USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 722 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 60 SER OG : rot -109:sc= 0.445 USER MOD Set 1.2: A 62 GLN : amide:sc= 0.214 K(o=0.66,f=-2.1!) USER MOD Set 2.1: A 55 SER OG : rot 65:sc= 0.13 USER MOD Set 2.2: A 83 THR OG1 : rot 143:sc= 1.12 USER MOD Set 3.1: A 29 MET CE :methyl 141:sc= -0.166 (180deg=-0.139) USER MOD Set 3.2: A 32 THR OG1 : rot 140:sc= -0.0153 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 30:sc= 0.398 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 SER OG : rot 180:sc= -0.143 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -2.23! C(o=-2.2!,f=-3.2!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.141 K(o=-0.14,f=-2!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.186 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc=-0.00847 X(o=-0.0085,f=0) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 MET CE :methyl -172:sc= -0.338 (180deg=-0.39) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.625 USER MOD Single : A 66 HIS : no HE2:sc= -1.81 K(o=-1.8,f=-7.2!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN :FLIP amide:sc= -3.17! C(o=-4!,f=-3.2!) USER MOD Single : A 72 LYS NZ :NH3+ -161:sc= -0.0751 (180deg=-0.303) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot 59:sc= -2.12! USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0101 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl -179:sc= -4.1! (180deg=-4.16!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.742 -21.003 16.875 1.00 0.00 N ATOM 2 CA GLY A 1 -7.213 -21.485 15.588 1.00 0.00 C ATOM 3 C GLY A 1 -7.352 -20.334 14.589 1.00 0.00 C ATOM 4 O GLY A 1 -6.357 -19.739 14.180 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.656 -21.802 17.535 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.813 -20.550 16.757 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.419 -20.311 17.256 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.518 -22.228 15.197 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.175 -21.982 15.712 1.00 0.00 H new ATOM 8 N SER A 2 -8.596 -20.055 14.226 1.00 0.00 N ATOM 9 CA SER A 2 -8.878 -18.986 13.283 1.00 0.00 C ATOM 10 C SER A 2 -9.377 -17.748 14.030 1.00 0.00 C ATOM 11 O SER A 2 -10.128 -17.862 14.996 1.00 0.00 O ATOM 12 CB SER A 2 -9.908 -19.429 12.241 1.00 0.00 C ATOM 13 OG SER A 2 -11.049 -20.035 12.843 1.00 0.00 O ATOM 0 H SER A 2 -9.419 -20.551 14.568 1.00 0.00 H new ATOM 0 HA SER A 2 -7.955 -18.739 12.759 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.223 -18.567 11.653 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.445 -20.134 11.550 1.00 0.00 H new ATOM 0 HG SER A 2 -11.684 -20.302 12.146 1.00 0.00 H new ATOM 19 N SER A 3 -8.938 -16.592 13.553 1.00 0.00 N ATOM 20 CA SER A 3 -9.330 -15.333 14.163 1.00 0.00 C ATOM 21 C SER A 3 -9.215 -14.199 13.143 1.00 0.00 C ATOM 22 O SER A 3 -8.512 -14.329 12.142 1.00 0.00 O ATOM 23 CB SER A 3 -8.476 -15.028 15.395 1.00 0.00 C ATOM 24 OG SER A 3 -9.004 -15.630 16.574 1.00 0.00 O ATOM 0 H SER A 3 -8.314 -16.501 12.751 1.00 0.00 H new ATOM 0 HA SER A 3 -10.367 -15.418 14.486 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.460 -15.386 15.229 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.415 -13.949 15.535 1.00 0.00 H new ATOM 0 HG SER A 3 -9.472 -16.458 16.337 1.00 0.00 H new ATOM 30 N GLY A 4 -9.915 -13.112 13.433 1.00 0.00 N ATOM 31 CA GLY A 4 -9.899 -11.955 12.553 1.00 0.00 C ATOM 32 C GLY A 4 -10.216 -10.674 13.327 1.00 0.00 C ATOM 33 O GLY A 4 -11.382 -10.362 13.568 1.00 0.00 O ATOM 0 H GLY A 4 -10.497 -13.008 14.264 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.921 -11.866 12.081 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.628 -12.091 11.754 1.00 0.00 H new ATOM 37 N SER A 5 -9.159 -9.966 13.695 1.00 0.00 N ATOM 38 CA SER A 5 -9.310 -8.725 14.436 1.00 0.00 C ATOM 39 C SER A 5 -8.202 -7.744 14.046 1.00 0.00 C ATOM 40 O SER A 5 -7.129 -8.156 13.607 1.00 0.00 O ATOM 41 CB SER A 5 -9.287 -8.979 15.945 1.00 0.00 C ATOM 42 OG SER A 5 -10.370 -8.336 16.610 1.00 0.00 O ATOM 0 H SER A 5 -8.194 -10.228 13.494 1.00 0.00 H new ATOM 0 HA SER A 5 -10.277 -8.290 14.182 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.332 -10.052 16.133 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.344 -8.622 16.359 1.00 0.00 H new ATOM 0 HG SER A 5 -10.321 -8.523 17.571 1.00 0.00 H new ATOM 48 N SER A 6 -8.500 -6.465 14.220 1.00 0.00 N ATOM 49 CA SER A 6 -7.543 -5.422 13.892 1.00 0.00 C ATOM 50 C SER A 6 -6.152 -5.810 14.399 1.00 0.00 C ATOM 51 O SER A 6 -6.022 -6.678 15.261 1.00 0.00 O ATOM 52 CB SER A 6 -7.968 -4.078 14.484 1.00 0.00 C ATOM 53 OG SER A 6 -7.795 -4.039 15.898 1.00 0.00 O ATOM 0 H SER A 6 -9.391 -6.127 14.584 1.00 0.00 H new ATOM 0 HA SER A 6 -7.511 -5.316 12.808 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.385 -3.279 14.025 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.014 -3.889 14.241 1.00 0.00 H new ATOM 0 HG SER A 6 -8.076 -3.164 16.238 1.00 0.00 H new ATOM 59 N GLY A 7 -5.149 -5.148 13.842 1.00 0.00 N ATOM 60 CA GLY A 7 -3.773 -5.412 14.228 1.00 0.00 C ATOM 61 C GLY A 7 -2.795 -4.684 13.303 1.00 0.00 C ATOM 62 O GLY A 7 -3.014 -4.611 12.095 1.00 0.00 O ATOM 0 H GLY A 7 -5.261 -4.430 13.127 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.612 -5.092 15.257 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.581 -6.484 14.194 1.00 0.00 H new ATOM 66 N SER A 8 -1.736 -4.163 13.906 1.00 0.00 N ATOM 67 CA SER A 8 -0.724 -3.444 13.152 1.00 0.00 C ATOM 68 C SER A 8 0.405 -4.395 12.752 1.00 0.00 C ATOM 69 O SER A 8 0.537 -5.480 13.316 1.00 0.00 O ATOM 70 CB SER A 8 -0.168 -2.269 13.959 1.00 0.00 C ATOM 71 OG SER A 8 0.856 -1.573 13.253 1.00 0.00 O ATOM 0 H SER A 8 -1.557 -4.225 14.908 1.00 0.00 H new ATOM 0 HA SER A 8 -1.189 -3.044 12.251 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.977 -1.579 14.198 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.229 -2.635 14.906 1.00 0.00 H new ATOM 0 HG SER A 8 1.184 -0.829 13.801 1.00 0.00 H new ATOM 77 N VAL A 9 1.191 -3.954 11.781 1.00 0.00 N ATOM 78 CA VAL A 9 2.305 -4.752 11.298 1.00 0.00 C ATOM 79 C VAL A 9 3.516 -3.845 11.070 1.00 0.00 C ATOM 80 O VAL A 9 3.376 -2.627 10.982 1.00 0.00 O ATOM 81 CB VAL A 9 1.891 -5.524 10.044 1.00 0.00 C ATOM 82 CG1 VAL A 9 0.993 -4.670 9.146 1.00 0.00 C ATOM 83 CG2 VAL A 9 3.118 -6.022 9.277 1.00 0.00 C ATOM 0 H VAL A 9 1.078 -3.054 11.315 1.00 0.00 H new ATOM 0 HA VAL A 9 2.592 -5.496 12.041 1.00 0.00 H new ATOM 0 HB VAL A 9 1.317 -6.395 10.361 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.713 -5.242 8.262 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.095 -4.386 9.694 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.531 -3.772 8.842 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.796 -6.568 8.390 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.730 -5.171 8.977 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.703 -6.683 9.917 1.00 0.00 H new ATOM 93 N SER A 10 4.678 -4.475 10.980 1.00 0.00 N ATOM 94 CA SER A 10 5.913 -3.741 10.764 1.00 0.00 C ATOM 95 C SER A 10 6.719 -4.392 9.639 1.00 0.00 C ATOM 96 O SER A 10 6.839 -5.615 9.583 1.00 0.00 O ATOM 97 CB SER A 10 6.747 -3.676 12.045 1.00 0.00 C ATOM 98 OG SER A 10 8.000 -3.031 11.834 1.00 0.00 O ATOM 0 H SER A 10 4.790 -5.486 11.053 1.00 0.00 H new ATOM 0 HA SER A 10 5.658 -2.721 10.477 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.189 -3.142 12.814 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.917 -4.686 12.418 1.00 0.00 H new ATOM 0 HG SER A 10 8.502 -3.008 12.675 1.00 0.00 H new ATOM 104 N LEU A 11 7.251 -3.545 8.769 1.00 0.00 N ATOM 105 CA LEU A 11 8.042 -4.023 7.647 1.00 0.00 C ATOM 106 C LEU A 11 9.451 -3.433 7.735 1.00 0.00 C ATOM 107 O LEU A 11 9.645 -2.362 8.307 1.00 0.00 O ATOM 108 CB LEU A 11 7.332 -3.726 6.325 1.00 0.00 C ATOM 109 CG LEU A 11 5.809 -3.868 6.335 1.00 0.00 C ATOM 110 CD1 LEU A 11 5.196 -3.297 5.054 1.00 0.00 C ATOM 111 CD2 LEU A 11 5.396 -5.323 6.569 1.00 0.00 C ATOM 0 H LEU A 11 7.150 -2.531 8.818 1.00 0.00 H new ATOM 0 HA LEU A 11 8.146 -5.107 7.689 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.580 -2.709 6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.734 -4.392 5.562 1.00 0.00 H new ATOM 0 HG LEU A 11 5.417 -3.284 7.167 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.112 -3.411 5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.447 -2.240 4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.591 -3.833 4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.308 -5.397 6.572 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.800 -5.948 5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.785 -5.662 7.529 1.00 0.00 H new ATOM 123 N VAL A 12 10.398 -4.159 7.160 1.00 0.00 N ATOM 124 CA VAL A 12 11.784 -3.721 7.166 1.00 0.00 C ATOM 125 C VAL A 12 12.249 -3.494 5.726 1.00 0.00 C ATOM 126 O VAL A 12 12.470 -4.449 4.983 1.00 0.00 O ATOM 127 CB VAL A 12 12.649 -4.732 7.921 1.00 0.00 C ATOM 128 CG1 VAL A 12 12.528 -6.127 7.302 1.00 0.00 C ATOM 129 CG2 VAL A 12 14.109 -4.277 7.967 1.00 0.00 C ATOM 0 H VAL A 12 10.233 -5.047 6.687 1.00 0.00 H new ATOM 0 HA VAL A 12 11.882 -2.772 7.693 1.00 0.00 H new ATOM 0 HB VAL A 12 12.283 -4.788 8.946 1.00 0.00 H new ATOM 0 HG11 VAL A 12 13.153 -6.827 7.857 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.489 -6.455 7.344 1.00 0.00 H new ATOM 0 HG13 VAL A 12 12.856 -6.094 6.263 1.00 0.00 H new ATOM 0 HG21 VAL A 12 14.703 -5.013 8.509 1.00 0.00 H new ATOM 0 HG22 VAL A 12 14.492 -4.179 6.951 1.00 0.00 H new ATOM 0 HG23 VAL A 12 14.174 -3.314 8.474 1.00 0.00 H new ATOM 139 N GLY A 13 12.383 -2.223 5.374 1.00 0.00 N ATOM 140 CA GLY A 13 12.817 -1.859 4.037 1.00 0.00 C ATOM 141 C GLY A 13 12.939 -0.340 3.895 1.00 0.00 C ATOM 142 O GLY A 13 12.264 0.409 4.599 1.00 0.00 O ATOM 0 H GLY A 13 12.198 -1.433 5.992 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.778 -2.326 3.823 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.107 -2.241 3.304 1.00 0.00 H new ATOM 146 N PRO A 14 13.828 0.080 2.955 1.00 0.00 N ATOM 147 CA PRO A 14 14.048 1.495 2.712 1.00 0.00 C ATOM 148 C PRO A 14 12.882 2.105 1.931 1.00 0.00 C ATOM 149 O PRO A 14 12.832 3.317 1.727 1.00 0.00 O ATOM 150 CB PRO A 14 15.367 1.566 1.961 1.00 0.00 C ATOM 151 CG PRO A 14 15.606 0.171 1.406 1.00 0.00 C ATOM 152 CD PRO A 14 14.646 -0.779 2.103 1.00 0.00 C ATOM 0 HA PRO A 14 14.098 2.076 3.633 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.321 2.303 1.159 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.178 1.867 2.624 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.443 0.156 0.328 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.638 -0.136 1.577 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.033 -1.322 1.383 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.183 -1.524 2.690 1.00 0.00 H new ATOM 160 N ALA A 15 11.972 1.236 1.514 1.00 0.00 N ATOM 161 CA ALA A 15 10.810 1.673 0.760 1.00 0.00 C