USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 824 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 83 HIS : no HD1:sc= 0.34 K(o=1.5,f=-6.3!) USER MOD Set 1.2: A 85 TYR OH : rot -40:sc= 1.21 USER MOD Set 2.1: A 53 TYR OH : rot -128:sc= 1.18 USER MOD Set 2.2: A 103 LYS NZ :NH3+ -173:sc=-0.00266 (180deg=-0.0843) USER MOD Set 3.1: A 34 THR OG1 : rot -147:sc= 2.26 USER MOD Set 3.2: A 61 LYS NZ :NH3+ -157:sc= 0.784 (180deg=-0.523) USER MOD Set 4.1: A 24 HIS : no HD1:sc= 0.786 K(o=0.61,f=-3.8!) USER MOD Set 4.2: A 86 LYS NZ :NH3+ -141:sc= -0.173 (180deg=0.0213) USER MOD Single : A 3 SER OG : rot 65:sc= 1.16 USER MOD Single : A 9 SER OG : rot 180:sc= 0.027 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.32 F(o=-2.4,f=-0.32) USER MOD Single : A 19 LYS NZ :NH3+ -158:sc= -0.214 (180deg=-0.986) USER MOD Single : A 21 LYS NZ :NH3+ -175:sc= -0.19 (180deg=-0.251) USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0978) USER MOD Single : A 32 THR OG1 : rot 74:sc= 0.719 USER MOD Single : A 40 LYS NZ :NH3+ -153:sc= 0.928 (180deg=0.429) USER MOD Single : A 41 MET CE :methyl 161:sc= -0.126 (180deg=-0.546) USER MOD Single : A 48 THR OG1 : rot 68:sc= 1.23 USER MOD Single : A 50 SER OG : rot -78:sc= 1.11 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0829) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.561 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 129:sc= 1.06 USER MOD Single : A 90 LYS NZ :NH3+ -115:sc= 0.6 (180deg=-0.262) USER MOD Single : A 98 SER OG : rot 23:sc= 1.04 USER MOD Single : A 99 GLN : amide:sc= 0.175 K(o=0.18,f=-3.8!) USER MOD Single : A 101 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00488) USER MOD Single : A 108 LYS NZ :NH3+ -156:sc= -0.187 (180deg=-0.729) USER MOD Single : A 109 HIS : no HD1:sc= 0.216 K(o=0.22,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 3 -2.723 -8.261 4.586 1.00 0.00 N ATOM 18 CA SER A 3 -1.339 -7.815 4.669 1.00 0.00 C ATOM 19 C SER A 3 -1.224 -6.407 4.072 1.00 0.00 C ATOM 20 O SER A 3 -0.800 -6.219 2.933 1.00 0.00 O ATOM 21 CB SER A 3 -0.457 -8.849 3.948 1.00 0.00 C ATOM 22 OG SER A 3 -1.227 -9.557 2.992 1.00 0.00 O ATOM 0 HA SER A 3 -0.998 -7.747 5.702 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.378 -8.349 3.457 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.031 -9.544 4.672 1.00 0.00 H new ATOM 0 HG SER A 3 -1.532 -8.939 2.295 1.00 0.00 H new ATOM 28 N VAL A 4 -1.627 -5.407 4.851 1.00 0.00 N ATOM 29 CA VAL A 4 -1.655 -4.015 4.448 1.00 0.00 C ATOM 30 C VAL A 4 -0.816 -3.178 5.411 1.00 0.00 C ATOM 31 O VAL A 4 -1.114 -3.166 6.603 1.00 0.00 O ATOM 32 CB VAL A 4 -3.123 -3.564 4.428 1.00 0.00 C ATOM 33 CG1 VAL A 4 -3.229 -2.051 4.181 1.00 0.00 C ATOM 34 CG2 VAL A 4 -3.966 -4.413 3.448 1.00 0.00 C ATOM 0 H VAL A 4 -1.951 -5.553 5.807 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.226 -3.883 3.455 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.554 -3.743 5.413 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.278 -1.757 4.171 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.709 -1.515 4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.775 -1.806 3.221 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.999 -4.065 3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.562 -4.314 2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.932 -5.459 3.751 1.00 0.00 H new ATOM 44 N ILE A 5 0.219 -2.486 4.911 1.00 0.00 N ATOM 45 CA ILE A 5 1.073 -1.642 5.742 1.00 0.00 C ATOM 46 C ILE A 5 1.532 -0.386 4.992 1.00 0.00 C ATOM 47 O ILE A 5 1.348 -0.240 3.779 1.00 0.00 O ATOM 48 CB ILE A 5 2.310 -2.423 6.252 1.00 0.00 C ATOM 49 CG1 ILE A 5 3.273 -2.815 5.113 1.00 0.00 C ATOM 50 CG2 ILE A 5 1.901 -3.676 7.042 1.00 0.00 C ATOM 51 CD1 ILE A 5 4.668 -3.144 5.659 1.00 0.00 C ATOM 0 H ILE A 5 0.481 -2.499 3.925 1.00 0.00 H new ATOM 0 HA ILE A 5 0.471 -1.334 6.597 1.00 0.00 H new ATOM 0 HB ILE A 5 2.840 -1.742 6.918 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.876 -3.677 4.577 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.343 -1.998 4.395 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.795 -4.198 7.384 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.300 -3.383 7.903 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.318 -4.336 6.400 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.326 -3.417 4.834 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.073 -2.272 6.173 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.598 -3.977 6.358 1.00 0.00 H new ATOM 63 N VAL A 6 2.171 0.505 5.753 1.00 0.00 N ATOM 64 CA VAL A 6 2.843 1.706 5.300 1.00 0.00 C ATOM 65 C VAL A 6 4.325 1.418 5.506 1.00 0.00 C ATOM 66 O VAL A 6 4.681 0.849 6.539 1.00 0.00 O ATOM 67 CB VAL A 6 2.374 2.926 6.114 1.00 0.00 C ATOM 68 CG1 VAL A 6 3.010 4.207 5.563 1.00 0.00 C ATOM 69 CG2 VAL A 6 0.843 3.051 6.103 1.00 0.00 C ATOM 0 H VAL A 6 2.232 0.392 6.765 1.00 0.00 H new ATOM 0 HA VAL A 6 2.625 1.946 4.259 1.00 0.00 H new ATOM 0 HB VAL A 6 2.693 2.782 7.146 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.670 5.062 6.147 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.095 4.131 5.628 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.717 4.340 4.521 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.545 3.922 6.687 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.495 3.165 5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.402 2.154 6.538 1.00 0.00 H new ATOM 79 N ILE A 7 5.183 1.752 4.540 1.00 0.00 N ATOM 80 CA ILE A 7 6.595 1.433 4.634 1.00 0.00 C ATOM 81 C ILE A 7 7.430 2.424 3.824 1.00 0.00 C ATOM 82 O ILE A 7 6.966 3.005 2.843 1.00 0.00 O ATOM 83 CB ILE A 7 6.794 -0.029 4.166 1.00 0.00 C ATOM 84 CG1 ILE A 7 8.198 -0.584 4.454 1.00 0.00 C ATOM 85 CG2 ILE A 7 6.513 -0.180 2.662 1.00 0.00 C ATOM 86 CD1 ILE A 7 8.503 -0.655 5.955 1.00 0.00 C ATOM 0 H ILE A 7 4.917 2.243 3.686 1.00 0.00 H new ATOM 0 HA ILE A 7 6.938 1.520 5.665 1.00 0.00 H new ATOM 0 HB ILE A 7 6.076 -0.607 4.748 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.288 -1.580 4.020 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.942 0.045 3.964 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.662 -1.219 2.366 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.484 0.113 2.453 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.193 0.459 2.099 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.506 -1.054 6.104 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.442 0.344 6.386 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.778 -1.306 6.443 1.00 0.00 H new ATOM 98 N ASP A 8 8.676 2.610 4.257 1.00 0.00 N ATOM 99 CA ASP A 8 9.670 3.437 3.600 1.00 0.00 C ATOM 100 C ASP A 8 10.814 2.533 3.136 1.00 0.00 C ATOM 101 O ASP A 8 11.051 2.389 1.944 1.00 0.00 O ATOM 102 CB ASP A 8 10.128 4.562 4.553 1.00 0.00 C ATOM 103 CG ASP A 8 10.736 4.134 5.895 1.00 0.00 C ATOM 104 OD1 ASP A 8 10.481 2.985 6.328 1.00 0.00 O ATOM 105 OD2 ASP A 8 11.475 4.967 6.459 1.00 0.00 O ATOM 0 H ASP A 8 9.028 2.170 5.107 1.00 0.00 H new ATOM 0 HA ASP A 8 9.258 3.933 2.721 1.00 0.00 H new ATOM 0 HB2 ASP A 8 10.862 5.173 4.028 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.270 5.202 4.759 1.00 0.00 H new ATOM 110 N SER A 9 11.481 1.896 4.095 1.00 0.00 N ATOM 111 CA SER A 9 12.643 1.037 3.987 1.00 0.00 C ATOM 112 C SER A 9 12.634 0.152 2.736 1.00 0.00 C ATOM 113 O SER A 9 11.933 -0.861 2.697 1.00 0.00 O ATOM 114 CB SER A 9 12.700 0.193 5.265 1.00 0.00 C ATOM 115 OG SER A 9 12.767 1.034 6.407 1.00 0.00 O ATOM 0 H SER A 9 11.184 1.982 5.067 1.00 0.00 H new ATOM 0 HA SER A 9 13.534 1.656 3.881 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.819 -0.446 5.327 1.00 0.00 H new ATOM 0 HB3 SER A 9 13.569 -0.464 5.237 1.00 0.00 H new ATOM 0 HG SER A 9 12.801 0.484 7.217 1.00 0.00 H new ATOM 121 N LYS A 10 13.473 0.509 1.753 1.00 0.00 N ATOM 122 CA LYS A 10 13.644 -0.212 0.494 1.00 0.00 C ATOM 123 C LYS A 10 13.735 -1.716 0.751 1.00 0.00 C ATOM 124 O LYS A 10 13.043 -2.508 0.125 1.00 0.00 O ATOM 125 CB LYS A 10 14.931 0.237 -0.214 1.00 0.00 C ATOM 126 CG LYS A 10 15.003 1.740 -0.501 1.00 0.00 C ATOM 127 CD LYS A 10 16.246 2.054 -1.340 1.00 0.00 C ATOM 128 CE LYS A 10 16.381 3.565 -1.557 1.00 0.00 C ATOM 129 NZ LYS A 10 17.557 3.884 -2.385 1.00 0.00 N ATOM 0 H LYS A 10 14.068 1.335 1.819 1.00 0.00 H new ATOM 0 HA LYS A 10 12.781 0.007 -0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 10 15.786 -0.045 0.400 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.022 -0.305 -1.155 1.00 0.00 H new ATOM 0 HG2 LYS A 10 14.106 2.061 -1.031 1.00 0.00 H new ATOM 0 HG3 LYS A 10 15.036 2.296 0.436 1.00 0.00 H new ATOM 0 HD2 LYS A 10 17.136 1.672 -0.839 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.179 1.547 -2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.481 3.947 -2.038 1.00 0.00 H new ATOM 0 HE3 LYS A 10 16.465 4.067 -0.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 17.622 4.914 -2.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 18.417 3.540 -1.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 17.463 3.424 -3.313 1.00 0.00 H new ATOM 143 N ALA A 11 14.587 -2.098 1.704 1.00 0.00 N ATOM 144 CA ALA A 11 14.795 -3.491 2.073 1.00 0.00 C ATOM 145 C ALA A 11 13.461 -4.194 2.345 1.00 0.00 C ATOM 146 O ALA A 11 13.202 -5.265 1.803 1.00 0.00 O ATOM 147 CB ALA A 11 15.703 -3.557 3.305 1.00 0.00 C ATOM 0 H ALA A 11 15.153 -1.442 2.242 1.00 0.00 H new ATOM 0 HA ALA A 11 15.275 -4.009 1.243 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.861 -4.598 3.585 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.662 -3.093 3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 11 15.232 -3.026 4.133 1.00 0.00 H new ATOM 153 N ALA A 12 12.608 -3.581 3.172 1.00 0.00 N ATOM 154 CA ALA A 12 11.311 -4.140 3.524 1.00 0.00 C ATOM 155 C ALA A 12 10.407 -4.176 2.293 1.00 0.00 C ATOM 156 O ALA A 12 9.730 -5.176 2.060 1.00 0.00 O ATOM 157 CB ALA A 12 10.682 -3.313 4.645 1.00 0.00 C ATOM 0 H ALA A 12 12.803 -2.682 3.614 1.00 0.00 H new ATOM 0 HA ALA A 12 11.438 -5.162 3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.711 -3.734 4.907 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.333 -3.331 5.519 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.553 -2.284 4.310 1.00 0.00 H new ATOM 163 N TRP A 13 10.399 -3.080 1.522 1.00 0.00 N ATOM 164 CA TRP A 13 9.642 -2.965 0.279 1.00 0.00 C ATOM 165 C TRP A 13 9.959 -4.177 -0.611 1.00 0.00 C ATOM 166 O TRP A 13 9.073 -4.982 -0.902 1.00 0.00 O ATOM 167 CB TRP A 13 9.956 -1.604 -0.392 1.00 0.00 C ATOM 168 CG TRP A 13 10.151 -1.572 -1.885 1.00 0.00 C ATOM 169 CD1 TRP A 13 11.350 -1.636 -2.509 1.00 0.00 C ATOM 170 CD2 TRP A 13 9.170 -1.448 -2.961 1.00 0.00 C ATOM 171 NE1 TRP A 13 11.184 -1.664 -3.872 1.00 0.00 N ATOM 172 CE2 TRP A 13 9.859 -1.517 -4.209 1.00 0.00 C ATOM 173 CE3 TRP A 13 7.770 -1.271 -3.018 1.00 0.00 C ATOM 174 CZ2 TRP A 13 9.201 -1.437 -5.444 1.00 0.00 C ATOM 175 CZ3 TRP A 13 7.108 -1.135 -4.254 1.00 0.00 C ATOM 176 CH2 TRP A 13 7.814 -1.242 -5.465 1.00 0.00 C ATOM 0 H TRP A 13 10.928 -2.239 1.752 1.00 0.00 H new ATOM 0 HA TRP A 13 8.568 -2.978 0.465 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.145 -0.918 -0.148 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.860 -1.206 0.070 1.00 0.00 H new ATOM 0 HD1 TRP A 13 12.305 -1.662 -2.005 1.00 0.00 H new ATOM 0 HE1 TRP A 13 11.942 -1.779 -4.545 1.00 0.00 H new ATOM 0 HE3 TRP A 13 7.199 -1.239 -2.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 9.756 -1.524 -6.