USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 679 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.27) USER MOD Single : A 14 ASN : amide:sc= -0.222 K(o=-0.22,f=-2.2!) USER MOD Single : A 17 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.21) USER MOD Single : A 20 MET CE :methyl 157:sc= -0.0146 (180deg=-0.956) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0.043) USER MOD Single : A 41 GLN : amide:sc= -0.393 K(o=-0.39,f=-1.2) USER MOD Single : A 47 LYS NZ :NH3+ 161:sc= -0.0265 (180deg=-0.292) USER MOD Single : A 48 MET CE :methyl 177:sc= -5.59! (180deg=-5.87!) USER MOD Single : A 50 MET CE :methyl -147:sc= -0.878 (180deg=-2.05!) USER MOD Single : A 52 GLN : amide:sc= -0.0101 K(o=-0.01,f=-1) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.273) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0299 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.0249 K(o=-0.025,f=-0.73) USER MOD Single : A 75 GLN : amide:sc= -0.0609 K(o=-0.061,f=-1.1) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 175:sc= -0.0661 (180deg=-0.183) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 35.005 -6.276 25.558 1.00 0.00 N ATOM 2 CA GLY A 1 33.967 -6.991 24.839 1.00 0.00 C ATOM 3 C GLY A 1 32.604 -6.837 25.483 1.00 0.00 C ATOM 4 O GLY A 1 32.156 -7.712 26.224 1.00 0.00 O ATOM 0 H1 GLY A 1 35.917 -6.413 25.078 1.00 0.00 H new ATOM 0 H2 GLY A 1 34.775 -5.262 25.582 1.00 0.00 H new ATOM 0 H3 GLY A 1 35.068 -6.640 26.530 1.00 0.00 H new ATOM 0 HA2 GLY A 1 33.924 -6.627 23.813 1.00 0.00 H new ATOM 0 HA3 GLY A 1 34.225 -8.049 24.791 1.00 0.00 H new ATOM 8 N SER A 2 31.942 -5.719 25.203 1.00 0.00 N ATOM 9 CA SER A 2 30.623 -5.449 25.765 1.00 0.00 C ATOM 10 C SER A 2 29.550 -5.499 24.681 1.00 0.00 C ATOM 11 O SER A 2 29.822 -5.233 23.510 1.00 0.00 O ATOM 12 CB SER A 2 30.608 -4.082 26.451 1.00 0.00 C ATOM 13 OG SER A 2 29.604 -4.025 27.450 1.00 0.00 O ATOM 0 H SER A 2 32.297 -4.985 24.590 1.00 0.00 H new ATOM 0 HA SER A 2 30.405 -6.220 26.503 1.00 0.00 H new ATOM 0 HB2 SER A 2 31.582 -3.885 26.898 1.00 0.00 H new ATOM 0 HB3 SER A 2 30.434 -3.302 25.710 1.00 0.00 H new ATOM 0 HG SER A 2 29.615 -3.142 27.875 1.00 0.00 H new ATOM 19 N SER A 3 28.330 -5.842 25.081 1.00 0.00 N ATOM 20 CA SER A 3 27.216 -5.931 24.145 1.00 0.00 C ATOM 21 C SER A 3 26.380 -4.655 24.172 1.00 0.00 C ATOM 22 O SER A 3 25.766 -4.323 25.186 1.00 0.00 O ATOM 23 CB SER A 3 26.336 -7.137 24.479 1.00 0.00 C ATOM 24 OG SER A 3 25.253 -7.245 23.572 1.00 0.00 O ATOM 0 H SER A 3 28.088 -6.063 26.047 1.00 0.00 H new ATOM 0 HA SER A 3 27.626 -6.055 23.143 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.934 -8.048 24.446 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.955 -7.042 25.496 1.00 0.00 H new ATOM 0 HG SER A 3 24.707 -8.024 23.806 1.00 0.00 H new ATOM 30 N GLY A 4 26.361 -3.942 23.050 1.00 0.00 N ATOM 31 CA GLY A 4 25.598 -2.711 22.966 1.00 0.00 C ATOM 32 C GLY A 4 24.488 -2.786 21.936 1.00 0.00 C ATOM 33 O GLY A 4 24.695 -2.464 20.766 1.00 0.00 O ATOM 0 H GLY A 4 26.861 -4.195 22.198 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.169 -2.486 23.942 1.00 0.00 H new ATOM 0 HA3 GLY A 4 26.268 -1.888 22.715 1.00 0.00 H new ATOM 37 N SER A 5 23.307 -3.213 22.372 1.00 0.00 N ATOM 38 CA SER A 5 22.161 -3.335 21.478 1.00 0.00 C ATOM 39 C SER A 5 21.306 -2.072 21.517 1.00 0.00 C ATOM 40 O SER A 5 20.974 -1.566 22.588 1.00 0.00 O ATOM 41 CB SER A 5 21.315 -4.550 21.862 1.00 0.00 C ATOM 42 OG SER A 5 20.642 -4.334 23.091 1.00 0.00 O ATOM 0 H SER A 5 23.119 -3.480 23.338 1.00 0.00 H new ATOM 0 HA SER A 5 22.535 -3.469 20.463 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.588 -4.754 21.076 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.953 -5.430 21.942 1.00 0.00 H new ATOM 0 HG SER A 5 20.107 -5.124 23.314 1.00 0.00 H new ATOM 48 N SER A 6 20.953 -1.568 20.338 1.00 0.00 N ATOM 49 CA SER A 6 20.140 -0.362 20.236 1.00 0.00 C ATOM 50 C SER A 6 19.583 -0.201 18.824 1.00 0.00 C ATOM 51 O SER A 6 20.193 -0.639 17.850 1.00 0.00 O ATOM 52 CB SER A 6 20.965 0.869 20.614 1.00 0.00 C ATOM 53 OG SER A 6 22.022 1.078 19.693 1.00 0.00 O ATOM 0 H SER A 6 21.217 -1.976 19.441 1.00 0.00 H new ATOM 0 HA SER A 6 19.305 -0.457 20.930 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.321 1.748 20.639 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.372 0.744 21.617 1.00 0.00 H new ATOM 0 HG SER A 6 22.533 1.872 19.956 1.00 0.00 H new ATOM 59 N GLY A 7 18.418 0.432 18.723 1.00 0.00 N ATOM 60 CA GLY A 7 17.797 0.640 17.428 1.00 0.00 C ATOM 61 C GLY A 7 16.675 1.659 17.480 1.00 0.00 C ATOM 62 O GLY A 7 15.510 1.301 17.659 1.00 0.00 O ATOM 0 H GLY A 7 17.893 0.804 19.515 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.552 0.972 16.715 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.406 -0.308 17.060 1.00 0.00 H new ATOM 66 N HIS A 8 17.025 2.931 17.325 1.00 0.00 N ATOM 67 CA HIS A 8 16.038 4.005 17.356 1.00 0.00 C ATOM 68 C HIS A 8 15.567 4.351 15.947 1.00 0.00 C ATOM 69 O HIS A 8 16.248 4.060 14.965 1.00 0.00 O ATOM 70 CB HIS A 8 16.625 5.246 18.029 1.00 0.00 C ATOM 71 CG HIS A 8 17.683 5.926 17.214 1.00 0.00 C ATOM 72 ND1 HIS A 8 17.407 6.931 16.312 1.00 0.00 N ATOM 73 CD2 HIS A 8 19.023 5.740 17.170 1.00 0.00 C ATOM 74 CE1 HIS A 8 18.531 7.334 15.747 1.00 0.00 C ATOM 75 NE2 HIS A 8 19.527 6.627 16.251 1.00 0.00 N ATOM 0 H HIS A 8 17.984 3.244 17.177 1.00 0.00 H new ATOM 0 HA HIS A 8 15.180 3.660 17.932 1.00 0.00 H new ATOM 0 HB2 HIS A 8 15.821 5.955 18.230 1.00 0.00 H new ATOM 0 HB3 HIS A 8 17.047 4.961 18.993 1.00 0.00 H new ATOM 0 HD2 HIS A 8 19.590 5.027 17.750 1.00 0.00 H new ATOM 0 HE1 HIS A 8 18.621 8.109 15.000 1.00 0.00 H new ATOM 0 HE2 HIS A 8 20.510 6.724 15.998 1.00 0.00 H new ATOM 84 N GLY A 9 14.395 4.973 15.856 1.00 0.00 N ATOM 85 CA GLY A 9 13.852 5.346 14.563 1.00 0.00 C ATOM 86 C GLY A 9 14.070 6.812 14.245 1.00 0.00 C ATOM 87 O GLY A 9 13.435 7.685 14.837 1.00 0.00 O ATOM 0 H GLY A 9 13.812 5.225 16.654 1.00 0.00 H new ATOM 0 HA2 GLY A 9 14.316 4.736 13.788 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.784 5.128 14.544 1.00 0.00 H new ATOM 91 N ASP A 10 14.972 7.084 13.308 1.00 0.00 N ATOM 92 CA ASP A 10 15.274 8.455 12.912 1.00 0.00 C ATOM 93 C ASP A 10 14.044 9.131 12.314 1.00 0.00 C ATOM 94 O ASP A 10 13.421 8.606 11.392 1.00 0.00 O ATOM 95 CB ASP A 10 16.423 8.476 11.904 1.00 0.00 C ATOM 96 CG ASP A 10 17.781 8.393 12.572 1.00 0.00 C ATOM 97 OD1 ASP A 10 18.258 9.431 13.079 1.00 0.00 O ATOM 98 OD2 ASP A 10 18.368 7.291 12.589 1.00 0.00 O ATOM 0 H ASP A 10 15.507 6.373 12.809 1.00 0.00 H new ATOM 0 HA ASP A 10 15.573 9.007 13.803 1.00 0.00 H new ATOM 0 HB2 ASP A 10 16.310 7.642 11.212 1.00 0.00 H new ATOM 0 HB3 ASP A 10 16.367 9.390 11.313 1.00 0.00 H new ATOM 103 N GLY A 11 13.698 10.299 12.847 1.00 0.00 N ATOM 104 CA GLY A 11 12.543 11.027 12.355 1.00 0.00 C ATOM 105 C GLY A 11 11.235 10.349 12.712 1.00 0.00 C ATOM 106 O GLY A 11 10.662 9.602 11.918 1.00 0.00 O ATOM 0 H GLY A 11 14.197 10.754 13.611 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.550 12.036 12.768 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.614 11.125 11.272 1.00 0.00 H new ATOM 110 N PRO A 12 10.744 10.607 13.933 1.00 0.00 N ATOM 111 CA PRO A 12 9.491 10.025 14.421 1.00 0.00 C ATOM 112 C PRO A 12 8.270 10.591 13.704 1.00 0.00 C ATOM 113 O PRO A 12 8.350 11.627 13.046 1.00 0.00 O ATOM 114 CB PRO A 12 9.471 10.417 15.901 1.00 0.00 C ATOM 115 CG PRO A 12 10.308 11.646 15.979 1.00 0.00 C ATOM 116 CD PRO A 12 11.375 11.488 14.931 1.00 0.00 C ATOM 0 HA PRO A 12 9.448 8.949 14.250 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.455 10.608 16.246 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.876 9.622 16.527 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.709 12.538 15.795 1.00 0.00 H new ATOM 0 HG3 PRO A 12 10.748 11.756 16.970 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.659 12.447 14.498 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.281 11.044 15.343 1.00 0.00 H new ATOM 124 N GLY A 13 7.140 9.903 13.835 1.00 0.00 N ATOM 125 CA GLY A 13 5.919 10.353 13.194 1.00 0.00 C ATOM 126 C GLY A 13 5.233 9.250 12.413 1.00 0.00 C ATOM 127 O GLY A 13 5.448 8.068 12.677 1.00 0.00 O ATOM 0 H GLY A 13 7.049 9.042 14.374 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.235 10.737 13.951 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.149 11.180 12.523 1.00 0.00 H new ATOM 131 N ASN A 14 4.403 9.636 11.449 1.00 0.00 N ATOM 132 CA ASN A 14 3.681 8.670 10.629 1.00 0.00 C ATOM 133 C ASN A 14 4.270 8.603 9.223 1.00 0.00 C ATOM 134 O ASN A 14 4.322 9.606 8.512 1.00 0.00 O ATOM 135 CB ASN A 14 2.198 9.039 10.556 1.00 0.00 C ATOM 136 CG ASN A 14 1.397 8.440 11.695 1.00 0.00 C ATOM 137 OD1 ASN A 14 1.819 7.469 12.323 1.00 0.00 O ATOM 138 ND2 ASN A 14 0.232 9.018 11.967 1.00 0.00 N ATOM 0 H ASN A 14 4.214 10.611 11.217 1.00 0.00 H new ATOM 0 HA ASN A 14 3.782 7.689 11.093 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.095 10.124 10.574 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.787 8.696 9.607 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.352 8.659 12.722 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.079 9.821 11.420 1.00 0.00 H new ATOM 145 N ALA A 15 4.712 7.413 8.829 1.00 0.00 N ATOM 146 CA ALA A 15 5.294 7.214 7.507 1.00 0.00 C ATOM 147 C ALA A 15 4.213 6.941 6.467 1.00 0.00 C ATOM 148 O ALA A 15 3.193 6.320 6.765 1.00 0.00 O ATOM 149 CB ALA A 15 6.299 6.072 7.540 1.00 0.00 C ATOM 0 H ALA A 15 4.678 6.573 9.406 1.00 0.00 H new ATOM 0 HA ALA A 15 5.811 8.130 7.222 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.726 5.934 6.547 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.094 6.308 8.247 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.798 5.155 7.850 1.00 0.00 H new ATOM 155 N VAL A 16 4.444 7.409 5.244 1.00 0.00 N ATOM 156 CA VAL A 16 3.490 7.215 4.159 1.00 0.00 C ATOM 157 C VAL A 16 4.205 6.946 2.840 1.00 0.00 C ATOM 158 O VAL A 16 5.240 7.547 2.550 1.00 0.00 O ATOM 159 CB VAL A 16 2.572 8.440 3.992 1.00 0.00 C ATOM 160 CG1 VAL A 16 3.339 9.602 3.379 1.00 0.00 C ATOM 161 CG2 VAL A 16 1.359 8.086 3.145 1.00 0.00 C ATOM 0 H VAL A 16 5.283 7.925 4.980 1.00 0.00 H new ATOM 0 HA VAL A 16 2.883 6.349 4.423 1.00 0.00 H new ATOM 0 HB VAL A 16 2.221 