ATOM 542 CA GLN A 37 7.445 3.569 -7.120 1.00 0.00 C ATOM 543 C GLN A 37 7.786 2.089 -7.259 1.00 0.00 C ATOM 544 O GLN A 37 8.836 1.732 -7.792 1.00 0.00 O ATOM 545 CB GLN A 37 7.578 4.264 -8.476 1.00 0.00 C ATOM 546 CG GLN A 37 6.665 3.690 -9.547 1.00 0.00 C ATOM 547 CD GLN A 37 6.934 4.275 -10.919 1.00 0.00 C ATOM 548 OE1 GLN A 37 7.827 5.106 -11.088 1.00 0.00 O ATOM 549 NE2 GLN A 37 6.162 3.843 -11.909 1.00 0.00 N ATOM 0 H GLN A 37 8.920 4.932 -6.517 1.00 0.00 H new ATOM 0 HA GLN A 37 6.415 3.655 -6.775 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.359 5.325 -8.354 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.612 4.189 -8.813 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.793 2.608 -9.586 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.627 3.879 -9.273 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.434 3.153 -11.724 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.297 4.201 -12.855 1.00 0.00 H new ATOM 558 N MET A 38 6.893 1.233 -6.774 1.00 0.00 N ATOM 559 CA MET A 38 7.100 -0.209 -6.845 1.00 0.00 C ATOM 560 C MET A 38 5.766 -0.948 -6.887 1.00 0.00 C ATOM 561 O MET A 38 4.872 -0.682 -6.084 1.00 0.00 O ATOM 562 CB MET A 38 7.923 -0.687 -5.648 1.00 0.00 C ATOM 563 CG MET A 38 7.258 -0.421 -4.307 1.00 0.00 C ATOM 564 SD MET A 38 8.372 -0.681 -2.914 1.00 0.00 S ATOM 565 CE MET A 38 8.851 -2.387 -3.177 1.00 0.00 C ATOM 0 H MET A 38 6.019 1.512 -6.328 1.00 0.00 H new ATOM 0 HA MET A 38 7.646 -0.428 -7.763 1.00 0.00 H new ATOM 0 HB2 MET A 38 8.106 -1.757 -5.748 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.895 -0.194 -5.666 1.00 0.00 H new ATOM 0 HG2 MET A 38 6.890 0.605 -4.286 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.391 -1.073 -4.200 1.00 0.00 H new ATOM 0 HE1 MET A 38 8.842 -2.918 -2.225 1.00 0.00 H new ATOM 0 HE2 MET A 38 8.149 -2.860 -3.863 1.00 0.00 H new ATOM 0 HE3 MET A 38 9.854 -2.422 -3.603 1.00 0.00 H new ATOM 575 N TYR A 39 5.639 -1.876 -7.829 1.00 0.00 N ATOM 576 CA TYR A 39 4.413 -2.652 -7.978 1.00 0.00 C ATOM 577 C TYR A 39 3.886 -3.103 -6.619 1.00 0.00 C ATOM 578 O TYR A 39 4.568 -3.814 -5.880 1.00 0.00 O ATOM 579 CB TYR A 39 4.660 -3.868 -8.872 1.00 0.00 C ATOM 580 CG TYR A 39 3.428 -4.334 -9.613 1.00 0.00 C ATOM 581 CD1 TYR A 39 2.470 -5.121 -8.985 1.00 0.00 C ATOM 582 CD2 TYR A 39 3.221 -3.989 -10.943 1.00 0.00 C ATOM 583 CE1 TYR A 39 1.343 -5.550 -9.659 1.00 0.00 C ATOM 584 CE2 TYR A 39 2.096 -4.412 -11.625 1.00 0.00 C ATOM 585 CZ TYR A 39 1.160 -5.192 -10.978 1.00 0.00 C ATOM 586 OH TYR A 39 0.039 -5.617 -11.654 1.00 0.00 O ATOM 0 H TYR A 39 6.370 -2.109 -8.501 1.00 0.00 H new ATOM 0 HA TYR A 39 3.663 -2.014 -8.445 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.438 -3.625 -9.595 1.00 0.00 H new ATOM 0 HB3 TYR A 39 5.038 -4.687 -8.260 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.609 -5.402 -7.952 1.00 0.00 H new ATOM 0 HD2 TYR A 39 3.952 -3.379 -11.453 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.609 -6.162 -9.156 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.950 -4.134 -12.658 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.303 -6.436 -11.238 1.00 0.00 H new ATOM 596 N VAL A 40 2.666 -2.686 -6.296 1.00 0.00 N ATOM 597 CA VAL A 40 2.045 -3.047 -5.028 1.00 0.00 C ATOM 598 C VAL A 40 0.889 -4.019 -5.239 1.00 0.00 C ATOM 599 O VAL A 40 -0.080 -3.707 -5.931 1.00 0.00 O ATOM 600 CB VAL A 40 1.526 -1.803 -4.282 1.00 0.00 C ATOM 601 CG1 VAL A 40 0.756 -2.211 -3.035 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.678 -0.876 -3.928 1.00 0.00 C ATOM 0 H VAL A 40 2.088 -2.097 -6.896 1.00 0.00 H new ATOM 0 HA VAL A 40 2.815 -3.528 -4.425 1.00 0.00 H new ATOM 0 HB VAL A 40 0.845 -1.263 -4.940 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.397 -1.319 -2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.093 -2.833 -3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.412 -2.774 -2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.293 -0.002 -3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.386 -1.403 -3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.182 -0.557 -4.840 1.00 0.00 H new ATOM 612 N VAL A 41 0.998 -5.199 -4.638 1.00 0.00 N ATOM 613 CA VAL A 41 -0.038 -6.217 -4.759 1.00 0.00 C ATOM 614 C VAL A 41 -0.734 -6.454 -3.423 1.00 0.00 C ATOM 615 O VAL A 41 -0.111 -6.375 -2.363 1.00 0.00 O ATOM 616 CB VAL A 41 0.541 -7.551 -5.267 1.00 0.00 C ATOM 617 CG1 VAL A 41 -0.568 -8.572 -5.469 1.00 0.00 C ATOM 618 CG2 VAL A 41 1.320 -7.336 -6.555 1.00 0.00 C ATOM 0 H VAL A 41 1.794 -5.474 -4.062 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.763 -5.845 -5.483 1.00 0.00 H new ATOM 0 HB VAL A 41 1.227 -7.940 -4.515 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.140 -9.508 -5.828 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.079 -8.746 -4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.281 -8.194 -6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.722 -8.288 -6.900 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.658 -6.924 -7.317 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.139 -6.641 -6.373 1.00 0.00 H new ATOM 628 N LEU A 42 -2.029 -6.746 -3.480 1.00 0.00 N ATOM 629 CA LEU A 42 -2.811 -6.996 -2.274 1.00 0.00 C ATOM 630 C LEU A 42 -3.380 -8.411 -2.278 1.00 0.00 C ATOM 631 O LEU A 42 -4.333 -8.706 -2.999 1.00 0.00 O ATOM 632 CB LEU A 42 -3.946 -5.978 -2.159 1.00 0.00 C ATOM 633 CG LEU A 42 -4.934 -6.201 -1.014 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.322 -5.773 0.311 1.00 0.00 C ATOM 635 CD2 LEU A 42 -6.230 -5.446 -1.272 1.00 0.00 C ATOM 0 H LEU A 42 -2.560 -6.815 -4.348 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.150 -6.893 -1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.508 -4.986 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.502 -5.976 -3.097 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.161 -7.266 -0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.040 -5.939 1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.422 -6.358 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.064 -4.715 0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.921 -5.617 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.020 -4.380 -1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.679 -5.800 -2.200 1.00 0.00 H new ATOM 647 N ARG A 43 -2.791 -9.282 -1.465 1.00 0.00 N ATOM 648 CA ARG A 43 -3.240 -10.666 -1.374 1.00 0.00 C ATOM 649 C ARG A 43 -3.761 -10.978 0.026 1.00 0.00 C ATOM 650 O ARG A 43 -3.027 -10.880 1.009 1.00 0.00 O ATOM 651 CB ARG A 43 -2.097 -11.620 -1.728 1.00 0.00 C ATOM 652 CG ARG A 43 -1.679 -11.554 -3.188 1.00 0.00 C ATOM 653 CD ARG A 43 -0.748 -12.700 -3.553 1.00 0.00 C ATOM 654 NE ARG A 43 -1.484 -13.902 -3.934 1.00 0.00 N ATOM 655 CZ ARG A 43 -1.843 -14.849 -3.073 1.00 0.00 C ATOM 656 NH1 ARG A 43 -1.534 -14.732 -1.789 1.00 0.00 N ATOM 657 NH2 ARG A 43 -2.511 -15.914 -3.497 1.00 0.00 N ATOM 0 H ARG A 43 -2.002 -9.054 -0.860 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.054 -10.805 -2.086 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.235 -11.390 -1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.400 -12.640 -1.491 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.564 -11.587 -3.823 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.182 -10.604 -3.383 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.102 -12.394 -4.376 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.100 -12.925 -2.706 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.737 -14.022 -4.915 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.020 -13.914 -1.461 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.810 -15.460 -1.130 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.749 -16.007 -4.484 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.786 -16.640 -2.836 1.00 0.00 H new ATOM 671 N GLY A 44 -5.034 -11.353 0.108 1.00 0.00 N ATOM 672 CA GLY A 44 -5.632 -11.672 1.392 1.00 0.00 C ATOM 673 C GLY A 44 -5.683 -10.475 2.321 1.00 0.00 C ATOM 674 O GLY A 44 -6.519 -9.586 2.155 1.00 0.00 O ATOM 0 H GLY A 44 -5.662 -11.442 -0.691 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.642 -12.050 1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.063 -12.472 1.866 1.00 0.00 H new ATOM 678 N HIS A 45 -4.788 -10.452 3.303 1.00 0.00 N ATOM 679 CA HIS A 45 -4.735 -9.355 4.264 1.00 0.00 C ATOM 680 C HIS A 45 -3.329 -8.769 4.342 1.00 0.00 C ATOM 681 O HIS A 45 -3.012 -8.012 5.259 1.00 0.00 O ATOM 682 CB HIS A 45 -5.177 -9.838 5.645 1.00 0.00 C ATOM 683 CG HIS A 45 -6.261 -10.871 5.601 1.00 0.00 C ATOM 684 ND1 HIS A 45 -6.032 -12.213 5.821 1.00 0.00 N ATOM 685 CD2 HIS A 45 -7.588 -10.752 5.361 1.00 0.00 C ATOM 686 CE1 HIS A 45 -7.171 -12.874 5.717 1.00 0.00 C ATOM 687 NE2 HIS A 45 -8.130 -12.011 5.439 1.00 0.00 N ATOM 0 H HIS A 45 -4.090 -11.180 3.455 1.00 0.00 H new ATOM 0 HA HIS A 45 -5.416 -8.574 3.926 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.315 -10.250 6.169 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.525 -8.983 6.225 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -8.121 -9.837 5.148 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.296 -13.940 5.839 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.114 -12.242 5.304 1.00 0.00 H new ATOM 696 N SER A 46 -2.490 -9.125 3.375 1.00 0.00 N ATOM 697 CA SER A 46 -1.116 -8.637 3.337 1.00 0.00 C ATOM 698 C SER A 46 -0.829 -7.923 2.020 1.00 0.00 C ATOM 699 O SER A 46 -1.496 -8.161 1.013 1.00 0.00 O ATOM 700 CB SER A 46 -0.136 -9.797 3.525 1.00 0.00 C ATOM 701 OG SER A 46 -0.401 -10.499 4.728 1.00 0.00 O ATOM 0 H SER A 46 -2.737 -9.749 2.607 1.00 0.00 H new ATOM 0 HA SER A 46 -0.987 -7.925 4.152 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.209 -10.480 2.678 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.885 -9.416 3.540 1.00 0.00 H new ATOM 0 HG SER A 46 0.238 -11.236 4.824 1.00 0.00 H new ATOM 707 N LEU A 47 0.169 -7.046 2.035 1.00 0.00 N ATOM 708 CA LEU A 47 0.547 -6.296 0.843 1.00 0.00 C ATOM 709 C LEU A 47 1.931 -6.709 0.355 1.00 0.00 C ATOM 710 O LEU A 47 2.928 -6.520 1.053 1.00 0.00 O ATOM 711 CB LEU A 47 0.522 -4.794 1.132 1.00 0.00 C ATOM 712 CG LEU A 47 -0.835 -4.104 0.985 1.00 0.00 C ATOM 713 CD1 LEU A 47 -0.819 -2.745 1.667 1.00 0.00 C ATOM 714 CD2 LEU A 47 -1.204 -3.961 -0.484 1.00 0.00 C ATOM 0 H LEU A 47 0.731 -6.837 2.860 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.176 -6.521 0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.880 -4.634 2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.230 -4.304 0.464 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.590 -4.722 