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.045 -0.946 -4.272 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.290 -1.174 -6.407 1.00 0.00 H new ATOM 187 N ASP A 14 11.230 -4.328 -0.993 1.00 0.00 N ATOM 188 CA ASP A 14 11.707 -5.396 -1.863 1.00 0.00 C ATOM 189 C ASP A 14 11.402 -6.758 -1.251 1.00 0.00 C ATOM 190 O ASP A 14 10.881 -7.648 -1.927 1.00 0.00 O ATOM 191 CB ASP A 14 13.220 -5.257 -2.101 1.00 0.00 C ATOM 192 CG ASP A 14 13.585 -4.057 -2.970 1.00 0.00 C ATOM 193 OD1 ASP A 14 13.039 -3.971 -4.092 1.00 0.00 O ATOM 194 OD2 ASP A 14 14.411 -3.244 -2.503 1.00 0.00 O ATOM 0 H ASP A 14 11.971 -3.693 -0.696 1.00 0.00 H new ATOM 0 HA ASP A 14 11.190 -5.316 -2.819 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.726 -5.168 -1.139 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.592 -6.166 -2.574 1.00 0.00 H new ATOM 199 N ALA A 15 11.743 -6.917 0.028 1.00 0.00 N ATOM 200 CA ALA A 15 11.539 -8.163 0.743 1.00 0.00 C ATOM 201 C ALA A 15 10.090 -8.613 0.622 1.00 0.00 C ATOM 202 O ALA A 15 9.830 -9.658 0.034 1.00 0.00 O ATOM 203 CB ALA A 15 11.955 -8.023 2.210 1.00 0.00 C ATOM 0 H ALA A 15 12.168 -6.181 0.592 1.00 0.00 H new ATOM 0 HA ALA A 15 12.170 -8.929 0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.793 -8.969 2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.010 -7.756 2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.358 -7.244 2.685 1.00 0.00 H new ATOM 209 N GLN A 16 9.154 -7.826 1.155 1.00 0.00 N ATOM 210 CA GLN A 16 7.742 -8.189 1.159 1.00 0.00 C ATOM 211 C GLN A 16 7.248 -8.401 -0.275 1.00 0.00 C ATOM 212 O GLN A 16 6.622 -9.425 -0.559 1.00 0.00 O ATOM 213 CB GLN A 16 6.925 -7.137 1.922 1.00 0.00 C ATOM 214 CG GLN A 16 5.553 -7.716 2.315 1.00 0.00 C ATOM 215 CD GLN A 16 4.695 -6.794 3.180 1.00 0.00 C ATOM 216 OE1 GLN A 16 5.262 -5.736 3.750 1.00 0.00 O flip ATOM 217 NE2 GLN A 16 3.504 -7.033 3.346 1.00 0.00 N flip ATOM 0 H GLN A 16 9.354 -6.926 1.592 1.00 0.00 H new ATOM 0 HA GLN A 16 7.607 -9.135 1.684 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.465 -6.823 2.815 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.790 -6.250 1.303 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.001 -7.956 1.406 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.709 -8.653 2.850 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.081 -7.848 2.903 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.936 -6.416 3.927 1.00 0.00 H new ATOM 226 N LEU A 17 7.562 -7.449 -1.164 1.00 0.00 N ATOM 227 CA LEU A 17 7.205 -7.496 -2.576 1.00 0.00 C ATOM 228 C LEU A 17 7.520 -8.872 -3.170 1.00 0.00 C ATOM 229 O LEU A 17 6.662 -9.475 -3.809 1.00 0.00 O ATOM 230 CB LEU A 17 7.964 -6.373 -3.310 1.00 0.00 C ATOM 231 CG LEU A 17 7.906 -6.380 -4.847 1.00 0.00 C ATOM 232 CD1 LEU A 17 6.486 -6.159 -5.367 1.00 0.00 C ATOM 233 CD2 LEU A 17 8.807 -5.256 -5.377 1.00 0.00 C ATOM 0 H LEU A 17 8.082 -6.610 -0.909 1.00 0.00 H new ATOM 0 HA LEU A 17 6.133 -7.339 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.575 -5.417 -2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.011 -6.420 -3.010 1.00 0.00 H new ATOM 0 HG LEU A 17 8.243 -7.356 -5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.492 -6.171 -6.457 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.836 -6.953 -4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.116 -5.195 -5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.776 -5.248 -6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.454 -4.297 -4.997 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.831 -5.423 -5.044 1.00 0.00 H new ATOM 245 N ALA A 18 8.737 -9.378 -2.952 1.00 0.00 N ATOM 246 CA ALA A 18 9.157 -10.641 -3.544 1.00 0.00 C ATOM 247 C ALA A 18 8.734 -11.862 -2.729 1.00 0.00 C ATOM 248 O ALA A 18 8.186 -12.797 -3.310 1.00 0.00 O ATOM 249 CB ALA A 18 10.675 -10.615 -3.727 1.00 0.00 C ATOM 0 H ALA A 18 9.444 -8.929 -2.370 1.00 0.00 H new ATOM 0 HA ALA A 18 8.655 -10.741 -4.507 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.004 -11.555 -4.170 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.948 -9.789 -4.384 1.00 0.00 H new ATOM 0 HB3 ALA A 18 11.156 -10.482 -2.758 1.00 0.00 H new ATOM 255 N LYS A 19 8.976 -11.897 -1.410 1.00 0.00 N ATOM 256 CA LYS A 19 8.660 -13.084 -0.614 1.00 0.00 C ATOM 257 C LYS A 19 7.183 -13.459 -0.740 1.00 0.00 C ATOM 258 O LYS A 19 6.840 -14.632 -0.618 1.00 0.00 O ATOM 259 CB LYS A 19 9.077 -12.939 0.859 1.00 0.00 C ATOM 260 CG LYS A 19 8.294 -11.905 1.683 1.00 0.00 C ATOM 261 CD LYS A 19 8.006 -12.356 3.125 1.00 0.00 C ATOM 262 CE LYS A 19 9.239 -12.348 4.040 1.00 0.00 C ATOM 263 NZ LYS A 19 10.192 -13.427 3.721 1.00 0.00 N ATOM 0 H LYS A 19 9.384 -11.126 -0.881 1.00 0.00 H new ATOM 0 HA LYS A 19 9.253 -13.901 -1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.976 -13.911 1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.134 -12.675 0.892 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.857 -10.972 1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.349 -11.694 1.182 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.244 -11.704 3.553 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.589 -13.363 3.103 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.744 -11.386 3.954 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.918 -12.448 5.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.788 -13.620 4.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.668 -14.288 3.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.792 -13.135 2.923 1.00 0.00 H new ATOM 277 N GLY A 20 6.313 -12.474 -0.986 1.00 0.00 N ATOM 278 CA GLY A 20 4.907 -12.740 -1.216 1.00 0.00 C ATOM 279 C GLY A 20 4.696 -13.753 -2.349 1.00 0.00 C ATOM 280 O GLY A 20 3.788 -14.573 -2.254 1.00 0.00 O ATOM 0 H GLY A 20 6.568 -11.487 -1.029 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.454 -13.120 -0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.396 -11.809 -1.461 1.00 0.00 H new ATOM 284 N LYS A 21 5.516 -13.693 -3.414 1.00 0.00 N ATOM 285 CA LYS A 21 5.403 -14.539 -4.606 1.00 0.00 C ATOM 286 C LYS A 21 3.936 -14.604 -5.043 1.00 0.00 C ATOM 287 O LYS A 21 3.359 -15.670 -5.253 1.00 0.00 O ATOM 288 CB LYS A 21 5.983 -15.935 -4.335 1.00 0.00 C ATOM 289 CG LYS A 21 7.469 -15.856 -3.954 1.00 0.00 C ATOM 290 CD LYS A 21 8.133 -17.241 -3.909 1.00 0.00 C ATOM 291 CE LYS A 21 8.833 -17.611 -5.225 1.00 0.00 C ATOM 292 NZ LYS A 21 7.910 -17.630 -6.373 1.00 0.00 N ATOM 0 H LYS A 21 6.294 -13.036 -3.466 1.00 0.00 H new ATOM 0 HA LYS A 21 5.984 -14.106 -5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.424 -16.414 -3.531 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.865 -16.559 -5.221 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.993 -15.227 -4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.567 -15.376 -2.980 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.860 -17.263 -3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.378 -17.993 -3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.634 -16.897 -5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.298 -18.591 -5.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.414 -17.967 -7.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.114 -18.267 -6.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.550 -16.670 -6.545 1.00 0.00 H new ATOM 306 N GLU A 22 3.339 -13.422 -5.181 1.00 0.00 N ATOM 307 CA GLU A 22 1.914 -13.236 -5.421 1.00 0.00 C ATOM 308 C GLU A 22 1.514 -13.486 -6.880 1.00 0.00 C ATOM 309 O GLU A 22 0.914 -12.607 -7.501 1.00 0.00 O ATOM 310 CB GLU A 22 1.577 -11.813 -4.959 1.00 0.00 C ATOM 311 CG GLU A 22 1.723 -11.660 -3.438 1.00 0.00 C ATOM 312 CD GLU A 22 0.631 -12.383 -2.651 1.00 0.00 C ATOM 313 OE1 GLU A 22 0.828 -13.579 -2.350 1.00 0.00 O ATOM 314 OE2 GLU A 22 -0.388 -11.722 -2.362 1.00 0.00 O ATOM 0 H GLU A 22 3.851 -12.542 -5.127 1.00 0.00 H new ATOM 0 HA GLU A 22 1.339 -13.973 -4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.234 -11.102 -5.461 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.557 -11.567 -5.253 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.696 -12.044 -3.133 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.704 -10.600 -3.183 1.00 0.00 H new ATOM 321 N GLU A 23 1.825 -14.689 -7.383 1.00 0.00 N ATOM 322 CA GLU A 23 1.583 -15.199 -8.737 1.00 0.00 C ATOM 323 C GLU A 23 0.445 -14.453 -9.441 1.00 0.00 C ATOM 324 O GLU A 23 0.672 -13.752 -10.425 1.00 0.00 O ATOM 325 CB GLU A 23 1.286 -16.706 -8.671 1.00 0.00 C ATOM 326 CG GLU A 23 2.500 -17.515 -8.195 1.00 0.00 C ATOM 327 CD GLU A 23 2.217 -19.013 -8.248 1.00 0.00 C ATOM 328 OE1 GLU A 23 1.430 -19.471 -7.393 1.00 0.00 O ATOM 329 OE2 GLU A 23 2.784 -19.669 -9.149 1.00 0.00 O ATOM 0 H GLU A 23 2.291 -15.387 -6.804 1.00 0.00 H new ATOM 0 HA GLU A 23 2.483 -15.029 -9.328 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.448 -16.880 -7.996 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.980 -17.058 -9.656 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.363 -17.283 -8.819 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.756 -17.226 -7.176 1.00 0.00 H new ATOM 336 N HIS A 24 -0.777 -14.615 -8.928 1.00 0.00 N ATOM 337 CA HIS A 24 -1.959 -13.906 -9.384 1.00 0.00 C ATOM 338 C HIS A 24 -2.658 -13.389 -8.131 1.00 0.00 C ATOM 339 O HIS A 24 -3.782 -13.773 -7.826 1.00 0.00 O ATOM 340 CB HIS A 24 -2.854 -14.826 -10.226 1.00 0.00 C ATOM 341 CG HIS A 24 -4.034 -14.119 -10.856 1.00 0.00 C ATOM 342 ND1 HIS A 24 -3.976 -13.635 -12.164 1.00 0.00 N ATOM 343 CD2 HIS A 24 -5.272 -13.833 -10.341 1.00 0.00 C ATOM 344 CE1 HIS A 24 -5.190 -13.127 -12.401 1.00 0.00 C ATOM 345 NE2 HIS A 24 -6.000 -13.212 -11.334 1.00 0.00 N ATOM 0 H HIS A 24 -0.969 -15.262 -8.163 1.00 0.00 H new ATOM 0 HA HIS A 24 -1.706 -13.072 -10.038 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -2.253 -15.282 -11.013 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -3.222 -15.636 -9.596 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.614 -14.054 -9.341 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -5.486 -12.696 -13.346 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -6.963 -12.883 -11.270 1.00 0.00 H new ATOM 353 N LYS A 25 -1.956 -12.569 -7.349 1.00 0.00 N ATOM 354 CA LYS A 25 -2.514 -11.937 -6.164 1.00 0.00 C ATOM 355 C LYS A 25 -2.076 -10.469 -6.199 1.00 0.00 C ATOM 356 O LYS A 25 -0.969 -10.173 -6.653 1.00 0.00 O ATOM 357 CB LYS A 25 -2.077 -12.676 -4.898 1.00 0.00 C ATOM 358 CG LYS A 25 -2.836 -13.996 -4.756 1.00 0.00 C ATOM 359 CD LYS A 25 -2.404 -14.709 -3.473 1.00 0.00 C ATOM 360 CE LYS A 25 -3.146 -16.041 -3.333 1.00 0.00 C ATOM 361 NZ LYS A 25 -4.585 -15.847 -3.083 1.00 0.00 N ATOM 0 H LYS A 25 -0.981 -12.326 -7.524 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.603 -11.983 -6.153 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.005 -12.869 -4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.258 -12.050 -4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.909 -13.808 -4.734 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.641 -14.632 -5.619 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.328 -14.884 -3.490 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.611 -14.077 -2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.012 -16.628 -4.241 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.710 -16.615 -2.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.019 -16.757 -2.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.714 -15.171 -2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.040 -15.476 -3.942 1.00 0.00 H new ATOM 375 N PRO A 26 -2.939 -9.532 -5.785 1.00 0.00 N ATOM 376 CA PRO A 26 -2.672 -8.114 -5.920 1.00 0.00 C ATOM 377 C PRO A 26 -1.695 -7.551 -4.887 1.00 0.00 C ATOM 378 O PRO A 26 -2.025 -7.434 -3.703 1.00 0.00 O ATOM 379 CB PRO A 26 -4.050 -7.448 -5.823 1.00 0.00 C ATOM 380 CG PRO A 26 -4.849 -8.400 -4.935 1.00 0.00 C ATOM 381 CD PRO A 26 -4.306 -9.768 -5.346 1.00 0.00 C ATOM 0 HA PRO A 26 -2.168 -7.914 -6.865 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.984 -6.452 -5.385 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.510 -7.334 -6.805 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.686 -8.200 -3.876 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.921 -8.318 -5.114 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.334 -10.468 -4.511 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.905 -10.203 -6.146 1.00 0.00 H new ATOM 389 N ILE A 27 -0.499 -7.165 -5.347 1.00 0.00 N ATOM 390 CA ILE A 27 0.419 -6.369 -4.550 1.00 0.00 C ATOM 391 C ILE A 27 0.062 -4.933 -4.933 1.00 0.00 C ATOM 392 O ILE A 27 0.473 -4.455 -5.990 1.00 0.00 O ATOM 393 CB ILE A 27 1.889 -6.716 -4.840 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.137 -8.204 -4.556 1.00 0.00 C ATOM 395 CG2 ILE A 27 2.812 -5.831 -3.985 1.00 0.00 C ATOM 396 CD1 ILE A 27 3.606 -8.608 -4.713 1.00 0.00 C ATOM 0 H ILE A 27 -0.150 -7.398 -6.277 1.00 0.00 H new ATOM 0 HA ILE A 27 0.321 -6.549 -3.479 1.00 0.00 H new ATOM 0 HB ILE A 27 2.109 -6.526 -5.891 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.809 -8.434 -3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.527 -8.804 -5.232 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.852 -6.081 -4.194 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.635 -4.783 -4.225 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.603 -6.001 -2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.716 -9.671 -4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.931 -8.408 -5.734 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.218 -8.033 -4.018 1.00 0.00 H new ATOM 408 N VAL A 