8.746 4.978 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.674 10.459 3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.172 9.871 4.028 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.721 9.310 2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.722 8.964 3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.687 7.753 2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.798 7.287 3.629 1.00 0.00 H new ATOM 171 N GLN A 17 3.647 6.040 2.044 1.00 0.00 N ATOM 172 CA GLN A 17 4.232 5.692 0.754 1.00 0.00 C ATOM 173 C GLN A 17 3.152 5.542 -0.312 1.00 0.00 C ATOM 174 O GLN A 17 2.124 4.907 -0.081 1.00 0.00 O ATOM 175 CB GLN A 17 5.035 4.395 0.869 1.00 0.00 C ATOM 176 CG GLN A 17 6.402 4.580 1.508 1.00 0.00 C ATOM 177 CD GLN A 17 7.324 5.447 0.674 1.00 0.00 C ATOM 178 OE1 GLN A 17 7.719 5.070 -0.430 1.00 0.00 O ATOM 179 NE2 GLN A 17 7.672 6.617 1.198 1.00 0.00 N ATOM 0 H GLN A 17 2.791 5.534 2.269 1.00 0.00 H new ATOM 0 HA GLN A 17 4.900 6.500 0.456 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.464 3.675 1.455 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.163 3.967 -0.125 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.280 5.029 2.494 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.864 3.604 1.657 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.321 6.889 2.116 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.290 7.243 0.682 1.00 0.00 H new ATOM 188 N GLU A 18 3.393 6.132 -1.478 1.00 0.00 N ATOM 189 CA GLU A 18 2.440 6.065 -2.579 1.00 0.00 C ATOM 190 C GLU A 18 2.953 5.151 -3.689 1.00 0.00 C ATOM 191 O GLU A 18 4.112 5.241 -4.095 1.00 0.00 O ATOM 192 CB GLU A 18 2.172 7.464 -3.138 1.00 0.00 C ATOM 193 CG GLU A 18 1.471 8.388 -2.156 1.00 0.00 C ATOM 194 CD GLU A 18 1.362 9.810 -2.670 1.00 0.00 C ATOM 195 OE1 GLU A 18 0.850 9.996 -3.794 1.00 0.00 O ATOM 196 OE2 GLU A 18 1.787 10.736 -1.949 1.00 0.00 O ATOM 0 H GLU A 18 4.240 6.662 -1.685 1.00 0.00 H new ATOM 0 HA GLU A 18 1.508 5.651 -2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.119 7.915 -3.435 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.564 7.376 -4.038 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.473 8.003 -1.950 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.014 8.388 -1.211 1.00 0.00 H new ATOM 203 N ILE A 19 2.082 4.273 -4.174 1.00 0.00 N ATOM 204 CA ILE A 19 2.446 3.344 -5.236 1.00 0.00 C ATOM 205 C ILE A 19 1.329 3.221 -6.267 1.00 0.00 C ATOM 206 O ILE A 19 0.149 3.193 -5.917 1.00 0.00 O ATOM 207 CB ILE A 19 2.768 1.946 -4.676 1.00 0.00 C ATOM 208 CG1 ILE A 19 1.986 1.699 -3.384 1.00 0.00 C ATOM 209 CG2 ILE A 19 4.263 1.804 -4.433 1.00 0.00 C ATOM 210 CD1 ILE A 19 2.668 2.250 -2.151 1.00 0.00 C ATOM 0 H ILE A 19 1.119 4.186 -3.848 1.00 0.00 H new ATOM 0 HA ILE A 19 3.337 3.748 -5.716 1.00 0.00 H new ATOM 0 HB ILE A 19 2.467 1.198 -5.410 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.998 2.150 -3.475 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.837 0.627 -3.258 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.475 0.811 -4.037 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.799 1.942 -5.372 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.588 2.557 -3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.058 2.039 -1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.645 1.781 -2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.793 3.328 -2.255 1.00 0.00 H new ATOM 222 N MET A 20 1.709 3.147 -7.538 1.00 0.00 N ATOM 223 CA MET A 20 0.738 3.024 -8.620 1.00 0.00 C ATOM 224 C MET A 20 0.194 1.602 -8.703 1.00 0.00 C ATOM 225 O MET A 20 0.957 0.635 -8.705 1.00 0.00 O ATOM 226 CB MET A 20 1.377 3.417 -9.953 1.00 0.00 C ATOM 227 CG MET A 20 2.708 2.732 -10.215 1.00 0.00 C ATOM 228 SD MET A 20 3.026 2.482 -11.972 1.00 0.00 S ATOM 229 CE MET A 20 2.437 4.032 -12.648 1.00 0.00 C ATOM 0 H MET A 20 2.682 3.170 -7.844 1.00 0.00 H new ATOM 0 HA MET A 20 -0.091 3.699 -8.410 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.688 3.175 -10.762 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.524 4.497 -9.972 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.511 3.331 -9.786 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.723 1.768 -9.706 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.914 4.213 -13.611 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.356 3.983 -12.781 1.00 0.00 H new ATOM 0 HE3 MET A 20 2.682 4.844 -11.963 1.00 0.00 H new ATOM 239 N ILE A 21 -1.127 1.481 -8.771 1.00 0.00 N ATOM 240 CA ILE A 21 -1.772 0.177 -8.855 1.00 0.00 C ATOM 241 C ILE A 21 -2.694 0.096 -10.067 1.00 0.00 C ATOM 242 O ILE A 21 -3.547 0.956 -10.287 1.00 0.00 O ATOM 243 CB ILE A 21 -2.585 -0.133 -7.584 1.00 0.00 C ATOM 244 CG1 ILE A 21 -1.916 0.495 -6.360 1.00 0.00 C ATOM 245 CG2 ILE A 21 -2.731 -1.636 -7.402 1.00 0.00 C ATOM 246 CD1 ILE A 21 -0.630 -0.191 -5.955 1.00 0.00 C ATOM 0 H ILE A 21 -1.772 2.271 -8.770 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.977 -0.561 -8.957 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.580 0.298 -7.692 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.708 1.545 -6.568 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.612 0.468 -5.522 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.308 -1.839 -6.500 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.246 -2.059 -8.265 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.744 -2.089 -7.311 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.211 0.307 -5.081 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.834 -1.234 -5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.084 -0.141 -6.777 1.00 0.00 H new ATOM 258 N PRO A 22 -2.521 -0.962 -10.873 1.00 0.00 N ATOM 259 CA PRO A 22 -3.330 -1.182 -12.075 1.00 0.00 C ATOM 260 C PRO A 22 -4.774 -1.546 -11.744 1.00 0.00 C ATOM 261 O PRO A 22 -5.042 -2.598 -11.165 1.00 0.00 O ATOM 262 CB PRO A 22 -2.629 -2.355 -12.765 1.00 0.00 C ATOM 263 CG PRO A 22 -1.930 -3.078 -11.666 1.00 0.00 C ATOM 264 CD PRO A 22 -1.523 -2.026 -10.671 1.00 0.00 C ATOM 0 HA PRO A 22 -3.397 -0.285 -12.691 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.345 -3.002 -13.271 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.925 -2.006 -13.520 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.586 -3.817 -11.206 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.060 -3.615 -12.044 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.544 -2.408 -9.650 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.510 -1.668 -10.856 1.00 0.00 H new ATOM 272 N ALA A 23 -5.700 -0.668 -12.115 1.00 0.00 N ATOM 273 CA ALA A 23 -7.117 -0.898 -11.859 1.00 0.00 C ATOM 274 C ALA A 23 -7.478 -2.367 -12.053 1.00 0.00 C ATOM 275 O ALA A 23 -8.310 -2.912 -11.329 1.00 0.00 O ATOM 276 CB ALA A 23 -7.966 -0.020 -12.766 1.00 0.00 C ATOM 0 H ALA A 23 -5.495 0.209 -12.594 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.321 -0.634 -10.821 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.022 -0.202 -12.564 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.736 1.028 -12.577 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.750 -0.257 -13.808 1.00 0.00 H new ATOM 282 N SER A 24 -6.847 -3.002 -13.036 1.00 0.00 N ATOM 283 CA SER A 24 -7.106 -4.407 -13.328 1.00 0.00 C ATOM 284 C SER A 24 -6.863 -5.272 -12.095 1.00 0.00 C ATOM 285 O SER A 24 -7.707 -6.084 -11.714 1.00 0.00 O ATOM 286 CB SER A 24 -6.219 -4.882 -14.480 1.00 0.00 C ATOM 287 OG SER A 24 -6.803 -4.574 -15.734 1.00 0.00 O ATOM 0 H SER A 24 -6.153 -2.566 -13.643 1.00 0.00 H new ATOM 0 HA SER A 24 -8.152 -4.505 -13.619 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.239 -4.411 -14.406 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.062 -5.958 -14.403 1.00 0.00 H new ATOM 0 HG SER A 24 -6.216 -4.886 -16.454 1.00 0.00 H new ATOM 293 N LYS A 25 -5.702 -5.092 -11.473 1.00 0.00 N ATOM 294 CA LYS A 25 -5.346 -5.853 -10.282 1.00 0.00 C ATOM 295 C LYS A 25 -5.865 -5.167 -9.022 1.00 0.00 C ATOM 296 O LYS A 25 -5.815 -5.733 -7.931 1.00 0.00 O ATOM 297 CB LYS A 25 -3.827 -6.022 -10.195 1.00 0.00 C ATOM 298 CG LYS A 25 -3.188 -6.459 -11.501 1.00 0.00 C ATOM 299 CD LYS A 25 -3.332 -7.956 -11.720 1.00 0.00 C ATOM 300 CE LYS A 25 -3.388 -8.300 -13.200 1.00 0.00 C ATOM 301 NZ LYS A 25 -2.028 -8.478 -13.780 1.00 0.00 N ATOM 0 H LYS A 25 -4.992 -4.425 -11.775 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.811 -6.836 -10.357 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.382 -5.078 -9.881 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.595 -6.756 -9.423 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.650 -5.923 -12.330 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.131 -6.191 -11.498 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.493 -8.475 -11.256 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.238 -8.311 -11.228 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.964 -9.215 -13.339 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.911 -7.509 -13.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.109 -8.711 -14.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.486 -7.597 -13.