ATOM 162 C ALA A 15 10.193 0.472 0.040 1.00 0.00 C ATOM 163 O ALA A 15 8.989 0.239 0.135 1.00 0.00 O ATOM 164 CB ALA A 15 11.218 2.785 -0.208 1.00 0.00 C ATOM 0 H ALA A 15 12.017 0.231 1.684 1.00 0.00 H new ATOM 0 HA ALA A 15 10.052 2.083 1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.346 3.113 -0.774 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.623 3.626 0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.976 2.409 -0.895 1.00 0.00 H new ATOM 170 N PRO A 16 11.069 -0.278 -0.681 1.00 0.00 N ATOM 171 CA PRO A 16 10.622 -1.450 -1.416 1.00 0.00 C ATOM 172 C PRO A 16 10.347 -2.619 -0.468 1.00 0.00 C ATOM 173 O PRO A 16 11.156 -3.540 -0.362 1.00 0.00 O ATOM 174 CB PRO A 16 11.736 -1.739 -2.409 1.00 0.00 C ATOM 175 CG PRO A 16 12.962 -1.010 -1.884 1.00 0.00 C ATOM 176 CD PRO A 16 12.502 -0.032 -0.815 1.00 0.00 C ATOM 0 HA PRO A 16 9.677 -1.287 -1.934 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.922 -2.810 -2.486 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.471 -1.389 -3.406 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.679 -1.719 -1.470 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.467 -0.482 -2.693 1.00 0.00 H new ATOM 0 HD2 PRO A 16 13.023 -0.201 0.127 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.701 0.999 -1.109 1.00 0.00 H new ATOM 184 N TRP A 17 9.203 -2.545 0.196 1.00 0.00 N ATOM 185 CA TRP A 17 8.811 -3.586 1.130 1.00 0.00 C ATOM 186 C TRP A 17 8.449 -4.834 0.323 1.00 0.00 C ATOM 187 O TRP A 17 8.511 -5.950 0.838 1.00 0.00 O ATOM 188 CB TRP A 17 7.674 -3.109 2.036 1.00 0.00 C ATOM 189 CG TRP A 17 7.714 -1.612 2.350 1.00 0.00 C ATOM 190 CD1 TRP A 17 7.156 -0.609 1.658 1.00 0.00 C ATOM 191 CD2 TRP A 17 8.371 -0.986 3.472 1.00 0.00 C ATOM 192 NE1 TRP A 17 7.405 0.613 2.248 1.00 0.00 N ATOM 193 CE2 TRP A 17 8.168 0.377 3.387 1.00 0.00 C ATOM 194 CE3 TRP A 17 9.113 -1.551 4.523 1.00 0.00 C ATOM 195 CZ2 TRP A 17 8.673 1.287 4.322 1.00 0.00 C ATOM 196 CZ3 TRP A 17 9.612 -0.628 5.450 1.00 0.00 C ATOM 197 CH2 TRP A 17 9.416 0.746 5.378 1.00 0.00 C ATOM 0 H TRP A 17 8.535 -1.780 0.105 1.00 0.00 H new ATOM 0 HA TRP A 17 9.634 -3.832 1.801 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.722 -3.345 1.561 1.00 0.00 H new ATOM 0 HB3 TRP A 17 7.710 -3.667 2.972 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.583 -0.741 0.752 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.088 1.522 1.911 1.00 0.00 H new ATOM 0 HE3 TRP A 17 9.285 -2.614 4.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.499 2.349 4.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.189 -1.010 6.279 1.00 0.00 H new ATOM 0 HH2 TRP A 17 9.835 1.394 6.134 1.00 0.00 H new ATOM 208 N GLY A 18 8.079 -4.604 -0.928 1.00 0.00 N ATOM 209 CA GLY A 18 7.707 -5.696 -1.811 1.00 0.00 C ATOM 210 C GLY A 18 6.218 -5.639 -2.157 1.00 0.00 C ATOM 211 O GLY A 18 5.772 -6.283 -3.105 1.00 0.00 O ATOM 0 H GLY A 18 8.029 -3.677 -1.351 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.298 -5.647 -2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.937 -6.649 -1.334 1.00 0.00 H new ATOM 215 N PHE A 19 5.490 -4.862 -1.368 1.00 0.00 N ATOM 216 CA PHE A 19 4.060 -4.713 -1.579 1.00 0.00 C ATOM 217 C PHE A 19 3.736 -3.353 -2.201 1.00 0.00 C ATOM 218 O PHE A 19 4.513 -2.408 -2.074 1.00 0.00 O ATOM 219 CB PHE A 19 3.394 -4.803 -0.204 1.00 0.00 C ATOM 220 CG PHE A 19 3.333 -3.471 0.547 1.00 0.00 C ATOM 221 CD1 PHE A 19 2.443 -2.516 0.166 1.00 0.00 C ATOM 222 CD2 PHE A 19 4.169 -3.243 1.595 1.00 0.00 C ATOM 223 CE1 PHE A 19 2.387 -1.280 0.863 1.00 0.00 C ATOM 224 CE2 PHE A 19 4.113 -2.007 2.291 1.00 0.00 C ATOM 225 CZ PHE A 19 3.223 -1.052 1.911 1.00 0.00 C ATOM 0 H PHE A 19 5.863 -4.329 -0.582 1.00 0.00 H new ATOM 0 HA PHE A 19 3.701 -5.487 -2.257 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.381 -5.186 -0.327 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.936 -5.527 0.404 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.779 -2.697 -0.666 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.875 -4.002 1.898 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.680 -0.521 0.561 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.778 -1.825 3.123 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.180 -0.112 2.442 1.00 0.00 H new ATOM 235 N ARG A 20 2.588 -3.298 -2.860 1.00 0.00 N ATOM 236 CA ARG A 20 2.153 -2.069 -3.502 1.00 0.00 C ATOM 237 C ARG A 20 0.788 -1.641 -2.959 1.00 0.00 C ATOM 238 O ARG A 20 0.171 -2.367 -2.181 1.00 0.00 O ATOM 239 CB ARG A 20 2.058 -2.245 -5.019 1.00 0.00 C ATOM 240 CG ARG A 20 3.419 -2.027 -5.683 1.00 0.00 C ATOM 241 CD ARG A 20 3.398 -0.791 -6.585 1.00 0.00 C ATOM 242 NE ARG A 20 4.730 -0.588 -7.197 1.00 0.00 N ATOM 243 CZ ARG A 20 4.947 0.143 -8.299 1.00 0.00 C ATOM 244 NH1 ARG A 20 3.922 0.745 -8.916 1.00 0.00 N ATOM 245 NH2 ARG A 20 6.190 0.272 -8.783 1.00 0.00 N ATOM 0 H ARG A 20 1.946 -4.084 -2.963 1.00 0.00 H new ATOM 0 HA ARG A 20 2.893 -1.299 -3.282 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.693 -3.246 -5.250 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.334 -1.539 -5.426 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.186 -1.910 -4.918 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.686 -2.906 -6.270 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.645 -0.912 -7.364 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.118 0.088 -6.005 1.00 0.00 H new ATOM 0 HE ARG A 20 5.533 -1.032 -6.752 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.976 0.647 -8.547 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.087 1.301 -9.755 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.971 -0.186 -8.313 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.356 0.828 -9.622 1.00 0.00 H new ATOM 259 N LEU A 21 0.357 -0.465 -3.391 1.00 0.00 N ATOM 260 CA LEU A 21 -0.923 0.068 -2.957 1.00 0.00 C ATOM 261 C LEU A 21 -1.798 0.343 -4.182 1.00 0.00 C ATOM 262 O LEU A 21 -1.292 0.719 -5.238 1.00 0.00 O ATOM 263 CB LEU A 21 -0.719 1.291 -2.061 1.00 0.00 C ATOM 264 CG LEU A 21 -0.179 1.011 -0.657 1.00 0.00 C ATOM 265 CD1 LEU A 21 -0.337 2.236 0.246 1.00 0.00 C ATOM 266 CD2 LEU A 21 -0.837 -0.233 -0.055 1.00 0.00 C ATOM 0 H LEU A 21 0.871 0.134 -4.037 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.451 -0.663 -2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.034 1.974 -2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.673 1.810 -1.965 1.00 0.00 H new ATOM 0 HG LEU A 21 0.888 0.805 -0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.055 2.010 1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.214 3.075 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.392 2.497 0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.436 -0.410 0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.914 -0.080 0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.630 -1.096 -0.688 1.00 0.00 H new ATOM 278 N GLN A 22 -3.095 0.143 -4.000 1.00 0.00 N ATOM 279 CA GLN A 22 -4.044 0.365 -5.078 1.00 0.00 C ATOM 280 C GLN A 22 -5.369 0.889 -4.519 1.00 0.00 C ATOM 281 O GLN A 22 -5.857 0.395 -3.504 1.00 0.00 O ATOM 282 CB GLN A 22 -4.260 -0.913 -5.890 1.00 0.00 C ATOM 283 CG GLN A 22 -4.852 -2.023 -5.019 1.00 0.00 C ATOM 284 CD GLN A 22 -5.399 -3.163 -5.881 1.00 0.00 C ATOM 285 OE1 GLN A 22 -5.746 -2.990 -7.038 1.00 0.00 O ATOM 286 NE2 GLN A 22 -5.458 -4.335 -5.254 1.00 0.00 N ATOM 0 H GLN A 22 -3.511 -0.170 -3.123 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.631 1.118 -5.750 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.927 -0.708 -6.727 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.311 -1.244 -6.312 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.087 -2.407 -4.344 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.650 -1.616 -4.398 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.151 -4.411 -4.284 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.810 -5.158 -5.743 1.00 0.00 H new ATOM 295 N GLY A 23 -5.912 1.883 -5.206 1.00 0.00 N ATOM 296 CA GLY A 23 -7.170 2.480 -4.791 1.00 0.00 C ATOM 297 C GLY A 23 -6.945 3.866 -4.183 1.00 0.00 C ATOM 298 O GLY A 23 -5.925 4.503 -4.441 1.00 0.00 O ATOM 0 H GLY A 23 -5.504 2.290 -6.047 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.839 2.559 -5.648 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.660 1.834 -4.062 1.00 0.00 H new ATOM 302 N GLY A 24 -7.915 4.293 -3.388 1.00 0.00 N ATOM 303 CA GLY A 24 -7.836 5.592 -2.742 1.00 0.00 C ATOM 304 C GLY A 24 -9.069 6.439 -3.061 1.00 0.00 C ATOM 305 O GLY A 24 -9.916 6.035 -3.857 1.00 0.00 O ATOM 0 H GLY A 24 -8.760 3.762 -3.177 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.750 5.461 -1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.937 6.113 -3.073 1.00 0.00 H new ATOM 309 N LYS A 25 -9.131 7.600 -2.425 1.00 0.00 N ATOM 310 CA LYS A 25 -10.247 8.508 -2.632 1.00 0.00 C ATOM 311 C LYS A 25 -10.278 8.945 -4.097 1.00 0.00 C ATOM 312 O LYS A 25 -11.340 8.972 -4.718 1.00 0.00 O ATOM 313 CB LYS A 25 -10.179 9.674 -1.643 1.00 0.00 C ATOM 314 CG LYS A 25 -11.314 9.594 -0.622 1.00 0.00 C ATOM 315 CD LYS A 25 -11.004 10.445 0.612 1.00 0.00 C ATOM 316 CE LYS A 25 -11.380 11.909 0.377 1.00 0.00 C ATOM 317 NZ LYS A 25 -12.143 12.439 1.529 1.00 0.00 N ATOM 0 H LYS A 25 -8.427 7.933 -1.766 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.192 8.003 -2.430 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.219 9.662 -1.127 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.238 10.618 -2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.243 9.935 -1.079 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.467 8.557 -0.324 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.552 10.059 1.472 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.943 10.372 0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.478 12.503 0.226 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.975 11.997 -0.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.390 13.434 1.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.013 11.883 1.