28 -0.758 -4.268 -4.120 1.00 0.00 N ATOM 409 CA VAL A 28 -1.242 -2.928 -4.407 1.00 0.00 C ATOM 410 C VAL A 28 -0.252 -1.957 -3.789 1.00 0.00 C ATOM 411 O VAL A 28 -0.096 -1.909 -2.573 1.00 0.00 O ATOM 412 CB VAL A 28 -2.665 -2.722 -3.867 1.00 0.00 C ATOM 413 CG1 VAL A 28 -3.241 -1.420 -4.443 1.00 0.00 C ATOM 414 CG2 VAL A 28 -3.574 -3.883 -4.278 1.00 0.00 C ATOM 0 H VAL A 28 -1.104 -4.650 -3.240 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.308 -2.761 -5.482 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.619 -2.673 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.251 -1.269 -4.062 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.612 -0.581 -4.145 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.269 -1.484 -5.531 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.577 -3.717 -3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.616 -3.945 -5.365 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.177 -4.815 -3.877 1.00 0.00 H new ATOM 424 N VAL A 29 0.437 -1.192 -4.620 1.00 0.00 N ATOM 425 CA VAL A 29 1.474 -0.285 -4.188 1.00 0.00 C ATOM 426 C VAL A 29 0.957 1.140 -4.279 1.00 0.00 C ATOM 427 O VAL A 29 0.670 1.619 -5.374 1.00 0.00 O ATOM 428 CB VAL A 29 2.696 -0.521 -5.068 1.00 0.00 C ATOM 429 CG1 VAL A 29 3.779 0.514 -4.783 1.00 0.00 C ATOM 430 CG2 VAL A 29 3.213 -1.933 -4.788 1.00 0.00 C ATOM 0 H VAL A 29 0.285 -1.188 -5.629 1.00 0.00 H new ATOM 0 HA VAL A 29 1.759 -0.457 -3.150 1.00 0.00 H new ATOM 0 HB VAL A 29 2.423 -0.422 -6.118 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.641 0.325 -5.423 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.390 1.512 -4.984 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.081 0.446 -3.738 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.089 -2.129 -5.406 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.484 -2.019 -3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.434 -2.659 -5.022 1.00 0.00 H new ATOM 440 N ASP A 30 0.848 1.808 -3.131 1.00 0.00 N ATOM 441 CA ASP A 30 0.384 3.181 -3.058 1.00 0.00 C ATOM 442 C ASP A 30 1.587 4.111 -2.921 1.00 0.00 C ATOM 443 O ASP A 30 2.176 4.218 -1.845 1.00 0.00 O ATOM 444 CB ASP A 30 -0.585 3.337 -1.881 1.00 0.00 C ATOM 445 CG ASP A 30 -0.890 4.799 -1.583 1.00 0.00 C ATOM 446 OD1 ASP A 30 -0.780 5.606 -2.531 1.00 0.00 O ATOM 447 OD2 ASP A 30 -1.207 5.093 -0.411 1.00 0.00 O ATOM 0 H ASP A 30 1.082 1.404 -2.224 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.152 3.446 -3.969 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.513 2.811 -2.104 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.158 2.868 -0.995 1.00 0.00 H new ATOM 452 N PHE A 31 1.953 4.781 -4.012 1.00 0.00 N ATOM 453 CA PHE A 31 2.985 5.798 -4.001 1.00 0.00 C ATOM 454 C PHE A 31 2.279 7.127 -3.746 1.00 0.00 C ATOM 455 O PHE A 31 1.857 7.776 -4.702 1.00 0.00 O ATOM 456 CB PHE A 31 3.727 5.821 -5.341 1.00 0.00 C ATOM 457 CG PHE A 31 4.569 4.593 -5.624 1.00 0.00 C ATOM 458 CD1 PHE A 31 5.823 4.443 -5.003 1.00 0.00 C ATOM 459 CD2 PHE A 31 4.143 3.648 -6.575 1.00 0.00 C ATOM 460 CE1 PHE A 31 6.638 3.341 -5.316 1.00 0.00 C ATOM 461 CE2 PHE A 31 4.978 2.570 -6.916 1.00 0.00 C ATOM 462 CZ PHE A 31 6.212 2.398 -6.266 1.00 0.00 C ATOM 0 H PHE A 31 1.536 4.628 -4.930 1.00 0.00 H new ATOM 0 HA PHE A 31 3.729 5.600 -3.230 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.997 5.936 -6.142 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.371 6.700 -5.368 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.160 5.176 -4.285 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.175 3.751 -7.043 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.593 3.219 -4.826 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.670 1.872 -7.680 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.831 1.543 -6.496 1.00 0.00 H new ATOM 472 N THR A 32 2.136 7.519 -2.478 1.00 0.00 N ATOM 473 CA THR A 32 1.533 8.782 -2.060 1.00 0.00 C ATOM 474 C THR A 32 2.597 9.641 -1.380 1.00 0.00 C ATOM 475 O THR A 32 3.414 9.139 -0.608 1.00 0.00 O ATOM 476 CB THR A 32 0.332 8.518 -1.131 1.00 0.00 C ATOM 477 OG1 THR A 32 -0.788 8.170 -1.906 1.00 0.00 O ATOM 478 CG2 THR A 32 -0.089 9.741 -0.306 1.00 0.00 C ATOM 0 H THR A 32 2.447 6.948 -1.692 1.00 0.00 H new ATOM 0 HA THR A 32 1.156 9.322 -2.929 1.00 0.00 H new ATOM 0 HB THR A 32 0.653 7.726 -0.454 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.682 7.255 -2.241 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.940 9.480 0.324 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.743 10.060 0.322 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.370 10.553 -0.977 1.00 0.00 H new ATOM 486 N ALA A 33 2.575 10.947 -1.664 1.00 0.00 N ATOM 487 CA ALA A 33 3.488 11.914 -1.079 1.00 0.00 C ATOM 488 C ALA A 33 3.078 12.216 0.363 1.00 0.00 C ATOM 489 O ALA A 33 2.569 13.295 0.655 1.00 0.00 O ATOM 490 CB ALA A 33 3.515 13.187 -1.934 1.00 0.00 C ATOM 0 H ALA A 33 1.910 11.361 -2.317 1.00 0.00 H new ATOM 0 HA ALA A 33 4.496 11.499 -1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.201 13.909 -1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 33 3.849 12.941 -2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.514 13.617 -1.978 1.00 0.00 H new ATOM 496 N THR A 34 3.308 11.246 1.253 1.00 0.00 N ATOM 497 CA THR A 34 3.130 11.304 2.699 1.00 0.00 C ATOM 498 C THR A 34 3.235 12.724 3.270 1.00 0.00 C ATOM 499 O THR A 34 2.404 13.140 4.071 1.00 0.00 O ATOM 500 CB THR A 34 4.226 10.403 3.292 1.00 0.00 C ATOM 501 OG1 THR A 34 4.020 9.102 2.781 1.00 0.00 O ATOM 502 CG2 THR A 34 4.229 10.366 4.821 1.00 0.00 C ATOM 0 H THR A 34 3.649 10.332 0.954 1.00 0.00 H new ATOM 0 HA THR A 34 2.125 10.970 2.959 1.00 0.00 H new ATOM 0 HB THR A 34 5.196 10.810 3.006 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.286 8.441 3.453 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.028 9.711 5.168 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.390 11.372 5.209 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.271 9.989 5.178 1.00 0.00 H new ATOM 510 N TRP A 35 4.277 13.449 2.869 1.00 0.00 N ATOM 511 CA TRP A 35 4.602 14.782 3.347 1.00 0.00 C ATOM 512 C TRP A 35 3.466 15.804 3.231 1.00 0.00 C ATOM 513 O TRP A 35 3.329 16.641 4.123 1.00 0.00 O ATOM 514 CB TRP A 35 5.813 15.285 2.557 1.00 0.00 C ATOM 515 CG TRP A 35 6.786 16.122 3.309 1.00 0.00 C ATOM 516 CD1 TRP A 35 7.952 15.660 3.811 1.00 0.00 C ATOM 517 CD2 TRP A 35 6.729 17.539 3.643 1.00 0.00 C ATOM 518 NE1 TRP A 35 8.617 16.683 4.455 1.00 0.00 N ATOM 519 CE2 TRP A 35 7.906 17.867 4.380 1.00 0.00 C ATOM 520 CE3 TRP A 35 5.812 18.584 3.391 1.00 0.00 C ATOM 521 CZ2 TRP A 35 8.154 19.164 4.855 1.00 0.00 C ATOM 522 CZ3 TRP A 35 6.050 19.887 3.868 1.00 0.00 C ATOM 523 CH2 TRP A 35 7.216 20.178 4.599 1.00 0.00 C ATOM 0 H TRP A 35 4.941 13.106 2.175 1.00 0.00 H new ATOM 0 HA TRP A 35 4.804 14.692 4.414 1.00 0.00 H new ATOM 0 HB2 TRP A 35 6.343 14.421 2.155 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.451 15.862 1.706 1.00 0.00 H new ATOM 0 HD1 TRP A 35 8.309 14.645 3.722 1.00 0.00 H new ATOM 0 HE1 TRP A 35 9.516 16.580 4.925 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.916 18.380 2.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 9.055 19.380 5.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 5.332 20.669 3.671 1.00 0.00 H new ATOM 0 HH2 TRP A 35 7.390 21.180 4.963 1.00 0.00 H new ATOM 534 N CYS A 36 2.673 15.788 2.153 1.00 0.00 N ATOM 535 CA CYS A 36 1.684 16.844 1.914 1.00 0.00 C ATOM 536 C CYS A 36 0.431 16.695 2.783 1.00 0.00 C ATOM 537 O CYS A 36 -0.665 16.523 2.266 1.00 0.00 O ATOM 538 CB CYS A 36 1.360 16.989 0.414 1.00 0.00 C ATOM 539 SG CYS A 36 0.888 15.556 -0.598 1.00 0.00 S ATOM 0 H CYS A 36 2.697 15.061 1.438 1.00 0.00 H new ATOM 0 HA CYS A 36 2.142 17.781 2.229 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.550 17.714 0.333 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.236 17.435 -0.058 1.00 0.00 H new ATOM 544 N GLY A 37 0.601 16.861 4.101 1.00 0.00 N ATOM 545 CA GLY A 37 -0.403 16.841 5.166 1.00 0.00 C ATOM 546 C GLY A 37 -1.754 16.243 4.763 1.00 0.00 C ATOM 547 O GLY A 37 -1.930 15.044 4.945 1.00 0.00 O ATOM 0 H GLY A 37 1.533 17.028 4.481 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.007 16.274 6.009 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.563 17.861 5.515 1.00 0.00 H new ATOM 551 N PRO A 38 -2.708 17.035 4.235 1.00 0.00 N ATOM 552 CA PRO A 38 -4.016 16.554 3.800 1.00 0.00 C ATOM 553 C PRO A 38 -3.966 15.211 3.069 1.00 0.00 C ATOM 554 O PRO A 38 -4.756 14.317 3.362 1.00 0.00 O ATOM 555 CB PRO A 38 -4.575 17.666 2.909 1.00 0.00 C ATOM 556 CG PRO A 38 -3.989 18.922 3.549 1.00 0.00 C ATOM 557 CD PRO A 38 -2.598 18.467 3.995 1.00 0.00 C ATOM 0 HA PRO A 38 -4.653 16.353 4.661 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.259 17.553 1.872 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.665 17.679 2.911 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.935 19.748 2.840 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.591 19.264 4.391 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.853 18.679 3.228 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.285 18.992 4.898 1.00 0.00 H new ATOM 565 N CYS A 39 -3.013 15.066 2.144 1.00 0.00 N ATOM 566 CA CYS A 39 -2.762 13.866 1.349 1.00 0.00 C ATOM 567 C CYS A 39 -2.792 12.603 2.210 1.00 0.00 C ATOM 568 O CYS A 39 -3.308 11.569 1.784 1.00 0.00 O ATOM 569 CB CYS A 39 -1.385 13.976 0.686 1.00 0.00 C ATOM 570 SG CYS A 39 -1.180 15.311 -0.520 1.00 0.00 S ATOM 0 H CYS A 39 -2.365 15.821 1.920 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.549 13.792 0.598 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.638 14.104 1.469 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.168 13.030 0.190 1.00 0.00 H new ATOM 575 N LYS A 40 -2.243 12.689 3.427 1.00 0.00 N ATOM 576 CA LYS A 40 -2.178 11.583 4.368 1.00 0.00 C ATOM 577 C LYS A 40 -3.533 10.896 4.533 1.00 0.00 C ATOM 578 O LYS A 40 -3.554 9.682 4.709 1.00 0.00 O ATOM 579 CB LYS A 40 -1.682 12.075 5.736 1.00 0.00 C ATOM 580 CG LYS A 40 -0.225 12.558 5.714 1.00 0.00 C ATOM 581 CD LYS A 40 0.138 13.114 7.099 1.00 0.00 C ATOM 582 CE LYS A 40 1.553 13.703 7.152 1.00 0.00 C ATOM 583 NZ LYS A 40 2.585 12.694 6.864 1.00 0.00 N ATOM 0 H LYS A 40 -1.826 13.548 3.785 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.476 10.854 3.963 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.322 12.889 6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.779 11.268 6.462 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.440 11.735 5.452 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.095 13.328 4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.582 13.884 7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.053 12.318 7.839 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.633 14.518 6.433 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.730 14.131 8.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.474 12.963 7.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.274 11.768 7.