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.538 -9.250 -13.285 1.00 0.00 H new ATOM 315 N ALA A 26 -6.363 -3.946 -9.182 1.00 0.00 N ATOM 316 CA ALA A 26 -6.895 -3.185 -8.058 1.00 0.00 C ATOM 317 C ALA A 26 -8.068 -3.911 -7.409 1.00 0.00 C ATOM 318 O ALA A 26 -8.139 -4.028 -6.187 1.00 0.00 O ATOM 319 CB ALA A 26 -7.317 -1.796 -8.514 1.00 0.00 C ATOM 0 H ALA A 26 -6.409 -3.462 -10.079 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.106 -3.086 -7.312 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.712 -1.239 -7.665 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.455 -1.270 -8.924 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.087 -1.883 -9.281 1.00 0.00 H new ATOM 325 N GLY A 27 -8.989 -4.396 -8.237 1.00 0.00 N ATOM 326 CA GLY A 27 -10.148 -5.103 -7.725 1.00 0.00 C ATOM 327 C GLY A 27 -9.787 -6.447 -7.123 1.00 0.00 C ATOM 328 O GLY A 27 -10.643 -7.136 -6.566 1.00 0.00 O ATOM 0 H GLY A 27 -8.953 -4.312 -9.253 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.639 -4.490 -6.969 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.866 -5.251 -8.532 1.00 0.00 H new ATOM 332 N LEU A 28 -8.518 -6.823 -7.236 1.00 0.00 N ATOM 333 CA LEU A 28 -8.046 -8.094 -6.699 1.00 0.00 C ATOM 334 C LEU A 28 -7.485 -7.917 -5.292 1.00 0.00 C ATOM 335 O LEU A 28 -7.662 -8.777 -4.429 1.00 0.00 O ATOM 336 CB LEU A 28 -6.976 -8.691 -7.615 1.00 0.00 C ATOM 337 CG LEU A 28 -7.488 -9.524 -8.791 1.00 0.00 C ATOM 338 CD1 LEU A 28 -7.740 -8.639 -10.002 1.00 0.00 C ATOM 339 CD2 LEU A 28 -6.499 -10.629 -9.132 1.00 0.00 C ATOM 0 H LEU A 28 -7.797 -6.266 -7.695 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.895 -8.776 -6.648 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.369 -7.877 -8.010 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.318 -9.316 -7.012 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.432 -9.985 -8.501 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.104 -9.249 -10.829 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.486 -7.884 -9.752 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.811 -8.149 -10.294 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.879 -11.212 -9.971 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.540 -10.188 -9.402 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.369 -11.280 -8.268 1.00 0.00 H new ATOM 351 N VAL A 29 -6.809 -6.795 -5.067 1.00 0.00 N ATOM 352 CA VAL A 29 -6.225 -6.503 -3.763 1.00 0.00 C ATOM 353 C VAL A 29 -7.212 -5.756 -2.873 1.00 0.00 C ATOM 354 O VAL A 29 -7.071 -5.738 -1.650 1.00 0.00 O ATOM 355 CB VAL A 29 -4.938 -5.667 -3.899 1.00 0.00 C ATOM 356 CG1 VAL A 29 -5.149 -4.518 -4.872 1.00 0.00 C ATOM 357 CG2 VAL A 29 -4.493 -5.151 -2.539 1.00 0.00 C ATOM 0 H VAL A 29 -6.652 -6.073 -5.771 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.980 -7.461 -3.304 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.149 -6.306 -4.295 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.230 -3.938 -4.955 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.418 -4.915 -5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.951 -3.876 -4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.583 -4.563 -2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.278 -4.526 -2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.299 -5.994 -1.876 1.00 0.00 H new ATOM 367 N ILE A 30 -8.211 -5.139 -3.496 1.00 0.00 N ATOM 368 CA ILE A 30 -9.223 -4.391 -2.760 1.00 0.00 C ATOM 369 C ILE A 30 -10.378 -5.294 -2.342 1.00 0.00 C ATOM 370 O ILE A 30 -10.897 -5.182 -1.232 1.00 0.00 O ATOM 371 CB ILE A 30 -9.777 -3.222 -3.596 1.00 0.00 C ATOM 372 CG1 ILE A 30 -8.658 -2.235 -3.936 1.00 0.00 C ATOM 373 CG2 ILE A 30 -10.900 -2.520 -2.846 1.00 0.00 C ATOM 374 CD1 ILE A 30 -9.083 -1.148 -4.898 1.00 0.00 C ATOM 0 H ILE A 30 -8.341 -5.142 -4.508 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.736 -3.992 -1.870 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.181 -3.619 -4.527 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.299 -1.774 -3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.820 -2.783 -4.367 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -11.281 -1.696 -3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.705 -3.228 -2.649 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.519 -2.132 -1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.240 -0.485 -5.094 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.415 -1.599 -5.833 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.901 -0.575 -4.461 1.00 0.00 H new ATOM 386 N GLY A 31 -10.776 -6.191 -3.239 1.00 0.00 N ATOM 387 CA GLY A 31 -11.867 -7.102 -2.944 1.00 0.00 C ATOM 388 C GLY A 31 -13.226 -6.460 -3.136 1.00 0.00 C ATOM 389 O GLY A 31 -13.343 -5.414 -3.774 1.00 0.00 O ATOM 0 H GLY A 31 -10.363 -6.303 -4.165 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.788 -7.978 -3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.776 -7.452 -1.916 1.00 0.00 H new ATOM 393 N LYS A 32 -14.259 -7.089 -2.585 1.00 0.00 N ATOM 394 CA LYS A 32 -15.618 -6.574 -2.699 1.00 0.00 C ATOM 395 C LYS A 32 -15.852 -5.433 -1.715 1.00 0.00 C ATOM 396 O LYS A 32 -16.527 -5.603 -0.701 1.00 0.00 O ATOM 397 CB LYS A 32 -16.632 -7.693 -2.448 1.00 0.00 C ATOM 398 CG LYS A 32 -16.909 -8.549 -3.672 1.00 0.00 C ATOM 399 CD LYS A 32 -18.044 -9.528 -3.423 1.00 0.00 C ATOM 400 CE LYS A 32 -19.397 -8.903 -3.727 1.00 0.00 C ATOM 401 NZ LYS A 32 -19.772 -9.062 -5.159 1.00 0.00 N ATOM 0 H LYS A 32 -14.180 -7.957 -2.055 1.00 0.00 H new ATOM 0 HA LYS A 32 -15.751 -6.191 -3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -16.265 -8.331 -1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -17.568 -7.253 -2.103 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -17.160 -7.907 -4.517 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -16.008 -9.098 -3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -17.904 -10.414 -4.042 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -18.020 -9.858 -2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -20.159 -9.364 -3.099 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -19.373 -7.843 -3.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -20.700 -8.623 -5.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -19.058 -8.601 -5.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -19.820 -10.074 -5.395 1.00 0.00 H new ATOM 415 N GLY A 33 -15.290 -4.267 -2.023 1.00 0.00 N ATOM 416 CA GLY A 33 -15.450 -3.115 -1.156 1.00 0.00 C ATOM 417 C GLY A 33 -14.473 -3.120 0.002 1.00 0.00 C ATOM 418 O GLY A 33 -14.847 -2.840 1.141 1.00 0.00 O ATOM 0 H GLY A 33 -14.727 -4.101 -2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.313 -2.204 -1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.468 -3.095 -0.768 1.00 0.00 H new ATOM 422 N GLY A 34 -13.215 -3.442 -0.287 1.00 0.00 N ATOM 423 CA GLY A 34 -12.201 -3.478 0.751 1.00 0.00 C ATOM 424 C GLY A 34 -12.248 -4.758 1.561 1.00 0.00 C ATOM 425 O GLY A 34 -12.292 -4.720 2.790 1.00 0.00 O ATOM 0 H GLY A 34 -12.881 -3.678 -1.221 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.216 -3.375 0.296 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.336 -2.625 1.416 1.00 0.00 H new ATOM 429 N GLU A 35 -12.239 -5.895 0.871 1.00 0.00 N ATOM 430 CA GLU A 35 -12.283 -7.192 1.536 1.00 0.00 C ATOM 431 C GLU A 35 -10.875 -7.733 1.767 1.00 0.00 C ATOM 432 O GLU A 35 -10.584 -8.315 2.813 1.00 0.00 O ATOM 433 CB GLU A 35 -13.095 -8.188 0.706 1.00 0.00 C ATOM 434 CG GLU A 35 -14.584 -8.158 1.004 1.00 0.00 C ATOM 435 CD GLU A 35 -14.939 -8.901 2.277 1.00 0.00 C ATOM 436 OE1 GLU A 35 -14.947 -10.150 2.253 1.00 0.00 O ATOM 437 OE2 GLU A 35 -15.209 -8.234 3.298 1.00 0.00 O ATOM 0 H GLU A 35 -12.202 -5.944 -0.147 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.765 -7.059 2.504 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.941 -7.977 -0.352 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.717 -9.194 0.889 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.913 -7.122 1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.127 -8.598 0.168 1.00 0.00 H new ATOM 444 N THR A 36 -10.003 -7.537 0.782 1.00 0.00 N ATOM 445 CA THR A 36 -8.627 -8.006 0.876 1.00 0.00 C ATOM 446 C THR A 36 -7.719 -6.933 1.466 1.00 0.00 C ATOM 447 O THR A 36 -7.157 -7.109 2.547 1.00 0.00 O ATOM 448 CB THR A 36 -8.080 -8.423 -0.503 1.00 0.00 C ATOM 449 OG1 THR A 36 -8.769 -9.589 -0.970 1.00 0.00 O ATOM 450 CG2 THR A 36 -6.587 -8.705 -0.430 1.00 0.00 C ATOM 0 H THR A 36 -10.226 -7.057 -0.090 1.00 0.00 H new ATOM 0 HA THR A 36 -8.634 -8.875 1.534 1.00 0.00 H new ATOM 0 HB THR A 36 -8.244 -7.601 -1.199 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.417 -9.847 -1.848 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.223 -8.997 -1.415 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.063 -7.808 -0.101 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.403 -9.512 0.279 1.00 0.00 H new ATOM 458 N ILE A 37 -7.582 -5.822 0.751 1.00 0.00 N ATOM 459 CA ILE A 37 -6.743 -4.720 1.206 1.00 0.00 C ATOM 460 C ILE A 37 -6.926 -4.470 2.699 1.00 0.00 C ATOM 461 O ILE A 37 -5.961 -4.225 3.422 1.00 0.00 O ATOM 462 CB ILE A 37 -7.054 -3.422 0.438 1.00 0.00 C ATOM 463 CG1 ILE A 37 -6.298 -2.244 1.055 1.00 0.00 C ATOM 464 CG2 ILE A 37 -8.552 -3.154 0.435 1.00 0.00 C ATOM 465 CD1 ILE A 37 -6.566 -0.925 0.366 1.00 0.00 C ATOM 0 H ILE A 37 -8.041 -5.661 -0.146 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.710 -5.009 1.012 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.724 -3.540 -0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.573 -2.158 2.106 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.228 -2.452 1.021 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.756 -2.233 -0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.069 -3.984 -0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.906 -3.053 1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.997 -0.136 0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.265 -0.993 -0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.630 -0.694 0.423 1.00 0.00 H new ATOM 477 N LYS A 38 -8.173 -4.536 3.156 1.00 0.00 N ATOM 478 CA LYS A 38 -8.484 -4.320 4.564 1.00 0.00 C ATOM 479 C LYS A 38 -7.675 -5.261 5.450 1.00 0.00 C ATOM 480 O LYS A 38 -7.177 -4.862 6.502 1.00 0.00 O ATOM 481 CB LYS A 38 -9.980 -4.527 4.814 1.00 0.00 C ATOM 482 CG LYS A 38 -10.468 -3.920 6.118 1.00 0.00 C ATOM 483 CD LYS A 38 -11.966 -4.107 6.294 1.00 0.00 C ATOM 484 CE LYS A 38 -12.285 -5.411 7.009 1.00 0.00 C ATOM 485 NZ LYS A 38 -13.752 -5.626 7.141 1.00 0.00 N ATOM 0 H LYS A 38 -8.984 -4.737 2.571 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.218 -3.294 4.816 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.542 -4.092 3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.195 -5.596 4.817 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.942 -4.381 6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.228 -2.857 6.138 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.374 -3.271 6.861 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.452 -4.097 5.318 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.844 -6.243 6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.828 -5.404 7.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.928 -6.525 7.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.170 -4.845 7.