USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 893 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 108 THR OG1 : rot 130:sc= -0.159! USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -6.78! C(o=-18!,f=-6.9!) USER MOD Set 2.1: A 40 HIS : no HE2:sc= -2.1! C(o=-2!,f=-7.8!) USER MOD Set 2.2: A 74 SER OG : rot 178:sc= 0.0627 USER MOD Set 3.1: A 37 LYS NZ :NH3+ -156:sc= -0.246 (180deg=-0.9) USER MOD Set 3.2: A 67 HIS : no HD1:sc= -0.748 X(o=-0.99,f=-0.93) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 144:sc= -0.352 (180deg=-2.76!) USER MOD Single : A 11 LYS NZ :NH3+ -115:sc= 0.977 (180deg=0.0904) USER MOD Single : A 12 ASN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -107:sc= 0.798 (180deg=-1.21) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -140:sc= 0.092 (180deg=-1.97) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.59 F(o=-6.8!,f=-1.6) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0284 USER MOD Single : A 41 TYR OH : rot -172:sc= -0.437 USER MOD Single : A 45 CYS SG : rot 45:sc= -2.99! USER MOD Single : A 47 GLN :FLIP amide:sc= -1.72! C(o=-3.2!,f=-1.7!) USER MOD Single : A 57 LYS NZ :NH3+ 145:sc= 1.26 (180deg=0.141!) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.561 F(o=-7.7!,f=-0.56) USER MOD Single : A 66 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.012) USER MOD Single : A 68 HIS : no HE2:sc= -4.22! C(o=-4.2!,f=-6.2!) USER MOD Single : A 70 THR OG1 : rot 103:sc= -4.02! USER MOD Single : A 77 TYR OH : rot 130:sc= -0.317 USER MOD Single : A 80 HIS : no HD1:sc= -0.162 K(o=-0.16,f=-3.1!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 48:sc= -2.98 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -98:sc= 0.888 USER MOD Single : A 90 LYS NZ :NH3+ -123:sc= -1.29 (180deg=-5.09!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -35:sc= -3.83 USER MOD Single : A 97 LYS NZ :NH3+ -145:sc= -0.712! (180deg=-1.47!) USER MOD Single : A 103 THR OG1 : rot 170:sc= -0.403! USER MOD Single : A 111 GLN : amide:sc= -0.0362 X(o=-0.036,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -136:sc= -0.586 (180deg=-3.51!) USER MOD Single : A 118 GLN : amide:sc= 1.16 K(o=1.2,f=-0.039) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -6.999 -8.175 85.956 1.00 0.00 N ATOM 44 CA LYS A 4 -6.919 -7.626 87.340 1.00 0.00 C ATOM 45 C LYS A 4 -6.425 -8.684 88.338 1.00 0.00 C ATOM 46 O LYS A 4 -5.376 -8.537 88.934 1.00 0.00 O ATOM 47 CB LYS A 4 -8.305 -7.137 87.764 1.00 0.00 C ATOM 48 CG LYS A 4 -8.790 -6.066 86.784 1.00 0.00 C ATOM 49 CD LYS A 4 -10.084 -5.438 87.305 1.00 0.00 C ATOM 50 CE LYS A 4 -10.562 -4.360 86.325 1.00 0.00 C ATOM 51 NZ LYS A 4 -11.688 -3.596 86.936 1.00 0.00 N ATOM 0 HA LYS A 4 -6.206 -6.802 87.341 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.006 -7.971 87.784 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.265 -6.730 88.774 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.026 -5.299 86.662 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.959 -6.508 85.802 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.851 -6.204 87.422 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.918 -5.001 88.290 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.741 -3.686 86.081 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.885 -4.820 85.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.012 -2.865 86.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.473 -4.244 87.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.365 -3.145 87.816 1.00 0.00 H new ATOM 65 N GLU A 5 -7.180 -9.729 88.552 1.00 0.00 N ATOM 66 CA GLU A 5 -6.755 -10.766 89.541 1.00 0.00 C ATOM 67 C GLU A 5 -5.433 -11.403 89.112 1.00 0.00 C ATOM 68 O GLU A 5 -4.630 -11.796 89.937 1.00 0.00 O ATOM 69 CB GLU A 5 -7.829 -11.859 89.640 1.00 0.00 C ATOM 70 CG GLU A 5 -7.619 -12.695 90.908 1.00 0.00 C ATOM 71 CD GLU A 5 -6.357 -13.549 90.768 1.00 0.00 C ATOM 72 OE1 GLU A 5 -6.125 -14.057 89.683 1.00 0.00 O ATOM 73 OE2 GLU A 5 -5.651 -13.690 91.751 1.00 0.00 O ATOM 0 H GLU A 5 -8.070 -9.910 88.087 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.623 -10.286 90.511 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.820 -11.405 89.655 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.786 -12.502 88.761 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.531 -12.040 91.775 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.484 -13.335 91.079 1.00 0.00 H new ATOM 80 N PHE A 6 -5.202 -11.528 87.833 1.00 0.00 N ATOM 81 CA PHE A 6 -3.938 -12.166 87.367 1.00 0.00 C ATOM 82 C PHE A 6 -2.735 -11.317 87.763 1.00 0.00 C ATOM 83 O PHE A 6 -1.778 -11.814 88.322 1.00 0.00 O ATOM 84 CB PHE A 6 -3.971 -12.330 85.844 1.00 0.00 C ATOM 85 CG PHE A 6 -2.633 -12.832 85.344 1.00 0.00 C ATOM 86 CD1 PHE A 6 -2.127 -14.052 85.806 1.00 0.00 C ATOM 87 CD2 PHE A 6 -1.909 -12.091 84.403 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.899 -14.529 85.330 1.00 0.00 C ATOM 89 CE2 PHE A 6 -0.683 -12.568 83.924 1.00 0.00 C ATOM 90 CZ PHE A 6 -0.176 -13.789 84.389 1.00 0.00 C ATOM 0 H PHE A 6 -5.832 -11.217 87.093 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.848 -13.145 87.837 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.758 -13.029 85.563 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.209 -11.376 85.373 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.684 -14.627 86.531 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.297 -11.149 84.045 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.510 -15.470 85.690 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -0.128 -11.995 83.196 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.770 -14.157 84.022 1.00 0.00 H new ATOM 100 N MET A 7 -2.752 -10.048 87.473 1.00 0.00 N ATOM 101 CA MET A 7 -1.576 -9.217 87.839 1.00 0.00 C ATOM 102 C MET A 7 -1.572 -8.961 89.348 1.00 0.00 C ATOM 103 O MET A 7 -0.545 -9.023 89.998 1.00 0.00 O ATOM 104 CB MET A 7 -1.598 -7.888 87.053 1.00 0.00 C ATOM 105 CG MET A 7 -2.330 -6.787 87.841 1.00 0.00 C ATOM 106 SD MET A 7 -2.621 -5.347 86.775 1.00 0.00 S ATOM 107 CE MET A 7 -3.770 -6.138 85.626 1.00 0.00 C ATOM 0 H MET A 7 -3.515 -9.557 87.007 1.00 0.00 H new ATOM 0 HA MET A 7 -0.662 -9.750 87.577 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.577 -7.570 86.842 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.090 -8.039 86.092 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.279 -7.168 88.218 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.738 -6.494 88.708 1.00 0.00 H new ATOM 0 HE1 MET A 7 -4.531 -5.420 85.321 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.225 -6.485 84.748 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.248 -6.987 86.116 1.00 0.00 H new ATOM 117 N TRP A 8 -2.707 -8.676 89.909 1.00 0.00 N ATOM 118 CA TRP A 8 -2.766 -8.419 91.373 1.00 0.00 C ATOM 119 C TRP A 8 -2.025 -9.526 92.129 1.00 0.00 C ATOM 120 O TRP A 8 -1.785 -9.415 93.313 1.00 0.00 O ATOM 121 CB TRP A 8 -4.231 -8.382 91.821 1.00 0.00 C ATOM 122 CG TRP A 8 -4.333 -7.773 93.183 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.233 -8.452 94.349 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.570 -6.377 93.539 1.00 0.00 C ATOM 125 NE1 TRP A 8 -4.377 -7.561 95.400 1.00 0.00 N ATOM 126 CE2 TRP A 8 -4.594 -6.271 94.953 1.00 0.00 C ATOM 127 CE3 TRP A 8 -4.763 -5.200 92.783 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -4.803 -5.049 95.591 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -4.976 -3.969 93.429 1.00 0.00 C ATOM 130 CH2 TRP A 8 -4.995 -3.895 94.829 1.00 0.00 C ATOM 0 H TRP A 8 -3.599 -8.609 89.419 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.291 -7.462 91.591 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.823 -7.805 91.110 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.642 -9.391 91.833 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.068 -9.515 94.445 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.329 -7.825 96.384 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.747 -5.245 91.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -4.816 -4.995 96.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -5.126 -3.075 92.843 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -5.158 -2.946 95.318 1.00 0.00 H new ATOM 141 N ALA A 9 -1.672 -10.591 91.454 1.00 0.00 N ATOM 142 CA ALA A 9 -0.954 -11.713 92.122 1.00 0.00 C ATOM 143 C ALA A 9 0.558 -11.434 92.149 1.00 0.00 C ATOM 144 O ALA A 9 1.199 -11.560 93.172 1.00 0.00 O ATOM 145 CB ALA A 9 -1.234 -13.009 91.350 1.00 0.00 C ATOM 0 H ALA A 9 -1.853 -10.730 90.460 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.305 -11.812 93.149 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.713 -13.838 91.830 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.306 -13.207 91.347 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.882 -12.905 90.324 1.00 0.00 H new ATOM 151 N LEU A 10 1.136 -11.051 91.040 1.00 0.00 N ATOM 152 CA LEU A 10 2.603 -10.761 91.028 1.00 0.00 C ATOM 153 C LEU A 10 2.940 -9.851 92.212 1.00 0.00 C ATOM 154 O LEU A 10 4.072 -9.742 92.641 1.00 0.00 O ATOM 155 CB LEU A 10 2.981 -9.983 89.758 1.00 0.00 C ATOM 156 CG LEU A 10 2.444 -10.670 88.486 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.939 -9.624 87.481 1.00 0.00 C ATOM 158 CD2 LEU A 10 3.568 -11.464 87.816 1.00 0.00 C ATOM 0 H LEU A 10 0.660 -10.927 90.147 1.00 0.00 H new ATOM 0 HA LEU A 10 3.141 -11.708 91.075 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.583 -8.970 89.820 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.066 -9.896 89.694 1.00 0.00 H new ATOM 0 HG LEU A 10 1.626 -11.329 88.776 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.564 -10.127 86.590 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.136 -9.042 87.934 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.758 -8.960 87.205 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.186 -11.948 86.917 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.380 -10.789 87.547 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.940 -12.221 88.506 1.00 0.00 H new ATOM 170 N LYS A 11 1.956 -9.147 92.677 1.00 0.00 N ATOM 171 CA LYS A 11 2.150 -8.151 93.777 1.00 0.00 C ATOM 172 C LYS A 11 2.112 -8.767 95.184 1.00 0.00 C ATOM 173 O LYS A 11 3.093 -8.767 95.903 1.00 0.00 O ATOM 174 CB LYS A 11 0.994 -7.166 93.677 1.00 0.00 C ATOM 175 CG LYS A 11 1.209 -5.974 94.620 1.00 0.00 C ATOM 176 CD LYS A 11 -0.125 -5.252 94.852 1.00 0.00 C ATOM 177 CE LYS A 11 -0.798 -4.949 93.513 1.00 0.00 C ATOM 178 NZ LYS A 11 -1.727 -3.796 93.684 1.00 0.00 N ATOM 0 H LYS A 11 0.997 -9.216 92.337 1.00 0.00 H new ATOM 0 HA LYS A 11 3.134 -7.699 93.653 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.901 -6.811 92.651 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.060 -7.669 93.927 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.617 -6.318 95.570 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.937 -5.285 94.191 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.780 -5.870 95.466 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.045 -4.325 95.401 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.046 -4.718 92.758 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.345 -5.824 93.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.705 -4.112 93.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.636 -3.417 94.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.489 -3.053 92.996 1.00 0.00 H new ATOM 192 N ASN A 12 0.964 -9.228 95.607 1.00 0.00 N ATOM 193 CA ASN A 12 0.833 -9.767 96.990 1.00 0.00 C ATOM 194 C ASN A 12 1.502 -11.132 97.081 1.00 0.00 C ATOM 195 O ASN A 12 1.115 -11.980 97.858 1.00 0.00 O ATOM 196 CB ASN A 12 -0.666 -9.890 97.324 1.00 0.00 C ATOM 197 CG ASN A 12 -1.102 -8.771 98.280 1.00 0.00 C ATOM 198 OD1 ASN A 12 -1.379 -9.018 99.434 1.00 0.00 O ATOM 199 ND2 ASN A 12 -1.184 -7.543 97.841 1.00 0.00 N ATOM 0 H ASN A 12 0.109 -9.254 95.051 1.00 0.00 H new ATOM 0 HA ASN A 12 1.319 -9.098 97.700 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.253 -9.841 96.407 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.864 -10.861 97.778 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -1.480 -6.796 98.469 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.952 -7.332 96.871 1.00 0.00 H new ATOM 206 N GLY A 13 2.521 -11.349 96.311 1.00 0.00 N ATOM 207 CA GLY A 13 3.218 -12.652 96.382 1.00 0.00 C ATOM 208 C GLY A 13 2.214 -13.793 96.194 1.00 0.00 C ATOM 209 O GLY A 13 2.481 -14.917 96.566 1.00 0.00 O ATOM 0 H GLY A 13 2.901 -10.683 95.638 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.989 -12.704 95.613 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.720 -12.753 97.344 1.00 0.00 H new ATOM 213 N ASP A 14 1.066 -13.527 95.602 1.00 0.00 N ATOM 214 CA ASP A 14 0.083 -14.631 95.376 1.00 0.00 C ATOM 215 C ASP A 14 0.672 -15.530 94.308 1.00 0.00 C ATOM 216 O ASP A 14 0.058 -15.870 93.316 1.00 0.00 O ATOM 217 CB ASP A 14 -1.271 -14.100 94.906 1.00 0.00 C ATOM 218 CG ASP A 14 -1.578 -12.759 95.565 1.00 0.00 C ATOM 219 OD1 ASP A 14 -0.714 -11.903 95.555 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.683 -12.614 96.064 1.00 0.00 O ATOM 0 H ASP A 14 0.776 -12.607 95.272 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.091 -15.165 96.310 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.267 -13.987 93.822 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.054 -14.819 95.148 1.00 0.00 H new ATOM 225 N LEU A 15 1.891 -15.876 94.515 1.00 0.00 N ATOM 226 CA LEU A 15 2.637 -16.714 93.561 1.00 0.00 C ATOM 227 C LEU A 15 1.799 -17.925 93.144 1.00 0.00 C ATOM 228 O LEU A 15 1.938 -18.450 92.059 1.00 0.00 O ATOM 229 CB LEU A 15 3.927 -17.127 94.265 1.00 0.00 C ATOM 230 CG LEU A 15 4.834 -17.986 93.374 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.344 -19.449 93.307 