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.738 12.637 5.837 1.00 0.00 H new ATOM 597 N MET A 41 -4.648 11.636 4.443 1.00 0.00 N ATOM 598 CA MET A 41 -6.001 11.112 4.636 1.00 0.00 C ATOM 599 C MET A 41 -6.308 9.904 3.742 1.00 0.00 C ATOM 600 O MET A 41 -7.159 9.083 4.081 1.00 0.00 O ATOM 601 CB MET A 41 -7.030 12.236 4.430 1.00 0.00 C ATOM 602 CG MET A 41 -7.285 12.636 2.963 1.00 0.00 C ATOM 603 SD MET A 41 -8.392 11.596 1.964 1.00 0.00 S ATOM 604 CE MET A 41 -9.909 11.644 2.945 1.00 0.00 C ATOM 0 H MET A 41 -4.630 12.633 4.230 1.00 0.00 H new ATOM 0 HA MET A 41 -6.068 10.748 5.661 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.976 11.926 4.874 1.00 0.00 H new ATOM 0 HB3 MET A 41 -6.695 13.117 4.977 1.00 0.00 H new ATOM 0 HG2 MET A 41 -7.688 13.649 2.960 1.00 0.00 H new ATOM 0 HG3 MET A 41 -6.320 12.676 2.457 1.00 0.00 H new ATOM 0 HE1 MET A 41 -10.754 11.352 2.322 1.00 0.00 H new ATOM 0 HE2 MET A 41 -9.821 10.954 3.785 1.00 0.00 H new ATOM 0 HE3 MET A 41 -10.068 12.655 3.321 1.00 0.00 H new ATOM 614 N ILE A 42 -5.613 9.780 2.610 1.00 0.00 N ATOM 615 CA ILE A 42 -5.812 8.673 1.690 1.00 0.00 C ATOM 616 C ILE A 42 -5.288 7.369 2.317 1.00 0.00 C ATOM 617 O ILE A 42 -5.888 6.304 2.159 1.00 0.00 O ATOM 618 CB ILE A 42 -5.091 9.009 0.369 1.00 0.00 C ATOM 619 CG1 ILE A 42 -5.658 10.303 -0.253 1.00 0.00 C ATOM 620 CG2 ILE A 42 -5.255 7.850 -0.622 1.00 0.00 C ATOM 621 CD1 ILE A 42 -4.745 10.881 -1.337 1.00 0.00 C ATOM 0 H ILE A 42 -4.900 10.445 2.311 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.872 8.525 1.484 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.033 9.161 0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.639 10.097 -0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.802 11.047 0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.744 8.093 -1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.824 6.944 -0.197 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.314 7.689 -0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.190 11.790 -1.741 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.771 11.115 -0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.622 10.151 -2.137 1.00 0.00 H new ATOM 633 N ALA A 43 -4.170 7.449 3.047 1.00 0.00 N ATOM 634 CA ALA A 43 -3.504 6.290 3.622 1.00 0.00 C ATOM 635 C ALA A 43 -4.399 5.461 4.562 1.00 0.00 C ATOM 636 O ALA A 43 -4.573 4.272 4.293 1.00 0.00 O ATOM 637 CB ALA A 43 -2.223 6.737 4.332 1.00 0.00 C ATOM 0 H ALA A 43 -3.703 8.332 3.253 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.258 5.621 2.797 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.724 5.869 4.763 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.559 7.219 3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.473 7.442 5.125 1.00 0.00 H new ATOM 643 N PRO A 44 -4.990 6.015 5.644 1.00 0.00 N ATOM 644 CA PRO A 44 -5.823 5.238 6.547 1.00 0.00 C ATOM 645 C PRO A 44 -6.995 4.605 5.809 1.00 0.00 C ATOM 646 O PRO A 44 -7.479 3.565 6.231 1.00 0.00 O ATOM 647 CB PRO A 44 -6.307 6.198 7.636 1.00 0.00 C ATOM 648 CG PRO A 44 -6.312 7.532 6.905 1.00 0.00 C ATOM 649 CD PRO A 44 -5.058 7.409 6.040 1.00 0.00 C ATOM 0 HA PRO A 44 -5.257 4.414 6.982 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.298 5.931 8.004 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.639 6.208 8.497 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.212 7.668 6.306 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.256 8.377 7.592 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.118 8.061 5.169 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.168 7.702 6.597 1.00 0.00 H new ATOM 657 N LEU A 45 -7.460 5.210 4.716 1.00 0.00 N ATOM 658 CA LEU A 45 -8.554 4.660 3.931 1.00 0.00 C ATOM 659 C LEU A 45 -8.078 3.475 3.099 1.00 0.00 C ATOM 660 O LEU A 45 -8.738 2.438 3.037 1.00 0.00 O ATOM 661 CB LEU A 45 -9.161 5.754 3.060 1.00 0.00 C ATOM 662 CG LEU A 45 -10.395 6.318 3.793 1.00 0.00 C ATOM 663 CD1 LEU A 45 -10.865 7.617 3.152 1.00 0.00 C ATOM 664 CD2 LEU A 45 -11.588 5.347 3.792 1.00 0.00 C ATOM 0 H LEU A 45 -7.089 6.089 4.355 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.329 4.290 4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.432 6.544 2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.446 5.352 2.088 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.070 6.483 4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.736 7.993 3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.065 8.355 3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.131 7.434 2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.426 5.800 4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.882 5.133 2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.303 4.420 4.289 1.00 0.00 H new ATOM 676 N PHE A 46 -6.923 3.614 2.456 1.00 0.00 N ATOM 677 CA PHE A 46 -6.312 2.489 1.764 1.00 0.00 C ATOM 678 C PHE A 46 -6.145 1.344 2.784 1.00 0.00 C ATOM 679 O PHE A 46 -6.428 0.189 2.476 1.00 0.00 O ATOM 680 CB PHE A 46 -5.012 2.986 1.129 1.00 0.00 C ATOM 681 CG PHE A 46 -4.094 1.937 0.522 1.00 0.00 C ATOM 682 CD1 PHE A 46 -4.544 1.162 -0.563 1.00 0.00 C ATOM 683 CD2 PHE A 46 -2.740 1.862 0.904 1.00 0.00 C ATOM 684 CE1 PHE A 46 -3.637 0.381 -1.303 1.00 0.00 C ATOM 685 CE2 PHE A 46 -1.836 1.070 0.168 1.00 0.00 C ATOM 686 CZ PHE A 46 -2.268 0.382 -0.982 1.00 0.00 C ATOM 0 H PHE A 46 -6.397 4.486 2.401 1.00 0.00 H new ATOM 0 HA PHE A 46 -6.918 2.089 0.951 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.269 3.703 0.349 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.450 3.529 1.889 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.591 1.167 -0.829 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.393 2.414 1.765 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.995 -0.223 -2.123 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.807 0.990 0.487 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.558 -0.137 -1.609 1.00 0.00 H new ATOM 696 N GLU A 47 -5.773 1.672 4.028 1.00 0.00 N ATOM 697 CA GLU A 47 -5.695 0.711 5.119 1.00 0.00 C ATOM 698 C GLU A 47 -7.089 0.244 5.556 1.00 0.00 C ATOM 699 O GLU A 47 -7.243 -0.917 5.911 1.00 0.00 O ATOM 700 CB GLU A 47 -4.892 1.323 6.270 1.00 0.00 C ATOM 701 CG GLU A 47 -3.436 1.613 5.865 1.00 0.00 C ATOM 702 CD GLU A 47 -2.729 2.491 6.893 1.00 0.00 C ATOM 703 OE1 GLU A 47 -2.341 1.934 7.942 1.00 0.00 O ATOM 704 OE2 GLU A 47 -2.591 3.703 6.613 1.00 0.00 O ATOM 0 H GLU A 47 -5.517 2.621 4.301 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.176 -0.185 4.778 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.369 2.248 6.594 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.903 0.643 7.122 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.895 0.673 5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.420 2.106 4.893 1.00 0.00 H new ATOM 711 N THR A 48 -8.120 1.091 5.520 1.00 0.00 N ATOM 712 CA THR A 48 -9.492 0.693 5.836 1.00 0.00 C ATOM 713 C THR A 48 -9.861 -0.485 4.928 1.00 0.00 C ATOM 714 O THR A 48 -10.354 -1.499 5.413 1.00 0.00 O ATOM 715 CB THR A 48 -10.440 1.899 5.681 1.00 0.00 C ATOM 716 OG1 THR A 48 -10.097 2.879 6.637 1.00 0.00 O ATOM 717 CG2 THR A 48 -11.921 1.593 5.884 1.00 0.00 C ATOM 0 H THR A 48 -8.026 2.075 5.270 1.00 0.00 H new ATOM 0 HA THR A 48 -9.586 0.368 6.872 1.00 0.00 H new ATOM 0 HB THR A 48 -10.312 2.226 4.649 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.220 3.257 6.418 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.502 2.506 5.754 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.243 0.851 5.154 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.078 1.204 6.890 1.00 0.00 H new ATOM 725 N LEU A 49 -9.535 -0.403 3.631 1.00 0.00 N ATOM 726 CA LEU A 49 -9.795 -1.508 2.711 1.00 0.00 C ATOM 727 C LEU A 49 -9.060 -2.797 3.119 1.00 0.00 C ATOM 728 O LEU A 49 -9.451 -3.870 2.665 1.00 0.00 O ATOM 729 CB LEU A 49 -9.461 -1.109 1.266 1.00 0.00 C ATOM 730 CG LEU A 49 -10.554 -0.268 0.591 1.00 0.00 C ATOM 731 CD1 LEU A 49 -10.056 0.194 -0.784 1.00 0.00 C ATOM 732 CD2 LEU A 49 -11.881 -1.021 0.425 1.00 0.00 C ATOM 0 H LEU A 49 -9.095 0.411 3.202 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.861 -1.726 2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.527 -0.547 1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.294 -2.012 0.678 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.752 0.583 1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -10.828 0.792 -1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.155 0.795 -0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.831 -0.676 -1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.610 -0.371 -0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -11.722 -1.907 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.254 -1.320 1.404 1.00 0.00 H new ATOM 744 N SER A 50 -8.025 -2.745 3.970 1.00 0.00 N ATOM 745 CA SER A 50 -7.415 -3.974 4.478 1.00 0.00 C ATOM 746 C SER A 50 -8.460 -4.783 5.207 1.00 0.00 C ATOM 747 O SER A 50 -8.422 -6.013 5.189 1.00 0.00 O ATOM 748 CB SER A 50 -6.298 -3.708 5.498 1.00 0.00 C ATOM 749 OG SER A 50 -6.742 -3.382 6.800 1.00 0.00 O ATOM 0 H SER A 50 -7.602 -1.882 4.313 1.00 0.00 H new ATOM 0 HA SER A 50 -7.001 -4.491 3.612 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.663 -4.592 5.558 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.676 -2.893 5.128 1.00 0.00 H new ATOM 0 HG SER A 50 -7.027 -2.445 6.823 1.00 0.00 H new ATOM 755 N ASN A 51 -9.328 -4.066 5.925 1.00 0.00 N ATOM 756 CA ASN A 51 -10.321 -4.707 6.744 1.00 0.00 C ATOM 757 C ASN A 51 -11.239 -5.513 5.835 1.00 0.00 C ATOM 758 O ASN A 51 -11.481 -6.690 6.080 1.00 0.00 O ATOM 759 CB ASN A 51 -11.118 -3.691 7.565 1.00 0.00 C ATOM 760 CG ASN A 51 -12.106 -4.425 8.461 1.00 0.00 C ATOM 761 OD1 ASN A 51 -11.716 -4.995 9.474 1.00 0.00 O ATOM 762 ND2 ASN A 51 -13.384 -4.439 8.093 1.00 0.00 N ATOM 0 H ASN A 51 -9.352 -3.046 5.946 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.829 -5.366 7.459 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.442 -3.086 8.170 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -11.650 -3.009 6.902 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -14.072 -4.934 8.660 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -13.676 -3.954 7.244 1.00 0.00 H new ATOM 769 N ASP A 52 -11.714 -4.859 4.771 1.00 0.00 N ATOM 770 CA ASP A 52 -12.542 -5.467 3.744 1.00 0.00 C ATOM 771 C ASP A 52 -11.815 -6.683 3.178 1.00 0.00 C ATOM 772 O ASP A 52 -12.297 -7.811 3.257 1.00 0.00 O ATOM 773 CB ASP A 52 -12.816 -4.465 2.607 1.00 0.00 C ATOM 774 CG ASP A 52 -13.574 -3.225 3.069 1.00 0.00 C ATOM 775 OD1 ASP A 52 -13.041 -2.531 3.961 1.00 0.00 O ATOM 776 OD2 ASP A 52 -14.664 -2.983 2.506 1.00 0.00 O ATOM 0 H ASP A 52 -11.525 -3.871 4.603 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.493 -5.765 4.185 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.868 -4.159 2.164 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.388 -4.962 1.824 1.00 0.00 H new ATOM 781 N TYR A 53 -10.626 -6.458 2.616 1.00 0.00 N ATOM 782 CA TYR A 53 -9.860 -7.498 1.973 1.00 0.00 C ATOM 783 C TYR A 53 -8.979 -8.194 3.001 1.00 0.00 C ATOM 784 O TYR A 53 -7.750 -8.150 2.938 1.00 0.00 O ATOM 785 CB TYR A 53 -9.098 -6.867 0.811 1.00 0.00 C ATOM 786 CG TYR A 53 -10.030 -6.347 -0.267 1.00 0.00 C ATOM 787 CD1 TYR A 53 -10.751 -7.267 -1.048 1.00 0.00 C ATOM 788 CD2 TYR A 53 -10.227 -4.967 -0.461 1.00 0.00 C ATOM 789 CE1 TYR A 53 -11.634 -6.817 -2.041 1.00 0.00 C ATOM 790 CE2 TYR A 53 -11.060 -4.518 -1.500 1.00 0.00 C ATOM 791 CZ TYR A 53 -11.773 -5.443 -2.282 1.00 0.00 C ATOM 792 OH TYR A 53 -12.602 -5.025 -3.277 1.00 0.00 O ATOM 0 H TYR A 53 -10.176 -5.543 2.600 1.00 0.00 H new ATOM 0 HA TYR A 53 -10.493 -8.282 1.557 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -8.483 -6.048 1.184 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.421 -7.604 0.379 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -10.624 -8.327 -0.883 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -9.739 -4.254 0.187 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -12.206 -7.528 -2.619 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -11.152 -3.460 -1.698 1.00 0.00 H new ATOM 0 HH TYR A 53 -12.119 -4.411 -3.869 1.00 0.00 H new ATOM 802 N ALA A 54 -9.638 -8.864 3.947 1.00 0.00 N ATOM 803 CA ALA A 54 -8.992 -9.655 4.981 1.00 0.00 C ATOM 804 C ALA A 54 -8.431 -10.940 4.361 1.00 0.00 C ATOM 805 O ALA A 54 -8.916 -12.033 4.645 1.00 0.00 O ATOM 806 CB ALA A 54 -10.002 -9.952 6.094 1.00 0.00 C ATOM 0 H ALA A 54 -10.656 -8.869 4.012 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.160 -9.105 5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.522 -10.545 6.872 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.359 -9.015 6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.845 -10.508 5.682 1.00 0.00 H new ATOM 812 N GLY A 55 -7.413 -10.814 3.507 1.00 0.00 N ATOM 813 CA GLY A 55 -6.815 -11.947 2.823 1.00 0.00 C ATOM 814 C GLY A 55 -5.426 -11.620 2.282 1.00 0.00 C ATOM 815 O GLY A 55 -4.824 -10.604 2.631 1.00 0.00 O ATOM 0 H GLY A 55 -6.984 -9.918 3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.747 -12.791 3.510 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.461 -12.256 2.001 1.00 0.00 H new ATOM 819 N LYS A 56 -4.931 -12.495 1.402 1.00 0.00 N ATOM 820 CA LYS A 56 -3.614 -12.436 0.795 1.00 0.00 C ATOM 821 C LYS A 56 -3.577 -11.399 -0.327 1.00 0.00 C ATOM 822 O LYS A 56 -3.410 -11.725 -1.501 1.00 0.00 O ATOM 823 CB LYS A 56 -3.238 -13.835 0.290 1.00 0.00 C ATOM 824 CG LYS A 56 -3.099 -14.837 1.443 1.00 0.00 C ATOM 825 CD LYS A 56 -2.658 -16.201 0.893 1.00 0.00 C ATOM 826 CE LYS A 56 -2.522 -17.248 2.005 1.00 0.00 C ATOM 827 NZ LYS A 56 -1.461 -16.898 2.968 1.00 0.00 N ATOM 0 H LYS A 56 -5.470 -13.300 1.083 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.880 -12.121 1.537 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.998 -14.186 -0.408 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.299 -13.783 -0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.370 -14.473 2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.049 -14.936 1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.382 -16.547 0.155 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.704 -16.093 0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.472 -17.343 2.531 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.304 -18.220 1.