USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 918 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 81 MET CE :methyl 164:sc= -0.0478 (180deg=-0.344) USER MOD Set 1.2: A 82 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 35 ASN : amide:sc= -3.15 K(o=-3.4,f=-13!) USER MOD Set 2.2: A 37 ASN :FLIP amide:sc= -0.233 F(o=-6!,f=-3.4) USER MOD Single : A 13 SER OG : rot 180:sc= 0.502! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -180:sc= -3.29! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 15:sc= -3.09! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -108:sc= -0.0487 (180deg=-1.95!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -143:sc= -2.71! USER MOD Single : A 57 MET CE :methyl -168:sc= -0.0215 (180deg=-0.234) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.856 F(o=-1.5!,f=-0.86) USER MOD Single : A 73 HIS : no HE2:sc= -26! C(o=-26!,f=-26!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS :FLIP no HD1:sc= -3.1! C(o=-7.2!,f=-3.1!) USER MOD Single : A 85 SER OG : rot 48:sc= -1.15! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 41:sc= 0.0212 USER MOD Single : A 95 GLN :FLIP amide:sc= -0.92 F(o=-1.8!,f=-0.92) USER MOD Single : A 96 GLN : amide:sc= -3.2 K(o=-3.2,f=-15!) USER MOD Single : A 101 TYR OH : rot -140:sc= -2.19 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 3 11.873 -12.592 -0.121 1.00 0.00 N ATOM 38 CA ARG A 3 12.961 -11.626 -0.236 1.00 0.00 C ATOM 39 C ARG A 3 12.508 -10.236 0.194 1.00 0.00 C ATOM 40 O ARG A 3 13.324 -9.329 0.355 1.00 0.00 O ATOM 41 CB ARG A 3 13.474 -11.574 -1.674 1.00 0.00 C ATOM 42 CG ARG A 3 12.367 -11.491 -2.714 1.00 0.00 C ATOM 43 CD ARG A 3 12.334 -12.736 -3.582 1.00 0.00 C ATOM 44 NE ARG A 3 11.207 -12.733 -4.512 1.00 0.00 N ATOM 45 CZ ARG A 3 11.270 -13.208 -5.754 1.00 0.00 C ATOM 46 NH1 ARG A 3 12.397 -13.732 -6.220 1.00 0.00 N ATOM 47 NH2 ARG A 3 10.196 -13.163 -6.533 1.00 0.00 N ATOM 0 HA ARG A 3 13.765 -11.950 0.424 1.00 0.00 H new ATOM 0 HB2 ARG A 3 14.131 -10.711 -1.785 1.00 0.00 H new ATOM 0 HB3 ARG A 3 14.077 -12.461 -1.868 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.405 -11.366 -2.216 1.00 0.00 H new ATOM 0 HG3 ARG A 3 12.518 -10.612 -3.340 1.00 0.00 H new ATOM 0 HD2 ARG A 3 13.265 -12.810 -4.143 1.00 0.00 H new ATOM 0 HD3 ARG A 3 12.275 -13.619 -2.945 1.00 0.00 H new ATOM 0 HE ARG A 3 10.320 -12.344 -4.191 1.00 0.00 H new ATOM 0 HH11 ARG A 3 13.224 -13.773 -5.625 1.00 0.00 H new ATOM 0 HH12 ARG A 3 12.436 -14.093 -7.173 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.326 -12.765 -6.179 1.00 0.00 H new ATOM 0 HH22 ARG A 3 10.241 -13.526 -7.485 1.00 0.00 H new ATOM 61 N GLY A 4 11.201 -10.068 0.361 1.00 0.00 N ATOM 62 CA GLY A 4 10.673 -8.782 0.752 1.00 0.00 C ATOM 63 C GLY A 4 10.383 -7.925 -0.455 1.00 0.00 C ATOM 64 O GLY A 4 11.286 -7.303 -1.016 1.00 0.00 O ATOM 0 H GLY A 4 10.502 -10.800 0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.760 -8.921 1.331 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.387 -8.274 1.400 1.00 0.00 H new ATOM 68 N ILE A 5 9.128 -7.908 -0.874 1.00 0.00 N ATOM 69 CA ILE A 5 8.735 -7.136 -2.038 1.00 0.00 C ATOM 70 C ILE A 5 7.658 -6.120 -1.691 1.00 0.00 C ATOM 71 O ILE A 5 6.524 -6.487 -1.382 1.00 0.00 O ATOM 72 CB ILE A 5 8.208 -8.046 -3.161 1.00 0.00 C ATOM 73 CG1 ILE A 5 9.063 -9.313 -3.283 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.174 -7.287 -4.480 1.00 0.00 C ATOM 75 CD1 ILE A 5 10.554 -9.049 -3.252 1.00 0.00 C ATOM 0 H ILE A 5 8.367 -8.419 -0.426 1.00 0.00 H new ATOM 0 HA ILE A 5 9.628 -6.614 -2.382 1.00 0.00 H new ATOM 0 HB ILE A 5 7.192 -8.351 -2.911 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.807 -9.993 -2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.813 -9.821 -4.214 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.799 -7.942 -5.267 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.518 -6.422 -4.385 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.180 -6.954 -4.734 1.00 0.00 H new ATOM 0 HD11 ILE A 5 11.092 -9.992 -3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 5 10.825 -8.395 -4.081 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.819 -8.569 -2.310 1.00 0.00 H new ATOM 87 N VAL A 6 8.010 -4.845 -1.758 1.00 0.00 N ATOM 88 CA VAL A 6 7.058 -3.787 -1.467 1.00 0.00 C ATOM 89 C VAL A 6 6.609 -3.104 -2.746 1.00 0.00 C ATOM 90 O VAL A 6 7.425 -2.650 -3.547 1.00 0.00 O ATOM 91 CB VAL A 6 7.641 -2.725 -0.519 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.851 -2.057 -1.144 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.580 -1.694 -0.173 1.00 0.00 C ATOM 0 H VAL A 6 8.943 -4.520 -2.010 1.00 0.00 H new ATOM 0 HA VAL A 6 6.208 -4.261 -0.976 1.00 0.00 H new ATOM 0 HB VAL A 6 7.962 -3.217 0.399 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.249 -1.309 -0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.616 -2.806 -1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.559 -1.575 -2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.004 -0.947 0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.234 -1.207 -1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.740 -2.187 0.316 1.00 0.00 H new ATOM 103 N TRP A 7 5.304 -3.029 -2.933 1.00 0.00 N ATOM 104 CA TRP A 7 4.748 -2.396 -4.112 1.00 0.00 C ATOM 105 C TRP A 7 3.979 -1.149 -3.714 1.00 0.00 C ATOM 106 O TRP A 7 3.111 -1.190 -2.841 1.00 0.00 O ATOM 107 CB TRP A 7 3.865 -3.384 -4.874 1.00 0.00 C ATOM 108 CG TRP A 7 4.669 -4.377 -5.664 1.00 0.00 C ATOM 109 CD1 TRP A 7 6.006 -4.623 -5.545 1.00 0.00 C ATOM 110 CD2 TRP A 7 4.192 -5.255 -6.688 1.00 0.00 C ATOM 111 NE1 TRP A 7 6.393 -5.588 -6.437 1.00 0.00 N ATOM 112 CE2 TRP A 7 5.297 -5.996 -7.148 1.00 0.00 C ATOM 113 CE3 TRP A 7 2.941 -5.486 -7.262 1.00 0.00 C ATOM 114 CZ2 TRP A 7 5.188 -6.951 -8.154 1.00 0.00 C ATOM 115 CZ3 TRP A 7 2.832 -6.436 -8.260 1.00 0.00 C ATOM 116 CH2 TRP A 7 3.951 -7.157 -8.697 1.00 0.00 C ATOM 0 H TRP A 7 4.610 -3.399 -2.283 1.00 0.00 H new ATOM 0 HA TRP A 7 5.556 -2.094 -4.778 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.227 -3.916 -4.169 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.207 -2.835 -5.548 1.00 0.00 H new ATOM 0 HD1 TRP A 7 6.665 -4.128 -4.847 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.342 -5.944 -6.552 1.00 0.00 H new ATOM 0 HE3 TRP A 7 2.074 -4.933 -6.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 6.049 -7.509 -8.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.869 -6.626 -8.710 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.833 -7.892 -9.480 1.00 0.00 H new ATOM 127 N VAL A 8 4.338 -0.031 -4.326 1.00 0.00 N ATOM 128 CA VAL A 8 3.714 1.245 -4.008 1.00 0.00 C ATOM 129 C VAL A 8 2.946 1.808 -5.197 1.00 0.00 C ATOM 130 O VAL A 8 3.429 1.794 -6.323 1.00 0.00 O ATOM 131 CB VAL A 8 4.767 2.284 -3.561 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.199 3.173 -2.466 1.00 0.00 C ATOM 133 CG2 VAL A 8 6.059 1.604 -3.099 1.00 0.00 C ATOM 0 H VAL A 8 5.059 0.019 -5.046 1.00 0.00 H new ATOM 0 HA VAL A 8 3.017 1.055 -3.192 1.00 0.00 H new ATOM 0 HB VAL A 8 5.015 2.908 -4.420 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.952 3.900 -2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.320 3.697 -2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.918 2.560 -1.609 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.779 2.362 -2.791 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.843 0.946 -2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.476 1.019 -3.919 1.00 0.00 H new ATOM 143 N VAL A 9 1.751 2.322 -4.939 1.00 0.00 N ATOM 144 CA VAL A 9 0.942 2.905 -6.000 1.00 0.00 C ATOM 145 C VAL A 9 0.747 4.402 -5.771 1.00 0.00 C ATOM 146 O VAL A 9 0.066 4.821 -4.835 1.00 0.00 O ATOM 147 CB VAL A 9 -0.428 2.212 -6.139 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.264 0.790 -6.657 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.182 2.218 -4.823 1.00 0.00 C ATOM 0 H VAL A 9 1.324 2.347 -4.013 1.00 0.00 H new ATOM 0 HA VAL A 9 1.486 2.751 -6.932 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.014 2.776 -6.864 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.244 0.320 -6.747 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.219 0.812 -7.634 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.350 0.218 -5.961 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.144 1.722 -4.953 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.600 1.689 -4.068 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.344 3.247 -4.501 1.00 0.00 H new ATOM 159 N ASP A 10 1.370 5.202 -6.629 1.00 0.00 N ATOM 160 CA ASP A 10 1.296 6.656 -6.532 1.00 0.00 C ATOM 161 C ASP A 10 1.715 7.299 -7.852 1.00 0.00 C ATOM 162 O ASP A 10 1.670 6.665 -8.904 1.00 0.00 O ATOM 163 CB ASP A 10 2.189 7.148 -5.393 1.00 0.00 C ATOM 164 CG ASP A 10 1.610 8.355 -4.675 1.00 0.00 C ATOM 165 OD1 ASP A 10 0.979 9.198 -5.346 1.00 0.00 O ATOM 166 OD2 ASP A 10 1.793 8.458 -3.443 1.00 0.00 O ATOM 0 H ASP A 10 1.937 4.864 -7.407 1.00 0.00 H new ATOM 0 HA ASP A 10 0.266 6.943 -6.321 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.336 6.340 -4.677 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.171 7.403 -5.791 1.00 0.00 H new ATOM 171 N ASP A 11 2.116 8.563 -7.792 1.00 0.00 N ATOM 172 CA ASP A 11 2.534 9.293 -8.984 1.00 0.00 C ATOM 173 C ASP A 11 3.842 8.749 -9.570 1.00 0.00 C ATOM 174 O ASP A 11 4.322 9.251 -10.586 1.00 0.00 O ATOM 175 CB ASP A 11 2.682 10.781 -8.661 1.00 0.00 C ATOM 176 CG ASP A 11 1.451 11.346 -7.978 1.00 0.00 C ATOM 177 OD1 ASP A 11 0.414 11.501 -8.657 1.00 0.00 O ATOM 178 OD2 ASP A 11 1.525 11.635 -6.765 1.00 0.00 O ATOM 0 H ASP A 11 2.161 9.105 -6.929 1.00 0.00 H new ATOM 0 HA ASP A 11 1.759 9.156 -9.738 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.550 10.927 -8.019 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.870 11.334 -9.582 1.00 0.00 H new ATOM 183 N ASP A 12 4.416 7.721 -8.943 1.00 0.00 N ATOM 184 CA ASP A 12 5.660 7.130 -9.435 1.00 0.00 C ATOM 185 C ASP A 12 6.835 8.097 -9.259 1.00 0.00 C ATOM 186 O ASP A 12 6.800 8.968 -8.390 1.00 0.00 O ATOM 187 CB ASP A 12 5.500 6.738 -10.910 1.00 0.00 C ATOM 188 CG ASP A 12 6.213 5.443 -11.251 1.00 0.00 C ATOM 189 OD1 ASP A 12 7.418 5.496 -11.573 1.00 0.00 O ATOM 190 OD2 ASP A 12 5.564 4.377 -11.195 1.00 0.00 O ATOM 0 H ASP A 12 4.043 7.284 -8.100 1.00 0.00 H new ATOM 0 HA ASP A 12 5.875 6.236 -8.850 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.440 