1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.793 -2.269 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.600 -2.873 2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.053 -2.118 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.172 -3.468 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.447 -3.364 -0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.257 -4.948 -0.943 1.00 0.00 H new ATOM 726 N TYR A 48 1.986 -7.270 -0.848 1.00 0.00 N ATOM 727 CA TYR A 48 3.249 -7.710 -1.429 1.00 0.00 C ATOM 728 C TYR A 48 3.691 -6.770 -2.547 1.00 0.00 C ATOM 729 O TYR A 48 3.139 -6.794 -3.648 1.00 0.00 O ATOM 730 CB TYR A 48 3.117 -9.136 -1.968 1.00 0.00 C ATOM 731 CG TYR A 48 2.701 -10.143 -0.920 1.00 0.00 C ATOM 732 CD1 TYR A 48 3.465 -10.342 0.223 1.00 0.00 C ATOM 733 CD2 TYR A 48 1.543 -10.895 -1.074 1.00 0.00 C ATOM 734 CE1 TYR A 48 3.088 -11.262 1.182 1.00 0.00 C ATOM 735 CE2 TYR A 48 1.158 -11.817 -0.119 1.00 0.00 C ATOM 736 CZ TYR A 48 1.934 -11.997 1.007 1.00 0.00 C ATOM 737 OH TYR A 48 1.555 -12.913 1.961 1.00 0.00 O ATOM 0 H TYR A 48 1.171 -7.431 -1.440 1.00 0.00 H new ATOM 0 HA TYR A 48 4.006 -7.694 -0.645 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.387 -9.143 -2.777 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.071 -9.443 -2.397 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.369 -9.768 0.364 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.933 -10.757 -1.955 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.694 -11.405 2.065 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.255 -12.393 -0.254 1.00 0.00 H new ATOM 0 HH TYR A 48 0.719 -13.345 1.686 1.00 0.00 H new ATOM 747 N LEU A 49 4.689 -5.944 -2.256 1.00 0.00 N ATOM 748 CA LEU A 49 5.207 -4.996 -3.236 1.00 0.00 C ATOM 749 C LEU A 49 6.305 -5.632 -4.082 1.00 0.00 C ATOM 750 O LEU A 49 6.784 -6.724 -3.777 1.00 0.00 O ATOM 751 CB LEU A 49 5.748 -3.750 -2.532 1.00 0.00 C ATOM 752 CG LEU A 49 4.773 -3.027 -1.602 1.00 0.00 C ATOM 753 CD1 LEU A 49 4.869 -3.584 -0.191 1.00 0.00 C ATOM 754 CD2 LEU A 49 5.042 -1.529 -1.606 1.00 0.00 C ATOM 0 H LEU A 49 5.156 -5.911 -1.350 1.00 0.00 H new ATOM 0 HA LEU A 49 4.388 -4.708 -3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.626 -4.037 -1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.084 -3.045 -3.292 1.00 0.00 H new ATOM 0 HG LEU A 49 3.760 -3.194 -1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.168 -3.057 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.625 -4.646 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.883 -3.448 0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.339 -1.031 -0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.060 -1.341 -1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.920 -1.140 -2.617 1.00 0.00 H new ATOM 766 N TYR A 50 6.700 -4.941 -5.146 1.00 0.00 N ATOM 767 CA TYR A 50 7.741 -5.439 -6.037 1.00 0.00 C ATOM 768 C TYR A 50 8.402 -4.293 -6.796 1.00 0.00 C ATOM 769 O TYR A 50 7.738 -3.346 -7.218 1.00 0.00 O ATOM 770 CB TYR A 50 7.156 -6.449 -7.025 1.00 0.00 C ATOM 771 CG TYR A 50 6.408 -7.583 -6.360 1.00 0.00 C ATOM 772 CD1 TYR A 50 7.082 -8.545 -5.618 1.00 0.00 C ATOM 773 CD2 TYR A 50 5.027 -7.691 -6.474 1.00 0.00 C ATOM 774 CE1 TYR A 50 6.402 -9.583 -5.010 1.00 0.00 C ATOM 775 CE2 TYR A 50 4.340 -8.725 -5.868 1.00 0.00 C ATOM 776 CZ TYR A 50 5.032 -9.669 -5.137 1.00 0.00 C ATOM 777 OH TYR A 50 4.351 -10.700 -4.532 1.00 0.00 O ATOM 0 H TYR A 50 6.315 -4.035 -5.412 1.00 0.00 H new ATOM 0 HA TYR A 50 8.499 -5.933 -5.429 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.481 -5.930 -7.706 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.963 -6.862 -7.630 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.155 -8.480 -5.515 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.482 -6.954 -7.046 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.941 -10.323 -4.438 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.267 -8.794 -5.966 1.00 0.00 H new ATOM 0 HH TYR A 50 3.393 -10.613 -4.719 1.00 0.00 H new ATOM 787 N LYS A 51 9.717 -4.386 -6.968 1.00 0.00 N ATOM 788 CA LYS A 51 10.471 -3.359 -7.677 1.00 0.00 C ATOM 789 C LYS A 51 9.996 -3.237 -9.122 1.00 0.00 C ATOM 790 O LYS A 51 9.794 -2.132 -9.627 1.00 0.00 O ATOM 791 CB LYS A 51 11.966 -3.683 -7.646 1.00 0.00 C ATOM 792 CG LYS A 51 12.310 -5.029 -8.261 1.00 0.00 C ATOM 793 CD LYS A 51 13.811 -5.268 -8.275 1.00 0.00 C ATOM 794 CE LYS A 51 14.446 -4.751 -9.557 1.00 0.00 C ATOM 795 NZ LYS A 51 15.927 -4.655 -9.443 1.00 0.00 N ATOM 0 H LYS A 51 10.282 -5.163 -6.626 1.00 0.00 H new ATOM 0 HA LYS A 51 10.302 -2.406 -7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.510 -2.901 -8.176 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.311 -3.666 -6.612 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.819 -5.823 -7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.924 -5.074 -9.279 1.00 0.00 H new ATOM 0 HD2 LYS A 51 14.267 -4.774 -7.417 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.012 -6.334 -8.173 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.188 -5.414 -10.383 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.036 -3.770 -9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 16.322 -4.299 -10.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 16.174 -4.003 -8.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 16.321 -5.596 -9.241 1.00 0.00 H new ATOM 809 N ASP A 52 9.819 -4.377 -9.780 1.00 0.00 N ATOM 810 CA ASP A 52 9.366 -4.397 -11.166 1.00 0.00 C ATOM 811 C ASP A 52 8.309 -5.477 -11.377 1.00 0.00 C ATOM 812 O ASP A 52 7.923 -6.174 -10.438 1.00 0.00 O ATOM 813 CB ASP A 52 10.547 -4.631 -12.108 1.00 0.00 C ATOM 814 CG ASP A 52 10.268 -4.148 -13.518 1.00 0.00 C ATOM 815 OD1 ASP A 52 9.452 -3.216 -13.675 1.00 0.00 O ATOM 816 OD2 ASP A 52 10.865 -4.703 -14.465 1.00 0.00 O ATOM 0 H ASP A 52 9.982 -5.299 -9.376 1.00 0.00 H new ATOM 0 HA ASP A 52 8.919 -3.428 -11.390 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.426 -4.117 -11.718 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.784 -5.695 -12.132 1.00 0.00 H new ATOM 821 N LYS A 53 7.845 -5.610 -12.614 1.00 0.00 N ATOM 822 CA LYS A 53 6.833 -6.605 -12.950 1.00 0.00 C ATOM 823 C LYS A 53 7.481 -7.923 -13.360 1.00 0.00 C ATOM 824 O LYS A 53 7.017 -8.594 -14.282 1.00 0.00 O ATOM 825 CB LYS A 53 5.938 -6.091 -14.080 1.00 0.00 C ATOM 826 CG LYS A 53 4.640 -6.866 -14.228 1.00 0.00 C ATOM 827 CD LYS A 53 3.613 -6.438 -13.193 1.00 0.00 C ATOM 828 CE LYS A 53 2.417 -7.377 -13.173 1.00 0.00 C ATOM 829 NZ LYS A 53 2.813 -8.774 -12.844 1.00 0.00 N ATOM 0 H LYS A 53 8.154 -5.041 -13.402 1.00 0.00 H new ATOM 0 HA LYS A 53 6.224 -6.780 -12.063 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.706 -5.041 -13.900 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.489 -6.139 -15.019 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.235 -6.712 -15.228 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.839 -7.933 -14.125 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.076 -6.416 -12.207 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.277 -5.424 -13.410 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.690 -7.024 -12.441 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.925 -7.359 -14.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.985 -9.296 -12.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.181 -9.241 -13.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.550 -8.762 -12.110 1.00 0.00 H new ATOM 843 N ARG A 54 8.555 -8.290 -12.668 1.00 0.00 N ATOM 844 CA ARG A 54 9.267 -9.528 -12.961 1.00 0.00 C ATOM 845 C ARG A 54 8.444 -10.741 -12.537 1.00 0.00 C ATOM 846 O ARG A 54 7.298 -10.606 -12.109 1.00 0.00 O ATOM 847 CB ARG A 54 10.622 -9.543 -12.251 1.00 0.00 C ATOM 848 CG ARG A 54 11.622 -8.555 -12.827 1.00 0.00 C ATOM 849 CD ARG A 54 12.402 -9.162 -13.983 1.00 0.00 C ATOM 850 NE ARG A 54 11.745 -8.934 -15.266 1.00 0.00 N ATOM 851 CZ ARG A 54 12.262 -9.304 -16.433 1.00 0.00 C ATOM 852 NH1 ARG A 54 13.437 -9.916 -16.477 1.00 0.00 N ATOM 853 NH2 ARG A 54 11.602 -9.062 -17.559 1.00 0.00 N ATOM 0 H ARG A 54 8.951 -7.747 -11.900 1.00 0.00 H new ATOM 0 HA ARG A 54 9.429 -9.579 -14.038 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.472 -9.321 -11.195 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.042 -10.547 -12.309 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.098 -7.663 -13.169 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.314 -8.239 -12.046 1.00 0.00 H new ATOM 0 HD2 ARG A 54 13.404 -8.734 -14.008 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.517 -10.234 -13.820 1.00 0.00 H new ATOM 0 HE ARG A 54 10.839 -8.465 -15.267 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.947 -10.104 -15.614 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.831 -10.199 -17.374 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.697 -8.592 -17.529 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.999 -9.346 -18.454 1.00 0.00 H new ATOM 867 N GLU A 55 9.037 -11.924 -12.659 1.00 0.00 N ATOM 868 CA GLU A 55 8.358 -13.161 -12.289 1.00 0.00 C ATOM 869 C GLU A 55 7.428 -12.935 -11.100 1.00 0.00 C ATOM 870 O GLU A 55 6.281 -13.382 -11.104 1.00 0.00 O ATOM 871 CB GLU A 55 9.380 -14.249 -11.952 1.00 0.00 C ATOM 872 CG GLU A 55 9.957 -14.942 -13.174 1.00 0.00 C ATOM 873 CD GLU A 55 8.883 -15.472 -14.105 1.00 0.00 C ATOM 874 OE1 GLU A 55 8.009 -16.228 -13.631 1.00 0.00 O ATOM 875 OE2 GLU A 55 8.917 -15.133 -15.306 1.00 0.00 O ATOM 0 H GLU A 55 9.986 -12.052 -13.011 1.00 0.00 H new ATOM 0 HA GLU A 55 7.760 -13.486 -13.140 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.194 -13.806 -11.378 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.907 -14.994 -11.312 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.592 -14.242 -13.718 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.594 -15.766 -12.853 1.00 0.00 H new ATOM 882 N GLN A 56 7.931 -12.240 -10.085 1.00 0.00 N ATOM 883 CA GLN A 56 7.146 -11.957 -8.890 1.00 0.00 C ATOM 884 C GLN A 56 6.813 -13.242 -8.140 1.00 0.00 C ATOM 885 O GLN A 56 5.791 -13.330 -7.459 1.00 0.00 O ATOM 886 CB GLN A 56 5.858 -11.221 -9.263 1.00 0.00 C ATOM 887 CG GLN A 56 5.245 -10.445 -8.109 1.00 0.00 C ATOM 888 CD GLN A 56 3.968 -9.728 -8.500 1.00 0.00 C ATOM 889 OE1 GLN A 56 2.867 -10.243 -8.299 1.00 0.00 O ATOM 890 NE2 GLN A 56 4.107 -8.534 -9.064 1.00 0.00 N ATOM 0 H GLN A 56 8.878 -11.863 -10.067 1.00 0.00 H new ATOM 0 HA GLN A 56 7.743 -11.321 -8.236 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.067 -10.533 -10.082 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.130 -11.944 -9.631 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.036 -11.129 -7.287 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.968 -9.717 -7.741 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.038 -8.145 -9.212 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.282 -8.006 -9.349 1.00 0.00 H new ATOM 899 N THR A 57 7.682 -14.240 -8.270 1.00 0.00 N ATOM 900 CA THR A 57 7.480 -15.522 -7.607 1.00 0.00 C ATOM 901 C THR A 57 7.500 -15.365 -6.091 1.00 0.00 C ATOM 902 O THR A 57 6.639 -15.897 -5.389 1.00 0.00 O ATOM 903 CB THR A 57 8.554 -16.544 -8.021 1.00 0.00 C ATOM 904 OG1 THR A 57 8.673 -16.581 -9.447 1.00 0.00 O ATOM 905 CG2 THR A 57 8.210 -17.932 -7.500 1.00 0.00 C ATOM 0 H THR A 57 8.533 -14.184 -8.829 1.00 0.00 H new ATOM 0 HA THR A 57 6.502 -15.889 -7.919 1.00 0.00 H new ATOM 0 HB THR A 57 9.504 -16.234 -7.586 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.360 -17.232 -9.701 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.983 -18.637 -7.805 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.150 -17.908 -6.412 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.250 -18.247 -7.909 1.00 0.00 H new ATOM 913 N THR A 58 8.489 -14.631 -5.589 1.00 0.00 N ATOM 914 CA THR A 58 8.621 -14.405 -4.156 1.00 0.00 C ATOM 915 C THR A 58 7.657 -13.326 -3.678 1.00 0.00 C ATOM 916 O THR A 58 7.167 -12.508 -4.457 1.00 0.00 O ATOM 917 CB THR A 58 10.059 -13.996 -3.782 1.00 0.00 C ATOM 918 OG1 THR A 58 10.644 -13.237 -4.847 1.00 0.00 O ATOM 919 CG2 THR A 58 10.914 -15.221 -3.496 1.00 0.00 C ATOM 0 H THR A 58 9.210 -14.183 -6.155 1.00 0.00 H new ATOM 0 HA THR A 58 8.379 -15.347 -3.664 1.00 0.00 H new ATOM 0 HB THR A 58 10.017 -13.385 -2.880 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.557 -12.979 -4.602 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.924 -14.907 -3.234 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.482 -15.781 -2.666 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.949 -15.855 -4.382 1.00 0.00 H new ATOM 927 N PRO A 59 7.378 -13.319 -2.366 1.00 0.00 N ATOM 928 CA PRO A 59 6.470 -12.344 -1.755 1.00 0.00 C ATOM 929 C PRO A 59 7.059 -10.937 -1.736 1.00 0.00 C ATOM 930 O PRO A 59 6.346 -9.959 -1.514 1.00 0.00 O ATOM 931 CB PRO A 59 6.294 -12.869 -0.328 1.00 0.00 C ATOM 932 CG PRO A 59 7.528 -13.660 -0.060 1.00 0.00 C ATOM 933 CD PRO A 59 7.926 -14.264 -1.378 1.00 0.00 C ATOM 0 HA PRO A 59 5.536 -12.254 -2.309 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.186 -12.051 0.384 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.401 -13.488 -0.241 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.321 -13.024 0.334 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.341 -14.435 0.684 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.008 -14.356 -1.467 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.510 -15.263 -1.504 1.00 0.00 H new ATOM 941 N SER A 60 8.364 -10.843 -1.970 1.00 0.00 N ATOM 942 CA SER A 60 9.049 -9.556 -1.977 1.00 0.00 C ATOM 943 C SER A 60 10.508 -9.720 -2.390 1.00 0.00 C ATOM 944 O SER A 60 11.077 -10.805 -2.280 1.00 0.00 O ATOM 945 CB SER A 60 8.967 -8.904 -0.595 1.00 0.00 C ATOM 946 OG SER A 60 9.070 -9.874 0.433 1.00 0.00 O ATOM 0 H SER A 60 8.968 -11.643 -2.157 1.00 0.00 H new ATOM 0 HA SER A 60 8.555 -8.912 -2.704 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.765 -8.170 -0.488 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.024 -8.366 -0.499 1.00 0.00 H new ATOM 0 HG SER A 60 9.016 -9.432 1.306 1.00 0.00 H new ATOM 952 N GLU A 61 11.108 -8.632 -2.864 1.00 0.00 N ATOM 953 CA GLU A 61 12.501 -8.655 -3.294 1.00 0.00 C ATOM 954 C GLU A 61 13.419 -8.127 -2.195 1.00 0.00 C ATOM 955 O GLU A 61 14.316 -8.829 -1.731 1.00 0.00 O ATOM 956 CB GLU A 61 12.680 -7.823 -4.566 1.00 0.00 C ATOM 957 CG GLU A 61 12.293 -8.562 -5.836 1.00 0.00 C ATOM 958 CD GLU A 61 13.198 -9.745 -6.121 1.00 0.00 C ATOM 959 OE1 GLU A 61 13.019 -10.799 -5.475 1.00 0.00 O ATOM 960 OE2 GLU A 61 14.086 -9.616 -6.990 1.00 0.00 O ATOM 0 H GLU A 61 10.651 -7.725 -2.960 1.00 0.00 H new ATOM 0 HA GLU A 61 12.772 -9.690 -3.504 1.00 0.00 H new ATOM 0 HB2 GLU A 61 12.079 -6.917 -4.485 1.00 0.00 H new ATOM 0 HB3 GLU A 61 13.721 -7.509 -4.641 1.00 0.00 H new ATOM 0 HG2 GLU A 61 11.263 -8.909 -5.750 1.00 0.00 H new ATOM 0 HG3 GLU A 61 12.328 -7.871 -6.679 1.00 0.00 H new ATOM 967 N GLU A 62 13.186 -6.884 -1.784 1.00 0.00 N ATOM 968 CA GLU A 62 13.992 -6.261 -0.741 1.00 0.00 C ATOM 969 C GLU A 62 13.116 -5.795 0.418 1.00 0.00 C ATOM 970 O GLU A 62 13.514 -5.870 1.580 1.00 0.00 O ATOM 971 CB GLU A 62 14.776 -5.077 -1.310 1.00 0.00 C ATOM 972 CG GLU A 62 13.894 -3.938 -1.792 1.00 0.00 C ATOM 973 CD GLU A 62 13.607 -2.922 -0.703 1.00 0.00 C ATOM 974 OE1 GLU A 62 13.698 -3.286 0.488 1.00 0.00 O ATOM 975 OE2 GLU A 62 13.291 -1.762 -1.043 1.00 0.00 O ATOM 0 H GLU A 62 12.446 -6.289 -2.157 1.00 0.00 H new ATOM 0 HA GLU A 62 14.694 -7.006 -0.367 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.455 -4.701 -0.545 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.392 -5.425 -2.140 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.378 -3.439 -2.631 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.953 -4.344 -2.162 1.00 0.00 H new ATOM 982 N GLU A 63 11.920 -5.313 0.092 1.00 0.00 N ATOM 983 CA GLU A 63 10.988 -4.833 1.106 1.00 0.00 C ATOM 984 C GLU A 63 10.258 -5.997 1.768 1.00 0.00 C ATOM 985 O GLU A 63 10.394 -7.147 1.350 1.00 0.00 O ATOM 986 CB GLU A 63 9.976 -3.869 0.484 1.00 0.00 C ATOM 987 CG GLU A 63 10.512 -2.459 0.300 1.00 0.00 C ATOM 988 CD GLU A 63 9.426 -1.405 0.397 1.00 0.00 C ATOM 989 OE1 GLU A 63 8.486 -1.592 1.197 1.00 0.00 O ATOM 990 OE2 GLU A 63 9.517 -0.392 -0.329 1.00 0.00 O ATOM 0 H GLU A 63 11.574 -5.245 -0.865 1.00 0.00 H new ATOM 0 HA GLU A 63 11.560 -4.305 1.869 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.663 -4.259 -0.485 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.088 -3.832 1.114 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.273 -2.262 1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.000 -2.384 -0.672 1.00 0.00 H new ATOM 997 N GLN A 64 9.484 -5.690 2.804 1.00 0.00 N ATOM 998 CA GLN A 64 8.733 -6.711 3.525 1.00 0.00 C ATOM 999 C GLN A 64 7.231 -6.475 3.397 1.00 0.00 C ATOM 1000 O GLN A 64 6.770 -5.349 3.206 1.00 0.00 O ATOM 1001 CB GLN A 64 9.135 -6.724 5.001 1.00 0.00 C ATOM 1002 CG GLN A 64 8.436 -5.659 5.831 1.00 0.00 C ATOM 1003 CD GLN A 64 8.601 -5.881 7.322 1.00 0.00 C ATOM 1004 OE1 GLN A 64 9.707 -5.792 7.856 1.00 0.00 O ATOM 1005 NE2 GLN A 64 7.499 -6.170 8.003 1.00 0.00 N ATOM 0 H GLN A 64 9.361 -4.743 3.163 1.00 0.00 H new ATOM 0 HA GLN A 64 8.969 -7.679 3.083 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.912 -7.705 5.421 1.00 0.00 H new ATOM 0 HB3 GLN A 64 10.213 -6.582 5.077 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.833 -4.679 5.567 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.374 -5.650 5.584 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.603 -6.234 7.520 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.548 -6.328 9.009 1.00 0.00 H new ATOM 1014 N PRO A 65 6.450 -7.559 3.505 1.00 0.00 N ATOM 1015 CA PRO A 65 4.989 -7.495 3.405 1.00 0.00 C ATOM 1016 C PRO A 65 4.355 -6.799 4.605 1.00 0.00 C ATOM 1017 O PRO A 65 4.799 -6.972 5.741 1.00 0.00 O ATOM 1018 CB PRO A 65 4.571 -8.967 3.360 1.00 0.00 C ATOM 1019 CG PRO A 65 5.675 -9.695 4.047 1.00 0.00 C ATOM 1020 CD PRO A 65 6.932 -8.932 3.734 1.00 0.00 C ATOM 0 HA PRO A 65 4.666 -6.919 2.538 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.618 -9.124 3.866 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.447 -9.312 2.334 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.503 -9.740 5.122 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.744 -10.723 3.692 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.644 -8.976 4.558 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.437 -9.333 2.855 1.00 0.00 H new ATOM 1028 N ILE A 66 3.317 -6.011 4.346 1.00 0.00 N ATOM 1029 CA ILE A 66 2.623 -5.290 5.405 1.00 0.00 C ATOM 1030 C ILE A 66 1.193 -5.794 5.568 1.00 0.00 C ATOM 1031 O ILE A 66 0.411 -5.791 4.617 1.00 0.00 O ATOM 1032 CB ILE A 66 2.592 -3.775 5.129 1.00 0.00 C ATOM 1033 CG1 ILE A 66 4.006 -3.255 4.860 1.00 0.00 C ATOM 1034 CG2 ILE A 66 1.963 -3.035 6.300 1.00 0.00 C ATOM 1035 CD1 ILE A 66 4.038 -2.006 4.007 1.00 0.00 C ATOM 0 H ILE A 66 2.938 -5.856 3.412 1.00 0.00 H new ATOM 0 HA ILE A 66 3.178 -5.472 6.325 1.00 0.00 H new ATOM 0 HB ILE A 66 1.984 -3.595 4.243 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.496 -3.048 5.812 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.584 -4.037 4.367 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.949 -1.966 6.089 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.943 -3.389 6.449 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.546 -3.219 7.202 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.072 -1.694 3.857 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.578 -2.213 3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.488 -1.209 4.508 1.00 0.00 H new ATOM 1047 N SER A 67 0.858 -6.226 6.780 1.00 0.00 N ATOM 1048 CA SER A 67 -0.478 -6.736 7.067 1.00 0.00 C ATOM 1049 C SER A 67 -1.479 -5.592 7.199 1.00 0.00 C ATOM 1050 O SER A 67 -1.502 -4.885 8.207 1.00 0.00 O ATOM 1051 CB SER A 67 -0.464 -7.568 8.351 1.00 0.00 C ATOM 1052 OG SER A 67 0.553 -8.554 8.309 1.00 0.00 O ATOM 0 H SER A 67 1.493 -6.233 7.578 1.00 0.00 H new ATOM 0 HA SER A 67 -0.785 -7.370 6.235 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.306 -6.915 9.209 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.434 -8.047 8.488 1.00 0.00 H new ATOM 0 HG SER A 67 0.542 -9.071 9.142 1.00 0.00 H new ATOM 1058 N VAL A 68 -2.306 -5.417 6.174 1.00 0.00 N ATOM 1059 CA VAL A 68 -3.311 -4.360 6.174 1.00 0.00 C ATOM 1060 C VAL A 68 -4.416 -4.653 7.183 1.00 0.00 C ATOM 1061 O VAL A 68 -5.114 -3.747 7.634 1.00 0.00 O ATOM 1062 CB VAL A 68 -3.939 -4.182 4.779 1.00 0.00 C ATOM 1063 CG1 VAL A 68 -2.862 -3.914 3.739 1.00 0.00 C ATOM 1064 CG2 VAL A 68 -4.760 -5.407 4.405 1.00 0.00 C ATOM 0 H VAL A 68 -2.300 -5.993 5.332 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.801 -3.438 6.455 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.606 -3.320 4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.324 -3.791 2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.321 -3.005 4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.168 -4.754 3.709 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.197 -5.264 3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.117 -6.287 4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.556 -5.549 5.136 1.00 0.00 H new ATOM 1074 N ASN A 69 -4.568 -5.926 7.533 1.00 0.00 N ATOM 1075 CA ASN A 69 -5.588 -6.340 8.489 1.00 0.00 C ATOM 1076 C ASN A 69 -5.722 -5.321 9.617 1.00 0.00 C ATOM 1077 O ASN A 69 -4.817 -5.166 10.437 1.00 0.00 O ATOM 1078 CB ASN A 69 -5.249 -7.715 9.067 1.00 0.00 C ATOM 1079 CG ASN A 69 -6.388 -8.298 9.881 1.00 0.00 C ATOM 1080 OD1 ASN A 69 -6.208 -8.679 11.037 1.00 0.00 O ATOM 1081 ND2 ASN A 69 -7.569 -8.370 9.278 1.00 0.00 N ATOM 0 H ASN A 69 -3.997 -6.689 7.169 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.540 -6.400 7.962 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.002 -8.397 8.253 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.362 -7.633 9.695 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.373 -8.753 9.775 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.672 -8.042 8.318 1.00 0.00 H new ATOM 1088 N ALA A 70 -6.856 -4.629 9.651 1.00 0.00 N ATOM 1089 CA ALA A 70 -7.109 -3.627 10.679 1.00 0.00 C ATOM 1090 C ALA A 70 -6.268 -2.377 10.446 1.00 0.00 C ATOM 1091 O ALA A 70 -5.735 -1.791 11.389 1.00 0.00 O ATOM 1092 CB ALA A 70 -6.829 -4.204 12.059 1.00 0.00 C ATOM 0 H ALA A 70 -7.614 -4.744 8.978 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.160 -3.342 10.623 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.022 -3.445 12.817 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.477 -5.063 12.233 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.787 -4.518 12.117 1.00 0.00 H new ATOM 1098 N CYS A 71 -6.154 -1.973 9.186 1.00 0.00 N ATOM 1099 CA CYS A 71 -5.376 -0.792 8.829 1.00 0.00 C ATOM 1100 C CYS A 71 -6.271 0.439 8.732 1.00 0.00 C ATOM 1101 O CYS A 71 -7.388 0.370 8.218 1.00 0.00 O ATOM 1102 CB CYS A 71 -4.651 -1.016 7.501 1.00 0.00 C ATOM 1103 SG CYS A 71 -5.749 -1.397 6.115 1.00 0.00 S ATOM 0 H CYS A 71 -6.590 -2.446 8.394 1.00 0.00 H new ATOM 0 HA CYS A 71 -4.638 -0.622 9.613 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -4.075 -0.123 7.259 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -3.939 -1.832 7.621 1.00 0.00 H new ATOM 0 HG CYS A 71 -5.996 -2.673 6.096 1.00 0.00 H new ATOM 1109 N LEU A 72 -5.774 1.566 9.232 1.00 0.00 N ATOM 1110 CA LEU A 72 -6.529 2.813 9.204 1.00 0.00 C ATOM 1111 C LEU A 72 -6.159 3.646 7.980 1.00 0.00 C ATOM 1112 O LEU A 72 -5.100 4.273 7.942 1.00 0.00 O ATOM 1113 CB LEU A 72 -6.271 3.617 10.479 1.00 0.00 C ATOM 1114 CG LEU A 72 -6.616 5.106 10.416 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -8.084 5.327 10.749 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -5.727 5.900 11.362 1.00 0.00 C ATOM 0 H LEU A 72 -4.852 1.641 9.661 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.589 2.566 9.146 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.842 3.166 11.291 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.217 3.520 10.739 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.437 5.459 9.400 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.312 6.392 10.699 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.705 4.789 10.032 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.289 4.959 11.754 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.987 6.957 11.304 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.874 5.546 12.382 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.683 5.767 11.078 1.00 0.00 H new ATOM 1128 N ILE A 73 -7.039 3.650 6.985 1.00 0.00 N ATOM 1129 CA ILE A 73 -6.806 4.408 5.763 1.00 0.00 C ATOM 1130 C ILE A 73 -7.414 5.804 5.858 1.00 0.00 C ATOM 1131 O ILE A 73 -8.481 5.989 6.443 1.00 0.00 O ATOM 1132 CB ILE A 73 -7.392 3.689 4.533 1.00 0.00 C ATOM 1133 CG1 ILE A 73 -6.501 2.510 4.133 1.00 0.00 C ATOM 1134 CG2 ILE A 73 -7.546 4.661 3.374 1.00 0.00 C ATOM 1135 CD1 ILE A 73 -7.188 1.517 3.222 1.00 0.00 C ATOM 0 H ILE A 73 -7.920 3.137 7.001 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.726 4.491 5.645 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.379 3.304 4.791 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.609 2.891 3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.168 1.995 5.034 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.961 4.137 2.513 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.216 5.470 3.664 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.571 5.073 3.113 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.498 0.709 2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.064 1.108 3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.497 2.018 2.305 1.00 0.00 H new ATOM 1147 N ASP A 74 -6.728 6.782 5.276 1.00 0.00 N ATOM 1148 CA ASP A 74 -7.201 8.161 5.293 1.00 0.00 C ATOM 1149 C ASP A 74 -6.490 8.992 4.229 1.00 0.00 C ATOM 1150 O ASP A 74 -5.260 9.024 4.172 1.00 0.00 O ATOM 1151 CB ASP A 74 -6.981 8.782 6.673 1.00 0.00 C ATOM 1152 CG ASP A 74 -7.885 8.179 7.730 1.00 0.00 C ATOM 1153 OD1 ASP A 74 -9.018 8.677 7.894 1.00 0.00 O ATOM 1154 OD2 ASP A 74 -7.459 7.210 8.393 1.00 0.00 O ATOM 0 H ASP A 74 -5.843 6.645 4.787 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.268 8.155 5.072 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.941 8.645 6.968 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.158 9.856 6.617 1.00 0.00 H new ATOM 1159 N ILE A 75 -7.271 9.660 3.387 1.00 0.00 N ATOM 1160 CA ILE A 75 -6.716 10.490 2.325 1.00 0.00 C ATOM 1161 C ILE A 75 -5.587 11.371 2.850 1.00 0.00 C ATOM 1162 O ILE A 75 -5.829 12.367 3.531 1.00 0.00 O ATOM 1163 CB ILE A 75 -7.796 11.385 1.687 1.00 0.00 C ATOM 1164 CG1 ILE A 75 -8.902 10.526 1.071 1.00 0.00 C ATOM 1165 CG2 ILE A 75 -7.177 12.294 0.637 1.00 0.00 C ATOM 1166 CD1 ILE A 75 -10.072 11.330 0.549 1.00 0.00 C ATOM 0 H ILE A 75 -8.290 9.643 3.420 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.323 9.812 1.567 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.237 12.009 2.465 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.482 9.939 0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.262 9.820 1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.952 12.920 0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.421 12.926 1.103 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.713 11.688 -0.141 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.817 10.656 0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -10.517 11.897 1.366 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -9.726 12.017 -0.223 1.00 0.00 H new ATOM 1178 N SER A 76 -4.354 10.998 2.525 1.00 0.00 N ATOM 1179 CA SER A 76 -3.186 11.753 2.965 1.00 0.00 C ATOM 1180 C SER A 76 -3.486 13.248 2.995 1.00 0.00 C ATOM 1181 O SER A 76 -4.341 13.737 2.256 1.00 0.00 O ATOM 1182 CB SER A 76 -1.997 11.478 2.041 1.00 0.00 C ATOM 1183 OG SER A 76 -0.769 11.650 2.727 1.00 0.00 O ATOM 0 H SER A 76 -4.137 10.178 1.959 1.00 0.00 H new ATOM 0 HA SER A 76 -2.934 11.430 3.975 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.061 10.461 1.653 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.036 12.150 1.183 1.00 0.00 H new ATOM 0 HG SER A 76 -0.838 12.416 3.334 1.00 0.00 H new ATOM 1189 N TYR A 77 -2.776 13.970 3.855 1.00 0.00 N ATOM 1190 CA TYR A 77 -2.966 15.410 3.985 1.00 0.00 C ATOM 1191 C TYR A 77 -2.971 16.084 2.616 1.00 0.00 C ATOM 1192 O TYR A 77 -2.780 15.432 1.590 1.00 0.00 O ATOM 1193 CB TYR A 77 -1.867 16.014 4.860 1.00 0.00 C ATOM 1194 CG TYR A 77 -0.496 15.435 4.597 1.00 0.00 C ATOM 1195 CD1 TYR A 77 -0.098 14.243 5.190 1.00 0.00 C ATOM 1196 CD2 TYR A 77 0.402 16.079 3.755 1.00 0.00 C ATOM 1197 CE1 TYR A 77 1.154 13.710 4.953 1.00 0.00 C ATOM 1198 CE2 TYR A 77 1.656 15.552 3.511 1.00 0.00 C ATOM 1199 CZ TYR A 77 2.027 14.368 4.112 1.00 0.00 C ATOM 1200 OH TYR A 77 3.276 13.841 3.872 1.00 0.00 O ATOM 0 H TYR A 77 -2.063 13.581 4.473 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.933 15.582 4.458 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.835 17.091 4.696 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.123 15.859 5.908 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.780 13.724 5.848 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.115 17.007 3.283 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.448 12.783 5.424 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.342 16.065 2.853 1.00 0.00 H new ATOM 0 HH TYR A 77 3.765 14.426 3.257 1.00 0.00 H new ATOM 1210 N SER A 78 -3.189 17.395 2.611 1.00 0.00 N ATOM 1211 CA SER A 78 -3.221 18.160 1.370 1.00 0.00 C ATOM 1212 C SER A 78 -2.033 19.114 1.288 1.00 0.00 C ATOM 1213 O SER A 78 -2.200 20.309 1.048 1.00 0.00 O ATOM 1214 CB SER A 78 -4.530 18.946 1.264 1.00 0.00 C ATOM 1215 OG SER A 78 -4.696 19.487 -0.035 1.00 0.00 O ATOM 0 H SER A 78 -3.346 17.950 3.452 1.00 0.00 H new ATOM 0 HA SER A 78 -3.158 17.458 0.538 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.370 18.293 1.499 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.536 19.750 2.000 1.00 0.00 H new ATOM 0 HG SER A 78 -3.941 20.077 -0.243 1.00 0.00 H new ATOM 1221 N GLU A 79 -0.835 18.575 1.490 1.00 0.00 N ATOM 1222 CA GLU A 79 0.381 19.379 1.440 1.00 0.00 C ATOM 1223 C GLU A 79 1.359 18.822 0.409 1.00 0.00 C ATOM 1224 O GLU A 79 1.701 19.493 -0.566 1.00 0.00 O ATOM 1225 CB GLU A 79 1.046 19.424 2.817 1.00 0.00 C ATOM 1226 CG GLU A 79 2.078 20.530 2.959 1.00 0.00 C ATOM 1227 CD GLU A 79 3.416 20.162 2.347 1.00 0.00 C ATOM 1228 OE1 GLU A 79 3.810 18.982 2.448 1.00 0.00 O ATOM 1229 OE2 GLU A 79 4.068 21.055 1.767 1.00 0.00 O ATOM 0 H GLU A 79 -0.680 17.587 1.689 1.00 0.00 H new ATOM 0 HA GLU A 79 0.105 20.391 1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.277 19.556 3.578 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.525 18.464 3.011 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.702 21.436 2.483 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.217 20.759 4.016 1.00 0.00 H new ATOM 1236 N THR A 80 1.807 17.591 0.632 1.00 0.00 N ATOM 1237 CA THR A 80 2.747 16.944 -0.275 1.00 0.00 C ATOM 1238 C THR A 80 2.301 17.091 -1.726 1.00 0.00 C ATOM 1239 O THR A 80 1.122 16.934 -2.043 1.00 0.00 O ATOM 1240 CB THR A 80 2.904 15.447 0.052 1.00 0.00 C ATOM 1241 OG1 THR A 80 3.630 14.790 -0.992 1.00 0.00 O ATOM 1242 CG2 THR A 80 1.545 14.785 0.225 1.00 0.00 C ATOM 0 H THR A 80 1.534 17.022 1.433 1.00 0.00 H new ATOM 0 HA THR A 80 3.708 17.441 -0.141 1.00 0.00 H new ATOM 0 HB THR A 80 3.456 15.359 0.988 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.727 13.839 -0.775 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.682 13.728 0.455 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.006 15.267 1.041 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.972 14.884 -0.697 1.00 0.00 H new ATOM 1250 N LYS A 81 3.251 17.393 -2.604 1.00 0.00 N ATOM 1251 CA LYS A 81 2.958 17.559 -4.022 1.00 0.00 C ATOM 1252 C LYS A 81 2.650 16.216 -4.676 1.00 0.00 C ATOM 1253 O LYS A 81 3.551 15.528 -5.158 1.00 0.00 O ATOM 1254 CB LYS A 81 4.138 18.226 -4.734 1.00 0.00 C ATOM 1255 CG LYS A 81 5.485 17.626 -4.370 1.00 0.00 C ATOM 1256 CD LYS A 81 6.575 18.083 -5.325 1.00 0.00 C ATOM 1257 CE LYS A 81 7.234 19.367 -4.844 1.00 0.00 C ATOM 1258 NZ LYS A 81 8.059 19.144 -3.624 1.00 0.00 N ATOM 0 H LYS A 81 4.232 17.528 -2.358 1.00 0.00 H new ATOM 0 HA LYS A 81 2.079 18.197 -4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.993 18.147 -5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 81 4.145 19.288 -4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.749 17.912 -3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.417 16.538 -4.388 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.328 17.300 -5.421 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.150 18.240 -6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.862 19.772 -5.638 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.467 20.112 -4.