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.563 12.373 2.390 1.00 0.00 H new ATOM 331 N ASP A 26 -9.101 9.276 -4.608 1.00 0.00 N ATOM 332 CA ASP A 26 -8.981 9.711 -5.989 1.00 0.00 C ATOM 333 C ASP A 26 -9.385 8.564 -6.918 1.00 0.00 C ATOM 334 O ASP A 26 -9.767 8.794 -8.064 1.00 0.00 O ATOM 335 CB ASP A 26 -7.539 10.101 -6.320 1.00 0.00 C ATOM 336 CG ASP A 26 -7.198 10.114 -7.812 1.00 0.00 C ATOM 337 OD1 ASP A 26 -7.543 11.123 -8.464 1.00 0.00 O ATOM 338 OD2 ASP A 26 -6.601 9.114 -8.266 1.00 0.00 O ATOM 0 H ASP A 26 -8.222 9.252 -4.090 1.00 0.00 H new ATOM 0 HA ASP A 26 -9.630 10.576 -6.127 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.343 11.092 -5.909 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.866 9.408 -5.815 1.00 0.00 H new ATOM 343 N PHE A 27 -9.288 7.354 -6.388 1.00 0.00 N ATOM 344 CA PHE A 27 -9.639 6.170 -7.154 1.00 0.00 C ATOM 345 C PHE A 27 -11.100 5.781 -6.923 1.00 0.00 C ATOM 346 O PHE A 27 -11.690 5.063 -7.729 1.00 0.00 O ATOM 347 CB PHE A 27 -8.737 5.036 -6.664 1.00 0.00 C ATOM 348 CG PHE A 27 -7.311 5.093 -7.215 1.00 0.00 C ATOM 349 CD1 PHE A 27 -6.516 6.161 -6.935 1.00 0.00 C ATOM 350 CD2 PHE A 27 -6.837 4.076 -7.983 1.00 0.00 C ATOM 351 CE1 PHE A 27 -5.192 6.214 -7.446 1.00 0.00 C ATOM 352 CE2 PHE A 27 -5.513 4.129 -8.494 1.00 0.00 C ATOM 353 CZ PHE A 27 -4.719 5.197 -8.215 1.00 0.00 C ATOM 0 H PHE A 27 -8.971 7.168 -5.437 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.507 6.363 -8.219 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.696 5.063 -5.575 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.185 4.082 -6.943 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.892 6.968 -6.324 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.468 3.228 -8.204 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.561 7.062 -7.224 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.137 3.321 -9.104 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.712 5.238 -8.604 1.00 0.00 H new ATOM 363 N ASN A 28 -11.642 6.271 -5.817 1.00 0.00 N ATOM 364 CA ASN A 28 -13.023 5.982 -5.469 1.00 0.00 C ATOM 365 C ASN A 28 -13.104 4.596 -4.828 1.00 0.00 C ATOM 366 O ASN A 28 -14.097 3.888 -4.994 1.00 0.00 O ATOM 367 CB ASN A 28 -13.915 5.982 -6.712 1.00 0.00 C ATOM 368 CG ASN A 28 -15.331 6.452 -6.371 1.00 0.00 C ATOM 369 OD1 ASN A 28 -15.659 6.740 -5.232 1.00 0.00 O ATOM 370 ND2 ASN A 28 -16.147 6.515 -7.419 1.00 0.00 N ATOM 0 H ASN A 28 -11.150 6.866 -5.151 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.366 6.753 -4.779 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -13.485 6.634 -7.473 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -13.953 4.979 -7.136 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -17.113 6.819 -7.296 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -15.807 6.259 -8.346 1.00 0.00 H new ATOM 377 N MET A 29 -12.047 4.248 -4.109 1.00 0.00 N ATOM 378 CA MET A 29 -11.986 2.959 -3.443 1.00 0.00 C ATOM 379 C MET A 29 -11.018 2.999 -2.258 1.00 0.00 C ATOM 380 O MET A 29 -10.212 3.920 -2.142 1.00 0.00 O ATOM 381 CB MET A 29 -11.531 1.890 -4.438 1.00 0.00 C ATOM 382 CG MET A 29 -10.005 1.774 -4.460 1.00 0.00 C ATOM 383 SD MET A 29 -9.501 0.576 -5.682 1.00 0.00 S ATOM 384 CE MET A 29 -8.955 -0.746 -4.614 1.00 0.00 C ATOM 0 H MET A 29 -11.226 4.837 -3.973 1.00 0.00 H new ATOM 0 HA MET A 29 -12.981 2.718 -3.068 1.00 0.00 H new ATOM 0 HB2 MET A 29 -11.968 0.928 -4.169 1.00 0.00 H new ATOM 0 HB3 MET A 29 -11.895 2.138 -5.435 1.00 0.00 H new ATOM 0 HG2 MET A 29 -9.562 2.744 -4.685 1.00 0.00 H new ATOM 0 HG3 MET A 29 -9.640 1.478 -3.476 1.00 0.00 H new ATOM 0 HE1 MET A 29 -9.255 -1.704 -5.039 1.00 0.00 H new ATOM 0 HE2 MET A 29 -7.869 -0.714 -4.521 1.00 0.00 H new ATOM 0 HE3 MET A 29 -9.407 -0.628 -3.629 1.00 0.00 H new ATOM 394 N PRO A 30 -11.132 1.961 -1.387 1.00 0.00 N ATOM 395 CA PRO A 30 -10.276 1.869 -0.216 1.00 0.00 C ATOM 396 C PRO A 30 -8.862 1.433 -0.604 1.00 0.00 C ATOM 397 O PRO A 30 -8.663 0.814 -1.648 1.00 0.00 O ATOM 398 CB PRO A 30 -10.973 0.878 0.703 1.00 0.00 C ATOM 399 CG PRO A 30 -11.942 0.104 -0.176 1.00 0.00 C ATOM 400 CD PRO A 30 -12.075 0.851 -1.493 1.00 0.00 C ATOM 0 HA PRO A 30 -10.141 2.828 0.284 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.253 0.209 1.174 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.500 1.394 1.505 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.577 -0.909 -0.347 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.913 0.015 0.312 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.835 0.207 -2.339 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.093 1.210 -1.644 1.00 0.00 H new ATOM 408 N LEU A 31 -7.915 1.773 0.259 1.00 0.00 N ATOM 409 CA LEU A 31 -6.525 1.425 0.020 1.00 0.00 C ATOM 410 C LEU A 31 -6.322 -0.065 0.300 1.00 0.00 C ATOM 411 O LEU A 31 -6.477 -0.514 1.435 1.00 0.00 O ATOM 412 CB LEU A 31 -5.598 2.335 0.828 1.00 0.00 C ATOM 413 CG LEU A 31 -5.464 3.774 0.324 1.00 0.00 C ATOM 414 CD1 LEU A 31 -5.635 4.774 1.469 1.00 0.00 C ATOM 415 CD2 LEU A 31 -4.141 3.973 -0.419 1.00 0.00 C ATOM 0 H LEU A 31 -8.084 2.286 1.124 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.265 1.592 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.956 2.363 1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.606 1.884 0.848 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.266 3.963 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.535 5.789 1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.622 4.651 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.870 4.596 2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.071 5.004 -0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.310 3.759 0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.099 3.298 -1.274 1.00 0.00 H new ATOM 427 N THR A 32 -5.977 -0.791 -0.753 1.00 0.00 N ATOM 428 CA THR A 32 -5.751 -2.222 -0.634 1.00 0.00 C ATOM 429 C THR A 32 -4.351 -2.584 -1.133 1.00 0.00 C ATOM 430 O THR A 32 -3.661 -1.749 -1.717 1.00 0.00 O ATOM 431 CB THR A 32 -6.870 -2.942 -1.389 1.00 0.00 C ATOM 432 OG1 THR A 32 -7.246 -2.023 -2.411 1.00 0.00 O ATOM 433 CG2 THR A 32 -8.137 -3.100 -0.546 1.00 0.00 C ATOM 0 H THR A 32 -5.848 -0.416 -1.693 1.00 0.00 H new ATOM 0 HA THR A 32 -5.784 -2.542 0.407 1.00 0.00 H new ATOM 0 HB THR A 32 -6.520 -3.924 -1.707 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.416 -2.511 -3.244 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.900 -3.617 -1.129 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.909 -3.679 0.349 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.506 -2.116 -0.257 1.00 0.00 H new ATOM 441 N ILE A 33 -3.972 -3.829 -0.885 1.00 0.00 N ATOM 442 CA ILE A 33 -2.667 -4.311 -1.302 1.00 0.00 C ATOM 443 C ILE A 33 -2.701 -4.636 -2.797 1.00 0.00 C ATOM 444 O ILE A 33 -3.199 -5.687 -3.196 1.00 0.00 O ATOM 445 CB ILE A 33 -2.226 -5.487 -0.428 1.00 0.00 C ATOM 446 CG1 ILE A 33 -2.150 -5.077 1.044 1.00 0.00 C ATOM 447 CG2 ILE A 33 -0.905 -6.076 -0.927 1.00 0.00 C ATOM 448 CD1 ILE A 33 -0.948 -4.166 1.299 1.00 0.00 C ATOM 0 H ILE A 33 -4.546 -4.519 -0.400 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.913 -3.537 -1.161 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.979 -6.272 -0.506 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.068 -4.563 1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.076 -5.967 1.669 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.614 -6.910 -0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.028 -6.429 -1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.131 -5.309 -0.898 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.918 -3.890 2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.030 -4.692 1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.038 -3.266 0.690 1.00 0.00 H new ATOM 460 N SER A 34 -2.166 -3.713 -3.583 1.00 0.00 N ATOM 461 CA SER A 34 -2.129 -3.888 -5.025 1.00 0.00 C ATOM 462 C SER A 34 -1.485 -5.231 -5.373 1.00 0.00 C ATOM 463 O SER A 34 -2.151 -6.129 -5.886 1.00 0.00 O ATOM 464 CB SER A 34 -1.369 -2.744 -5.699 1.00 0.00 C ATOM 465 OG SER A 34 -1.589 -2.713 -7.106 1.00 0.00 O ATOM 0 H SER A 34 -1.755 -2.842 -3.248 1.00 0.00 H new ATOM 0 HA SER A 34 -3.153 -3.877 -5.397 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.680 -1.795 -5.262 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.302 -2.851 -5.501 1.00 0.00 H new ATOM 0 HG SER A 34 -1.088 -1.968 -7.499 1.00 0.00 H new ATOM 471 N SER A 35 -0.196 -5.327 -5.080 1.00 0.00 N ATOM 472 CA SER A 35 0.545 -6.545 -5.356 1.00 0.00 C ATOM 473 C SER A 35 1.597 -6.775 -4.269 1.00 0.00 C ATOM 474 O SER A 35 1.746 -5.958 -3.362 1.00 0.00 O ATOM 475 CB SER A 35 1.209 -6.486 -6.733 1.00 0.00 C ATOM 476 OG SER A 35 0.584 -7.365 -7.665 1.00 0.00 O ATOM 0 H SER A 35 0.354 -4.581 -4.654 1.00 0.00 H new ATOM 0 HA SER A 35 -0.156 -7.379 -5.356 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.166 -5.465 -7.113 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.263 -6.747 -6.639 1.00 0.00 H new ATOM 0 HG SER A 35 1.035 -7.297 -8.532 1.00 0.00 H new ATOM 482 N LEU A 36 2.300 -7.891 -4.397 1.00 0.00 N ATOM 483 CA LEU A 36 3.334 -8.238 -3.437 1.00 0.00 C ATOM 484 C LEU A 36 4.442 -9.018 -4.148 1.00 0.00 C ATOM 485 O LEU A 36 4.230 -9.555 -5.234 1.00 0.00 O ATOM 486 CB LEU A 36 2.729 -8.979 -2.243 1.00 0.00 C ATOM 487 CG LEU A 36 2.892 -8.301 -0.881 1.00 0.00 C ATOM 488 CD1 LEU A 36 1.858 -8.823 0.118 1.00 0.00 C ATOM 489 CD2 LEU A 36 4.322 -8.454 -0.359 1.00 0.00 C ATOM 0 H LEU A 36 2.174 -8.566 -5.151 1.00 0.00 H new ATOM 0 HA LEU A 36 3.791 -7.338 -3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.665 -9.122 -2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.179 -9.970 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 36 2.708 -7.234 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.996 -8.325 1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.855 -8.618 -0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.986 -9.898 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.410 -7.963 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.559 -9.513 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.017 -7.996 -1.062 1.00 0.00 H new ATOM 501 N LYS A 37 5.601 -9.056 -3.505 1.00 0.00 N ATOM 502 CA LYS A 37 6.742 -9.761 -4.062 1.00 0.00 C ATOM 503 C LYS A 37 6.805 -11.170 -3.468 1.00 0.00 C ATOM 504 O LYS A 37 6.232 -11.428 -2.411 1.00 0.00 O ATOM 505 CB LYS A 37 8.024 -8.951 -3.859 1.00 0.00 C ATOM 506 CG LYS A 37 9.254 -9.752 -4.291 1.00 0.00 C ATOM 507 CD LYS A 37 10.532 -8.930 -4.118 1.00 0.00 C ATOM 508 CE LYS A 37 11.650 -9.776 -3.505 1.00 0.00 C ATOM 509 NZ LYS A 37 12.776 -9.914 -4.456 1.00 0.00 N ATOM 0 H LYS A 37 5.773 -8.610 -2.604 1.00 0.00 H new ATOM 0 HA LYS A 37 6.631 -9.873 -5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.968 -8.026 -4.433 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.119 -8.670 -2.810 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.323 -10.666 -3.701 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.149 -10.052 -5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.853 -8.542 -5.085 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.331 -8.069 -3.480 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.000 -9.313 -2.582 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.266 -10.761 -3.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.526 -10.491 -4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.441 -10.376 -5.