6.637 -11.142 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.889 7.539 -11.539 1.00 0.00 H new ATOM 195 N SER A 13 7.865 7.948 -10.100 1.00 0.00 N ATOM 196 CA SER A 13 9.043 8.804 -10.063 1.00 0.00 C ATOM 197 C SER A 13 9.394 9.277 -8.647 1.00 0.00 C ATOM 198 O SER A 13 10.069 8.570 -7.900 1.00 0.00 O ATOM 199 CB SER A 13 8.814 9.977 -11.005 1.00 0.00 C ATOM 200 OG SER A 13 7.839 10.869 -10.496 1.00 0.00 O ATOM 0 H SER A 13 7.900 7.229 -10.823 1.00 0.00 H new ATOM 0 HA SER A 13 9.905 8.224 -10.392 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.752 10.511 -11.158 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.496 9.606 -11.979 1.00 0.00 H new ATOM 0 HG SER A 13 7.716 11.612 -11.123 1.00 0.00 H new ATOM 206 N SER A 14 8.949 10.476 -8.291 1.00 0.00 N ATOM 207 CA SER A 14 9.232 11.045 -6.975 1.00 0.00 C ATOM 208 C SER A 14 8.833 10.090 -5.852 1.00 0.00 C ATOM 209 O SER A 14 9.662 9.715 -5.024 1.00 0.00 O ATOM 210 CB SER A 14 8.496 12.375 -6.805 1.00 0.00 C ATOM 211 OG SER A 14 9.094 13.164 -5.790 1.00 0.00 O ATOM 0 H SER A 14 8.389 11.076 -8.896 1.00 0.00 H new ATOM 0 HA SER A 14 10.307 11.212 -6.913 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.505 12.922 -7.748 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.452 12.187 -6.556 1.00 0.00 H new ATOM 0 HG SER A 14 8.606 14.009 -5.703 1.00 0.00 H new ATOM 217 N ILE A 15 7.563 9.695 -5.828 1.00 0.00 N ATOM 218 CA ILE A 15 7.072 8.783 -4.802 1.00 0.00 C ATOM 219 C ILE A 15 7.797 7.445 -4.866 1.00 0.00 C ATOM 220 O ILE A 15 7.906 6.738 -3.865 1.00 0.00 O ATOM 221 CB ILE A 15 5.554 8.541 -4.931 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.803 9.870 -5.043 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.042 7.744 -3.740 1.00 0.00 C ATOM 224 CD1 ILE A 15 4.955 10.756 -3.826 1.00 0.00 C ATOM 0 H ILE A 15 6.859 9.991 -6.504 1.00 0.00 H new ATOM 0 HA ILE A 15 7.270 9.258 -3.841 1.00 0.00 H new ATOM 0 HB ILE A 15 5.374 7.966 -5.840 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.162 10.408 -5.921 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.744 9.667 -5.204 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.969 7.581 -3.845 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.553 6.782 -3.699 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.237 8.297 -2.821 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.396 11.680 -3.976 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.569 10.238 -2.948 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.009 10.990 -3.676 1.00 0.00 H new ATOM 236 N ARG A 16 8.294 7.107 -6.048 1.00 0.00 N ATOM 237 CA ARG A 16 9.014 5.855 -6.244 1.00 0.00 C ATOM 238 C ARG A 16 10.430 5.955 -5.689 1.00 0.00 C ATOM 239 O ARG A 16 10.914 5.037 -5.028 1.00 0.00 O ATOM 240 CB ARG A 16 9.069 5.494 -7.733 1.00 0.00 C ATOM 241 CG ARG A 16 9.889 4.245 -8.028 1.00 0.00 C ATOM 242 CD ARG A 16 9.918 3.922 -9.513 1.00 0.00 C ATOM 243 NE ARG A 16 10.998 2.995 -9.845 1.00 0.00 N ATOM 244 CZ ARG A 16 11.511 2.859 -11.066 1.00 0.00 C ATOM 245 NH1 ARG A 16 11.057 3.596 -12.071 1.00 0.00 N ATOM 246 NH2 ARG A 16 12.487 1.987 -11.278 1.00 0.00 N ATOM 0 H ARG A 16 8.212 7.682 -6.886 1.00 0.00 H new ATOM 0 HA ARG A 16 8.479 5.072 -5.707 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.053 5.347 -8.100 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.489 6.334 -8.286 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.908 4.386 -7.668 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.472 3.400 -7.481 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.963 3.489 -9.810 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.041 4.843 -10.083 1.00 0.00 H new ATOM 0 HE ARG A 16 11.382 2.418 -9.097 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.310 4.272 -11.911 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.455 3.487 -13.004 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.843 1.422 -10.507 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.882 1.881 -12.212 1.00 0.00 H new ATOM 260 N TRP A 17 11.090 7.070 -5.976 1.00 0.00 N ATOM 261 CA TRP A 17 12.456 7.285 -5.520 1.00 0.00 C ATOM 262 C TRP A 17 12.546 7.355 -3.995 1.00 0.00 C ATOM 263 O TRP A 17 13.490 6.835 -3.401 1.00 0.00 O ATOM 264 CB TRP A 17 13.032 8.561 -6.136 1.00 0.00 C ATOM 265 CG TRP A 17 14.459 8.801 -5.750 1.00 0.00 C ATOM 266 CD1 TRP A 17 15.558 8.158 -6.239 1.00 0.00 C ATOM 267 CD2 TRP A 17 14.942 9.741 -4.781 1.00 0.00 C ATOM 268 NE1 TRP A 17 16.695 8.638 -5.636 1.00 0.00 N ATOM 269 CE2 TRP A 17 16.343 9.613 -4.739 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.325 10.679 -3.949 1.00 0.00 C ATOM 271 CZ2 TRP A 17 17.136 10.389 -3.895 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.112 11.449 -3.113 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.505 11.300 -3.092 1.00 0.00 C ATOM 0 H TRP A 17 10.701 7.839 -6.522 1.00 0.00 H new ATOM 0 HA TRP A 17 13.044 6.428 -5.849 1.00 0.00 H new ATOM 0 HB2 TRP A 17 12.960 8.499 -7.222 1.00 0.00 H new ATOM 0 HB3 TRP A 17 12.428 9.413 -5.825 1.00 0.00 H new ATOM 0 HD1 TRP A 17 15.537 7.384 -6.991 1.00 0.00 H new ATOM 0 HE1 TRP A 17 17.646 8.321 -5.825 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.252 10.800 -3.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 18.210 10.275 -3.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 14.646 12.177 -2.466 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.093 11.917 -2.428 1.00 0.00 H new ATOM 284 N VAL A 18 11.580 8.016 -3.364 1.00 0.00 N ATOM 285 CA VAL A 18 11.584 8.160 -1.911 1.00 0.00 C ATOM 286 C VAL A 18 11.291 6.847 -1.203 1.00 0.00 C ATOM 287 O VAL A 18 11.856 6.559 -0.149 1.00 0.00 O ATOM 288 CB VAL A 18 10.565 9.214 -1.435 1.00 0.00 C ATOM 289 CG1 VAL A 18 10.869 9.637 -0.004 1.00 0.00 C ATOM 290 CG2 VAL A 18 10.560 10.416 -2.366 1.00 0.00 C ATOM 0 H VAL A 18 10.789 8.458 -3.832 1.00 0.00 H new ATOM 0 HA VAL A 18 12.591 8.487 -1.652 1.00 0.00 H new ATOM 0 HB VAL A 18 9.571 8.768 -1.456 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.141 10.382 0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.814 8.768 0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.871 10.065 0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.834 11.148 -2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.552 10.868 -2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.291 10.096 -3.372 1.00 0.00 H new ATOM 300 N LEU A 19 10.397 6.064 -1.774 1.00 0.00 N ATOM 301 CA LEU A 19 10.017 4.790 -1.185 1.00 0.00 C ATOM 302 C LEU A 19 10.978 3.676 -1.570 1.00 0.00 C ATOM 303 O LEU A 19 11.157 2.713 -0.824 1.00 0.00 O ATOM 304 CB LEU A 19 8.595 4.411 -1.603 1.00 0.00 C ATOM 305 CG LEU A 19 7.744 3.761 -0.509 1.00 0.00 C ATOM 306 CD1 LEU A 19 8.355 2.442 -0.058 1.00 0.00 C ATOM 307 CD2 LEU A 19 7.586 4.706 0.673 1.00 0.00 C ATOM 0 H LEU A 19 9.918 6.286 -2.647 1.00 0.00 H new ATOM 0 HA LEU A 19 10.059 4.911 -0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.085 5.309 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.653 3.727 -2.450 1.00 0.00 H new ATOM 0 HG LEU A 19 6.757 3.554 -0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.732 2.000 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.415 1.760 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.355 2.620 0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.978 4.229 1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.568 4.944 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.098 5.623 0.343 1.00 0.00 H new ATOM 319 N GLU A 20 11.582 3.792 -2.740 1.00 0.00 N ATOM 320 CA GLU A 20 12.499 2.765 -3.203 1.00 0.00 C ATOM 321 C GLU A 20 13.765 2.709 -2.356 1.00 0.00 C ATOM 322 O GLU A 20 14.072 1.686 -1.746 1.00 0.00 O ATOM 323 CB GLU A 20 12.838 2.947 -4.690 1.00 0.00 C ATOM 324 CG GLU A 20 13.709 4.144 -5.021 1.00 0.00 C ATOM 325 CD GLU A 20 13.889 4.325 -6.517 1.00 0.00 C ATOM 326 OE1 GLU A 20 13.058 3.794 -7.284 1.00 0.00 O ATOM 327 OE2 GLU A 20 14.864 4.992 -6.921 1.00 0.00 O ATOM 0 H GLU A 20 11.457 4.576 -3.380 1.00 0.00 H new ATOM 0 HA GLU A 20 11.989 1.808 -3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.340 2.046 -5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.906 3.032 -5.249 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.262 5.044 -4.599 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.685 4.022 -4.551 1.00 0.00 H new ATOM 334 N ARG A 21 14.494 3.807 -2.326 1.00 0.00 N ATOM 335 CA ARG A 21 15.735 3.883 -1.560 1.00 0.00 C ATOM 336 C ARG A 21 15.512 3.587 -0.078 1.00 0.00 C ATOM 337 O ARG A 21 16.172 2.719 0.492 1.00 0.00 O ATOM 338 CB ARG A 21 16.371 5.258 -1.738 1.00 0.00 C ATOM 339 CG ARG A 21 16.838 5.517 -3.159 1.00 0.00 C ATOM 340 CD ARG A 21 18.354 5.538 -3.255 1.00 0.00 C ATOM 341 NE ARG A 21 18.819 6.269 -4.433 1.00 0.00 N ATOM 342 CZ ARG A 21 19.521 7.401 -4.382 1.00 0.00 C ATOM 343 NH1 ARG A 21 19.848 7.940 -3.214 1.00 0.00 N ATOM 344 NH2 ARG A 21 19.901 7.994 -5.505 1.00 0.00 N ATOM 0 H ARG A 21 14.252 4.664 -2.823 1.00 0.00 H new ATOM 0 HA ARG A 21 16.410 3.118 -1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.651 6.025 -1.453 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.220 5.350 -1.060 1.00 0.00 H new ATOM 0 HG2 ARG A 21 16.442 4.745 -3.819 1.00 0.00 H new ATOM 0 HG3 ARG A 21 16.438 6.470 -3.506 1.00 0.00 H new ATOM 0 HD2 ARG A 21 18.768 5.997 -2.357 1.00 0.00 H new ATOM 0 HD3 ARG A 21 18.729 4.515 -3.292 1.00 0.00 H new ATOM 0 HE ARG A 21 18.592 5.889 -5.352 1.00 0.00 H new ATOM 0 HH11 ARG A 21 19.562 7.488 -2.346 1.00 0.00 H new ATOM 0 HH12 ARG A 21 20.385 8.806 -3.185 1.00 0.00 H new ATOM 0 HH21 ARG A 21 19.656 7.584 -6.406 1.00 0.00 H new ATOM 0 HH22 ARG A 21 20.438 8.860 -5.468 1.00 0.00 H new ATOM 358 N ALA A 22 14.588 4.311 0.546 1.00 0.00 N ATOM 359 CA ALA A 22 14.303 4.114 1.966 1.00 0.00 C ATOM 360 C ALA A 22 13.967 2.665 2.266 1.00 0.00 C ATOM 361 O ALA A 22 14.579 2.036 3.128 1.00 0.00 O ATOM 362 CB ALA A 22 13.172 5.030 2.414 1.00 0.00 C ATOM 0 H ALA A 22 14.027 5.034 0.096 1.00 0.00 H new ATOM 0 HA ALA A 22 15.202 4.370 2.527 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.973 4.870 3.474 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.459 6.069 2.251 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.274 4.807 1.838 1.00 0.00 H new ATOM 368 N LEU A 23 12.999 2.143 1.544 1.00 0.00 N ATOM 369 CA LEU A 23 12.577 0.762 1.715 1.00 0.00 C