USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 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 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 22 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 23 SER OG : rot 180:sc= -0.615 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.166 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 160:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HE2:sc= -1.4 X(o=-1.4,f=-1.7) USER MOD Single : A 48 LYS NZ :NH3+ -143:sc= -2.81! (180deg=-5.39!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.01! C(o=-1!,f=-3.1!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -2.86! C(o=-2.9!,f=-5.5!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 67:sc= 0.2 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.491 K(o=-0.49,f=-1.6) USER MOD Single : A 97 HIS : no HD1:sc= -1 K(o=-1,f=-0.15) USER MOD Single : A 98 SER OG : rot 90:sc= -0.493 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 13.699 6.860 6.063 1.00 0.00 N ATOM 67 CA PRO A 8 13.962 6.894 4.622 1.00 0.00 C ATOM 68 C PRO A 8 12.976 7.783 3.873 1.00 0.00 C ATOM 69 O PRO A 8 11.966 8.229 4.419 1.00 0.00 O ATOM 70 CB PRO A 8 13.795 5.433 4.196 1.00 0.00 C ATOM 71 CG PRO A 8 12.880 4.845 5.214 1.00 0.00 C ATOM 72 CD PRO A 8 13.186 5.553 6.505 1.00 0.00 C ATOM 0 HA PRO A 8 14.945 7.308 4.397 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.373 5.358 3.194 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.753 4.914 4.178 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.837 4.986 4.929 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.042 3.771 5.310 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.296 5.659 7.126 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.924 5.010 7.096 1.00 0.00 H new ATOM 80 N PRO A 9 13.272 8.049 2.592 1.00 0.00 N ATOM 81 CA PRO A 9 12.422 8.886 1.740 1.00 0.00 C ATOM 82 C PRO A 9 11.099 8.209 1.396 1.00 0.00 C ATOM 83 O PRO A 9 11.053 7.004 1.151 1.00 0.00 O ATOM 84 CB PRO A 9 13.266 9.081 0.478 1.00 0.00 C ATOM 85 CG PRO A 9 14.170 7.898 0.441 1.00 0.00 C ATOM 86 CD PRO A 9 14.458 7.551 1.876 1.00 0.00 C ATOM 0 HA PRO A 9 12.145 9.818 2.232 1.00 0.00 H new ATOM 0 HB2 PRO A 9 12.640 9.129 -0.413 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.833 10.011 0.520 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.698 7.062 -0.075 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.090 8.127 -0.097 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.588 6.477 2.012 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.371 8.030 2.230 1.00 0.00 H new ATOM 94 N ALA A 10 10.026 8.993 1.380 1.00 0.00 N ATOM 95 CA ALA A 10 8.703 8.469 1.064 1.00 0.00 C ATOM 96 C ALA A 10 8.728 7.656 -0.226 1.00 0.00 C ATOM 97 O ALA A 10 9.359 8.049 -1.207 1.00 0.00 O ATOM 98 CB ALA A 10 7.697 9.606 0.953 1.00 0.00 C ATOM 0 H ALA A 10 10.047 9.993 1.582 1.00 0.00 H new ATOM 0 HA ALA A 10 8.399 7.807 1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.713 9.200 0.717 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.650 10.144 1.900 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.007 10.290 0.163 1.00 0.00 H new ATOM 104 N VAL A 11 8.039 6.519 -0.217 1.00 0.00 N ATOM 105 CA VAL A 11 7.982 5.650 -1.387 1.00 0.00 C ATOM 106 C VAL A 11 7.360 6.371 -2.577 1.00 0.00 C ATOM 107 O VAL A 11 6.275 6.941 -2.473 1.00 0.00 O ATOM 108 CB VAL A 11 7.175 4.371 -1.097 1.00 0.00 C ATOM 109 CG1 VAL A 11 7.140 3.472 -2.323 1.00 0.00 C ATOM 110 CG2 VAL A 11 7.757 3.633 0.099 1.00 0.00 C ATOM 0 H VAL A 11 7.513 6.178 0.587 1.00 0.00 H new ATOM 0 HA VAL A 11 9.009 5.376 -1.628 1.00 0.00 H new ATOM 0 HB VAL A 11 6.151 4.656 -0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.565 2.573 -2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.673 4.004 -3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.157 3.193 -2.599 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.174 2.732 0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.791 3.359 -0.111 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.724 4.279 0.976 1.00 0.00 H new ATOM 120 N SER A 12 8.057 6.342 -3.709 1.00 0.00 N ATOM 121 CA SER A 12 7.575 6.996 -4.920 1.00 0.00 C ATOM 122 C SER A 12 7.209 5.966 -5.985 1.00 0.00 C ATOM 123 O SER A 12 7.377 4.763 -5.784 1.00 0.00 O ATOM 124 CB SER A 12 8.636 7.954 -5.465 1.00 0.00 C ATOM 125 OG SER A 12 9.826 7.261 -5.799 1.00 0.00 O ATOM 0 H SER A 12 8.957 5.873 -3.812 1.00 0.00 H new ATOM 0 HA SER A 12 6.680 7.563 -4.665 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.250 8.466 -6.347 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.854 8.721 -4.722 1.00 0.00 H new ATOM 0 HG SER A 12 10.487 7.895 -6.146 1.00 0.00 H new ATOM 131 N ASP A 13 6.709 6.447 -7.117 1.00 0.00 N ATOM 132 CA ASP A 13 6.320 5.570 -8.215 1.00 0.00 C ATOM 133 C ASP A 13 5.475 4.406 -7.708 1.00 0.00 C ATOM 134 O ASP A 13 5.800 3.241 -7.943 1.00 0.00 O ATOM 135 CB ASP A 13 7.560 5.041 -8.937 1.00 0.00 C ATOM 136 CG ASP A 13 8.409 6.153 -9.520 1.00 0.00 C ATOM 137 OD1 ASP A 13 7.884 7.273 -9.692 1.00 0.00 O ATOM 138 OD2 ASP A 13 9.599 5.903 -9.805 1.00 0.00 O ATOM 0 H ASP A 13 6.563 7.440 -7.299 1.00 0.00 H new ATOM 0 HA ASP A 13 5.721 6.151 -8.917 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.161 4.456 -8.240 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.252 4.366 -9.736 1.00 0.00 H new ATOM 143 N ILE A 14 4.391 4.727 -7.009 1.00 0.00 N ATOM 144 CA ILE A 14 3.501 3.708 -6.469 1.00 0.00 C ATOM 145 C ILE A 14 2.345 3.426 -7.422 1.00 0.00 C ATOM 146 O ILE A 14 1.263 3.998 -7.288 1.00 0.00 O ATOM 147 CB ILE A 14 2.933 4.126 -5.100 1.00 0.00 C ATOM 148 CG1 ILE A 14 4.067 4.518 -4.150 1.00 0.00 C ATOM 149 CG2 ILE A 14 2.103 2.998 -4.504 1.00 0.00 C ATOM 150 CD1 ILE A 14 3.593 5.244 -2.910 1.00 0.00 C ATOM 0 H ILE A 14 4.109 5.685 -6.804 1.00 0.00 H new ATOM 0 HA ILE A 14 4.096 2.803 -6.346 1.00 0.00 H new ATOM 0 HB ILE A 14 2.287 4.992 -5.241 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.607 3.619 -3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.775 5.152 -4.684 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.708 3.309 -3.537 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.276 2.761 -5.174 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.729 2.115 -4.374 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.450 5.491 -2.283 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.079 6.161 -3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.908 4.604 -2.353 1.00 0.00 H new ATOM 162 N ARG A 15 2.580 2.540 -8.384 1.00 0.00 N ATOM 163 CA ARG A 15 1.558 2.181 -9.359 1.00 0.00 C ATOM 164 C ARG A 15 1.043 0.766 -9.112 1.00 0.00 C ATOM 165 O ARG A 15 1.742 -0.069 -8.539 1.00 0.00 O ATOM 166 CB ARG A 15 2.117 2.291 -10.779 1.00 0.00 C ATOM 167 CG ARG A 15 2.065 3.700 -11.347 1.00 0.00 C ATOM 168 CD ARG A 15 2.373 3.713 -12.836 1.00 0.00 C ATOM 169 NE ARG A 15 1.354 3.011 -13.611 1.00 0.00 N ATOM 170 CZ ARG A 15 1.396 2.881 -14.933 1.00 0.00 C ATOM 171 NH1 ARG A 15 2.402 3.402 -15.622 1.00 0.00 N ATOM 172 NH2 ARG A 15 0.431 2.229 -15.568 1.00 0.00 N ATOM 0 H ARG A 15 3.470 2.057 -8.509 1.00 0.00 H new ATOM 0 HA ARG A 15 0.726 2.876 -9.248 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.151 1.946 -10.781 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.557 1.624 -11.434 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.077 4.126 -11.175 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.781 4.332 -10.821 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.446 4.744 -13.182 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.344 3.249 -13.010 1.00 0.00 H new ATOM 0 HE ARG A 15 0.567 2.598 -13.111 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.146 3.904 -15.137 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.432 3.301 -16.637 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.345 1.827 -15.042 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.465 2.130 -16.583 1.00 0.00 H new ATOM 186 N VAL A 16 -0.185 0.504 -9.548 1.00 0.00 N ATOM 187 CA VAL A 16 -0.794 -0.809 -9.375 1.00 0.00 C ATOM 188 C VAL A 16 -0.755 -1.608 -10.672 1.00 0.00 C ATOM 189 O VAL A 16 -1.251 -1.160 -11.706 1.00 0.00 O ATOM 190 CB VAL A 16 -2.255 -0.692 -8.900 1.00 0.00 C ATOM 191 CG1 VAL A 16 -2.929 -2.056 -8.907 1.00 0.00 C ATOM 192 CG2 VAL A 16 -2.316 -0.065 -7.516 1.00 0.00 C ATOM 0 H VAL A 16 -0.778 1.184 -10.024 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.213 -1.330 -8.614 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.793 -0.044 -9.591 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.960 -1.954 -8.569 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.917 -2.462 -9.918 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.393 -2.730 -8.239 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.355 0.010 -7.196 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.763 -0.686 -6.811 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.873 0.931 -7.548 1.00 0.00 H new ATOM 202 N THR A 17 -0.162 -2.797 -10.611 1.00 0.00 N ATOM 203 CA THR A 17 -0.057 -3.659 -11.781 1.00 0.00 C ATOM 204 C THR A 17 -0.835 -4.954 -11.581 1.00 0.00 C ATOM 205 O THR A 17 -1.248 -5.275 -10.467 1.00 0.00 O ATOM 206 CB THR A 17 1.412 -4.000 -12.098 1.00 0.00 C ATOM 207 OG1 THR A 17 1.496 -4.680 -13.356 1.00 0.00 O ATOM 208 CG2 THR A 17 2.014 -4.869 -11.005 1.00 0.00 C ATOM 0 H THR A 17 0.253 -3.184 -9.763 1.00 0.00 H new ATOM 0 HA THR A 17 -0.483 -3.108 -12.619 1.00 0.00 H new ATOM 0 HB THR A 17 1.975 -3.068 -12.150 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.433 -4.892 -13.551 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.051 -5.097 -11.251 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.975 -4.337 -10.054 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.448 -5.797 -10.925 