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.910 -17.384 91.966 1.00 0.00 C ATOM 0 H LEU A 15 2.426 -15.603 95.339 1.00 0.00 H new ATOM 0 HA LEU A 15 2.866 -16.173 92.643 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.469 -16.234 94.576 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.681 -17.682 95.170 1.00 0.00 H new ATOM 0 HG LEU A 15 5.830 -17.992 93.816 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.011 -20.027 92.667 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.341 -19.878 94.309 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.334 -19.476 92.897 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.556 -18.001 91.341 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.911 -17.348 91.531 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.317 -16.374 92.023 1.00 0.00 H new ATOM 244 N ASP A 16 0.921 -18.356 93.998 1.00 0.00 N ATOM 245 CA ASP A 16 0.050 -19.512 93.675 1.00 0.00 C ATOM 246 C ASP A 16 -0.914 -19.141 92.541 1.00 0.00 C ATOM 247 O ASP A 16 -1.356 -19.990 91.794 1.00 0.00 O ATOM 248 CB ASP A 16 -0.766 -19.876 94.908 1.00 0.00 C ATOM 249 CG ASP A 16 0.142 -20.494 95.972 1.00 0.00 C ATOM 250 OD1 ASP A 16 1.229 -20.922 95.622 1.00 0.00 O ATOM 251 OD2 ASP A 16 -0.271 -20.537 97.121 1.00 0.00 O ATOM 0 H ASP A 16 0.768 -17.950 94.921 1.00 0.00 H new ATOM 0 HA ASP A 16 0.670 -20.353 93.365 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.254 -18.987 95.307 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.554 -20.579 94.638 1.00 0.00 H new ATOM 256 N GLU A 17 -1.263 -17.883 92.432 1.00 0.00 N ATOM 257 CA GLU A 17 -2.222 -17.437 91.367 1.00 0.00 C ATOM 258 C GLU A 17 -1.494 -17.275 90.020 1.00 0.00 C ATOM 259 O GLU A 17 -1.938 -17.770 88.997 1.00 0.00 O ATOM 260 CB GLU A 17 -2.815 -16.095 91.796 1.00 0.00 C ATOM 261 CG GLU A 17 -3.934 -16.323 92.819 1.00 0.00 C ATOM 262 CD GLU A 17 -5.178 -16.858 92.112 1.00 0.00 C ATOM 263 OE1 GLU A 17 -5.850 -16.074 91.464 1.00 0.00 O ATOM 264 OE2 GLU A 17 -5.441 -18.043 92.234 1.00 0.00 O ATOM 0 H GLU A 17 -0.923 -17.137 93.039 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.008 -18.182 91.242 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.037 -15.465 92.229 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.207 -15.566 90.927 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.605 -17.030 93.581 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.168 -15.389 93.330 1.00 0.00 H new ATOM 271 N VAL A 18 -0.377 -16.598 90.009 1.00 0.00 N ATOM 272 CA VAL A 18 0.369 -16.422 88.725 1.00 0.00 C ATOM 273 C VAL A 18 0.788 -17.819 88.243 1.00 0.00 C ATOM 274 O VAL A 18 0.952 -18.073 87.065 1.00 0.00 O ATOM 275 CB VAL A 18 1.640 -15.566 88.969 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.458 -14.124 88.496 1.00 0.00 C ATOM 277 CG2 VAL A 18 1.959 -15.546 90.456 1.00 0.00 C ATOM 0 H VAL A 18 0.050 -16.161 90.826 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.256 -15.921 87.985 1.00 0.00 H new ATOM 0 HB VAL A 18 2.452 -16.017 88.399 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.372 -13.561 88.686 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.242 -14.116 87.428 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.630 -13.665 89.037 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.852 -14.945 90.629 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.120 -15.115 91.002 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.134 -16.564 90.804 1.00 0.00 H new ATOM 287 N LYS A 19 0.973 -18.717 89.163 1.00 0.00 N ATOM 288 CA LYS A 19 1.404 -20.092 88.809 1.00 0.00 C ATOM 289 C LYS A 19 0.288 -20.856 88.089 1.00 0.00 C ATOM 290 O LYS A 19 0.543 -21.698 87.246 1.00 0.00 O ATOM 291 CB LYS A 19 1.757 -20.811 90.105 1.00 0.00 C ATOM 292 CG LYS A 19 2.374 -22.179 89.809 1.00 0.00 C ATOM 293 CD LYS A 19 3.249 -22.609 90.995 1.00 0.00 C ATOM 294 CE LYS A 19 4.657 -21.988 90.887 1.00 0.00 C ATOM 295 NZ LYS A 19 5.594 -22.974 90.271 1.00 0.00 N ATOM 0 H LYS A 19 0.842 -18.554 90.161 1.00 0.00 H new ATOM 0 HA LYS A 19 2.260 -20.044 88.136 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.457 -20.208 90.683 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.862 -20.934 90.715 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.589 -22.915 89.636 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.972 -22.132 88.899 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.781 -22.300 91.930 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.326 -23.696 91.021 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.620 -21.081 90.284 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.015 -21.699 91.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.237 -23.344 91.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.050 -23.758 89.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.149 -22.507 89.525 1.00 0.00 H new ATOM 309 N ASP A 20 -0.937 -20.588 88.426 1.00 0.00 N ATOM 310 CA ASP A 20 -2.068 -21.318 87.783 1.00 0.00 C ATOM 311 C ASP A 20 -2.107 -21.022 86.289 1.00 0.00 C ATOM 312 O ASP A 20 -2.187 -21.916 85.473 1.00 0.00 O ATOM 313 CB ASP A 20 -3.389 -20.876 88.419 1.00 0.00 C ATOM 314 CG ASP A 20 -4.500 -21.842 88.009 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.456 -22.982 88.444 1.00 0.00 O ATOM 316 OD2 ASP A 20 -5.377 -21.426 87.271 1.00 0.00 O ATOM 0 H ASP A 20 -1.210 -19.893 89.121 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.925 -22.388 87.931 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.293 -20.855 89.505 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.637 -19.863 88.101 1.00 0.00 H new ATOM 321 N TYR A 21 -2.059 -19.777 85.915 1.00 0.00 N ATOM 322 CA TYR A 21 -2.100 -19.444 84.462 1.00 0.00 C ATOM 323 C TYR A 21 -0.870 -20.037 83.761 1.00 0.00 C ATOM 324 O TYR A 21 -0.967 -20.677 82.734 1.00 0.00 O ATOM 325 CB TYR A 21 -2.097 -17.925 84.289 1.00 0.00 C ATOM 326 CG TYR A 21 -3.407 -17.358 84.786 1.00 0.00 C ATOM 327 CD1 TYR A 21 -3.556 -17.022 86.139 1.00 0.00 C ATOM 328 CD2 TYR A 21 -4.476 -17.175 83.899 1.00 0.00 C ATOM 329 CE1 TYR A 21 -4.771 -16.509 86.602 1.00 0.00 C ATOM 330 CE2 TYR A 21 -5.690 -16.657 84.365 1.00 0.00 C ATOM 331 CZ TYR A 21 -5.838 -16.326 85.716 1.00 0.00 C ATOM 332 OH TYR A 21 -7.037 -15.829 86.182 1.00 0.00 O ATOM 0 H TYR A 21 -1.994 -18.978 86.546 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.005 -19.862 84.021 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.266 -17.487 84.842 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.952 -17.668 83.240 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.732 -17.160 86.823 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.363 -17.433 82.856 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.886 -16.254 87.645 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.513 -16.513 83.681 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.674 -15.761 85.440 1.00 0.00 H new ATOM 342 N VAL A 22 0.293 -19.816 84.309 1.00 0.00 N ATOM 343 CA VAL A 22 1.547 -20.348 83.694 1.00 0.00 C ATOM 344 C VAL A 22 1.610 -21.865 83.871 1.00 0.00 C ATOM 345 O VAL A 22 2.306 -22.558 83.155 1.00 0.00 O ATOM 346 CB VAL A 22 2.732 -19.692 84.401 1.00 0.00 C ATOM 347 CG1 VAL A 22 4.056 -20.395 84.040 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.779 -18.214 84.003 1.00 0.00 C ATOM 0 H VAL A 22 0.432 -19.283 85.168 1.00 0.00 H new ATOM 0 HA VAL A 22 1.571 -20.125 82.627 1.00 0.00 H new ATOM 0 HB VAL A 22 2.604 -19.782 85.480 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.881 -19.906 84.558 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.007 -21.441 84.343 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.218 -20.336 82.964 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.620 -17.730 84.499 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.899 -18.132 82.923 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.851 -17.727 84.303 1.00 0.00 H new ATOM 358 N ALA A 23 0.888 -22.391 84.822 1.00 0.00 N ATOM 359 CA ALA A 23 0.910 -23.858 85.039 1.00 0.00 C ATOM 360 C ALA A 23 0.369 -24.529 83.789 1.00 0.00 C ATOM 361 O ALA A 23 0.625 -25.689 83.519 1.00 0.00 O ATOM 362 CB ALA A 23 0.013 -24.212 86.226 1.00 0.00 C ATOM 0 H ALA A 23 0.285 -21.866 85.456 1.00 0.00 H new ATOM 0 HA ALA A 23 1.927 -24.193 85.244 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.029 -25.290 86.385 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.378 -23.707 87.121 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.008 -23.891 86.019 1.00 0.00 H new ATOM 368 N LYS A 24 -0.380 -23.803 83.020 1.00 0.00 N ATOM 369 CA LYS A 24 -0.944 -24.393 81.784 1.00 0.00 C ATOM 370 C LYS A 24 0.198 -24.892 80.904 1.00 0.00 C ATOM 371 O LYS A 24 0.454 -26.079 80.817 1.00 0.00 O ATOM 372 CB LYS A 24 -1.771 -23.346 81.025 1.00 0.00 C ATOM 373 CG LYS A 24 -3.220 -23.349 81.536 1.00 0.00 C ATOM 374 CD LYS A 24 -3.234 -23.068 83.040 1.00 0.00 C ATOM 375 CE LYS A 24 -4.679 -22.935 83.524 1.00 0.00 C ATOM 376 NZ LYS A 24 -4.687 -22.350 84.895 1.00 0.00 N ATOM 0 H LYS A 24 -0.626 -22.828 83.192 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.597 -25.226 82.046 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.332 -22.357 81.158 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.753 -23.561 79.957 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.804 -22.594 81.009 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.687 -24.313 81.331 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.733 -23.875 83.576 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.682 -22.153 83.254 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.246 -22.301 82.842 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.164 -23.911 83.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.409 -22.827 85.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.753 -22.480 85.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.904 -21.335 84.838 1.00 0.00 H new ATOM 390 N GLY A 25 0.888 -24.017 80.241 1.00 0.00 N ATOM 391 CA GLY A 25 1.994 -24.500 79.372 1.00 0.00 C ATOM 392 C GLY A 25 2.899 -23.358 78.911 1.00 0.00 C ATOM 393 O GLY A 25 2.720 -22.809 77.846 1.00 0.00 O ATOM 0 H GLY A 25 0.742 -23.008 80.259 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.587 -25.236 79.915 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.577 -25.006 78.501 1.00 0.00 H new ATOM 397 N GLU A 26 3.878 -23.020 79.707 1.00 0.00 N ATOM 398 CA GLU A 26 4.841 -21.928 79.349 1.00 0.00 C ATOM 399 C GLU A 26 4.165 -20.806 78.545 1.00 0.00 C ATOM 400 O GLU A 26 3.983 -20.878 77.344 1.00 0.00 O ATOM 401 CB GLU A 26 6.075 -22.474 78.590 1.00 0.00 C ATOM 402 CG GLU A 26 5.707 -23.624 77.644 1.00 0.00 C ATOM 403 CD GLU A 26 4.933 -23.101 76.436 1.00 0.00 C ATOM 404 OE1 GLU A 26 5.339 -22.092 75.886 1.00 0.00 O ATOM 405 OE2 GLU A 26 3.953 -23.730 76.071 1.00 0.00 O ATOM 0 H GLU A 26 4.057 -23.461 80.609 1.00 0.00 H new ATOM 0 HA GLU A 26 5.187 -21.501 80.290 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.535 -21.668 78.018 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.818 -22.820 79.308 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.612 -24.131 77.311 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.106 -24.361 78.176 1.00 0.00 H new ATOM 412 N ASP A 27 3.829 -19.746 79.219 1.00 0.00 N ATOM 413 CA ASP A 27 3.206 -18.572 78.561 1.00 0.00 C ATOM 414 C ASP A 27 3.665 -17.348 79.347 1.00 0.00 C ATOM 415 O ASP A 27 2.962 -16.369 79.489 1.00 0.00 O ATOM 416 CB ASP A 27 1.680 -18.708 78.614 1.00 0.00 C ATOM 417 CG ASP A 27 1.239 -19.883 77.732 1.00 0.00 C ATOM 418 OD1 ASP A 27 1.286 -19.738 76.521 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.860 -20.907 78.280 1.00 0.00 O ATOM 0 H ASP A 27 3.964 -19.643 80.225 1.00 0.00 H new ATOM 0 HA ASP A 27 3.495 -18.490 77.513 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.354 -18.869 79.642 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.210 -17.786 78.271 1.00 0.00 H new ATOM 424 N VAL A 28 4.851 -17.436 79.893 1.00 0.00 N ATOM 425 CA VAL A 28 5.398 -16.328 80.719 1.00 0.00 C ATOM 426 C VAL A 28 5.931 -15.196 79.842 1.00 0.00 C ATOM 427 O VAL A 28 7.113 -14.919 79.784 1.00 0.00 O ATOM 428 CB VAL A 28 6.493 -16.893 81.620 1.00 0.00 C ATOM 429 CG1 VAL A 28 5.849 -17.885 82.591 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.562 -17.617 80.783 1.00 0.00 C ATOM 0 H VAL A 28 5.469 -18.242 79.798 1.00 0.00 H new ATOM 0 HA VAL A 28 4.604 -15.902 81.332 1.00 0.00 H new ATOM 0 HB VAL A 28 6.975 -16.080 82.163 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.614 -18.302 83.246 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.098 -17.371 83.191 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.375 -18.689 82.028 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.334 -18.013 81.443 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.100 -18.436 80.233 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.010 -16.915 80.080 1.00 0.00 H new ATOM 440 N ASN A 29 5.045 -14.527 79.174 1.00 0.00 N ATOM 441 CA ASN A 29 5.444 -13.402 78.311 1.00 0.00 C ATOM 442 C ASN A 29 4.172 -12.702 77.821 1.00 0.00 C ATOM 443 O ASN A 29 4.052 -12.341 76.664 1.00 0.00 O ATOM 444 CB ASN A 29 6.249 -13.939 77.128 1.00 0.00 C ATOM 445 CG ASN A 29 5.622 -15.243 76.628 1.00 0.00 C ATOM 446 OD1 ASN A 29 5.710 -16.326 77.352 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 5.043 -15.278 75.560 1.00 0.00 N flip ATOM 0 H ASN A 29 4.043 -14.719 79.192 1.00 0.00 H new ATOM 0 HA ASN A 29 6.063 -12.692 78.859 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.269 -13.202 76.325 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.283 -14.112 77.428 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.972 -14.435 74.991 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.629 -16.151 75.233 1.00 0.00 H new ATOM 