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.755 19.911 -3.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 7.443 19.131 -2.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.556 18.234 -3.703 1.00 0.00 H new ATOM 1272 N ARG A 82 1.373 15.848 -4.689 1.00 0.00 N ATOM 1273 CA ARG A 82 0.947 14.587 -5.284 1.00 0.00 C ATOM 1274 C ARG A 82 -0.539 14.623 -5.629 1.00 0.00 C ATOM 1275 O ARG A 82 -1.223 15.615 -5.376 1.00 0.00 O ATOM 1276 CB ARG A 82 1.232 13.426 -4.329 1.00 0.00 C ATOM 1277 CG ARG A 82 1.151 13.812 -2.861 1.00 0.00 C ATOM 1278 CD ARG A 82 -0.209 13.472 -2.270 1.00 0.00 C ATOM 1279 NE ARG A 82 -0.635 14.454 -1.277 1.00 0.00 N ATOM 1280 CZ ARG A 82 -1.077 15.668 -1.587 1.00 0.00 C ATOM 1281 NH1 ARG A 82 -1.150 16.047 -2.855 1.00 0.00 N ATOM 1282 NH2 ARG A 82 -1.447 16.506 -0.626 1.00 0.00 N ATOM 0 H ARG A 82 0.615 16.405 -4.294 1.00 0.00 H new ATOM 0 HA ARG A 82 1.512 14.439 -6.204 1.00 0.00 H new ATOM 0 HB2 ARG A 82 0.522 12.623 -4.525 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.226 13.030 -4.538 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.931 13.293 -2.304 1.00 0.00 H new ATOM 0 HG3 ARG A 82 1.339 14.880 -2.754 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -0.949 13.420 -3.069 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -0.168 12.485 -1.809 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.591 14.194 -0.292 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.866 15.406 -3.596 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -1.490 16.980 -3.090 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -1.392 16.218 0.351 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -1.786 17.438 -0.865 1.00 0.00 H new ATOM 1296 N LYS A 83 -1.033 13.534 -6.208 1.00 0.00 N ATOM 1297 CA LYS A 83 -2.438 13.439 -6.588 1.00 0.00 C ATOM 1298 C LYS A 83 -2.962 12.021 -6.384 1.00 0.00 C ATOM 1299 O LYS A 83 -2.315 11.049 -6.771 1.00 0.00 O ATOM 1300 CB LYS A 83 -2.622 13.857 -8.049 1.00 0.00 C ATOM 1301 CG LYS A 83 -2.090 15.246 -8.355 1.00 0.00 C ATOM 1302 CD LYS A 83 -2.032 15.504 -9.852 1.00 0.00 C ATOM 1303 CE LYS A 83 -3.416 15.766 -10.426 1.00 0.00 C ATOM 1304 NZ LYS A 83 -3.507 15.367 -11.858 1.00 0.00 N ATOM 0 H LYS A 83 -0.481 12.704 -6.425 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.008 14.114 -5.949 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.118 13.134 -8.691 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -3.683 13.820 -8.298 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.726 15.993 -7.881 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.094 15.358 -7.927 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.387 16.360 -10.050 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.585 14.645 -10.353 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.159 15.216 -9.848 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.655 16.825 -10.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.465 15.561 -12.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.816 15.910 -12.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.304 14.351 -11.949 1.00 0.00 H new ATOM 1318 N ASN A 84 -4.138 11.912 -5.775 1.00 0.00 N ATOM 1319 CA ASN A 84 -4.749 10.612 -5.521 1.00 0.00 C ATOM 1320 C ASN A 84 -3.889 9.783 -4.573 1.00 0.00 C ATOM 1321 O ASN A 84 -3.544 8.639 -4.870 1.00 0.00 O ATOM 1322 CB ASN A 84 -4.954 9.856 -6.836 1.00 0.00 C ATOM 1323 CG ASN A 84 -5.397 10.767 -7.964 1.00 0.00 C ATOM 1324 OD1 ASN A 84 -6.485 11.342 -7.922 1.00 0.00 O ATOM 1325 ND2 ASN A 84 -4.553 10.903 -8.981 1.00 0.00 N ATOM 0 H ASN A 84 -4.687 12.707 -5.448 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.718 10.779 -5.051 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.024 9.361 -7.116 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.699 9.074 -6.690 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.796 11.503 -9.769 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -3.662 10.407 -8.974 1.00 0.00 H new ATOM 1332 N VAL A 85 -3.546 10.367 -3.430 1.00 0.00 N ATOM 1333 CA VAL A 85 -2.728 9.682 -2.436 1.00 0.00 C ATOM 1334 C VAL A 85 -3.522 9.408 -1.164 1.00 0.00 C ATOM 1335 O VAL A 85 -4.209 10.288 -0.646 1.00 0.00 O ATOM 1336 CB VAL A 85 -1.474 10.503 -2.079 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -0.659 9.794 -1.007 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -0.632 10.757 -3.320 1.00 0.00 C ATOM 0 H VAL A 85 -3.822 11.314 -3.169 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.420 8.735 -2.879 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.793 11.467 -1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.223 10.388 -0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.267 9.669 -0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.348 8.816 -1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.249 11.338 -3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.321 9.805 -3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.220 11.310 -4.052 1.00 0.00 H new ATOM 1348 N PHE A 86 -3.424 8.180 -0.665 1.00 0.00 N ATOM 1349 CA PHE A 86 -4.134 7.788 0.547 1.00 0.00 C ATOM 1350 C PHE A 86 -3.162 7.270 1.603 1.00 0.00 C ATOM 1351 O PHE A 86 -2.280 6.463 1.308 1.00 0.00 O ATOM 1352 CB PHE A 86 -5.178 6.716 0.228 1.00 0.00 C ATOM 1353 CG PHE A 86 -4.687 5.667 -0.728 1.00 0.00 C ATOM 1354 CD1 PHE A 86 -4.468 5.973 -2.061 1.00 0.00 C ATOM 1355 CD2 PHE A 86 -4.444 4.374 -0.293 1.00 0.00 C ATOM 1356 CE1 PHE A 86 -4.016 5.010 -2.943 1.00 0.00 C ATOM 1357 CE2 PHE A 86 -3.992 3.407 -1.170 1.00 0.00 C ATOM 1358 CZ PHE A 86 -3.778 3.725 -2.498 1.00 0.00 C ATOM 0 H PHE A 86 -2.860 7.439 -1.081 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.638 8.669 0.944 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.488 6.234 1.156 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.062 7.195 -0.193 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.653 6.976 -2.415 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.610 4.119 0.743 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.849 5.262 -3.980 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.806 2.403 -0.818 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.426 2.970 -3.186 1.00 0.00 H new ATOM 1368 N ARG A 87 -3.330 7.740 2.835 1.00 0.00 N ATOM 1369 CA ARG A 87 -2.468 7.326 3.935 1.00 0.00 C ATOM 1370 C ARG A 87 -3.018 6.077 4.617 1.00 0.00 C ATOM 1371 O ARG A 87 -4.136 6.080 5.134 1.00 0.00 O ATOM 1372 CB ARG A 87 -2.328 8.457 4.955 1.00 0.00 C ATOM 1373 CG ARG A 87 -1.591 8.049 6.220 1.00 0.00 C ATOM 1374 CD ARG A 87 -1.017 9.256 6.945 1.00 0.00 C ATOM 1375 NE ARG A 87 -1.975 9.839 7.881 1.00 0.00 N ATOM 1376 CZ ARG A 87 -1.803 11.016 8.471 1.00 0.00 C ATOM 1377 NH1 ARG A 87 -0.716 11.734 8.223 1.00 0.00 N ATOM 1378 NH2 ARG A 87 -2.720 11.479 9.311 1.00 0.00 N ATOM 0 H ARG A 87 -4.055 8.408 3.096 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.486 7.092 3.525 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.801 9.290 4.491 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.321 8.818 5.224 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.272 7.515 6.883 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.786 7.359 5.967 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.117 8.961 7.484 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.719 10.009 6.216 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.823 9.313 8.093 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.009 11.382 7.577 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.587 12.638 8.678 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.558 10.931 9.504 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.587 12.383 9.764 1.00 0.00 H new ATOM 1392 N LEU A 88 -2.226 5.010 4.613 1.00 0.00 N ATOM 1393 CA LEU A 88 -2.634 3.753 5.231 1.00 0.00 C ATOM 1394 C LEU A 88 -1.770 3.439 6.449 1.00 0.00 C ATOM 1395 O LEU A 88 -0.542 3.485 6.381 1.00 0.00 O ATOM 1396 CB LEU A 88 -2.542 2.610 4.218 1.00 0.00 C ATOM 1397 CG LEU A 88 -2.617 1.196 4.793 1.00 0.00 C ATOM 1398 CD1 LEU A 88 -3.251 0.245 3.790 1.00 0.00 C ATOM 1399 CD2 LEU A 88 -1.232 0.707 5.193 1.00 0.00 C ATOM 0 H LEU A 88 -1.298 4.990 4.189 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.668 3.857 5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.347 2.729 3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.604 2.709 3.672 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.243 1.221 5.685 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.296 -0.757 4.217 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.260 0.585 3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.653 0.225 2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.306 -0.301 5.600 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.582 0.698 4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.815 1.373 5.948 1.00 0.00 H new ATOM 1411 N THR A 89 -2.421 3.118 7.562 1.00 0.00 N ATOM 1412 CA THR A 89 -1.713 2.795 8.795 1.00 0.00 C ATOM 1413 C THR A 89 -2.012 1.369 9.244 1.00 0.00 C ATOM 1414 O THR A 89 -3.158 1.028 9.541 1.00 0.00 O ATOM 1415 CB THR A 89 -2.088 3.768 9.929 1.00 0.00 C ATOM 1416 OG1 THR A 89 -2.170 5.104 9.422 1.00 0.00 O ATOM 1417 CG2 THR A 89 -1.065 3.709 11.053 1.00 0.00 C ATOM 0 H THR A 89 -3.437 3.075 7.635 1.00 0.00 H new ATOM 0 HA THR A 89 -0.648 2.890 8.582 