ATOM 370 C LEU A 23 13.689 -0.191 1.292 1.00 0.00 C ATOM 371 O LEU A 23 13.812 -1.313 1.804 1.00 0.00 O ATOM 372 CB LEU A 23 11.312 0.498 0.904 1.00 0.00 C ATOM 373 CG LEU A 23 10.563 -0.782 1.262 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.190 -1.968 0.558 1.00 0.00 C ATOM 375 CD2 LEU A 23 10.535 -1.000 2.769 1.00 0.00 C ATOM 0 H LEU A 23 12.484 2.655 0.828 1.00 0.00 H new ATOM 0 HA LEU A 23 12.360 0.590 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 23 10.635 1.343 1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.579 0.460 -0.152 1.00 0.00 H new ATOM 0 HG LEU A 23 9.532 -0.681 0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.647 -2.876 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.144 -1.817 -0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.231 -2.065 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.995 -1.920 2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.555 -1.078 3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.035 -0.159 3.249 1.00 0.00 H new ATOM 387 N ALA A 24 14.518 0.272 0.369 1.00 0.00 N ATOM 388 CA ALA A 24 15.632 -0.523 -0.093 1.00 0.00 C ATOM 389 C ALA A 24 16.626 -0.686 1.043 1.00 0.00 C ATOM 390 O ALA A 24 17.246 -1.738 1.197 1.00 0.00 O ATOM 391 CB ALA A 24 16.288 0.119 -1.306 1.00 0.00 C ATOM 0 H ALA A 24 14.437 1.189 -0.069 1.00 0.00 H new ATOM 0 HA ALA A 24 15.274 -1.506 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.124 -0.497 -1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.559 0.203 -2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.652 1.112 -1.040 1.00 0.00 H new ATOM 397 N GLY A 25 16.743 0.357 1.866 1.00 0.00 N ATOM 398 CA GLY A 25 17.630 0.291 3.005 1.00 0.00 C ATOM 399 C GLY A 25 17.222 -0.824 3.945 1.00 0.00 C ATOM 400 O GLY A 25 18.053 -1.381 4.660 1.00 0.00 O ATOM 0 H GLY A 25 16.240 1.238 1.760 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.653 0.129 2.665 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.617 1.243 3.536 1.00 0.00 H new ATOM 404 N ALA A 26 15.931 -1.159 3.926 1.00 0.00 N ATOM 405 CA ALA A 26 15.410 -2.224 4.763 1.00 0.00 C ATOM 406 C ALA A 26 15.757 -3.592 4.179 1.00 0.00 C ATOM 407 O ALA A 26 15.699 -4.604 4.874 1.00 0.00 O ATOM 408 CB ALA A 26 13.903 -2.091 4.923 1.00 0.00 C ATOM 0 H ALA A 26 15.233 -0.704 3.338 1.00 0.00 H new ATOM 0 HA ALA A 26 15.875 -2.138 5.745 1.00 0.00 H new ATOM 0 HB1 ALA A 26 13.531 -2.899 5.554 1.00 0.00 H new ATOM 0 HB2 ALA A 26 13.669 -1.132 5.386 1.00 0.00 H new ATOM 0 HB3 ALA A 26 13.427 -2.147 3.944 1.00 0.00 H new ATOM 414 N GLY A 27 16.146 -3.608 2.905 1.00 0.00 N ATOM 415 CA GLY A 27 16.527 -4.852 2.263 1.00 0.00 C ATOM 416 C GLY A 27 15.422 -5.493 1.438 1.00 0.00 C ATOM 417 O GLY A 27 15.449 -6.705 1.217 1.00 0.00 O ATOM 0 H GLY A 27 16.203 -2.782 2.309 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.386 -4.666 1.618 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.850 -5.558 3.028 1.00 0.00 H new ATOM 421 N LEU A 28 14.446 -4.708 0.976 1.00 0.00 N ATOM 422 CA LEU A 28 13.359 -5.271 0.183 1.00 0.00 C ATOM 423 C LEU A 28 13.229 -4.585 -1.175 1.00 0.00 C ATOM 424 O LEU A 28 13.815 -3.529 -1.409 1.00 0.00 O ATOM 425 CB LEU A 28 12.042 -5.190 0.950 1.00 0.00 C ATOM 426 CG LEU A 28 12.185 -5.202 2.468 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.300 -3.786 2.994 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.014 -5.926 3.113 1.00 0.00 C ATOM 0 H LEU A 28 14.388 -3.702 1.134 1.00 0.00 H new ATOM 0 HA LEU A 28 13.598 -6.318 -0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.521 -4.279 0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.412 -6.028 0.652 1.00 0.00 H new ATOM 0 HG LEU A 28 13.096 -5.741 2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.402 -3.808 4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.176 -3.306 2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.406 -3.224 2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.136 -5.923 4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.085 -5.420 2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.980 -6.955 2.755 1.00 0.00 H new ATOM 440 N THR A 29 12.457 -5.204 -2.070 1.00 0.00 N ATOM 441 CA THR A 29 12.245 -4.664 -3.415 1.00 0.00 C ATOM 442 C THR A 29 11.121 -3.641 -3.421 1.00 0.00 C ATOM 443 O THR A 29 10.093 -3.833 -2.779 1.00 0.00 O ATOM 444 CB THR A 29 11.913 -5.779 -4.406 1.00 0.00 C ATOM 445 OG1 THR A 29 12.973 -6.716 -4.491 1.00 0.00 O ATOM 446 CG2 THR A 29 11.633 -5.264 -5.804 1.00 0.00 C ATOM 0 H THR A 29 11.968 -6.080 -1.888 1.00 0.00 H new ATOM 0 HA THR A 29 13.172 -4.178 -3.719 1.00 0.00 H new ATOM 0 HB THR A 29 11.010 -6.251 -4.020 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.736 -7.421 -5.130 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.404 -6.103 -6.462 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.784 -4.581 -5.777 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.510 -4.737 -6.180 1.00 0.00 H new ATOM 454 N CYS A 30 11.322 -2.552 -4.151 1.00 0.00 N ATOM 455 CA CYS A 30 10.324 -1.492 -4.231 1.00 0.00 C ATOM 456 C CYS A 30 9.974 -1.155 -5.677 1.00 0.00 C ATOM 457 O CYS A 30 10.811 -0.667 -6.436 1.00 0.00 O ATOM 458 CB CYS A 30 10.838 -0.245 -3.506 1.00 0.00 C ATOM 459 SG CYS A 30 12.355 -0.511 -2.548 1.00 0.00 S ATOM 0 H CYS A 30 12.166 -2.379 -4.696 1.00 0.00 H new ATOM 0 HA CYS A 30 9.414 -1.847 -3.748 1.00 0.00 H new ATOM 0 HB2 CYS A 30 11.019 0.539 -4.241 1.00 0.00 H new ATOM 0 HB3 CYS A 30 10.059 0.119 -2.837 1.00 0.00 H new ATOM 0 HG CYS A 30 12.703 0.600 -1.969 1.00 0.00 H new ATOM 465 N THR A 31 8.714 -1.392 -6.037 1.00 0.00 N ATOM 466 CA THR A 31 8.232 -1.086 -7.376 1.00 0.00 C ATOM 467 C THR A 31 6.957 -0.256 -7.248 1.00 0.00 C ATOM 468 O THR A 31 6.074 -0.582 -6.455 1.00 0.00 O ATOM 469 CB THR A 31 7.973 -2.367 -8.192 1.00 0.00 C ATOM 470 OG1 THR A 31 7.997 -2.091 -9.582 1.00 0.00 O ATOM 471 CG2 THR A 31 6.636 -3.014 -7.916 1.00 0.00 C ATOM 0 H THR A 31 8.011 -1.795 -5.418 1.00 0.00 H new ATOM 0 HA THR A 31 8.994 -0.521 -7.913 1.00 0.00 H new ATOM 0 HB THR A 31 8.769 -3.047 -7.887 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.832 -2.917 -10.082 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.531 -3.909 -8.530 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.574 -3.287 -6.863 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.836 -2.314 -8.157 1.00 0.00 H new ATOM 479 N THR A 32 6.874 0.831 -7.994 1.00 0.00 N ATOM 480 CA THR A 32 5.715 1.703 -7.914 1.00 0.00 C ATOM 481 C THR A 32 4.849 1.602 -9.155 1.00 0.00 C ATOM 482 O THR A 32 5.254 1.042 -10.172 1.00 0.00 O ATOM 483 CB THR A 32 6.154 3.139 -7.680 1.00 0.00 C ATOM 484 OG1 THR A 32 7.068 3.550 -8.679 1.00 0.00 O ATOM 485 CG2 THR A 32 6.815 3.328 -6.335 1.00 0.00 C ATOM 0 H THR A 32 7.589 1.130 -8.657 1.00 0.00 H new ATOM 0 HA THR A 32 5.109 1.376 -7.069 1.00 0.00 H new ATOM 0 HB THR A 32 5.247 3.743 -7.715 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.040 2.918 -9.428 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.110 4.371 -6.218 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.115 3.058 -5.544 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.698 2.692 -6.271 1.00 0.00 H new ATOM 493 N PHE A 33 3.632 2.116 -9.042 1.00 0.00 N ATOM 494 CA PHE A 33 2.678 2.050 -10.135 1.00 0.00 C ATOM 495 C PHE A 33 1.961 3.380 -10.356 1.00 0.00 C ATOM 496 O PHE A 33 2.108 4.318 -9.572 1.00 0.00 O ATOM 497 CB PHE A 33 1.660 0.956 -9.846 1.00 0.00 C ATOM 498 CG PHE A 33 2.274 -0.402 -9.654 1.00 0.00 C ATOM 499 CD1 PHE A 33 3.136 -0.644 -8.596 1.00 0.00 C ATOM 500 CD2 PHE A 33 1.990 -1.438 -10.526 1.00 0.00 C ATOM 501 CE1 PHE A 33 3.704 -1.889 -8.414 1.00 0.00 C ATOM 502 CE2 PHE A 33 2.547 -2.685 -10.348 1.00 0.00 C ATOM 503 CZ PHE A 33 3.405 -2.916 -9.297 1.00 0.00 C ATOM 0 H PHE A 33 3.284 2.583 -8.204 1.00 0.00 H new ATOM 0 HA PHE A 33 3.229 1.824 -11.048 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.098 1.221 -8.950 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.946 0.910 -10.668 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.367 0.153 -7.904 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.322 -1.267 -11.358 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.378 -2.062 -7.588 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.310 -3.484 -11.035 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.844 -3.893 -9.160 1.00 0.00 H new ATOM 513 N GLU A 34 1.192 3.450 -11.441 1.00 0.00 N ATOM 514 CA GLU A 34 0.447 4.658 -11.786 1.00 0.00 C ATOM 515 C GLU A 34 -0.591 4.978 -10.716 1.00 0.00 C ATOM 516 O GLU A 34 -0.901 6.141 -10.462 1.00 0.00 O ATOM 517 CB GLU A 34 -0.236 4.500 -13.158 1.00 0.00 C ATOM 518 CG GLU A 34 -1.568 3.743 -13.124 1.00 0.00 C ATOM 519 CD GLU A 34 -1.528 2.422 -13.867 1.00 0.00 C ATOM 520 OE1 GLU A 34 -0.687 2.273 -14.778 1.00 0.00 O ATOM 521 OE2 GLU A 34 -2.345 1.534 -13.529 1.00 0.00 O ATOM 0 H GLU A 34 1.069 2.680 -12.099 1.00 0.00 H new ATOM 0 HA GLU A 34 1.154 5.486 -11.841 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.407 5.490 -13.580 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.446 3.980 -13.831 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.847 3.560 -12.086 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.346 4.372 -13.557 1.00 0.00 H new ATOM 528 N ASN A 35 -1.131 3.930 -10.102 1.00 0.00 N ATOM 529 CA ASN A 35 -2.143 4.084 -9.069 1.00 0.00 C ATOM 530 C ASN A 35 -2.567 2.720 -8.538 1.00 0.00 C ATOM 531 O ASN A 35 -2.070 1.688 -8.986 1.00 0.00 O ATOM 532 CB ASN A 35 -3.354 4.837 -9.621 1.00 0.00 C ATOM 533 CG ASN A 35 -4.121 4.022 -10.642 1.00 0.00 C ATOM 534 OD1 ASN A 35 -3.691 2.937 -11.034 1.00 0.00 O ATOM 535 ND2 ASN A 35 -5.261 4.540 -11.082 1.00 0.00 N ATOM 0 H ASN A 35 -0.882 2.962 -10.305 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.718 4.662 -8.248 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.018 5.104 -8.799 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.022 5.769 -10.078 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.818 4.036 -11.772 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.580 5.443 -10.730 1.00 0.00 H new ATOM 542 N GLY A 36 -3.483 2.719 -7.578 1.00 0.00 N ATOM 543 CA GLY A 36 -3.945 1.474 -6.997 1.00 0.00 C ATOM 544 C GLY A 36 -4.479 0.477 -8.014 1.00 0.00 C ATOM 545 O GLY A 36 -4.735 -0.671 -7.665 1.00 0.00 O ATOM 0 H GLY A 36 -3.914 3.559 -7.191 