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.153 -8.973 -4.687 1.00 0.00 H new ATOM 523 N ASP A 38 7.507 -12.044 -4.174 1.00 0.00 N ATOM 524 CA ASP A 38 7.652 -13.420 -3.730 1.00 0.00 C ATOM 525 C ASP A 38 8.215 -13.435 -2.307 1.00 0.00 C ATOM 526 O ASP A 38 9.312 -12.936 -2.064 1.00 0.00 O ATOM 527 CB ASP A 38 8.622 -14.190 -4.629 1.00 0.00 C ATOM 528 CG ASP A 38 7.960 -15.024 -5.728 1.00 0.00 C ATOM 529 OD1 ASP A 38 6.710 -15.051 -5.746 1.00 0.00 O ATOM 530 OD2 ASP A 38 8.719 -15.617 -6.525 1.00 0.00 O ATOM 0 H ASP A 38 7.982 -11.826 -5.050 1.00 0.00 H new ATOM 0 HA ASP A 38 6.670 -13.892 -3.770 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.305 -13.479 -5.094 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.225 -14.850 -4.006 1.00 0.00 H new ATOM 535 N GLY A 39 7.437 -14.013 -1.404 1.00 0.00 N ATOM 536 CA GLY A 39 7.843 -14.100 -0.011 1.00 0.00 C ATOM 537 C GLY A 39 8.515 -12.804 0.446 1.00 0.00 C ATOM 538 O GLY A 39 9.630 -12.827 0.965 1.00 0.00 O ATOM 0 H GLY A 39 6.527 -14.426 -1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.973 -14.302 0.613 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.530 -14.936 0.120 1.00 0.00 H new ATOM 542 N GLY A 40 7.808 -11.703 0.235 1.00 0.00 N ATOM 543 CA GLY A 40 8.322 -10.399 0.619 1.00 0.00 C ATOM 544 C GLY A 40 7.928 -10.056 2.057 1.00 0.00 C ATOM 545 O GLY A 40 7.187 -10.801 2.696 1.00 0.00 O ATOM 0 H GLY A 40 6.884 -11.687 -0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.408 -10.390 0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.936 -9.638 -0.059 1.00 0.00 H new ATOM 549 N LYS A 41 8.440 -8.926 2.524 1.00 0.00 N ATOM 550 CA LYS A 41 8.151 -8.475 3.874 1.00 0.00 C ATOM 551 C LYS A 41 6.654 -8.634 4.151 1.00 0.00 C ATOM 552 O LYS A 41 6.259 -9.410 5.018 1.00 0.00 O ATOM 553 CB LYS A 41 8.668 -7.051 4.086 1.00 0.00 C ATOM 554 CG LYS A 41 10.186 -7.041 4.278 1.00 0.00 C ATOM 555 CD LYS A 41 10.893 -6.515 3.027 1.00 0.00 C ATOM 556 CE LYS A 41 11.826 -7.576 2.438 1.00 0.00 C ATOM 557 NZ LYS A 41 11.799 -7.525 0.959 1.00 0.00 N ATOM 0 H LYS A 41 9.053 -8.310 1.991 1.00 0.00 H new ATOM 0 HA LYS A 41 8.678 -9.092 4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.402 -6.433 3.229 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.185 -6.611 4.958 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.444 -6.418 5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.535 -8.049 4.500 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.153 -6.223 2.282 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.464 -5.621 3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.843 -7.413 2.795 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.523 -8.566 2.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.437 -8.251 0.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.831 -7.702 0.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.110 -6.586 0.638 1.00 0.00 H new ATOM 571 N ALA A 42 5.863 -7.885 3.396 1.00 0.00 N ATOM 572 CA ALA A 42 4.419 -7.932 3.549 1.00 0.00 C ATOM 573 C ALA A 42 3.969 -9.391 3.646 1.00 0.00 C ATOM 574 O ALA A 42 3.170 -9.741 4.514 1.00 0.00 O ATOM 575 CB ALA A 42 3.758 -7.194 2.383 1.00 0.00 C ATOM 0 H ALA A 42 6.195 -7.242 2.677 1.00 0.00 H new ATOM 0 HA ALA A 42 4.113 -7.431 4.467 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.675 -7.229 2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.089 -6.155 2.375 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.039 -7.671 1.444 1.00 0.00 H new ATOM 581 N SER A 43 4.500 -10.203 2.744 1.00 0.00 N ATOM 582 CA SER A 43 4.163 -11.616 2.717 1.00 0.00 C ATOM 583 C SER A 43 4.615 -12.286 4.016 1.00 0.00 C ATOM 584 O SER A 43 3.900 -13.119 4.571 1.00 0.00 O ATOM 585 CB SER A 43 4.798 -12.311 1.512 1.00 0.00 C ATOM 586 OG SER A 43 4.316 -13.642 1.348 1.00 0.00 O ATOM 0 H SER A 43 5.162 -9.909 2.026 1.00 0.00 H new ATOM 0 HA SER A 43 3.081 -11.708 2.626 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.589 -11.736 0.610 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.881 -12.330 1.634 1.00 0.00 H new ATOM 0 HG SER A 43 4.744 -14.051 0.567 1.00 0.00 H new ATOM 592 N GLN A 44 5.801 -11.899 4.463 1.00 0.00 N ATOM 593 CA GLN A 44 6.358 -12.452 5.686 1.00 0.00 C ATOM 594 C GLN A 44 5.487 -12.072 6.885 1.00 0.00 C ATOM 595 O GLN A 44 5.521 -12.739 7.918 1.00 0.00 O ATOM 596 CB GLN A 44 7.802 -11.990 5.889 1.00 0.00 C ATOM 597 CG GLN A 44 8.748 -12.710 4.926 1.00 0.00 C ATOM 598 CD GLN A 44 10.208 -12.513 5.341 1.00 0.00 C ATOM 599 OE1 GLN A 44 10.669 -13.030 6.345 1.00 0.00 O ATOM 600 NE2 GLN A 44 10.905 -11.738 4.515 1.00 0.00 N ATOM 0 H GLN A 44 6.392 -11.209 4.000 1.00 0.00 H new ATOM 0 HA GLN A 44 6.368 -13.538 5.599 1.00 0.00 H new ATOM 0 HB2 GLN A 44 7.869 -10.913 5.733 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.108 -12.183 6.917 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.512 -13.774 4.907 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.600 -12.332 3.914 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.456 -11.337 3.692 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.888 -11.545 4.705 1.00 0.00 H new ATOM 609 N ALA A 45 4.726 -11.001 6.707 1.00 0.00 N ATOM 610 CA ALA A 45 3.848 -10.524 7.762 1.00 0.00 C ATOM 611 C ALA A 45 2.454 -11.124 7.569 1.00 0.00 C ATOM 612 O ALA A 45 1.499 -10.710 8.225 1.00 0.00 O ATOM 613 CB ALA A 45 3.830 -8.994 7.758 1.00 0.00 C ATOM 0 H ALA A 45 4.700 -10.451 5.848 1.00 0.00 H new ATOM 0 HA ALA A 45 4.212 -10.843 8.739 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.171 -8.636 8.549 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.839 -8.618 7.928 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.467 -8.637 6.794 1.00 0.00 H new ATOM 619 N HIS A 46 2.380 -12.092 6.666 1.00 0.00 N ATOM 620 CA HIS A 46 1.119 -12.753 6.379 1.00 0.00 C ATOM 621 C HIS A 46 0.118 -11.733 5.831 1.00 0.00 C ATOM 622 O HIS A 46 -1.004 -11.633 6.324 1.00 0.00 O ATOM 623 CB HIS A 46 0.598 -13.490 7.614 1.00 0.00 C ATOM 624 CG HIS A 46 1.282 -14.811 7.875 1.00 0.00 C ATOM 625 ND1 HIS A 46 0.593 -15.951 8.250 1.00 0.00 N ATOM 626 CD2 HIS A 46 2.599 -15.161 7.809 1.00 0.00 C ATOM 627 CE1 HIS A 46 1.466 -16.936 8.402 1.00 0.00 C ATOM 628 NE2 HIS A 46 2.708 -16.445 8.129 1.00 0.00 N ATOM 0 H HIS A 46 3.174 -12.434 6.124 1.00 0.00 H new ATOM 0 HA HIS A 46 1.269 -13.512 5.611 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.723 -12.849 8.487 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.472 -13.663 7.497 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.414 -14.505 7.542 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.234 -17.950 8.692 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.578 -16.976 8.165 1.00 0.00 H new ATOM 636 N VAL A 47 0.561 -11.002 4.819 1.00 0.00 N ATOM 637 CA VAL A 47 -0.282 -9.994 4.199 1.00 0.00 C ATOM 638 C VAL A 47 -0.763 -10.504 2.839 1.00 0.00 C ATOM 639 O VAL A 47 0.044 -10.757 1.946 1.00 0.00 O ATOM 640 CB VAL A 47 0.473 -8.666 4.106 1.00 0.00 C ATOM 641 CG1 VAL A 47 -0.339 -7.628 3.329 1.00 0.00 C ATOM 642 CG2 VAL A 47 0.840 -8.146 5.497 1.00 0.00 C ATOM 0 H VAL A 47 1.493 -11.088 4.413 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.167 -9.808 4.808 1.00 0.00 H new ATOM 0 HB VAL A 47 1.399 -8.844 3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.220 -6.693 3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.527 -7.994 2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.289 -7.455 3.835 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.376 -7.201 5.403 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.069 -7.991 6.079 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.475 -8.874 6.002 1.00 0.00 H new ATOM 652 N ARG A 48 -2.076 -10.640 2.725 1.00 0.00 N ATOM 653 CA ARG A 48 -2.675 -11.115 1.489 1.00 0.00 C ATOM 654 C ARG A 48 -3.271 -9.945 0.704 1.00 0.00 C ATOM 655 O ARG A 48 -3.573 -8.899 1.276 1.00 0.00 O ATOM 656 CB ARG A 48 -3.772 -12.144 1.769 1.00 0.00 C ATOM 657 CG ARG A 48 -3.194 -13.560 1.821 1.00 0.00 C ATOM 658 CD ARG A 48 -3.596 -14.269 3.116 1.00 0.00 C ATOM 659 NE ARG A 48 -3.134 -13.487 4.285 1.00 0.00 N ATOM 660 CZ ARG A 48 -3.674 -13.575 5.508 1.00 0.00 C ATOM 661 NH1 ARG A 48 -4.697 -14.411 5.731 1.00 0.00 N ATOM 662 NH2 ARG A 48 -3.190 -12.828 6.510 1.00 0.00 N ATOM 0 H ARG A 48 -2.742 -10.430 3.468 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.889 -11.589 0.900 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.261 -11.912 2.715 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.536 -12.087 0.993 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.548 -14.133 0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.107 -13.516 1.748 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.679 -14.390 3.153 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.163 -15.269 3.143 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.356 -12.841 4.151 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.065 -14.981 4.969 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.108 -14.477 6.662 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.410 -12.192 6.342 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.601 -12.895 7.441 1.00 0.00 H new ATOM 676 N ILE A 49 -3.423 -10.161 -0.594 1.00 0.00 N ATOM 677 CA ILE A 49 -3.978 -9.138 -1.464 1.00 0.00 C ATOM 678 C ILE A 49 -5.435 -8.878 -1.073 1.00 0.00 C ATOM 679 O ILE A 49 -6.221 -9.814 -0.939 1.00 0.00 O ATOM 680 CB ILE A 49 -3.795 -9.526 -2.932 1.00 0.00 C ATOM 681 CG1 ILE A 49 -2.361 -9.261 -3.394 1.00 0.00 C ATOM 682 CG2 ILE A 49 -4.822 -8.818 -3.818 1.00 0.00 C ATOM 683 CD1 ILE A 49 -2.295 -9.097 -4.914 1.00 0.00 C ATOM 0 H ILE A 49 -3.171 -11.030 -1.065 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.441 -8.198 -1.338 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.971 -10.597 -3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.980 -8.361 -2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.718 -10.085 -3.085 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.670 -9.111 -4.857 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.828 -9.099 -3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.701 -7.739 -3.724 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.264 -8.910 -5.215 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.654 -10.007 -5.394 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.920 -8.257 -5.217 1.00 0.00 H new ATOM 695 N GLY A 50 -5.750 -7.602 -0.903 1.00 0.00 N ATOM 696 CA GLY A 50 -7.098 -7.208 -0.531 1.00 0.00 C ATOM 697 C GLY A 50 -7.112 -6.536 0.844 1.00 0.00 C ATOM 698 O GLY A 50 -8.087 -5.881 1.208 1.00 0.00 O ATOM 0 H GLY A 50 -5.095 -6.828 -1.016 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.500 -6.524 -1.278 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.747 -8.084 -0.519 1.00 0.00 H new ATOM 702 N ASP A 51 -6.020 -6.723 1.570 1.00 0.00 N ATOM 703 CA ASP A 51 -5.895 -6.144 2.897 1.00 0.00 C ATOM 704 C ASP A 51 -6.052 -4.625 2.802 1.00 0.00 C ATOM 705 O ASP A 51 -5.390 -3.978 1.992 1.00 0.00 O ATOM 706 CB ASP A 51 -4.521 -6.440 3.500 1.00 0.00 C ATOM 707 CG ASP A 51 -4.256 -7.914 3.813 1.00 0.00 C ATOM 708 OD1 ASP A 51 -5.254 -8.660 3.919 1.00 0.00 O ATOM 709 OD2 ASP A 51 -3.063 -8.262 3.940 1.00 0.00 O ATOM 0 H ASP A 51 -5.213 -7.267 1.265 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.668 -6.580 3.530 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.754 -6.087 2.810 