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.310 -17.692 3.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.578 -16.699 2.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.745 -16.055 3.507 1.00 0.00 H new ATOM 841 N VAL A 57 -3.766 -10.143 0.060 1.00 0.00 N ATOM 842 CA VAL A 57 -3.609 -8.966 -0.782 1.00 0.00 C ATOM 843 C VAL A 57 -2.482 -8.175 -0.123 1.00 0.00 C ATOM 844 O VAL A 57 -2.504 -8.036 1.101 1.00 0.00 O ATOM 845 CB VAL A 57 -4.926 -8.176 -0.880 1.00 0.00 C ATOM 846 CG1 VAL A 57 -6.055 -9.070 -1.411 1.00 0.00 C ATOM 847 CG2 VAL A 57 -5.375 -7.546 0.447 1.00 0.00 C ATOM 0 H VAL A 57 -4.045 -9.908 1.012 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.363 -9.209 -1.816 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.721 -7.360 -1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.978 -8.493 -1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.791 -9.440 -2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.199 -9.913 -0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.310 -7.007 0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.524 -8.330 1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.610 -6.854 0.798 1.00 0.00 H new ATOM 857 N ILE A 58 -1.471 -7.714 -0.870 1.00 0.00 N ATOM 858 CA ILE A 58 -0.338 -7.036 -0.236 1.00 0.00 C ATOM 859 C ILE A 58 -0.457 -5.534 -0.503 1.00 0.00 C ATOM 860 O ILE A 58 -0.069 -5.074 -1.575 1.00 0.00 O ATOM 861 CB ILE A 58 1.014 -7.602 -0.718 1.00 0.00 C ATOM 862 CG1 ILE A 58 1.050 -9.133 -0.876 1.00 0.00 C ATOM 863 CG2 ILE A 58 2.120 -7.162 0.250 1.00 0.00 C ATOM 864 CD1 ILE A 58 0.678 -9.950 0.363 1.00 0.00 C ATOM 0 H ILE A 58 -1.415 -7.795 -1.885 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.367 -7.213 0.839 1.00 0.00 H new ATOM 0 HB ILE A 58 1.171 -7.197 -1.718 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.373 -9.410 -1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.054 -9.422 -1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.077 -7.560 -0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.168 -6.073 0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.901 -7.540 1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.739 -11.013 0.130 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.368 -9.716 1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.339 -9.704 0.669 1.00 0.00 H new ATOM 876 N PHE A 59 -1.016 -4.755 0.428 1.00 0.00 N ATOM 877 CA PHE A 59 -1.107 -3.307 0.225 1.00 0.00 C ATOM 878 C PHE A 59 0.144 -2.667 0.833 1.00 0.00 C ATOM 879 O PHE A 59 0.339 -2.711 2.048 1.00 0.00 O ATOM 880 CB PHE A 59 -2.346 -2.685 0.865 1.00 0.00 C ATOM 881 CG PHE A 59 -3.730 -2.974 0.314 1.00 0.00 C ATOM 882 CD1 PHE A 59 -4.010 -4.066 -0.532 1.00 0.00 C ATOM 883 CD2 PHE A 59 -4.795 -2.212 0.828 1.00 0.00 C ATOM 884 CE1 PHE A 59 -5.347 -4.424 -0.794 1.00 0.00 C ATOM 885 CE2 PHE A 59 -6.120 -2.625 0.639 1.00 0.00 C ATOM 886 CZ PHE A 59 -6.400 -3.748 -0.154 1.00 0.00 C ATOM 0 H PHE A 59 -1.404 -5.092 1.309 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.183 -3.124 -0.847 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.349 -2.983 1.913 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.211 -1.604 0.841 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.202 -4.627 -0.978 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.589 -1.302 1.372 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.564 -5.221 -1.490 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.927 -2.078 1.104 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.417 -4.091 -0.272 1.00 0.00 H new ATOM 896 N LEU A 60 0.978 -2.062 -0.009 1.00 0.00 N ATOM 897 CA LEU A 60 2.228 -1.424 0.368 1.00 0.00 C ATOM 898 C LEU A 60 2.148 0.081 0.112 1.00 0.00 C ATOM 899 O LEU A 60 2.315 0.510 -1.031 1.00 0.00 O ATOM 900 CB LEU A 60 3.357 -2.027 -0.487 1.00 0.00 C ATOM 901 CG LEU A 60 3.623 -3.523 -0.264 1.00 0.00 C ATOM 902 CD1 LEU A 60 4.687 -4.004 -1.258 1.00 0.00 C ATOM 903 CD2 LEU A 60 4.108 -3.826 1.157 1.00 0.00 C ATOM 0 H LEU A 60 0.791 -2.003 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 60 2.421 -1.590 1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.117 -1.871 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.276 -1.477 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 60 2.678 -4.045 -0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.878 -5.066 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.332 -3.845 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.609 -3.443 -1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.281 -4.897 1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.037 -3.288 1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.352 -3.509 1.875 1.00 0.00 H new ATOM 915 N LYS A 61 1.880 0.903 1.132 1.00 0.00 N ATOM 916 CA LYS A 61 1.995 2.345 0.921 1.00 0.00 C ATOM 917 C LYS A 61 3.479 2.675 1.020 1.00 0.00 C ATOM 918 O LYS A 61 4.064 2.529 2.092 1.00 0.00 O ATOM 919 CB LYS A 61 1.141 3.164 1.901 1.00 0.00 C ATOM 920 CG LYS A 61 1.525 4.653 1.833 1.00 0.00 C ATOM 921 CD LYS A 61 0.661 5.518 2.756 1.00 0.00 C ATOM 922 CE LYS A 61 1.404 6.807 3.140 1.00 0.00 C ATOM 923 NZ LYS A 61 1.748 7.620 1.963 1.00 0.00 N ATOM 0 H LYS A 61 1.596 0.612 2.067 1.00 0.00 H new ATOM 0 HA LYS A 61 1.602 2.619 -0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.085 3.043 1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.282 2.791 2.916 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.574 4.769 2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.423 5.006 0.807 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.276 5.767 2.258 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.406 4.957 3.655 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.784 7.394 3.817 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.314 6.552 3.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.549 8.242 2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.010 6.995 1.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.928 8.198 1.689 1.00 0.00 H new ATOM 937 N VAL A 62 4.084 3.104 -0.088 1.00 0.00 N ATOM 938 CA VAL A 62 5.486 3.479 -0.120 1.00 0.00 C ATOM 939 C VAL A 62 5.581 4.966 0.191 1.00 0.00 C ATOM 940 O VAL A 62 4.991 5.787 -0.514 1.00 0.00 O ATOM 941 CB VAL A 62 6.115 3.160 -1.487 1.00 0.00 C ATOM 942 CG1 VAL A 62 7.559 3.688 -1.545 1.00 0.00 C ATOM 943 CG2 VAL A 62 6.144 1.644 -1.704 1.00 0.00 C ATOM 0 H VAL A 62 3.610 3.199 -0.986 1.00 0.00 H new ATOM 0 HA VAL A 62 6.041 2.906 0.623 1.00 0.00 H new ATOM 0 HB VAL A 62 5.516 3.639 -2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.993 3.456 -2.518 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.558 4.768 -1.397 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.151 3.215 -0.762 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.590 1.424 -2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.735 1.175 -0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.127 1.253 -1.676 1.00 0.00 H new ATOM 953 N ASP A 63 6.327 5.322 1.239 1.00 0.00 N ATOM 954 CA ASP A 63 6.557 6.719 1.576 1.00 0.00 C ATOM 955 C ASP A 63 7.465 7.337 0.507 1.00 0.00 C ATOM 956 O ASP A 63 8.686 7.374 0.665 1.00 0.00 O ATOM 957 CB ASP A 63 7.173 6.840 2.977 1.00 0.00 C ATOM 958 CG ASP A 63 6.198 6.423 4.073 1.00 0.00 C ATOM 959 OD1 ASP A 63 5.172 7.125 4.207 1.00 0.00 O ATOM 960 OD2 ASP A 63 6.497 5.422 4.758 1.00 0.00 O ATOM 0 H ASP A 63 6.780 4.658 1.866 1.00 0.00 H new ATOM 0 HA ASP A 63 5.611 7.260 1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.067 6.220 3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.488 7.870 3.146 1.00 0.00 H new ATOM 965 N VAL A 64 6.850 7.817 -0.580 1.00 0.00 N ATOM 966 CA VAL A 64 7.485 8.466 -1.727 1.00 0.00 C ATOM 967 C VAL A 64 8.576 9.435 -1.267 1.00 0.00 C ATOM 968 O VAL A 64 9.704 9.392 -1.748 1.00 0.00 O ATOM 969 CB VAL A 64 6.405 9.219 -2.535 1.00 0.00 C ATOM 970 CG1 VAL A 64 6.986 10.115 -3.638 1.00 0.00 C ATOM 971 CG2 VAL A 64 5.422 8.244 -3.191 1.00 0.00 C ATOM 0 H VAL A 64 5.837 7.758 -0.686 1.00 0.00 H new ATOM 0 HA VAL A 64 7.955 7.709 -2.355 1.00 0.00 H new ATOM 0 HB VAL A 64 5.896 9.850 -1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.174 10.614 -4.167 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.642 10.862 -3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.555 9.505 -4.340 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.674 8.804 -3.752 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.963 7.582 -3.867 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.929 7.651 -2.421 1.00 0.00 H new ATOM 981 N ASP A 65 8.221 10.309 -0.324 1.00 0.00 N ATOM 982 CA ASP A 65 9.099 11.339 0.220 1.00 0.00 C ATOM 983 C ASP A 65 10.384 10.753 0.803 1.00 0.00 C ATOM 984 O ASP A 65 11.417 11.418 0.788 1.00 0.00 O ATOM 985 CB ASP A 65 8.331 12.133 1.271 1.00 0.00 C ATOM 986 CG ASP A 65 7.065 12.705 0.651 1.00 0.00 C ATOM 987 OD1 ASP A 65 7.190 13.630 -0.179 1.00 0.00 O ATOM 988 OD2 ASP A 65 5.987 12.196 1.021 1.00 0.00 O ATOM 0 H ASP A 65 7.290 10.318 0.092 1.00 0.00 H new ATOM 0 HA ASP A 65 9.406 12.000 -0.591 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.077 11.490 2.114 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.954 12.938 1.660 1.00 0.00 H new ATOM 993 N ALA A 66 10.323 9.530 1.338 1.00 0.00 N ATOM 994 CA ALA A 66 11.489 8.856 1.875 1.00 0.00 C ATOM 995 C ALA A 66 12.213 8.156 0.727 1.00 0.00 C ATOM 996 O ALA A 66 13.281 8.601 0.306 1.00 0.00 O ATOM 997 CB ALA A 66 11.069 7.876 2.977 1.00 0.00 C ATOM 0 H ALA A 66 9.462 8.988 1.407 1.00 0.00 H new ATOM 0 HA ALA A 66 12.172 9.572 2.332 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.952 7.375 3.374 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.570 8.421 3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.386 7.134 2.563 1.00 0.00 H new ATOM 1003 N VAL A 67 11.637 7.082 0.177 1.00 0.00 N ATOM 1004 CA VAL A 67 12.306 6.335 -0.885 1.00 0.00 C ATOM 1005 C VAL A 67 11.989 6.929 -2.257 1.00 0.00 C ATOM 1006 O VAL A 67 11.489 6.253 -3.161 1.00 0.00 O ATOM 1007 CB VAL A 67 12.039 4.829 -0.778 1.00 0.00 C ATOM 1008 CG1 VAL A 67 12.787 4.250 0.429 1.00 0.00 C ATOM 1009 CG2 VAL A 67 10.558 4.459 -0.733 1.00 0.00 C ATOM 0 H VAL A 67 10.723 6.717 0.446 1.00 0.00 H new ATOM 0 HA VAL A 67 13.383 6.440 -0.756 1.00 0.00 H new ATOM 0 HB VAL A 67 12.418 4.383 -1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.592 3.180 0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.857 4.417 0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.444 4.741 1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.456 3.376 -0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.092 4.929 0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.068 4.807 -1.642 1.00 0.00 H new ATOM 1019 N ALA A 68 12.389 8.191 -2.431 1.00 0.00 N ATOM 1020 CA ALA A 68 12.235 8.918 -3.683 1.00 0.00 C ATOM 1021 C ALA A 68 12.822 8.098 -4.834 1.00 0.00 C ATOM 1022 O ALA A 68 12.238 8.029 -5.909 1.00 0.00 O ATOM 1023 CB ALA A 68 12.926 10.278 -3.568 1.00 0.00 C ATOM 0 H ALA A 68 12.834 8.739 -1.694 1.00 0.00 H new ATOM 0 HA ALA A 68 11.177 9.082 -3.889 1.00 0.00 H new ATOM 0 HB1 ALA A 68 12.812 10.824 -4.504 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.473 10.849 -2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.986 10.131 -3.360 1.00 0.00 H new ATOM 1029 N ALA A 69 13.958 7.438 -4.590 1.00 0.00 N ATOM 1030 CA ALA A 69 14.625 6.593 -5.570 1.00 0.00 C ATOM 1031 C ALA A 69 13.713 5.459 -6.056 1.00 0.00 C ATOM 1032 O ALA A 69 13.701 5.154 -7.246 1.00 0.00 O ATOM 1033 CB ALA A 69 15.900 6.018 -4.948 1.00 0.00 C ATOM 0 H ALA A 69 14.442 7.480 -3.693 1.00 0.00 H new ATOM 0 HA ALA A 69 14.875 7.202 -6.439 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.406 5.384 -5.676 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.562 6.833 -4.655 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.642 5.427 -4.069 1.00 0.00 H new ATOM 1039 N VAL A 70 12.957 4.826 -5.150 1.00 0.00 N ATOM 1040 CA VAL A 70 12.065 3.730 -5.519 1.00 0.00 C ATOM 1041 C VAL A 70 10.950 4.298 -6.386 1.00 0.00 C ATOM 1042 O VAL A 70 10.636 3.743 -7.437 1.00 0.00 O ATOM 1043 CB VAL A 