454 N ARG A 30 3.215 -12.532 78.705 1.00 0.00 N ATOM 455 CA ARG A 30 1.923 -11.878 78.329 1.00 0.00 C ATOM 456 C ARG A 30 1.797 -10.491 78.969 1.00 0.00 C ATOM 457 O ARG A 30 1.799 -10.345 80.178 1.00 0.00 O ATOM 458 CB ARG A 30 0.758 -12.737 78.819 1.00 0.00 C ATOM 459 CG ARG A 30 0.768 -14.092 78.108 1.00 0.00 C ATOM 460 CD ARG A 30 -0.592 -14.772 78.275 1.00 0.00 C ATOM 461 NE ARG A 30 -0.667 -15.962 77.367 1.00 0.00 N ATOM 462 CZ ARG A 30 -0.565 -15.843 76.072 1.00 0.00 C ATOM 463 NH1 ARG A 30 -0.545 -14.661 75.518 1.00 0.00 N ATOM 464 NH2 ARG A 30 -0.532 -16.918 75.326 1.00 0.00 N ATOM 0 H ARG A 30 3.277 -12.822 79.681 1.00 0.00 H new ATOM 0 HA ARG A 30 1.902 -11.775 77.244 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.832 -12.883 79.897 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.186 -12.225 78.630 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.990 -13.956 77.050 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.555 -14.724 78.520 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.732 -15.081 79.311 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.393 -14.071 78.041 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.801 -16.889 77.772 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.609 -13.825 76.098 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.465 -14.574 74.505 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.586 -17.840 75.758 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.452 -16.833 74.313 1.00 0.00 H new ATOM 478 N THR A 31 1.646 -9.478 78.165 1.00 0.00 N ATOM 479 CA THR A 31 1.473 -8.100 78.711 1.00 0.00 C ATOM 480 C THR A 31 0.223 -8.075 79.611 1.00 0.00 C ATOM 481 O THR A 31 -0.886 -8.084 79.123 1.00 0.00 O ATOM 482 CB THR A 31 1.292 -7.117 77.537 1.00 0.00 C ATOM 483 OG1 THR A 31 2.131 -7.512 76.460 1.00 0.00 O ATOM 484 CG2 THR A 31 1.673 -5.703 77.978 1.00 0.00 C ATOM 0 H THR A 31 1.635 -9.543 77.147 1.00 0.00 H new ATOM 0 HA THR A 31 2.347 -7.810 79.295 1.00 0.00 H new ATOM 0 HB THR A 31 0.249 -7.127 77.219 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.017 -6.890 75.711 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.543 -5.014 77.143 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.034 -5.395 78.806 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.714 -5.690 78.300 1.00 0.00 H new ATOM 492 N LEU A 32 0.384 -8.059 80.916 1.00 0.00 N ATOM 493 CA LEU A 32 -0.823 -8.052 81.799 1.00 0.00 C ATOM 494 C LEU A 32 -1.448 -6.650 81.847 1.00 0.00 C ATOM 495 O LEU A 32 -2.658 -6.507 81.837 1.00 0.00 O ATOM 496 CB LEU A 32 -0.515 -8.606 83.227 1.00 0.00 C ATOM 497 CG LEU A 32 0.659 -7.921 83.974 1.00 0.00 C ATOM 498 CD1 LEU A 32 1.970 -8.028 83.184 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.332 -6.453 84.326 1.00 0.00 C ATOM 0 H LEU A 32 1.283 -8.051 81.398 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.556 -8.731 81.364 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.414 -8.510 83.836 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.297 -9.671 83.145 1.00 0.00 H new ATOM 0 HG LEU A 32 0.798 -8.457 84.913 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.770 -7.537 83.738 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.222 -9.078 83.037 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.851 -7.545 82.214 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.178 -6.007 84.848 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.135 -5.895 83.411 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.549 -6.420 84.968 1.00 0.00 H new ATOM 511 N GLU A 33 -0.651 -5.614 81.877 1.00 0.00 N ATOM 512 CA GLU A 33 -1.221 -4.230 81.903 1.00 0.00 C ATOM 513 C GLU A 33 -1.558 -3.781 80.483 1.00 0.00 C ATOM 514 O GLU A 33 -2.698 -3.782 80.072 1.00 0.00 O ATOM 515 CB GLU A 33 -0.201 -3.263 82.509 1.00 0.00 C ATOM 516 CG GLU A 33 -0.823 -1.866 82.640 1.00 0.00 C ATOM 517 CD GLU A 33 0.032 -1.012 83.585 1.00 0.00 C ATOM 518 OE1 GLU A 33 1.211 -1.300 83.704 1.00 0.00 O ATOM 519 OE2 GLU A 33 -0.507 -0.089 84.170 1.00 0.00 O ATOM 0 H GLU A 33 0.368 -5.664 81.885 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.128 -4.231 82.508 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.118 -3.622 83.487 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.689 -3.218 81.881 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.887 -1.391 81.661 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.840 -1.944 83.023 1.00 0.00 H new ATOM 526 N GLY A 34 -0.572 -3.384 79.731 1.00 0.00 N ATOM 527 CA GLY A 34 -0.840 -2.923 78.339 1.00 0.00 C ATOM 528 C GLY A 34 0.476 -2.810 77.579 1.00 0.00 C ATOM 529 O GLY A 34 0.514 -2.862 76.364 1.00 0.00 O ATOM 0 H GLY A 34 0.407 -3.358 80.018 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.505 -3.624 77.834 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.347 -1.958 78.355 1.00 0.00 H new ATOM 533 N GLY A 35 1.546 -2.649 78.294 1.00 0.00 N ATOM 534 CA GLY A 35 2.883 -2.522 77.645 1.00 0.00 C ATOM 535 C GLY A 35 3.959 -3.016 78.615 1.00 0.00 C ATOM 536 O GLY A 35 5.137 -2.822 78.391 1.00 0.00 O ATOM 0 H GLY A 35 1.557 -2.599 79.313 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.911 -3.104 76.724 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.071 -1.484 77.371 1.00 0.00 H new ATOM 540 N ARG A 36 3.553 -3.642 79.695 1.00 0.00 N ATOM 541 CA ARG A 36 4.527 -4.145 80.711 1.00 0.00 C ATOM 542 C ARG A 36 4.369 -5.671 80.853 1.00 0.00 C ATOM 543 O ARG A 36 3.323 -6.217 80.577 1.00 0.00 O ATOM 544 CB ARG A 36 4.231 -3.447 82.050 1.00 0.00 C ATOM 545 CG ARG A 36 3.739 -2.005 81.786 1.00 0.00 C ATOM 546 CD ARG A 36 4.082 -1.095 82.973 1.00 0.00 C ATOM 547 NE ARG A 36 5.538 -0.776 82.952 1.00 0.00 N ATOM 548 CZ ARG A 36 6.014 0.167 83.722 1.00 0.00 C ATOM 549 NH1 ARG A 36 5.219 0.828 84.520 1.00 0.00 N ATOM 550 NH2 ARG A 36 7.287 0.449 83.682 1.00 0.00 N ATOM 0 H ARG A 36 2.575 -3.827 79.916 1.00 0.00 H new ATOM 0 HA ARG A 36 5.551 -3.928 80.405 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.475 -4.004 82.603 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.129 -3.428 82.668 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.200 -1.617 80.878 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.662 -2.006 81.621 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.497 -0.177 82.921 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.820 -1.587 83.910 1.00 0.00 H new ATOM 0 HE ARG A 36 6.164 -1.294 82.336 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.223 0.609 84.544 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.594 1.563 85.119 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.904 -0.065 83.053 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.666 1.184 84.280 1.00 0.00 H new ATOM 564 N LYS A 37 5.409 -6.360 81.270 1.00 0.00 N ATOM 565 CA LYS A 37 5.341 -7.864 81.419 1.00 0.00 C ATOM 566 C LYS A 37 5.293 -8.220 82.932 1.00 0.00 C ATOM 567 O LYS A 37 5.474 -7.347 83.762 1.00 0.00 O ATOM 568 CB LYS A 37 6.579 -8.507 80.737 1.00 0.00 C ATOM 569 CG LYS A 37 7.528 -7.426 80.208 1.00 0.00 C ATOM 570 CD LYS A 37 8.247 -6.764 81.384 1.00 0.00 C ATOM 571 CE LYS A 37 8.776 -5.396 80.961 1.00 0.00 C ATOM 572 NZ LYS A 37 9.344 -5.490 79.587 1.00 0.00 N ATOM 0 H LYS A 37 6.309 -5.948 81.516 1.00 0.00 H new ATOM 0 HA LYS A 37 4.444 -8.252 80.938 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.105 -9.142 81.450 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.257 -9.148 79.917 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.254 -7.866 79.524 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.969 -6.680 79.642 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.563 -6.656 82.226 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.070 -7.394 81.721 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.973 -4.660 80.985 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.540 -5.057 81.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.042 -4.732 79.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.807 -6.413 79.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.580 -5.390 78.888 1.00 0.00 H new ATOM 586 N PRO A 38 5.011 -9.471 83.268 1.00 0.00 N ATOM 587 CA PRO A 38 4.906 -9.888 84.697 1.00 0.00 C ATOM 588 C PRO A 38 6.263 -9.968 85.438 1.00 0.00 C ATOM 589 O PRO A 38 6.367 -10.663 86.424 1.00 0.00 O ATOM 590 CB PRO A 38 4.272 -11.293 84.630 1.00 0.00 C ATOM 591 CG PRO A 38 4.412 -11.791 83.168 1.00 0.00 C ATOM 592 CD PRO A 38 4.741 -10.561 82.293 1.00 0.00 C ATOM 0 HA PRO A 38 4.329 -9.153 85.259 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.773 -11.974 85.318 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.223 -11.256 84.925 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.201 -12.539 83.091 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.489 -12.265 82.833 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.606 -10.747 81.656 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.909 -10.308 81.635 1.00 0.00 H new ATOM 600 N LEU A 39 7.284 -9.254 85.029 1.00 0.00 N ATOM 601 CA LEU A 39 8.578 -9.326 85.794 1.00 0.00 C ATOM 602 C LEU A 39 8.793 -8.020 86.563 1.00 0.00 C ATOM 603 O LEU A 39 9.500 -7.976 87.552 1.00 0.00 O ATOM 604 CB LEU A 39 9.726 -9.524 84.812 1.00 0.00 C ATOM 605 CG LEU A 39 11.045 -10.015 85.487 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.834 -10.749 86.824 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.740 -10.983 84.532 1.00 0.00 C ATOM 0 H LEU A 39 7.284 -8.636 84.217 1.00 0.00 H new ATOM 0 HA LEU A 39 8.541 -10.159 86.496 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.424 -10.247 84.054 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.919 -8.583 84.297 1.00 0.00 H new ATOM 0 HG LEU A 39 11.635 -9.123 85.699 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.799 -11.057 87.226 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.342 -10.082 87.532 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.211 -11.629 86.662 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.666 -11.339 84.985 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.084 -11.831 84.332 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.967 -10.471 83.597 1.00 0.00 H new ATOM 619 N HIS A 40 8.207 -6.959 86.099 1.00 0.00 N ATOM 620 CA HIS A 40 8.387 -5.646 86.768 1.00 0.00 C ATOM 621 C HIS A 40 7.663 -5.664 88.112 1.00 0.00 C ATOM 622 O HIS A 40 8.176 -5.209 89.115 1.00 0.00 O ATOM 623 CB HIS A 40 7.792 -4.560 85.869 1.00 0.00 C ATOM 624 CG HIS A 40 7.812 -3.250 86.593 1.00 0.00 C ATOM 625 ND1 HIS A 40 8.367 -3.122 87.848 1.00 0.00 N ATOM 626 CD2 HIS A 40 7.351 -2.001 86.255 1.00 0.00 C ATOM 627 CE1 HIS A 40 8.236 -1.841 88.227 1.00 0.00 C ATOM 628 NE2 HIS A 40 7.620 -1.109 87.292 1.00 0.00 N ATOM 0 H HIS A 40 7.604 -6.944 85.276 1.00 0.00 H new ATOM 0 HA HIS A 40 9.445 -5.446 86.938 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.363 -4.485 84.943 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.770 -4.820 85.593 1.00 0.00 H new ATOM 0 HD1 HIS A 40 8.800 -3.868 88.392 1.00 0.00 H new ATOM 0 HD2 HIS A 40 6.856 -1.749 85.329 1.00 0.00 H new ATOM 0 HE1 HIS A 40 8.585 -1.449 89.171 1.00 0.00 H new ATOM 636 N TYR A 41 6.482 -6.204 88.148 1.00 0.00 N ATOM 637 CA TYR A 41 5.745 -6.265 89.437 1.00 0.00 C ATOM 638 C TYR A 41 6.398 -7.319 90.313 1.00 0.00 C ATOM 639 O TYR A 41 6.590 -7.139 91.496 1.00 0.00 O ATOM 640 CB TYR A 41 4.296 -6.654 89.183 1.00 0.00 C ATOM 641 CG TYR A 41 3.795 -5.900 88.001 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.028 -6.408 86.727 1.00 0.00 C ATOM 643 CD2 TYR A 41 3.105 -4.695 88.174 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.572 -5.710 85.611 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.647 -3.995 87.060 1.00 0.00 C ATOM 646 CZ TYR A 41 2.880 -4.499 85.778 1.00 0.00 C ATOM 647 OH TYR A 41 2.438 -3.801 84.678 1.00 0.00 O ATOM 0 H TYR A 41 5.996 -6.604 87.346 1.00 0.00 H new ATOM 0 HA TYR A 41 5.773 -5.292 89.927 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.219 -7.727 89.006 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.687 -6.431 90.059 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.560 -7.340 86.604 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.928 -4.309 89.167 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.750 -6.099 84.619 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.113 -3.065 87.187 1.00 0.00 H new ATOM 0 HH TYR A 41 2.100 -2.925 84.960 1.00 0.00 H new ATOM 657 N ALA A 42 6.754 -8.422 89.723 1.00 0.00 N ATOM 658 CA ALA A 42 7.404 -9.492 90.498 1.00 0.00 C ATOM 659 C ALA A 42 8.734 -8.920 90.993 1.00 0.00 C ATOM 660 O ALA A 42 8.968 -8.769 92.176 1.00 0.00 O ATOM 661 CB ALA A 42 7.605 -10.707 89.565 1.00 0.00 C ATOM 0 H ALA A 42 6.619 -8.623 88.732 1.00 0.00 H new ATOM 0 HA ALA A 42 6.814 -9.824 91.352 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.086 -11.514 90.117 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.637 -11.046 89.196 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.234 -10.419 88.723 1.00 0.00 H new ATOM 667 N ALA A 43 9.577 -8.540 90.086 1.00 0.00 N ATOM 668 CA ALA A 43 10.870 -7.918 90.469 1.00 0.00 C ATOM 669 C ALA A 43 10.624 -6.823 91.519 1.00 0.00 C ATOM 670 O ALA A 43 11.087 -6.906 92.640 1.00 0.00 O ATOM 671 CB ALA A 43 11.468 -7.257 89.224 1.00 0.00 C ATOM 0 H ALA A 43 9.426 -8.634 89.082 1.00 0.00 H new ATOM 0 HA ALA A 43 11.540 -8.677 90.875 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.420 -6.792 89.481 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.628 -8.011 88.453 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.782 -6.497 88.851 1.00 0.00 H new ATOM 677 N ASP A 44 9.917 -5.791 91.135 1.00 0.00 N ATOM 678 CA ASP A 44 9.642 -4.645 92.049 1.00 0.00 C ATOM 679 C ASP A 44 9.029 -5.098 93.378 1.00 0.00 C ATOM 680 O