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.412 -5.864 4.419 1.00 0.00 H new ATOM 714 N VAL A 52 -6.932 -4.099 3.641 1.00 0.00 N ATOM 715 CA VAL A 52 -7.184 -2.668 3.663 1.00 0.00 C ATOM 716 C VAL A 52 -6.331 -2.021 4.755 1.00 0.00 C ATOM 717 O VAL A 52 -6.303 -2.496 5.889 1.00 0.00 O ATOM 718 CB VAL A 52 -8.681 -2.403 3.837 1.00 0.00 C ATOM 719 CG1 VAL A 52 -8.956 -0.909 4.019 1.00 0.00 C ATOM 720 CG2 VAL A 52 -9.479 -2.968 2.660 1.00 0.00 C ATOM 0 H VAL A 52 -7.480 -4.639 4.311 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.896 -2.215 2.715 1.00 0.00 H new ATOM 0 HB VAL A 52 -9.009 -2.917 4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -10.027 -0.748 4.140 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.432 -0.548 4.904 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.605 -0.365 3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.540 -2.766 2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.146 -2.497 1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -9.320 -4.044 2.596 1.00 0.00 H new ATOM 730 N VAL A 53 -5.657 -0.945 4.375 1.00 0.00 N ATOM 731 CA VAL A 53 -4.806 -0.227 5.308 1.00 0.00 C ATOM 732 C VAL A 53 -5.650 0.782 6.089 1.00 0.00 C ATOM 733 O VAL A 53 -6.073 1.799 5.541 1.00 0.00 O ATOM 734 CB VAL A 53 -3.639 0.421 4.560 1.00 0.00 C ATOM 735 CG1 VAL A 53 -2.653 1.067 5.535 1.00 0.00 C ATOM 736 CG2 VAL A 53 -2.934 -0.595 3.659 1.00 0.00 C ATOM 0 H VAL A 53 -5.683 -0.553 3.434 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.369 -0.914 6.032 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.044 1.208 3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.834 1.520 4.977 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.165 1.835 6.115 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.257 0.307 6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.109 -0.109 3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.548 -1.414 4.266 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.642 -0.987 2.929 1.00 0.00 H new ATOM 746 N LEU A 54 -5.869 0.466 7.357 1.00 0.00 N ATOM 747 CA LEU A 54 -6.655 1.333 8.219 1.00 0.00 C ATOM 748 C LEU A 54 -5.826 2.565 8.588 1.00 0.00 C ATOM 749 O LEU A 54 -6.372 3.650 8.781 1.00 0.00 O ATOM 750 CB LEU A 54 -7.175 0.556 9.430 1.00 0.00 C ATOM 751 CG LEU A 54 -8.145 -0.588 9.126 1.00 0.00 C ATOM 752 CD1 LEU A 54 -8.297 -1.514 10.335 1.00 0.00 C ATOM 753 CD2 LEU A 54 -9.494 -0.050 8.644 1.00 0.00 C ATOM 0 H LEU A 54 -5.516 -0.378 7.808 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.541 1.690 7.694 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.320 0.148 9.969 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.670 1.257 10.102 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.727 -1.183 8.314 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.992 -2.318 10.092 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.327 -1.938 10.593 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.681 -0.946 11.182 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.164 -0.884 8.435 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.931 0.582 9.417 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.349 0.535 7.736 1.00 0.00 H new ATOM 765 N SER A 55 -4.521 2.356 8.676 1.00 0.00 N ATOM 766 CA SER A 55 -3.611 3.435 9.019 1.00 0.00 C ATOM 767 C SER A 55 -2.280 3.251 8.287 1.00 0.00 C ATOM 768 O SER A 55 -1.948 2.144 7.866 1.00 0.00 O ATOM 769 CB SER A 55 -3.381 3.503 10.530 1.00 0.00 C ATOM 770 OG SER A 55 -3.385 2.210 11.129 1.00 0.00 O ATOM 0 H SER A 55 -4.072 1.454 8.516 1.00 0.00 H new ATOM 0 HA SER A 55 -4.063 4.376 8.705 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.428 3.992 10.730 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.157 4.117 10.988 1.00 0.00 H new ATOM 0 HG SER A 55 -2.625 1.691 10.792 1.00 0.00 H new ATOM 776 N ILE A 56 -1.555 4.352 8.159 1.00 0.00 N ATOM 777 CA ILE A 56 -0.267 4.325 7.486 1.00 0.00 C ATOM 778 C ILE A 56 0.757 5.094 8.323 1.00 0.00 C ATOM 779 O ILE A 56 0.728 6.323 8.372 1.00 0.00 O ATOM 780 CB ILE A 56 -0.402 4.842 6.052 1.00 0.00 C ATOM 781 CG1 ILE A 56 -0.910 3.742 5.118 1.00 0.00 C ATOM 782 CG2 ILE A 56 0.915 5.448 5.562 1.00 0.00 C ATOM 783 CD1 ILE A 56 -1.091 4.272 3.694 1.00 0.00 C ATOM 0 H ILE A 56 -1.834 5.268 8.510 1.00 0.00 H new ATOM 0 HA ILE A 56 0.097 3.301 7.399 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.146 5.639 6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.206 2.910 5.113 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.859 3.354 5.489 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.792 5.808 4.540 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.196 6.280 6.208 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.697 4.689 5.588 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.453 3.470 3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.814 5.088 3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.135 4.636 3.317 1.00 0.00 H new ATOM 795 N ASP A 57 1.639 4.338 8.961 1.00 0.00 N ATOM 796 CA ASP A 57 2.670 4.933 9.794 1.00 0.00 C ATOM 797 C ASP A 57 2.022 5.570 11.025 1.00 0.00 C ATOM 798 O ASP A 57 2.459 6.623 11.486 1.00 0.00 O ATOM 799 CB ASP A 57 3.426 6.028 9.037 1.00 0.00 C ATOM 800 CG ASP A 57 4.831 6.325 9.563 1.00 0.00 C ATOM 801 OD1 ASP A 57 5.271 5.576 10.462 1.00 0.00 O ATOM 802 OD2 ASP A 57 5.434 7.295 9.055 1.00 0.00 O ATOM 0 H ASP A 57 1.661 3.319 8.918 1.00 0.00 H new ATOM 0 HA ASP A 57 3.367 4.146 10.081 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.500 5.739 7.989 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.839 6.946 9.074 1.00 0.00 H new ATOM 807 N GLY A 58 0.991 4.903 11.522 1.00 0.00 N ATOM 808 CA GLY A 58 0.278 5.391 12.690 1.00 0.00 C ATOM 809 C GLY A 58 -0.721 6.485 12.307 1.00 0.00 C ATOM 810 O GLY A 58 -1.447 6.994 13.159 1.00 0.00 O ATOM 0 H GLY A 58 0.632 4.029 11.137 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.248 4.566 13.170 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.989 5.782 13.417 1.00 0.00 H new ATOM 814 N ILE A 59 -0.725 6.814 11.023 1.00 0.00 N ATOM 815 CA ILE A 59 -1.623 7.837 10.516 1.00 0.00 C ATOM 816 C ILE A 59 -2.892 7.175 9.976 1.00 0.00 C ATOM 817 O ILE A 59 -2.861 6.023 9.545 1.00 0.00 O ATOM 818 CB ILE A 59 -0.906 8.719 9.491 1.00 0.00 C ATOM 819 CG1 ILE A 59 0.405 9.266 10.060 1.00 0.00 C ATOM 820 CG2 ILE A 59 -1.824 9.836 8.991 1.00 0.00 C ATOM 821 CD1 ILE A 59 0.168 10.569 10.826 1.00 0.00 C ATOM 0 H ILE A 59 -0.121 6.390 10.319 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.930 8.506 11.320 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.651 8.102 8.629 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.855 8.527 10.723 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.113 9.440 9.250 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.290 10.448 8.264 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.705 9.400 8.521 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.132 10.458 9.832 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.115 10.937 11.220 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.259 11.314 10.154 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.521 10.386 11.650 1.00 0.00 H new ATOM 833 N SER A 60 -3.980 7.931 10.018 1.00 0.00 N ATOM 834 CA SER A 60 -5.257 7.432 9.539 1.00 0.00 C ATOM 835 C SER A 60 -5.311 7.513 8.012 1.00 0.00 C ATOM 836 O SER A 60 -5.165 8.591 7.438 1.00 0.00 O ATOM 837 CB SER A 60 -6.420 8.214 10.153 1.00 0.00 C ATOM 838 OG SER A 60 -7.237 7.392 10.982 1.00 0.00 O ATOM 0 H SER A 60 -4.003 8.886 10.377 1.00 0.00 H new ATOM 0 HA SER A 60 -5.353 6.390 9.845 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.028 9.045 10.740 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.028 8.644 9.357 1.00 0.00 H new ATOM 0 HG SER A 60 -8.100 7.240 10.543 1.00 0.00 H new ATOM 844 N ALA A 61 -5.520 6.358 7.397 1.00 0.00 N ATOM 845 CA ALA A 61 -5.595 6.284 5.948 1.00 0.00 C ATOM 846 C ALA A 61 -7.063 6.262 5.518 1.00 0.00 C ATOM 847 O ALA A 61 -7.422 5.581 4.558 1.00 0.00 O ATOM 848 CB ALA A 61 -4.825 5.056 5.458 1.00 0.00 C ATOM 0 H ALA A 61 -5.640 5.466 7.876 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.132 7.161 5.495 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.882 5.001 4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.782 5.135 5.764 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.262 4.156 5.890 1.00 0.00 H new ATOM 854 N GLN A 62 -7.872 7.015 6.249 1.00 0.00 N ATOM 855 CA GLN A 62 -9.293 7.090 5.955 1.00 0.00 C ATOM 856 C GLN A 62 -9.566 8.190 4.926 1.00 0.00 C ATOM 857 O GLN A 62 -10.223 7.950 3.915 1.00 0.00 O ATOM 858 CB GLN A 62 -10.106 7.319 7.231 1.00 0.00 C ATOM 859 CG GLN A 62 -10.669 6.001 7.766 1.00 0.00 C ATOM 860 CD GLN A 62 -10.332 5.822 9.248 1.00 0.00 C ATOM 861 OE1 GLN A 62 -9.988 6.759 9.950 1.00 0.00 O ATOM 862 NE2 GLN A 62 -10.450 4.571 9.682 1.00 0.00 N ATOM 0 H GLN A 62 -7.570 7.578 7.044 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.606 6.136 5.530 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.476 7.784 7.989 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.923 8.011 7.027 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.750 5.982 7.630 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.261 5.168 7.193 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.743 3.834 9.040 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.248 4.348 10.657 1.00 0.00 H new ATOM 871 N GLY A 63 -9.046 9.372 5.221 1.00 0.00 N ATOM 872 CA GLY A 63 -9.225 10.510 4.335 1.00 0.00 C ATOM 873 C GLY A 63 -7.913 10.871 3.635 1.00 0.00 C ATOM 874 O GLY A 63 -7.525 12.038 3.599 1.00 0.00 O ATOM 0 H GLY A 63 -8.501 9.567 6.061 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.987 10.280 3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.585 11.366 4.905 1.00 0.00 H new ATOM 878 N MET A 64 -7.266 9.848 3.096 1.00 0.00 N ATOM 879 CA MET A 64 -6.006 10.043 2.400 1.00 0.00 C ATOM 880 C MET A 64 -6.041 9.400 1.012 1.00 0.00 C ATOM 881 O MET A 64 -6.430 8.242 0.870 1.00 0.00 O ATOM 882 CB MET A 64 -4.869 9.429 3.219 1.00 0.00 C ATOM 883 CG MET A 64 -4.501 10.324 4.404 1.00 0.00 C ATOM 884 SD MET A 64 -2.739 10.275 4.682 1.00 0.00 S ATOM 885 CE MET A 64 -2.513 8.521 4.928 1.00 0.00 C ATOM 0 H MET A 64 -7.591 8.882 3.127 1.00 0.00 H new ATOM 0 HA MET A 64 -5.841 11.114 2.280 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.167 8.445 3.581 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.996 9.284 2.583 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.818 11.348 4.209 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.028 9.992 5.299 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.491 8.328 5.255 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.210 8.167 5.688 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.700 7.995 3.992 1.00 0.00 H new ATOM 895 N THR A 65 -5.630 10.179 0.023 1.00 0.00 N ATOM 896 CA THR A 65 -5.609 9.700 -1.349 