70 11.514 3.021 -4.273 1.00 0.00 C ATOM 1044 CG1 VAL A 70 10.530 1.904 -4.644 1.00 0.00 C ATOM 1045 CG2 VAL A 70 12.666 2.382 -3.494 1.00 0.00 C ATOM 0 H VAL A 70 12.948 5.057 -4.157 1.00 0.00 H new ATOM 0 HA VAL A 70 12.613 2.975 -6.083 1.00 0.00 H new ATOM 0 HB VAL A 70 10.998 3.772 -3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.162 1.426 -3.736 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.691 2.327 -5.197 1.00 0.00 H new ATOM 0 HG13 VAL A 70 11.036 1.164 -5.264 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.273 1.879 -2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 70 13.175 1.656 -4.128 1.00 0.00 H new ATOM 0 HG23 VAL A 70 13.371 3.155 -3.188 1.00 0.00 H new ATOM 1055 N ALA A 71 10.360 5.411 -5.943 1.00 0.00 N ATOM 1056 CA ALA A 71 9.321 6.093 -6.707 1.00 0.00 C ATOM 1057 C ALA A 71 9.842 6.385 -8.124 1.00 0.00 C ATOM 1058 O ALA A 71 9.185 6.064 -9.115 1.00 0.00 O ATOM 1059 CB ALA A 71 8.897 7.368 -5.969 1.00 0.00 C ATOM 0 H ALA A 71 10.588 5.858 -5.055 1.00 0.00 H new ATOM 0 HA ALA A 71 8.438 5.461 -6.802 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.121 7.878 -6.540 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.511 7.107 -4.984 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.758 8.027 -5.858 1.00 0.00 H new ATOM 1065 N GLU A 72 11.045 6.962 -8.218 1.00 0.00 N ATOM 1066 CA GLU A 72 11.715 7.251 -9.475 1.00 0.00 C ATOM 1067 C GLU A 72 11.824 5.985 -10.326 1.00 0.00 C ATOM 1068 O GLU A 72 11.364 5.964 -11.464 1.00 0.00 O ATOM 1069 CB GLU A 72 13.114 7.829 -9.195 1.00 0.00 C ATOM 1070 CG GLU A 72 13.308 9.114 -9.993 1.00 0.00 C ATOM 1071 CD GLU A 72 14.679 9.731 -9.735 1.00 0.00 C ATOM 1072 OE1 GLU A 72 14.885 10.193 -8.592 1.00 0.00 O ATOM 1073 OE2 GLU A 72 15.497 9.718 -10.679 1.00 0.00 O ATOM 0 H GLU A 72 11.585 7.244 -7.400 1.00 0.00 H new ATOM 0 HA GLU A 72 11.129 7.985 -10.028 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.228 8.030 -8.130 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.879 7.102 -9.466 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.197 8.903 -11.057 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.530 9.830 -9.727 1.00 0.00 H new ATOM 1080 N ALA A 73 12.424 4.929 -9.771 1.00 0.00 N ATOM 1081 CA ALA A 73 12.622 3.668 -10.473 1.00 0.00 C ATOM 1082 C ALA A 73 11.292 3.111 -10.989 1.00 0.00 C ATOM 1083 O ALA A 73 11.216 2.622 -12.113 1.00 0.00 O ATOM 1084 CB ALA A 73 13.306 2.666 -9.538 1.00 0.00 C ATOM 0 H ALA A 73 12.786 4.929 -8.817 1.00 0.00 H new ATOM 0 HA ALA A 73 13.261 3.842 -11.339 1.00 0.00 H new ATOM 0 HB1 ALA A 73 13.455 1.722 -10.062 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.271 3.062 -9.224 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.679 2.500 -8.662 1.00 0.00 H new ATOM 1090 N ALA A 74 10.240 3.194 -10.170 1.00 0.00 N ATOM 1091 CA ALA A 74 8.905 2.740 -10.532 1.00 0.00 C ATOM 1092 C ALA A 74 8.245 3.673 -11.564 1.00 0.00 C ATOM 1093 O ALA A 74 7.186 3.343 -12.094 1.00 0.00 O ATOM 1094 CB ALA A 74 8.071 2.611 -9.253 1.00 0.00 C ATOM 0 H ALA A 74 10.297 3.583 -9.229 1.00 0.00 H new ATOM 0 HA ALA A 74 8.970 1.765 -11.015 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.067 2.271 -9.506 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.540 1.890 -8.584 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.012 3.580 -8.758 1.00 0.00 H new ATOM 1100 N GLY A 75 8.845 4.830 -11.867 1.00 0.00 N ATOM 1101 CA GLY A 75 8.364 5.762 -12.876 1.00 0.00 C ATOM 1102 C GLY A 75 7.276 6.696 -12.351 1.00 0.00 C ATOM 1103 O GLY A 75 6.418 7.131 -13.118 1.00 0.00 O ATOM 0 H GLY A 75 9.697 5.145 -11.403 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.201 6.357 -13.242 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.975 5.201 -13.726 1.00 0.00 H new ATOM 1107 N ILE A 76 7.299 7.028 -11.058 1.00 0.00 N ATOM 1108 CA ILE A 76 6.322 7.946 -10.484 1.00 0.00 C ATOM 1109 C ILE A 76 6.773 9.369 -10.812 1.00 0.00 C ATOM 1110 O ILE A 76 7.844 9.796 -10.387 1.00 0.00 O ATOM 1111 CB ILE A 76 6.186 7.704 -8.969 1.00 0.00 C ATOM 1112 CG1 ILE A 76 5.224 6.541 -8.685 1.00 0.00 C ATOM 1113 CG2 ILE A 76 5.627 8.925 -8.220 1.00 0.00 C ATOM 1114 CD1 ILE A 76 5.551 5.259 -9.447 1.00 0.00 C ATOM 0 H ILE A 76 7.985 6.673 -10.392 1.00 0.00 H new ATOM 0 HA ILE A 76 5.331 7.783 -10.908 1.00 0.00 H new ATOM 0 HB ILE A 76 7.196 7.487 -8.620 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.235 6.328 -7.616 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.210 6.852 -8.938 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.553 8.697 -7.157 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.293 9.776 -8.363 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.638 9.169 -8.609 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.825 4.488 -9.190 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.511 5.453 -10.519 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.551 4.920 -9.177 1.00 0.00 H new ATOM 1126 N THR A 77 5.955 10.087 -11.580 1.00 0.00 N ATOM 1127 CA THR A 77 6.159 11.475 -11.947 1.00 0.00 C ATOM 1128 C THR A 77 5.240 12.282 -11.035 1.00 0.00 C ATOM 1129 O THR A 77 5.687 12.954 -10.109 1.00 0.00 O ATOM 1130 CB THR A 77 5.813 11.632 -13.435 1.00 0.00 C ATOM 1131 OG1 THR A 77 4.571 10.996 -13.695 1.00 0.00 O ATOM 1132 CG2 THR A 77 6.888 10.972 -14.305 1.00 0.00 C ATOM 0 H THR A 77 5.100 9.696 -11.976 1.00 0.00 H new ATOM 0 HA THR A 77 7.185 11.820 -11.822 1.00 0.00 H new ATOM 0 HB THR A 77 5.757 12.695 -13.671 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.345 11.095 -14.643 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.629 11.092 -15.357 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.852 11.444 -14.113 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.949 9.911 -14.065 1.00 0.00 H new ATOM 1140 N ALA A 78 3.939 12.175 -11.304 1.00 0.00 N ATOM 1141 CA ALA A 78 2.877 12.726 -10.482 1.00 0.00 C ATOM 1142 C ALA A 78 2.474 11.661 -9.459 1.00 0.00 C ATOM 1143 O ALA A 78 2.682 10.467 -9.683 1.00 0.00 O ATOM 1144 CB ALA A 78 1.689 13.112 -11.367 1.00 0.00 C ATOM 0 H ALA A 78 3.590 11.685 -12.128 1.00 0.00 H new ATOM 0 HA ALA A 78 3.213 13.624 -9.963 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.893 13.525 -10.748 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.006 13.858 -12.096 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.321 12.228 -11.888 1.00 0.00 H new ATOM 1150 N MET A 79 1.900 12.093 -8.338 1.00 0.00 N ATOM 1151 CA MET A 79 1.423 11.237 -7.263 1.00 0.00 C ATOM 1152 C MET A 79 0.235 11.959 -6.594 1.00 0.00 C ATOM 1153 O MET A 79 0.108 13.168 -6.786 1.00 0.00 O ATOM 1154 CB MET A 79 2.599 10.895 -6.324 1.00 0.00 C ATOM 1155 CG MET A 79 3.080 12.017 -5.395 1.00 0.00 C ATOM 1156 SD MET A 79 3.636 13.572 -6.146 1.00 0.00 S ATOM 1157 CE MET A 79 5.153 13.012 -6.950 1.00 0.00 C ATOM 0 H MET A 79 1.751 13.084 -8.150 1.00 0.00 H new ATOM 0 HA MET A 79 1.054 10.273 -7.613 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.308 10.043 -5.709 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.442 10.573 -6.936 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.267 12.251 -4.707 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.901 11.624 -4.796 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.624 13.851 -7.462 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.837 12.614 -6.200 1.00 0.00 H new ATOM 0 HE3 MET A 79 4.915 12.232 -7.674 1.00 0.00 H new ATOM 1167 N PRO A 80 -0.643 11.279 -5.833 1.00 0.00 N ATOM 1168 CA PRO A 80 -0.594 9.864 -5.508 1.00 0.00 C ATOM 1169 C PRO A 80 -0.807 8.988 -6.741 1.00 0.00 C ATOM 1170 O PRO A 80 -1.599 9.328 -7.619 1.00 0.00 O ATOM 1171 CB PRO A 80 -1.695 9.647 -4.475 1.00 0.00 C ATOM 1172 CG PRO A 80 -2.740 10.675 -4.877 1.00 0.00 C ATOM 1173 CD PRO A 80 -1.858 11.863 -5.279 1.00 0.00 C ATOM 0 HA PRO A 80 0.385 9.581 -5.121 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.091 8.632 -4.512 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -1.335 9.812 -3.459 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.362 10.327 -5.702 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.411 10.922 -4.054 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.360 12.493 -6.013 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -1.633 12.493 -4.419 1.00 0.00 H new ATOM 1181 N THR A 81 -0.065 7.882 -6.807 1.00 0.00 N ATOM 1182 CA THR A 81 -0.103 6.927 -7.899 1.00 0.00 C ATOM 1183 C THR A 81 -0.176 5.529 -7.289 1.00 0.00 C ATOM 1184 O THR A 81 0.682 5.142 -6.496 1.00 0.00 O ATOM 1185 CB THR A 81 1.126 7.141 -8.795 1.00 0.00 C ATOM 1186 OG1 THR A 81 0.959 8.364 -9.481 1.00 0.00 O ATOM 1187 CG2 THR A 81 1.289 6.034 -9.838 1.00 0.00 C ATOM 0 H THR A 81 0.598 7.624 -6.076 1.00 0.00 H new ATOM 0 HA THR A 81 -0.977 7.060 -8.537 1.00 0.00 H new ATOM 0 HB THR A 81 2.011 7.138 -8.158 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.759 8.917 -9.363 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.172 6.233 -10.445 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.404 5.074 -9.335 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.408 6.005 -10.479 1.00 0.00 H new ATOM 1195 N PHE A 82 -1.218 4.782 -7.651 1.00 0.00 N ATOM 1196 CA PHE A 82 -1.490 3.439 -7.180 1.00 0.00 C ATOM 1197 C PHE A 82 -1.153 2.459 -8.298 1.00 0.00 C ATOM 1198 O PHE A 82 -1.732 2.546 -9.380 1.00 0.00 O ATOM 1199 CB PHE A 82 -2.967 3.329 -6.784 1.00 0.00 C ATOM 1200 CG PHE A 82 -3.303 4.094 -5.516 1.00 0.00 C ATOM 1201 CD1 PHE A 82 -3.565 5.476 -5.576 1.00 0.00 C ATOM 1202 CD2 PHE A 82 -3.320 3.438 -4.269 1.00 0.00 C ATOM 1203 CE1 PHE A 82 -3.810 6.202 -4.397 1.00 0.00 C ATOM 1204 CE2 PHE A 82 -3.637 4.154 -3.099 1.00 0.00 C ATOM 1205 CZ PHE A 82 -3.809 5.549 -3.155 1.00 0.00 C ATOM 0 H PHE A 82 -1.922 5.117 -8.309 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.883 3.207 -6.305 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.585 3.702 -7.601 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.223 2.278 -6.646 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.578 5.980 -6.531 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.090 2.384 -4.211 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.999 7.264 -4.447 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.748 3.633 -2.160 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.940 6.116 -2.245 1.00 0.00 H new ATOM 1215 N HIS A 83 -0.209 1.551 -8.055 1.00 0.00 N ATOM 1216 CA HIS A 83 0.157 0.493 -8.986 1.00 0.00 C ATOM 1217 C HIS A 83 -0.360 -0.830 -8.437 1.00 0.00 C ATOM 1218 O HIS A 83 -0.493 -0.970 -7.223 1.00 0.00 O ATOM 1219 CB HIS A 83 1.677 0.394 -9.097 1.00 0.00 C ATOM 1220 CG HIS A 83 2.383 1.487 -9.843 1.00 0.00 C ATOM 1221 ND1 HIS A 83 3.768 1.438 -9.992 1.00 0.00 N ATOM 1222 CD2 HIS A 83 1.899 2.600 -10.476 1.00 0.00 C ATOM 1223 CE1 HIS A 83 4.062 2.508 -10.733 1.00 0.00 C ATOM 1224 NE2 HIS A 83 2.979 3.230 -11.060 1.00 0.00 N ATOM 0 H HIS A 83 0.330 1.533 -7.189 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.270 0.711 -9.965 1.00 0.00 H new ATOM 0 HB2 HIS A 83 2.087 0.354 -8.088 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.920 -0.554 -9.577 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.869 2.923 -10.512 1.00 0.00 H new ATOM 0 HE1 HIS A 83 5.066 2.766 -11.037 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.958 4.077 -11.628 1.00 0.00 H new ATOM 1232 N VAL A 84 -0.627 -1.807 -9.304 1.00 0.00 N ATOM 1233 CA VAL A 84 -0.984 -3.154 -8.887 1.00 0.00 C ATOM 1234 C VAL A 84 0.002 -4.090 -9.566 1.00 0.00 C ATOM 1235 O VAL A 84 0.047 -4.132 -10.797 1.00 0.00 O ATOM 1236 CB VAL A 84 -2.432 -3.511 -9.255 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -2.802 -4.821 -8.543 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -3.416 -2.412 -8.840 1.00 0.00 C ATOM 0 H VAL A 84 -0.600 -1.682 -10.316 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.930 -3.241 -7.802 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.498 -3.619 -10.338 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.828 -5.093 -8.791 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.128 -5.614 -8.867 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.713 -4.687 -7.465 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.428 -2.705 -9.119 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.365 -2.266 -7.761 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.156 -1.481 -9.344 1.00 0.00 H new ATOM 1248 N TYR A 85 0.809 -4.807 -8.779 1.00 0.00 N ATOM 1249 CA TYR A 85 1.796 -5.750 -9.273 1.00 0.00 C ATOM 1250 C TYR A 85 1.316 -7.177 -9.002 1.00 0.00 C ATOM 1251 O TYR A 85 0.919 -7.496 -7.879 1.00 0.00 O ATOM 1252 CB TYR A 85 3.162 -5.510 -8.609 1.00 0.00 C ATOM 1253 CG TYR A 85 3.839 -4.190 -8.931 1.00 0.00 C ATOM 1254 CD1 TYR A 85 3.433 -3.013 -8.273 1.00 0.00 C ATOM 1255 CD2 TYR A 85 4.980 -4.162 -9.757 1.00 0.00 C ATOM 1256 CE1 TYR A 85 4.122 -1.809 -8.499 1.00 0.00 C ATOM 1257 CE2 TYR A 85 5.635 -2.946 -10.017 1.00 0.00 C ATOM 1258 CZ TYR A 85 5.174 -1.759 -9.425 1.00 0.00 C ATOM 1259 OH TYR A 85 5.718 -0.560 -9.778 1.00 0.00 O ATOM 0 H TYR A 85 0.788 -4.741 -7.761 1.00 0.00 H new ATOM 0 HA TYR A 85 1.915 -5.606 -10.347 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.034 -5.575 -7.528 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.832 -6.319 -8.900 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.593 -3.035 -7.595 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.352 -5.078 -10.192 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.840 -0.918 -7.957 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.493 -2.924 -10.672 1.00 0.00 H new ATOM 0 HH TYR A 85 5.006 0.106 -9.875 1.00 0.00 H new ATOM 1269 N LYS A 86 1.278 -8.013 -10.043 1.00 0.00 N ATOM 1270 CA LYS A 86 1.037 -9.445 -9.916 1.00 0.00 C ATOM 1271 C LYS A 86 2.413 -10.097 -9.798 1.00 0.00 C ATOM 1272 O LYS A 86 3.260 -9.860 -10.659 1.00 0.00 O ATOM 1273 CB LYS A 86 0.239 -9.970 -11.113 1.00 0.00 C ATOM 1274 CG LYS A 86 -1.232 -9.562 -10.961 1.00 0.00 C ATOM 1275 CD LYS A 86 -2.075 -10.109 -12.120 1.00 0.00 C ATOM 1276 CE LYS A 86 -3.565 -9.810 -11.912 1.00 0.00 C ATOM 1277 NZ LYS A 86 -4.099 -10.533 -10.745 1.00 0.00 N ATOM 0 H LYS A 86 1.416 -7.707 -11.006 1.00 0.00 H new ATOM 0 HA LYS A 86 0.433 -9.680 -9.040 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.646 -9.567 -12.041 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.323 -11.055 -11.173 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.621 -9.937 -10.014 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.311 -8.475 -10.930 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.740 -9.666 -13.058 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.926 -11.185 -12.205 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.707 -8.738 -11.774 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.123 -10.094 -12.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.058 -10.875 -10.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.483 -11.342 -10.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.133 -9.893 -9.926 1.00 0.00 H new ATOM 1291 N ASP A 87 2.649 -10.861 -8.726 1.00 0.00 N ATOM 1292 CA ASP A 87 3.886 -11.540 -8.344 1.00 0.00 C ATOM 1293 C ASP A 87 4.965 -10.524 -7.978 1.00 0.00 C ATOM 1294 O ASP A 87 5.419 -10.459 -6.839 1.00 0.00 O ATOM 1295 CB ASP A 87 4.354 -12.509 -9.435 1.00 0.00 C ATOM 1296 CG ASP A 87 5.464 -13.401 -8.890 1.00 0.00 C ATOM 1297 OD1 ASP A 87 5.132 -14.268 -8.051 1.00 0.00 O ATOM 1298 OD2 ASP A 87 6.622 -13.186 -9.306 1.00 0.00 O ATOM 0 H ASP A 87 1.910 -11.034 -8.044 1.00 0.00 H new ATOM 0 HA ASP A 87 3.685 -12.142 -7.457 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.518 -13.120 -9.775 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.714 -11.952 -10.300 1.00 0.00 H new ATOM 1303 N GLY A 88 5.338 -9.727 -8.969 1.00 0.00 N ATOM 1304 CA GLY A 88 6.295 -8.638 -8.905 1.00 0.00 C ATOM 1305 C GLY A 88 6.393 -7.915 -10.253 1.00 0.00 C ATOM 1306 O GLY A 88 7.411 -7.286 -10.533 1.00 0.00 O ATOM 0 H GLY A 88 4.950 -9.835 -9.906 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.997 -7.932 -8.130 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.274 -9.025 -8.624 1.00 0.00 H new ATOM 1310 N VAL A 89 5.349 -7.991 -11.090 1.00 0.00 N ATOM 1311 CA VAL A 89 5.283 -7.375 -12.408 1.00 0.00 C ATOM 1312 C VAL A 89 4.057 -6.468 -12.416 1.00 0.00 C ATOM 1313 O VAL A 89 2.968 -6.909 -12.046 1.00 0.00 O ATOM 1314 CB VAL A 89 5.188 -8.466 -13.490 1.00 0.00 C ATOM 1315 CG1 VAL A 89 5.115 -7.844 -14.891 1.00 0.00 C ATOM 1316 CG2 VAL A 89 6.399 -9.406 -13.427 1.00 0.00 C ATOM 0 H VAL A 89 4.500 -8.504 -10.852 1.00 0.00 H new ATOM 0 HA VAL A 89 6.177 -6.790 -12.623 1.00 0.00 H new ATOM 0 HB VAL A 89 4.278 -9.034 -13.298 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.049 -8.635 -15.637 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.235 -7.205 -14.960 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.010 -7.249 -15.072 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.309 -10.168 -14.201 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.313 -8.833 -13.586 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.437 -9.885 -12.449 1.00 0.00 H new ATOM 1326 N LYS A 90 4.235 -5.201 -12.805 1.00 0.00 N ATOM 1327 CA LYS A 90 3.167 -4.213 -12.826 1.00 0.00 C ATOM 1328 C LYS A 90 2.069 -4.655 -13.793 1.00 0.00 C ATOM 1329 O LYS A 90 2.277 -4.686 -15.004 1.00 0.00 O ATOM 1330 CB LYS A 90 3.746 -2.844 -13.202 1.00 0.00 C ATOM 1331 CG LYS A 90 2.717 -1.726 -12.980 1.00 0.00 C ATOM 1332 CD LYS A 90 3.413 -0.377 -12.763 1.00 0.00 C ATOM 1333 CE LYS A 90 4.195 0.125 -13.981 1.00 0.00 C ATOM 1334 NZ LYS A 90 3.309 0.368 -15.133 1.00 0.00 N ATOM 0 H LYS A 90 5.135 -4.836 -13.116 1.00 0.00 H new ATOM 0 HA LYS A 90 2.717 -4.127 -11.837 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.636 -2.646 -12.605 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.058 -2.853 -14.246 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.052 -1.662 -13.841 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.097 -1.963 -12.115 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.664 0.367 -12.493 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.095 -0.464 -11.917 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.719 1.046 -13.724 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.954 -0.608 -14.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.546 -0.294 -15.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.320 0.226 -14.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.435 1.344 -15.468 1.00 0.00 H new ATOM 1348 N ALA A 91 0.906 -5.004 -13.244 1.00 0.00 N ATOM 1349 CA ALA A 91 -0.256 -5.453 -13.989 1.00 0.00 C ATOM 1350 C ALA A 91 -1.172 -4.281 -14.329 1.00 0.00 C ATOM 1351 O ALA A 91 -1.818 -4.300 -15.374 1.00 0.00 O ATOM 1352 CB ALA A 91 -1.006 -6.499 -13.160 1.00 0.00 C ATOM 0 H ALA A 91 0.748 -4.979 -12.237 1.00 0.00 H new ATOM 0 HA ALA A 91 0.071 -5.898 -14.929 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.881 -6.842 -13.712 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.348 -7.345 -12.960 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.324 -6.056 -12.216 1.00 0.00 H new ATOM 1358 N ASP A 92 -1.257 -3.280 -13.446 1.00 0.00 N ATOM 1359 CA ASP A 92 -2.144 -2.136 -13.651 1.00 0.00 C ATOM 1360 C ASP A 92 -1.646 -0.910 -12.887 1.00 0.00 C ATOM 1361 O ASP A 92 -0.791 -1.038 -12.008 1.00 0.00 O ATOM 1362 CB ASP A 92 -3.551 -2.547 -13.199 1.00 0.00 C ATOM 1363 CG ASP A 92 -4.674 -1.612 -13.630 1.00 0.00 C ATOM 1364 OD1 ASP A 92 -4.409 -0.712 -14.455 1.00 0.00 O ATOM 1365 OD2 ASP A 92 -5.795 -1.844 -13.126 1.00 0.00 O ATOM 0 H ASP A 92 -0.719 -3.242 -12.580 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.161 -1.856 -14.704 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.762 -3.544 -13.586 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.558 -2.619 -12.111 1.00 0.00 H new ATOM 1370 N ASP A 93 -2.196 0.266 -13.216 1.00 0.00 N ATOM 1371 CA ASP A 93 -1.856 1.556 -12.634 1.00 0.00 C ATOM 1372 C ASP A 93 -3.115 2.412 -12.504 1.00 0.00 C ATOM 1373 O ASP A 93 -4.111 2.176 -13.182 1.00 0.00 O ATOM 1374 CB ASP A 93 -0.885 2.349 -13.526 1.00 0.00 C ATOM 1375 CG ASP A 93 0.444 1.677 -13.855 1.00 0.00 C ATOM 1376 OD1 ASP A 93 0.421 0.586 -14.464 1.00 0.00 O ATOM 1377 OD2 ASP A 93 1.480 2.302 -13.546 1.00 0.00 O ATOM 0 H ASP A 93 -2.922 0.339 -13.928 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.395 1.351 -11.668 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.393 2.577 -14.463 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.674 3.301 -13.038 1.00 0.00 H new ATOM 1382 N LEU A 94 -3.027 3.447 -11.672 1.00 0.00 N ATOM 1383 CA LEU A 94 -4.033 4.474 -11.457 1.00 0.00 C ATOM 1384 C LEU A 94 -3.307 5.667 -10.840 1.00 0.00 C ATOM 1385 O LEU A 94 -2.379 5.473 -10.059 1.00 0.00 O ATOM 1386 CB LEU A 94 -5.158 3.948 -10.545 1.00 0.00 C ATOM 1387 CG LEU A 94 -6.151 5.044 -10.105 1.00 0.00 C ATOM 1388 CD1 LEU A 94 -7.578 4.496 -10.017 1.00 0.00 C ATOM 1389 CD2 LEU A 94 -5.793 5.635 -8.732 1.00 0.00 C ATOM 0 H LEU A 94 -2.198 3.596 -11.096 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.514 4.767 -12.390 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.703 3.163 -11.069 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.715 3.492 -9.659 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.088 5.824 -10.864 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.255 5.291 -9.705 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.885 4.121 -10.994 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.612 3.685 -9.290 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.520 6.402 -8.465 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.807 4.845 -7.981 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.798 6.078 -8.775 1.00 0.00 H new ATOM 1401 N VAL A 95 -3.700 6.892 -11.195 1.00 0.00 N ATOM 1402 CA VAL A 95 -3.184 8.121 -10.625 1.00 0.00 C ATOM 1403 C VAL A 95 -4.364 8.786 -9.925 1.00 0.00 C ATOM 1404 O VAL A 95 -5.510 8.585 -10.328 1.00 0.00 O ATOM 1405 CB VAL A 95 -2.592 9.023 -11.715 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -1.847 10.213 -11.102 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -1.623 8.253 -12.624 1.00 0.00 C ATOM 0 H VAL A 95 -4.409 7.052 -11.911 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.373 7.929 -9.922 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.431 9.382 -12.311 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.438 10.835 -11.898 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.537 10.803 -10.499 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.035 9.849 -10.472 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.224 8.926 -13.383 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.803 7.854 -12.027 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.153 7.432 -13.108 1.00 0.00 H new ATOM 1417 N GLY A 96 -4.094 9.571 -8.889 1.00 0.00 N ATOM 1418 CA GLY A 96 -5.129 10.202 -8.097 1.00 0.00 C ATOM 1419 C GLY A 96 -5.530 9.234 -6.985 1.00 0.00 C ATOM 1420 O GLY A 96 -4.763 8.337 -6.638 1.00 0.00 O ATOM 0 H GLY A 96 -3.146 9.785 -8.578 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.767 11.139 -7.674 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.990 10.445 -8.719 1.00 0.00 H new ATOM 1424 N ALA A 97 -6.723 9.403 -6.415 1.00 0.00 N ATOM 1425 CA ALA A 97 -7.223 8.541 -5.357 1.00 0.00 C ATOM 1426 C ALA A 97 -8.746 8.534 -5.430 1.00 0.00 C ATOM 1427 O ALA A 97 -9.349 9.567 -5.712 1.00 0.00 O ATOM 1428 CB ALA A 97 -6.735 9.056 -4.000 1.00 0.00 C ATOM 0 H ALA A 97 -7.369 10.147 -6.679 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.853 7.523 -5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.111 8.408 -3.208 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.645 9.056 -3.981 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.101 10.071 -3.843 1.00 0.00 H new ATOM 1434 N SER A 98 -9.361 7.368 -5.223 1.00 0.00 N ATOM 1435 CA SER A 98 -10.802 7.154 -5.253 1.00 0.00 C ATOM 1436 C SER A 98 -11.056 5.808 -4.574 1.00 0.00 C ATOM 1437 O SER A 98 -10.713 4.768 -5.130 1.00 0.00 O ATOM 1438 CB SER A 98 -11.307 7.156 -6.703 1.00 0.00 C ATOM 1439 OG SER A 98 -11.353 8.465 -7.233 1.00 0.00 O ATOM 0 H SER A 98 -8.843 6.513 -5.022 1.00 0.00 H new ATOM 0 HA SER A 98 -11.338 7.948 -4.733 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.654 6.536 -7.318 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.301 6.711 -6.744 1.00 0.00 H new ATOM 0 HG SER A 98 -10.736 9.041 -6.735 1.00 0.00 H new ATOM 1445 N GLN A 99 -11.618 5.827 -3.364 1.00 0.00 N ATOM 1446 CA GLN A 99 -11.852 4.650 -2.533 1.00 0.00 C ATOM 1447 C GLN A 99 -12.592 3.551 -3.297 1.00 0.00 C ATOM 1448 O GLN A 99 -12.175 2.396 -3.284 1.00 0.00 O ATOM 1449 CB GLN A 99 -12.636 5.063 -1.278 1.00 0.00 C ATOM 1450 CG GLN A 99 -11.766 5.778 -0.232 1.00 0.00 C ATOM 1451 CD GLN A 99 -11.171 7.103 -0.708 1.00 0.00 C ATOM 1452 OE1 GLN A 99 -11.792 7.830 -1.478 1.00 0.00 O ATOM 1453 NE2 GLN A 99 -9.954 7.427 -0.284 1.00 0.00 N ATOM 0 H GLN A 99 -11.932 6.692 -2.923 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.886 4.237 -2.241 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -13.457 5.719 -1.569 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -13.081 4.176 -0.827 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.367 5.962 0.659 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.954 5.114 0.063 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.455 6.809 0.356 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -9.518 8.294 -0.598 1.00 0.00 H new ATOM 1462 N ASP A 100 -13.689 3.908 -3.966 1.00 0.00 N ATOM 1463 CA ASP A 100 -14.470 2.970 -4.765 1.00 0.00 C ATOM 1464 C ASP A 100 -13.587 2.339 -5.845 1.00 0.00 C ATOM 1465 O ASP A 100 -13.628 1.129 -6.063 1.00 0.00 O ATOM 1466 CB ASP A 100 -15.670 3.694 -5.398 1.00 0.00 C ATOM 1467 CG ASP A 100 -15.250 4.745 -6.424 1.00 0.00 C ATOM 1468 OD1 ASP A 100 -14.416 5.597 -6.046 1.00 0.00 O ATOM 1469 OD2 ASP A 100 -15.735 4.656 -7.572 1.00 0.00 O ATOM 0 H ASP A 100 -14.060 4.858 -3.967 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.846 2.175 -4.120 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -16.319 2.962 -5.879 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -16.256 4.172 -4.613 1.00 0.00 H new ATOM 1474 N LYS A 101 -12.770 3.157 -6.510 1.00 0.00 N ATOM 1475 CA LYS A 101 -11.895 2.696 -7.572 1.00 0.00 C ATOM 1476 C LYS A 101 -10.822 1.773 -6.994 1.00 0.00 C ATOM 1477 O LYS A 101 -10.467 0.780 -7.620 1.00 0.00 O ATOM 1478 CB LYS A 101 -11.299 3.902 -8.309 1.00 0.00 C ATOM 1479 CG LYS A 101 -10.883 3.588 -9.753 1.00 0.00 C ATOM 1480 CD LYS A 101 -12.018 3.103 -10.673 1.00 0.00 C ATOM 1481 CE LYS A 101 -13.295 3.954 -10.602 1.00 0.00 C ATOM 1482 NZ LYS A 101 -13.033 5.372 -10.904 1.00 0.00 N ATOM 0 H LYS A 101 -12.701 4.157 -6.322 1.00 0.00 H new ATOM 0 HA LYS A 101 -12.460 2.116 -8.302 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -12.029 4.711 -8.317 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.430 4.262 -7.758 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.441 4.484 -10.190 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.104 2.826 -9.732 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.658 3.094 -11.702 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.266 2.074 -10.413 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.030 3.564 -11.306 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.731 3.870 -9.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.927 5.903 -10.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.378 5.762 -10.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.610 5.453 -11.850 1.00 0.00 H new ATOM 1496 N LEU A 102 -10.303 2.082 -5.803 1.00 0.00 N ATOM 1497 CA LEU A 102 -9.342 1.216 -5.132 1.00 0.00 C ATOM 1498 C LEU A 102 -10.009 -0.120 -4.821 1.00 0.00 C ATOM 1499 O LEU A 102 -9.442 -1.173 -5.103 1.00 0.00 O ATOM 1500 CB LEU A 102 -8.800 1.886 -3.861 1.00 0.00 C ATOM 1501 CG LEU A 102 -7.811 3.011 -4.199 1.00 0.00 C ATOM 1502 CD1 LEU A 102 -7.596 3.916 -2.980 1.00 0.00 C ATOM 1503 CD2 LEU A 102 -6.457 2.438 -4.632 1.00 0.00 C ATOM 0 H LEU A 102 -10.536 2.930 -5.285 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.489 1.039 -5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.628 2.290 -3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.306 1.141 -3.237 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.236 3.589 -5.019 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.893 4.709 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.547 4.357 -2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.195 3.327 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.774 3.255 -4.866 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.041 1.837 -3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.592 1.814 -5.515 1.00 0.00 H new ATOM 1515 N LYS A 103 -11.224 -0.087 -4.267 1.00 0.00 N ATOM 1516 CA LYS A 103 -11.971 -1.296 -3.979 1.00 0.00 C ATOM 1517 C LYS A 103 -12.087 -2.128 -5.258 1.00 0.00 C ATOM 1518 O LYS A 103 -11.781 -3.323 -5.256 1.00 0.00 O ATOM 1519 CB LYS A 103 -13.344 -0.917 -3.411 1.00 0.00 C ATOM 1520 CG LYS A 103 -13.976 -2.083 -2.645 1.00 0.00 C ATOM 1521 CD LYS A 103 -15.274 -1.625 -1.973 1.00 0.00 C ATOM 1522 CE LYS A 103 -15.839 -2.711 -1.048 1.00 0.00 C ATOM 1523 NZ LYS A 103 -16.097 -3.973 -1.764 1.00 0.00 N ATOM 0 H LYS A 103 -11.707 0.774 -4.011 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.458 -1.901 -3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.240 -0.058 -2.748 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -14.004 -0.614 -4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.181 -2.908 -3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -13.280 -2.456 -1.894 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -15.088 -0.717 -1.399 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -16.012 -1.375 -2.736 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.137 -2.894 -0.234 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -16.765 -2.356 -0.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -16.586 -4.637 -1.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -16.692 -3.785 -2.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.195 -4.389 -2.071 1.00 0.00 H new ATOM 1537 N ALA A 104 -12.500 -1.474 -6.346 1.00 0.00 N ATOM 1538 CA ALA A 104 -12.634 -2.092 -7.657 1.00 0.00 C ATOM 1539 C ALA A 104 -11.299 -2.683 -8.125 1.00 0.00 C ATOM 1540 O ALA A 104 -11.281 -3.818 -8.593 1.00 0.00 O ATOM 1541 CB ALA A 104 -13.166 -1.070 -8.665 1.00 0.00 C ATOM 0 H ALA A 104 -12.753 -0.486 -6.336 1.00 0.00 H new ATOM 0 HA ALA A 104 -13.348 -2.912 -7.584 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -13.263 -1.541 -9.643 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -14.141 -0.709 -8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -12.473 -0.231 -8.733 1.00 0.00 H new ATOM 1547 N LEU A 105 -10.189 -1.944 -8.008 1.00 0.00 N ATOM 1548 CA LEU A 105 -8.866 -2.426 -8.395 1.00 0.00 C ATOM 1549 C LEU A 105 -8.554 -3.720 -7.644 1.00 0.00 C ATOM 1550 O LEU A 105 -8.200 -4.725 -8.260 1.00 0.00 O ATOM 1551 CB LEU A 105 -7.787 -1.372 -8.083 1.00 0.00 C ATOM 1552 CG LEU A 105 -7.651 -0.279 -9.155 1.00 0.00 C ATOM 1553 CD1 LEU A 105 -6.959 0.952 -8.561 1.00 0.00 C ATOM 1554 CD2 LEU A 105 -6.795 -0.767 -10.327 1.00 0.00 C ATOM 0 H LEU A 105 -10.188 -0.992 -7.641 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.865 -2.614 -9.469 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.019 -0.902 -7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.826 -1.874 -7.967 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.654 -0.033 -9.503 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.866 1.722 -9.327 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.550 1.336 -7.730 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.967 0.675 -8.203 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.714 0.024 -11.072 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.800 -1.030 -9.967 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.261 -1.643 -10.778 1.00 0.00 H new ATOM 1566 N VAL A 106 -8.683 -3.700 -6.315 1.00 0.00 N ATOM 1567 CA VAL A 106 -8.391 -4.881 -5.516 1.00 0.00 C ATOM 1568 C VAL A 106 -9.263 -6.044 -5.987 1.00 0.00 C ATOM 1569 O VAL A 106 -8.750 -7.124 -6.260 1.00 0.00 O ATOM 1570 CB VAL A 106 -8.599 -4.607 -4.020 1.00 0.00 C ATOM 1571 CG1 VAL A 106 -8.256 -5.871 -3.217 1.00 0.00 C ATOM 1572 CG2 VAL A 106 -7.703 -3.478 -3.505 1.00 0.00 C ATOM 0 H VAL A 106 -8.985 -2.886 -5.779 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.342 -5.146 -5.652 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.642 -4.316 -3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.403 -5.678 -2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.905 -6.689 -3.531 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.216 -6.144 -3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.888 -3.323 -2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.657 -3.746 -3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.925 -2.560 -4.050 1.00 0.00 H new ATOM 1582 N ALA A 107 -10.574 -5.819 -6.089 1.00 0.00 N ATOM 1583 CA ALA A 107 -11.518 -6.842 -6.528 1.00 0.00 C ATOM 1584 C ALA A 107 -11.079 -7.441 -7.873 1.00 0.00 C ATOM 1585 O ALA A 107 -10.916 -8.654 -7.993 1.00 0.00 O ATOM 1586 CB ALA A 107 -12.924 -6.246 -6.633 1.00 0.00 C ATOM 0 H ALA A 107 -11.009 -4.923 -5.869 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.534 -7.645 -5.791 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.622 -7.016 -6.961 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -13.233 -5.868 -5.658 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.920 -5.429 -7.354 1.00 0.00 H new ATOM 1592 N LYS A 108 -10.880 -6.580 -8.873 1.00 0.00 N ATOM 1593 CA LYS A 108 -10.437 -6.937 -10.215 1.00 0.00 C ATOM 1594 C LYS A 108 -9.214 -7.836 -10.142 1.00 0.00 C ATOM 1595 O LYS A 108 -9.240 -8.992 -10.548 1.00 0.00 O ATOM 1596 CB LYS A 108 -10.115 -5.633 -10.974 1.00 0.00 C ATOM 1597 CG LYS A 108 -9.274 -5.731 -12.258 1.00 0.00 C ATOM 1598 CD LYS A 108 -9.727 -6.739 -13.322 1.00 0.00 C ATOM 1599 CE LYS A 108 -11.096 -6.448 -13.953 1.00 0.00 C ATOM 1600 NZ LYS A 108 -12.212 -6.916 -13.115 1.00 0.00 N ATOM 0 H LYS A 108 -11.030 -5.577 -8.762 1.00 0.00 H new ATOM 0 HA LYS A 108 -11.219 -7.486 -10.740 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.060 -5.154 -11.230 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -9.596 -4.966 -10.286 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -9.247 -4.744 -12.719 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -8.251 -5.978 -11.973 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -8.978 -6.769 -14.114 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -9.755 -7.731 -12.872 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -11.195 -5.375 -14.120 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -11.152 -6.929 -14.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -13.049 -7.079 -13.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -11.944 -7.804 -12.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -12.433 -6.197 -12.397 1.00 0.00 H new ATOM 1614 N HIS A 109 -8.132 -7.286 -9.605 1.00 0.00 N ATOM 1615 CA HIS A 109 -6.860 -7.992 -9.580 1.00 0.00 C ATOM 1616 C HIS A 109 -6.885 -9.210 -8.651 1.00 0.00 C ATOM 1617 O HIS A 109 -6.082 -10.121 -8.834 1.00 0.00 O ATOM 1618 CB HIS A 109 -5.750 -6.982 -9.290 1.00 0.00 C ATOM 1619 CG HIS A 109 -5.639 -6.005 -10.434 1.00 0.00 C ATOM 1620 ND1 HIS A 109 -5.275 -6.441 -11.706 1.00 0.00 N ATOM 1621 CD2 HIS A 109 -5.984 -4.679 -10.507 1.00 0.00 C ATOM 1622 CE1 HIS A 109 -5.444 -5.377 -12.494 1.00 0.00 C ATOM 1623 NE2 HIS A 109 -5.856 -4.292 -11.823 1.00 0.00 N ATOM 0 H HIS A 109 -8.111 -6.358 -9.183 1.00 0.00 H new ATOM 0 HA HIS A 109 -6.654 -8.432 -10.556 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -5.963 -6.449 -8.363 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -4.802 -7.500 -9.149 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -6.298 -4.054 -9.684 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -5.268 -5.389 -13.559 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -6.038 -3.366 -12.209 1.00 0.00 H new ATOM 1631 N ALA A 110 -7.790 -9.262 -7.668 1.00 0.00 N ATOM 1632 CA ALA A 110 -7.968 -10.452 -6.846 1.00 0.00 C ATOM 1633 C ALA A 110 -8.638 -11.543 -7.687 1.00 0.00 C ATOM 1634 O ALA A 110 -8.230 -12.700 -7.628 1.00 0.00 O ATOM 1635 CB ALA A 110 -8.804 -10.125 -5.605 1.00 0.00 C ATOM 0 H ALA A 110 -8.410 -8.489 -7.426 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.997 -10.811 -6.504 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -8.927 -11.025 -5.002 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -8.297 -9.360 -5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.783 -9.757 -5.912 1.00 0.00 H new ATOM 1641 N ALA A 111 -9.676 -11.173 -8.446 1.00 0.00 N ATOM 1642 CA ALA A 111 -10.407 -12.080 -9.318 1.00 0.00 C ATOM 1643 C ALA A 111 -9.779 -12.060 -10.717 1.00 0.00 C ATOM 1644 O ALA A 111 -8.720 -12.649 -10.927 1.00 0.00 O ATOM 1645 CB ALA A 111 -11.890 -11.683 -9.312 1.00 0.00 C ATOM 0 H ALA A 111 -10.032 -10.217 -8.467 1.00 0.00 H new ATOM 0 HA ALA A 111 -10.345 -13.109 -8.963 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -12.449 -12.356 -9.962 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -12.281 -11.751 -8.297 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -11.994 -10.660 -9.673 1.00 0.00 H new