1.00 0.00 H new ATOM 0 HB THR A 89 -3.059 3.471 10.326 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.410 5.716 10.149 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.351 4.404 11.842 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.026 2.697 11.457 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.083 3.983 10.666 1.00 0.00 H new ATOM 1425 N THR A 90 -0.975 0.539 9.292 1.00 0.00 N ATOM 1426 CA THR A 90 -1.127 -0.850 9.704 1.00 0.00 C ATOM 1427 C THR A 90 -0.513 -1.086 11.079 1.00 0.00 C ATOM 1428 O THR A 90 0.560 -0.568 11.387 1.00 0.00 O ATOM 1429 CB THR A 90 -0.475 -1.811 8.692 1.00 0.00 C ATOM 1430 OG1 THR A 90 0.946 -1.811 8.862 1.00 0.00 O ATOM 1431 CG2 THR A 90 -0.821 -1.410 7.266 1.00 0.00 C ATOM 0 H THR A 90 -0.020 0.805 9.050 1.00 0.00 H new ATOM 0 HA THR A 90 -2.197 -1.051 9.747 1.00 0.00 H new ATOM 0 HB THR A 90 -0.862 -2.814 8.875 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.268 -0.888 8.925 1.00 0.00 H new ATOM 0 HG21 THR A 90 -0.350 -2.103 6.569 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.902 -1.440 7.132 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.459 -0.400 7.074 1.00 0.00 H new ATOM 1439 N SER A 91 -1.200 -1.872 11.902 1.00 0.00 N ATOM 1440 CA SER A 91 -0.722 -2.174 13.247 1.00 0.00 C ATOM 1441 C SER A 91 0.795 -2.335 13.261 1.00 0.00 C ATOM 1442 O SER A 91 1.456 -1.996 14.243 1.00 0.00 O ATOM 1443 CB SER A 91 -1.387 -3.448 13.772 1.00 0.00 C ATOM 1444 OG SER A 91 -2.778 -3.257 13.963 1.00 0.00 O ATOM 0 H SER A 91 -2.089 -2.311 11.662 1.00 0.00 H new ATOM 0 HA SER A 91 -0.987 -1.340 13.897 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.222 -4.264 13.068 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.924 -3.741 14.714 1.00 0.00 H new ATOM 0 HG SER A 91 -3.179 -4.086 14.297 1.00 0.00 H new ATOM 1450 N ASP A 92 1.339 -2.853 12.166 1.00 0.00 N ATOM 1451 CA ASP A 92 2.778 -3.059 12.051 1.00 0.00 C ATOM 1452 C ASP A 92 3.502 -1.731 11.854 1.00 0.00 C ATOM 1453 O ASP A 92 4.212 -1.262 12.745 1.00 0.00 O ATOM 1454 CB ASP A 92 3.089 -4.001 10.887 1.00 0.00 C ATOM 1455 CG ASP A 92 4.568 -4.314 10.774 1.00 0.00 C ATOM 1456 OD1 ASP A 92 5.386 -3.469 11.193 1.00 0.00 O ATOM 1457 OD2 ASP A 92 4.907 -5.404 10.267 1.00 0.00 O ATOM 0 H ASP A 92 0.805 -3.138 11.345 1.00 0.00 H new ATOM 0 HA ASP A 92 3.131 -3.511 12.978 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.533 -4.930 11.017 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.744 -3.550 9.957 1.00 0.00 H new ATOM 1462 N CYS A 93 3.319 -1.130 10.684 1.00 0.00 N ATOM 1463 CA CYS A 93 3.956 0.143 10.369 1.00 0.00 C ATOM 1464 C CYS A 93 2.984 1.077 9.656 1.00 0.00 C ATOM 1465 O CYS A 93 1.836 0.714 9.400 1.00 0.00 O ATOM 1466 CB CYS A 93 5.195 -0.083 9.501 1.00 0.00 C ATOM 1467 SG CYS A 93 4.869 -0.034 7.723 1.00 0.00 S ATOM 0 H CYS A 93 2.734 -1.504 9.937 1.00 0.00 H new ATOM 0 HA CYS A 93 4.258 0.610 11.306 1.00 0.00 H new ATOM 0 HB2 CYS A 93 5.939 0.675 9.744 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.631 -1.050 9.753 1.00 0.00 H new ATOM 0 HG CYS A 93 5.977 -0.233 7.073 1.00 0.00 H new ATOM 1473 N GLU A 94 3.451 2.280 9.339 1.00 0.00 N ATOM 1474 CA GLU A 94 2.621 3.266 8.657 1.00 0.00 C ATOM 1475 C GLU A 94 3.294 3.752 7.377 1.00 0.00 C ATOM 1476 O GLU A 94 4.468 4.123 7.382 1.00 0.00 O ATOM 1477 CB GLU A 94 2.338 4.454 9.580 1.00 0.00 C ATOM 1478 CG GLU A 94 1.260 5.388 9.058 1.00 0.00 C ATOM 1479 CD GLU A 94 0.788 6.378 10.105 1.00 0.00 C ATOM 1480 OE1 GLU A 94 1.323 6.347 11.233 1.00 0.00 O ATOM 1481 OE2 GLU A 94 -0.115 7.183 9.797 1.00 0.00 O ATOM 0 H GLU A 94 4.399 2.595 9.543 1.00 0.00 H new ATOM 0 HA GLU A 94 1.678 2.788 8.392 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.039 4.079 10.559 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.259 5.020 9.723 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.643 5.933 8.195 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.411 4.799 8.712 1.00 0.00 H new ATOM 1488 N CYS A 95 2.542 3.747 6.282 1.00 0.00 N ATOM 1489 CA CYS A 95 3.065 4.186 4.993 1.00 0.00 C ATOM 1490 C CYS A 95 1.981 4.877 4.173 1.00 0.00 C ATOM 1491 O CYS A 95 0.811 4.894 4.559 1.00 0.00 O ATOM 1492 CB CYS A 95 3.629 2.995 4.216 1.00 0.00 C ATOM 1493 SG CYS A 95 2.367 1.886 3.547 1.00 0.00 S ATOM 0 H CYS A 95 1.568 3.444 6.261 1.00 0.00 H new ATOM 0 HA CYS A 95 3.866 4.902 5.178 1.00 0.00 H new ATOM 0 HB2 CYS A 95 4.242 3.368 3.395 1.00 0.00 H new ATOM 0 HB3 CYS A 95 4.287 2.425 4.872 1.00 0.00 H new ATOM 0 HG CYS A 95 1.759 2.468 2.556 1.00 0.00 H new ATOM 1499 N LEU A 96 2.376 5.447 3.040 1.00 0.00 N ATOM 1500 CA LEU A 96 1.438 6.141 2.165 1.00 0.00 C ATOM 1501 C LEU A 96 1.323 5.433 0.818 1.00 0.00 C ATOM 1502 O LEU A 96 2.100 4.528 0.513 1.00 0.00 O ATOM 1503 CB LEU A 96 1.882 7.590 1.956 1.00 0.00 C ATOM 1504 CG LEU A 96 1.981 8.450 3.216 1.00 0.00 C ATOM 1505 CD1 LEU A 96 2.854 9.669 2.963 1.00 0.00 C ATOM 1506 CD2 LEU A 96 0.596 8.871 3.686 1.00 0.00 C ATOM 0 H LEU A 96 3.340 5.442 2.706 1.00 0.00 H new ATOM 0 HA LEU A 96 0.459 6.133 2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.856 7.583 1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.184 8.067 1.268 1.00 0.00 H new ATOM 0 HG LEU A 96 2.444 7.855 4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.913 10.269 3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.855 9.347 2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.421 10.266 2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.687 9.482 4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.106 9.448 2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.002 7.984 3.909 1.00 0.00 H new ATOM 1518 N PHE A 97 0.351 5.854 0.016 1.00 0.00 N ATOM 1519 CA PHE A 97 0.135 5.261 -1.299 1.00 0.00 C ATOM 1520 C PHE A 97 -0.419 6.293 -2.277 1.00 0.00 C ATOM 1521 O PHE A 97 -1.256 7.119 -1.914 1.00 0.00 O ATOM 1522 CB PHE A 97 -0.824 4.074 -1.196 1.00 0.00 C ATOM 1523 CG PHE A 97 -0.215 2.866 -0.542 1.00 0.00 C ATOM 1524 CD1 PHE A 97 0.588 2.001 -1.268 1.00 0.00 C ATOM 1525 CD2 PHE A 97 -0.446 2.596 0.797 1.00 0.00 C ATOM 1526 CE1 PHE A 97 1.151 0.889 -0.669 1.00 0.00 C ATOM 1527 CE2 PHE A 97 0.114 1.486 1.400 1.00 0.00 C ATOM 1528 CZ PHE A 97 0.912 0.630 0.666 1.00 0.00 C ATOM 0 H PHE A 97 -0.299 6.603 0.253 1.00 0.00 H new ATOM 0 HA PHE A 97 1.097 4.911 -1.674 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.706 4.377 -0.631 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.163 3.804 -2.196 1.00 0.00 H new ATOM 0 HD1 PHE A 97 0.776 2.197 -2.313 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.071 3.260 1.376 1.00 0.00 H new ATOM 0 HE1 PHE A 97 1.777 0.224 -1.245 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.072 1.288 2.445 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.348 -0.240 1.135 1.00 0.00 H new ATOM 1538 N GLN A 98 0.055 6.239 -3.517 1.00 0.00 N ATOM 1539 CA GLN A 98 -0.392 7.170 -4.547 1.00 0.00 C ATOM 1540 C GLN A 98 -1.206 6.449 -5.616 1.00 0.00 C ATOM 1541 O GLN A 98 -1.197 5.221 -5.694 1.00 0.00 O ATOM 1542 CB GLN A 98 0.808 7.869 -5.187 1.00 0.00 C ATOM 1543 CG GLN A 98 0.422 8.908 -6.228 1.00 0.00 C ATOM 1544 CD GLN A 98 1.514 9.934 -6.461 1.00 0.00 C ATOM 1545 OE1 GLN A 98 1.977 10.120 -7.587 1.00 0.00 O ATOM 1546 NE2 GLN A 98 1.932 10.607 -5.395 1.00 0.00 N ATOM 0 H GLN A 98 0.748 5.561 -3.833 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.029 7.918 -4.074 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.397 8.350 -4.406 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.448 7.120 -5.653 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.193 8.407 -7.168 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.487 9.417 -5.908 1.00 0.00 H new ATOM 0 HE21 GLN A 98 1.520 10.421 -4.481 1.00 0.00 H new ATOM 0 HE22 GLN A 98 2.665 11.310 -5.491 1.00 0.00 H new ATOM 1555 N ALA A 99 -1.909 7.221 -6.438 1.00 0.00 N ATOM 1556 CA ALA A 99 -2.728 6.656 -7.504 1.00 0.00 C ATOM 1557 C ALA A 99 -2.704 7.544 -8.743 1.00 0.00 C ATOM 1558 O ALA A 99 -2.559 8.762 -8.642 1.00 0.00 O ATOM 1559 CB ALA A 99 -4.157 6.456 -7.022 1.00 0.00 C ATOM 0 H ALA A 99 -1.928 8.240 -6.386 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.310 5.687 -7.776 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.757 6.034 -7.828 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.162 5.775 -6.171 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.577 7.416 -6.721 1.00 0.00 H new ATOM 1565 N GLU A 100 -2.848 6.926 -9.911 1.00 0.00 N ATOM 1566 CA GLU A 100 -2.842 7.662 -11.170 1.00 0.00 C ATOM 1567 C GLU A 100 -4.131 8.461 -11.340 1.00 0.00 C ATOM 1568 O GLU A 100 -4.103 9.683 -11.485 1.00 0.00 O ATOM 1569 CB GLU A 100 -2.665 6.701 -12.348 1.00 0.00 C ATOM 1570 CG GLU A 100 -1.217 6.516 -12.770 1.00 0.00 C ATOM 1571 CD GLU A 100 -0.716 7.646 -13.647 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -1.315 7.878 -14.718 1.00 0.00 O ATOM 1573 OE2 GLU A 100 0.276 8.300 -13.262 1.00 0.00 O ATOM 0 H GLU A 100 -2.970 5.918 -10.012 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.004 8.358 -11.150 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.084 5.731 -12.081 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.238 7.072 -13.198 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.590 6.445 -11.881 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.117 5.573 -13.307 1.00 0.00 H new ATOM 1580 N ASP A 101 -5.260 7.760 -11.321 1.00 0.00 N ATOM 1581 CA ASP A 101 -6.561 8.403 -11.473 1.00 0.00 C ATOM 1582 C ASP A 101 -7.408 8.215 -10.218 1.00 0.00 C ATOM 1583 O ASP A 101 -7.326 7.185 -9.550 1.00 0.00 O ATOM 1584 CB ASP A 101 -7.295 7.835 -12.689 1.00 0.00 C ATOM 1585 CG ASP A 101 -6.762 8.387 -13.996 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -5.531 8.340 -14.202 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -7.575 8.868 -14.814 1.00 0.00 O ATOM 0 H ASP A 101 -5.301 6.748 -11.202 1.00 0.00 H new ATOM 0 HA ASP A 101 -6.397 9.470 -11.623 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -7.202 6.749 -12.692 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -8.358 8.063 -12.608 1.00 0.00 H new ATOM 1592 N ARG A 102 -8.222 9.219 -9.905 1.00 0.00 N ATOM 1593 CA ARG A 102 -9.083 9.166 -8.730 1.00 0.00 C ATOM 1594 C ARG A 102 -9.770 7.808 -8.620 1.00 0.00 C ATOM 1595 O ARG A 102 -9.597 7.091 -7.634 1.00 0.00 O ATOM 1596 CB ARG A 102 -10.132 10.277 -8.789 1.00 0.00 C ATOM 1597 CG ARG A 102 -11.190 10.175 -7.702 1.00 0.00 C ATOM 1598 CD ARG A 102 -11.967 11.474 -7.558 1.00 0.00 C ATOM 1599 NE ARG A 102 -12.849 11.713 -8.697 1.00 0.00 N ATOM 1600 CZ ARG A 102 -13.919 12.500 -8.645 1.00 0.00 C ATOM 1601 NH1 ARG A 102 -14.236 13.120 -7.517 1.00 0.00 N ATOM 1602 NH2 ARG A 102 -14.673 12.668 -9.724 1.00 0.00 N ATOM 0 H ARG A 102 -8.303 10.078 -10.449 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.460 9.311 -7.848 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.632 11.242 -8.708 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.621 10.252 -9.763 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.878 9.363 -7.937 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -10.715 9.926 -6.753 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -12.558 11.444 -6.642 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.269 12.305 -7.460 1.00 0.00 H new ATOM 0 HE ARG A 102 -12.632 11.251 -9.580 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -13.658 12.994 -6.686 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -15.058 13.723 -7.480 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -14.432 12.193 -10.594 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -15.494 13.272 -9.684 1.00 0.00 H new ATOM 1616 N ASP A 103 -10.550 7.462 -9.638 1.00 0.00 N ATOM 1617 CA ASP A 103 -11.264 6.190 -9.657 1.00 0.00 C ATOM 1618 C ASP A 103 -10.394 5.071 -9.093 1.00 0.00 C ATOM 1619 O ASP A 103 -10.822 4.323 -8.214 1.00 0.00 O ATOM 1620 CB ASP A 103 -11.698 5.846 -11.083 1.00 0.00 C ATOM 1621 CG ASP A 103 -12.323 7.028 -11.799 1.00 0.00 C ATOM 1622 OD1 ASP A 103 -11.566 7.877 -12.314 1.00 0.00 O ATOM 1623 OD2 ASP A 103 -13.568 7.103 -11.845 1.00 0.00 O ATOM 0 H ASP A 103 -10.704 8.044 -10.461 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.150 6.289 -9.030 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -10.834 5.498 -11.649 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -12.412 5.023 -11.054 1.00 0.00 H new ATOM 1628 N ASP A 104 -9.174 4.962 -9.606 1.00 0.00 N ATOM 1629 CA ASP A 104 -8.244 3.934 -9.153 1.00 0.00 C ATOM 1630 C ASP A 104 -8.011 4.035 -7.649 1.00 0.00 C ATOM 1631 O ASP A 104 -8.056 3.033 -6.935 1.00 0.00 O ATOM 1632 CB ASP A 104 -6.913 4.057 -9.897 1.00 0.00 C ATOM 1633 CG ASP A 104 -6.992 3.532 -11.317 1.00 0.00 C ATOM 1634 OD1 ASP A 104 -8.103 3.527 -11.886 1.00 0.00 O ATOM 1635 OD2 ASP A 104 -5.943 3.125 -11.859 1.00 0.00 O ATOM 0 H ASP A 104 -8.806 5.572 -10.336 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.684 2.961 -9.369 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -6.606 5.103 -9.916 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -6.144 3.509 -9.353 1.00 0.00 H new ATOM 1640 N MET A 105 -7.763 5.251 -7.174 1.00 0.00 N ATOM 1641 CA MET A 105 -7.524 5.483 -5.754 1.00 0.00 C ATOM 1642 C MET A 105 -8.691 4.971 -4.916 1.00 0.00 C ATOM 1643 O MET A 105 -8.508 4.155 -4.011 1.00 0.00 O ATOM 1644 CB MET A 105 -7.305 6.973 -5.489 1.00 0.00 C ATOM 1645 CG MET A 105 -7.074 7.302 -4.023 1.00 0.00 C ATOM 1646 SD MET A 105 -8.606 7.666 -3.143 1.00 0.00 S ATOM 1647 CE MET A 105 -8.875 9.370 -3.623 1.00 0.00 C ATOM 0 H MET A 105 -7.722 6.091 -7.751 1.00 0.00 H new ATOM 0 HA MET A 105 -6.626 4.935 -5.467 1.00 0.00 H new ATOM 0 HB2 MET A 105 -6.448 7.315 -6.069 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.173 7.528 -5.845 1.00 0.00 H new ATOM 0 HG2 MET A 105 -6.573 6.463 -3.541 1.00 0.00 H new ATOM 0 HG3 MET A 105 -6.404 8.159 -3.948 1.00 0.00 H new ATOM 0 HE1 MET A 105 -9.789 9.739 -3.157 1.00 0.00 H new ATOM 0 HE2 MET A 105 -8.030 9.977 -3.297 1.00 0.00 H new ATOM 0 HE3 MET A 105 -8.970 9.432 -4.707 1.00 0.00 H new ATOM 1657 N LEU A 106 -9.890 5.455 -5.221 1.00 0.00 N ATOM 1658 CA LEU A 106 -11.087 5.046 -4.495 1.00 0.00 C ATOM 1659 C LEU A 106 -11.200 3.525 -4.443 1.00 0.00 C ATOM 1660 O LEU A 106 -11.539 2.953 -3.408 1.00 0.00 O ATOM 1661 CB LEU A 106 -12.334 5.639 -5.153 1.00 0.00 C ATOM 1662 CG LEU A 106 -12.624 7.108 -4.841 1.00 0.00 C ATOM 1663 CD1 LEU A 106 -12.883 7.296 -3.354 1.00 0.00 C ATOM 1664 CD2 LEU A 106 -11.470 7.988 -5.299 1.00 0.00 C ATOM 0 H LEU A 106 -10.059 6.131 -5.966 1.00 0.00 H new ATOM 0 HA LEU A 106 -11.009 5.421 -3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -12.237 5.530 -6.233 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -13.197 5.047 -4.849 1.00 0.00 H new ATOM 0 HG LEU A 106 -13.520 7.406 -5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -13.087 8.347 -3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -13.742 6.695 -3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -12.006 6.981 -2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -11.693 9.030 -5.069 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -10.558 7.690 -4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.331 7.875 -6.374 1.00 0.00 H new ATOM 1676 N ALA A 107 -10.912 2.877 -5.567 1.00 0.00 N ATOM 1677 CA ALA A 107 -10.977 1.423 -5.648 1.00 0.00 C ATOM 1678 C ALA A 107 -10.103 0.774 -4.581 1.00 0.00 C ATOM 1679 O ALA A 107 -10.538 -0.139 -3.879 1.00 0.00 O ATOM 1680 CB ALA A 107 -10.559 0.953 -7.033 1.00 0.00 C ATOM 0 H ALA A 107 -10.632 3.336 -6.434 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.008 1.119 -5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -10.612 -0.135 -7.080 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.228 1.381 -7.780 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -9.537 1.275 -7.234 1.00 0.00 H new ATOM 1686 N TRP A 108 -8.868 1.250 -4.464 1.00 0.00 N ATOM 1687 CA TRP A 108 -7.932 0.714 -3.482 1.00 0.00 C ATOM 1688 C TRP A 108 -8.475 0.880 -2.067 1.00 0.00 C ATOM 1689 O TRP A 108 -8.679 -0.102 -1.352 1.00 0.00 O ATOM 1690 CB TRP A 108 -6.576 1.411 -3.606 1.00 0.00 C ATOM 1691 CG TRP A 108 -5.680 0.787 -4.633 1.00 0.00 C ATOM 1692 CD1 TRP A 108 -5.337 1.309 -5.847 1.00 0.00 C ATOM 1693 CD2 TRP A 108 -5.015 -0.477 -4.534 1.00 0.00 C ATOM 1694 NE1 TRP A 108 -4.498 0.445 -6.510 1.00 0.00 N ATOM 1695 CE2 TRP A 108 -4.284 -0.657 -5.725 1.00 0.00 C ATOM 1696 CE3 TRP A 108 -4.963 -1.473 -3.555 1.00 0.00 C ATOM 1697 CZ2 TRP A 108 -3.515 -1.793 -5.961 1.00 0.00 C ATOM 1698 CZ3 TRP A 108 -4.199 -2.600 -3.791 1.00 0.00 C ATOM 1699 CH2 TRP A 108 -3.482 -2.753 -4.986 1.00 0.00 C ATOM 0 H TRP A 108 -8.492 2.006 -5.037 1.00 0.00 H new ATOM 0 HA TRP A 108 -7.805 -0.350 -3.680 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -6.736 2.458 -3.862 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -6.076 1.392 -2.638 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -5.675 2.261 -6.230 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.100 0.599 -7.436 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -5.510 -1.364 -2.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -2.963 -1.913 -6.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -4.153 -3.377 -3.042 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -2.893 -3.645 -5.140 1.00 0.00 H new ATOM 1710 N ILE A 109 -8.706 2.126 -1.668 1.00 0.00 N ATOM 1711 CA ILE A 109 -9.226 2.418 -0.338 1.00 0.00 C ATOM 1712 C ILE A 109 -10.314 1.426 0.057 1.00 0.00 C ATOM 1713 O ILE A 109 -10.248 0.804 1.118 1.00 0.00 O ATOM 1714 CB ILE A 109 -9.797 3.847 -0.258 1.00 0.00 C ATOM 1715 CG1 ILE A 109 -8.704 4.874 -0.563 1.00 0.00 C ATOM 1716 CG2 ILE A 109 -10.401 4.100 1.115 1.00 0.00 C ATOM 1717 CD1 ILE A 109 -9.184 6.306 -0.491 1.00 0.00 C ATOM 0 H ILE A 109 -8.541 2.950 -2.247 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.389 2.330 0.354 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.585 3.950 -1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -7.883 4.739 0.141 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.305 4.683 -1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.800 5.114 1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.204 3.386 1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.632 3.982 1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.357 6.979 -0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.985 6.458 -1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.557 6.515 0.512 1.00 0.00 H new ATOM 1729 N LYS A 110 -11.315 1.280 -0.804 1.00 0.00 N ATOM 1730 CA LYS A 110 -12.418 0.360 -0.549 1.00 0.00 C ATOM 1731 C LYS A 110 -11.908 -1.069 -0.389 1.00 0.00 C ATOM 1732 O LYS A 110 -12.042 -1.672 0.676 1.00 0.00 O ATOM 1733 CB LYS A 110 -13.438 0.425 -1.687 1.00 0.00 C ATOM 1734 CG LYS A 110 -14.786 -0.179 -1.331 1.00 0.00 C ATOM 1735 CD LYS A 110 -15.908 0.442 -2.147 1.00 0.00 C ATOM 1736 CE LYS A 110 -16.541 1.618 -1.418 1.00 0.00 C ATOM 1737 NZ LYS A 110 -15.887 2.908 -1.774 1.00 0.00 N ATOM 0 H LYS A 110 -11.386 1.788 -1.686 1.00 0.00 H new ATOM 0 HA LYS A 110 -12.902 0.661 0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.581 1.466 -1.977 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -13.034 -0.095 -2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -14.761 -1.255 -1.505 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.983 -0.032 -0.269 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.519 0.776 -3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.668 -0.311 -2.355 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.602 1.669 -1.663 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -16.470 1.459 -0.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -16.497 3.698 -1.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -14.972 2.980 -1.