1.00 0.00 H new ATOM 216 N ARG A 18 -1.031 -5.695 -12.667 1.00 0.00 N ATOM 217 CA ARG A 18 -1.761 -6.956 -12.609 1.00 0.00 C ATOM 218 C ARG A 18 -3.046 -6.805 -11.801 1.00 0.00 C ATOM 219 O ARG A 18 -3.444 -7.714 -11.073 1.00 0.00 O ATOM 220 CB ARG A 18 -0.885 -8.050 -11.995 1.00 0.00 C ATOM 221 CG ARG A 18 0.236 -8.518 -12.909 1.00 0.00 C ATOM 222 CD ARG A 18 1.175 -9.476 -12.194 1.00 0.00 C ATOM 223 NE ARG A 18 0.638 -10.833 -12.142 1.00 0.00 N ATOM 224 CZ ARG A 18 0.509 -11.613 -13.210 1.00 0.00 C ATOM 225 NH1 ARG A 18 0.877 -11.173 -14.405 1.00 0.00 N ATOM 226 NH2 ARG A 18 0.012 -12.837 -13.082 1.00 0.00 N ATOM 0 H ARG A 18 -0.695 -5.444 -13.597 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.025 -7.240 -13.628 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.453 -7.679 -11.065 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.512 -8.903 -11.737 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.188 -9.009 -13.785 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.798 -7.656 -13.268 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.138 -9.487 -12.704 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.355 -9.118 -11.180 1.00 0.00 H new ATOM 0 HE ARG A 18 0.346 -11.202 -11.237 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.260 -10.233 -14.507 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.777 -11.774 -15.223 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.271 -13.179 -12.164 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.087 -13.436 -13.902 1.00 0.00 H new ATOM 240 N SER A 19 -3.690 -5.649 -11.933 1.00 0.00 N ATOM 241 CA SER A 19 -4.927 -5.377 -11.211 1.00 0.00 C ATOM 242 C SER A 19 -5.822 -6.611 -11.182 1.00 0.00 C ATOM 243 O SER A 19 -5.957 -7.318 -12.181 1.00 0.00 O ATOM 244 CB SER A 19 -5.672 -4.207 -11.858 1.00 0.00 C ATOM 245 OG SER A 19 -5.934 -4.464 -13.227 1.00 0.00 O ATOM 0 H SER A 19 -3.375 -4.887 -12.533 1.00 0.00 H new ATOM 0 HA SER A 19 -4.670 -5.113 -10.185 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.610 -4.033 -11.331 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.080 -3.297 -11.762 1.00 0.00 H new ATOM 0 HG SER A 19 -6.412 -3.703 -13.617 1.00 0.00 H new ATOM 251 N SER A 20 -6.432 -6.865 -10.028 1.00 0.00 N ATOM 252 CA SER A 20 -7.312 -8.017 -9.866 1.00 0.00 C ATOM 253 C SER A 20 -8.706 -7.578 -9.430 1.00 0.00 C ATOM 254 O SER A 20 -8.888 -6.540 -8.793 1.00 0.00 O ATOM 255 CB SER A 20 -6.728 -8.991 -8.841 1.00 0.00 C ATOM 256 OG SER A 20 -5.316 -9.057 -8.946 1.00 0.00 O ATOM 0 H SER A 20 -6.333 -6.289 -9.192 1.00 0.00 H new ATOM 0 HA SER A 20 -7.393 -8.520 -10.830 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.007 -8.676 -7.835 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.154 -9.983 -8.994 1.00 0.00 H new ATOM 0 HG SER A 20 -4.967 -9.685 -8.279 1.00 0.00 H new ATOM 262 N PRO A 21 -9.717 -8.387 -9.782 1.00 0.00 N ATOM 263 CA PRO A 21 -11.114 -8.104 -9.437 1.00 0.00 C ATOM 264 C PRO A 21 -11.384 -8.252 -7.944 1.00 0.00 C ATOM 265 O PRO A 21 -12.031 -7.401 -7.333 1.00 0.00 O ATOM 266 CB PRO A 21 -11.894 -9.155 -10.230 1.00 0.00 C ATOM 267 CG PRO A 21 -10.932 -10.276 -10.422 1.00 0.00 C ATOM 268 CD PRO A 21 -9.574 -9.640 -10.541 1.00 0.00 C ATOM 0 HA PRO A 21 -11.393 -7.077 -9.674 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -12.781 -9.483 -9.687 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -12.234 -8.757 -11.186 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.966 -10.968 -9.581 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.174 -10.849 -11.317 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.794 -10.276 -10.123 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.308 -9.452 -11.581 1.00 0.00 H new ATOM 276 N SER A 22 -10.885 -9.338 -7.362 1.00 0.00 N ATOM 277 CA SER A 22 -11.076 -9.599 -5.940 1.00 0.00 C ATOM 278 C SER A 22 -9.790 -9.337 -5.162 1.00 0.00 C ATOM 279 O SER A 22 -9.583 -9.888 -4.081 1.00 0.00 O ATOM 280 CB SER A 22 -11.532 -11.043 -5.722 1.00 0.00 C ATOM 281 OG SER A 22 -10.513 -11.960 -6.082 1.00 0.00 O ATOM 0 H SER A 22 -10.346 -10.051 -7.853 1.00 0.00 H new ATOM 0 HA SER A 22 -11.847 -8.922 -5.572 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.803 -11.188 -4.676 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.427 -11.238 -6.313 1.00 0.00 H new ATOM 0 HG SER A 22 -10.829 -12.875 -5.932 1.00 0.00 H new ATOM 287 N SER A 23 -8.930 -8.492 -5.721 1.00 0.00 N ATOM 288 CA SER A 23 -7.662 -8.159 -5.083 1.00 0.00 C ATOM 289 C SER A 23 -6.952 -7.038 -5.836 1.00 0.00 C ATOM 290 O SER A 23 -7.338 -6.682 -6.950 1.00 0.00 O ATOM 291 CB SER A 23 -6.761 -9.393 -5.015 1.00 0.00 C ATOM 292 OG SER A 23 -6.974 -10.242 -6.130 1.00 0.00 O ATOM 0 H SER A 23 -9.088 -8.026 -6.614 1.00 0.00 H new ATOM 0 HA SER A 23 -7.873 -7.816 -4.070 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.716 -9.083 -4.984 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.958 -9.941 -4.094 1.00 0.00 H new ATOM 0 HG SER A 23 -6.385 -11.023 -6.064 1.00 0.00 H new ATOM 298 N LEU A 24 -5.914 -6.485 -5.219 1.00 0.00 N ATOM 299 CA LEU A 24 -5.149 -5.403 -5.830 1.00 0.00 C ATOM 300 C LEU A 24 -3.663 -5.541 -5.514 1.00 0.00 C ATOM 301 O LEU A 24 -3.255 -5.465 -4.355 1.00 0.00 O ATOM 302 CB LEU A 24 -5.662 -4.048 -5.339 1.00 0.00 C ATOM 303 CG LEU A 24 -7.154 -3.782 -5.543 1.00 0.00 C ATOM 304 CD1 LEU A 24 -7.613 -2.622 -4.674 1.00 0.00 C ATOM 305 CD2 LEU A 24 -7.451 -3.502 -7.009 1.00 0.00 C ATOM 0 H LEU A 24 -5.583 -6.767 -4.297 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.280 -5.464 -6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.440 -3.961 -4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.101 -3.264 -5.847 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.706 -4.673 -5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.677 -2.447 -4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.437 -2.861 -3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.054 -1.725 -4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.517 -3.315 -7.135 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.888 -2.627 -7.333 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.160 -4.363 -7.610 1.00 0.00 H new ATOM 317 N SER A 25 -2.859 -5.743 -6.553 1.00 0.00 N ATOM 318 CA SER A 25 -1.418 -5.893 -6.386 1.00 0.00 C ATOM 319 C SER A 25 -0.730 -4.532 -6.351 1.00 0.00 C ATOM 320 O SER A 25 -1.073 -3.630 -7.116 1.00 0.00 O ATOM 321 CB SER A 25 -0.837 -6.741 -7.520 1.00 0.00 C ATOM 322 OG SER A 25 0.392 -7.333 -7.136 1.00 0.00 O ATOM 0 H SER A 25 -3.181 -5.807 -7.519 1.00 0.00 H new ATOM 0 HA SER A 25 -1.238 -6.396 -5.436 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.548 -7.519 -7.797 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.685 -6.119 -8.402 1.00 0.00 H new ATOM 0 HG SER A 25 0.742 -7.871 -7.877 1.00 0.00 H new ATOM 328 N LEU A 26 0.242 -4.390 -5.457 1.00 0.00 N ATOM 329 CA LEU A 26 0.979 -3.139 -5.320 1.00 0.00 C ATOM 330 C LEU A 26 2.472 -3.360 -5.542 1.00 0.00 C ATOM 331 O LEU A 26 2.972 -4.476 -5.404 1.00 0.00 O ATOM 332 CB LEU A 26 0.742 -2.533 -3.935 1.00 0.00 C ATOM 333 CG LEU A 26 -0.718 -2.405 -3.500 1.00 0.00 C ATOM 334 CD1 LEU A 26 -0.821 -2.353 -1.984 1.00 0.00 C ATOM 335 CD2 LEU A 26 -1.353 -1.169 -4.122 1.00 0.00 C ATOM 0 H LEU A 26 0.538 -5.126 -4.816 1.00 0.00 H new ATOM 0 HA LEU A 26 0.616 -2.447 -6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.268 -3.142 -3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.196 -1.542 -3.911 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.260 -3.284 -3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.868 -2.262 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.405 -3.267 -1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.265 -1.493 -1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.392 -1.094 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.809 -0.280 -3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.313 -1.247 -5.208 1.00 0.00 H new ATOM 347 N ALA A 27 3.179 -2.288 -5.884 1.00 0.00 N ATOM 348 CA ALA A 27 4.616 -2.363 -6.120 1.00 0.00 C ATOM 349 C ALA A 27 5.210 -0.976 -6.337 1.00 0.00 C ATOM 350 O ALA A 27 4.773 -0.234 -7.217 1.00 0.00 O ATOM 351 CB ALA A 27 4.907 -3.258 -7.316 1.00 0.00 C ATOM 0 H ALA A 27 2.780 -1.357 -6.004 1.00 0.00 H new ATOM 0 HA ALA A 27 5.083 -2.794 -5.235 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.983 -3.306 -7.482 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.525 -4.260 -7.122 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.421 -2.850 -8.202 1.00 0.00 H new ATOM 357 N TRP A 28 6.208 -0.632 -5.531 1.00 0.00 N ATOM 358 CA TRP A 28 6.862 0.667 -5.635 1.00 0.00 C ATOM 359 C TRP A 28 8.308 0.514 -6.094 1.00 0.00 C ATOM 360 O TRP A 28 8.842 -0.594 -6.130 1.00 0.00 O ATOM 361 CB TRP A 28 6.814 1.394 -4.290 1.00 0.00 C ATOM 362 CG TRP A 28 6.869 0.469 -3.113 1.00 0.00 C ATOM 363 CD1 TRP A 28 7.848 0.408 -2.163 1.00 0.00 C ATOM 364 CD2 TRP A 28 5.905 -0.530 -2.762 1.00 0.00 C ATOM 365 NE1 TRP A 28 7.550 -0.567 -1.242 1.00 0.00 N ATOM 366 CE2 TRP A 28 6.363 -1.157 -1.587 1.00 0.00 C ATOM 367 CE3 TRP A 28 4.698 -0.953 -3.324 1.00 0.00 C ATOM 368 CZ2 TRP A 28 5.656 -2.185 -0.968 1.00 0.00 C ATOM 369 CZ3 TRP A 28 3.998 -1.974 -2.709 1.00 0.00 C ATOM 370 CH2 TRP A 28 4.478 -2.579 -1.540 1.00 0.00 C ATOM 0 H TRP A 28 6.582 -1.235 -4.798 1.00 0.00 H new ATOM 0 HA TRP A 28 6.326 1.257 -6.378 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.648 2.093 -4.233 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.899 1.984 -4.237 1.00 0.00 H new ATOM 0 HD1 TRP A 28 8.728 1.034 -2.139 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.120 -0.812 -0.433 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.319 -0.490 -4.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.025 -2.654 -0.