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.123 1.013 -6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.729 1.692 -6.272 1.00 0.00 H new ATOM 549 N ASN A 37 -4.665 0.905 -9.265 1.00 0.00 N ATOM 550 CA ASN A 37 -5.188 0.019 -10.301 1.00 0.00 C ATOM 551 C ASN A 37 -4.093 -0.827 -10.956 1.00 0.00 C ATOM 552 O ASN A 37 -4.278 -2.027 -11.174 1.00 0.00 O ATOM 553 CB ASN A 37 -5.946 0.819 -11.360 1.00 0.00 C ATOM 554 CG ASN A 37 -7.414 0.987 -11.013 1.00 0.00 C ATOM 555 OD1 ASN A 37 -8.072 -0.110 -10.653 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -7.951 2.093 -11.069 1.00 0.00 N flip ATOM 0 H ASN A 37 -4.462 1.853 -9.581 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.876 -0.670 -9.811 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.486 1.801 -11.469 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.858 0.317 -12.324 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.409 2.910 -11.350 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.938 2.193 -10.834 1.00 0.00 H new ATOM 563 N GLU A 38 -2.962 -0.207 -11.286 1.00 0.00 N ATOM 564 CA GLU A 38 -1.861 -0.919 -11.930 1.00 0.00 C ATOM 565 C GLU A 38 -1.466 -2.190 -11.169 1.00 0.00 C ATOM 566 O GLU A 38 -1.501 -3.286 -11.727 1.00 0.00 O ATOM 567 CB GLU A 38 -0.650 -0.002 -12.031 1.00 0.00 C ATOM 568 CG GLU A 38 0.211 -0.241 -13.265 1.00 0.00 C ATOM 569 CD GLU A 38 1.517 0.536 -13.227 1.00 0.00 C ATOM 570 OE1 GLU A 38 1.521 1.712 -13.648 1.00 0.00 O ATOM 571 OE2 GLU A 38 2.534 -0.035 -12.782 1.00 0.00 O ATOM 0 H GLU A 38 -2.784 0.783 -11.119 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.202 -1.216 -12.922 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.991 1.033 -12.034 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.034 -0.132 -11.141 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.428 -1.306 -13.351 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.350 0.043 -14.155 1.00 0.00 H new ATOM 578 N VAL A 39 -1.080 -2.043 -9.899 1.00 0.00 N ATOM 579 CA VAL A 39 -0.674 -3.193 -9.087 1.00 0.00 C ATOM 580 C VAL A 39 -1.676 -4.335 -9.210 1.00 0.00 C ATOM 581 O VAL A 39 -1.301 -5.506 -9.248 1.00 0.00 O ATOM 582 CB VAL A 39 -0.528 -2.815 -7.599 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.365 -4.057 -6.734 1.00 0.00 C ATOM 584 CG2 VAL A 39 0.647 -1.873 -7.399 1.00 0.00 C ATOM 0 H VAL A 39 -1.040 -1.147 -9.414 1.00 0.00 H new ATOM 0 HA VAL A 39 0.295 -3.517 -9.468 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.440 -2.303 -7.291 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.264 -3.762 -5.689 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.240 -4.697 -6.848 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.526 -4.602 -7.045 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.733 -1.618 -6.343 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.564 -2.360 -7.731 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.488 -0.964 -7.980 1.00 0.00 H new ATOM 594 N LEU A 40 -2.951 -3.978 -9.272 1.00 0.00 N ATOM 595 CA LEU A 40 -4.018 -4.964 -9.390 1.00 0.00 C ATOM 596 C LEU A 40 -3.805 -5.833 -10.623 1.00 0.00 C ATOM 597 O LEU A 40 -3.977 -7.051 -10.575 1.00 0.00 O ATOM 598 CB LEU A 40 -5.372 -4.260 -9.455 1.00 0.00 C ATOM 599 CG LEU A 40 -5.545 -3.139 -8.427 1.00 0.00 C ATOM 600 CD1 LEU A 40 -6.903 -2.467 -8.560 1.00 0.00 C ATOM 601 CD2 LEU A 40 -5.354 -3.677 -7.016 1.00 0.00 C ATOM 0 H LEU A 40 -3.273 -3.011 -9.243 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.001 -5.610 -8.512 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.506 -3.846 -10.454 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.160 -4.998 -9.308 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.781 -2.387 -8.623 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.992 -1.676 -7.815 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.001 -2.039 -9.558 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.691 -3.204 -8.403 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.480 -2.867 -6.298 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.092 -4.454 -6.820 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.352 -4.095 -6.919 1.00 0.00 H new ATOM 613 N ALA A 41 -3.409 -5.204 -11.722 1.00 0.00 N ATOM 614 CA ALA A 41 -3.149 -5.927 -12.958 1.00 0.00 C ATOM 615 C ALA A 41 -1.854 -6.718 -12.841 1.00 0.00 C ATOM 616 O ALA A 41 -1.799 -7.905 -13.162 1.00 0.00 O ATOM 617 CB ALA A 41 -3.087 -4.969 -14.136 1.00 0.00 C ATOM 0 H ALA A 41 -3.261 -4.197 -11.782 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.968 -6.625 -13.131 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.892 -5.529 -15.051 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.038 -4.444 -14.228 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.287 -4.246 -13.975 1.00 0.00 H new ATOM 623 N ALA A 42 -0.820 -6.044 -12.365 1.00 0.00 N ATOM 624 CA ALA A 42 0.491 -6.663 -12.179 1.00 0.00 C ATOM 625 C ALA A 42 0.419 -7.815 -11.180 1.00 0.00 C ATOM 626 O ALA A 42 1.206 -8.759 -11.251 1.00 0.00 O ATOM 627 CB ALA A 42 1.507 -5.619 -11.719 1.00 0.00 C ATOM 0 H ALA A 42 -0.860 -5.061 -12.097 1.00 0.00 H new ATOM 0 HA ALA A 42 0.814 -7.070 -13.137 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.479 -6.092 -11.584 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.587 -4.833 -12.470 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.180 -5.185 -10.774 1.00 0.00 H new ATOM 633 N LEU A 43 -0.523 -7.729 -10.243 1.00 0.00 N ATOM 634 CA LEU A 43 -0.683 -8.762 -9.224 1.00 0.00 C ATOM 635 C LEU A 43 -1.120 -10.094 -9.828 1.00 0.00 C ATOM 636 O LEU A 43 -0.884 -11.154 -9.249 1.00 0.00 O ATOM 637 CB LEU A 43 -1.698 -8.329 -8.165 1.00 0.00 C ATOM 638 CG LEU A 43 -1.140 -7.451 -7.050 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.273 -6.728 -6.341 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.329 -8.294 -6.075 1.00 0.00 C ATOM 0 H LEU A 43 -1.185 -6.957 -10.169 1.00 0.00 H new ATOM 0 HA LEU A 43 0.293 -8.899 -8.758 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.507 -7.791 -8.659 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.136 -9.222 -7.718 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.476 -6.702 -7.481 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.865 -6.103 -5.546 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.809 -6.103 -7.055 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.959 -7.459 -5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.065 -7.657 -5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.968 -9.062 -5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.498 -8.768 -6.604 1.00 0.00 H new ATOM 652 N ALA A 44 -1.766 -10.034 -10.986 1.00 0.00 N ATOM 653 CA ALA A 44 -2.245 -11.238 -11.658 1.00 0.00 C ATOM 654 C ALA A 44 -1.105 -12.210 -11.965 1.00 0.00 C ATOM 655 O ALA A 44 -1.343 -13.381 -12.258 1.00 0.00 O ATOM 656 CB ALA A 44 -2.985 -10.872 -12.936 1.00 0.00 C ATOM 0 H ALA A 44 -1.971 -9.165 -11.480 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.933 -11.741 -10.978 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.336 -11.780 -13.426 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.838 -10.237 -12.694 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.312 -10.336 -13.605 1.00 0.00 H new ATOM 662 N SER A 45 0.131 -11.722 -11.901 1.00 0.00 N ATOM 663 CA SER A 45 1.288 -12.553 -12.179 1.00 0.00 C ATOM 664 C SER A 45 2.301 -12.528 -11.031 1.00 0.00 C ATOM 665 O SER A 45 3.325 -13.207 -11.091 1.00 0.00 O ATOM 666 CB SER A 45 1.959 -12.104 -13.480 1.00 0.00 C ATOM 667 OG SER A 45 1.616 -12.966 -14.553 1.00 0.00 O ATOM 0 H SER A 45 0.352 -10.756 -11.659 1.00 0.00 H new ATOM 0 HA SER A 45 0.936 -13.579 -12.286 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.655 -11.084 -13.717 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.041 -12.092 -13.350 1.00 0.00 H new ATOM 0 HG SER A 45 2.055 -12.658 -15.373 1.00 0.00 H new ATOM 673 N LYS A 46 2.015 -11.753 -9.986 1.00 0.00 N ATOM 674 CA LYS A 46 2.915 -11.665 -8.842 1.00 0.00 C ATOM 675 C LYS A 46 2.214 -11.064 -7.626 1.00 0.00 C ATOM 676 O LYS A 46 1.191 -10.399 -7.753 1.00 0.00 O ATOM 677 CB LYS A 46 4.152 -10.836 -9.194 1.00 0.00 C ATOM 678 CG LYS A 46 5.446 -11.406 -8.634 1.00 0.00 C ATOM 679 CD LYS A 46 6.093 -10.455 -7.641 1.00 0.00 C ATOM 680 CE LYS A 46 7.610 -10.480 -7.745 1.00 0.00 C ATOM 681 NZ LYS A 46 8.202 -9.116 -7.642 1.00 0.00 N ATOM 0 H LYS A 46 1.173 -11.182 -9.910 1.00 0.00 H new ATOM 0 HA LYS A 46 3.225 -12.679 -8.589 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.235 -10.765 -10.279 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.019 -9.822 -8.818 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.243 -12.359 -8.146 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.139 -11.607 -9.451 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.733 -9.442 -7.820 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.793 -10.726 -6.629 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.017 -11.112 -6.955 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.900 -10.930 -8.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.555 -8.820 -8.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.476 -8.446 -7.