ASP A 44 9.348 -4.559 94.417 1.00 0.00 O ATOM 681 CB ASP A 44 8.682 -3.674 91.350 1.00 0.00 C ATOM 682 CG ASP A 44 8.470 -2.441 92.227 1.00 0.00 C ATOM 683 OD1 ASP A 44 7.682 -2.529 93.154 1.00 0.00 O ATOM 684 OD2 ASP A 44 9.098 -1.431 91.958 1.00 0.00 O ATOM 0 H ASP A 44 9.510 -5.694 90.205 1.00 0.00 H new ATOM 0 HA ASP A 44 10.591 -4.159 92.276 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.088 -3.379 90.383 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.728 -4.165 91.159 1.00 0.00 H new ATOM 689 N CYS A 45 8.150 -6.059 93.374 1.00 0.00 N ATOM 690 CA CYS A 45 7.533 -6.488 94.668 1.00 0.00 C ATOM 691 C CYS A 45 6.965 -7.893 94.523 1.00 0.00 C ATOM 692 O CYS A 45 5.773 -8.094 94.628 1.00 0.00 O ATOM 693 CB CYS A 45 6.376 -5.556 95.019 1.00 0.00 C ATOM 694 SG CYS A 45 6.994 -3.890 95.379 1.00 0.00 S ATOM 0 H CYS A 45 7.832 -6.563 92.546 1.00 0.00 H new ATOM 0 HA CYS A 45 8.297 -6.461 95.445 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.668 -5.517 94.191 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.836 -5.945 95.882 1.00 0.00 H new ATOM 0 HG CYS A 45 7.871 -3.549 94.482 1.00 0.00 H new ATOM 700 N GLY A 46 7.801 -8.863 94.282 1.00 0.00 N ATOM 701 CA GLY A 46 7.297 -10.264 94.130 1.00 0.00 C ATOM 702 C GLY A 46 7.775 -11.122 95.295 1.00 0.00 C ATOM 703 O GLY A 46 7.976 -12.308 95.143 1.00 0.00 O ATOM 0 H GLY A 46 8.810 -8.751 94.183 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.208 -10.265 94.091 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.650 -10.686 93.189 1.00 0.00 H new ATOM 707 N GLN A 47 7.989 -10.549 96.451 1.00 0.00 N ATOM 708 CA GLN A 47 8.486 -11.375 97.584 1.00 0.00 C ATOM 709 C GLN A 47 9.729 -12.128 97.093 1.00 0.00 C ATOM 710 O GLN A 47 10.226 -13.047 97.719 1.00 0.00 O ATOM 711 CB GLN A 47 7.390 -12.342 98.034 1.00 0.00 C ATOM 712 CG GLN A 47 6.360 -11.586 98.888 1.00 0.00 C ATOM 713 CD GLN A 47 5.863 -10.322 98.162 1.00 0.00 C ATOM 714 OE1 GLN A 47 5.304 -10.423 96.983 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 5.977 -9.229 98.683 1.00 0.00 N flip ATOM 0 H GLN A 47 7.843 -9.560 96.655 1.00 0.00 H new ATOM 0 HA GLN A 47 8.748 -10.756 98.442 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.903 -12.786 97.166 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.825 -13.160 98.609 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.516 -12.239 99.108 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.807 -11.309 99.843 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.412 -9.145 99.602 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.638 -8.396 98.201 1.00 0.00 H new ATOM 724 N LEU A 48 10.225 -11.686 95.966 1.00 0.00 N ATOM 725 CA LEU A 48 11.448 -12.255 95.329 1.00 0.00 C ATOM 726 C LEU A 48 11.296 -13.751 95.012 1.00 0.00 C ATOM 727 O LEU A 48 12.236 -14.415 94.615 1.00 0.00 O ATOM 728 CB LEU A 48 12.656 -12.030 96.226 1.00 0.00 C ATOM 729 CG LEU A 48 13.034 -10.521 96.344 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.350 -9.607 95.306 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.669 -10.018 97.736 1.00 0.00 C ATOM 0 H LEU A 48 9.810 -10.918 95.439 1.00 0.00 H new ATOM 0 HA LEU A 48 11.594 -11.736 94.382 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.448 -12.429 97.219 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.507 -12.586 95.832 1.00 0.00 H new ATOM 0 HG LEU A 48 14.106 -10.469 96.153 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.670 -8.577 95.462 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.628 -9.925 94.301 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.268 -9.672 95.421 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.932 -8.964 97.822 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.598 -10.139 97.898 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.216 -10.591 98.485 1.00 0.00 H new ATOM 743 N GLU A 49 10.120 -14.260 95.137 1.00 0.00 N ATOM 744 CA GLU A 49 9.863 -15.684 94.790 1.00 0.00 C ATOM 745 C GLU A 49 9.173 -15.709 93.436 1.00 0.00 C ATOM 746 O GLU A 49 9.375 -16.589 92.623 1.00 0.00 O ATOM 747 CB GLU A 49 8.948 -16.332 95.835 1.00 0.00 C ATOM 748 CG GLU A 49 7.993 -15.278 96.393 1.00 0.00 C ATOM 749 CD GLU A 49 7.038 -15.933 97.388 1.00 0.00 C ATOM 750 OE1 GLU A 49 7.510 -16.703 98.208 1.00 0.00 O ATOM 751 OE2 GLU A 49 5.854 -15.656 97.315 1.00 0.00 O ATOM 0 H GLU A 49 9.304 -13.747 95.471 1.00 0.00 H new ATOM 0 HA GLU A 49 10.802 -16.237 94.764 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.384 -17.149 95.385 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.544 -16.762 96.640 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.557 -14.484 96.882 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.430 -14.816 95.582 1.00 0.00 H new ATOM 758 N ILE A 50 8.336 -14.743 93.214 1.00 0.00 N ATOM 759 CA ILE A 50 7.588 -14.683 91.947 1.00 0.00 C ATOM 760 C ILE A 50 8.529 -14.467 90.760 1.00 0.00 C ATOM 761 O ILE A 50 8.397 -15.109 89.740 1.00 0.00 O ATOM 762 CB ILE A 50 6.577 -13.536 92.026 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.705 -13.676 93.332 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.741 -13.552 90.742 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.170 -13.624 93.082 1.00 0.00 C ATOM 0 H ILE A 50 8.139 -13.985 93.868 1.00 0.00 H new ATOM 0 HA ILE A 50 7.072 -15.631 91.795 1.00 0.00 H new ATOM 0 HB ILE A 50 7.076 -12.570 92.096 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.951 -14.619 93.820 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.976 -12.879 94.024 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.011 -12.743 90.773 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.395 -13.418 89.880 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.221 -14.506 90.658 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.643 -13.727 94.031 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.908 -12.670 92.623 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.882 -14.438 92.417 1.00 0.00 H new ATOM 777 N LEU A 51 9.461 -13.564 90.853 1.00 0.00 N ATOM 778 CA LEU A 51 10.346 -13.346 89.677 1.00 0.00 C ATOM 779 C LEU A 51 10.994 -14.675 89.278 1.00 0.00 C ATOM 780 O LEU A 51 10.925 -15.082 88.134 1.00 0.00 O ATOM 781 CB LEU A 51 11.431 -12.262 89.908 1.00 0.00 C ATOM 782 CG LEU A 51 11.685 -11.939 91.381 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.431 -11.354 92.057 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.174 -13.199 92.090 1.00 0.00 C ATOM 0 H LEU A 51 9.647 -12.981 91.669 1.00 0.00 H new ATOM 0 HA LEU A 51 9.718 -12.971 88.869 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.364 -12.594 89.454 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.133 -11.349 89.393 1.00 0.00 H new ATOM 0 HG LEU A 51 12.456 -11.172 91.451 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.649 -11.137 93.103 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.139 -10.435 91.549 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.616 -12.076 91.999 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.358 -12.977 93.141 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.416 -13.978 92.011 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.098 -13.543 91.625 1.00 0.00 H new ATOM 796 N GLU A 52 11.616 -15.364 90.186 1.00 0.00 N ATOM 797 CA GLU A 52 12.243 -16.662 89.808 1.00 0.00 C ATOM 798 C GLU A 52 11.250 -17.510 89.006 1.00 0.00 C ATOM 799 O GLU A 52 11.627 -18.235 88.116 1.00 0.00 O ATOM 800 CB GLU A 52 12.631 -17.475 91.055 1.00 0.00 C ATOM 801 CG GLU A 52 13.410 -16.615 92.040 1.00 0.00 C ATOM 802 CD GLU A 52 13.798 -17.449 93.273 1.00 0.00 C ATOM 803 OE1 GLU A 52 14.136 -18.612 93.105 1.00 0.00 O ATOM 804 OE2 GLU A 52 13.749 -16.908 94.366 1.00 0.00 O ATOM 0 H GLU A 52 11.719 -15.092 91.164 1.00 0.00 H new ATOM 0 HA GLU A 52 13.131 -16.433 89.220 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.733 -17.863 91.535 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.233 -18.335 90.761 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.306 -16.220 91.561 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.807 -15.759 92.344 1.00 0.00 H new ATOM 811 N PHE A 53 9.998 -17.470 89.368 1.00 0.00 N ATOM 812 CA PHE A 53 8.977 -18.333 88.697 1.00 0.00 C ATOM 813 C PHE A 53 8.822 -18.047 87.207 1.00 0.00 C ATOM 814 O PHE A 53 9.341 -18.760 86.372 1.00 0.00 O ATOM 815 CB PHE A 53 7.629 -18.131 89.379 1.00 0.00 C ATOM 816 CG PHE A 53 6.579 -18.946 88.664 1.00 0.00 C ATOM 817 CD1 PHE A 53 6.678 -20.338 88.630 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.511 -18.305 88.027 1.00 0.00 C ATOM 819 CE1 PHE A 53 5.707 -21.093 87.957 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.545 -19.056 87.358 1.00 0.00 C ATOM 821 CZ PHE A 53 4.642 -20.450 87.323 1.00 0.00 C ATOM 0 H PHE A 53 9.632 -16.871 90.108 1.00 0.00 H new ATOM 0 HA PHE A 53 9.325 -19.362 88.790 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.689 -18.432 90.425 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.357 -17.076 89.366 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.502 -20.833 89.122 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.435 -17.228 88.053 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.783 -22.170 87.929 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.721 -18.560 86.866 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.893 -21.030 86.805 1.00 0.00 H new ATOM 831 N LEU A 54 8.045 -17.064 86.861 1.00 0.00 N ATOM 832 CA LEU A 54 7.801 -16.799 85.419 1.00 0.00 C ATOM 833 C LEU A 54 9.131 -16.611 84.683 1.00 0.00 C ATOM 834 O LEU A 54 9.196 -16.682 83.470 1.00 0.00 O ATOM 835 CB LEU A 54 6.843 -15.599 85.255 1.00 0.00 C ATOM 836 CG LEU A 54 7.501 -14.249 85.560 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.240 -14.329 86.879 1.00 0.00 C ATOM 838 CD2 LEU A 54 8.462 -13.804 84.443 1.00 0.00 C ATOM 0 H LEU A 54 7.570 -16.435 87.509 1.00 0.00 H new ATOM 0 HA LEU A 54 7.310 -17.658 84.962 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.460 -15.586 84.234 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.986 -15.735 85.915 1.00 0.00 H new ATOM 0 HG LEU A 54 6.710 -13.502 85.622 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.707 -13.368 87.093 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.538 -14.577 87.675 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.008 -15.100 86.820 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.904 -12.842 84.705 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.252 -14.546 84.325 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.912 -13.708 83.507 1.00 0.00 H new ATOM 850 N LEU A 55 10.201 -16.431 85.406 1.00 0.00 N ATOM 851 CA LEU A 55 11.543 -16.293 84.764 1.00 0.00 C ATOM 852 C LEU A 55 12.153 -17.694 84.634 1.00 0.00 C ATOM 853 O LEU A 55 12.667 -18.086 83.601 1.00 0.00 O ATOM 854 CB LEU A 55 12.412 -15.411 85.667 1.00 0.00 C ATOM 855 CG LEU A 55 13.563 -14.786 84.877 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.382 -13.881 85.813 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.452 -15.892 84.288 1.00 0.00 C ATOM 0 H LEU A 55 10.205 -16.373 86.424 1.00 0.00 H new ATOM 0 HA LEU A 55 11.473 -15.838 83.776 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.801 -14.625 86.110 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.811 -16.006 86.488 1.00 0.00 H new ATOM 0 HG LEU A 55 13.166 -14.188 84.056 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.205 -13.432 85.257 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.741 -13.094 86.211 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.782 -14.475 86.635 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.270 -15.441 83.726 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.859 -16.501 85.096 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.859 -16.520 83.623 1.00 0.00 H new ATOM 869 N LEU A 56 12.063 -18.457 85.678 1.00 0.00 N ATOM 870 CA LEU A 56 12.595 -19.841 85.662 1.00 0.00 C ATOM 871 C LEU A 56 11.958 -20.597 84.498 1.00 0.00 C ATOM 872 O LEU A 56 12.596 -21.387 83.830 1.00 0.00 O ATOM 873 CB LEU A 56 12.234 -20.481 86.999 1.00 0.00 C ATOM 874 CG LEU A 56 12.441 -21.986 86.997 1.00 0.00 C ATOM 875 CD1 LEU A 56 13.863 -22.318 86.545 1.00 0.00 C ATOM 876 CD2 LEU A 56 12.222 -22.469 88.436 1.00 0.00 C ATOM 0 H LEU A 56 11.635 -18.175 86.560 1.00 0.00 H new ATOM 0 HA LEU A 56 13.677 -19.861 85.529 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.840 -20.035 87.787 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.193 -20.261 87.234 1.00 0.00 H new ATOM 0 HG LEU A 56 11.748 -22.474 86.312 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.002 -23.399 86.547 1.00 0.00 H new ATOM 0 HD12 LEU A 56 14.024 -21.933 85.538 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.578 -21.859 87.228 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.361 -23.549 88.482 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.940 -21.982 89.096 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.209 -22.220 88.753 1.00 0.00 H new ATOM 888 N LYS A 57 10.714 -20.325 84.224 1.00 0.00 N ATOM 889 CA LYS A 57 10.051 -20.995 83.074 1.00 0.00 C ATOM 890 C LYS A 57 10.623 -20.355 81.804 1.00 0.00 C ATOM 891 O LYS A 57 11.747 -20.621 81.423 1.00 0.00 O ATOM 892 CB LYS A 57 8.521 -20.799 83.139 1.00 0.00 C ATOM 893 CG LYS A 57 7.851 -21.970 83.891 1.00 0.00 C ATOM 894 CD LYS A 57 8.141 -21.860 85.407 1.00 0.00 C ATOM 895 CE LYS A 57 8.329 -23.246 86.045 1.00 0.00 C ATOM 896 NZ LYS A 57 8.189 -23.119 87.533 1.00 0.00 N ATOM 0 H LYS A 57 10.130 -19.670 84.744 1.00 0.00 H new ATOM 0 HA LYS A 57 10.237 -22.069 83.088 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.291 -19.859 83.641 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.115 -20.729 82.130 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.775 -21.957 83.716 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.225 -22.920 83.509 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.038 -21.261 85.565 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.319 -21.340 85.899 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.588 -23.944 85.655 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.310 -23.648 85.