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.065 -2.311 -3.137 1.00 0.00 H new ATOM 0 HH2 TRP A 28 3.906 -3.372 -1.082 1.00 0.00 H new ATOM 381 N ALA A 29 8.935 1.632 -6.442 1.00 0.00 N ATOM 382 CA ALA A 29 10.320 1.621 -6.896 1.00 0.00 C ATOM 383 C ALA A 29 11.283 1.765 -5.723 1.00 0.00 C ATOM 384 O ALA A 29 11.087 2.604 -4.844 1.00 0.00 O ATOM 385 CB ALA A 29 10.552 2.732 -7.910 1.00 0.00 C ATOM 0 H ALA A 29 8.506 2.557 -6.418 1.00 0.00 H new ATOM 0 HA ALA A 29 10.512 0.661 -7.375 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.591 2.712 -8.240 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.895 2.585 -8.768 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.336 3.696 -7.449 1.00 0.00 H new ATOM 391 N VAL A 30 12.325 0.939 -5.714 1.00 0.00 N ATOM 392 CA VAL A 30 13.319 0.974 -4.648 1.00 0.00 C ATOM 393 C VAL A 30 13.945 2.359 -4.525 1.00 0.00 C ATOM 394 O VAL A 30 14.715 2.797 -5.379 1.00 0.00 O ATOM 395 CB VAL A 30 14.435 -0.062 -4.887 1.00 0.00 C ATOM 396 CG1 VAL A 30 15.416 -0.067 -3.725 1.00 0.00 C ATOM 397 CG2 VAL A 30 13.840 -1.445 -5.099 1.00 0.00 C ATOM 0 H VAL A 30 12.502 0.238 -6.433 1.00 0.00 H new ATOM 0 HA VAL A 30 12.798 0.730 -3.722 1.00 0.00 H new ATOM 0 HB VAL A 30 14.979 0.217 -5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.197 -0.804 -3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 30 15.866 0.921 -3.625 1.00 0.00 H new ATOM 0 HG13 VAL A 30 14.889 -0.321 -2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.642 -2.164 -5.266 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.270 -1.735 -4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.181 -1.428 -5.967 1.00 0.00 H new ATOM 407 N PRO A 31 13.607 3.066 -3.436 1.00 0.00 N ATOM 408 CA PRO A 31 14.125 4.412 -3.175 1.00 0.00 C ATOM 409 C PRO A 31 15.610 4.404 -2.829 1.00 0.00 C ATOM 410 O PRO A 31 16.215 3.344 -2.671 1.00 0.00 O ATOM 411 CB PRO A 31 13.299 4.882 -1.975 1.00 0.00 C ATOM 412 CG PRO A 31 12.877 3.628 -1.290 1.00 0.00 C ATOM 413 CD PRO A 31 12.694 2.605 -2.377 1.00 0.00 C ATOM 0 HA PRO A 31 14.040 5.059 -4.048 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.889 5.516 -1.312 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.437 5.468 -2.293 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.629 3.304 -0.571 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.951 3.779 -0.736 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.951 1.603 -2.033 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.662 2.568 -2.724 1.00 0.00 H new ATOM 421 N ARG A 32 16.192 5.594 -2.714 1.00 0.00 N ATOM 422 CA ARG A 32 17.607 5.723 -2.388 1.00 0.00 C ATOM 423 C ARG A 32 17.793 6.409 -1.038 1.00 0.00 C ATOM 424 O ARG A 32 17.741 7.635 -0.941 1.00 0.00 O ATOM 425 CB ARG A 32 18.333 6.514 -3.478 1.00 0.00 C ATOM 426 CG ARG A 32 18.240 5.878 -4.856 1.00 0.00 C ATOM 427 CD ARG A 32 18.459 6.903 -5.958 1.00 0.00 C ATOM 428 NE ARG A 32 19.839 7.379 -5.996 1.00 0.00 N ATOM 429 CZ ARG A 32 20.289 8.261 -6.882 1.00 0.00 C ATOM 430 NH1 ARG A 32 19.471 8.760 -7.798 1.00 0.00 N ATOM 431 NH2 ARG A 32 21.558 8.646 -6.852 1.00 0.00 N ATOM 0 H ARG A 32 15.706 6.481 -2.842 1.00 0.00 H new ATOM 0 HA ARG A 32 18.034 4.722 -2.330 1.00 0.00 H new ATOM 0 HB2 ARG A 32 17.917 7.521 -3.523 1.00 0.00 H new ATOM 0 HB3 ARG A 32 19.383 6.615 -3.204 1.00 0.00 H new ATOM 0 HG2 ARG A 32 18.982 5.085 -4.943 1.00 0.00 H new ATOM 0 HG3 ARG A 32 17.261 5.414 -4.978 1.00 0.00 H new ATOM 0 HD2 ARG A 32 18.201 6.461 -6.921 1.00 0.00 H new ATOM 0 HD3 ARG A 32 17.788 7.748 -5.805 1.00 0.00 H new ATOM 0 HE ARG A 32 20.494 7.014 -5.304 1.00 0.00 H new ATOM 0 HH11 ARG A 32 18.494 8.467 -7.823 1.00 0.00 H new ATOM 0 HH12 ARG A 32 19.818 9.437 -8.477 1.00 0.00 H new ATOM 0 HH21 ARG A 32 22.190 8.265 -6.148 1.00 0.00 H new ATOM 0 HH22 ARG A 32 21.902 9.323 -7.533 1.00 0.00 H new ATOM 445 N ALA A 33 18.011 5.610 0.001 1.00 0.00 N ATOM 446 CA ALA A 33 18.206 6.140 1.345 1.00 0.00 C ATOM 447 C ALA A 33 19.666 6.514 1.580 1.00 0.00 C ATOM 448 O ALA A 33 20.587 5.851 1.103 1.00 0.00 O ATOM 449 CB ALA A 33 17.745 5.128 2.383 1.00 0.00 C ATOM 0 H ALA A 33 18.057 4.593 -0.062 1.00 0.00 H new ATOM 0 HA ALA A 33 17.606 7.044 1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 33 17.896 5.537 3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.687 4.912 2.236 1.00 0.00 H new ATOM 0 HB3 ALA A 33 18.321 4.209 2.276 1.00 0.00 H new ATOM 455 N PRO A 34 19.884 7.602 2.334 1.00 0.00 N ATOM 456 CA PRO A 34 21.230 8.089 2.649 1.00 0.00 C ATOM 457 C PRO A 34 21.974 7.160 3.602 1.00 0.00 C ATOM 458 O PRO A 34 23.132 6.812 3.368 1.00 0.00 O ATOM 459 CB PRO A 34 20.971 9.443 3.316 1.00 0.00 C ATOM 460 CG PRO A 34 19.596 9.330 3.879 1.00 0.00 C ATOM 461 CD PRO A 34 18.834 8.441 2.935 1.00 0.00 C ATOM 0 HA PRO A 34 21.859 8.149 1.761 1.00 0.00 H new ATOM 0 HB2 PRO A 34 21.703 9.646 4.097 1.00 0.00 H new ATOM 0 HB3 PRO A 34 21.038 10.259 2.596 1.00 0.00 H new ATOM 0 HG2 PRO A 34 19.619 8.905 4.883 1.00 0.00 H new ATOM 0 HG3 PRO A 34 19.125 10.310 3.958 1.00 0.00 H new ATOM 0 HD2 PRO A 34 18.091 7.840 3.460 1.00 0.00 H new ATOM 0 HD3 PRO A 34 18.301 9.019 2.180 1.00 0.00 H new ATOM 469 N SER A 35 21.302 6.761 4.677 1.00 0.00 N ATOM 470 CA SER A 35 21.902 5.875 5.668 1.00 0.00 C ATOM 471 C SER A 35 22.558 4.673 4.995 1.00 0.00 C ATOM 472 O SER A 35 23.739 4.399 5.203 1.00 0.00 O ATOM 473 CB SER A 35 20.843 5.400 6.665 1.00 0.00 C ATOM 474 OG SER A 35 21.437 5.006 7.890 1.00 0.00 O ATOM 0 H SER A 35 20.342 7.037 4.884 1.00 0.00 H new ATOM 0 HA SER A 35 22.670 6.434 6.203 1.00 0.00 H new ATOM 0 HB2 SER A 35 20.125 6.200 6.846 1.00 0.00 H new ATOM 0 HB3 SER A 35 20.288 4.563 6.240 1.00 0.00 H new ATOM 0 HG SER A 35 20.761 5.016 8.599 1.00 0.00 H new ATOM 480 N GLY A 36 21.781 3.958 4.186 1.00 0.00 N ATOM 481 CA GLY A 36 22.303 2.794 3.494 1.00 0.00 C ATOM 482 C GLY A 36 21.283 2.168 2.563 1.00 0.00 C ATOM 483 O GLY A 36 21.208 2.521 1.387 1.00 0.00 O ATOM 0 H GLY A 36 20.800 4.164 3.998 1.00 0.00 H new ATOM 0 HA2 GLY A 36 23.185 3.081 2.922 1.00 0.00 H new ATOM 0 HA3 GLY A 36 22.625 2.054 4.226 1.00 0.00 H new ATOM 487 N ALA A 37 20.498 1.234 3.090 1.00 0.00 N ATOM 488 CA ALA A 37 19.478 0.558 2.298 1.00 0.00 C ATOM 489 C ALA A 37 18.212 0.326 3.115 1.00 0.00 C ATOM 490 O ALA A 37 18.250 0.304 4.346 1.00 0.00 O ATOM 491 CB ALA A 37 20.014 -0.763 1.766 1.00 0.00 C ATOM 0 H ALA A 37 20.549 0.928 4.062 1.00 0.00 H new ATOM 0 HA ALA A 37 19.222 1.201 1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 37 19.242 -1.258 1.176 1.00 0.00 H new ATOM 0 HB2 ALA A 37 20.886 -0.576 1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 37 20.298 -1.403 2.601 1.00 0.00 H new ATOM 497 N VAL A 38 17.090 0.156 2.424 1.00 0.00 N ATOM 498 CA VAL A 38 15.811 -0.073 3.086 1.00 0.00 C ATOM 499 C VAL A 38 15.737 -1.481 3.665 1.00 0.00 C ATOM 500 O VAL A 38 16.109 -2.455 3.009 1.00 0.00 O ATOM 501 CB VAL A 38 14.632 0.133 2.116 1.00 0.00 C ATOM 502 CG1 VAL A 38 13.309 -0.124 2.822 1.00 0.00 C ATOM 503 CG2 VAL A 38 14.667 1.535 1.527 1.00 0.00 C ATOM 0 H VAL A 38 17.040 0.172 1.405 1.00 0.00 H new ATOM 0 HA VAL A 38 15.738 0.654 3.895 1.00 0.00 H new ATOM 0 HB VAL A 38 14.726 -0.583 1.299 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.488 0.026 2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.287 -1.149 3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.203 0.566 3.659 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.827 1.664 0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 38 14.597 2.269 2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 38 15.601 1.678 0.984 1.00 0.00 H new ATOM 513 N LEU A 39 15.255 -1.583 4.899 1.00 0.00 N ATOM 514 CA LEU A 39 15.132 -2.873 5.569 1.00 0.00 C ATOM 515 C LEU A 39 13.772 -3.505 5.286 1.00 0.00 C ATOM 516 O LEU A 39 13.679 -4.512 4.584 1.00 0.00 O ATOM 517 CB LEU A 39 15.327 -2.708 7.077 1.00 0.00 C ATOM 518 CG LEU A 39 16.640 -2.059 7.517 1.00 0.00 C ATOM 519 CD1 LEU A 39 16.495 -1.445 8.900 1.00 0.00 C ATOM 520 CD2 LEU A 39 17.770 -3.078 7.500 1.00 0.00 C ATOM 0 H LEU A 39 14.943 -0.788 5.456 1.00 0.00 H new ATOM 0 HA LEU A 39 15.907 -3.533 5.180 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.502 -2.112 7.467 1.00 0.00 H new ATOM 0 HB3 LEU A 39 15.257 -3.691 7.542 1.00 0.00 H new ATOM 0 HG LEU A 39 16.884 -1.264 6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 39 17.439 -0.988 9.196 1.00 0.00 H new ATOM 0 HD12 LEU A 39 15.714 -0.685 8.880 1.00 0.00 H new ATOM 0 HD13 LEU A 39 16.227 -2.221 9.617 1.00 0.00 H new ATOM 0 HD21 LEU A 39 18.697 -2.599 7.816 1.00 0.00 H new ATOM 0 HD22 LEU A 39 17.533 -3.895 8.181 1.00 0.00 H new ATOM 0 HD23 LEU A 39 17.890 -3.471 6.490 1.00 0.00 H new ATOM 532 N ASP A 40 12.722 -2.906 5.837 1.00 0.00 N ATOM 533 CA ASP A 40 11.367 -3.409 5.642 1.00 0.00 C ATOM 534 C ASP A 40 10.434 -2.292 5.185 1.00 0.00 C ATOM 535 O ASP A 40 10.845 -1.138 5.060 1.00 0.00 O ATOM 536 CB ASP A 40 10.840 -4.032 6.935 1.00 0.00 C ATOM 537 CG ASP A 40 10.974 -3.101 8.124 1.00 0.00 C ATOM 538 OD1 ASP A 40 10.316 -2.039 8.122 1.00 0.00 O ATOM 539 OD2 ASP A 40 11.735 -3.434 9.055 1.00 0.00 O ATOM 0 H ASP A 40 12.783 -2.072 6.422 1.00 0.00 H new ATOM 0 HA ASP A 40 11.398 -4.174 4.866 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.792 -4.301 6.804 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.383 -4.955 7.137 1.00 0.00 H new ATOM 544 N TYR A 41 9.177 -2.642 4.936 1.00 0.00 N ATOM 545 CA TYR A 41 8.187 -1.670 4.489 1.00 0.00 C ATOM 546 C TYR A 41 6.895 -1.800 5.290 1.00 0.00 C ATOM 547 O TYR A 41 6.720 -2.749 6.054 1.00 0.00 O ATOM 548 CB TYR A 41 7.896 -1.855 2.998 1.00 0.00 C ATOM 549 CG TYR A 41 9.110 -1.671 2.117 1.00 0.00 C ATOM 550 CD1 TYR A 41 10.052 -2.683 1.978 1.00 0.00 C ATOM 551 CD2 TYR A 41 9.317 -0.484 1.424 1.00 0.00 C ATOM 552 CE1 TYR A 41 11.164 -2.519 1.174 1.00 0.00 C