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.989 -9.129 -6.962 1.00 0.00 H new ATOM 695 N THR A 47 2.776 -11.310 -6.447 1.00 0.00 N ATOM 696 CA THR A 47 2.211 -10.799 -5.207 1.00 0.00 C ATOM 697 C THR A 47 3.307 -10.298 -4.261 1.00 0.00 C ATOM 698 O THR A 47 4.129 -11.087 -3.793 1.00 0.00 O ATOM 699 CB THR A 47 1.389 -11.891 -4.517 1.00 0.00 C ATOM 700 OG1 THR A 47 0.293 -12.282 -5.325 1.00 0.00 O ATOM 701 CG2 THR A 47 0.840 -11.472 -3.171 1.00 0.00 C ATOM 0 H THR A 47 3.625 -11.862 -6.326 1.00 0.00 H new ATOM 0 HA THR A 47 1.564 -9.957 -5.454 1.00 0.00 H new ATOM 0 HB THR A 47 2.083 -12.718 -4.365 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.218 -12.981 -4.867 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.268 -12.294 -2.739 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.664 -11.215 -2.506 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.191 -10.605 -3.297 1.00 0.00 H new ATOM 709 N PRO A 48 3.333 -8.987 -3.947 1.00 0.00 N ATOM 710 CA PRO A 48 4.332 -8.426 -3.036 1.00 0.00 C ATOM 711 C PRO A 48 3.996 -8.732 -1.581 1.00 0.00 C ATOM 712 O PRO A 48 2.866 -9.098 -1.264 1.00 0.00 O ATOM 713 CB PRO A 48 4.242 -6.925 -3.304 1.00 0.00 C ATOM 714 CG PRO A 48 2.827 -6.705 -3.712 1.00 0.00 C ATOM 715 CD PRO A 48 2.395 -7.957 -4.432 1.00 0.00 C ATOM 0 HA PRO A 48 5.328 -8.839 -3.198 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.493 -6.347 -2.415 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.934 -6.619 -4.089 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.196 -6.519 -2.843 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.740 -5.834 -4.361 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.362 -8.216 -4.199 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.457 -7.837 -5.514 1.00 0.00 H new ATOM 723 N ASP A 49 4.973 -8.586 -0.696 1.00 0.00 N ATOM 724 CA ASP A 49 4.751 -8.860 0.719 1.00 0.00 C ATOM 725 C ASP A 49 3.929 -7.755 1.376 1.00 0.00 C ATOM 726 O ASP A 49 3.309 -7.969 2.419 1.00 0.00 O ATOM 727 CB ASP A 49 6.085 -9.025 1.448 1.00 0.00 C ATOM 728 CG ASP A 49 6.797 -10.305 1.058 1.00 0.00 C ATOM 729 OD1 ASP A 49 7.176 -10.435 -0.125 1.00 0.00 O ATOM 730 OD2 ASP A 49 6.975 -11.176 1.934 1.00 0.00 O ATOM 0 H ASP A 49 5.919 -8.282 -0.929 1.00 0.00 H new ATOM 0 HA ASP A 49 4.189 -9.791 0.792 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.726 -8.172 1.225 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.912 -9.021 2.524 1.00 0.00 H new ATOM 735 N VAL A 50 3.935 -6.570 0.771 1.00 0.00 N ATOM 736 CA VAL A 50 3.197 -5.436 1.307 1.00 0.00 C ATOM 737 C VAL A 50 2.696 -4.538 0.172 1.00 0.00 C ATOM 738 O VAL A 50 3.086 -4.715 -0.982 1.00 0.00 O ATOM 739 CB VAL A 50 4.094 -4.634 2.268 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.320 -4.128 1.538 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.337 -3.486 2.908 1.00 0.00 C ATOM 0 H VAL A 50 4.444 -6.373 -0.091 1.00 0.00 H new ATOM 0 HA VAL A 50 2.333 -5.808 1.857 1.00 0.00 H new ATOM 0 HB VAL A 50 4.412 -5.301 3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.947 -3.562 2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.884 -4.974 1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.013 -3.483 0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.001 -2.942 3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.974 -2.812 2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.491 -3.878 3.473 1.00 0.00 H new ATOM 751 N LEU A 51 1.823 -3.582 0.496 1.00 0.00 N ATOM 752 CA LEU A 51 1.267 -2.683 -0.515 1.00 0.00 C ATOM 753 C LEU A 51 0.867 -1.338 0.096 1.00 0.00 C ATOM 754 O LEU A 51 0.166 -1.285 1.105 1.00 0.00 O ATOM 755 CB LEU A 51 0.046 -3.334 -1.184 1.00 0.00 C ATOM 756 CG LEU A 51 -0.222 -2.899 -2.628 1.00 0.00 C ATOM 757 CD1 LEU A 51 1.040 -3.037 -3.468 1.00 0.00 C ATOM 758 CD2 LEU A 51 -1.362 -3.710 -3.234 1.00 0.00 C ATOM 0 H LEU A 51 1.488 -3.412 1.444 1.00 0.00 H new ATOM 0 HA LEU A 51 2.039 -2.501 -1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.177 -4.416 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.837 -3.111 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.519 -1.850 -2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.832 -2.724 -4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.826 -2.409 -3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.366 -4.077 -3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.535 -3.384 -4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.099 -4.768 -3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.268 -3.559 -2.647 1.00 0.00 H new ATOM 770 N LEU A 52 1.324 -0.256 -0.535 1.00 0.00 N ATOM 771 CA LEU A 52 1.027 1.106 -0.080 1.00 0.00 C ATOM 772 C LEU A 52 0.194 1.833 -1.134 1.00 0.00 C ATOM 773 O LEU A 52 0.573 1.870 -2.303 1.00 0.00 O ATOM 774 CB LEU A 52 2.333 1.873 0.164 1.00 0.00 C ATOM 775 CG LEU A 52 2.605 2.265 1.615 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.099 2.249 1.903 1.00 0.00 C ATOM 777 CD2 LEU A 52 2.019 3.638 1.907 1.00 0.00 C ATOM 0 H LEU A 52 1.907 -0.296 -1.371 1.00 0.00 H new ATOM 0 HA LEU A 52 0.464 1.054 0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.164 1.263 -0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.321 2.779 -0.442 1.00 0.00 H new ATOM 0 HG LEU A 52 2.125 1.536 2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.272 2.531 2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.493 1.248 1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.604 2.957 1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.219 3.906 2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.475 4.376 1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.942 3.617 1.739 1.00 0.00 H new ATOM 789 N SER A 53 -0.949 2.392 -0.736 1.00 0.00 N ATOM 790 CA SER A 53 -1.812 3.080 -1.692 1.00 0.00 C ATOM 791 C SER A 53 -2.028 4.552 -1.371 1.00 0.00 C ATOM 792 O SER A 53 -2.461 4.919 -0.273 1.00 0.00 O ATOM 793 CB SER A 53 -3.166 2.383 -1.782 1.00 0.00 C ATOM 794 OG SER A 53 -3.613 2.311 -3.124 1.00 0.00 O ATOM 0 H SER A 53 -1.293 2.382 0.224 1.00 0.00 H new ATOM 0 HA SER A 53 -1.292 3.034 -2.649 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.090 1.378 -1.366 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.897 2.923 -1.180 1.00 0.00 H new ATOM 0 HG SER A 53 -4.585 2.436 -3.152 1.00 0.00 H new ATOM 800 N ASP A 54 -1.748 5.387 -2.368 1.00 0.00 N ATOM 801 CA ASP A 54 -1.943 6.821 -2.247 1.00 0.00 C ATOM 802 C ASP A 54 -3.402 7.167 -2.537 1.00 0.00 C ATOM 803 O ASP A 54 -3.827 7.196 -3.692 1.00 0.00 O ATOM 804 CB ASP A 54 -1.011 7.571 -3.205 1.00 0.00 C ATOM 805 CG ASP A 54 -1.098 9.077 -3.041 1.00 0.00 C ATOM 806 OD1 ASP A 54 -0.409 9.617 -2.150 1.00 0.00 O ATOM 807 OD2 ASP A 54 -1.853 9.714 -3.804 1.00 0.00 O ATOM 0 H ASP A 54 -1.383 5.088 -3.273 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.702 7.129 -1.229 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.016 7.249 -3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.261 7.306 -4.232 1.00 0.00 H new ATOM 812 N ILE A 55 -4.163 7.406 -1.481 1.00 0.00 N ATOM 813 CA ILE A 55 -5.581 7.739 -1.603 1.00 0.00 C ATOM 814 C ILE A 55 -5.758 9.117 -2.231 1.00 0.00 C ATOM 815 O ILE A 55 -5.747 10.135 -1.538 1.00 0.00 O ATOM 816 CB ILE A 55 -6.260 7.711 -0.215 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.709 8.219 -0.261 1.00 0.00 C ATOM 818 CG2 ILE A 55 -5.451 8.545 0.751 1.00 0.00 C ATOM 819 CD1 ILE A 55 -8.333 8.411 1.111 1.00 0.00 C ATOM 0 H ILE A 55 -3.822 7.376 -0.520 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.050 6.995 -2.247 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.296 6.674 0.118 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.735 9.167 -0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.314 7.513 -0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.926 8.529 1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.443 8.137 0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.399 9.572 0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.356 8.771 0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.340 7.460 1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.752 9.140 1.676 1.00 0.00 H new ATOM 831 N ARG A 56 -5.912 9.147 -3.548 1.00 0.00 N ATOM 832 CA ARG A 56 -6.078 10.405 -4.265 1.00 0.00 C ATOM 833 C ARG A 56 -7.199 10.315 -5.302 1.00 0.00 C ATOM 834 O ARG A 56 -6.976 10.520 -6.493 1.00 0.00 O ATOM 835 CB ARG A 56 -4.758 10.806 -4.935 1.00 0.00 C ATOM 836 CG ARG A 56 -4.261 9.808 -5.971 1.00 0.00 C ATOM 837 CD ARG A 56 -3.826 10.506 -7.251 1.00 0.00 C ATOM 838 NE ARG A 56 -3.356 9.564 -8.264 1.00 0.00 N ATOM 839 CZ ARG A 56 -4.154 8.727 -8.921 1.00 0.00 C ATOM 840 NH1 ARG A 56 -5.455 8.706 -8.667 1.00 0.00 N ATOM 841 NH2 ARG A 56 -3.652 7.912 -9.837 1.00 0.00 N ATOM 0 H ARG A 56 -5.925 8.317 -4.141 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.359 11.171 -3.542 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.886 11.777 -5.413 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.994 10.927 -4.167 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.424 9.242 -5.561 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.051 9.091 -6.196 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.662 11.080 -7.651 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.032 11.217 -7.023 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.359 9.547 -8.480 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.848 9.333 -7.965 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.063 8.062 -9.173 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.652 7.926 -10.039 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.265 7.271 -10.340 1.00 0.00 H new ATOM 855 N MET A 57 -8.409 10.007 -4.829 1.00 0.00 N ATOM 856 CA MET A 57 -9.593 9.886 -5.686 1.00 0.00 C ATOM 857 C MET A 57 -9.305 9.172 -7.012 1.00 0.00 C ATOM 858 O MET A 57 -9.694 9.648 -8.078 1.00 0.00 O ATOM 859 CB MET A 57 -10.210 11.265 -5.957 1.00 0.00 C ATOM 860 CG MET A 57 -9.331 12.188 -6.787 1.00 0.00 C ATOM 861 SD MET A 57 -9.949 13.884 -6.834 1.00 0.00 S ATOM 862 CE MET A 57 -11.541 13.657 -7.624 1.00 0.00 C ATOM 0 H MET A 57 -8.597 9.834 -3.841 1.00 0.00 H new ATOM 0 HA MET A 57 -10.304 9.268 -5.138 1.00 0.00 H new ATOM 0 HB2 MET A 57 -11.162 11.130 -6.470 1.00 0.00 H new ATOM 0 HB3 MET A 57 -10.427 11.748 -5.004 1.00 0.00 H new ATOM 0 HG2 MET A 57 -8.321 12.185 -6.378 1.00 0.00 H new ATOM 0 HG3 MET A 57 -9.264 11.802 -7.804 1.00 0.00 H new ATOM 0 HE1 MET A 57 -11.945 14.627 -7.914 1.00 0.00 H new ATOM 0 HE2 MET A 57 -11.422 13.034 -8.511 1.00 0.00 H new ATOM 0 HE3 MET A 57 -12.226 13.171 -6.929 1.00 0.00 H new ATOM 872 N PRO A 58 -8.635 8.008 -6.964 1.00 0.00 N ATOM 873 CA PRO A 58 -8.327 7.232 -8.169 1.00 0.00 C ATOM 874 C PRO A 58 -9.578 6.596 -8.776 1.00 0.00 C ATOM 875 O PRO A 58 -10.145 7.119 -9.736 1.00 0.00 O ATOM 876 CB PRO A 58 -7.357 6.160 -7.669 1.00 0.00 C ATOM 877 CG PRO A 58 -7.648 6.017 -6.213 1.00 0.00 C ATOM 878 CD PRO A 58 -8.147 7.354 -5.740 1.00 0.00 C ATOM 0 HA PRO A 58 -7.911 7.852 -8.963 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.507 5.217 -8.195 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.322 6.457 -7.836 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.395 5.242 -6.042 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.752 5.722 -5.666 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.942 7.245 -5.002 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.352 7.932 -5.269 1.00 0.00 H new ATOM 886 N GLY A 59 -10.012 5.474 -8.206 1.00 0.00 N ATOM 887 CA GLY A 59 -11.197 4.797 -8.694 1.00 0.00 C ATOM 888 C GLY A 59 -12.367 