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.734 -23.973 87.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.130 -23.008 87.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.606 -22.287 87.757 1.00 0.00 H new ATOM 910 N GLY A 58 9.895 -19.478 81.175 1.00 0.00 N ATOM 911 CA GLY A 58 10.458 -18.805 79.979 1.00 0.00 C ATOM 912 C GLY A 58 11.541 -17.858 80.489 1.00 0.00 C ATOM 913 O GLY A 58 12.399 -18.256 81.250 1.00 0.00 O ATOM 0 H GLY A 58 8.948 -19.202 81.434 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.875 -19.533 79.283 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.684 -18.257 79.441 1.00 0.00 H new ATOM 917 N ALA A 59 11.513 -16.611 80.127 1.00 0.00 N ATOM 918 CA ALA A 59 12.558 -15.701 80.662 1.00 0.00 C ATOM 919 C ALA A 59 12.372 -14.288 80.135 1.00 0.00 C ATOM 920 O ALA A 59 13.007 -13.851 79.198 1.00 0.00 O ATOM 921 CB ALA A 59 13.944 -16.232 80.300 1.00 0.00 C ATOM 0 H ALA A 59 10.830 -16.188 79.499 1.00 0.00 H new ATOM 0 HA ALA A 59 12.465 -15.666 81.747 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.706 -15.560 80.695 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.077 -17.225 80.730 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.039 -16.291 79.216 1.00 0.00 H new ATOM 927 N ASP A 60 11.514 -13.564 80.785 1.00 0.00 N ATOM 928 CA ASP A 60 11.260 -12.151 80.416 1.00 0.00 C ATOM 929 C ASP A 60 12.424 -11.316 80.961 1.00 0.00 C ATOM 930 O ASP A 60 12.463 -10.106 80.861 1.00 0.00 O ATOM 931 CB ASP A 60 9.939 -11.707 81.056 1.00 0.00 C ATOM 932 CG ASP A 60 9.785 -10.203 80.888 1.00 0.00 C ATOM 933 OD1 ASP A 60 9.528 -9.781 79.778 1.00 0.00 O ATOM 934 OD2 ASP A 60 9.941 -9.502 81.873 1.00 0.00 O ATOM 0 H ASP A 60 10.965 -13.901 81.576 1.00 0.00 H new ATOM 0 HA ASP A 60 11.187 -12.025 79.336 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.102 -12.225 80.588 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.926 -11.970 82.114 1.00 0.00 H new ATOM 939 N ILE A 61 13.365 -11.986 81.554 1.00 0.00 N ATOM 940 CA ILE A 61 14.553 -11.320 82.159 1.00 0.00 C ATOM 941 C ILE A 61 15.252 -10.379 81.176 1.00 0.00 C ATOM 942 O ILE A 61 15.932 -9.454 81.569 1.00 0.00 O ATOM 943 CB ILE A 61 15.526 -12.422 82.567 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.646 -11.844 83.429 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.122 -13.061 81.310 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.666 -12.947 83.738 1.00 0.00 C ATOM 0 H ILE A 61 13.362 -13.002 81.649 1.00 0.00 H new ATOM 0 HA ILE A 61 14.230 -10.718 83.008 1.00 0.00 H new ATOM 0 HB ILE A 61 14.991 -13.176 83.145 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.132 -11.018 82.909 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.237 -11.441 84.355 1.00 0.00 H new ATOM 0 HG21 ILE A 61 16.818 -13.849 81.597 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.322 -13.487 80.704 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.651 -12.303 80.732 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.468 -12.539 84.353 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.174 -13.758 84.275 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.082 -13.329 82.806 1.00 0.00 H new ATOM 958 N ASN A 62 15.108 -10.625 79.917 1.00 0.00 N ATOM 959 CA ASN A 62 15.785 -9.776 78.894 1.00 0.00 C ATOM 960 C ASN A 62 14.762 -9.347 77.843 1.00 0.00 C ATOM 961 O ASN A 62 14.891 -8.312 77.223 1.00 0.00 O ATOM 962 CB ASN A 62 16.891 -10.603 78.234 1.00 0.00 C ATOM 963 CG ASN A 62 16.263 -11.840 77.600 1.00 0.00 C ATOM 964 OD1 ASN A 62 15.445 -12.563 78.309 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 16.501 -12.142 76.450 1.00 0.00 N flip ATOM 0 H ASN A 62 14.544 -11.386 79.538 1.00 0.00 H new ATOM 0 HA ASN A 62 16.214 -8.888 79.358 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.406 -10.011 77.478 1.00 0.00 H new ATOM 0 HB3 ASN A 62 17.637 -10.894 78.973 1.00 0.00 H new ATOM 0 HD21 ASN A 62 17.142 -11.574 75.896 1.00 0.00 H new ATOM 0 HD22 ASN A 62 16.060 -12.964 76.037 1.00 0.00 H new ATOM 972 N ALA A 63 13.748 -10.150 77.652 1.00 0.00 N ATOM 973 CA ALA A 63 12.668 -9.844 76.645 1.00 0.00 C ATOM 974 C ALA A 63 12.675 -8.368 76.188 1.00 0.00 C ATOM 975 O ALA A 63 12.862 -8.117 75.012 1.00 0.00 O ATOM 976 CB ALA A 63 11.281 -10.205 77.204 1.00 0.00 C ATOM 0 H ALA A 63 13.614 -11.025 78.159 1.00 0.00 H new ATOM 0 HA ALA A 63 12.883 -10.459 75.771 1.00 0.00 H new ATOM 0 HB1 ALA A 63 10.518 -9.976 76.460 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.249 -11.269 77.440 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.091 -9.627 78.108 1.00 0.00 H new ATOM 982 N PRO A 64 12.472 -7.425 77.105 1.00 0.00 N ATOM 983 CA PRO A 64 12.434 -5.976 76.814 1.00 0.00 C ATOM 984 C PRO A 64 12.957 -5.570 75.432 1.00 0.00 C ATOM 985 O PRO A 64 13.937 -6.078 74.930 1.00 0.00 O ATOM 986 CB PRO A 64 13.259 -5.416 77.979 1.00 0.00 C ATOM 987 CG PRO A 64 13.067 -6.442 79.146 1.00 0.00 C ATOM 988 CD PRO A 64 12.299 -7.649 78.550 1.00 0.00 C ATOM 0 HA PRO A 64 11.419 -5.583 76.753 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.310 -5.320 77.707 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.912 -4.423 78.266 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.030 -6.756 79.549 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.508 -5.994 79.968 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.721 -8.602 78.870 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.249 -7.651 78.842 1.00 0.00 H new ATOM 996 N ASP A 65 12.267 -4.638 74.822 1.00 0.00 N ATOM 997 CA ASP A 65 12.656 -4.149 73.472 1.00 0.00 C ATOM 998 C ASP A 65 12.525 -2.625 73.452 1.00 0.00 C ATOM 999 O ASP A 65 13.485 -1.909 73.236 1.00 0.00 O ATOM 1000 CB ASP A 65 11.719 -4.762 72.423 1.00 0.00 C ATOM 1001 CG ASP A 65 12.061 -6.238 72.217 1.00 0.00 C ATOM 1002 OD1 ASP A 65 13.224 -6.535 72.003 1.00 0.00 O ATOM 1003 OD2 ASP A 65 11.148 -7.045 72.275 1.00 0.00 O ATOM 0 H ASP A 65 11.438 -4.191 75.213 1.00 0.00 H new ATOM 0 HA ASP A 65 13.683 -4.436 73.246 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.683 -4.662 72.746 1.00 0.00 H new ATOM 0 HB3 ASP A 65 11.813 -4.223 71.480 1.00 0.00 H new ATOM 1008 N LYS A 66 11.344 -2.124 73.678 1.00 0.00 N ATOM 1009 CA LYS A 66 11.131 -0.658 73.679 1.00 0.00 C ATOM 1010 C LYS A 66 11.427 -0.081 75.075 1.00 0.00 C ATOM 1011 O LYS A 66 11.619 1.106 75.238 1.00 0.00 O ATOM 1012 CB LYS A 66 9.685 -0.399 73.299 1.00 0.00 C ATOM 1013 CG LYS A 66 9.542 1.028 72.790 1.00 0.00 C ATOM 1014 CD LYS A 66 9.731 1.058 71.271 1.00 0.00 C ATOM 1015 CE LYS A 66 9.834 2.508 70.787 1.00 0.00 C ATOM 1016 NZ LYS A 66 11.222 3.008 71.021 1.00 0.00 N ATOM 0 H LYS A 66 10.508 -2.679 73.864 1.00 0.00 H new ATOM 0 HA LYS A 66 11.801 -0.176 72.967 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.368 -1.104 72.531 1.00 0.00 H new ATOM 0 HB3 LYS A 66 9.037 -0.555 74.162 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.559 1.420 73.051 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.280 1.671 73.270 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.632 0.509 70.997 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.894 0.561 70.782 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.587 2.568 69.727 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.116 3.133 71.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.190 4.016 71.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.658 2.471 71.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.786 2.885 70.156 1.00 0.00 H new ATOM 1030 N HIS A 67 11.478 -0.912 76.076 1.00 0.00 N ATOM 1031 CA HIS A 67 11.775 -0.418 77.441 1.00 0.00 C ATOM 1032 C HIS A 67 13.289 -0.204 77.558 1.00 0.00 C ATOM 1033 O HIS A 67 13.784 0.249 78.569 1.00 0.00 O ATOM 1034 CB HIS A 67 11.300 -1.468 78.443 1.00 0.00 C ATOM 1035 CG HIS A 67 9.855 -1.795 78.168 1.00 0.00 C ATOM 1036 ND1 HIS A 67 8.822 -0.968 78.584 1.00 0.00 N ATOM 1037 CD2 HIS A 67 9.256 -2.846 77.522 1.00 0.00 C ATOM 1038 CE1 HIS A 67 7.668 -1.528 78.192 1.00 0.00 C ATOM 1039 NE2 HIS A 67 7.872 -2.675 77.538 1.00 0.00 N ATOM 0 H HIS A 67 11.325 -1.918 76.004 1.00 0.00 H new ATOM 0 HA HIS A 67 11.266 0.525 77.643 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.911 -2.367 78.363 1.00 0.00 H new ATOM 0 HB3 HIS A 67 11.414 -1.095 79.461 1.00 0.00 H new ATOM 0 HD2 HIS A 67 9.776 -3.678 77.070 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.693 -1.104 78.382 1.00 0.00 H new ATOM 0 HE2 HIS A 67 7.167 -3.293 77.137 1.00 0.00 H new ATOM 1047 N HIS A 68 14.013 -0.525 76.512 1.00 0.00 N ATOM 1048 CA HIS A 68 15.497 -0.357 76.516 1.00 0.00 C ATOM 1049 C HIS A 68 16.061 -0.719 77.890 1.00 0.00 C ATOM 1050 O HIS A 68 17.108 -0.246 78.281 1.00 0.00 O ATOM 1051 CB HIS A 68 15.858 1.095 76.175 1.00 0.00 C ATOM 1052 CG HIS A 68 15.044 2.032 77.033 1.00 0.00 C ATOM 1053 ND1 HIS A 68 15.310 2.230 78.382 1.00 0.00 N ATOM 1054 CD2 HIS A 68 13.946 2.808 76.754 1.00 0.00 C ATOM 1055 CE1 HIS A 68 14.388 3.090 78.857 1.00 0.00 C ATOM 1056 NE2 HIS A 68 13.535 3.473 77.907 1.00 0.00 N ATOM 0 H HIS A 68 13.631 -0.901 75.645 1.00 0.00 H new ATOM 0 HA HIS A 68 15.930 -1.020 75.767 1.00 0.00 H new ATOM 0 HB2 HIS A 68 16.922 1.265 76.341 1.00 0.00 H new ATOM 0 HB3 HIS A 68 15.665 1.291 75.120 1.00 0.00 H new ATOM 0 HD1 HIS A 68 16.066 1.802 78.916 1.00 0.00 H new ATOM 0 HD2 HIS A 68 13.473 2.890 75.787 1.00 0.00 H new ATOM 0 HE1 HIS A 68 14.345 3.428 79.882 1.00 0.00 H new ATOM 1064 N ILE A 69 15.381 -1.569 78.621 1.00 0.00 N ATOM 1065 CA ILE A 69 15.895 -1.962 79.962 1.00 0.00 C ATOM 1066 C ILE A 69 15.419 -3.345 80.323 1.00 0.00 C ATOM 1067 O ILE A 69 14.449 -3.860 79.798 1.00 0.00 O ATOM 1068 CB ILE A 69 15.454 -0.940 81.050 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.697 -0.439 81.787 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.471 -1.545 82.100 1.00 0.00 C ATOM 1071 CD1 ILE A 69 17.378 -1.588 82.528 1.00 0.00 C ATOM 0 H ILE A 69 14.499 -2.002 78.346 1.00 0.00 H new ATOM 0 HA ILE A 69 16.984 -1.965 79.918 1.00 0.00 H new ATOM 0 HB ILE A 69 14.930 -0.134 80.537 1.00 0.00 H new ATOM 0 HG12 ILE A 69 17.393 0.007 81.077 1.00 0.00 H new ATOM 0 HG13 ILE A 69 16.418 0.343 82.494 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.203 -0.781 82.830 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.571 -1.897 81.596 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.952 -2.380 82.609 1.00 0.00 H new ATOM 0 HD11 ILE A 69 18.261 -1.214 83.047 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.685 -2.015 83.253 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.675 -2.356 81.814 1.00 0.00 H new ATOM 1083 N THR A 70 16.127 -3.933 81.228 1.00 0.00 N ATOM 1084 CA THR A 70 15.802 -5.282 81.713 1.00 0.00 C ATOM 1085 C THR A 70 15.400 -5.119 83.181 1.00 0.00 C ATOM 1086 O THR A 70 15.708 -4.114 83.782 1.00 0.00 O ATOM 1087 CB THR A 70 17.027 -6.150 81.552 1.00 0.00 C ATOM 1088 OG1 THR A 70 17.012 -7.166 82.530 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.255 -5.247 81.691 1.00 0.00 C ATOM 0 H THR A 70 16.948 -3.516 81.666 1.00 0.00 H new ATOM 0 HA THR A 70 14.990 -5.756 81.162 1.00 0.00 H new ATOM 0 HB THR A 70 17.048 -6.636 80.577 1.00 0.00 H new ATOM 0 HG1 THR A 70 16.735 -8.011 82.119 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.160 -5.844 81.580 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.230 -4.478 80.919 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.250 -4.775 82.674 1.00 0.00 H new ATOM 1097 N PRO A 71 14.643 -6.026 83.704 1.00 0.00 N ATOM 1098 CA PRO A 71 14.097 -5.872 85.067 1.00 0.00 C ATOM 1099 C PRO A 71 15.125 -5.923 86.205 1.00 0.00 C ATOM 1100 O PRO A 71 14.805 -5.559 87.321 1.00 0.00 O ATOM 1101 CB PRO A 71 13.076 -7.014 85.167 1.00 0.00 C ATOM 1102 CG PRO A 71 12.896 -7.519 83.723 1.00 0.00 C ATOM 1103 CD PRO A 71 14.228 -7.272 83.042 1.00 0.00 C ATOM 0 HA PRO A 71 13.674 -4.876 85.199 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.436 -7.809 85.820 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.131 -6.663 85.583 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.636 -8.577 83.706 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.091 -6.985 83.217 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.935 -8.085 83.208 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.126 -7.154 81.963 1.00 0.00 H new ATOM 1111 N LEU A 72 16.331 -6.354 85.995 1.00 0.00 N ATOM 1112 CA LEU A 72 17.251 -6.378 87.158 1.00 0.00 C ATOM 1113 C LEU A 72 17.352 -4.964 87.714 1.00 0.00 C ATOM 1114 O LEU A 72 17.316 -4.758 88.912 1.00 0.00 O ATOM 1115 CB LEU A 72 18.654 -6.915 86.801 1.00 0.00 C ATOM 1116 CG LEU A 72 18.659 -7.782 85.518 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.364 -8.618 85.360 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.860 -6.874 84.293 1.00 0.00 C ATOM 0 H LEU A 72 16.710 -6.679 85.106 1.00 0.00 H new ATOM 0 HA LEU A 72 16.845 -7.062 87.903 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.336 -6.075 86.669 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.034 -7.506 87.634 1.00 0.00 H new ATOM 0 HG LEU A 72 19.482 -8.492 85.599 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.420 -9.207 84.444 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.255 -9.286 86.215 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.504 -7.950 85.309 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.864 -7.480 83.387 1.00 0.00 H new ATOM 0 HD22 LEU A 72 18.048 -6.149 84.240 