ATOM 553 CE2 TYR A 41 10.425 -0.312 0.617 1.00 0.00 C ATOM 554 CZ TYR A 41 11.345 -1.332 0.496 1.00 0.00 C ATOM 555 OH TYR A 41 12.451 -1.163 -0.306 1.00 0.00 O ATOM 0 H TYR A 41 8.820 -3.592 5.036 1.00 0.00 H new ATOM 0 HA TYR A 41 8.596 -0.673 4.652 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.489 -2.853 2.837 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.127 -1.144 2.696 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.913 -3.614 2.507 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.599 0.318 1.518 1.00 0.00 H new ATOM 0 HE1 TYR A 41 11.887 -3.316 1.077 1.00 0.00 H new ATOM 0 HE2 TYR A 41 10.570 0.616 0.084 1.00 0.00 H new ATOM 0 HH TYR A 41 12.427 -0.272 -0.712 1.00 0.00 H new ATOM 565 N GLU A 42 5.994 -0.840 5.109 1.00 0.00 N ATOM 566 CA GLU A 42 4.718 -0.847 5.815 1.00 0.00 C ATOM 567 C GLU A 42 3.590 -0.373 4.904 1.00 0.00 C ATOM 568 O GLU A 42 3.533 0.797 4.524 1.00 0.00 O ATOM 569 CB GLU A 42 4.793 0.042 7.058 1.00 0.00 C ATOM 570 CG GLU A 42 3.860 -0.393 8.175 1.00 0.00 C ATOM 571 CD GLU A 42 4.430 -1.531 9.001 1.00 0.00 C ATOM 572 OE1 GLU A 42 5.661 -1.738 8.955 1.00 0.00 O ATOM 573 OE2 GLU A 42 3.646 -2.213 9.692 1.00 0.00 O ATOM 0 H GLU A 42 6.124 -0.048 4.480 1.00 0.00 H new ATOM 0 HA GLU A 42 4.507 -1.871 6.122 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.817 0.044 7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.555 1.067 6.776 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.657 0.457 8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.906 -0.702 7.747 1.00 0.00 H new ATOM 580 N VAL A 43 2.692 -1.290 4.557 1.00 0.00 N ATOM 581 CA VAL A 43 1.564 -0.966 3.692 1.00 0.00 C ATOM 582 C VAL A 43 0.316 -0.655 4.509 1.00 0.00 C ATOM 583 O VAL A 43 -0.192 -1.508 5.238 1.00 0.00 O ATOM 584 CB VAL A 43 1.254 -2.120 2.720 1.00 0.00 C ATOM 585 CG1 VAL A 43 0.033 -1.792 1.873 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.459 -2.415 1.841 1.00 0.00 C ATOM 0 H VAL A 43 2.724 -2.263 4.862 1.00 0.00 H new ATOM 0 HA VAL A 43 1.848 -0.083 3.119 1.00 0.00 H new ATOM 0 HB VAL A 43 1.032 -3.013 3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.171 -2.619 1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.829 -1.636 2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.222 -0.886 1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.222 -3.233 1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.715 -1.526 1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.305 -2.698 2.467 1.00 0.00 H new ATOM 596 N LYS A 44 -0.176 0.573 4.383 1.00 0.00 N ATOM 597 CA LYS A 44 -1.367 0.999 5.108 1.00 0.00 C ATOM 598 C LYS A 44 -2.491 1.362 4.143 1.00 0.00 C ATOM 599 O LYS A 44 -2.336 2.244 3.299 1.00 0.00 O ATOM 600 CB LYS A 44 -1.043 2.196 6.004 1.00 0.00 C ATOM 601 CG LYS A 44 -2.250 2.747 6.744 1.00 0.00 C ATOM 602 CD LYS A 44 -1.974 4.130 7.310 1.00 0.00 C ATOM 603 CE LYS A 44 -2.776 4.384 8.577 1.00 0.00 C ATOM 604 NZ LYS A 44 -2.144 5.425 9.434 1.00 0.00 N ATOM 0 H LYS A 44 0.232 1.291 3.785 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.700 0.168 5.729 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.286 1.901 6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.608 2.988 5.394 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.103 2.794 6.067 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.522 2.069 7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.910 4.231 7.525 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.221 4.885 6.564 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.786 4.696 8.311 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.868 3.456 9.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.721 5.569 10.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.190 5.116 9.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.080 6.318 8.905 1.00 0.00 H new ATOM 618 N TYR A 45 -3.622 0.678 4.275 1.00 0.00 N ATOM 619 CA TYR A 45 -4.772 0.928 3.414 1.00 0.00 C ATOM 620 C TYR A 45 -6.064 0.952 4.224 1.00 0.00 C ATOM 621 O TYR A 45 -6.231 0.185 5.173 1.00 0.00 O ATOM 622 CB TYR A 45 -4.860 -0.140 2.323 1.00 0.00 C ATOM 623 CG TYR A 45 -4.892 -1.553 2.860 1.00 0.00 C ATOM 624 CD1 TYR A 45 -3.758 -2.132 3.416 1.00 0.00 C ATOM 625 CD2 TYR A 45 -6.057 -2.309 2.812 1.00 0.00 C ATOM 626 CE1 TYR A 45 -3.782 -3.422 3.907 1.00 0.00 C ATOM 627 CE2 TYR A 45 -6.091 -3.601 3.302 1.00 0.00 C ATOM 628 CZ TYR A 45 -4.951 -4.153 3.848 1.00 0.00 C ATOM 629 OH TYR A 45 -4.979 -5.439 4.337 1.00 0.00 O ATOM 0 H TYR A 45 -3.767 -0.054 4.970 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.639 1.904 2.948 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.756 0.034 1.728 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.007 -0.034 1.653 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.841 -1.563 3.465 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.951 -1.880 2.385 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.891 -3.857 4.335 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.005 -4.175 3.258 1.00 0.00 H new ATOM 0 HH TYR A 45 -5.877 -5.814 4.221 1.00 0.00 H new ATOM 639 N HIS A 46 -6.978 1.839 3.842 1.00 0.00 N ATOM 640 CA HIS A 46 -8.258 1.963 4.531 1.00 0.00 C ATOM 641 C HIS A 46 -9.333 2.493 3.588 1.00 0.00 C ATOM 642 O HIS A 46 -9.130 3.494 2.900 1.00 0.00 O ATOM 643 CB HIS A 46 -8.122 2.889 5.740 1.00 0.00 C ATOM 644 CG HIS A 46 -8.387 4.329 5.425 1.00 0.00 C ATOM 645 ND1 HIS A 46 -9.385 5.061 6.033 1.00 0.00 N ATOM 646 CD2 HIS A 46 -7.777 5.173 4.560 1.00 0.00 C ATOM 647 CE1 HIS A 46 -9.378 6.293 5.555 1.00 0.00 C ATOM 648 NE2 HIS A 46 -8.412 6.387 4.660 1.00 0.00 N ATOM 0 H HIS A 46 -6.856 2.482 3.060 1.00 0.00 H new ATOM 0 HA HIS A 46 -8.556 0.972 4.873 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -8.813 2.562 6.517 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.116 2.794 6.148 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -10.028 4.707 6.741 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.946 4.936 3.912 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -10.048 7.088 5.847 1.00 0.00 H new ATOM 657 N GLU A 47 -10.477 1.816 3.561 1.00 0.00 N ATOM 658 CA GLU A 47 -11.583 2.219 2.700 1.00 0.00 C ATOM 659 C GLU A 47 -11.776 3.732 2.736 1.00 0.00 C ATOM 660 O GLU A 47 -11.371 4.399 3.688 1.00 0.00 O ATOM 661 CB GLU A 47 -12.873 1.518 3.130 1.00 0.00 C ATOM 662 CG GLU A 47 -13.858 1.306 1.992 1.00 0.00 C ATOM 663 CD GLU A 47 -15.250 0.957 2.483 1.00 0.00 C ATOM 664 OE1 GLU A 47 -15.823 1.753 3.256 1.00 0.00 O ATOM 665 OE2 GLU A 47 -15.766 -0.112 2.094 1.00 0.00 O ATOM 0 H GLU A 47 -10.662 0.987 4.125 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.342 1.925 1.678 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.623 0.552 3.568 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.354 2.107 3.911 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.907 2.210 1.385 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.494 0.508 1.345 1.00 0.00 H new ATOM 672 N LYS A 48 -12.398 4.267 1.691 1.00 0.00 N ATOM 673 CA LYS A 48 -12.648 5.701 1.601 1.00 0.00 C ATOM 674 C LYS A 48 -13.983 6.063 2.243 1.00 0.00 C ATOM 675 O LYS A 48 -14.637 7.023 1.840 1.00 0.00 O ATOM 676 CB LYS A 48 -12.635 6.150 0.138 1.00 0.00 C ATOM 677 CG LYS A 48 -12.480 7.651 -0.036 1.00 0.00 C ATOM 678 CD LYS A 48 -11.135 8.136 0.479 1.00 0.00 C ATOM 679 CE LYS A 48 -10.911 9.605 0.156 1.00 0.00 C ATOM 680 NZ LYS A 48 -10.043 10.269 1.167 1.00 0.00 N ATOM 0 H LYS A 48 -12.738 3.729 0.894 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.854 6.217 2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.819 5.646 -0.381 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.561 5.831 -0.340 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.581 7.908 -1.090 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.281 8.165 0.496 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.082 7.987 1.558 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.338 7.539 0.036 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.454 9.695 -0.830 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.872 10.117 0.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.377 11.241 1.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.082 9.738 2.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.062 10.292 0.821 1.00 0.00 H new ATOM 769 N VAL A 56 -8.815 0.683 8.767 1.00 0.00 N ATOM 770 CA VAL A 56 -7.425 0.787 8.337 1.00 0.00 C ATOM 771 C VAL A 56 -6.625 -0.439 8.763 1.00 0.00 C ATOM 772 O VAL A 56 -6.532 -0.750 9.951 1.00 0.00 O ATOM 773 CB VAL A 56 -6.754 2.049 8.910 1.00 0.00 C ATOM 774 CG1 VAL A 56 -6.751 2.010 10.430 1.00 0.00 C ATOM 775 CG2 VAL A 56 -5.339 2.191 8.369 1.00 0.00 C ATOM 0 HA VAL A 56 -7.434 0.851 7.249 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.329 2.920 8.595 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -6.273 2.910 10.816 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.777 1.959 10.795 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.201 1.133 10.770 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.879 3.088 8.784 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.752 1.318 8.653 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.371 2.269 7.282 1.00 0.00 H new ATOM 785 N ARG A 57 -6.047 -1.131 7.787 1.00 0.00 N ATOM 786 CA ARG A 57 -5.255 -2.323 8.060 1.00 0.00 C ATOM 787 C ARG A 57 -3.771 -2.056 7.824 1.00 0.00 C ATOM 788 O ARG A 57 -3.401 -1.069 7.187 1.00 0.00 O ATOM 789 CB ARG A 57 -5.721 -3.484 7.181 1.00 0.00 C ATOM 790 CG ARG A 57 -6.991 -4.154 7.679 1.00 0.00 C ATOM 791 CD ARG A 57 -6.682 -5.277 8.657 1.00 0.00 C ATOM 792 NE ARG A 57 -7.880 -6.026 9.027 1.00 0.00 N ATOM 793 CZ ARG A 57 -7.911 -6.929 10.000 1.00 0.00 C ATOM 794 NH1 ARG A 57 -6.815 -7.194 10.698 1.00 0.00 N ATOM 795 NH2 ARG A 57 -9.039 -7.570 10.278 1.00 0.00 N ATOM 0 H ARG A 57 -6.113 -0.886 6.799 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.397 -2.590 9.107 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.887 -3.118 6.168 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.926 -4.228 7.125 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.628 -3.414 8.163 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.550 -4.551 6.832 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.954 -5.955 8.212 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.223 -4.861 9.554 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.740 -5.845 8.509 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.946 -6.704 10.488 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.841 -7.888 11.445 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.884 -7.369 9.744 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.061 -8.263 11.026 1.00 0.00 H new ATOM 809 N PHE A 58 -2.926 -2.941 8.341 1.00 0.00 N ATOM 810 CA PHE A 58 -1.482 -2.800 8.188 1.00 0.00 C ATOM 811 C PHE A 58 -0.860 -4.098 7.681 1.00 0.00 C ATOM 812 O PHE A 58 -1.123 -5.176 8.216 1.00 0.00 O ATOM 813 CB PHE A 58 -0.843 -2.401 9.520 1.00 0.00 C ATOM 814 CG PHE A 58 -0.914 -0.928 9.801 1.00 0.00 C ATOM 815 CD1 PHE A 58 -2.095 -0.347 10.231 1.00 0.00 C ATOM 816 CD2 PHE A 58 0.202 -0.123 9.634 1.00 0.00 C ATOM 817 CE1 PHE A 58 -2.163 1.010 10.490 1.00 0.00 C ATOM 818 CE2 PHE A 58 0.141 1.233 9.892 1.00 0.00 C ATOM 819 CZ PHE A 58 -1.043 1.800 10.321 1.00 0.00 C ATOM 0 H PHE A 58 -3.216 -3.764 8.870 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.294 -2.016 7.454 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.338 -2.941 10.327 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.201 -2.713 9.521 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.973 -0.961 10.366 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.130 -0.561 9.298 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.091 1.451 10.824 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.018 1.849 9.758 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.093 2.860 10.524 1.00 0.00 H new ATOM 829 N LEU A 59 -0.035 -3.986 6.646 1.00 0.00 N ATOM 830 CA LEU A 59 0.625 -5.150 6.065 1.00 0.00 C ATOM 831 C LEU A 59 2.130 -4.927 5.961 1.00 0.00 C ATOM 832 O LEU A 59 2.586 -3.981 5.318 1.00 0.00 O ATOM 833 CB LEU A 59 0.046 -5.451 4.681 1.00 0.00 C ATOM 834 CG LEU A 59 0.840 -6.435 3.821 1.00 0.00 C ATOM 835 CD1 LEU A 59 0.439 -7.867 4.138 1.00 0.00 C ATOM 836 CD2 LEU A 59 0.635 -6.137 2.343 1.00 0.00 C ATOM 0 H LEU A 59 0.193 -3.102 6.192 1.00 0.00 H new ATOM 0 HA LEU A 59 0.447 -6.003 6.720 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.963 -5.843 4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.044 -4.512 4.135 1.00 0.00 H new ATOM 0 HG LEU A 59 1.899 -6.317 4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.015 -8.552 3.516 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.638 -8.076 5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.624 -8.000 3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.207 -6.847 1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.423 -6.226 2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.974 -5.124 2.126 1.00 0.00 H new ATOM 848 N LYS A 60 2.899 -5.805 6.596 1.00 0.00 N ATOM 849 CA LYS A 60 4.353 -5.707 6.573 1.00 0.00 C ATOM 850 C LYS A 60 4.950 -6.704 5.585 1.00 0.00 C ATOM 851 O LYS A 60 4.598 -7.885 5.588 1.00 0.00 O ATOM 852 CB LYS A 60 4.924 -5.955 7.971 1.00 0.00 C ATOM 853 CG LYS A 60 4.698 -4.802 8.934 1.00 0.00 C ATOM 854 CD LYS A 60 4.747 -5.265 10.380 1.00 0.00 C ATOM 855 CE LYS A 60 5.217 -4.154 11.306 1.00 0.00 C ATOM 856 NZ LYS A 60 5.805 -4.691 12.564 1.00 0.00 N ATOM 0 H LYS A 60 2.539 -6.593 7.134 1.00 0.00 H new ATOM 0 HA LYS A 60 4.619 -4.700 6.252 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.472 -6.856 8.384 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.994 -6.144 7.889 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.456 -4.036 8.770 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.731 -4.342 8.731 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.758 -5.603 10.689 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.417 -6.120 10.467 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.958 -3.542 10.792 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.377 -3.503 11.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.113 -3.902 13.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.091 -5.254 13.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.623 -5.292 12.336 1.00 0.00 H new ATOM 870 N THR A 61 5.857 -6.223 4.740 1.00 0.00 N ATOM 871 CA THR A 61 6.503 -7.071 3.747 1.00 0.00 C ATOM 872 C THR A 61 7.913 -6.582 3.439 1.00 0.00 C ATOM 873 O THR A 61 8.101 -5.463 2.960 1.00 0.00 O ATOM 874 CB THR A 61 5.692 -7.122 2.438 1.00 0.00 C ATOM 875 OG1 THR A 61 6.394 -7.891 1.456 1.00 0.00 O ATOM 876 CG2 THR A 61 5.437 -5.720 1.905 1.00 0.00 C ATOM 0 H THR A 61 6.161 -5.249 4.724 1.00 0.00 H new ATOM 0 HA THR A 61 6.554 -8.073 4.173 1.00 0.00 H new ATOM 0 HB THR A 61 4.732 -7.594 2.649 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.871 -7.920 0.628 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.863 -5.781 0.980 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.876 -5.147 2.643 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.389 -5.227 1.709 1.00 0.00 H new ATOM 884 N SER A 62 8.901 -7.426 3.716 1.00 0.00 N ATOM 885 CA SER A 62 10.296 -7.077 3.471 1.00 0.00 C ATOM 886 C SER A 62 10.519 -6.727 2.003 1.00 0.00 C ATOM 887 O SER A 62 11.495 -6.065 1.654 1.00 0.00 O ATOM 888 CB SER A 62 11.212 -8.235 3.875 1.00 0.00 C ATOM 889 OG SER A 62 11.195 -9.263 2.900 1.00 0.00 O ATOM 0 H SER A 62 8.762 -8.356 4.110 1.00 0.00 H new ATOM 0 HA SER A 62 10.537 -6.203 4.076 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.231 -7.869 4.004 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.893 -8.637 4.837 1.00 0.00 H new ATOM 0 HG SER A 62 11.789 -9.990 3.181 1.00 0.00 H new ATOM 895 N GLU A 63 9.605 -7.176 1.148 1.00 0.00 N ATOM 896 CA GLU A 63 9.701 -6.911 -0.282 1.00 0.00 C ATOM 897 C GLU A 63 9.042 -5.580 -0.634 1.00 0.00 C ATOM 898 O GLU A 63 8.223 -5.062 0.123 1.00 0.00 O ATOM 899 CB GLU A 63 9.049 -8.042 -1.079 1.00 0.00 C ATOM 900 CG GLU A 63 9.984 -9.206 -1.361 1.00 0.00 C ATOM 901 CD GLU A 63 9.250 -10.526 -1.491 1.00 0.00 C ATOM 902 OE1 GLU A 63 8.203 -10.691 -0.831 1.00 0.00 O ATOM 903 OE2 GLU A 63 9.723 -11.395 -2.254 1.00 0.00 O ATOM 0 H GLU A 63 8.790 -7.725 1.421 1.00 0.00 H new ATOM 0 HA GLU A 63 10.757 -6.855 -0.544 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.182 -8.409 -0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.683 -7.644 -2.025 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.536 -9.009 -2.280 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.718 -9.280 -0.558 1.00 0.00 H new ATOM 910 N ASN A 64 9.407 -5.033 -1.789 1.00 0.00 N ATOM 911 CA ASN A 64 8.852 -3.763 -2.242 1.00 0.00 C ATOM 912 C ASN A 64 7.562 -3.981 -3.027 1.00 0.00 C ATOM 913 O ASN A 64 7.202 -3.175 -3.885 1.00 0.00 O ATOM 914 CB ASN A 64 9.870 -3.018 -3.109 1.00 0.00 C ATOM 915 CG ASN A 64 9.920 -3.551 -4.528 1.00 0.00 C ATOM 916 OD1 ASN A 64 9.870 -4.760 -4.751 1.00 0.00 O ATOM 917 ND2 ASN A 64 10.021 -2.647 -5.496 1.00 0.00 N ATOM 0 H ASN A 64 10.084 -5.449 -2.428 1.00 0.00 H new ATOM 0 HA ASN A 64 8.623 -3.161 -1.362 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.618 -1.958 -3.131 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.858 -3.102 -2.657 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.060 -2.946 -6.471 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.059 -1.654 -5.265 1.00 0.00 H new ATOM 924 N ARG A 65 6.872 -5.076 -2.727 1.00 0.00 N ATOM 925 CA ARG A 65 5.622 -5.401 -3.405 1.00 0.00 C ATOM 926 C ARG A 65 4.712 -6.227 -2.500 1.00 0.00 C ATOM 927 O ARG A 65 5.184 -6.983 -1.652 1.00 0.00 O ATOM 928 CB ARG A 65 5.903 -6.167 -4.699 1.00 0.00 C ATOM 929 CG ARG A 65 6.728 -7.427 -4.494 1.00 0.00 C ATOM 930 CD ARG A 65 6.981 -8.147 -5.809 1.00 0.00 C ATOM 931 NE ARG A 65 5.857 -8.996 -6.194 1.00 0.00 N ATOM 932 CZ ARG A 65 5.817 -9.698 -7.321 1.00 0.00 C ATOM 933 NH1 ARG A 65 6.834 -9.652 -8.170 1.00 0.00 N ATOM 934 NH2 ARG A 65 4.759 -10.447 -7.600 1.00 0.00 N ATOM 0 H ARG A 65 7.157 -5.753 -2.019 1.00 0.00 H new ATOM 0 HA ARG A 65 5.115 -4.467 -3.647 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.955 -6.435 -5.165 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.426 -5.510 -5.394 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.680 -7.168 -4.030 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.209 -8.095 -3.806 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.167 -7.414 -6.594 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.881 -8.755 -5.722 1.00 0.00 H new ATOM 0 HE ARG A 65 5.058 -9.053 -5.562 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.649 -9.077 -7.958 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.801 -10.192 -9.035 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.975 -10.485 -6.949 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.729 -10.986 -8.466 1.00 0.00 H new ATOM 948 N ALA A 66 3.405 -6.075 -2.687 1.00 0.00 N ATOM 949 CA ALA A 66 2.429 -6.807 -1.890 1.00 0.00 C ATOM 950 C ALA A 66 1.158 -7.076 -2.688 1.00 0.00 C ATOM 951 O ALA A 66 0.963 -6.517 -3.767 1.00 0.00 O ATOM 952 CB ALA A 66 2.103 -6.038 -0.618 1.00 0.00 C ATOM 0 H ALA A 66 2.998 -5.451 -3.384 1.00 0.00 H new ATOM 0 HA ALA A 66 2.866 -7.768 -1.619 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.373 -6.596 -0.032 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.012 -5.903 -0.031 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.691 -5.063 -0.878 1.00 0.00 H