4.965 -7.744 1.00 0.00 C ATOM 889 O GLY A 59 -13.527 4.863 -8.145 1.00 0.00 O ATOM 0 H GLY A 59 -9.560 5.022 -7.411 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.464 5.191 -9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.983 3.736 -8.825 1.00 0.00 H new ATOM 893 N MET A 60 -12.052 5.228 -6.479 1.00 0.00 N ATOM 894 CA MET A 60 -13.062 5.420 -5.447 1.00 0.00 C ATOM 895 C MET A 60 -12.455 6.108 -4.229 1.00 0.00 C ATOM 896 O MET A 60 -12.300 5.497 -3.166 1.00 0.00 O ATOM 897 CB MET A 60 -13.682 4.082 -5.040 1.00 0.00 C ATOM 898 CG MET A 60 -14.965 4.229 -4.240 1.00 0.00 C ATOM 899 SD MET A 60 -16.297 4.984 -5.193 1.00 0.00 S ATOM 900 CE MET A 60 -17.707 4.628 -4.147 1.00 0.00 C ATOM 0 H MET A 60 -11.093 5.313 -6.143 1.00 0.00 H new ATOM 0 HA MET A 60 -13.848 6.056 -5.855 1.00 0.00 H new ATOM 0 HB2 MET A 60 -13.887 3.497 -5.937 1.00 0.00 H new ATOM 0 HB3 MET A 60 -12.958 3.519 -4.451 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.285 3.247 -3.891 1.00 0.00 H new ATOM 0 HG3 MET A 60 -14.769 4.834 -3.355 1.00 0.00 H new ATOM 0 HE1 MET A 60 -18.610 5.033 -4.603 1.00 0.00 H new ATOM 0 HE2 MET A 60 -17.811 3.549 -4.032 1.00 0.00 H new ATOM 0 HE3 MET A 60 -17.559 5.085 -3.168 1.00 0.00 H new ATOM 910 N ASP A 61 -12.101 7.383 -4.403 1.00 0.00 N ATOM 911 CA ASP A 61 -11.506 8.197 -3.338 1.00 0.00 C ATOM 912 C ASP A 61 -10.099 7.731 -2.972 1.00 0.00 C ATOM 913 O ASP A 61 -9.284 8.517 -2.488 1.00 0.00 O ATOM 914 CB ASP A 61 -12.398 8.180 -2.099 1.00 0.00 C ATOM 915 CG ASP A 61 -12.831 9.572 -1.685 1.00 0.00 C ATOM 916 OD1 ASP A 61 -11.994 10.498 -1.752 1.00 0.00 O ATOM 917 OD2 ASP A 61 -14.006 9.739 -1.296 1.00 0.00 O ATOM 0 H ASP A 61 -12.218 7.881 -5.285 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.426 9.216 -3.718 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.280 7.571 -2.297 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.863 7.708 -1.275 1.00 0.00 H new ATOM 922 N GLY A 62 -9.824 6.455 -3.197 1.00 0.00 N ATOM 923 CA GLY A 62 -8.528 5.897 -2.879 1.00 0.00 C ATOM 924 C GLY A 62 -8.669 4.508 -2.303 1.00 0.00 C ATOM 925 O GLY A 62 -7.792 3.662 -2.470 1.00 0.00 O ATOM 0 H GLY A 62 -10.485 5.790 -3.599 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.912 5.862 -3.777 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.015 6.541 -2.165 1.00 0.00 H new ATOM 929 N LEU A 63 -9.794 4.274 -1.633 1.00 0.00 N ATOM 930 CA LEU A 63 -10.072 2.979 -1.043 1.00 0.00 C ATOM 931 C LEU A 63 -10.479 1.978 -2.122 1.00 0.00 C ATOM 932 O LEU A 63 -10.527 0.772 -1.873 1.00 0.00 O ATOM 933 CB LEU A 63 -11.161 3.088 0.025 1.00 0.00 C ATOM 934 CG LEU A 63 -10.984 4.238 1.020 1.00 0.00 C ATOM 935 CD1 LEU A 63 -11.680 5.496 0.521 1.00 0.00 C ATOM 936 CD2 LEU A 63 -11.508 3.840 2.391 1.00 0.00 C ATOM 0 H LEU A 63 -10.526 4.969 -1.488 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.161 2.622 -0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.124 3.203 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.198 2.151 0.580 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.919 4.454 1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.541 6.300 1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.253 5.792 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.745 5.298 0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.374 4.669 3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.567 3.594 2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.958 2.971 2.753 1.00 0.00 H new ATOM 948 N ALA A 64 -10.757 2.479 -3.328 1.00 0.00 N ATOM 949 CA ALA A 64 -11.139 1.612 -4.439 1.00 0.00 C ATOM 950 C ALA A 64 -10.099 0.513 -4.640 1.00 0.00 C ATOM 951 O ALA A 64 -10.413 -0.574 -5.124 1.00 0.00 O ATOM 952 CB ALA A 64 -11.296 2.430 -5.713 1.00 0.00 C ATOM 0 H ALA A 64 -10.725 3.473 -3.557 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.095 1.144 -4.203 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.581 1.773 -6.535 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.069 3.185 -5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.351 2.919 -5.950 1.00 0.00 H new ATOM 958 N LEU A 65 -8.861 0.803 -4.245 1.00 0.00 N ATOM 959 CA LEU A 65 -7.772 -0.158 -4.356 1.00 0.00 C ATOM 960 C LEU A 65 -8.112 -1.416 -3.560 1.00 0.00 C ATOM 961 O LEU A 65 -8.236 -2.506 -4.119 1.00 0.00 O ATOM 962 CB LEU A 65 -6.469 0.470 -3.837 1.00 0.00 C ATOM 963 CG LEU A 65 -5.336 -0.512 -3.507 1.00 0.00 C ATOM 964 CD1 LEU A 65 -4.175 -0.350 -4.479 1.00 0.00 C ATOM 965 CD2 LEU A 65 -4.856 -0.316 -2.073 1.00 0.00 C ATOM 0 H LEU A 65 -8.589 1.700 -3.844 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.635 -0.432 -5.402 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.106 1.176 -4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.698 1.045 -2.940 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.728 -1.524 -3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.385 -1.057 -4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.521 -0.543 -5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.786 0.666 -4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.053 -1.021 -1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.488 0.702 -1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.684 -0.489 -1.385 1.00 0.00 H new ATOM 977 N LEU A 66 -8.272 -1.244 -2.250 1.00 0.00 N ATOM 978 CA LEU A 66 -8.610 -2.347 -1.352 1.00 0.00 C ATOM 979 C LEU A 66 -9.697 -3.237 -1.953 1.00 0.00 C ATOM 980 O LEU A 66 -9.609 -4.464 -1.897 1.00 0.00 O ATOM 981 CB LEU A 66 -9.061 -1.791 0.003 1.00 0.00 C ATOM 982 CG LEU A 66 -8.074 -0.818 0.660 1.00 0.00 C ATOM 983 CD1 LEU A 66 -8.805 0.153 1.575 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.000 -1.576 1.430 1.00 0.00 C ATOM 0 H LEU A 66 -8.172 -0.343 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.721 -2.961 -1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.017 -1.283 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.234 -2.625 0.683 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.587 -0.244 -0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.087 0.834 2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.529 0.725 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.324 -0.403 2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.311 -0.866 1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.468 -2.180 2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.452 -2.225 0.747 1.00 0.00 H new ATOM 996 N LYS A 67 -10.716 -2.611 -2.535 1.00 0.00 N ATOM 997 CA LYS A 67 -11.815 -3.349 -3.157 1.00 0.00 C ATOM 998 C LYS A 67 -11.294 -4.357 -4.185 1.00 0.00 C ATOM 999 O LYS A 67 -11.548 -5.559 -4.081 1.00 0.00 O ATOM 1000 CB LYS A 67 -12.788 -2.378 -3.833 1.00 0.00 C ATOM 1001 CG LYS A 67 -13.648 -1.592 -2.855 1.00 0.00 C ATOM 1002 CD LYS A 67 -14.888 -1.029 -3.532 1.00 0.00 C ATOM 1003 CE LYS A 67 -15.455 0.162 -2.771 1.00 0.00 C ATOM 1004 NZ LYS A 67 -16.929 0.054 -2.582 1.00 0.00 N ATOM 0 H LYS A 67 -10.805 -1.596 -2.590 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.336 -3.897 -2.372 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.221 -1.679 -4.447 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.438 -2.938 -4.505 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.945 -2.238 -2.029 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.063 -0.777 -2.428 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.641 -0.726 -4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.647 -1.808 -3.606 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.969 0.235 -1.798 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.225 1.080 -3.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.274 0.885 -2.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.396 0.010 -3.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.148 -0.809 -2.044 1.00 0.00 H new ATOM 1018 N GLN A 68 -10.565 -3.864 -5.180 1.00 0.00 N ATOM 1019 CA GLN A 68 -10.017 -4.725 -6.221 1.00 0.00 C ATOM 1020 C GLN A 68 -9.042 -5.744 -5.633 1.00 0.00 C ATOM 1021 O GLN A 68 -8.876 -6.839 -6.171 1.00 0.00 O ATOM 1022 CB GLN A 68 -9.311 -3.889 -7.288 1.00 0.00 C ATOM 1023 CG GLN A 68 -10.160 -2.757 -7.855 1.00 0.00 C ATOM 1024 CD GLN A 68 -11.094 -3.215 -8.960 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -11.414 -4.397 -9.071 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -11.536 -2.271 -9.784 1.00 0.00 N ATOM 0 H GLN A 68 -10.340 -2.875 -5.288 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.846 -5.264 -6.680 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.401 -3.467 -6.861 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.006 -4.544 -8.104 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.747 -2.312 -7.051 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.505 -1.976 -8.241 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.244 -1.303 -9.654 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.168 -2.515 -10.547 1.00 0.00 H new ATOM 1035 N ILE A 69 -8.398 -5.377 -4.530 1.00 0.00 N ATOM 1036 CA ILE A 69 -7.438 -6.258 -3.873 1.00 0.00 C ATOM 1037 C ILE A 69 -8.108 -7.525 -3.367 1.00 0.00 C ATOM 1038 O ILE A 69 -7.565 -8.622 -3.490 1.00 0.00 O ATOM 1039 CB ILE A 69 -6.732 -5.554 -2.696 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -5.948 -4.347 -3.201 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -5.807 -6.515 -1.951 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -5.544 -3.408 -2.096 1.00 0.00 C ATOM 0 H ILE A 69 -8.523 -4.475 -4.072 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.693 -6.521 -4.624 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.496 -5.215 -1.996 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.055 -4.692 -3.722 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.553 -3.805 -3.928 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.324 -5.990 -1.127 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.389 -7.349 -1.558 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.048 -6.893 -2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.989 -2.569 -2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.435 -3.037 -1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.914 -3.937 -1.381 1.00 0.00 H new ATOM 1054 N LYS A 70 -9.284 -7.369 -2.792 1.00 0.00 N ATOM 1055 CA LYS A 70 -10.018 -8.507 -2.265 1.00 0.00 C ATOM 1056 C LYS A 70 -10.480 -9.415 -3.395 1.00 0.00 C ATOM 1057 O LYS A 70 -10.619 -10.626 -3.220 1.00 0.00 O ATOM 1058 CB LYS A 70 -11.206 -8.051 -1.418 1.00 0.00 C ATOM 1059 CG LYS A 70 -12.290 -7.345 -2.210 1.00 0.00 C ATOM 1060 CD LYS A 70 -13.671 -7.659 -1.664 1.00 0.00 C ATOM 1061 CE LYS A 70 -14.053 -6.704 -0.545 1.00 0.00 C ATOM 1062 NZ LYS A 70 -15.366 -6.048 -0.795 1.00 0.00 N ATOM 0 H LYS A 70 -9.752 -6.470 -2.677 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.345 -9.073 -1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.640 -8.919 -0.921 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.847 -7.382 -0.636 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.122 -6.268 -2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.234 -7.647 -3.256 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.405 -7.594 -2.467 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.694 -8.684 -1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.094 -7.249 0.398 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.281 -5.942 -0.