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.185 -5.659 6.196 1.00 0.00 H new ATOM 499 N GLN A 39 -7.548 -6.512 5.017 1.00 0.00 N ATOM 500 CA GLN A 39 -6.798 -7.508 5.772 1.00 0.00 C ATOM 501 C GLN A 39 -5.298 -7.244 5.683 1.00 0.00 C ATOM 502 O GLN A 39 -4.557 -7.483 6.638 1.00 0.00 O ATOM 503 CB GLN A 39 -7.112 -8.913 5.255 1.00 0.00 C ATOM 504 CG GLN A 39 -8.471 -9.433 5.694 1.00 0.00 C ATOM 505 CD GLN A 39 -8.813 -10.772 5.071 1.00 0.00 C ATOM 506 OE1 GLN A 39 -9.115 -10.857 3.880 1.00 0.00 O ATOM 507 NE2 GLN A 39 -8.767 -11.829 5.874 1.00 0.00 N ATOM 0 H GLN A 39 -7.955 -6.859 4.148 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.099 -7.437 6.817 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.068 -8.909 4.166 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.340 -9.600 5.602 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.486 -9.527 6.780 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.238 -8.706 5.427 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.512 -11.714 6.855 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.987 -12.756 5.510 1.00 0.00 H new ATOM 516 N LEU A 40 -4.857 -6.751 4.532 1.00 0.00 N ATOM 517 CA LEU A 40 -3.445 -6.455 4.317 1.00 0.00 C ATOM 518 C LEU A 40 -2.921 -5.498 5.383 1.00 0.00 C ATOM 519 O LEU A 40 -1.740 -5.523 5.726 1.00 0.00 O ATOM 520 CB LEU A 40 -3.236 -5.851 2.927 1.00 0.00 C ATOM 521 CG LEU A 40 -3.101 -6.849 1.776 1.00 0.00 C ATOM 522 CD1 LEU A 40 -3.144 -6.128 0.437 1.00 0.00 C ATOM 523 CD2 LEU A 40 -1.813 -7.649 1.912 1.00 0.00 C ATOM 0 H LEU A 40 -5.457 -6.548 3.732 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.888 -7.390 4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.074 -5.188 2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.339 -5.232 2.952 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.942 -7.541 1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.047 -6.854 -0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.093 -5.600 0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.324 -5.412 0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.734 -8.354 1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.960 -6.971 1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.822 -8.196 2.855 1.00 0.00 H new ATOM 535 N GLN A 41 -3.810 -4.658 5.905 1.00 0.00 N ATOM 536 CA GLN A 41 -3.437 -3.694 6.934 1.00 0.00 C ATOM 537 C GLN A 41 -2.999 -4.403 8.211 1.00 0.00 C ATOM 538 O GLN A 41 -2.281 -3.834 9.032 1.00 0.00 O ATOM 539 CB GLN A 41 -4.608 -2.756 7.232 1.00 0.00 C ATOM 540 CG GLN A 41 -5.020 -1.900 6.046 1.00 0.00 C ATOM 541 CD GLN A 41 -6.161 -0.958 6.374 1.00 0.00 C ATOM 542 OE1 GLN A 41 -6.342 -0.561 7.525 1.00 0.00 O ATOM 543 NE2 GLN A 41 -6.940 -0.595 5.361 1.00 0.00 N ATOM 0 H GLN A 41 -4.792 -4.626 5.632 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.598 -3.108 6.560 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.464 -3.348 7.556 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.338 -2.104 8.063 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.162 -1.320 5.706 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.315 -2.548 5.220 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.754 -0.948 4.422 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.724 0.037 5.522 1.00 0.00 H new ATOM 552 N GLU A 42 -3.437 -5.648 8.371 1.00 0.00 N ATOM 553 CA GLU A 42 -3.091 -6.434 9.549 1.00 0.00 C ATOM 554 C GLU A 42 -1.692 -7.028 9.415 1.00 0.00 C ATOM 555 O GLU A 42 -0.820 -6.785 10.249 1.00 0.00 O ATOM 556 CB GLU A 42 -4.114 -7.551 9.763 1.00 0.00 C ATOM 557 CG GLU A 42 -5.524 -7.046 10.013 1.00 0.00 C ATOM 558 CD GLU A 42 -6.344 -7.999 10.862 1.00 0.00 C ATOM 559 OE1 GLU A 42 -6.144 -8.019 12.094 1.00 0.00 O ATOM 560 OE2 GLU A 42 -7.186 -8.724 10.292 1.00 0.00 O ATOM 0 H GLU A 42 -4.032 -6.134 7.700 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.103 -5.770 10.414 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.120 -8.200 8.887 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.801 -8.162 10.610 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.476 -6.075 10.507 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.026 -6.893 9.058 1.00 0.00 H new ATOM 567 N ARG A 43 -1.486 -7.809 8.359 1.00 0.00 N ATOM 568 CA ARG A 43 -0.195 -8.440 8.116 1.00 0.00 C ATOM 569 C ARG A 43 0.947 -7.472 8.408 1.00 0.00 C ATOM 570 O ARG A 43 1.885 -7.803 9.133 1.00 0.00 O ATOM 571 CB ARG A 43 -0.106 -8.929 6.669 1.00 0.00 C ATOM 572 CG ARG A 43 -0.737 -10.294 6.447 1.00 0.00 C ATOM 573 CD ARG A 43 -2.214 -10.290 6.805 1.00 0.00 C ATOM 574 NE ARG A 43 -2.798 -11.627 6.734 1.00 0.00 N ATOM 575 CZ ARG A 43 -4.103 -11.864 6.807 1.00 0.00 C ATOM 576 NH1 ARG A 43 -4.956 -10.858 6.952 1.00 0.00 N ATOM 577 NH2 ARG A 43 -4.558 -13.108 6.734 1.00 0.00 N ATOM 0 H ARG A 43 -2.197 -8.020 7.659 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.105 -9.294 8.787 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.593 -8.203 6.018 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.942 -8.970 6.372 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.615 -10.587 5.404 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.217 -11.039 7.050 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.342 -9.892 7.811 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.749 -9.624 6.128 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.169 -12.422 6.622 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.610 -9.900 7.008 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.958 -11.043 7.008 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.906 -13.884 6.622 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.560 -13.289 6.790 1.00 0.00 H new ATOM 591 N ALA A 44 0.861 -6.274 7.838 1.00 0.00 N ATOM 592 CA ALA A 44 1.886 -5.257 8.039 1.00 0.00 C ATOM 593 C ALA A 44 1.547 -4.363 9.226 1.00 0.00 C ATOM 594 O ALA A 44 2.436 -3.871 9.920 1.00 0.00 O ATOM 595 CB ALA A 44 2.055 -4.423 6.778 1.00 0.00 C ATOM 0 H ALA A 44 0.092 -5.984 7.234 1.00 0.00 H new ATOM 0 HA ALA A 44 2.827 -5.762 8.256 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.823 -3.667 6.942 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.352 -5.069 5.952 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.111 -3.934 6.536 1.00 0.00 H new ATOM 601 N GLY A 45 0.254 -4.154 9.454 1.00 0.00 N ATOM 602 CA GLY A 45 -0.180 -3.317 10.558 1.00 0.00 C ATOM 603 C GLY A 45 -0.355 -1.868 10.152 1.00 0.00 C ATOM 604 O GLY A 45 -0.720 -1.026 10.973 1.00 0.00 O ATOM 0 H GLY A 45 -0.501 -4.549 8.894 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.123 -3.698 10.950 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.549 -3.379 11.366 1.00 0.00 H new ATOM 608 N VAL A 46 -0.093 -1.574 8.883 1.00 0.00 N ATOM 609 CA VAL A 46 -0.223 -0.215 8.369 1.00 0.00 C ATOM 610 C VAL A 46 -1.594 0.005 7.739 1.00 0.00 C ATOM 611 O VAL A 46 -2.350 -0.942 7.523 1.00 0.00 O ATOM 612 CB VAL A 46 0.866 0.098 7.326 1.00 0.00 C ATOM 613 CG1 VAL A 46 2.240 0.116 7.977 1.00 0.00 C ATOM 614 CG2 VAL A 46 0.819 -0.912 6.189 1.00 0.00 C ATOM 0 H VAL A 46 0.211 -2.259 8.191 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.105 0.457 9.219 1.00 0.00 H new ATOM 0 HB VAL A 46 0.674 1.088 6.912 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.996 0.339 7.224 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.265 0.880 8.754 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.445 -0.858 8.420 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.595 -0.676 5.461 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.985 -1.914 6.585 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.157 -0.870 5.706 1.00 0.00 H new ATOM 624 N LYS A 47 -1.909 1.262 7.446 1.00 0.00 N ATOM 625 CA LYS A 47 -3.188 1.609 6.839 1.00 0.00 C ATOM 626 C LYS A 47 -3.054 1.740 5.325 1.00 0.00 C ATOM 627 O LYS A 47 -2.177 2.447 4.830 1.00 0.00 O ATOM 628 CB LYS A 47 -3.719 2.917 7.430 1.00 0.00 C ATOM 629 CG LYS A 47 -5.235 3.004 7.451 1.00 0.00 C ATOM 630 CD LYS A 47 -5.713 4.214 8.237 1.00 0.00 C ATOM 631 CE LYS A 47 -7.210 4.152 8.500 1.00 0.00 C ATOM 632 NZ LYS A 47 -7.564 3.044 9.430 1.00 0.00 N ATOM 0 H LYS A 47 -1.295 2.058 7.619 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.894 0.807 7.056 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.343 3.025 8.447 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.323 3.753 6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.611 3.061 6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.646 2.096 7.893 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.178 4.268 9.185 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.477 5.124 7.685 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.544 5.100 8.921 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.739 4.018 7.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.505 3.219 9.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.573 2.144 8.