1.00 0.00 C ATOM 897 C THR A 65 -4.458 8.714 -1.552 1.00 0.00 C ATOM 898 O THR A 65 -3.615 8.548 -0.672 1.00 0.00 O ATOM 899 CB THR A 65 -5.538 10.917 -2.274 1.00 0.00 C ATOM 900 OG1 THR A 65 -4.709 11.839 -1.571 1.00 0.00 O ATOM 901 CG2 THR A 65 -6.881 11.640 -2.395 1.00 0.00 C ATOM 0 H THR A 65 -5.309 11.139 0.144 1.00 0.00 H new ATOM 0 HA THR A 65 -6.516 9.145 -1.588 1.00 0.00 H new ATOM 0 HB THR A 65 -5.205 10.602 -3.263 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.608 12.657 -2.100 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.775 12.495 -3.062 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.628 10.956 -2.798 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.199 11.985 -1.411 1.00 0.00 H new ATOM 909 N HIS A 66 -4.459 8.084 -2.718 1.00 0.00 N ATOM 910 CA HIS A 66 -3.424 7.119 -3.048 1.00 0.00 C ATOM 911 C HIS A 66 -2.047 7.759 -2.865 1.00 0.00 C ATOM 912 O HIS A 66 -1.196 7.219 -2.161 1.00 0.00 O ATOM 913 CB HIS A 66 -3.635 6.557 -4.456 1.00 0.00 C ATOM 914 CG HIS A 66 -2.921 5.250 -4.709 1.00 0.00 C ATOM 915 ND1 HIS A 66 -2.162 5.018 -5.842 1.00 0.00 N ATOM 916 CD2 HIS A 66 -2.857 4.110 -3.963 1.00 0.00 C ATOM 917 CE1 HIS A 66 -1.669 3.790 -5.772 1.00 0.00 C ATOM 918 NE2 HIS A 66 -2.102 3.229 -4.606 1.00 0.00 N ATOM 0 H HIS A 66 -5.160 8.223 -3.446 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.484 6.270 -2.368 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -4.703 6.414 -4.623 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -3.294 7.293 -5.185 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -2.008 5.680 -6.602 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -3.339 3.951 -3.010 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -1.036 3.317 -6.508 1.00 0.00 H new ATOM 926 N LEU A 67 -1.871 8.902 -3.512 1.00 0.00 N ATOM 927 CA LEU A 67 -0.612 9.622 -3.430 1.00 0.00 C ATOM 928 C LEU A 67 -0.248 9.838 -1.959 1.00 0.00 C ATOM 929 O LEU A 67 0.884 9.580 -1.552 1.00 0.00 O ATOM 930 CB LEU A 67 -0.680 10.916 -4.243 1.00 0.00 C ATOM 931 CG LEU A 67 -0.132 12.169 -3.557 1.00 0.00 C ATOM 932 CD1 LEU A 67 -1.100 12.676 -2.487 1.00 0.00 C ATOM 933 CD2 LEU A 67 1.267 11.917 -2.991 1.00 0.00 C ATOM 0 H LEU A 67 -2.580 9.347 -4.095 1.00 0.00 H new ATOM 0 HA LEU A 67 0.192 9.036 -3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.132 10.766 -5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.720 11.099 -4.512 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.039 12.955 -4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.686 13.567 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.057 12.921 -2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.248 11.902 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.633 12.823 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.224 11.109 -2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.942 11.638 -3.800 1.00 0.00 H new ATOM 945 N GLU A 68 -1.229 10.310 -1.203 1.00 0.00 N ATOM 946 CA GLU A 68 -1.026 10.564 0.213 1.00 0.00 C ATOM 947 C GLU A 68 -0.391 9.345 0.885 1.00 0.00 C ATOM 948 O GLU A 68 0.763 9.396 1.309 1.00 0.00 O ATOM 949 CB GLU A 68 -2.341 10.943 0.896 1.00 0.00 C ATOM 950 CG GLU A 68 -2.630 12.438 0.738 1.00 0.00 C ATOM 951 CD GLU A 68 -2.591 13.149 2.092 1.00 0.00 C ATOM 952 OE1 GLU A 68 -1.471 13.289 2.628 1.00 0.00 O ATOM 953 OE2 GLU A 68 -3.683 13.536 2.561 1.00 0.00 O ATOM 0 H GLU A 68 -2.166 10.523 -1.545 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.344 11.408 0.317 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.158 10.364 0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.292 10.688 1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.897 12.885 0.067 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.609 12.576 0.278 1.00 0.00 H new ATOM 960 N ALA A 69 -1.172 8.277 0.962 1.00 0.00 N ATOM 961 CA ALA A 69 -0.701 7.047 1.575 1.00 0.00 C ATOM 962 C ALA A 69 0.708 6.736 1.066 1.00 0.00 C ATOM 963 O ALA A 69 1.557 6.268 1.823 1.00 0.00 O ATOM 964 CB ALA A 69 -1.690 5.918 1.280 1.00 0.00 C ATOM 0 H ALA A 69 -2.128 8.238 0.610 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.644 7.155 2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.336 4.995 1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.668 6.175 1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.771 5.778 0.202 1.00 0.00 H new ATOM 970 N GLN A 70 0.914 7.008 -0.215 1.00 0.00 N ATOM 971 CA GLN A 70 2.205 6.763 -0.834 1.00 0.00 C ATOM 972 C GLN A 70 3.255 7.723 -0.271 1.00 0.00 C ATOM 973 O GLN A 70 4.406 7.341 -0.070 1.00 0.00 O ATOM 974 CB GLN A 70 2.114 6.881 -2.357 1.00 0.00 C ATOM 975 CG GLN A 70 1.135 5.854 -2.929 1.00 0.00 C ATOM 976 CD GLN A 70 1.852 4.872 -3.858 1.00 0.00 C ATOM 977 OE1 GLN A 70 2.472 3.912 -3.430 1.00 0.00 O ATOM 978 NE2 GLN A 70 1.732 5.164 -5.150 1.00 0.00 N ATOM 0 H GLN A 70 0.208 7.396 -0.841 1.00 0.00 H new ATOM 0 HA GLN A 70 2.511 5.744 -0.599 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.792 7.886 -2.629 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.100 6.732 -2.796 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.658 5.308 -2.115 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.343 6.366 -3.476 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.198 5.983 -5.440 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.174 4.569 -5.851 1.00 0.00 H new ATOM 987 N ASN A 71 2.819 8.952 -0.033 1.00 0.00 N ATOM 988 CA ASN A 71 3.707 9.970 0.502 1.00 0.00 C ATOM 989 C ASN A 71 4.245 9.509 1.858 1.00 0.00 C ATOM 990 O ASN A 71 5.448 9.574 2.107 1.00 0.00 O ATOM 991 CB ASN A 71 2.965 11.292 0.712 1.00 0.00 C ATOM 992 CG ASN A 71 3.448 12.355 -0.277 1.00 0.00 C ATOM 993 OD1 ASN A 71 2.495 13.187 -0.685 1.00 0.00 O flip ATOM 994 ND2 ASN A 71 4.610 12.415 -0.644 1.00 0.00 N flip ATOM 0 H ASN A 71 1.863 9.265 -0.201 1.00 0.00 H new ATOM 0 HA ASN A 71 4.517 10.120 -0.211 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.893 11.135 0.588 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.120 11.642 1.732 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.292 11.744 -0.291 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.900 13.137 -1.304 1.00 0.00 H new ATOM 1001 N LYS A 72 3.328 9.054 2.699 1.00 0.00 N ATOM 1002 CA LYS A 72 3.695 8.583 4.024 1.00 0.00 C ATOM 1003 C LYS A 72 4.692 7.430 3.891 1.00 0.00 C ATOM 1004 O LYS A 72 5.770 7.465 4.484 1.00 0.00 O ATOM 1005 CB LYS A 72 2.446 8.226 4.831 1.00 0.00 C ATOM 1006 CG LYS A 72 1.803 9.479 5.430 1.00 0.00 C ATOM 1007 CD LYS A 72 2.405 9.803 6.799 1.00 0.00 C ATOM 1008 CE LYS A 72 1.710 11.011 7.431 1.00 0.00 C ATOM 1009 NZ LYS A 72 2.494 11.517 8.580 1.00 0.00 N ATOM 0 H LYS A 72 2.331 9.001 2.489 1.00 0.00 H new ATOM 0 HA LYS A 72 4.193 9.373 4.586 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.728 7.716 4.189 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.710 7.532 5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.947 10.324 4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.728 9.329 5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.309 8.939 7.456 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.471 10.006 6.693 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.592 11.800 6.688 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.709 10.731 7.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.884 12.104 9.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.859 10.714 9.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.290 12.089 8.232 1.00 0.00 H new ATOM 1023 N ILE A 73 4.297 6.435 3.111 1.00 0.00 N ATOM 1024 CA ILE A 73 5.142 5.273 2.894 1.00 0.00 C ATOM 1025 C ILE A 73 6.554 5.736 2.529 1.00 0.00 C ATOM 1026 O ILE A 73 7.538 5.200 3.036 1.00 0.00 O ATOM 1027 CB ILE A 73 4.514 4.340 1.856 1.00 0.00 C ATOM 1028 CG1 ILE A 73 3.220 3.721 2.388 1.00 0.00 C ATOM 1029 CG2 ILE A 73 5.514 3.275 1.400 1.00 0.00 C ATOM 1030 CD1 ILE A 73 2.227 3.466 1.252 1.00 0.00 C ATOM 0 H ILE A 73 3.403 6.409 2.621 1.00 0.00 H new ATOM 0 HA ILE A 73 5.224 4.686 3.809 1.00 0.00 H new ATOM 0 HB ILE A 73 4.251 4.931 0.979 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.444 2.784 2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.771 4.386 3.126 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.043 2.625 0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.383 3.759 0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.830 2.681 2.258 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.316 3.026 1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.987 4.409 0.760 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.670 2.782 0.528 1.00 0.00 H new ATOM 1042 N LYS A 74 6.609 6.728 1.652 1.00 0.00 N ATOM 1043 CA LYS A 74 7.884 7.270 1.214 1.00 0.00 C ATOM 1044 C LYS A 74 8.608 7.891 2.410 1.00 0.00 C ATOM 1045 O LYS A 74 9.835 7.847 2.489 1.00 0.00 O ATOM 1046 CB LYS A 74 7.682 8.238 0.046 1.00 0.00 C ATOM 1047 CG LYS A 74 7.545 7.481 -1.276 1.00 0.00 C ATOM 1048 CD LYS A 74 6.334 7.977 -2.069 1.00 0.00 C ATOM 1049 CE LYS A 74 6.725 8.327 -3.506 1.00 0.00 C ATOM 1050 NZ LYS A 74 5.539 8.770 -4.273 1.00 0.00 N ATOM 0 H LYS A 74 5.791 7.170 1.233 1.00 0.00 H new ATOM 0 HA LYS A 74 8.524 6.475 0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.790 8.840 0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.525 8.926 -0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.450 7.611 -1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.443 6.414 -1.079 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.560 7.209 -2.076 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.909 8.854 -1.580 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.478 9.115 -3.502 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.174 7.459 -3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.822 9.004 -5.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.833 8.007 -4.