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -15.734 2.948 -2.802 1.00 0.00 H new ATOM 1751 N THR A 111 -11.322 -1.606 -1.455 1.00 0.00 N ATOM 1752 CA THR A 111 -10.792 -2.963 -1.433 1.00 0.00 C ATOM 1753 C THR A 111 -10.051 -3.243 -0.131 1.00 0.00 C ATOM 1754 O THR A 111 -10.422 -4.143 0.624 1.00 0.00 O ATOM 1755 CB THR A 111 -9.838 -3.213 -2.617 1.00 0.00 C ATOM 1756 OG1 THR A 111 -10.513 -2.954 -3.853 1.00 0.00 O ATOM 1757 CG2 THR A 111 -9.323 -4.644 -2.604 1.00 0.00 C ATOM 0 H THR A 111 -11.203 -1.121 -2.344 1.00 0.00 H new ATOM 0 HA THR A 111 -11.645 -3.637 -1.515 1.00 0.00 H new ATOM 0 HB THR A 111 -8.988 -2.537 -2.520 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.563 -1.987 -4.002 1.00 0.00 H new ATOM 0 HG21 THR A 111 -8.652 -4.797 -3.449 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.784 -4.828 -1.675 1.00 0.00 H new ATOM 0 HG23 THR A 111 -10.164 -5.334 -2.679 1.00 0.00 H new ATOM 1765 N ILE A 112 -9.004 -2.468 0.127 1.00 0.00 N ATOM 1766 CA ILE A 112 -8.212 -2.632 1.341 1.00 0.00 C ATOM 1767 C ILE A 112 -9.086 -2.522 2.586 1.00 0.00 C ATOM 1768 O ILE A 112 -9.130 -3.438 3.407 1.00 0.00 O ATOM 1769 CB ILE A 112 -7.085 -1.586 1.424 1.00 0.00 C ATOM 1770 CG1 ILE A 112 -6.239 -1.613 0.149 1.00 0.00 C ATOM 1771 CG2 ILE A 112 -6.217 -1.838 2.647 1.00 0.00 C ATOM 1772 CD1 ILE A 112 -5.581 -0.288 -0.167 1.00 0.00 C ATOM 0 H ILE A 112 -8.684 -1.720 -0.488 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.769 -3.627 1.297 1.00 0.00 H new ATOM 0 HB ILE A 112 -7.534 -0.597 1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.468 -2.377 0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.870 -1.905 -0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -5.425 -1.090 2.691 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -6.829 -1.773 3.547 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -5.774 -2.832 2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.998 -0.381 -1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -6.347 0.476 -0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -4.923 -0.003 0.654 1.00 0.00 H new ATOM 1784 N GLN A 113 -9.780 -1.397 2.717 1.00 0.00 N ATOM 1785 CA GLN A 113 -10.653 -1.168 3.862 1.00 0.00 C ATOM 1786 C GLN A 113 -11.535 -2.384 4.126 1.00 0.00 C ATOM 1787 O GLN A 113 -11.768 -2.755 5.276 1.00 0.00 O ATOM 1788 CB GLN A 113 -11.525 0.067 3.627 1.00 0.00 C ATOM 1789 CG GLN A 113 -10.837 1.374 3.985 1.00 0.00 C ATOM 1790 CD GLN A 113 -11.812 2.441 4.442 1.00 0.00 C ATOM 1791 OE1 GLN A 113 -12.763 2.158 5.172 1.00 0.00 O ATOM 1792 NE2 GLN A 113 -11.582 3.677 4.015 1.00 0.00 N ATOM 0 H GLN A 113 -9.755 -0.630 2.045 1.00 0.00 H new ATOM 0 HA GLN A 113 -10.025 -1.000 4.737 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.822 0.098 2.579 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.438 -0.026 4.215 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -10.108 1.192 4.774 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -10.285 1.739 3.119 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -10.782 3.867 3.411 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -12.205 4.436 4.291 1.00 0.00 H new ATOM 1801 N GLU A 114 -12.022 -3.000 3.053 1.00 0.00 N ATOM 1802 CA GLU A 114 -12.879 -4.174 3.170 1.00 0.00 C ATOM 1803 C GLU A 114 -12.145 -5.316 3.868 1.00 0.00 C ATOM 1804 O GLU A 114 -12.664 -5.921 4.805 1.00 0.00 O ATOM 1805 CB GLU A 114 -13.353 -4.627 1.788 1.00 0.00 C ATOM 1806 CG GLU A 114 -14.546 -3.843 1.267 1.00 0.00 C ATOM 1807 CD GLU A 114 -15.864 -4.357 1.814 1.00 0.00 C ATOM 1808 OE1 GLU A 114 -15.989 -5.585 2.005 1.00 0.00 O ATOM 1809 OE2 GLU A 114 -16.771 -3.532 2.050 1.00 0.00 O ATOM 0 H GLU A 114 -11.838 -2.706 2.094 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.746 -3.901 3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.529 -4.531 1.081 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.614 -5.684 1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -14.431 -2.793 1.534 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.563 -3.895 0.178 1.00 0.00 H new ATOM 1816 N SER A 115 -10.934 -5.605 3.402 1.00 0.00 N ATOM 1817 CA SER A 115 -10.129 -6.677 3.977 1.00 0.00 C ATOM 1818 C SER A 115 -9.873 -6.428 5.460 1.00 0.00 C ATOM 1819 O SER A 115 -9.904 -7.354 6.270 1.00 0.00 O ATOM 1820 CB SER A 115 -8.799 -6.801 3.231 1.00 0.00 C ATOM 1821 OG SER A 115 -7.964 -7.773 3.836 1.00 0.00 O ATOM 0 H SER A 115 -10.489 -5.112 2.628 1.00 0.00 H new ATOM 0 HA SER A 115 -10.683 -7.610 3.874 1.00 0.00 H new ATOM 0 HB2 SER A 115 -8.985 -7.073 2.192 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.292 -5.836 3.222 1.00 0.00 H new ATOM 0 HG SER A 115 -7.527 -8.308 3.140 1.00 0.00 H new ATOM 1827 N SER A 116 -9.620 -5.170 5.807 1.00 0.00 N ATOM 1828 CA SER A 116 -9.354 -4.798 7.192 1.00 0.00 C ATOM 1829 C SER A 116 -10.629 -4.865 8.027 1.00 0.00 C ATOM 1830 O SER A 116 -10.579 -5.048 9.242 1.00 0.00 O ATOM 1831 CB SER A 116 -8.760 -3.390 7.259 1.00 0.00 C ATOM 1832 OG SER A 116 -9.747 -2.407 7.001 1.00 0.00 O ATOM 0 H SER A 116 -9.594 -4.391 5.149 1.00 0.00 H new ATOM 0 HA SER A 116 -8.635 -5.508 7.601 1.00 0.00 H new ATOM 0 HB2 SER A 116 -8.324 -3.222 8.244 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.952 -3.298 6.533 1.00 0.00 H new ATOM 0 HG SER A 116 -10.436 -2.781 6.413 1.00 0.00 H new ATOM 1838 N ASN A 117 -11.771 -4.714 7.364 1.00 0.00 N ATOM 1839 CA ASN A 117 -13.061 -4.756 8.044 1.00 0.00 C ATOM 1840 C ASN A 117 -13.512 -6.196 8.265 1.00 0.00 C ATOM 1841 O ASN A 117 -13.177 -7.090 7.487 1.00 0.00 O ATOM 1842 CB ASN A 117 -14.114 -3.999 7.232 1.00 0.00 C ATOM 1843 CG ASN A 117 -15.422 -3.846 7.982 1.00 0.00 C ATOM 1844 OD1 ASN A 117 -16.354 -4.628 7.794 1.00 0.00 O ATOM 1845 ND2 ASN A 117 -15.498 -2.834 8.839 1.00 0.00 N ATOM 0 H ASN A 117 -11.830 -4.562 6.357 1.00 0.00 H new ATOM 0 HA ASN A 117 -12.947 -4.276 9.016 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -13.729 -3.013 6.973 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -14.295 -4.526 6.295 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -16.354 -2.681 9.373 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -14.701 -2.210 8.963 1.00 0.00 H new ATOM 1852 N LEU A 118 -14.274 -6.414 9.331 1.00 0.00 N ATOM 1853 CA LEU A 118 -14.773 -7.746 9.656 1.00 0.00 C ATOM 1854 C LEU A 118 -15.968 -8.108 8.781 1.00 0.00 C ATOM 1855 O LEU A 118 -16.975 -8.620 9.268 1.00 0.00 O ATOM 1856 CB LEU A 118 -15.167 -7.819 11.132 1.00 0.00 C ATOM 1857 CG LEU A 118 -14.054 -7.524 12.139 1.00 0.00 C ATOM 1858 CD1 LEU A 118 -14.021 -6.043 12.480 1.00 0.00 C ATOM 1859 CD2 LEU A 118 -14.240 -8.359 13.398 1.00 0.00 C ATOM 0 H LEU A 118 -14.560 -5.686 9.985 1.00 0.00 H new ATOM 0 HA LEU A 118 -13.975 -8.463 9.464 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -15.982 -7.116 11.305 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -15.558 -8.816 11.334 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.100 -7.792 11.686 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -13.223 -5.853 13.198 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.840 -5.465 11.574 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -14.977 -5.748 12.913 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -13.440 -8.137 14.104 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -15.201 -8.122 13.853 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -14.212 -9.418 13.140 1.00 0.00 H new ATOM 1871 N ASN A 119 -15.848 -7.841 7.484 1.00 0.00 N ATOM 1872 CA ASN A 119 -16.918 -8.141 6.540 1.00 0.00 C ATOM 1873 C ASN A 119 -18.286 -7.947 7.188 1.00 0.00 C ATOM 1874 O ASN A 119 -19.206 -8.733 6.966 1.00 0.00 O ATOM 1875 CB ASN A 119 -16.785 -9.575 6.024 1.00 0.00 C ATOM 1876 CG ASN A 119 -16.418 -10.553 7.123 1.00 0.00 C ATOM 1877 OD1 ASN A 119 -17.273 -11.270 7.642 1.00 0.00 O ATOM 1878 ND2 ASN A 119 -15.140 -10.586 7.482 1.00 0.00 N ATOM 0 H ASN A 119 -15.021 -7.418 7.063 1.00 0.00 H new ATOM 0 HA ASN A 119 -16.832 -7.451 5.701 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -17.726 -9.882 5.567 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -16.025 -9.608 5.243 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -14.833 -11.224 8.216 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -14.466 -9.973 7.024 1.00 0.00 H new ATOM 1885 N SER A 120 -18.411 -6.894 7.990 1.00 0.00 N ATOM 1886 CA SER A 120 -19.665 -6.598 8.673 1.00 0.00 C ATOM 1887 C SER A 120 -20.777 -6.314 7.668 1.00 0.00 C ATOM 1888 O SER A 120 -20.727 -5.330 6.931 1.00 0.00 O ATOM 1889 CB SER A 120 -19.490 -5.401 9.609 1.00 0.00 C ATOM 1890 OG SER A 120 -19.426 -4.188 8.879 1.00 0.00 O ATOM 0 H SER A 120 -17.659 -6.232 8.183 1.00 0.00 H new ATOM 0 HA SER A 120 -19.945 -7.472 9.261 1.00 0.00 H new ATOM 0 HB2 SER A 120 -20.321 -5.362 10.313 1.00 0.00 H new ATOM 0 HB3 SER A 120 -18.580 -5.524 10.196 1.00 0.00 H new ATOM 0 HG SER A 120 -19.569 -4.371 7.927 1.00 0.00 H new ATOM 1896 N GLY A 121 -21.782 -7.185 7.645 1.00 0.00 N ATOM 1897 CA GLY A 121 -22.893 -7.011 6.727 1.00 0.00 C ATOM 1898 C GLY A 121 -22.490 -7.224 5.282 1.00 0.00 C ATOM 1899 O GLY A 121 -21.307 -7.307 4.951 1.00 0.00 O ATOM 0 H GLY A 121 -21.846 -8.007 8.245 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -23.687 -7.711 6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -23.302 -6.007 6.843 1.00 0.00 H new ATOM 1903 N PRO A 122 -23.489 -7.316 4.392 1.00 0.00 N ATOM 1904 CA PRO A 122 -23.257 -7.523 2.960 1.00 0.00 C ATOM 1905 C PRO A 122 -22.642 -6.299 2.289 1.00 0.00 C ATOM 1906 O PRO A 122 -22.852 -5.168 2.728 1.00 0.00 O ATOM 1907 CB PRO A 122 -24.660 -7.787 2.407 1.00 0.00 C ATOM 1908 CG PRO A 122 -25.578 -7.112 3.367 1.00 0.00 C ATOM 1909 CD PRO A 122 -24.923 -7.225 4.716 1.00 0.00 C ATOM 0 HA PRO A 122 -22.552 -8.333 2.775 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -24.772 -7.382 1.401 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -24.867 -8.855 2.346 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -25.730 -6.068 3.093 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -26.559 -7.587 3.369 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -25.140 -6.359 5.342 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -25.269 -8.105 5.258 1.00 0.00 H new ATOM 1917 N SER A 123 -21.884 -6.532 1.223 1.00 0.00 N ATOM 1918 CA SER A 123 -21.236 -5.448 0.494 1.00 0.00 C ATOM 1919 C SER A 123 -21.900 -5.233 -0.862 1.00 0.00 C ATOM 1920 O SER A 123 -22.072 -6.173 -1.638 1.00 0.00 O ATOM 1921 CB SER A 123 -19.748 -5.750 0.304 1.00 0.00 C ATOM 1922 OG SER A 123 -18.999 -5.362 1.443 1.00 0.00 O ATOM 0 H SER A 123 -21.703 -7.462 0.845 1.00 0.00 H new ATOM 0 HA SER A 123 -21.342 -4.535 1.080 1.00 0.00 H new ATOM 0 HB2 SER A 123 -19.611 -6.816 0.120 1.00 0.00 H new ATOM 0 HB3 SER A 123 -19.377 -5.224 -0.576 1.00 0.00 H new ATOM 0 HG SER A 123 -18.436 -4.592 1.218 1.00 0.00 H new ATOM 1928 N SER A 124 -22.271 -3.987 -1.142 1.00 0.00 N ATOM 1929 CA SER A 124 -22.920 -3.647 -2.402 1.00 0.00 C ATOM 1930 C SER A 124 -21.937 -3.752 -3.565 1.00 0.00 C ATOM 1931 O SER A 124 -20.726 -3.634 -3.381 1.00 0.00 O ATOM 1932 CB SER A 124 -23.501 -2.234 -2.336 1.00 0.00 C ATOM 1933 OG SER A 124 -23.864 -1.771 -3.626 1.00 0.00 O ATOM 0 H SER A 124 -22.133 -3.197 -0.512 1.00 0.00 H new ATOM 0 HA SER A 124 -23.730 -4.357 -2.568 1.00 0.00 H new ATOM 0 HB2 SER A 124 -24.375 -2.227 -1.684 1.00 0.00 H new ATOM 0 HB3 SER A 124 -22.769 -1.557 -1.896 1.00 0.00 H new ATOM 0 HG SER A 124 -24.234 -0.866 -3.557 1.00 0.00 H new ATOM 1939 N GLY A 125 -22.469 -3.974 -4.763 1.00 0.00 N ATOM 1940 CA GLY A 125 -21.626 -4.091 -5.938 1.00 0.00 C ATOM 1941 C GLY A 125 -21.915 -5.347 -6.737 1.00 0.00 C ATOM 1942 O GLY A 125 -23.009 -5.510 -7.275 1.00 0.00 O ATOM 0 H GLY A 125 -23.468 -4.075 -4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -21.772 -3.218 -6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -20.580 -4.091 -5.632 1.00 0.00 H new TER 1946 GLY A 125