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.861 2.995 10.195 1.00 0.00 H new ATOM 646 N MET A 48 -3.930 1.056 4.597 1.00 0.00 N ATOM 647 CA MET A 48 -3.910 1.099 3.139 1.00 0.00 C ATOM 648 C MET A 48 -5.147 1.810 2.599 1.00 0.00 C ATOM 649 O MET A 48 -6.265 1.310 2.721 1.00 0.00 O ATOM 650 CB MET A 48 -3.831 -0.317 2.567 1.00 0.00 C ATOM 651 CG MET A 48 -2.436 -0.918 2.621 1.00 0.00 C ATOM 652 SD MET A 48 -2.379 -2.602 1.980 1.00 0.00 S ATOM 653 CE MET A 48 -0.780 -3.139 2.581 1.00 0.00 C ATOM 0 H MET A 48 -4.662 0.466 4.992 1.00 0.00 H new ATOM 0 HA MET A 48 -3.027 1.658 2.829 1.00 0.00 H new ATOM 0 HB2 MET A 48 -4.517 -0.961 3.118 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.171 -0.301 1.531 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.753 -0.292 2.047 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.083 -0.914 3.652 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.621 -4.183 2.310 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.002 -2.525 2.133 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.746 -3.036 3.666 1.00 0.00 H new ATOM 663 N VAL A 49 -4.939 2.980 2.003 1.00 0.00 N ATOM 664 CA VAL A 49 -6.037 3.759 1.443 1.00 0.00 C ATOM 665 C VAL A 49 -5.758 4.141 -0.006 1.00 0.00 C ATOM 666 O VAL A 49 -4.877 4.955 -0.285 1.00 0.00 O ATOM 667 CB VAL A 49 -6.290 5.039 2.261 1.00 0.00 C ATOM 668 CG1 VAL A 49 -7.437 5.839 1.661 1.00 0.00 C ATOM 669 CG2 VAL A 49 -6.574 4.695 3.716 1.00 0.00 C ATOM 0 H VAL A 49 -4.020 3.409 1.896 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.925 3.129 1.484 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.391 5.655 2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.601 6.740 2.253 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.190 6.118 0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.343 5.233 1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.750 5.612 4.279 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.457 4.058 3.774 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.719 4.168 4.139 1.00 0.00 H new ATOM 679 N MET A 50 -6.514 3.549 -0.924 1.00 0.00 N ATOM 680 CA MET A 50 -6.348 3.830 -2.346 1.00 0.00 C ATOM 681 C MET A 50 -6.915 5.201 -2.699 1.00 0.00 C ATOM 682 O MET A 50 -8.042 5.532 -2.329 1.00 0.00 O ATOM 683 CB MET A 50 -7.036 2.750 -3.184 1.00 0.00 C ATOM 684 CG MET A 50 -6.172 1.522 -3.420 1.00 0.00 C ATOM 685 SD MET A 50 -6.544 0.701 -4.982 1.00 0.00 S ATOM 686 CE MET A 50 -5.273 -0.561 -5.012 1.00 0.00 C ATOM 0 H MET A 50 -7.247 2.873 -0.710 1.00 0.00 H new ATOM 0 HA MET A 50 -5.281 3.829 -2.569 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.956 2.446 -2.685 1.00 0.00 H new ATOM 0 HB3 MET A 50 -7.320 3.175 -4.147 1.00 0.00 H new ATOM 0 HG2 MET A 50 -5.122 1.814 -3.408 1.00 0.00 H new ATOM 0 HG3 MET A 50 -6.316 0.818 -2.600 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.970 -0.748 -6.042 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.411 -0.223 -4.436 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.663 -1.481 -4.576 1.00 0.00 H new ATOM 696 N ILE A 51 -6.126 5.995 -3.416 1.00 0.00 N ATOM 697 CA ILE A 51 -6.551 7.330 -3.819 1.00 0.00 C ATOM 698 C ILE A 51 -7.177 7.312 -5.209 1.00 0.00 C ATOM 699 O ILE A 51 -6.599 6.775 -6.153 1.00 0.00 O ATOM 700 CB ILE A 51 -5.372 8.322 -3.812 1.00 0.00 C ATOM 701 CG1 ILE A 51 -4.554 8.167 -2.528 1.00 0.00 C ATOM 702 CG2 ILE A 51 -5.879 9.749 -3.954 1.00 0.00 C ATOM 703 CD1 ILE A 51 -5.389 8.228 -1.269 1.00 0.00 C ATOM 0 H ILE A 51 -5.190 5.737 -3.729 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.295 7.657 -3.093 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.726 8.101 -4.661 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.024 7.215 -2.557 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.798 8.951 -2.491 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.034 10.438 -3.947 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.422 9.850 -4.894 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.544 9.983 -3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.744 8.111 -0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.898 9.190 -1.217 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.128 7.427 -1.283 1.00 0.00 H new ATOM 715 N GLN A 52 -8.361 7.903 -5.326 1.00 0.00 N ATOM 716 CA GLN A 52 -9.066 7.956 -6.602 1.00 0.00 C ATOM 717 C GLN A 52 -8.570 9.122 -7.450 1.00 0.00 C ATOM 718 O GLN A 52 -7.990 8.924 -8.518 1.00 0.00 O ATOM 719 CB GLN A 52 -10.573 8.081 -6.372 1.00 0.00 C ATOM 720 CG GLN A 52 -11.389 8.045 -7.654 1.00 0.00 C ATOM 721 CD GLN A 52 -12.881 7.993 -7.394 1.00 0.00 C ATOM 722 OE1 GLN A 52 -13.327 7.490 -6.362 1.00 0.00 O ATOM 723 NE2 GLN A 52 -13.664 8.516 -8.331 1.00 0.00 N ATOM 0 H GLN A 52 -8.853 8.352 -4.553 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.864 7.029 -7.139 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -10.901 7.272 -5.720 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -10.776 9.015 -5.848 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -11.159 8.927 -8.252 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -11.096 7.176 -8.243 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -13.252 8.923 -9.171 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -14.677 8.511 -8.210 1.00 0.00 H new ATOM 732 N ASP A 53 -8.803 10.338 -6.968 1.00 0.00 N ATOM 733 CA ASP A 53 -8.379 11.537 -7.682 1.00 0.00 C ATOM 734 C ASP A 53 -6.860 11.586 -7.809 1.00 0.00 C ATOM 735 O ASP A 53 -6.150 10.780 -7.209 1.00 0.00 O ATOM 736 CB ASP A 53 -8.883 12.790 -6.962 1.00 0.00 C ATOM 737 CG ASP A 53 -10.220 12.568 -6.282 1.00 0.00 C ATOM 738 OD1 ASP A 53 -11.054 11.828 -6.843 1.00 0.00 O ATOM 739 OD2 ASP A 53 -10.432 13.137 -5.190 1.00 0.00 O ATOM 0 H ASP A 53 -9.283 10.519 -6.086 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.808 11.504 -8.683 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.148 13.099 -6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.974 13.606 -7.679 1.00 0.00 H new ATOM 744 N GLY A 54 -6.367 12.536 -8.598 1.00 0.00 N ATOM 745 CA GLY A 54 -4.935 12.671 -8.791 1.00 0.00 C ATOM 746 C GLY A 54 -4.581 13.158 -10.182 1.00 0.00 C ATOM 747 O GLY A 54 -4.592 14.357 -10.465 1.00 0.00 O ATOM 0 H GLY A 54 -6.934 13.214 -9.107 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.536 13.367 -8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.455 11.709 -8.613 1.00 0.00 H new ATOM 751 N PRO A 55 -4.256 12.215 -11.079 1.00 0.00 N ATOM 752 CA PRO A 55 -3.889 12.532 -12.463 1.00 0.00 C ATOM 753 C PRO A 55 -5.077 13.035 -13.276 1.00 0.00 C ATOM 754 O PRO A 55 -6.200 13.097 -12.777 1.00 0.00 O ATOM 755 CB PRO A 55 -3.393 11.193 -13.013 1.00 0.00 C ATOM 756 CG PRO A 55 -4.077 10.164 -12.181 1.00 0.00 C ATOM 757 CD PRO A 55 -4.221 10.768 -10.811 1.00 0.00 C ATOM 0 HA PRO A 55 -3.149 13.331 -12.517 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.645 11.081 -14.068 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.309 11.110 -12.934 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.051 9.908 -12.599 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.495 9.243 -12.142 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.131 10.429 -10.316 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.386 10.499 -10.163 1.00 0.00 H new ATOM 765 N GLN A 56 -4.821 13.392 -14.531 1.00 0.00 N ATOM 766 CA GLN A 56 -5.870 13.889 -15.412 1.00 0.00 C ATOM 767 C GLN A 56 -6.271 12.830 -16.433 1.00 0.00 C ATOM 768 O GLN A 56 -6.244 13.073 -17.638 1.00 0.00 O ATOM 769 CB GLN A 56 -5.403 15.156 -16.131 1.00 0.00 C ATOM 770 CG GLN A 56 -4.085 14.986 -16.869 1.00 0.00 C ATOM 771 CD GLN A 56 -3.624 16.263 -17.544 1.00 0.00 C ATOM 772 OE1 GLN A 56 -3.900 16.490 -18.722 1.00 0.00 O ATOM 773 NE2 GLN A 56 -2.918 17.105 -16.798 1.00 0.00 N ATOM 0 H GLN A 56 -3.897 13.346 -14.960 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.741 14.126 -14.801 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.170 15.465 -16.841 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.301 15.960 -15.403 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.320 14.654 -16.167 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.191 14.202 -17.618 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.713 16.876 -15.826 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.581 17.981 -17.198 1.00 0.00 H new ATOM 782 N ASN A 57 -6.643 11.652 -15.941 1.00 0.00 N ATOM 783 CA ASN A 57 -7.049 10.554 -16.811 1.00 0.00 C ATOM 784 C ASN A 57 -6.102 10.423 -18.000 1.00 0.00 C ATOM 785 O ASN A 57 -6.536 10.350 -19.150 1.00 0.00 O ATOM 786 CB ASN A 57 -8.480 10.771 -17.307 1.00 0.00 C ATOM 787 CG ASN A 57 -9.480 10.847 -16.169 1.00 0.00 C ATOM 788 OD1 ASN A 57 -9.280 10.251 -15.111 1.00 0.00 O ATOM 789 ND2 ASN A 57 -10.565 11.583 -16.383 1.00 0.00 N ATOM 0 H ASN A 57 -6.672 11.434 -14.945 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.008 9.631 -16.232 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.525 11.692 -17.889 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.757 9.957 -17.977 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.273 11.671 -15.654 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.690 12.060 -17.276 1.00 0.00 H new ATOM 796 N THR A 58 -4.804 10.393 -17.715 1.00 0.00 N ATOM 797 CA THR A 58 -3.794 10.272 -18.759 1.00 0.00 C ATOM 798 C THR A 58 -3.301 8.835 -18.882 1.00 0.00 C ATOM 799 O THR A 58 -2.754 8.442 -19.912 1.00 0.00 O ATOM 800 CB THR A 58 -2.591 11.194 -18.488 1.00 0.00 C ATOM 801 OG1 THR A 58 -1.704 11.186 -19.612 1.00 0.00 O ATOM 802 CG2 THR A 58 -1.840 10.752 -17.241 1.00 0.00 C ATOM 0 H THR A 58 -4.427 10.451 -16.769 1.00 0.00 H new ATOM 0 HA THR A 58 -4.268 10.572 -19.693 1.00 0.00 H new ATOM 0 HB THR A 58 -2.966 12.205 -18.328 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.943 11.776 -19.432 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.995 11.418 -17.070 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.509 10.787 -16.381 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.477 9.733 -17.377 1.00 0.00 H new ATOM 810 N GLY A 59 -3.499 8.053 -17.825 1.00 0.00 N ATOM 811 CA GLY A 59 -3.069 6.667 -17.836 1.00 0.00 C ATOM 812 C GLY A 59 -3.979 5.771 -17.020 1.00 0.00 C ATOM 813 O GLY A 59 -4.842 6.253 -16.287 1.00 0.00 O ATOM 0 H GLY A 59 -3.950 8.355 -16.961 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.038 6.308 -18.865 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.054 6.602 -17.445 1.00 0.00 H new ATOM 817 N ALA A 60 -3.787 4.462 -17.147 1.00 0.00 N ATOM 818 CA ALA A 60 -4.597 3.496 -16.415 1.00 0.00 C ATOM 819 C ALA A 60 -3.883 3.025 -15.153 1.00 0.00 C ATOM 820 O ALA A 60 -3.249 1.970 -15.144 1.00 0.00 O ATOM 821 CB ALA A 60 -4.938 2.310 -17.305 1.00 0.00 C ATOM 0 H ALA A 60 -3.077 4.046 -17.750 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.522 3.988 -16.115 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.543 1.597 -16.745 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.497 2.656 -18.174 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.019 1.826 -17.634 1.00 0.00 H new ATOM 827 N ASP A 61 -3.989 3.814 -14.089 1.00 0.00 N ATOM 828 CA ASP A 61 -3.353 3.477 -12.821 1.00 0.00 C ATOM 829 C ASP A 61 -3.971 4.273 -11.675 1.00 0.00 C ATOM 830 O ASP A 61 -4.454 5.389 -11.870 1.00 0.00 O ATOM 831 CB ASP A 61 -1.849 3.746 -12.893 1.00 0.00 C ATOM 832 CG ASP A 61 -1.521 5.224 -12.808 1.00 0.00 C ATOM 833 OD1 ASP A 61 -1.664 5.801 -11.711 1.00 0.00 O ATOM 834 OD2 ASP A 61 -1.120 5.803 -13.840 1.00 0.00 O ATOM 0 H ASP A 61 -4.509 4.691 -14.080 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.515 2.416 -12.632 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.349 3.218 -12.081 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.455 3.342 -13.826 1.00 0.00 H new ATOM 839 N LYS A 62 -3.952 3.692 -10.481 1.00 0.00 N ATOM 840 CA LYS A 62 -4.510 4.346 -9.303 1.00 0.00 C ATOM 841 C LYS A 62 -3.466 4.453 -8.195 1.00 0.00 C ATOM 842 O LYS A 62 -2.927 3.455 -7.718 1.00 0.00 O ATOM 843 CB LYS A 62 -5.730 3.574 -8.795 1.00 0.00 C ATOM 844 CG LYS A 62 -6.722 3.216 -9.888 1.00 0.00 C ATOM 845 CD LYS A 62 -7.614 4.395 -10.239 1.00 0.00 C ATOM 846 CE LYS A 62 -8.909 3.939 -10.893 1.00 0.00 C ATOM 847 NZ LYS A 62 -8.743 3.720 -12.357 1.00 0.00 N ATOM 0 H LYS A 62 -3.556 2.769 -10.303 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.817 5.352 -9.588 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.393 2.659 -8.308 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.237 4.171 -8.037 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.183 2.889 -10.777 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.337 2.377 -9.562 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.841 4.962 -9.336 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.082 5.067 -10.912 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.248 3.015 -10.424 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.685 4.686 -10.