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.128 9.611 -3.821 1.00 0.00 H new ATOM 1064 N ALA A 75 7.817 8.456 3.311 1.00 0.00 N ATOM 1065 CA ALA A 75 8.367 9.085 4.499 1.00 0.00 C ATOM 1066 C ALA A 75 9.108 8.036 5.331 1.00 0.00 C ATOM 1067 O ALA A 75 10.210 8.288 5.817 1.00 0.00 O ATOM 1068 CB ALA A 75 7.243 9.764 5.285 1.00 0.00 C ATOM 0 H ALA A 75 6.800 8.491 3.242 1.00 0.00 H new ATOM 0 HA ALA A 75 9.086 9.857 4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.656 10.236 6.176 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.768 10.521 4.661 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.503 9.019 5.578 1.00 0.00 H new ATOM 1074 N CYS A 76 8.473 6.881 5.470 1.00 0.00 N ATOM 1075 CA CYS A 76 9.058 5.793 6.234 1.00 0.00 C ATOM 1076 C CYS A 76 10.262 5.254 5.459 1.00 0.00 C ATOM 1077 O CYS A 76 10.152 4.939 4.275 1.00 0.00 O ATOM 1078 CB CYS A 76 8.033 4.696 6.531 1.00 0.00 C ATOM 1079 SG CYS A 76 7.202 5.031 8.127 1.00 0.00 S ATOM 0 H CYS A 76 7.559 6.676 5.066 1.00 0.00 H new ATOM 0 HA CYS A 76 9.388 6.163 7.204 1.00 0.00 H new ATOM 0 HB2 CYS A 76 7.295 4.650 5.730 1.00 0.00 H new ATOM 0 HB3 CYS A 76 8.527 3.725 6.566 1.00 0.00 H new ATOM 0 HG CYS A 76 6.612 6.188 8.075 1.00 0.00 H new ATOM 1085 N THR A 77 11.384 5.165 6.158 1.00 0.00 N ATOM 1086 CA THR A 77 12.607 4.670 5.550 1.00 0.00 C ATOM 1087 C THR A 77 13.101 3.422 6.286 1.00 0.00 C ATOM 1088 O THR A 77 13.543 2.461 5.658 1.00 0.00 O ATOM 1089 CB THR A 77 13.625 5.812 5.539 1.00 0.00 C ATOM 1090 OG1 THR A 77 13.691 6.232 6.899 1.00 0.00 O ATOM 1091 CG2 THR A 77 13.114 7.045 4.792 1.00 0.00 C ATOM 0 H THR A 77 11.472 5.427 7.140 1.00 0.00 H new ATOM 0 HA THR A 77 12.438 4.356 4.520 1.00 0.00 H new ATOM 0 HB THR A 77 14.551 5.468 5.079 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.331 6.970 6.983 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.875 7.825 4.814 1.00 0.00 H new ATOM 0 HG22 THR A 77 12.897 6.780 3.757 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.206 7.410 5.271 1.00 0.00 H new ATOM 1099 N GLY A 78 13.011 3.479 7.606 1.00 0.00 N ATOM 1100 CA GLY A 78 13.443 2.365 8.434 1.00 0.00 C ATOM 1101 C GLY A 78 12.453 1.202 8.348 1.00 0.00 C ATOM 1102 O GLY A 78 12.771 0.152 7.791 1.00 0.00 O ATOM 0 H GLY A 78 12.646 4.279 8.123 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.430 2.031 8.115 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.537 2.692 9.470 1.00 0.00 H new ATOM 1106 N SER A 79 11.274 1.427 8.909 1.00 0.00 N ATOM 1107 CA SER A 79 10.236 0.410 8.903 1.00 0.00 C ATOM 1108 C SER A 79 8.881 1.048 8.591 1.00 0.00 C ATOM 1109 O SER A 79 8.719 2.261 8.712 1.00 0.00 O ATOM 1110 CB SER A 79 10.180 -0.328 10.242 1.00 0.00 C ATOM 1111 OG SER A 79 10.408 0.547 11.343 1.00 0.00 O ATOM 0 H SER A 79 11.014 2.299 9.371 1.00 0.00 H new ATOM 0 HA SER A 79 10.475 -0.318 8.128 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.206 -0.804 10.353 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.926 -1.123 10.250 1.00 0.00 H new ATOM 0 HG SER A 79 10.363 0.039 12.180 1.00 0.00 H new ATOM 1117 N LEU A 80 7.941 0.201 8.197 1.00 0.00 N ATOM 1118 CA LEU A 80 6.604 0.667 7.868 1.00 0.00 C ATOM 1119 C LEU A 80 5.610 0.117 8.892 1.00 0.00 C ATOM 1120 O LEU A 80 5.457 -1.096 9.024 1.00 0.00 O ATOM 1121 CB LEU A 80 6.255 0.314 6.421 1.00 0.00 C ATOM 1122 CG LEU A 80 5.306 1.277 5.706 1.00 0.00 C ATOM 1123 CD1 LEU A 80 5.955 2.650 5.519 1.00 0.00 C ATOM 1124 CD2 LEU A 80 4.823 0.687 4.379 1.00 0.00 C ATOM 0 H LEU A 80 8.079 -0.805 8.098 1.00 0.00 H new ATOM 0 HA LEU A 80 6.554 1.754 7.928 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.181 0.256 5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.809 -0.681 6.408 1.00 0.00 H new ATOM 0 HG LEU A 80 4.427 1.419 6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.259 3.315 5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.208 3.069 6.493 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.861 2.546 4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.150 1.392 3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.680 0.496 3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.295 -0.248 4.567 1.00 0.00 H new ATOM 1136 N ASN A 81 4.960 1.036 9.592 1.00 0.00 N ATOM 1137 CA ASN A 81 3.985 0.657 10.600 1.00 0.00 C ATOM 1138 C ASN A 81 2.583 1.025 10.111 1.00 0.00 C ATOM 1139 O ASN A 81 2.208 2.196 10.114 1.00 0.00 O ATOM 1140 CB ASN A 81 4.236 1.399 11.915 1.00 0.00 C ATOM 1141 CG ASN A 81 4.978 0.508 12.914 1.00 0.00 C ATOM 1142 OD1 ASN A 81 4.423 0.031 13.890 1.00 0.00 O ATOM 1143 ND2 ASN A 81 6.259 0.311 12.616 1.00 0.00 N ATOM 0 H ASN A 81 5.090 2.042 9.481 1.00 0.00 H new ATOM 0 HA ASN A 81 4.074 -0.416 10.768 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.819 2.300 11.723 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.286 1.719 12.343 1.00 0.00 H new ATOM 0 HD21 ASN A 81 6.840 -0.270 13.221 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.661 0.741 11.783 1.00 0.00 H new ATOM 1150 N MET A 82 1.847 0.002 9.701 1.00 0.00 N ATOM 1151 CA MET A 82 0.494 0.203 9.210 1.00 0.00 C ATOM 1152 C MET A 82 -0.465 -0.828 9.807 1.00 0.00 C ATOM 1153 O MET A 82 -0.036 -1.881 10.277 1.00 0.00 O ATOM 1154 CB MET A 82 0.483 0.088 7.684 1.00 0.00 C ATOM 1155 CG MET A 82 1.667 0.837 7.069 1.00 0.00 C ATOM 1156 SD MET A 82 1.471 0.939 5.298 1.00 0.00 S ATOM 1157 CE MET A 82 1.725 -0.772 4.858 1.00 0.00 C ATOM 0 H MET A 82 2.162 -0.968 9.699 1.00 0.00 H new ATOM 0 HA MET A 82 0.162 1.197 9.511 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.523 -0.962 7.395 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.451 0.492 7.292 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.735 1.838 7.494 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.598 0.324 7.311 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.654 -0.884 3.776 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.712 -1.091 5.192 1.00 0.00 H new ATOM 0 HE3 MET A 82 0.964 -1.388 5.337 1.00 0.00 H new ATOM 1167 N THR A 83 -1.745 -0.490 9.770 1.00 0.00 N ATOM 1168 CA THR A 83 -2.769 -1.374 10.301 1.00 0.00 C ATOM 1169 C THR A 83 -3.608 -1.961 9.166 1.00 0.00 C ATOM 1170 O THR A 83 -3.822 -1.309 8.145 1.00 0.00 O ATOM 1171 CB THR A 83 -3.593 -0.584 11.320 1.00 0.00 C ATOM 1172 OG1 THR A 83 -2.620 0.143 12.065 1.00 0.00 O ATOM 1173 CG2 THR A 83 -4.260 -1.486 12.360 1.00 0.00 C ATOM 0 H THR A 83 -2.097 0.384 9.380 1.00 0.00 H new ATOM 0 HA THR A 83 -2.327 -2.230 10.812 1.00 0.00 H new ATOM 0 HB THR A 83 -4.356 -0.005 10.799 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.974 1.029 12.289 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.832 -0.875 13.058 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.928 -2.186 11.859 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.496 -2.040 12.905 1.00 0.00 H new ATOM 1181 N LEU A 84 -4.062 -3.187 9.381 1.00 0.00 N ATOM 1182 CA LEU A 84 -4.874 -3.870 8.389 1.00 0.00 C ATOM 1183 C LEU A 84 -6.289 -4.064 8.938 1.00 0.00 C ATOM 1184 O LEU A 84 -6.522 -3.900 10.135 1.00 0.00 O ATOM 1185 CB LEU A 84 -4.201 -5.173 7.950 1.00 0.00 C ATOM 1186 CG LEU A 84 -2.772 -5.043 7.418 1.00 0.00 C ATOM 1187 CD1 LEU A 84 -2.276 -6.374 6.849 1.00 0.00 C ATOM 1188 CD2 LEU A 84 -2.668 -3.908 6.398 1.00 0.00 C ATOM 0 H LEU A 84 -3.883 -3.725 10.229 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.962 -3.264 7.487 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.191 -5.857 8.798 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.815 -5.633 7.176 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.119 -4.786 8.252 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.258 -6.254 6.478 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.290 -7.132 7.632 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.926 -6.685 6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.642 -3.837 6.036 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.336 -4.109 5.560 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.952 -2.967 6.870 1.00 0.00 H new ATOM 1200 N GLN A 85 -7.197 -4.411 8.038 1.00 0.00 N ATOM 1201 CA GLN A 85 -8.582 -4.629 8.417 1.00 0.00 C ATOM 1202 C GLN A 85 -8.961 -6.099 8.221 1.00 0.00 C ATOM 1203 O GLN A 85 -8.696 -6.676 7.168 1.00 0.00 O ATOM 1204 CB GLN A 85 -9.518 -3.711 7.629 1.00 0.00 C ATOM 1205 CG GLN A 85 -10.962 -4.213 7.693 1.00 0.00 C ATOM 1206 CD GLN A 85 -11.902 -3.278 6.931 1.00 0.00 C ATOM 1207 OE1 GLN A 85 -12.688 -2.542 7.506 1.00 0.00 O ATOM 1208 NE2 GLN A 85 -11.779 -3.346 5.609 1.00 0.00 N ATOM 0 H GLN A 85 -7.000 -4.547 7.046 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.692 -4.384 9.473 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.463 -2.699 8.030 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.193 -3.660 6.590 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.021 -5.216 7.271 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.280 -4.285 8.733 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.101 -3.984 5.192 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.363 -2.760 5.012 1.00 0.00 H new ATOM 1217 N ARG A 86 -9.576 -6.661 9.251 1.00 0.00 N ATOM 1218 CA ARG A 86 -9.995 -8.051 9.205 1.00 0.00 C ATOM 1219 C ARG A 86 -11.258 -8.198 8.354 1.00 0.00 C ATOM 1220 O ARG A 86 -12.044 -7.259 8.237 1.00 0.00 O ATOM 1221 CB ARG A 86 -10.270 -8.591 10.610 1.00 0.00 C ATOM 1222 CG ARG A 86 -11.668 -8.191 11.087 1.00 0.00 C ATOM 1223 CD ARG A 86 -11.804 -6.670 11.174 1.00 0.00 C ATOM 1224 NE ARG A 86 -13.039 -6.313 11.906 1.00 0.00 N ATOM 1225 CZ ARG A 86 -14.261 -6.303 11.357 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -14.419 -6.629 10.067 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -15.326 -5.966 12.097 1.00 0.00 N ATOM 0 H ARG A 86 -9.794 -6.178 10.123 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.183 -8.626 8.759 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.179 -9.677 10.610 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.522 -8.208 11.304 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.417 -8.588 10.402 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.863 -8.633 12.064 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.936 -6.248 11.681 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.828 -6.241 10.172 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.955 -6.059 12.890 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.609 -6.885 9.503 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.350 -6.621 9.649 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -15.207 -5.717 13.079 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.256 -5.959 11.678 1.00 0.00 H new ATOM 1241 N ALA A 87 -11.413 -9.382 7.781 1.00 0.00 N ATOM 1242 CA ALA A 87 -12.567 -9.663 6.944 1.00 0.00 C ATOM 1243 C ALA A 87 -12.944 -11.140 7.082 1.00 0.00 C ATOM 1244 O ALA A 87 -12.249 -12.012 6.564 1.00 0.00 O ATOM 1245 CB ALA A 87 -12.257 -9.273 5.498 1.00 0.00 C ATOM 0 H ALA A 87 -10.759 -10.158 7.880 1.00 0.00 H new ATOM 0 HA ALA A 87 -13.425 -9.072 7.263 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -13.123 -9.484 4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.025 -8.209 5.450 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.402 -9.848 5.141 1.00 0.00 H new ATOM 1251 N SER A 88 -14.044 -11.374 7.783 1.00 0.00 N ATOM 1252 CA SER A 88 -14.521 -12.730 7.995 1.00 0.00 C ATOM 1253 C SER A 88 -13.343 -13.658 8.301 1.00 0.00 C ATOM 1254 O SER A 88 -12.257 -13.195 8.645 1.00 0.00 O ATOM 1255 CB SER A 88 -15.295 -13.239 6.777 1.00 0.00 C ATOM 1256 OG SER A 88 -16.065 -12.208 6.165 1.00 0.00 O ATOM 0 H SER A 88 -14.618 -10.648 8.211 1.00 0.00 H new ATOM 0 HA SER A 88 -15.201 -12.723 8.847 1.00 0.00 H new ATOM 0 HB2 SER A 88 -14.596 -13.650 6.049 1.00 0.00 H new ATOM 0 HB3 SER A 88 -15.954 -14.052 7.080 1.00 0.00 H new ATOM 0 HG SER A 88 -16.543 -12.572 5.391 1.00 0.00 H new ATOM 1262 N ALA A 89 -13.599 -14.951 8.164 1.00 0.00 N ATOM 1263 CA ALA A 89 -12.573 -15.947 8.421 1.00 0.00 C ATOM 1264 C ALA A 89 -11.679 -16.083 7.188 1.00 0.00 C ATOM 1265 O ALA