new ATOM 958 N GLU A 67 0.298 -7.935 -2.151 1.00 0.00 N ATOM 959 CA GLU A 67 -0.954 -8.278 -2.816 1.00 0.00 C ATOM 960 C GLU A 67 -2.092 -8.396 -1.806 1.00 0.00 C ATOM 961 O GLU A 67 -2.065 -9.252 -0.921 1.00 0.00 O ATOM 962 CB GLU A 67 -0.804 -9.591 -3.588 1.00 0.00 C ATOM 963 CG GLU A 67 -2.031 -9.960 -4.405 1.00 0.00 C ATOM 964 CD GLU A 67 -1.775 -11.118 -5.351 1.00 0.00 C ATOM 965 OE1 GLU A 67 -1.769 -12.275 -4.882 1.00 0.00 O ATOM 966 OE2 GLU A 67 -1.582 -10.866 -6.558 1.00 0.00 O ATOM 0 H GLU A 67 0.445 -8.406 -1.258 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.195 -7.478 -3.517 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.056 -9.515 -4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.592 -10.395 -2.883 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.847 -10.220 -3.731 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.356 -9.092 -4.979 1.00 0.00 H new ATOM 973 N LEU A 68 -3.090 -7.531 -1.945 1.00 0.00 N ATOM 974 CA LEU A 68 -4.238 -7.537 -1.045 1.00 0.00 C ATOM 975 C LEU A 68 -5.305 -8.513 -1.530 1.00 0.00 C ATOM 976 O LEU A 68 -5.613 -8.570 -2.721 1.00 0.00 O ATOM 977 CB LEU A 68 -4.830 -6.131 -0.933 1.00 0.00 C ATOM 978 CG LEU A 68 -3.893 -5.049 -0.395 1.00 0.00 C ATOM 979 CD1 LEU A 68 -4.611 -3.710 -0.323 1.00 0.00 C ATOM 980 CD2 LEU A 68 -3.354 -5.442 0.972 1.00 0.00 C ATOM 0 H LEU A 68 -3.128 -6.817 -2.672 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.896 -7.860 -0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.177 -5.825 -1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.707 -6.178 -0.287 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.051 -4.950 -1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.929 -2.952 0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.947 -3.423 -1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.472 -3.794 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.689 -4.660 1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.184 -5.569 1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.802 -6.379 0.890 1.00 0.00 H new ATOM 992 N ARG A 69 -5.866 -9.278 -0.600 1.00 0.00 N ATOM 993 CA ARG A 69 -6.900 -10.251 -0.932 1.00 0.00 C ATOM 994 C ARG A 69 -8.233 -9.867 -0.298 1.00 0.00 C ATOM 995 O ARG A 69 -8.279 -9.082 0.648 1.00 0.00 O ATOM 996 CB ARG A 69 -6.484 -11.648 -0.464 1.00 0.00 C ATOM 997 CG ARG A 69 -5.566 -12.368 -1.438 1.00 0.00 C ATOM 998 CD ARG A 69 -4.635 -13.330 -0.718 1.00 0.00 C ATOM 999 NE ARG A 69 -5.365 -14.416 -0.069 1.00 0.00 N ATOM 1000 CZ ARG A 69 -4.793 -15.540 0.347 1.00 0.00 C ATOM 1001 NH1 ARG A 69 -3.491 -15.725 0.184 1.00 0.00 N ATOM 1002 NH2 ARG A 69 -5.525 -16.482 0.929 1.00 0.00 N ATOM 0 H ARG A 69 -5.622 -9.243 0.390 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.022 -10.258 -2.015 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.983 -11.565 0.500 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.378 -12.251 -0.307 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -6.164 -12.915 -2.167 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.978 -11.637 -1.993 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -3.923 -13.747 -1.430 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.057 -12.785 0.028 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.369 -14.305 0.072 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.925 -15.003 -0.262 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.055 -16.589 0.505 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.527 -16.343 1.057 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.085 -17.345 1.248 1.00 0.00 H new ATOM 1016 N GLY A 70 -9.318 -10.425 -0.827 1.00 0.00 N ATOM 1017 CA GLY A 70 -10.637 -10.128 -0.300 1.00 0.00 C ATOM 1018 C GLY A 70 -10.925 -8.641 -0.263 1.00 0.00 C ATOM 1019 O GLY A 70 -10.785 -7.999 0.779 1.00 0.00 O ATOM 0 H GLY A 70 -9.307 -11.077 -1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.390 -10.626 -0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.723 -10.537 0.707 1.00 0.00 H new ATOM 1023 N LEU A 71 -11.327 -8.089 -1.403 1.00 0.00 N ATOM 1024 CA LEU A 71 -11.634 -6.666 -1.498 1.00 0.00 C ATOM 1025 C LEU A 71 -12.888 -6.434 -2.335 1.00 0.00 C ATOM 1026 O LEU A 71 -13.482 -7.377 -2.858 1.00 0.00 O ATOM 1027 CB LEU A 71 -10.453 -5.909 -2.108 1.00 0.00 C ATOM 1028 CG LEU A 71 -9.151 -5.939 -1.306 1.00 0.00 C ATOM 1029 CD1 LEU A 71 -7.994 -5.425 -2.149 1.00 0.00 C ATOM 1030 CD2 LEU A 71 -9.291 -5.119 -0.032 1.00 0.00 C ATOM 0 H LEU A 71 -11.448 -8.605 -2.274 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.817 -6.291 -0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.256 -6.320 -3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.747 -4.869 -2.247 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.941 -6.972 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.076 -5.453 -1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.880 -6.053 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.196 -4.399 -2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.355 -5.151 0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.525 -4.086 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.093 -5.532 0.580 1.00 0.00 H new ATOM 1042 N LYS A 72 -13.285 -5.172 -2.460 1.00 0.00 N ATOM 1043 CA LYS A 72 -14.466 -4.814 -3.236 1.00 0.00 C ATOM 1044 C LYS A 72 -14.073 -4.285 -4.611 1.00 0.00 C ATOM 1045 O LYS A 72 -13.280 -3.350 -4.723 1.00 0.00 O ATOM 1046 CB LYS A 72 -15.293 -3.764 -2.490 1.00 0.00 C ATOM 1047 CG LYS A 72 -15.940 -4.289 -1.220 1.00 0.00 C ATOM 1048 CD LYS A 72 -16.498 -3.159 -0.371 1.00 0.00 C ATOM 1049 CE LYS A 72 -16.869 -3.641 1.023 1.00 0.00 C ATOM 1050 NZ LYS A 72 -18.271 -4.140 1.083 1.00 0.00 N ATOM 0 H LYS A 72 -12.805 -4.379 -2.033 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.068 -5.713 -3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.651 -2.920 -2.238 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.070 -3.387 -3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.741 -4.981 -1.478 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.206 -4.851 -0.642 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.760 -2.360 -0.297 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.377 -2.737 -0.857 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.187 -4.436 1.326 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.743 -2.825 1.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.485 -4.459 2.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.924 -3.374 0.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.385 -4.935 0.423 1.00 0.00 H new ATOM 1064 N ARG A 73 -14.634 -4.887 -5.655 1.00 0.00 N ATOM 1065 CA ARG A 73 -14.342 -4.475 -7.023 1.00 0.00 C ATOM 1066 C ARG A 73 -15.169 -3.253 -7.411 1.00 0.00 C ATOM 1067 O ARG A 73 -15.280 -2.915 -8.588 1.00 0.00 O ATOM 1068 CB ARG A 73 -14.621 -5.623 -7.994 1.00 0.00 C ATOM 1069 CG ARG A 73 -16.066 -6.094 -7.981 1.00 0.00 C ATOM 1070 CD ARG A 73 -16.177 -7.564 -8.356 1.00 0.00 C ATOM 1071 NE ARG A 73 -17.558 -7.960 -8.619 1.00 0.00 N ATOM 1072 CZ ARG A 73 -17.899 -9.130 -9.147 1.00 0.00 C ATOM 1073 NH1 ARG A 73 -16.965 -10.014 -9.467 1.00 0.00 N ATOM 1074 NH2 ARG A 73 -19.177 -9.417 -9.357 1.00 0.00 N ATOM 0 H ARG A 73 -15.293 -5.662 -5.580 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.286 -4.210 -7.079 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.360 -5.305 -9.004 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.972 -6.463 -7.747 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -16.492 -5.937 -6.990 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.651 -5.494 -8.678 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.570 -7.759 -9.240 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.772 -8.175 -7.549 1.00 0.00 H new ATOM 0 HE ARG A 73 -18.301 -7.302 -8.384 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.981 -9.797 -9.308 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.230 -10.912 -9.872 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.899 -8.739 -9.113 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.438 -10.316 -9.763 1.00 0.00 H new ATOM 1088 N GLY A 74 -15.749 -2.595 -6.411 1.00 0.00 N ATOM 1089 CA GLY A 74 -16.559 -1.419 -6.669 1.00 0.00 C ATOM 1090 C GLY A 74 -16.531 -0.432 -5.519 1.00 0.00 C ATOM 1091 O GLY A 74 -17.577 -0.034 -5.008 1.00 0.00 O ATOM 0 H GLY A 74 -15.672 -2.855 -5.428 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -16.202 -0.928 -7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -17.588 -1.725 -6.856 1.00 0.00 H new ATOM 1095 N ALA A 75 -15.329 -0.039 -5.109 1.00 0.00 N ATOM 1096 CA ALA A 75 -15.169 0.908 -4.012 1.00 0.00 C ATOM 1097 C ALA A 75 -13.780 1.538 -4.029 1.00 0.00 C ATOM 1098 O ALA A 75 -12.845 0.986 -4.608 1.00 0.00 O ATOM 1099 CB ALA A 75 -15.421 0.218 -2.679 1.00 0.00 C ATOM 0 H ALA A 75 -14.453 -0.361 -5.520 1.00 0.00 H new ATOM 0 HA ALA A 75 -15.902 1.704 -4.142 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.298 0.936 -1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -16.436 -0.179 -2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.710 -0.598 -2.551 1.00 0.00 H new ATOM 1105 N SER A 76 -13.653 2.697 -3.391 1.00 0.00 N ATOM 1106 CA SER A 76 -12.379 3.405 -3.338 1.00 0.00 C ATOM 1107 C SER A 76 -11.514 2.879 -2.197 1.00 0.00 C ATOM 1108 O SER A 76 -12.016 2.547 -1.123 1.00 0.00 O ATOM 1109 CB SER A 76 -12.613 4.907 -3.165 1.00 0.00 C ATOM 1110 OG SER A 76 -12.816 5.538 -4.417 1.00 0.00 O ATOM 0 H SER A 76 -14.417 3.166 -2.904 1.00 0.00 H new ATOM 0 HA SER A 76 -11.855 3.232 -4.278 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.480 5.072 -2.526 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.757 5.356 -2.662 1.00 0.00 H new ATOM 0 HG SER A 76 -12.965 6.497 -4.280 1.00 0.00 H new ATOM 1116 N TYR A 77 -10.209 2.805 -2.438 1.00 0.00 N ATOM 1117 CA TYR A 77 -9.272 2.317 -1.433 1.00 0.00 C ATOM 1118 C TYR A 77 -7.974 3.118 -1.465 1.00 0.00 C ATOM 1119 O TYR A 77 -7.222 3.065 -2.439 1.00 0.00 O ATOM 1120 CB TYR A 77 -8.976 0.834 -1.660 1.00 0.00 C ATOM 1121 CG TYR A 77 -9.918 -0.092 -0.924 1.00 0.00 C ATOM 1122 CD1 TYR A 77 -9.898 -0.175 0.463 1.00 0.00 C ATOM 1123 CD2 TYR A 77 -10.828 -0.883 -1.614 1.00 0.00 C ATOM 1124 CE1 TYR A 77 -10.756 -1.020 1.140 1.00 0.00 C ATOM 1125 CE2 TYR A 77 -11.691 -1.729 -0.945 1.00 0.00 C ATOM 1126 CZ TYR A 77 -11.651 -1.794 0.432 1.00 0.00 C ATOM 1127 OH TYR A 77 -12.508 -2.637 1.102 1.00 0.00 O ATOM 0 H TYR A 77 -9.776 3.077 -3.321 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.731 2.443 -0.452 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.031 0.621 -2.728 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.954 0.624 -1.345 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.200 0.431 1.021 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.861 -0.836 -2.692 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.726 -1.074 2.218 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -12.393 -2.336 -1.497 1.00 0.00 H new ATOM 0 HH TYR A 77 -13.074 -3.110 0.456 1.00 0.00 H new ATOM 1137 N LEU A 78 -7.717 3.857 -0.392 1.00 0.00 N ATOM 1138 CA LEU A 78 -6.509 4.670 -0.295 1.00 0.00 C ATOM 1139 C LEU A 78 -5.331 3.836 0.199 1.00 0.00 C ATOM 1140 O LEU A 78 -5.288 3.428 1.360 1.00 0.00 O ATOM 1141 CB LEU A 78 -6.741 5.853 0.647 1.00 0.00 C ATOM 1142 CG LEU A 78 -7.853 6.822 0.244 1.00 0.00 C ATOM 1143 CD1 LEU A 78 -8.071 7.865 1.330 1.00 0.00 C ATOM 1144 CD2 LEU A 78 -7.523 7.492 -1.082 1.00 0.00 C ATOM 0 H LEU A 78 -8.328 3.910 0.423 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.273 5.047 -1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.968 5.463 1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.810 6.414 0.730 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.776 6.255 0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.866 8.546 1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.353 7.370 2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.150 8.428 1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.326 8.178 -1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.589 8.046 -0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.418 6.733 -1.857 1.00 0.00 H new ATOM 1156 N VAL A 79 -4.374 3.588 -0.690 1.00 0.00 N ATOM 1157 CA VAL A 79 -3.193 2.806 -0.345 1.00 0.00 C ATOM 1158 C VAL A 79 -1.979 3.705 -0.142 1.00 0.00 C ATOM 1159 O VAL A 79 -1.736 4.621 -0.926 1.00 0.00 O ATOM 1160 CB VAL A 79 -2.871 1.764 -1.433 1.00 0.00 C ATOM 1161 CG1 VAL A 79 -1.654 0.941 -1.041 1.00 0.00 C ATOM 1162 CG2 VAL A 79 -4.074 0.867 -1.683 1.00 0.00 C ATOM 0 H VAL A 79 -4.394 3.918 -1.655 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.418 2.288 0.587 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.640 2.290 -2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.442 0.210 -1.822 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.794 1.599 -0.917 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.852 0.422 -0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.829 0.137 -2.454 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.338 0.347 -0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.918 1.473 -2.012 1.00 0.00 H new ATOM 1172 N GLN A 80 -1.220 3.436 0.915 1.00 0.00 N ATOM 1173 CA GLN A 80 -0.030 4.221 1.221 1.00 0.00 C ATOM 1174 C GLN A 80 1.134 3.316 1.612 1.00 0.00 C ATOM 1175 O GLN A 80 1.063 2.591 2.604 1.00 0.00 O ATOM 1176 CB GLN A 80 -0.323 5.211 2.349 1.00 0.00 C ATOM 1177 CG GLN A 80 -1.058 6.459 1.888 1.00 0.00 C ATOM 1178 CD GLN A 80 -2.486 6.173 1.467 1.00 0.00 C ATOM 1179 OE1 GLN A 80 -2.914 6.558 0.378 1.00 0.00 O ATOM 1180 NE2 GLN A 80 -3.234 5.495 2.330 1.00 0.00 N ATOM 0 H GLN A 80 -1.408 2.680 1.574 1.00 0.00 H new ATOM 0 HA GLN A 80 0.250 4.775 0.325 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -0.917 4.711 3.114 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.617 5.505 2.816 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.061 7.193 2.694 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -0.519 6.905 1.052 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -2.839 5.195 3.221 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -4.203 5.274 2.101 1.00 0.00 H new ATOM 1189 N VAL A 81 2.204 3.364 0.826 1.00 0.00 N ATOM 1190 CA VAL A 81 3.384 2.549 1.090 1.00 0.00 C ATOM 1191 C VAL A 81 4.534 3.401 1.617 1.00 0.00 C ATOM 1192 O VAL A 81 4.820 4.474 1.084 1.00 0.00 O ATOM 1193 CB VAL A 81 3.849 1.807 -0.177 1.00 0.00 C ATOM 1194 CG1 VAL A 81 5.085 0.971 0.118 1.00 0.00 C ATOM 1195 CG2 VAL A 81 2.727 0.939 -0.726 1.00 0.00 C ATOM 0 H VAL A 81 2.278 3.959 0.001 1.00 0.00 H new ATOM 0 HA VAL A 81 3.100 1.818 1.847 1.00 0.00 H new ATOM 0 HB VAL A 81 4.111 2.545 -0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.399 0.454 -0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.890 1.620 0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.853 0.239 0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.072 0.422 -1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.433 0.207 0.026 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.871 1.566 -0.976 1.00 0.00 H new ATOM 1205 N ARG A 82 5.190 2.917 2.666 1.00 0.00 N ATOM 1206 CA ARG A 82 6.308 3.634 3.266 1.00 0.00 C ATOM 1207 C ARG A 82 7.553 2.753 3.321 1.00 0.00 C ATOM 1208 O ARG A 82 7.485 1.550 3.068 1.00 0.00 O ATOM 1209 CB ARG A 82 5.942 4.108 4.673 1.00 0.00 C ATOM 1210 CG ARG A 82 5.699 2.972 5.654 1.00 0.00 C ATOM 1211 CD ARG A 82 5.945 3.413 7.088 1.00 0.00 C ATOM 1212 NE ARG A 82 4.738 3.948 7.712 1.00 0.00 N ATOM 1213 CZ ARG A 82 4.738 4.620 8.858 1.00 0.00 C ATOM 1214 NH1 ARG A 82 5.876 4.837 9.502 1.00 0.00 N ATOM 1215 NH2 ARG A 82 3.598 5.076 9.361 1.00 0.00 N ATOM 0 H ARG A 82 4.966 2.031 3.118 1.00 0.00 H new ATOM 0 HA ARG A 82 6.526 4.502 2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.743 4.741 5.054 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.046 4.727 4.617 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.674 2.615 5.553 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.354 2.135 5.412 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.309 2.566 7.670 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.728 4.171 7.105 1.00 0.00 H new ATOM 0 HE ARG A 82 3.845 3.797 7.242 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.754 4.488 9.118 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.874 5.353 10.382 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.721 4.911 8.868 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.599 5.592 10.241 1.00 0.00 H new ATOM 1229 N ALA A 83 8.687 3.359 3.655 1.00 0.00 N ATOM 1230 CA ALA A 83 9.945 2.630 3.745 1.00 0.00 C ATOM 1231 C ALA A 83 10.566 2.775 5.131 1.00 0.00 C ATOM 1232 O ALA A 83 10.294 3.741 5.845 1.00 0.00 O ATOM 1233 CB ALA A 83 10.915 3.115 2.678 1.00 0.00 C ATOM 0 H ALA A 83 8.760 4.354 3.868 1.00 0.00 H new ATOM 0 HA ALA A 83 9.736 1.574 3.577 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.850 2.561 2.758 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.481 2.954 1.691 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.110 4.178 2.819 1.00 0.00 H new ATOM 1239 N ARG A 84 11.399 1.810 5.505 1.00 0.00 N ATOM 1240 CA ARG A 84 12.057 1.830 6.806 1.00 0.00 C ATOM 1241 C ARG A 84 13.544 1.521 6.669 1.00 0.00 C ATOM 1242 O ARG A 84 13.926 0.503 6.092 1.00 0.00 O ATOM 1243 CB ARG A 84 11.400 0.820 7.749 1.00 0.00 C ATOM 1244 CG ARG A 84 11.874 0.932 9.188 1.00 0.00 C ATOM 1245 CD ARG A 84 13.094 0.060 9.443 1.00 0.00 C ATOM 1246 NE ARG A 84 13.615 0.229 10.796 1.00 0.00 N ATOM 1247 CZ ARG A 84 13.070 -0.334 11.869 1.00 0.00 C ATOM 1248 NH1 ARG A 84 11.994 -1.099 11.746 1.00 0.00 N ATOM 1249 NH2 ARG A 84 13.602 -0.133 13.068 1.00 0.00 N ATOM 0 H ARG A 84 11.634 1.004 4.926 1.00 0.00 H new ATOM 0 HA ARG A 84 11.949 2.831 7.224 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.319 0.958 7.720 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.602 -0.188 7.386 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.115 1.971 9.413 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.069 0.638 9.861 1.00 0.00 H new ATOM 0 HD2 ARG A 84 12.831 -0.986 9.284 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.873 0.307 8.721 1.00 0.00 H new ATOM 0 HE ARG A 84 14.443 0.811 10.925 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.583 -1.256 10.826 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.578 -1.530 12.571 1.00 0.00 H new ATOM 0 HH21 ARG A 84 14.430 0.454 13.167 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.183 -0.566 13.891 1.00 0.00 H new ATOM 1263 N SER A 85 14.380 2.406 7.203 1.00 0.00 N ATOM 1264 CA SER A 85 15.826 2.230 7.136 1.00 0.00 C ATOM 1265 C SER A 85 16.438 2.231 8.533 1.00 0.00 C ATOM 1266 O SER A 85 15.743 2.444 9.526 1.00 0.00 O ATOM 1267 CB SER A 85 16.457 3.337 6.289 1.00 0.00 C ATOM 1268 OG SER A 85 16.730 4.486 7.074 1.00 0.00 O ATOM 0 H SER A 85 14.080 3.252 7.687 1.00 0.00 H new ATOM 0 HA SER A 85 16.029 1.266 6.670 1.00 0.00 H new ATOM 0 HB2 SER A 85 17.380 2.973 5.838 1.00 0.00 H new ATOM 0 HB3 SER A 85 15.786 3.602 5.472 1.00 0.00 H new ATOM 0 HG SER A 85 17.134 5.179 6.511 1.00 0.00 H new ATOM 1274 N GLU A 86 17.744 1.990 8.600 1.00 0.00 N ATOM 1275 CA GLU A 86 18.450 1.962 9.875 1.00 0.00 C ATOM 1276 C GLU A 86 18.035 3.139 10.753 1.00 0.00 C ATOM 1277 O GLU A 86 17.818 2.985 11.955 1.00 0.00 O ATOM 1278 CB GLU A 86 19.963 1.991 9.647 1.00 0.00 C ATOM 1279 CG GLU A 86 20.469 0.850 8.780 1.00 0.00 C ATOM 1280 CD GLU A 86 21.952 0.594 8.961 1.00 0.00 C ATOM 1281 OE1 GLU A 86 22.420 0.612 10.119 1.00 0.00 O ATOM 1282 OE2 GLU A 86 22.646 0.374 7.946 