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.543 3.162 -12.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.713 4.638 -12.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.856 3.206 -12.533 1.00 0.00 H new ATOM 861 N PRO A 63 -3.174 5.693 -7.775 1.00 0.00 N ATOM 862 CA PRO A 63 -2.195 5.960 -6.717 1.00 0.00 C ATOM 863 C PRO A 63 -2.683 5.505 -5.346 1.00 0.00 C ATOM 864 O PRO A 63 -3.620 6.077 -4.788 1.00 0.00 O ATOM 865 CB PRO A 63 -2.042 7.483 -6.752 1.00 0.00 C ATOM 866 CG PRO A 63 -3.325 7.980 -7.322 1.00 0.00 C ATOM 867 CD PRO A 63 -3.778 6.930 -8.299 1.00 0.00 C ATOM 0 HA PRO A 63 -1.262 5.420 -6.879 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.870 7.886 -5.754 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.193 7.782 -7.368 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.068 8.131 -6.539 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.186 8.941 -7.818 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.865 6.861 -8.339 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.435 7.148 -9.310 1.00 0.00 H new ATOM 875 N LEU A 64 -2.043 4.472 -4.809 1.00 0.00 N ATOM 876 CA LEU A 64 -2.412 3.940 -3.502 1.00 0.00 C ATOM 877 C LEU A 64 -1.532 4.531 -2.405 1.00 0.00 C ATOM 878 O LEU A 64 -0.305 4.462 -2.475 1.00 0.00 O ATOM 879 CB LEU A 64 -2.295 2.415 -3.499 1.00 0.00 C ATOM 880 CG LEU A 64 -2.079 1.760 -2.134 1.00 0.00 C ATOM 881 CD1 LEU A 64 -3.332 1.880 -1.280 1.00 0.00 C ATOM 882 CD2 LEU A 64 -1.681 0.301 -2.299 1.00 0.00 C ATOM 0 H LEU A 64 -1.267 3.986 -5.258 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.446 4.220 -3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.202 2.000 -3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.467 2.133 -4.150 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.267 2.281 -1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.160 1.408 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.572 2.933 -1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.163 1.385 -1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.532 -0.149 -1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.470 -0.234 -2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.755 0.239 -2.871 1.00 0.00 H new ATOM 894 N ARG A 65 -2.167 5.109 -1.391 1.00 0.00 N ATOM 895 CA ARG A 65 -1.442 5.711 -0.279 1.00 0.00 C ATOM 896 C ARG A 65 -1.396 4.763 0.916 1.00 0.00 C ATOM 897 O ARG A 65 -2.434 4.335 1.422 1.00 0.00 O ATOM 898 CB ARG A 65 -2.098 7.032 0.130 1.00 0.00 C ATOM 899 CG ARG A 65 -1.247 7.867 1.073 1.00 0.00 C ATOM 900 CD ARG A 65 -2.074 8.938 1.768 1.00 0.00 C ATOM 901 NE ARG A 65 -1.241 9.865 2.529 1.00 0.00 N ATOM 902 CZ ARG A 65 -0.498 10.814 1.969 1.00 0.00 C ATOM 903 NH1 ARG A 65 -0.485 10.959 0.651 1.00 0.00 N ATOM 904 NH2 ARG A 65 0.233 11.619 2.728 1.00 0.00 N ATOM 0 H ARG A 65 -3.182 5.173 -1.317 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.421 5.906 -0.607 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.311 7.615 -0.766 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.054 6.820 0.608 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.787 7.220 1.819 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.437 8.336 0.515 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.647 9.492 1.025 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.793 8.464 2.437 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.229 9.780 3.545 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.046 10.341 0.064 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.086 11.688 0.224 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.225 11.510 3.742 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.803 12.347 2.298 1.00 0.00 H new ATOM 918 N ILE A 66 -0.187 4.440 1.362 1.00 0.00 N ATOM 919 CA ILE A 66 -0.005 3.544 2.497 1.00 0.00 C ATOM 920 C ILE A 66 0.616 4.276 3.682 1.00 0.00 C ATOM 921 O ILE A 66 1.816 4.550 3.697 1.00 0.00 O ATOM 922 CB ILE A 66 0.883 2.341 2.128 1.00 0.00 C ATOM 923 CG1 ILE A 66 0.292 1.590 0.934 1.00 0.00 C ATOM 924 CG2 ILE A 66 1.037 1.411 3.322 1.00 0.00 C ATOM 925 CD1 ILE A 66 1.009 0.296 0.618 1.00 0.00 C ATOM 0 H ILE A 66 0.682 4.786 0.954 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.995 3.182 2.775 1.00 0.00 H new ATOM 0 HB ILE A 66 1.870 2.709 1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.758 1.375 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.323 2.237 0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.667 0.566 3.046 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.498 1.953 4.148 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.056 1.048 3.629 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.536 -0.182 -0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.053 0.506 0.386 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.956 -0.369 1.480 1.00 0.00 H new ATOM 937 N THR A 67 -0.210 4.590 4.675 1.00 0.00 N ATOM 938 CA THR A 67 0.258 5.290 5.865 1.00 0.00 C ATOM 939 C THR A 67 0.526 4.315 7.006 1.00 0.00 C ATOM 940 O THR A 67 0.020 3.194 7.010 1.00 0.00 O ATOM 941 CB THR A 67 -0.763 6.344 6.335 1.00 0.00 C ATOM 942 OG1 THR A 67 -2.092 5.913 6.020 1.00 0.00 O ATOM 943 CG2 THR A 67 -0.492 7.689 5.679 1.00 0.00 C ATOM 0 H THR A 67 -1.206 4.371 4.679 1.00 0.00 H new ATOM 0 HA THR A 67 1.187 5.791 5.592 1.00 0.00 H new ATOM 0 HB THR A 67 -0.665 6.458 7.415 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.735 6.587 6.323 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.225 8.417 6.026 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.510 8.028 5.944 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.566 7.587 4.596 1.00 0.00 H new ATOM 951 N GLY A 68 1.325 4.751 7.975 1.00 0.00 N ATOM 952 CA GLY A 68 1.647 3.904 9.109 1.00 0.00 C ATOM 953 C GLY A 68 3.010 4.212 9.695 1.00 0.00 C ATOM 954 O GLY A 68 3.188 5.224 10.374 1.00 0.00 O ATOM 0 H GLY A 68 1.755 5.676 7.995 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.887 4.030 9.880 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.616 2.860 8.799 1.00 0.00 H new ATOM 958 N ASP A 69 3.975 3.337 9.435 1.00 0.00 N ATOM 959 CA ASP A 69 5.330 3.520 9.942 1.00 0.00 C ATOM 960 C ASP A 69 6.354 3.375 8.821 1.00 0.00 C ATOM 961 O ASP A 69 6.072 2.823 7.757 1.00 0.00 O ATOM 962 CB ASP A 69 5.623 2.510 11.052 1.00 0.00 C ATOM 963 CG ASP A 69 5.280 3.045 12.428 1.00 0.00 C ATOM 964 OD1 ASP A 69 5.580 4.227 12.696 1.00 0.00 O ATOM 965 OD2 ASP A 69 4.713 2.281 13.238 1.00 0.00 O ATOM 0 H ASP A 69 3.844 2.494 8.876 1.00 0.00 H new ATOM 0 HA ASP A 69 5.406 4.528 10.350 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.055 1.598 10.868 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.679 2.239 11.023 1.00 0.00 H new ATOM 970 N PRO A 70 7.572 3.882 9.062 1.00 0.00 N ATOM 971 CA PRO A 70 8.663 3.821 8.084 1.00 0.00 C ATOM 972 C PRO A 70 9.185 2.402 7.886 1.00 0.00 C ATOM 973 O PRO A 70 9.703 2.064 6.822 1.00 0.00 O ATOM 974 CB PRO A 70 9.745 4.708 8.704 1.00 0.00 C ATOM 975 CG PRO A 70 9.472 4.672 10.168 1.00 0.00 C ATOM 976 CD PRO A 70 7.979 4.554 10.308 1.00 0.00 C ATOM 0 HA PRO A 70 8.342 4.146 7.094 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.743 4.332 8.478 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.693 5.725 8.317 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.976 3.828 10.638 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.840 5.575 10.656 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.703 3.972 11.187 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.506 5.531 10.411 1.00 0.00 H new ATOM 984 N TYR A 71 9.046 1.577 8.917 1.00 0.00 N ATOM 985 CA TYR A 71 9.507 0.194 8.857 1.00 0.00 C ATOM 986 C TYR A 71 8.387 -0.733 8.394 1.00 0.00 C ATOM 987 O TYR A 71 8.639 -1.823 7.880 1.00 0.00 O ATOM 988 CB TYR A 71 10.022 -0.254 10.226 1.00 0.00 C ATOM 989 CG TYR A 71 10.295 -1.738 10.313 1.00 0.00 C ATOM 990 CD1 TYR A 71 11.031 -2.388 9.330 1.00 0.00 C ATOM 991 CD2 TYR A 71 9.817 -2.491 11.379 1.00 0.00 C ATOM 992 CE1 TYR A 71 11.283 -3.744 9.405 1.00 0.00 C ATOM 993 CE2 TYR A 71 10.065 -3.848 11.463 1.00 0.00 C ATOM 994 CZ TYR A 71 10.798 -4.470 10.474 1.00 0.00 C ATOM 995 OH TYR A 71 11.046 -5.821 10.554 1.00 0.00 O ATOM 0 H TYR A 71 8.618 1.841 9.804 1.00 0.00 H new ATOM 0 HA TYR A 71 10.322 0.140 8.135 1.00 0.00 H new ATOM 0 HB2 TYR A 71 10.938 0.290 10.456 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.290 0.018 10.987 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.413 -1.823 8.492 1.00 0.00 H new ATOM 0 HD2 TYR A 71 9.242 -2.007 12.155 1.00 0.00 H new ATOM 0 HE1 TYR A 71 11.856 -4.233 8.632 1.00 0.00 H new ATOM 0 HE2 TYR A 71 9.687 -4.418 12.299 1.00 0.00 H new ATOM 0 HH TYR A 71 10.636 -6.181 11.368 1.00 0.00 H new ATOM 1005 N LYS A 72 7.147 -0.291 8.580 1.00 0.00 N ATOM 1006 CA LYS A 72 5.987 -1.078 8.181 1.00 0.00 C ATOM 1007 C LYS A 72 5.526 -0.695 6.778 1.00 0.00 C ATOM 1008 O LYS A 72 5.418 -1.546 5.895 1.00 0.00 O ATOM 1009 CB LYS A 72 4.842 -0.879 9.177 1.00 0.00 C ATOM 1010 CG LYS A 72 5.234 -1.163 10.617 1.00 0.00 C ATOM 1011 CD LYS A 72 4.024 -1.527 11.462 1.00 0.00 C ATOM 1012 CE LYS A 72 4.420 -2.360 12.672 1.00 0.00 C ATOM 1013 NZ LYS A 72 4.859 -1.509 13.812 1.00 0.00 N ATOM 0 H LYS A 72 6.920 0.608 9.005 1.00 0.00 H new ATOM 0 HA LYS A 72 6.277 -2.129 8.175 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.481 0.147 9.103 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.013 -1.530 8.900 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.957 -1.978 10.644 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.725 -0.287 11.041 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.523 -0.617 11.793 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.309 -2.082 10.855 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.575 -2.975 12.982 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.225 -3.041 12.