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.811 -6.348 84.382 1.00 0.00 H new ATOM 1130 N LEU A 73 17.448 -3.981 86.869 1.00 0.00 N ATOM 1131 CA LEU A 73 17.526 -2.590 87.392 1.00 0.00 C ATOM 1132 C LEU A 73 16.183 -2.219 88.002 1.00 0.00 C ATOM 1133 O LEU A 73 16.080 -1.381 88.874 1.00 0.00 O ATOM 1134 CB LEU A 73 17.901 -1.627 86.274 1.00 0.00 C ATOM 1135 CG LEU A 73 19.216 -2.116 85.656 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.941 -3.191 84.576 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.993 -0.907 85.103 1.00 0.00 C ATOM 0 H LEU A 73 17.476 -4.075 85.854 1.00 0.00 H new ATOM 0 HA LEU A 73 18.298 -2.525 88.159 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.114 -1.592 85.520 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.015 -0.615 86.663 1.00 0.00 H new ATOM 0 HG LEU A 73 19.834 -2.593 86.417 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.886 -3.527 84.148 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.426 -4.038 85.029 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.317 -2.766 83.790 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.930 -1.247 84.662 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.394 -0.407 84.342 1.00 0.00 H new ATOM 0 HD23 LEU A 73 20.206 -0.210 85.913 1.00 0.00 H new ATOM 1149 N SER A 74 15.140 -2.843 87.571 1.00 0.00 N ATOM 1150 CA SER A 74 13.830 -2.507 88.166 1.00 0.00 C ATOM 1151 C SER A 74 13.878 -2.729 89.689 1.00 0.00 C ATOM 1152 O SER A 74 13.467 -1.883 90.464 1.00 0.00 O ATOM 1153 CB SER A 74 12.729 -3.363 87.550 1.00 0.00 C ATOM 1154 OG SER A 74 11.469 -2.896 88.017 1.00 0.00 O ATOM 0 H SER A 74 15.132 -3.560 86.845 1.00 0.00 H new ATOM 0 HA SER A 74 13.610 -1.459 87.961 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.772 -3.308 86.462 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.868 -4.409 87.822 1.00 0.00 H new ATOM 0 HG SER A 74 10.752 -3.414 87.596 1.00 0.00 H new ATOM 1160 N ALA A 75 14.388 -3.858 90.128 1.00 0.00 N ATOM 1161 CA ALA A 75 14.466 -4.123 91.613 1.00 0.00 C ATOM 1162 C ALA A 75 15.508 -3.199 92.237 1.00 0.00 C ATOM 1163 O ALA A 75 15.410 -2.814 93.383 1.00 0.00 O ATOM 1164 CB ALA A 75 14.867 -5.578 91.883 1.00 0.00 C ATOM 0 H ALA A 75 14.751 -4.603 89.534 1.00 0.00 H new ATOM 0 HA ALA A 75 13.485 -3.938 92.051 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.917 -5.748 92.958 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.127 -6.247 91.444 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.843 -5.775 91.438 1.00 0.00 H new ATOM 1170 N VAL A 76 16.507 -2.849 91.489 1.00 0.00 N ATOM 1171 CA VAL A 76 17.568 -1.954 92.020 1.00 0.00 C ATOM 1172 C VAL A 76 16.932 -0.748 92.700 1.00 0.00 C ATOM 1173 O VAL A 76 17.007 -0.593 93.904 1.00 0.00 O ATOM 1174 CB VAL A 76 18.451 -1.516 90.848 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.318 -0.303 91.219 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.332 -2.703 90.457 1.00 0.00 C ATOM 0 H VAL A 76 16.638 -3.146 90.522 1.00 0.00 H new ATOM 0 HA VAL A 76 18.175 -2.474 92.760 1.00 0.00 H new ATOM 0 HB VAL A 76 17.823 -1.212 90.011 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.932 -0.019 90.364 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.675 0.532 91.497 1.00 0.00 H new ATOM 0 HG13 VAL A 76 19.963 -0.560 92.059 1.00 0.00 H new ATOM 0 HG21 VAL A 76 19.974 -2.421 89.622 1.00 0.00 H new ATOM 0 HG22 VAL A 76 19.949 -2.994 91.307 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.702 -3.542 90.162 1.00 0.00 H new ATOM 1186 N TYR A 77 16.302 0.112 91.952 1.00 0.00 N ATOM 1187 CA TYR A 77 15.670 1.294 92.593 1.00 0.00 C ATOM 1188 C TYR A 77 14.487 0.829 93.470 1.00 0.00 C ATOM 1189 O TYR A 77 13.456 1.469 93.510 1.00 0.00 O ATOM 1190 CB TYR A 77 15.162 2.298 91.528 1.00 0.00 C ATOM 1191 CG TYR A 77 15.946 2.146 90.249 1.00 0.00 C ATOM 1192 CD1 TYR A 77 15.566 1.203 89.286 1.00 0.00 C ATOM 1193 CD2 TYR A 77 17.060 2.955 90.031 1.00 0.00 C ATOM 1194 CE1 TYR A 77 16.314 1.074 88.107 1.00 0.00 C ATOM 1195 CE2 TYR A 77 17.800 2.829 88.858 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.431 1.890 87.896 1.00 0.00 C ATOM 1197 OH TYR A 77 18.177 1.761 86.740 1.00 0.00 O ATOM 0 H TYR A 77 16.198 0.049 90.939 1.00 0.00 H new ATOM 0 HA TYR A 77 16.417 1.795 93.209 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.103 2.129 91.335 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.259 3.317 91.903 1.00 0.00 H new ATOM 0 HD1 TYR A 77 14.701 0.578 89.451 1.00 0.00 H new ATOM 0 HD2 TYR A 77 17.350 3.682 90.775 1.00 0.00 H new ATOM 0 HE1 TYR A 77 16.028 0.346 87.363 1.00 0.00 H new ATOM 0 HE2 TYR A 77 18.661 3.460 88.693 1.00 0.00 H new ATOM 0 HH TYR A 77 18.304 2.643 86.332 1.00 0.00 H new ATOM 1207 N GLU A 78 14.622 -0.280 94.169 1.00 0.00 N ATOM 1208 CA GLU A 78 13.494 -0.774 95.028 1.00 0.00 C ATOM 1209 C GLU A 78 13.983 -0.979 96.457 1.00 0.00 C ATOM 1210 O GLU A 78 13.251 -0.820 97.412 1.00 0.00 O ATOM 1211 CB GLU A 78 13.027 -2.131 94.498 1.00 0.00 C ATOM 1212 CG GLU A 78 11.579 -2.394 94.919 1.00 0.00 C ATOM 1213 CD GLU A 78 10.650 -1.460 94.138 1.00 0.00 C ATOM 1214 OE1 GLU A 78 11.095 -0.924 93.137 1.00 0.00 O ATOM 1215 OE2 GLU A 78 9.518 -1.292 94.558 1.00 0.00 O ATOM 0 H GLU A 78 15.461 -0.860 94.181 1.00 0.00 H new ATOM 0 HA GLU A 78 12.685 -0.044 95.008 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.107 -2.152 93.411 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.674 -2.921 94.880 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.315 -3.434 94.726 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.463 -2.229 95.990 1.00 0.00 H new ATOM 1222 N GLY A 79 15.208 -1.384 96.590 1.00 0.00 N ATOM 1223 CA GLY A 79 15.771 -1.673 97.927 1.00 0.00 C ATOM 1224 C GLY A 79 15.590 -3.174 98.171 1.00 0.00 C ATOM 1225 O GLY A 79 16.045 -3.718 99.159 1.00 0.00 O ATOM 0 H GLY A 79 15.854 -1.529 95.814 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.825 -1.399 97.969 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.260 -1.093 98.695 1.00 0.00 H new ATOM 1229 N HIS A 80 14.930 -3.851 97.250 1.00 0.00 N ATOM 1230 CA HIS A 80 14.717 -5.323 97.398 1.00 0.00 C ATOM 1231 C HIS A 80 16.031 -6.030 97.085 1.00 0.00 C ATOM 1232 O HIS A 80 16.574 -6.738 97.907 1.00 0.00 O ATOM 1233 CB HIS A 80 13.647 -5.804 96.405 1.00 0.00 C ATOM 1234 CG HIS A 80 12.292 -5.757 97.038 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.504 -6.887 97.118 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.578 -4.751 97.643 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.374 -6.550 97.753 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.362 -5.254 98.095 1.00 0.00 N ATOM 0 H HIS A 80 14.532 -3.441 96.405 1.00 0.00 H new ATOM 0 HA HIS A 80 14.388 -5.545 98.413 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.661 -5.178 95.513 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.871 -6.821 96.084 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.909 -3.729 97.751 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.570 -7.239 97.964 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.622 -4.747 98.581 1.00 0.00 H new ATOM 1246 N VAL A 81 16.545 -5.811 95.900 1.00 0.00 N ATOM 1247 CA VAL A 81 17.838 -6.412 95.483 1.00 0.00 C ATOM 1248 C VAL A 81 18.066 -7.784 96.135 1.00 0.00 C ATOM 1249 O VAL A 81 19.165 -8.321 96.146 1.00 0.00 O ATOM 1250 CB VAL A 81 18.949 -5.397 95.780 1.00 0.00 C ATOM 1251 CG1 VAL A 81 19.041 -4.358 94.625 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.604 -4.657 97.075 1.00 0.00 C ATOM 0 H VAL A 81 16.106 -5.225 95.190 1.00 0.00 H new ATOM 0 HA VAL A 81 17.835 -6.618 94.413 1.00 0.00 H new ATOM 0 HB VAL A 81 19.901 -5.920 95.876 1.00 0.00 H new ATOM 0 HG11 VAL A 81 19.832 -3.641 94.843 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.265 -4.872 93.690 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.091 -3.833 94.532 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.386 -3.931 97.299 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.652 -4.140 96.956 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.528 -5.373 97.894 1.00 0.00 H new ATOM 1262 N SER A 82 17.000 -8.405 96.556 1.00 0.00 N ATOM 1263 CA SER A 82 17.095 -9.791 97.057 1.00 0.00 C ATOM 1264 C SER A 82 16.948 -10.622 95.784 1.00 0.00 C ATOM 1265 O SER A 82 17.321 -11.770 95.711 1.00 0.00 O ATOM 1266 CB SER A 82 15.968 -10.103 98.062 1.00 0.00 C ATOM 1267 OG SER A 82 16.509 -10.118 99.375 1.00 0.00 O ATOM 0 H SER A 82 16.063 -8.003 96.572 1.00 0.00 H new ATOM 0 HA SER A 82 18.020 -9.990 97.598 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.180 -9.354 97.988 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.514 -11.067 97.831 1.00 0.00 H new ATOM 0 HG SER A 82 15.797 -10.314 100.020 1.00 0.00 H new ATOM 1273 N CYS A 83 16.405 -9.977 94.767 1.00 0.00 N ATOM 1274 CA CYS A 83 16.206 -10.616 93.438 1.00 0.00 C ATOM 1275 C CYS A 83 17.505 -10.467 92.620 1.00 0.00 C ATOM 1276 O CYS A 83 18.119 -11.444 92.249 1.00 0.00 O ATOM 1277 CB CYS A 83 15.036 -9.923 92.710 1.00 0.00 C ATOM 1278 SG CYS A 83 14.712 -8.304 93.462 1.00 0.00 S ATOM 0 H CYS A 83 16.087 -9.009 94.816 1.00 0.00 H new ATOM 0 HA CYS A 83 15.970 -11.674 93.556 1.00 0.00 H new ATOM 0 HB2 CYS A 83 15.275 -9.802 91.653 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.142 -10.545 92.766 1.00 0.00 H new ATOM 0 HG CYS A 83 15.832 -7.658 93.601 1.00 0.00 H new ATOM 1284 N VAL A 84 17.931 -9.240 92.358 1.00 0.00 N ATOM 1285 CA VAL A 84 19.201 -9.006 91.576 1.00 0.00 C ATOM 1286 C VAL A 84 20.223 -10.068 91.949 1.00 0.00 C ATOM 1287 O VAL A 84 21.045 -10.474 91.152 1.00 0.00 O ATOM 1288 CB VAL A 84 19.793 -7.653 91.949 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.802 -6.542 91.600 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.117 -7.649 93.446 1.00 0.00 C ATOM 0 H VAL A 84 17.451 -8.390 92.654 1.00 0.00 H new ATOM 0 HA VAL A 84 18.969 -9.043 90.512 1.00 0.00 H new ATOM 0 HB VAL A 84 20.711 -7.476 91.388 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.229 -5.576 91.868 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.594 -6.562 90.530 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.875 -6.695 92.152 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.542 -6.684 93.724 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.204 -7.821 94.016 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.836 -8.438 93.665 1.00 0.00 H new ATOM 1300 N LYS A 85 20.175 -10.498 93.169 1.00 0.00 N ATOM 1301 CA LYS A 85 21.128 -11.521 93.644 1.00 0.00 C ATOM 1302 C LYS A 85 20.759 -12.882 93.030 1.00 0.00 C ATOM 1303 O LYS A 85 21.489 -13.430 92.216 1.00 0.00 O ATOM 1304 CB LYS A 85 21.043 -11.578 95.177 1.00 0.00 C ATOM 1305 CG LYS A 85 21.838 -10.416 95.810 1.00 0.00 C ATOM 1306 CD LYS A 85 22.456 -10.868 97.138 1.00 0.00 C ATOM 1307 CE LYS A 85 23.772 -11.610 96.877 1.00 0.00 C ATOM 1308 NZ LYS A 85 24.087 -12.478 98.046 1.00 0.00 N ATOM 0 H LYS A 85 19.505 -10.178 93.868 1.00 0.00 H new ATOM 0 HA LYS A 85 22.146 -11.273 93.344 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.000 -11.526 95.491 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.436 -12.531 95.533 1.00 0.00 H new ATOM 0 HG2 LYS A 85 22.622 -10.086 95.128 1.00 0.00 H new ATOM 0 HG3 LYS A 85 21.181 -9.563 95.977 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.637 -10.004 97.778 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.761 -11.518 97.669 1.00 0.00 H new ATOM 0 HE2 LYS A 85 23.690 -12.213 95.973 1.00 0.00 H new ATOM 0 HE3 LYS A 85 24.579 -10.896 96.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 24.979 -12.983 97.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 24.182 -11.891 98.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 23.320 -13.167 98.183 1.00 0.00 H new ATOM 1322 N LEU A 86 19.636 -13.435 93.397 1.00 0.00 N ATOM 1323 CA LEU A 86 19.240 -14.747 92.824 1.00 0.00 C ATOM 1324 C LEU A 86 19.008 -14.573 91.320 1.00 0.00 C ATOM 1325 O LEU A 86 18.755 -15.515 90.601 1.00 0.00 O ATOM 1326 CB LEU A 86 17.996 -15.271 93.604 1.00 0.00 C ATOM 1327 CG LEU A 86 16.721 -15.499 92.752 1.00 0.00 C ATOM 1328 CD1 LEU A 86 16.332 -14.241 91.955 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.870 -16.740 91.837 1.00 0.00 C ATOM 0 H LEU A 86 18.979 -13.035 94.067 1.00 0.00 H new ATOM 0 HA LEU A 86 20.019 -15.501 92.933 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.262 -16.211 94.087 1.00 0.00 H new ATOM 0 HB3 LEU A 86 17.760 -14.561 94.396 1.00 0.00 H new ATOM 0 HG LEU A 86 15.900 -15.700 93.441 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.434 -14.443 91.372 1.00 0.00 H new ATOM 0 HD12 LEU A 86 16.140 -13.419 92.644 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.147 -13.969 91.284 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.959 -16.873 91.253 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.715 -16.596 91.164 1.00 0.00 H new ATOM 0 HD23 LEU A 86 17.040 -17.625 92.450 1.00 0.00 H new ATOM 1341 N LEU A 87 19.100 -13.363 90.834 1.00 0.00 N ATOM 1342 CA LEU A 87 18.870 -13.127 89.382 1.00 0.00 C ATOM 1343 C LEU A 87 20.059 -13.591 88.531 1.00 0.00 C ATOM 1344 O LEU A 87 19.958 -14.577 87.828 1.00 0.00 O ATOM 1345 CB LEU A 87 18.613 -11.632 89.162 1.00 0.00 C ATOM 1346 CG LEU A 87 17.210 -11.409 88.596 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.893 -9.923 88.636 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.148 -11.882 87.151 1.00 0.00 C ATOM 0 H LEU A 87 19.324 -12.531 91.380 1.00 0.00 H new ATOM 0 HA LEU A 87 18.005 -13.711 89.068 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.721 -11.096 90.105 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.357 -11.226 88.477 1.00 0.00 H new ATOM 0 HG LEU A 87 16.490 -11.970 89.192 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.894 -9.753 88.234 