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.588 -5.405 -0.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.320 -5.507 -1.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.108 -6.773 -0.870 1.00 0.00 H new ATOM 1076 N GLN A 71 -10.709 -8.818 -4.557 1.00 0.00 N ATOM 1077 CA GLN A 71 -11.145 -9.565 -5.725 1.00 0.00 C ATOM 1078 C GLN A 71 -10.038 -10.479 -6.234 1.00 0.00 C ATOM 1079 O GLN A 71 -10.285 -11.619 -6.626 1.00 0.00 O ATOM 1080 CB GLN A 71 -11.582 -8.606 -6.832 1.00 0.00 C ATOM 1081 CG GLN A 71 -13.045 -8.206 -6.749 1.00 0.00 C ATOM 1082 CD GLN A 71 -13.319 -6.871 -7.412 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -13.041 -5.790 -6.693 1.00 0.00 O flip ATOM 1084 NE2 GLN A 71 -13.774 -6.812 -8.554 1.00 0.00 N flip ATOM 0 H GLN A 71 -10.599 -7.816 -4.714 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.993 -10.185 -5.433 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.966 -7.708 -6.787 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.396 -9.072 -7.799 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -13.656 -8.975 -7.221 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -13.346 -8.157 -5.703 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.972 -7.670 -9.069 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.953 -5.905 -8.986 1.00 0.00 H new ATOM 1093 N ARG A 72 -8.818 -9.967 -6.224 1.00 0.00 N ATOM 1094 CA ARG A 72 -7.660 -10.728 -6.684 1.00 0.00 C ATOM 1095 C ARG A 72 -6.987 -11.442 -5.520 1.00 0.00 C ATOM 1096 O ARG A 72 -7.132 -12.650 -5.341 1.00 0.00 O ATOM 1097 CB ARG A 72 -6.659 -9.803 -7.385 1.00 0.00 C ATOM 1098 CG ARG A 72 -7.222 -9.114 -8.617 1.00 0.00 C ATOM 1099 CD ARG A 72 -6.439 -7.855 -8.952 1.00 0.00 C ATOM 1100 NE ARG A 72 -7.153 -7.005 -9.902 1.00 0.00 N ATOM 1101 CZ ARG A 72 -7.274 -7.280 -11.199 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -6.748 -8.390 -11.702 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -7.926 -6.444 -11.994 1.00 0.00 N ATOM 0 H ARG A 72 -8.600 -9.024 -5.902 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.005 -11.478 -7.396 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.322 -9.045 -6.678 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.782 -10.383 -7.673 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.193 -9.799 -9.464 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.268 -8.860 -8.448 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.245 -7.294 -8.038 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.470 -8.130 -9.368 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.584 -6.150 -9.551 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.248 -9.038 -11.094 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.844 -8.595 -12.697 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.334 -5.591 -11.612 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.019 -6.654 -12.988 1.00 0.00 H new ATOM 1117 N HIS A 73 -6.255 -10.676 -4.736 1.00 0.00 N ATOM 1118 CA HIS A 73 -5.550 -11.202 -3.575 1.00 0.00 C ATOM 1119 C HIS A 73 -6.119 -10.620 -2.283 1.00 0.00 C ATOM 1120 O HIS A 73 -5.545 -9.697 -1.704 1.00 0.00 O ATOM 1121 CB HIS A 73 -4.049 -10.901 -3.676 1.00 0.00 C ATOM 1122 CG HIS A 73 -3.706 -9.440 -3.729 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -2.425 -8.974 -3.544 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -4.475 -8.339 -3.926 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -2.422 -7.655 -3.618 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -3.650 -7.247 -3.850 1.00 0.00 N ATOM 0 H HIS A 73 -6.130 -9.674 -4.881 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.690 -12.283 -3.556 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -3.544 -11.348 -2.820 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.654 -11.386 -4.569 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -1.605 -9.556 -3.376 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -5.539 -8.326 -4.109 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -1.556 -7.019 -3.507 1.00 0.00 H new ATOM 1135 N PRO A 74 -7.266 -11.151 -1.811 1.00 0.00 N ATOM 1136 CA PRO A 74 -7.916 -10.674 -0.582 1.00 0.00 C ATOM 1137 C PRO A 74 -7.149 -11.045 0.685 1.00 0.00 C ATOM 1138 O PRO A 74 -7.726 -11.574 1.635 1.00 0.00 O ATOM 1139 CB PRO A 74 -9.276 -11.376 -0.604 1.00 0.00 C ATOM 1140 CG PRO A 74 -9.050 -12.611 -1.406 1.00 0.00 C ATOM 1141 CD PRO A 74 -8.023 -12.250 -2.444 1.00 0.00 C ATOM 0 HA PRO A 74 -7.975 -9.586 -0.560 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.615 -11.615 0.404 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -10.041 -10.744 -1.056 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.697 -13.427 -0.775 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.975 -12.947 -1.873 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.379 -13.096 -2.683 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.489 -11.932 -3.376 1.00 0.00 H new ATOM 1149 N MET A 75 -5.853 -10.752 0.697 1.00 0.00 N ATOM 1150 CA MET A 75 -5.002 -11.048 1.851 1.00 0.00 C ATOM 1151 C MET A 75 -3.856 -10.051 1.948 1.00 0.00 C ATOM 1152 O MET A 75 -3.448 -9.653 3.041 1.00 0.00 O ATOM 1153 CB MET A 75 -4.439 -12.464 1.750 1.00 0.00 C ATOM 1154 CG MET A 75 -5.493 -13.549 1.877 1.00 0.00 C ATOM 1155 SD MET A 75 -5.148 -14.971 0.825 1.00 0.00 S ATOM 1156 CE MET A 75 -4.642 -16.177 2.048 1.00 0.00 C ATOM 0 H MET A 75 -5.365 -10.308 -0.081 1.00 0.00 H new ATOM 0 HA MET A 75 -5.615 -10.969 2.749 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.929 -12.575 0.793 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.690 -12.604 2.529 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.551 -13.875 2.916 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.468 -13.137 1.617 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.394 -17.116 1.553 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.767 -15.807 2.583 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.456 -16.343 2.754 1.00 0.00 H new ATOM 1166 N LEU A 76 -3.343 -9.661 0.792 1.00 0.00 N ATOM 1167 CA LEU A 76 -2.239 -8.714 0.701 1.00 0.00 C ATOM 1168 C LEU A 76 -2.485 -7.477 1.565 1.00 0.00 C ATOM 1169 O LEU A 76 -3.427 -6.724 1.323 1.00 0.00 O ATOM 1170 CB LEU A 76 -2.058 -8.290 -0.757 1.00 0.00 C ATOM 1171 CG LEU A 76 -0.625 -8.313 -1.285 1.00 0.00 C ATOM 1172 CD1 LEU A 76 0.120 -7.088 -0.804 1.00 0.00 C ATOM 1173 CD2 LEU A 76 0.078 -9.590 -0.873 1.00 0.00 C ATOM 0 H LEU A 76 -3.680 -9.992 -0.112 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.338 -9.206 1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.666 -8.943 -1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.451 -7.280 -0.873 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.647 -8.292 -2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.141 -7.111 -1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.382 -6.191 -1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.139 -7.078 0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.097 -9.585 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.103 -9.657 0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.459 -10.448 -1.277 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.630 -7.238 2.573 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.765 -6.070 3.446 1.00 0.00 C ATOM 1187 C PRO A 77 -1.567 -4.769 2.678 1.00 0.00 C ATOM 1188 O PRO A 77 -0.637 -4.647 1.881 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.657 -6.256 4.484 1.00 0.00 C ATOM 1190 CG PRO A 77 0.328 -7.173 3.843 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.466 -8.067 2.933 1.00 0.00 C ATOM 0 HA PRO A 77 -2.759 -6.001 3.889 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.197 -5.303 4.744 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.050 -6.683 5.407 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.076 -6.612 3.283 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.863 -7.756 4.593 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.108 -8.357 2.053 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.767 -8.987 3.435 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.449 -3.804 2.913 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.366 -2.520 2.230 1.00 0.00 C ATOM 1201 C VAL A 78 -2.249 -1.370 3.226 1.00 0.00 C ATOM 1202 O VAL A 78 -2.851 -1.399 4.300 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.592 -2.277 1.329 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.332 -1.122 0.374 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -3.955 -3.537 0.558 1.00 0.00 C ATOM 0 H VAL A 78 -3.226 -3.886 3.568 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.470 -2.555 1.610 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.436 -2.014 1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.209 -0.965 -0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.128 -0.216 0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.473 -1.356 -0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.823 -3.341 -0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.114 -3.836 -0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.188 -4.338 1.259 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.469 -0.357 2.863 1.00 0.00 N ATOM 1216 CA ILE A 79 -1.272 0.804 3.724 1.00 0.00 C ATOM 1217 C ILE A 79 -1.640 2.088 2.997 1.00 0.00 C ATOM 1218 O ILE A 79 -0.961 2.503 2.058 1.00 0.00 O ATOM 1219 CB ILE A 79 0.183 0.897 4.215 