1.00 0.00 O ATOM 0 H GLU A 86 18.333 1.812 7.787 1.00 0.00 H new ATOM 0 HA GLU A 86 18.185 1.037 10.387 1.00 0.00 H new ATOM 0 HB2 GLU A 86 20.234 2.938 9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 86 20.468 1.955 10.612 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.915 -0.058 9.021 1.00 0.00 H new ATOM 0 HG3 GLU A 86 20.268 1.077 7.733 1.00 0.00 H new ATOM 1289 N ALA A 87 17.928 4.315 10.144 1.00 0.00 N ATOM 1290 CA ALA A 87 17.538 5.518 10.869 1.00 0.00 C ATOM 1291 C ALA A 87 16.200 5.324 11.575 1.00 0.00 C ATOM 1292 O ALA A 87 16.116 5.411 12.800 1.00 0.00 O ATOM 1293 CB ALA A 87 17.468 6.706 9.921 1.00 0.00 C ATOM 0 H ALA A 87 18.106 4.460 9.150 1.00 0.00 H new ATOM 0 HA ALA A 87 18.295 5.716 11.628 1.00 0.00 H new ATOM 0 HB1 ALA A 87 17.176 7.598 10.476 1.00 0.00 H new ATOM 0 HB2 ALA A 87 18.445 6.866 9.466 1.00 0.00 H new ATOM 0 HB3 ALA A 87 16.733 6.507 9.141 1.00 0.00 H new ATOM 1299 N GLY A 88 15.156 5.061 10.795 1.00 0.00 N ATOM 1300 CA GLY A 88 13.837 4.860 11.364 1.00 0.00 C ATOM 1301 C GLY A 88 12.763 4.717 10.304 1.00 0.00 C ATOM 1302 O GLY A 88 12.987 4.094 9.265 1.00 0.00 O ATOM 0 H GLY A 88 15.201 4.984 9.779 1.00 0.00 H new ATOM 0 HA2 GLY A 88 13.847 3.967 11.989 1.00 0.00 H new ATOM 0 HA3 GLY A 88 13.593 5.701 12.013 1.00 0.00 H new ATOM 1306 N TYR A 89 11.595 5.292 10.565 1.00 0.00 N ATOM 1307 CA TYR A 89 10.482 5.222 9.627 1.00 0.00 C ATOM 1308 C TYR A 89 10.248 6.572 8.957 1.00 0.00 C ATOM 1309 O TYR A 89 10.352 7.620 9.593 1.00 0.00 O ATOM 1310 CB TYR A 89 9.209 4.769 10.345 1.00 0.00 C ATOM 1311 CG TYR A 89 9.020 3.269 10.355 1.00 0.00 C ATOM 1312 CD1 TYR A 89 8.369 2.624 9.311 1.00 0.00 C ATOM 1313 CD2 TYR A 89 9.494 2.496 11.408 1.00 0.00 C ATOM 1314 CE1 TYR A 89 8.194 1.254 9.316 1.00 0.00 C ATOM 1315 CE2 TYR A 89 9.324 1.125 11.421 1.00 0.00 C ATOM 1316 CZ TYR A 89 8.673 0.509 10.373 1.00 0.00 C ATOM 1317 OH TYR A 89 8.502 -0.856 10.382 1.00 0.00 O ATOM 0 H TYR A 89 11.394 5.812 11.419 1.00 0.00 H new ATOM 0 HA TYR A 89 10.735 4.494 8.857 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.234 5.130 11.373 1.00 0.00 H new ATOM 0 HB3 TYR A 89 8.347 5.232 9.865 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.993 3.204 8.481 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.004 2.975 12.230 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.685 0.769 8.496 1.00 0.00 H new ATOM 0 HE2 TYR A 89 9.699 0.539 12.247 1.00 0.00 H new ATOM 0 HH TYR A 89 9.033 -1.257 9.662 1.00 0.00 H new ATOM 1327 N GLY A 90 9.929 6.538 7.666 1.00 0.00 N ATOM 1328 CA GLY A 90 9.684 7.765 6.930 1.00 0.00 C ATOM 1329 C GLY A 90 8.213 7.982 6.638 1.00 0.00 C ATOM 1330 O GLY A 90 7.369 7.134 6.928 1.00 0.00 O ATOM 0 H GLY A 90 9.836 5.683 7.117 1.00 0.00 H new ATOM 0 HA2 GLY A 90 10.066 8.611 7.502 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.238 7.739 5.991 1.00 0.00 H new ATOM 1334 N PRO A 91 7.887 9.143 6.051 1.00 0.00 N ATOM 1335 CA PRO A 91 6.506 9.497 5.708 1.00 0.00 C ATOM 1336 C PRO A 91 5.959 8.652 4.562 1.00 0.00 C ATOM 1337 O PRO A 91 6.695 8.274 3.650 1.00 0.00 O ATOM 1338 CB PRO A 91 6.610 10.965 5.287 1.00 0.00 C ATOM 1339 CG PRO A 91 8.018 11.128 4.827 1.00 0.00 C ATOM 1340 CD PRO A 91 8.842 10.200 5.677 1.00 0.00 C ATOM 0 HA PRO A 91 5.823 9.325 6.540 1.00 0.00 H new ATOM 0 HB2 PRO A 91 5.904 11.200 4.491 1.00 0.00 H new ATOM 0 HB3 PRO A 91 6.385 11.632 6.119 1.00 0.00 H new ATOM 0 HG2 PRO A 91 8.115 10.878 3.770 1.00 0.00 H new ATOM 0 HG3 PRO A 91 8.349 12.160 4.942 1.00 0.00 H new ATOM 0 HD2 PRO A 91 9.691 9.797 5.125 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.243 10.708 6.554 1.00 0.00 H new ATOM 1348 N PHE A 92 4.664 8.358 4.616 1.00 0.00 N ATOM 1349 CA PHE A 92 4.019 7.557 3.582 1.00 0.00 C ATOM 1350 C PHE A 92 4.204 8.192 2.207 1.00 0.00 C ATOM 1351 O PHE A 92 4.234 9.414 2.075 1.00 0.00 O ATOM 1352 CB PHE A 92 2.528 7.399 3.887 1.00 0.00 C ATOM 1353 CG PHE A 92 2.225 6.270 4.831 1.00 0.00 C ATOM 1354 CD1 PHE A 92 2.390 4.953 4.432 1.00 0.00 C ATOM 1355 CD2 PHE A 92 1.775 6.526 6.116 1.00 0.00 C ATOM 1356 CE1 PHE A 92 2.113 3.912 5.299 1.00 0.00 C ATOM 1357 CE2 PHE A 92 1.497 5.489 6.986 1.00 0.00 C ATOM 1358 CZ PHE A 92 1.665 4.181 6.577 1.00 0.00 C ATOM 0 H PHE A 92 4.041 8.662 5.364 1.00 0.00 H new ATOM 0 HA PHE A 92 4.488 6.573 3.574 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.152 8.329 4.313 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.990 7.236 2.953 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.739 4.737 3.433 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.640 7.547 6.441 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.247 2.890 4.977 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.148 5.702 7.986 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.446 3.370 7.256 1.00 0.00 H new ATOM 1368 N GLY A 93 4.328 7.350 1.185 1.00 0.00 N ATOM 1369 CA GLY A 93 4.509 7.846 -0.166 1.00 0.00 C ATOM 1370 C GLY A 93 3.287 8.578 -0.684 1.00 0.00 C ATOM 1371 O GLY A 93 2.263 8.645 -0.005 1.00 0.00 O ATOM 0 H GLY A 93 4.306 6.334 1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 93 5.368 8.516 -0.191 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.737 7.011 -0.829 1.00 0.00 H new ATOM 1375 N GLN A 94 3.395 9.128 -1.890 1.00 0.00 N ATOM 1376 CA GLN A 94 2.290 9.860 -2.496 1.00 0.00 C ATOM 1377 C GLN A 94 1.030 9.002 -2.544 1.00 0.00 C ATOM 1378 O GLN A 94 0.989 7.981 -3.230 1.00 0.00 O ATOM 1379 CB GLN A 94 2.665 10.315 -3.908 1.00 0.00 C ATOM 1380 CG GLN A 94 1.765 11.411 -4.453 1.00 0.00 C ATOM 1381 CD GLN A 94 1.718 11.428 -5.968 1.00 0.00 C ATOM 1382 OE1 GLN A 94 2.418 12.209 -6.614 1.00 0.00 O ATOM 1383 NE2 GLN A 94 0.891 10.564 -6.545 1.00 0.00 N ATOM 0 H GLN A 94 4.236 9.080 -2.465 1.00 0.00 H new ATOM 0 HA GLN A 94 2.088 10.737 -1.881 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.695 10.671 -3.904 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.626 9.457 -4.579 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.756 11.275 -4.064 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.118 12.378 -4.093 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.329 9.935 -5.971 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.818 10.530 -7.562 1.00 0.00 H new ATOM 1392 N GLU A 95 0.004 9.425 -1.811 1.00 0.00 N ATOM 1393 CA GLU A 95 -1.257 8.694 -1.770 1.00 0.00 C ATOM 1394 C GLU A 95 -1.694 8.283 -3.173 1.00 0.00 C ATOM 1395 O GLU A 95 -1.653 9.084 -4.107 1.00 0.00 O ATOM 1396 CB GLU A 95 -2.345 9.546 -1.114 1.00 0.00 C ATOM 1397 CG GLU A 95 -2.665 10.819 -1.880 1.00 0.00 C ATOM 1398 CD GLU A 95 -3.702 11.676 -1.180 1.00 0.00 C ATOM 1399 OE1 GLU A 95 -3.537 11.939 0.030 1.00 0.00 O ATOM 1400 OE2 GLU A 95 -4.680 12.082 -1.842 1.00 0.00 O ATOM 0 H GLU A 95 0.022 10.269 -1.238 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.105 7.792 -1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.253 8.951 -1.019 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.030 9.809 -0.104 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.751 11.398 -2.014 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.026 10.559 -2.875 1.00 0.00 H new ATOM 1407 N HIS A 96 -2.112 7.029 -3.313 1.00 0.00 N ATOM 1408 CA HIS A 96 -2.557 6.510 -4.602 1.00 0.00 C ATOM 1409 C HIS A 96 -4.020 6.084 -4.540 1.00 0.00 C ATOM 1410 O HIS A 96 -4.537 5.757 -3.471 1.00 0.00 O ATOM 1411 CB HIS A 96 -1.686 5.328 -5.027 1.00 0.00 C ATOM 1412 CG HIS A 96 -2.090 4.728 -6.339 1.00 0.00 C ATOM 1413 ND1 HIS A 96 -2.256 5.473 -7.488 1.00 0.00 N ATOM 1414 CD2 HIS A 96 -2.361 3.447 -6.681 1.00 0.00 C ATOM 1415 CE1 HIS A 96 -2.613 4.675 -8.479 1.00 0.00 C ATOM 1416 NE2 HIS A 96 -2.683 3.441 -8.016 1.00 0.00 N ATOM 0 H HIS A 96 -2.152 6.353 -2.550 1.00 0.00 H new ATOM 0 HA HIS A 96 -2.460 7.306 -5.340 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.649 5.656 -5.091 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.730 4.559 -4.256 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -2.330 2.589 -6.026 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -2.813 4.981 -9.495 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -2.935 2.617 -8.561 1.00 0.00 H new ATOM 1425 N HIS A 97 -4.683 6.091 -5.692 1.00 0.00 N ATOM 1426 CA HIS A 97 -6.087 5.705 -5.769 1.00 0.00 C ATOM 1427 C HIS A 97 -6.279 4.542 -6.737 1.00 0.00 C ATOM 1428 O HIS A 97 -6.304 4.732 -7.953 1.00 0.00 O ATOM 1429 CB HIS A 97 -6.942 6.895 -6.207 1.00 0.00 C ATOM 1430 CG HIS A 97 -6.623 8.163 -5.476 1.00 0.00 C ATOM 1431 ND1 HIS A 97 -6.785 9.414 -6.034 1.00 0.00 N ATOM 1432 CD2 HIS A 97 -6.150 8.369 -4.225 1.00 0.00 C ATOM 1433 CE1 HIS A 97 -6.424 10.334 -5.157 1.00 0.00 C ATOM 1434 NE2 HIS A 97 -6.035 9.726 -4.051 1.00 0.00 N ATOM 0 H HIS A 97 -4.270 6.360 -6.585 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.405 5.385 -4.777 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -6.804 7.057 -7.276 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.994 6.652 -6.054 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -5.908 7.607 -3.498 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -6.444 11.402 -5.317 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.703 10.189 -3.205 1.00 0.00 H new ATOM 1443 N SER A 98 -6.413 3.338 -6.190 1.00 0.00 N ATOM 1444 CA SER A 98 -6.598 2.144 -7.005 1.00 0.00 C ATOM 1445 C SER A 98 -8.037 2.042 -7.501 1.00 0.00 C ATOM 1446 O SER A 98 -8.983 2.214 -6.733 1.00 0.00 O ATOM 1447 CB SER A 98 -6.233 0.892 -6.204 1.00 0.00 C ATOM 1448 OG SER A 98 -6.733 -0.277 -6.829 1.00 0.00 O ATOM 0 H SER A 98 -6.397 3.164 -5.185 1.00 0.00 H new ATOM 0 HA SER A 98 -5.938 2.219 -7.870 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.150 0.821 -6.107 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.639 0.971 -5.195 1.00 0.00 H new ATOM 0 HG SER A 98 -6.064 -0.625 -7.455 1.00 0.00 H new