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.935 -9.570 89.666 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.623 -9.379 88.036 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.145 -11.719 86.757 1.00 0.00 H new ATOM 0 HD22 LEU A 87 17.868 -11.322 86.554 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.387 -12.944 87.105 1.00 0.00 H new ATOM 1360 N LEU A 88 21.168 -12.900 88.538 1.00 0.00 N ATOM 1361 CA LEU A 88 22.276 -13.367 87.667 1.00 0.00 C ATOM 1362 C LEU A 88 22.505 -14.859 87.899 1.00 0.00 C ATOM 1363 O LEU A 88 23.159 -15.526 87.123 1.00 0.00 O ATOM 1364 CB LEU A 88 23.557 -12.549 87.875 1.00 0.00 C ATOM 1365 CG LEU A 88 24.234 -12.839 89.226 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.203 -12.804 90.344 1.00 0.00 C ATOM 1367 CD2 LEU A 88 24.937 -14.209 89.208 1.00 0.00 C ATOM 0 H LEU A 88 21.349 -12.061 89.090 1.00 0.00 H new ATOM 0 HA LEU A 88 21.992 -13.213 86.626 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.257 -12.767 87.068 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.319 -11.487 87.813 1.00 0.00 H new ATOM 0 HG LEU A 88 24.985 -12.069 89.402 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.692 -13.010 91.296 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.739 -11.818 90.380 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.438 -13.558 90.158 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.407 -14.389 90.175 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.204 -14.991 89.009 1.00 0.00 H new ATOM 0 HD23 LEU A 88 25.698 -14.217 88.427 1.00 0.00 H new ATOM 1379 N SER A 89 21.920 -15.397 88.934 1.00 0.00 N ATOM 1380 CA SER A 89 22.054 -16.856 89.178 1.00 0.00 C ATOM 1381 C SER A 89 21.585 -17.569 87.907 1.00 0.00 C ATOM 1382 O SER A 89 21.912 -18.712 87.656 1.00 0.00 O ATOM 1383 CB SER A 89 21.166 -17.276 90.363 1.00 0.00 C ATOM 1384 OG SER A 89 19.934 -17.796 89.876 1.00 0.00 O ATOM 0 H SER A 89 21.358 -14.890 89.617 1.00 0.00 H new ATOM 0 HA SER A 89 23.086 -17.114 89.416 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.677 -18.028 90.965 1.00 0.00 H new ATOM 0 HB3 SER A 89 20.980 -16.420 91.012 1.00 0.00 H new ATOM 0 HG SER A 89 19.249 -17.096 89.906 1.00 0.00 H new ATOM 1390 N LYS A 90 20.810 -16.877 87.101 1.00 0.00 N ATOM 1391 CA LYS A 90 20.286 -17.462 85.834 1.00 0.00 C ATOM 1392 C LYS A 90 20.999 -16.821 84.633 1.00 0.00 C ATOM 1393 O LYS A 90 21.028 -17.371 83.551 1.00 0.00 O ATOM 1394 CB LYS A 90 18.783 -17.155 85.740 1.00 0.00 C ATOM 1395 CG LYS A 90 17.984 -17.930 86.818 1.00 0.00 C ATOM 1396 CD LYS A 90 17.563 -16.996 87.972 1.00 0.00 C ATOM 1397 CE LYS A 90 16.321 -16.189 87.585 1.00 0.00 C ATOM 1398 NZ LYS A 90 16.084 -15.147 88.621 1.00 0.00 N ATOM 0 H LYS A 90 20.517 -15.916 87.276 1.00 0.00 H new ATOM 0 HA LYS A 90 20.459 -18.538 85.826 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.620 -16.084 85.862 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.416 -17.422 84.749 1.00 0.00 H new ATOM 0 HG2 LYS A 90 17.099 -18.379 86.367 1.00 0.00 H new ATOM 0 HG3 LYS A 90 18.591 -18.746 87.209 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.357 -17.584 88.867 1.00 0.00 H new ATOM 0 HD3 LYS A 90 18.382 -16.319 88.217 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.461 -15.725 86.609 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.454 -16.845 87.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.128 -15.259 89.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 16.785 -15.248 89.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.173 -14.204 88.192 1.00 0.00 H new ATOM 1412 N GLY A 91 21.570 -15.659 84.811 1.00 0.00 N ATOM 1413 CA GLY A 91 22.272 -14.980 83.682 1.00 0.00 C ATOM 1414 C GLY A 91 22.013 -13.470 83.748 1.00 0.00 C ATOM 1415 O GLY A 91 22.648 -12.758 84.496 1.00 0.00 O ATOM 0 H GLY A 91 21.580 -15.149 85.694 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.343 -15.178 83.735 1.00 0.00 H new ATOM 0 HA3 GLY A 91 21.921 -15.378 82.730 1.00 0.00 H new ATOM 1419 N ALA A 92 21.075 -12.983 82.972 1.00 0.00 N ATOM 1420 CA ALA A 92 20.758 -11.521 82.985 1.00 0.00 C ATOM 1421 C ALA A 92 22.035 -10.723 82.805 1.00 0.00 C ATOM 1422 O ALA A 92 22.036 -9.510 82.897 1.00 0.00 O ATOM 1423 CB ALA A 92 20.093 -11.154 84.320 1.00 0.00 C ATOM 0 H ALA A 92 20.513 -13.539 82.327 1.00 0.00 H new ATOM 0 HA ALA A 92 20.075 -11.288 82.169 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.862 -10.089 84.331 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.173 -11.726 84.438 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.772 -11.386 85.141 1.00 0.00 H new ATOM 1429 N ASP A 93 23.113 -11.392 82.525 1.00 0.00 N ATOM 1430 CA ASP A 93 24.387 -10.680 82.321 1.00 0.00 C ATOM 1431 C ASP A 93 24.508 -9.612 83.399 1.00 0.00 C ATOM 1432 O ASP A 93 24.895 -9.882 84.523 1.00 0.00 O ATOM 1433 CB ASP A 93 24.362 -10.026 80.936 1.00 0.00 C ATOM 1434 CG ASP A 93 24.835 -11.019 79.867 1.00 0.00 C ATOM 1435 OD1 ASP A 93 24.701 -12.213 80.091 1.00 0.00 O ATOM 1436 OD2 ASP A 93 25.311 -10.568 78.839 1.00 0.00 O ATOM 0 H ASP A 93 23.161 -12.406 82.429 1.00 0.00 H new ATOM 0 HA ASP A 93 25.235 -11.363 82.382 1.00 0.00 H new ATOM 0 HB2 ASP A 93 23.352 -9.687 80.705 1.00 0.00 H new ATOM 0 HB3 ASP A 93 25.003 -9.144 80.932 1.00 0.00 H new ATOM 1441 N LYS A 94 24.172 -8.411 83.059 1.00 0.00 N ATOM 1442 CA LYS A 94 24.245 -7.311 84.036 1.00 0.00 C ATOM 1443 C LYS A 94 23.489 -6.123 83.470 1.00 0.00 C ATOM 1444 O LYS A 94 22.435 -5.736 83.937 1.00 0.00 O ATOM 1445 CB LYS A 94 25.701 -6.931 84.212 1.00 0.00 C ATOM 1446 CG LYS A 94 25.835 -5.838 85.271 1.00 0.00 C ATOM 1447 CD LYS A 94 27.199 -5.150 85.127 1.00 0.00 C ATOM 1448 CE LYS A 94 27.095 -4.003 84.114 1.00 0.00 C ATOM 1449 NZ LYS A 94 28.454 -3.510 83.749 1.00 0.00 N ATOM 0 H LYS A 94 23.845 -8.142 82.131 1.00 0.00 H new ATOM 0 HA LYS A 94 23.815 -7.609 84.992 1.00 0.00 H new ATOM 0 HB2 LYS A 94 26.280 -7.806 84.507 1.00 0.00 H new ATOM 0 HB3 LYS A 94 26.111 -6.582 83.264 1.00 0.00 H new ATOM 0 HG2 LYS A 94 25.034 -5.108 85.158 1.00 0.00 H new ATOM 0 HG3 LYS A 94 25.736 -6.268 86.268 1.00 0.00 H new ATOM 0 HD2 LYS A 94 27.527 -4.766 86.093 1.00 0.00 H new ATOM 0 HD3 LYS A 94 27.948 -5.871 84.799 1.00 0.00 H new ATOM 0 HE2 LYS A 94 26.572 -4.344 83.220 1.00 0.00 H new ATOM 0 HE3 LYS A 94 26.506 -3.188 84.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 28.369 -2.733 83.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 28.939 -3.166 84.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 29.003 -4.286 83.327 1.00 0.00 H new ATOM 1463 N THR A 95 24.049 -5.556 82.443 1.00 0.00 N ATOM 1464 CA THR A 95 23.434 -4.380 81.771 1.00 0.00 C ATOM 1465 C THR A 95 23.332 -4.714 80.305 1.00 0.00 C ATOM 1466 O THR A 95 23.781 -3.993 79.438 1.00 0.00 O ATOM 1467 CB THR A 95 24.321 -3.155 81.963 1.00 0.00 C ATOM 1468 OG1 THR A 95 24.691 -3.072 83.320 1.00 0.00 O ATOM 1469 CG2 THR A 95 23.562 -1.892 81.582 1.00 0.00 C ATOM 0 H THR A 95 24.929 -5.865 82.030 1.00 0.00 H new ATOM 0 HA THR A 95 22.452 -4.159 82.189 1.00 0.00 H new ATOM 0 HB THR A 95 25.203 -3.247 81.330 1.00 0.00 H new ATOM 0 HG1 THR A 95 23.950 -3.383 83.881 1.00 0.00 H new ATOM 0 HG21 THR A 95 24.206 -1.024 81.723 1.00 0.00 H new ATOM 0 HG22 THR A 95 23.258 -1.952 80.537 1.00 0.00 H new ATOM 0 HG23 THR A 95 22.678 -1.795 82.212 1.00 0.00 H new ATOM 1477 N VAL A 96 22.758 -5.830 80.032 1.00 0.00 N ATOM 1478 CA VAL A 96 22.632 -6.270 78.641 1.00 0.00 C ATOM 1479 C VAL A 96 21.610 -5.363 77.941 1.00 0.00 C ATOM 1480 O VAL A 96 21.195 -5.636 76.839 1.00 0.00 O ATOM 1481 CB VAL A 96 22.198 -7.770 78.656 1.00 0.00 C ATOM 1482 CG1 VAL A 96 20.963 -8.054 77.782 1.00 0.00 C ATOM 1483 CG2 VAL A 96 23.353 -8.655 78.180 1.00 0.00 C ATOM 0 H VAL A 96 22.364 -6.466 80.725 1.00 0.00 H new ATOM 0 HA VAL A 96 23.570 -6.194 78.090 1.00 0.00 H new ATOM 0 HB VAL A 96 21.931 -8.000 79.687 1.00 0.00 H new ATOM 0 HG11 VAL A 96 20.714 -9.114 77.837 1.00 0.00 H new ATOM 0 HG12 VAL A 96 20.120 -7.464 78.141 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.179 -7.785 76.748 1.00 0.00 H new ATOM 0 HG21 VAL A 96 23.041 -9.699 78.194 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.633 -8.373 77.165 1.00 0.00 H new ATOM 0 HG23 VAL A 96 24.209 -8.523 78.842 1.00 0.00 H new ATOM 1493 N LYS A 97 21.209 -4.260 78.551 1.00 0.00 N ATOM 1494 CA LYS A 97 20.223 -3.380 77.840 1.00 0.00 C ATOM 1495 C LYS A 97 20.114 -1.985 78.477 1.00 0.00 C ATOM 1496 O LYS A 97 19.513 -1.099 77.901 1.00 0.00 O ATOM 1497 CB LYS A 97 18.838 -4.053 77.840 1.00 0.00 C ATOM 1498 CG LYS A 97 18.035 -3.663 76.579 1.00 0.00 C ATOM 1499 CD LYS A 97 18.442 -4.544 75.378 1.00 0.00 C ATOM 1500 CE LYS A 97 17.619 -5.841 75.353 1.00 0.00 C ATOM 1501 NZ LYS A 97 16.256 -5.557 74.817 1.00 0.00 N ATOM 0 H LYS A 97 21.510 -3.944 79.473 1.00 0.00 H new ATOM 0 HA LYS A 97 20.583 -3.247 76.820 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.956 -5.136 77.881 1.00 0.00 H new ATOM 0 HB3 LYS A 97 18.286 -3.759 78.733 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.968 -3.774 76.773 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.208 -2.613 76.342 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.291 -3.994 74.449 1.00 0.00 H new ATOM 0 HD3 LYS A 97 19.504 -4.782 75.439 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.116 -6.588 74.734 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.546 -6.257 76.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.560 -6.159 75.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.021 -4.557 74.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.235 -5.757 73.797 1.00 0.00 H new ATOM 1515 N GLY A 98 20.667 -1.750 79.636 1.00 0.00 N ATOM 1516 CA GLY A 98 20.538 -0.385 80.212 1.00 0.00 C ATOM 1517 C GLY A 98 21.423 0.577 79.400 1.00 0.00 C ATOM 1518 O GLY A 98 22.238 0.141 78.611 1.00 0.00 O ATOM 0 H GLY A 98 21.189 -2.425 80.195 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.498 -0.059 80.182 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.842 -0.386 81.259 1.00 0.00 H new ATOM 1522 N PRO A 99 21.246 1.853 79.615 1.00 0.00 N ATOM 1523 CA PRO A 99 22.025 2.880 78.899 1.00 0.00 C ATOM 1524 C PRO A 99 23.491 2.470 78.863 1.00 0.00 C ATOM 1525 O PRO A 99 23.996 2.000 77.859 1.00 0.00 O ATOM 1526 CB PRO A 99 21.792 4.171 79.712 1.00 0.00 C ATOM 1527 CG PRO A 99 20.645 3.874 80.723 1.00 0.00 C ATOM 1528 CD PRO A 99 20.289 2.376 80.600 1.00 0.00 C ATOM 0 HA PRO A 99 21.727 3.016 77.859 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.701 4.465 80.236 1.00 0.00 H new ATOM 0 HB3 PRO A 99 21.522 4.997 79.054 1.00 0.00 H new ATOM 0 HG2 PRO A 99 20.960 4.110 81.739 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.774 4.493 80.507 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.385 1.865 81.558 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.260 2.238 80.267 1.00 0.00 H new ATOM 1536 N ASP A 100 24.173 2.633 79.944 1.00 0.00 N ATOM 1537 CA ASP A 100 25.601 2.249 79.980 1.00 0.00 C ATOM 1538 C ASP A 100 26.008 1.987 81.421 1.00 0.00 C ATOM 1539 O ASP A 100 25.485 1.107 82.087 1.00 0.00 O ATOM 1540 CB ASP A 100 26.429 3.398 79.405 1.00 0.00 C ATOM 1541 CG ASP A 100 27.903 2.997 79.326 1.00 0.00 C ATOM 1542 OD1 ASP A 100 28.240 1.942 79.837 1.00 0.00 O ATOM 1543 OD2 ASP A 100 28.673 3.755 78.758 1.00 0.00 O ATOM 0 H ASP A 100 23.804 3.018 80.813 1.00 0.00 H new ATOM 0 HA ASP A 100 25.769 1.347 79.391 1.00 0.00 H new ATOM 0 HB2 ASP A 100 26.062 3.660 78.413 1.00 0.00 H new ATOM 0 HB3 ASP A 100 26.318 4.284 80.030 1.00 0.00 H new ATOM 1548 N GLY A 101 26.940 2.737 81.907 1.00 0.00 N ATOM 1549 CA GLY A 101 27.394 2.527 83.296 1.00 0.00 C ATOM 1550 C GLY A 101 26.235 2.724 84.274 1.00 0.00 C ATOM 1551 O GLY A 101 26.412 2.627 85.480 1.00 0.00 O ATOM 0 H GLY A 101 27.409 3.489 81.402 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.801 1.522 83.404 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.198 3.224 83.531 1.00 0.00 H new ATOM 1555 N LEU A 102 25.040 2.974 83.796 1.00 0.00 N ATOM 1556 CA LEU A 102 23.928 3.160 84.759 1.00 0.00 C ATOM 1557 C LEU A 102 23.930 1.999 85.689 1.00 0.00 C ATOM 1558 O LEU A 102 24.320 2.133 86.829 1.00 0.00 O ATOM 1559 CB LEU A 102 22.568 3.248 84.055 1.00 0.00 C ATOM 1560 CG LEU A 102 21.448 3.703 85.028 1.00 0.00 C ATOM 1561 CD1 LEU A 102 20.123 3.793 84.267 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.291 2.724 86.208 1.00 0.00 C ATOM 0 H LEU A 102 24.797 3.054 82.809 1.00 0.00 H new ATOM 0 HA LEU A 102 24.078 4.098 85.293 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.634 3.948 83.222 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.312 2.276 83.634 1.00 0.00 H new ATOM 0 HG LEU A 102 21.724 4.678 85.430 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.334 4.112 84.947 1.00 0.00 H new ATOM 0 HD12 LEU A 102 20.217 4.515 83.456 1.00 0.00 H new ATOM 0 HD13 LEU A 102 19.873 2.815 83.855 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.498 3.075 86.869 1.00 0.00 H new ATOM 0 HD22 LEU A 102 21.036 1.735 85.828 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.228 2.670 86.763 1.00 0.00 H new ATOM 1574 N THR A 103 23.466 0.873 85.231 1.00 0.00 N ATOM 1575 CA THR A 103 23.390 -0.285 86.131 1.00 0.00 C ATOM 1576 C THR A 103 23.283 0.276 87.534 1.00 0.00 C ATOM 1577 O THR A 103 22.316 0.921 87.902 1.00 0.00 O ATOM 1578 CB THR A 103 24.653 -1.148 86.000 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.813 -1.935 87.171 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.876 -0.251 85.807 1.00 0.00 C ATOM 0 H THR A 103 23.140 0.714 84.278 1.00 0.00 H new ATOM 0 HA THR A 103 22.537 -0.919 85.889 1.00 0.00 H new ATOM 0 HB THR A 103 24.554 -1.804 85.135 1.00 0.00 H new ATOM 0 HG1 THR A 103 25.519 -2.598 87.025 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.769 -0.869 85.715 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.751 0.344 84.903 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.980 0.412 86.666 1.00 0.00 H new ATOM 1588 N ALA A 104 24.263 0.062 88.311 1.00 0.00 N ATOM 1589 CA ALA A 104 24.221 0.575 89.691 1.00 0.00 C ATOM 1590 C ALA A 104 24.904 1.929 89.838 1.00 0.00 C ATOM 1591 O ALA A 104 24.575 2.694 90.720 1.00 0.00 O ATOM 1592 CB ALA A 104 24.936 -0.415 90.556 1.00 0.00 C ATOM 0 H ALA A 104 25.108 -0.451 88.060 1.00 0.00 H new ATOM 0 HA ALA A 104 23.178 0.707 89.978 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.926 -0.069 91.590 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.436 -1.382 90.492 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.967 -0.516 90.217 1.00 0.00 H new ATOM 1598 N LEU A 105 25.881 2.228 89.043 1.00 0.00 N ATOM 1599 CA LEU A 105 26.588 3.513 89.229 1.00 0.00 C ATOM 1600 C LEU A 105 25.628 4.686 89.300 1.00 0.00 C ATOM 1601 O LEU A 105 25.619 5.430 90.261 1.00 0.00 O ATOM 1602 CB LEU A 105 27.505 3.776 88.049 1.00 0.00 C ATOM 1603 CG LEU A 105 28.315 2.548 87.713 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.328 2.941 86.642 1.00 0.00 C ATOM 1605 CD2 LEU A 105 29.044 2.049 88.964 1.00 0.00 C ATOM 0 H LEU A 105 26.219 1.644 88.278 1.00 0.00 H new ATOM 0 HA LEU A 105 27.141 3.429 90.164 1.00 0.00 H new ATOM 0 HB2 LEU A 105 26.914 4.075 87.183 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.173 4.605 88.280 1.00 0.00 H new ATOM 0 HG LEU A 105 27.668 1.749 87.351 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.931 2.073 86.376 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.802 3.302 85.758 1.00 0.00 H new ATOM 0 HD13 LEU A 105 29.976 3.729 87.026 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.627 1.162 88.716 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.709 2.829 89.333 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.315 1.800 89.735 1.00 0.00 H new ATOM 1617 N GLU A 106 24.874 4.914 88.277 1.00 0.00 N ATOM 1618 CA GLU A 106 23.997 6.099 88.294 1.00 0.00 C ATOM 1619 C GLU A 106 22.683 5.801 89.012 1.00 0.00 C ATOM 1620 O GLU A 106 21.898 6.693 89.272 1.00 0.00 O ATOM 1621 CB GLU A 106 23.702 6.508 86.856 1.00 0.00 C ATOM 1622 CG GLU A 106 25.011 6.786 86.110 1.00 0.00 C ATOM 1623 CD GLU A 106 25.602 8.121 86.581 1.00 0.00 C ATOM 1624 OE1 GLU A 106 25.038 9.151 86.241 1.00 0.00 O ATOM 1625 OE2 GLU A 106 26.609 8.092 87.268 1.00 0.00 O ATOM 0 H GLU A 106 24.826 4.338 87.437 1.00 0.00 H new ATOM 0 HA GLU A 106 24.503 6.903 88.828 1.00 0.00 H new ATOM 0 HB2 GLU A 106 23.147 5.717 86.351 1.00 0.00 H new ATOM 0 HB3 GLU A 106 23.072 7.397 86.844 1.00 0.00 H new ATOM 0 HG2 GLU A 106 25.722 5.979 86.290 1.00 0.00 H new ATOM 0 HG3 GLU A 106 24.829 6.817 85.036 1.00 0.00 H new ATOM 1632 N ALA A 107 22.415 4.564 89.311 1.00 0.00 N ATOM 1633 CA ALA A 107 21.123 4.243 89.978 1.00 0.00 C ATOM 1634 C ALA A 107 21.120 4.570 91.475 1.00 0.00 C ATOM 1635 O ALA A 107 20.096 4.945 92.016 1.00 0.00 O ATOM 1636 CB ALA A 107 20.846 2.751 89.855 1.00 0.00 C ATOM 0 H ALA A 107 23.025 3.768 89.126 1.00 0.00 H new ATOM 0 HA ALA A 107 20.367 4.852 89.482 1.00 0.00 H new ATOM 0 HB1 ALA A 107 19.900 2.515 90.343 1.00 0.00 H new ATOM 0 HB2 ALA A 107 20.789 2.477 88.802 1.00 0.00 H new ATOM 0 HB3 ALA A 107 21.650 2.191 90.332 1.00 0.00 H new ATOM 1642 N THR A 108 22.198 4.343 92.181 1.00 0.00 N ATOM 1643 CA THR A 108 22.134 4.556 93.649 1.00 0.00 C ATOM 1644 C THR A 108 23.506 4.740 94.310 1.00 0.00 C ATOM 1645 O THR A 108 24.455 5.235 93.734 1.00 0.00 O ATOM 1646 CB THR A 108 21.540 3.276 94.207 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.395 3.388 95.613 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.492 2.116 93.859 1.00 0.00 C ATOM 0 H THR A 108 23.095 4.028 91.813 1.00 0.00 H new ATOM 0 HA THR A 108 21.563 5.463 93.848 1.00 0.00 H new ATOM 0 HB THR A 108 20.556 3.092 93.775 1.00 0.00 H new ATOM 0 HG1 THR A 108 20.485 3.129 95.870 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.087 1.183 94.250 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.594 2.042 92.776 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.470 2.302 94.304 1.00 0.00 H new ATOM 1656 N ASP A 109 23.574 4.304 95.548 1.00 0.00 N ATOM 1657 CA ASP A 109 24.821 4.371 96.352 1.00 0.00 C ATOM 1658 C ASP A 109 24.791 3.265 97.410 1.00 0.00 C ATOM 1659 O ASP A 109 25.756 3.046 98.121 1.00 0.00 O ATOM 1660 CB ASP A 109 24.923 5.730 97.039 1.00 0.00 C ATOM 1661 CG ASP A 109 26.105 5.730 98.013 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.233 5.716 97.545 1.00 0.00 O ATOM 1663 OD2 ASP A 109 25.863 5.752 99.207 1.00 0.00 O ATOM 0 H ASP A 109 22.783 3.892 96.043 1.00 0.00 H new ATOM 0 HA ASP A 109 25.683 4.237 95.699 1.00 0.00 H new ATOM 0 HB2 ASP A 109 25.053 6.515 96.295 1.00 0.00 H new ATOM 0 HB3 ASP A 109 23.999 5.948 97.574 1.00 0.00 H new ATOM 1668 N ASN A 110 23.698 2.548 97.510 1.00 0.00 N ATOM 1669 CA ASN A 110 23.633 1.446 98.507 1.00 0.00 C ATOM 1670 C ASN A 110 24.415 0.288 97.911 1.00 0.00 C ATOM 1671 O ASN A 110 24.250 -0.073 96.765 1.00 0.00 O ATOM 1672 CB ASN A 110 22.182 1.060 98.785 1.00 0.00 C ATOM 1673 CG ASN A 110 21.432 1.047 97.472 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.120 1.017 96.379 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 20.219 1.072 97.438 1.00 0.00 N flip ATOM 0 H ASN A 110 22.857 2.680 96.948 1.00 0.00 H new ATOM 0 HA ASN A 110 24.059 1.744 99.465 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.134 0.079 99.259 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.726 1.770 99.475 1.00 0.00 H new ATOM 0 HD21 ASN A 110 19.685 1.096 98.307 1.00 0.00 H new ATOM 0 HD22 ASN A 110 19.734 1.069 96.541 1.00 0.00 H new ATOM 1682 N GLN A 111 25.324 -0.226 98.660 1.00 0.00 N ATOM 1683 CA GLN A 111 26.221 -1.285 98.152 1.00 0.00 C ATOM 1684 C GLN A 111 25.513 -2.634 97.924 1.00 0.00 C ATOM 1685 O GLN A 111 26.147 -3.618 97.611 1.00 0.00 O ATOM 1686 CB GLN A 111 27.364 -1.394 99.153 1.00 0.00 C ATOM 1687 CG GLN A 111 28.192 -2.648 98.886 1.00 0.00 C ATOM 1688 CD GLN A 111 29.569 -2.499 99.524 1.00 0.00 C ATOM 1689 OE1 GLN A 111 29.924 -3.238 100.418 1.00 0.00 O ATOM 1690 NE2 GLN A 111 30.372 -1.569 99.095 1.00 0.00 N ATOM 0 H GLN A 111 25.492 0.046 99.629 1.00 0.00 H new ATOM 0 HA GLN A 111 26.588 -1.017 97.161 1.00 0.00 H new ATOM 0 HB2 GLN A 111 27.999 -0.511 99.086 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.965 -1.424 100.167 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.685 -3.524 99.292 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.293 -2.807 97.812 1.00 0.00 H new ATOM 0 HE21 GLN A 111 30.076 -0.946 98.343 1.00 0.00 H new ATOM 0 HE22 GLN A 111 31.298 -1.463 99.510 1.00 0.00 H new ATOM 1699 N ALA A 112 24.212 -2.694 98.011 1.00 0.00 N ATOM 1700 CA ALA A 112 23.526 -3.995 97.731 1.00 0.00 C ATOM 1701 C ALA A 112 23.355 -4.107 96.216 1.00 0.00 C ATOM 1702 O ALA A 112 23.532 -5.149 95.597 1.00 0.00 O ATOM 1703 CB ALA A 112 22.144 -4.016 98.405 1.00 0.00 C ATOM 0 H ALA A 112 23.601 -1.916 98.259 1.00 0.00 H new ATOM 0 HA ALA A 112 24.113 -4.827 98.120 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.652 -4.966 98.196 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.263 -3.898 99.482 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.537 -3.199 98.015 1.00 0.00 H new ATOM 1709 N ILE A 113 23.053 -2.997 95.630 1.00 0.00 N ATOM 1710 CA ILE A 113 22.879 -2.915 94.164 1.00 0.00 C ATOM 1711 C ILE A 113 24.241 -2.988 93.546 1.00 0.00 C ATOM 1712 O ILE A 113 24.520 -3.813 92.696 1.00 0.00 O ATOM 1713 CB ILE A 113 22.281 -1.548 93.800 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.844 -1.420 94.311 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.284 -1.338 92.272 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.741 -1.781 95.786 1.00 0.00 C ATOM 0 H ILE A 113 22.915 -2.114 96.121 1.00 0.00 H new ATOM 0 HA ILE A 113 22.228 -3.717 93.815 1.00 0.00 H new ATOM 0 HB ILE A 113 22.901 -0.789 94.276 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.493 -0.399 94.160 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.191 -2.071 93.730 1.00 0.00 H new ATOM 0 HG21 ILE A 113 21.856 -0.363 92.038 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.308 -1.383 91.900 1.00 0.00 H new ATOM 0 HG23 ILE A 113 21.690 -2.119 91.796 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.707 -1.679 96.114 1.00 0.00 H new ATOM 0 HD12 ILE A 113 21.068 -2.810 95.932 1.00 0.00 H new ATOM 0 HD13 ILE A 113 21.375 -1.113 96.369 1.00 0.00 H new ATOM 1728 N LYS A 114 25.093 -2.110 93.950 1.00 0.00 N ATOM 1729 CA LYS A 114 26.426 -2.108 93.360 1.00 0.00 C ATOM 1730 C LYS A 114 27.020 -3.513 93.525 1.00 0.00 C ATOM 1731 O LYS A 114 28.007 -3.877 92.907 1.00 0.00 O ATOM 1732 CB LYS A 114 27.258 -0.976 93.989 1.00 0.00 C ATOM 1733 CG LYS A 114 26.316 0.213 94.319 1.00 0.00 C ATOM 1734 CD LYS A 114 27.027 1.564 94.117 1.00 0.00 C ATOM 1735 CE LYS A 114 27.159 1.918 92.622 1.00 0.00 C ATOM 1736 NZ LYS A 114 28.592 1.820 92.225 1.00 0.00 N ATOM 0 H LYS A 114 24.920 -1.399 94.660 1.00 0.00 H new ATOM 0 HA LYS A 114 26.411 -1.897 92.291 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.752 -1.329 94.894 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.042 -0.657 93.302 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.432 0.166 93.683 1.00 0.00 H new ATOM 0 HG3 LYS A 114 25.972 0.132 95.350 1.00 0.00 H new ATOM 0 HD2 LYS A 114 26.471 2.349 94.630 1.00 0.00 H new ATOM 0 HD3 LYS A 114 28.017 1.526 94.571 1.00 0.00 H new ATOM 0 HE2 LYS A 114 26.554 1.240 92.020 1.00 0.00 H new ATOM 0 HE3 LYS A 114 26.786 2.926 92.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 28.846 2.639 91.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 29.188 1.807 93.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 28.743 0.945 91.683 1.00 0.00 H new ATOM 1750 N ALA A 115 26.355 -4.345 94.288 1.00 0.00 N ATOM 1751 CA ALA A 115 26.809 -5.736 94.408 1.00 0.00 C ATOM 1752 C ALA A 115 26.718 -6.315 93.005 1.00 0.00 C ATOM 1753 O ALA A 115 27.583 -7.046 92.571 1.00 0.00 O ATOM 1754 CB ALA A 115 25.909 -6.506 95.376 1.00 0.00 C ATOM 0 H ALA A 115 25.521 -4.108 94.826 1.00 0.00 H new ATOM 0 HA ALA A 115 27.823 -5.803 94.802 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.257 -7.536 95.455 1.00 0.00 H new ATOM 0 HB2 ALA A 115 25.944 -6.035 96.358 1.00 0.00 H new ATOM 0 HB3 ALA A 115 24.884 -6.497 95.005 1.00 0.00 H new ATOM 1760 N LEU A 116 25.701 -5.959 92.253 1.00 0.00 N ATOM 1761 CA LEU A 116 25.651 -6.483 90.856 1.00 0.00 C ATOM 1762 C LEU A 116 26.748 -5.788 90.051 1.00 0.00 C ATOM 1763 O LEU A 116 27.020 -6.136 88.924 1.00 0.00 O ATOM 1764 CB LEU A 116 24.292 -6.203 90.177 1.00 0.00 C ATOM 1765 CG LEU A 116 23.389 -7.447 90.171 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.154 -7.137 89.313 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.129 -8.653 89.558 1.00 0.00 C ATOM 0 H LEU A 116 24.932 -5.351 92.535 1.00 0.00 H new ATOM 0 HA LEU A 116 25.791 -7.563 90.890 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.787 -5.390 90.698 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.459 -5.871 89.153 1.00 0.00 H new ATOM 0 HG LEU A 116 23.106 -7.693 91.195 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.497 -8.006 89.294 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.619 -6.288 89.738 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.468 -6.897 88.297 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.473 -9.523 89.563 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.416 -8.421 88.532 1.00 0.00 H new ATOM 0 HD23 LEU A 116 25.022 -8.869 90.145 1.00 0.00 H new ATOM 1779 N LEU A 117 27.409 -4.815 90.609 1.00 0.00 N ATOM 1780 CA LEU A 117 28.486 -4.157 89.823 1.00 0.00 C ATOM 1781 C LEU A 117 29.667 -5.104 89.845 1.00 0.00 C ATOM 1782 O LEU A 117 30.720 -4.856 89.297 1.00 0.00 O ATOM 1783 CB LEU A 117 28.848 -2.807 90.460 1.00 0.00 C ATOM 1784 CG LEU A 117 29.052 -1.750 89.375 1.00 0.00 C ATOM 1785 CD1 LEU A 117 30.202 -2.188 88.462 1.00 0.00 C ATOM 1786 CD2 LEU A 117 27.754 -1.565 88.553 1.00 0.00 C ATOM 0 H LEU A 117 27.257 -4.454 91.551 1.00 0.00 H new ATOM 0 HA LEU A 117 28.174 -3.955 88.798 1.00 0.00 H new ATOM 0 HB2 LEU A 117 28.056 -2.493 91.140 1.00 0.00 H new ATOM 0 HB3 LEU A 117 29.756 -2.909 91.054 1.00 0.00 H new ATOM 0 HG LEU A 117 29.299 -0.795 89.839 1.00 0.00 H new ATOM 0 HD11 LEU A 117 30.355 -1.439 87.685 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.114 -2.292 89.050 1.00 0.00 H new ATOM 0 HD13 LEU A 117 29.957 -3.145 88.001 1.00 0.00 H new ATOM 0 HD21 LEU A 117 27.915 -0.809 87.784 1.00 0.00 H new ATOM 0 HD22 LEU A 117 27.484 -2.510 88.082 1.00 0.00 H new ATOM 0 HD23 LEU A 117 26.948 -1.245 89.213 1.00 0.00 H new ATOM 1798 N GLN A 118 29.466 -6.220 90.465 1.00 0.00 N ATOM 1799 CA GLN A 118 30.540 -7.232 90.534 1.00 0.00 C ATOM 1800 C GLN A 118 30.811 -7.764 89.123 1.00 0.00 C ATOM 1801 O GLN A 118 29.865 -8.186 88.481 1.00 0.00 O ATOM 1802 CB GLN A 118 30.078 -8.376 91.439 1.00 0.00 C ATOM 1803 CG GLN A 118 30.447 -8.083 92.901 1.00 0.00 C ATOM 1804 CD GLN A 118 29.839 -9.156 93.813 1.00 0.00 C ATOM 1805 OE1 GLN A 118 30.552 -9.938 94.412 1.00 0.00 O ATOM 1806 NE2 GLN A 118 28.545 -9.215 93.945 1.00 0.00 N ATOM 1807 OXT GLN A 118 31.957 -7.727 88.707 1.00 0.00 O ATOM 0 H GLN A 118 28.596 -6.478 90.931 1.00 0.00 H new ATOM 0 HA GLN A 118 31.453 -6.793 90.937 1.00 0.00 H new ATOM 0 HB2 GLN A 118 29.000 -8.507 91.348 1.00 0.00 H new ATOM 0 HB3 GLN A 118 30.541 -9.310 91.120 1.00 0.00 H new ATOM 0 HG2 GLN A 118 31.531 -8.066 93.016 1.00 0.00 H new ATOM 0 HG3 GLN A 118 30.080 -7.098 93.188 1.00 0.00 H new ATOM 0 HE21 GLN A 118 27.950 -8.557 93.441 1.00 0.00 H new ATOM 0 HE22 GLN A 118 28.126 -9.919 94.553 1.00 0.00 H new