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.120 -2.114 14.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.681 -0.941 13.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.082 -0.877 14.092 1.00 0.00 H new ATOM 1027 N VAL A 73 5.256 0.592 6.580 1.00 0.00 N ATOM 1028 CA VAL A 73 4.809 1.088 5.284 1.00 0.00 C ATOM 1029 C VAL A 73 5.644 0.499 4.152 1.00 0.00 C ATOM 1030 O VAL A 73 5.130 0.219 3.070 1.00 0.00 O ATOM 1031 CB VAL A 73 4.883 2.625 5.215 1.00 0.00 C ATOM 1032 CG1 VAL A 73 4.724 3.104 3.781 1.00 0.00 C ATOM 1033 CG2 VAL A 73 3.827 3.249 6.115 1.00 0.00 C ATOM 0 H VAL A 73 5.339 1.309 7.300 1.00 0.00 H new ATOM 0 HA VAL A 73 3.771 0.776 5.167 1.00 0.00 H new ATOM 0 HB VAL A 73 5.864 2.941 5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.779 4.192 3.753 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.521 2.684 3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.758 2.779 3.394 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.893 4.335 6.054 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.837 2.927 5.792 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.993 2.932 7.145 1.00 0.00 H new ATOM 1043 N GLN A 74 6.935 0.314 4.411 1.00 0.00 N ATOM 1044 CA GLN A 74 7.841 -0.241 3.413 1.00 0.00 C ATOM 1045 C GLN A 74 7.533 -1.713 3.157 1.00 0.00 C ATOM 1046 O GLN A 74 7.703 -2.207 2.043 1.00 0.00 O ATOM 1047 CB GLN A 74 9.293 -0.083 3.868 1.00 0.00 C ATOM 1048 CG GLN A 74 9.617 -0.845 5.143 1.00 0.00 C ATOM 1049 CD GLN A 74 11.064 -1.295 5.202 1.00 0.00 C ATOM 1050 OE1 GLN A 74 11.925 -0.748 4.512 1.00 0.00 O ATOM 1051 NE2 GLN A 74 11.339 -2.298 6.028 1.00 0.00 N ATOM 0 H GLN A 74 7.376 0.540 5.302 1.00 0.00 H new ATOM 0 HA GLN A 74 7.697 0.308 2.483 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.954 -0.426 3.072 1.00 0.00 H new ATOM 0 HB3 GLN A 74 9.503 0.975 4.024 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.402 -0.213 6.004 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.966 -1.716 5.216 1.00 0.00 H new ATOM 0 HE21 GLN A 74 10.594 -2.722 6.581 1.00 0.00 H new ATOM 0 HE22 GLN A 74 12.295 -2.644 6.109 1.00 0.00 H new ATOM 1060 N GLN A 75 7.080 -2.407 4.197 1.00 0.00 N ATOM 1061 CA GLN A 75 6.750 -3.822 4.084 1.00 0.00 C ATOM 1062 C GLN A 75 5.422 -4.016 3.359 1.00 0.00 C ATOM 1063 O GLN A 75 5.276 -4.925 2.542 1.00 0.00 O ATOM 1064 CB GLN A 75 6.686 -4.465 5.471 1.00 0.00 C ATOM 1065 CG GLN A 75 8.052 -4.794 6.052 1.00 0.00 C ATOM 1066 CD GLN A 75 8.698 -5.991 5.382 1.00 0.00 C ATOM 1067 OE1 GLN A 75 8.013 -6.905 4.923 1.00 0.00 O ATOM 1068 NE2 GLN A 75 10.025 -5.991 5.321 1.00 0.00 N ATOM 0 H GLN A 75 6.934 -2.012 5.126 1.00 0.00 H new ATOM 0 HA GLN A 75 7.534 -4.306 3.502 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.164 -3.792 6.151 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.096 -5.379 5.412 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.705 -3.928 5.948 1.00 0.00 H new ATOM 0 HG3 GLN A 75 7.951 -4.990 7.119 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.554 -5.212 5.714 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.515 -6.770 4.881 1.00 0.00 H new ATOM 1077 N ALA A 76 4.457 -3.155 3.664 1.00 0.00 N ATOM 1078 CA ALA A 76 3.141 -3.230 3.041 1.00 0.00 C ATOM 1079 C ALA A 76 3.214 -2.872 1.561 1.00 0.00 C ATOM 1080 O ALA A 76 2.451 -3.393 0.747 1.00 0.00 O ATOM 1081 CB ALA A 76 2.163 -2.313 3.760 1.00 0.00 C ATOM 0 H ALA A 76 4.562 -2.397 4.339 1.00 0.00 H new ATOM 0 HA ALA A 76 2.786 -4.257 3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.185 -2.379 3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.080 -2.616 4.804 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.523 -1.285 3.708 1.00 0.00 H new ATOM 1087 N LYS A 77 4.136 -1.979 1.217 1.00 0.00 N ATOM 1088 CA LYS A 77 4.310 -1.551 -0.166 1.00 0.00 C ATOM 1089 C LYS A 77 4.611 -2.742 -1.070 1.00 0.00 C ATOM 1090 O LYS A 77 3.887 -3.001 -2.031 1.00 0.00 O ATOM 1091 CB LYS A 77 5.439 -0.524 -0.265 1.00 0.00 C ATOM 1092 CG LYS A 77 6.051 -0.424 -1.652 1.00 0.00 C ATOM 1093 CD LYS A 77 7.282 0.467 -1.656 1.00 0.00 C ATOM 1094 CE LYS A 77 8.521 -0.292 -1.204 1.00 0.00 C ATOM 1095 NZ LYS A 77 9.696 0.608 -1.046 1.00 0.00 N ATOM 0 H LYS A 77 4.775 -1.537 1.878 1.00 0.00 H new ATOM 0 HA LYS A 77 3.379 -1.091 -0.498 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.055 0.454 0.025 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.220 -0.785 0.449 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.320 -1.420 -2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.312 -0.028 -2.349 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.442 0.863 -2.659 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.117 1.321 -0.999 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.316 -0.791 -0.257 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.755 -1.070 -1.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.519 0.053 -0.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.908 1.065 -1.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.483 1.336 -0.334 1.00 0.00 H new ATOM 1109 N GLU A 78 5.682 -3.464 -0.755 1.00 0.00 N ATOM 1110 CA GLU A 78 6.076 -4.627 -1.540 1.00 0.00 C ATOM 1111 C GLU A 78 4.983 -5.691 -1.522 1.00 0.00 C ATOM 1112 O GLU A 78 4.757 -6.381 -2.517 1.00 0.00 O ATOM 1113 CB GLU A 78 7.383 -5.214 -1.001 1.00 0.00 C ATOM 1114 CG GLU A 78 7.458 -5.242 0.516 1.00 0.00 C ATOM 1115 CD GLU A 78 8.622 -6.068 1.028 1.00 0.00 C ATOM 1116 OE1 GLU A 78 9.773 -5.593 0.934 1.00 0.00 O ATOM 1117 OE2 GLU A 78 8.382 -7.189 1.522 1.00 0.00 O ATOM 0 H GLU A 78 6.292 -3.264 0.038 1.00 0.00 H new ATOM 0 HA GLU A 78 6.228 -4.304 -2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.499 -6.229 -1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.219 -4.631 -1.387 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.549 -4.222 0.890 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.528 -5.646 0.915 1.00 0.00 H new ATOM 1124 N MET A 79 4.307 -5.819 -0.385 1.00 0.00 N ATOM 1125 CA MET A 79 3.237 -6.798 -0.238 1.00 0.00 C ATOM 1126 C MET A 79 2.124 -6.543 -1.249 1.00 0.00 C ATOM 1127 O MET A 79 1.614 -7.473 -1.874 1.00 0.00 O ATOM 1128 CB MET A 79 2.670 -6.757 1.183 1.00 0.00 C ATOM 1129 CG MET A 79 3.485 -7.559 2.185 1.00 0.00 C ATOM 1130 SD MET A 79 3.214 -7.025 3.886 1.00 0.00 S ATOM 1131 CE MET A 79 1.433 -7.176 4.008 1.00 0.00 C ATOM 0 H MET A 79 4.481 -5.257 0.448 1.00 0.00 H new ATOM 0 HA MET A 79 3.655 -7.787 -0.426 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.619 -5.720 1.515 1.00 0.00 H new ATOM 0 HB3 MET A 79 1.649 -7.138 1.169 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.228 -8.615 2.094 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.544 -7.466 1.943 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.119 -6.966 5.031 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.960 -6.465 3.330 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.134 -8.189 3.738 1.00 0.00 H new ATOM 1141 N VAL A 80 1.751 -5.277 -1.405 1.00 0.00 N ATOM 1142 CA VAL A 80 0.699 -4.899 -2.341 1.00 0.00 C ATOM 1143 C VAL A 80 1.202 -4.940 -3.780 1.00 0.00 C ATOM 1144 O VAL A 80 0.478 -5.342 -4.692 1.00 0.00 O ATOM 1145 CB VAL A 80 0.157 -3.490 -2.039 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -0.958 -3.126 -3.007 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -0.326 -3.403 -0.599 1.00 0.00 C ATOM 0 H VAL A 80 2.162 -4.495 -0.895 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.106 -5.623 -2.220 1.00 0.00 H new ATOM 0 HB VAL A 80 0.967 -2.773 -2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.328 -2.127 -2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.575 -3.145 -4.027 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.772 -3.845 -2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.706 -2.400 -0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.121 -4.130 -0.437 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.503 -3.616 0.076 1.00 0.00 H new ATOM 1157 N LEU A 81 2.448 -4.523 -3.977 1.00 0.00 N ATOM 1158 CA LEU A 81 3.050 -4.512 -5.305 1.00 0.00 C ATOM 1159 C LEU A 81 3.110 -5.920 -5.888 1.00 0.00 C ATOM 1160 O LEU A 81 2.830 -6.126 -7.068 1.00 0.00 O ATOM 1161 CB LEU A 81 4.456 -3.913 -5.245 1.00 0.00 C ATOM 1162 CG LEU A 81 4.533 -2.394 -5.085 1.00 0.00 C ATOM 1163 CD1 LEU A 81 5.939 -1.969 -4.692 1.00 0.00 C ATOM 1164 CD2 LEU A 81 4.103 -1.701 -6.369 1.00 0.00 C ATOM 0 H LEU A 81 3.061 -4.188 -3.234 1.00 0.00 H new ATOM 0 HA LEU A 81 2.427 -3.896 -5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.990 -4.373 -4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.986 -4.189 -6.156 1.00 0.00 H new ATOM 0 HG LEU A 81 3.851 -2.096 -4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.974 -0.885 -4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.210 -2.438 -3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.642 -2.279 -5.465 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.164 -0.621 -6.237 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.760 -2.005 -7.184 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.077 -1.980 -6.607 1.00 0.00 H new ATOM 1176 N GLU A 82 3.474 -6.887 -5.051 1.00 0.00 N ATOM 1177 CA GLU A 82 3.568 -8.276 -5.483 1.00 0.00 C ATOM 1178 C GLU A 82 2.187 -8.842 -5.801 1.00 0.00 C ATOM 1179 O GLU A 82 2.064 -9.874 -6.463 1.00 0.00 O ATOM 1180 CB GLU A 82 4.243 -9.125 -4.404 1.00 0.00 C ATOM 1181 CG GLU A 82 4.807 -10.436 -4.924 1.00 0.00 C ATOM 1182 CD GLU A 82 5.925 -10.977 -4.054 1.00 0.00 C ATOM 1183 OE1 GLU A 82 6.921 -10.252 -3.848 1.00 0.00 O ATOM 1184 OE2 GLU A 82 5.804 -12.125 -3.579 1.00 0.00 O ATOM 0 H GLU A 82 3.708 -6.734 -4.070 1.00 0.00 H new ATOM 0 HA GLU A 82 4.172 -8.307 -6.390 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.048 -8.547 -3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.520 -9.337 -3.616 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.007 -11.174 -4.981 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.179 -10.290 -5.938 1.00 0.00 H new ATOM 1191 N LEU A 83 1.151 -8.160 -5.326 1.00 0.00 N ATOM 1192 CA LEU A 83 -0.222 -8.593 -5.558 1.00 0.00 C ATOM 1193 C LEU A 83 -0.653 -8.293 -6.990 1.00 0.00 C ATOM 1194 O LEU A 83 -1.244 -9.139 -7.661 1.00 0.00 O ATOM 1195 CB LEU A 83 -1.169 -7.905 -4.573 1.00 0.00 C ATOM 1196 CG LEU A 83 -2.489 -8.626 -4.296 1.00 0.00 C ATOM 1197 CD1 LEU A 83 -3.354 -8.654 -5.546 1.00 0.00 C ATOM 1198 CD2 LEU A 83 -2.230 -10.038 -3.792 1.00 0.00 C ATOM 0 H LEU A 83 1.236 -7.304 -4.777 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.268 -9.671 -5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.644 -7.774 -3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.395 -6.909 -4.953 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.025 -8.078 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.289 -9.171 -5.330 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.568 -7.633 -5.863 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.826 -9.178 -6.343 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.180 -10.536 -3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.673 -10.596 -4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.651 -9.995 -2.870 1.00 0.00 H new ATOM 1210 N ILE A 84 -0.352 -7.084 -7.451 1.00 0.00 N ATOM 1211 CA ILE A 84 -0.705 -6.673 -8.804 1.00 0.00 C ATOM 1212 C ILE A 84 0.313 -7.185 -9.818 1.00 0.00 C ATOM 1213 O ILE A 84 -0.031 -7.487 -10.960 1.00 0.00 O ATOM 1214 CB ILE A 84 -0.803 -5.140 -8.920 1.00 0.00 C ATOM 1215 CG1 ILE A 84 0.541 -4.495 -8.575 1.00 0.00 C ATOM 1216 CG2 ILE A 84 -1.901 -4.609 -8.012 1.00 0.00 C ATOM 1217 CD1 ILE A 84 1.469 -4.360 -9.761 1.00 0.00 C ATOM 0 H ILE A 84 0.136 -6.372 -6.907 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.680 -7.108 -9.021 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.055 -4.883 -9.949 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.362 -3.507 -8.150 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.033 -5.089 -7.805 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.958 -3.524 -8.105 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.856 -5.048 -8.300 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.678 -4.873 -6.978 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.402 -3.895 -9.442 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.678 -5.347 -10.174 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.997 -3.741 -10.524 1.00 0.00 H new ATOM 1229 N ARG A 85 1.568 -7.280 -9.391 1.00 0.00 N ATOM 1230 CA ARG A 85 2.637 -7.755 -10.261 1.00 0.00 C ATOM 1231 C ARG A 85 2.201 -9.002 -11.026 1.00 0.00 C ATOM 1232 O ARG A 85 1.230 -9.661 -10.656 1.00 0.00 O ATOM 1233 CB ARG A 85 3.892 -8.060 -9.442 1.00 0.00 C ATOM 1234 CG ARG A 85 4.829 -6.871 -9.298 1.00 0.00 C ATOM 1235 CD ARG A 85 6.180 -7.291 -8.741 1.00 0.00 C ATOM 1236 NE ARG A 85 6.888 -8.194 -9.644 1.00 0.00 N ATOM 1237 CZ ARG A 85 8.061 -8.748 -9.359 1.00 0.00 C ATOM 1238 NH1 ARG A 85 8.654 -8.493 -8.201 1.00 0.00 N ATOM 1239 NH2 ARG A 85 8.642 -9.560 -10.233 1.00 0.00 N ATOM 0 H ARG A 85 1.869 -7.034 -8.448 1.00 0.00 H new ATOM 0 HA ARG A 85 2.863 -6.968 -10.980 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.595 -8.400 -8.450 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.432 -8.882 -9.912 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.967 -6.395 -10.269 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.378 -6.128 -8.640 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.790 -6.405 -8.563 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.038 -7.780 -7.777 1.00 0.00 H new ATOM 0 HE ARG A 85 6.458 -8.411 -10.543 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.209 -7.870 -7.527 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.555 -8.920 -7.984 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.188 -9.759 -11.124 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.543 -9.985 -10.014 1.00 0.00 H new ATOM 1253 N ASP A 86 2.926 -9.317 -12.094 1.00 0.00 N ATOM 1254 CA ASP A 86 2.615 -10.484 -12.911 1.00 0.00 C ATOM 1255 C ASP A 86 2.750 -11.768 -12.098 1.00 0.00 C ATOM 1256 O ASP A 86 3.376 -11.780 -11.039 1.00 0.00 O ATOM 1257 CB ASP A 86 3.535 -10.539 -14.131 1.00 0.00 C ATOM 1258 CG ASP A 86 3.013 -11.468 -15.209 1.00 0.00 C ATOM 1259 OD1 ASP A 86 1.903 -11.216 -15.723 1.00 0.00 O ATOM 1260 OD2 ASP A 86 3.713 -12.448 -15.539 1.00 0.00 O ATOM 0 H ASP A 86 3.733 -8.781 -12.414 1.00 0.00 H new ATOM 0 HA ASP A 86 1.582 -10.396 -13.248 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.647 -9.536 -14.543 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.526 -10.869 -13.820 1.00 0.00 H new ATOM 1265 N GLN A 87 2.159 -12.847 -12.602 1.00 0.00 N ATOM 1266 CA GLN A 87 2.213 -14.135 -11.922 1.00 0.00 C ATOM 1267 C GLN A 87 1.891 -15.273 -12.884 1.00 0.00 C ATOM 1268 O GLN A 87 1.047 -15.132 -13.769 1.00 0.00 O ATOM 1269 CB GLN A 87 1.236 -14.155 -10.744 1.00 0.00 C ATOM 1270 CG GLN A 87 1.647 -15.102 -9.629 1.00 0.00 C ATOM 1271 CD GLN A 87 1.117 -14.674 -8.275 1.00 0.00 C ATOM 1272 OE1 GLN A 87 -0.018 -14.210 -8.158 1.00 0.00 O ATOM 1273 NE2 GLN A 87 1.937 -14.827 -7.242 1.00 0.00 N ATOM 0 H GLN A 87 1.638 -12.854 -13.479 1.00 0.00 H new ATOM 0 HA GLN A 87 3.227 -14.277 -11.547 1.00 0.00 H new ATOM 0 HB2 GLN A 87 1.148 -13.147 -10.339 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.249 -14.441 -11.107 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.284 -16.104 -9.857 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.735 -15.158 -9.588 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.869 -15.216 -7.384 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.635 -14.556 -6.306 1.00 0.00 H new ATOM 1282 N GLY A 88 2.569 -16.403 -12.706 1.00 0.00 N ATOM 1283 CA GLY A 88 2.341 -17.549 -13.567 1.00 0.00 C ATOM 1284 C GLY A 88 2.174 -18.837 -12.785 1.00 0.00 C ATOM 1285 O GLY A 88 2.897 -19.083 -11.820 1.00 0.00 O ATOM 0 H GLY A 88 3.272 -16.545 -11.981 1.00 0.00 H new ATOM 0 HA2 GLY A 88 1.450 -17.375 -14.170 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.178 -17.653 -14.258 1.00 0.00 H new ATOM 1289 N SER A 89 1.218 -19.660 -13.202 1.00 0.00 N ATOM 1290 CA SER A 89 0.954 -20.928 -12.531 1.00 0.00 C ATOM 1291 C SER A 89 1.429 -22.102 -13.381 1.00 0.00 C ATOM 1292 O SER A 89 2.232 -22.920 -12.937 1.00 0.00 O ATOM 1293 CB SER A 89 -0.540 -21.070 -12.233 1.00 0.00 C ATOM 1294 OG SER A 89 -1.029 -19.942 -11.529 1.00 0.00 O ATOM 0 H SER A 89 0.613 -19.472 -14.001 1.00 0.00 H new ATOM 0 HA SER A 89 1.507 -20.936 -11.592 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.091 -21.187 -13.166 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.713 -21.972 -11.646 1.00 0.00 H new ATOM 0 HG SER A 89 -1.986 -20.056 -11.352 1.00 0.00 H new ATOM 1300 N GLY A 90 0.924 -22.177 -14.609 1.00 0.00 N ATOM 1301 CA GLY A 90 1.307 -23.254 -15.504 1.00 0.00 C ATOM 1302 C GLY A 90 1.932 -22.746 -16.788 1.00 0.00 C ATOM 1303 O GLY A 90 1.268 -22.614 -17.816 1.00 0.00 O ATOM 0 H GLY A 90 0.257 -21.512 -15.000 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.012 -23.911 -14.996 1.00 0.00 H new ATOM 0 HA3 GLY A 90 0.428 -23.853 -15.743 1.00 0.00 H new ATOM 1307 N PRO A 91 3.239 -22.451 -16.738 1.00 0.00 N ATOM 1308 CA PRO A 91 3.982 -21.949 -17.898 1.00 0.00 C ATOM 1309 C PRO A 91 4.164 -23.013 -18.974 1.00 0.00 C ATOM 1310 O PRO A 91 4.348 -22.696 -20.149 1.00 0.00 O ATOM 1311 CB PRO A 91 5.337 -21.551 -17.306 1.00 0.00 C ATOM 1312 CG PRO A 91 5.482 -22.398 -16.089 1.00 0.00 C ATOM 1313 CD PRO A 91 4.093 -22.584 -15.545 1.00 0.00 C ATOM 0 HA PRO A 91 3.460 -21.130 -18.393 1.00 0.00 H new ATOM 0 HB2 PRO A 91 6.147 -21.732 -18.013 1.00 0.00 H new ATOM 0 HB3 PRO A 91 5.364 -20.490 -17.056 1.00 0.00 H new ATOM 0 HG2 PRO A 91 5.937 -23.358 -16.334 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.128 -21.917 -15.354 1.00 0.00 H new ATOM 0 HD2 PRO A 91 3.974 -23.559 -15.072 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.852 -21.833 -14.793 1.00 0.00 H new ATOM 1321 N SER A 92 4.110 -24.277 -18.566 1.00 0.00 N ATOM 1322 CA SER A 92 4.273 -25.388 -19.496 1.00 0.00 C ATOM 1323 C SER A 92 3.168 -26.423 -19.304 1.00 0.00 C ATOM 1324 O SER A 92 2.799 -26.751 -18.176 1.00 0.00 O ATOM 1325 CB SER A 92 5.641 -26.045 -19.306 1.00 0.00 C ATOM 1326 OG SER A 92 6.658 -25.301 -19.954 1.00 0.00 O ATOM 0 H SER A 92 3.955 -24.557 -17.598 1.00 0.00 H new ATOM 0 HA SER A 92 4.206 -24.993 -20.510 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.865 -26.124 -18.242 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.619 -27.060 -19.703 1.00 0.00 H new ATOM 0 HG SER A 92 7.523 -25.741 -19.816 1.00 0.00 H new ATOM 1332 N SER A 93 2.644 -26.933 -20.414 1.00 0.00 N ATOM 1333 CA SER A 93 1.579 -27.928 -20.369 1.00 0.00 C ATOM 1334 C SER A 93 2.141 -29.334 -20.559 1.00 0.00 C ATOM 1335 O SER A 93 1.846 -30.243 -19.784 1.00 0.00 O ATOM 1336 CB SER A 93 0.533 -27.635 -21.446 1.00 0.00 C ATOM 1337 OG SER A 93 -0.423 -26.695 -20.985 1.00 0.00 O ATOM 0 H SER A 93 2.940 -26.674 -21.355 1.00 0.00 H new ATOM 0 HA SER A 93 1.106 -27.874 -19.389 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.024 -27.250 -22.340 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.031 -28.559 -21.731 1.00 0.00 H new ATOM 0 HG SER A 93 -1.080 -26.523 -21.692 1.00 0.00 H new ATOM 1343 N GLY A 94 2.953 -29.505 -21.598 1.00 0.00 N ATOM 1344 CA GLY A 94 3.543 -30.802 -21.873 1.00 0.00 C ATOM 1345 C GLY A 94 3.853 -30.998 -23.344 1.00 0.00 C ATOM 1346 O GLY A 94 4.080 -32.121 -23.793 1.00 0.00 O ATOM 0 H GLY A 94 3.213 -28.768 -22.254 1.00 0.00 H new ATOM 0 HA2 GLY A 94 4.460 -30.911 -21.294 1.00 0.00 H new ATOM 0 HA3 GLY A 94 2.862 -31.585 -21.541 1.00 0.00 H new TER 1350 GLY A 94