A 89 -12.167 -16.079 6.059 1.00 0.00 O ATOM 1266 CB ALA A 89 -13.234 -17.271 8.811 1.00 0.00 C ATOM 0 H ALA A 89 -14.501 -15.331 7.879 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.940 -15.640 9.254 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -12.465 -18.019 9.004 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -13.834 -17.127 9.710 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.875 -17.611 7.998 1.00 0.00 H new ATOM 1272 N ALA A 90 -10.384 -16.200 7.444 1.00 0.00 N ATOM 1273 CA ALA A 90 -9.417 -16.337 6.369 1.00 0.00 C ATOM 1274 C ALA A 90 -8.870 -17.766 6.359 1.00 0.00 C ATOM 1275 O ALA A 90 -7.725 -17.999 6.741 1.00 0.00 O ATOM 1276 CB ALA A 90 -8.313 -15.291 6.539 1.00 0.00 C ATOM 0 H ALA A 90 -9.982 -16.203 8.381 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.889 -16.159 5.403 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.587 -15.394 5.732 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.750 -14.293 6.509 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.815 -15.440 7.497 1.00 0.00 H new ATOM 1282 N ALA A 91 -9.715 -18.686 5.917 1.00 0.00 N ATOM 1283 CA ALA A 91 -9.331 -20.085 5.852 1.00 0.00 C ATOM 1284 C ALA A 91 -10.374 -20.859 5.042 1.00 0.00 C ATOM 1285 O ALA A 91 -11.574 -20.712 5.267 1.00 0.00 O ATOM 1286 CB ALA A 91 -9.169 -20.637 7.270 1.00 0.00 C ATOM 0 H ALA A 91 -10.664 -18.489 5.600 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.372 -20.196 5.347 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.881 -21.687 7.221 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.397 -20.073 7.794 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.113 -20.545 7.806 1.00 0.00 H new ATOM 1292 N LYS A 92 -9.877 -21.666 4.116 1.00 0.00 N ATOM 1293 CA LYS A 92 -10.751 -22.463 3.272 1.00 0.00 C ATOM 1294 C LYS A 92 -10.327 -23.931 3.349 1.00 0.00 C ATOM 1295 O LYS A 92 -9.139 -24.234 3.449 1.00 0.00 O ATOM 1296 CB LYS A 92 -10.774 -21.904 1.847 1.00 0.00 C ATOM 1297 CG LYS A 92 -9.398 -22.024 1.189 1.00 0.00 C ATOM 1298 CD LYS A 92 -8.607 -20.722 1.330 1.00 0.00 C ATOM 1299 CE LYS A 92 -7.683 -20.509 0.130 1.00 0.00 C ATOM 1300 NZ LYS A 92 -8.034 -19.258 -0.578 1.00 0.00 N ATOM 0 H LYS A 92 -8.881 -21.785 3.932 1.00 0.00 H new ATOM 0 HA LYS A 92 -11.779 -22.408 3.629 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -11.513 -22.442 1.253 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -11.081 -20.858 1.868 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -8.842 -22.843 1.647 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -9.516 -22.270 0.134 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.296 -19.882 1.417 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.018 -20.748 2.247 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.647 -20.466 0.465 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -7.763 -21.355 -0.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -7.397 -19.128 -1.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -9.017 -19.313 -0.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.935 -18.452 0.072 1.00 0.00 H new ATOM 1314 N SER A 93 -11.323 -24.804 3.301 1.00 0.00 N ATOM 1315 CA SER A 93 -11.069 -26.233 3.365 1.00 0.00 C ATOM 1316 C SER A 93 -11.770 -26.942 2.204 1.00 0.00 C ATOM 1317 O SER A 93 -12.971 -26.766 1.999 1.00 0.00 O ATOM 1318 CB SER A 93 -11.533 -26.816 4.701 1.00 0.00 C ATOM 1319 OG SER A 93 -10.591 -27.741 5.236 1.00 0.00 O ATOM 0 H SER A 93 -12.307 -24.549 3.219 1.00 0.00 H new ATOM 0 HA SER A 93 -9.994 -26.393 3.284 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.692 -26.007 5.414 1.00 0.00 H new ATOM 0 HB3 SER A 93 -12.493 -27.314 4.565 1.00 0.00 H new ATOM 0 HG SER A 93 -10.923 -28.089 6.090 1.00 0.00 H new ATOM 1325 N GLU A 94 -10.992 -27.727 1.475 1.00 0.00 N ATOM 1326 CA GLU A 94 -11.523 -28.463 0.340 1.00 0.00 C ATOM 1327 C GLU A 94 -11.810 -29.913 0.735 1.00 0.00 C ATOM 1328 O GLU A 94 -10.902 -30.647 1.119 1.00 0.00 O ATOM 1329 CB GLU A 94 -10.566 -28.398 -0.852 1.00 0.00 C ATOM 1330 CG GLU A 94 -11.262 -27.814 -2.083 1.00 0.00 C ATOM 1331 CD GLU A 94 -10.550 -28.239 -3.369 1.00 0.00 C ATOM 1332 OE1 GLU A 94 -9.578 -27.544 -3.736 1.00 0.00 O ATOM 1333 OE2 GLU A 94 -10.994 -29.249 -3.956 1.00 0.00 O ATOM 0 H GLU A 94 -9.997 -27.870 1.648 1.00 0.00 H new ATOM 0 HA GLU A 94 -12.461 -27.998 0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.701 -27.787 -0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.195 -29.397 -1.080 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.300 -28.147 -2.111 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -11.278 -26.726 -2.014 1.00 0.00 H new ATOM 1340 N PRO A 95 -13.112 -30.291 0.624 1.00 0.00 N ATOM 1341 CA PRO A 95 -13.530 -31.640 0.965 1.00 0.00 C ATOM 1342 C PRO A 95 -13.113 -32.635 -0.120 1.00 0.00 C ATOM 1343 O PRO A 95 -13.139 -32.311 -1.307 1.00 0.00 O ATOM 1344 CB PRO A 95 -15.038 -31.552 1.141 1.00 0.00 C ATOM 1345 CG PRO A 95 -15.465 -30.271 0.442 1.00 0.00 C ATOM 1346 CD PRO A 95 -14.216 -29.448 0.173 1.00 0.00 C ATOM 0 HA PRO A 95 -13.056 -32.009 1.875 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.533 -32.419 0.704 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.307 -31.529 2.197 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.980 -30.499 -0.491 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -16.164 -29.712 1.064 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -14.122 -29.205 -0.885 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -14.240 -28.503 0.716 1.00 0.00 H new ATOM 1354 N VAL A 96 -12.738 -33.825 0.325 1.00 0.00 N ATOM 1355 CA VAL A 96 -12.315 -34.868 -0.593 1.00 0.00 C ATOM 1356 C VAL A 96 -13.546 -35.611 -1.115 1.00 0.00 C ATOM 1357 O VAL A 96 -14.532 -35.768 -0.397 1.00 0.00 O ATOM 1358 CB VAL A 96 -11.306 -35.792 0.093 1.00 0.00 C ATOM 1359 CG1 VAL A 96 -11.821 -36.248 1.460 1.00 0.00 C ATOM 1360 CG2 VAL A 96 -10.970 -36.992 -0.794 1.00 0.00 C ATOM 0 H VAL A 96 -12.718 -34.090 1.310 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.806 -34.435 -1.454 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.388 -35.226 0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.085 -36.903 1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.986 -35.378 2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.759 -36.788 1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.251 -37.632 -0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.878 -37.558 -1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.541 -36.642 -1.733 1.00 0.00 H new ATOM 1370 N SER A 97 -13.449 -36.049 -2.362 1.00 0.00 N ATOM 1371 CA SER A 97 -14.543 -36.771 -2.989 1.00 0.00 C ATOM 1372 C SER A 97 -14.081 -38.174 -3.390 1.00 0.00 C ATOM 1373 O SER A 97 -12.919 -38.372 -3.741 1.00 0.00 O ATOM 1374 CB SER A 97 -15.073 -36.017 -4.210 1.00 0.00 C ATOM 1375 OG SER A 97 -15.969 -34.972 -3.845 1.00 0.00 O ATOM 0 H SER A 97 -12.629 -35.918 -2.955 1.00 0.00 H new ATOM 0 HA SER A 97 -15.356 -36.855 -2.268 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.236 -35.598 -4.769 1.00 0.00 H new ATOM 0 HB3 SER A 97 -15.582 -36.715 -4.874 1.00 0.00 H new ATOM 0 HG SER A 97 -16.284 -34.514 -4.652 1.00 0.00 H new ATOM 1381 N SER A 98 -15.016 -39.111 -3.324 1.00 0.00 N ATOM 1382 CA SER A 98 -14.720 -40.489 -3.676 1.00 0.00 C ATOM 1383 C SER A 98 -16.011 -41.227 -4.035 1.00 0.00 C ATOM 1384 O SER A 98 -17.100 -40.804 -3.647 1.00 0.00 O ATOM 1385 CB SER A 98 -13.998 -41.207 -2.534 1.00 0.00 C ATOM 1386 OG SER A 98 -12.638 -41.486 -2.854 1.00 0.00 O ATOM 0 H SER A 98 -15.979 -38.943 -3.032 1.00 0.00 H new ATOM 0 HA SER A 98 -14.058 -40.485 -4.542 1.00 0.00 H new ATOM 0 HB2 SER A 98 -14.040 -40.592 -1.635 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.516 -42.139 -2.307 1.00 0.00 H new ATOM 0 HG SER A 98 -12.211 -41.943 -2.099 1.00 0.00 H new ATOM 1392 N GLY A 99 -15.848 -42.317 -4.770 1.00 0.00 N ATOM 1393 CA GLY A 99 -16.988 -43.118 -5.184 1.00 0.00 C ATOM 1394 C GLY A 99 -16.744 -44.603 -4.907 1.00 0.00 C ATOM 1395 O GLY A 99 -15.599 -45.039 -4.803 1.00 0.00 O ATOM 0 H GLY A 99 -14.944 -42.665 -5.090 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -17.881 -42.787 -4.654 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.175 -42.969 -6.247 1.00 0.00 H new ATOM 1399 N PRO A 100 -17.870 -45.358 -4.792 1.00 0.00 N ATOM 1400 CA PRO A 100 -17.790 -46.784 -4.528 1.00 0.00 C ATOM 1401 C PRO A 100 -17.363 -47.550 -5.782 1.00 0.00 C ATOM 1402 O PRO A 100 -17.189 -46.958 -6.846 1.00 0.00 O ATOM 1403 CB PRO A 100 -19.176 -47.172 -4.039 1.00 0.00 C ATOM 1404 CG PRO A 100 -20.103 -46.054 -4.485 1.00 0.00 C ATOM 1405 CD PRO A 100 -19.243 -44.875 -4.908 1.00 0.00 C ATOM 0 HA PRO A 100 -17.035 -47.032 -3.782 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -19.486 -48.128 -4.461 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -19.191 -47.283 -2.955 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -20.730 -46.386 -5.313 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -20.772 -45.767 -3.674 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -19.469 -44.566 -5.928 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -19.414 -44.010 -4.267 1.00 0.00 H new ATOM 1413 N SER A 101 -17.207 -48.855 -5.615 1.00 0.00 N ATOM 1414 CA SER A 101 -16.803 -49.708 -6.720 1.00 0.00 C ATOM 1415 C SER A 101 -17.862 -50.786 -6.962 1.00 0.00 C ATOM 1416 O SER A 101 -18.533 -51.222 -6.029 1.00 0.00 O ATOM 1417 CB SER A 101 -15.442 -50.352 -6.451 1.00 0.00 C ATOM 1418 OG SER A 101 -14.415 -49.790 -7.263 1.00 0.00 O ATOM 0 H SER A 101 -17.353 -49.343 -4.731 1.00 0.00 H new ATOM 0 HA SER A 101 -16.711 -49.090 -7.613 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.183 -50.226 -5.400 1.00 0.00 H new ATOM 0 HB3 SER A 101 -15.505 -51.424 -6.637 1.00 0.00 H new ATOM 0 HG SER A 101 -13.562 -50.227 -7.060 1.00 0.00 H new ATOM 1424 N SER A 102 -17.977 -51.185 -8.221 1.00 0.00 N ATOM 1425 CA SER A 102 -18.942 -52.203 -8.597 1.00 0.00 C ATOM 1426 C SER A 102 -18.358 -53.595 -8.350 1.00 0.00 C ATOM 1427 O SER A 102 -17.157 -53.807 -8.517 1.00 0.00 O ATOM 1428 CB SER A 102 -19.357 -52.055 -10.063 1.00 0.00 C ATOM 1429 OG SER A 102 -18.348 -52.524 -10.953 1.00 0.00 O ATOM 0 H SER A 102 -17.418 -50.821 -8.993 1.00 0.00 H new ATOM 0 HA SER A 102 -19.832 -52.074 -7.980 1.00 0.00 H new ATOM 0 HB2 SER A 102 -20.280 -52.609 -10.236 1.00 0.00 H new ATOM 0 HB3 SER A 102 -19.570 -51.007 -10.276 1.00 0.00 H new ATOM 0 HG SER A 102 -18.651 -52.414 -11.878 1.00 0.00 H new ATOM 1435 N GLY A 103 -19.233 -54.509 -7.956 1.00 0.00 N ATOM 1436 CA GLY A 103 -18.818 -55.874 -7.684 1.00 0.00 C ATOM 1437 C GLY A 103 -18.765 -56.698 -8.972 1.00 0.00 C ATOM 1438 O GLY A 103 -19.760 -56.801 -9.689 1.00 0.00 O ATOM 0 H GLY A 103 -20.228 -54.330 -7.819 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -17.837 -55.872 -7.209 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -19.512 -56.336 -6.981 1.00 0.00 H new TER 1442 GLY A 103