1.00 0.00 C ATOM 1220 CG1 ILE A 79 0.667 -0.472 4.692 1.00 0.00 C ATOM 1221 CG2 ILE A 79 0.309 1.926 5.326 1.00 0.00 C ATOM 1222 CD1 ILE A 79 1.888 -0.963 3.955 1.00 0.00 C ATOM 0 H ILE A 79 -0.963 -0.316 1.978 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.927 0.679 4.586 1.00 0.00 H new ATOM 0 HB ILE A 79 0.810 1.217 3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.891 -0.420 5.757 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.138 -1.197 4.571 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.346 1.976 5.659 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.001 2.903 4.954 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.328 1.638 6.163 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.179 -1.939 4.343 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.662 -1.047 2.892 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.707 -0.258 4.097 1.00 0.00 H new ATOM 1234 N ILE A 80 -2.729 2.702 3.432 1.00 0.00 N ATOM 1235 CA ILE A 80 -3.208 3.931 2.818 1.00 0.00 C ATOM 1236 C ILE A 80 -2.783 5.162 3.618 1.00 0.00 C ATOM 1237 O ILE A 80 -2.641 5.105 4.839 1.00 0.00 O ATOM 1238 CB ILE A 80 -4.741 3.912 2.672 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -5.223 2.509 2.276 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -5.188 4.944 1.647 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.538 1.952 1.047 1.00 0.00 C ATOM 0 H ILE A 80 -3.299 2.369 4.209 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.756 3.991 1.828 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.186 4.168 3.633 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.058 1.829 3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.298 2.541 2.098 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.274 4.919 1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.874 5.937 1.970 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.737 4.717 0.681 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.931 0.959 0.830 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.724 2.609 0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.465 1.886 1.227 1.00 0.00 H new ATOM 1253 N MET A 81 -2.565 6.267 2.909 1.00 0.00 N ATOM 1254 CA MET A 81 -2.136 7.521 3.534 1.00 0.00 C ATOM 1255 C MET A 81 -3.288 8.238 4.254 1.00 0.00 C ATOM 1256 O MET A 81 -3.225 8.489 5.454 1.00 0.00 O ATOM 1257 CB MET A 81 -1.541 8.446 2.465 1.00 0.00 C ATOM 1258 CG MET A 81 -1.245 9.853 2.961 1.00 0.00 C ATOM 1259 SD MET A 81 -0.540 10.912 1.682 1.00 0.00 S ATOM 1260 CE MET A 81 -1.928 11.076 0.560 1.00 0.00 C ATOM 0 H MET A 81 -2.678 6.322 1.897 1.00 0.00 H new ATOM 0 HA MET A 81 -1.385 7.275 4.285 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.619 8.003 2.088 1.00 0.00 H new ATOM 0 HB3 MET A 81 -2.233 8.506 1.625 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.165 10.303 3.332 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.554 9.799 3.803 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.752 11.912 -0.117 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.040 10.158 -0.017 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.838 11.258 1.131 1.00 0.00 H new ATOM 1270 N THR A 82 -4.316 8.589 3.496 1.00 0.00 N ATOM 1271 CA THR A 82 -5.479 9.309 4.028 1.00 0.00 C ATOM 1272 C THR A 82 -6.724 8.410 4.063 1.00 0.00 C ATOM 1273 O THR A 82 -6.851 7.481 3.268 1.00 0.00 O ATOM 1274 CB THR A 82 -5.720 10.567 3.173 1.00 0.00 C ATOM 1275 OG1 THR A 82 -4.657 11.486 3.334 1.00 0.00 O ATOM 1276 CG2 THR A 82 -7.001 11.313 3.479 1.00 0.00 C ATOM 0 H THR A 82 -4.374 8.387 2.498 1.00 0.00 H new ATOM 0 HA THR A 82 -5.278 9.607 5.057 1.00 0.00 H new ATOM 0 HB THR A 82 -5.792 10.186 2.154 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.824 12.279 2.783 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.081 12.182 2.826 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.854 10.655 3.313 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.992 11.640 4.519 1.00 0.00 H new ATOM 1284 N ALA A 83 -7.631 8.687 5.002 1.00 0.00 N ATOM 1285 CA ALA A 83 -8.855 7.892 5.145 1.00 0.00 C ATOM 1286 C ALA A 83 -10.095 8.769 5.359 1.00 0.00 C ATOM 1287 O ALA A 83 -11.212 8.264 5.440 1.00 0.00 O ATOM 1288 CB ALA A 83 -8.710 6.923 6.308 1.00 0.00 C ATOM 0 H ALA A 83 -7.543 9.451 5.672 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.995 7.342 4.214 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.623 6.336 6.408 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.868 6.256 6.123 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.535 7.482 7.227 1.00 0.00 H new ATOM 1294 N HIS A 84 -9.895 10.075 5.461 1.00 0.00 N ATOM 1295 CA HIS A 84 -10.991 11.016 5.688 1.00 0.00 C ATOM 1296 C HIS A 84 -11.887 11.180 4.454 1.00 0.00 C ATOM 1297 O HIS A 84 -12.396 12.271 4.197 1.00 0.00 O ATOM 1298 CB HIS A 84 -10.433 12.385 6.105 1.00 0.00 C ATOM 1299 CG HIS A 84 -9.175 12.306 6.924 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -7.929 11.878 6.601 1.00 0.00 N flip ATOM 1301 CD2 HIS A 84 -9.113 12.682 8.249 1.00 0.00 C flip ATOM 1302 CE1 HIS A 84 -7.153 12.000 7.722 1.00 0.00 C flip ATOM 1303 NE2 HIS A 84 -7.888 12.485 8.702 1.00 0.00 N flip ATOM 0 H HIS A 84 -8.977 10.513 5.390 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.606 10.604 6.488 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.235 12.974 5.209 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.194 12.918 6.676 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.937 13.076 8.826 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -6.107 11.741 7.792 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -7.565 12.676 9.651 1.00 0.00 H new ATOM 1312 N SER A 85 -12.093 10.103 3.697 1.00 0.00 N ATOM 1313 CA SER A 85 -12.940 10.163 2.512 1.00 0.00 C ATOM 1314 C SER A 85 -13.423 8.772 2.108 1.00 0.00 C ATOM 1315 O SER A 85 -12.677 7.997 1.507 1.00 0.00 O ATOM 1316 CB SER A 85 -12.188 10.815 1.349 1.00 0.00 C ATOM 1317 OG SER A 85 -11.021 10.084 1.016 1.00 0.00 O ATOM 0 H SER A 85 -11.687 9.186 3.883 1.00 0.00 H new ATOM 0 HA SER A 85 -13.812 10.770 2.756 1.00 0.00 H new ATOM 0 HB2 SER A 85 -12.842 10.876 0.479 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.916 11.836 1.616 1.00 0.00 H new ATOM 0 HG SER A 85 -11.242 9.133 0.937 1.00 0.00 H new ATOM 1323 N ASP A 86 -14.673 8.466 2.437 1.00 0.00 N ATOM 1324 CA ASP A 86 -15.258 7.170 2.104 1.00 0.00 C ATOM 1325 C ASP A 86 -14.589 6.051 2.896 1.00 0.00 C ATOM 1326 O ASP A 86 -14.422 4.940 2.395 1.00 0.00 O ATOM 1327 CB ASP A 86 -15.132 6.901 0.600 1.00 0.00 C ATOM 1328 CG ASP A 86 -16.314 6.129 0.049 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -17.348 6.762 -0.253 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -16.206 4.892 -0.082 1.00 0.00 O ATOM 0 H ASP A 86 -15.302 9.097 2.934 1.00 0.00 H new ATOM 0 HA ASP A 86 -16.314 7.195 2.372 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.043 7.850 0.070 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.216 6.342 0.409 1.00 0.00 H new ATOM 1335 N LEU A 87 -14.216 6.354 4.137 1.00 0.00 N ATOM 1336 CA LEU A 87 -13.560 5.384 5.019 1.00 0.00 C ATOM 1337 C LEU A 87 -14.268 4.028 5.010 1.00 0.00 C ATOM 1338 O LEU A 87 -13.671 3.008 5.349 1.00 0.00 O ATOM 1339 CB LEU A 87 -13.499 5.931 6.452 1.00 0.00 C ATOM 1340 CG LEU A 87 -12.106 5.943 7.089 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -12.148 6.602 8.458 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -11.557 4.532 7.194 1.00 0.00 C ATOM 0 H LEU A 87 -14.357 7.271 4.560 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.549 5.231 4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.889 6.949 6.452 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.162 5.335 7.079 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.442 6.525 6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.149 6.600 8.893 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.498 7.629 8.357 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.827 6.050 9.107 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.567 4.560 7.649 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.223 3.928 7.810 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.487 4.094 6.198 1.00 0.00 H new ATOM 1354 N ASP A 88 -15.543 4.023 4.637 1.00 0.00 N ATOM 1355 CA ASP A 88 -16.330 2.792 4.598 1.00 0.00 C ATOM 1356 C ASP A 88 -15.589 1.664 3.881 1.00 0.00 C ATOM 1357 O ASP A 88 -15.485 0.552 4.400 1.00 0.00 O ATOM 1358 CB ASP A 88 -17.674 3.047 3.910 1.00 0.00 C ATOM 1359 CG ASP A 88 -18.625 3.847 4.776 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -18.176 4.834 5.398 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -19.820 3.487 4.835 1.00 0.00 O ATOM 0 H ASP A 88 -16.056 4.859 4.356 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.498 2.479 5.629 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -17.504 3.579 2.974 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -18.135 2.093 3.655 1.00 0.00 H new ATOM 1366 N ALA A 89 -15.080 1.948 2.684 1.00 0.00 N ATOM 1367 CA ALA A 89 -14.360 0.944 1.906 1.00 0.00 C ATOM 1368 C ALA A 89 -13.124 0.441 2.643 1.00 0.00 C ATOM 1369 O ALA A 89 -12.621 -0.645 2.356 1.00 0.00 O ATOM 1370 CB ALA A 89 -13.974 1.497 0.543 1.00 0.00 C ATOM 0 H ALA A 89 -15.152 2.861 2.234 1.00 0.00 H new ATOM 0 HA ALA A 89 -15.031 0.097 1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.438 0.733 -0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.874 1.786 -0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.333 2.369 0.672 1.00 0.00 H new ATOM 1376 N ALA A 90 -12.643 1.228 3.596 1.00 0.00 N ATOM 1377 CA ALA A 90 -11.471 0.844 4.370 1.00 0.00 C ATOM 1378 C ALA A 90 -11.798 -0.310 5.304 1.00 0.00 C ATOM 1379 O ALA A 90 -10.956 -1.169 5.566 1.00 0.00 O ATOM 1380 CB ALA A 90 -10.950 2.025 5.168 1.00 0.00 C ATOM 0 H ALA A 90 -13.044 2.131 3.850 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.697 0.521 3.674 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.074 1.719 5.740 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.676 2.831 4.488 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.725 2.374 5.850 1.00 0.00 H new ATOM 1386 N VAL A 91 -13.027 -0.325 5.808 1.00 0.00 N ATOM 1387 CA VAL A 91 -13.454 -1.378 6.713 1.00 0.00 C ATOM 1388 C VAL A 91 -13.402 -2.742 6.041 1.00 0.00 C ATOM 1389 O VAL A 91 -12.827 -3.685 6.583 1.00 0.00 O ATOM 1390 CB VAL A 91 -14.869 -1.139 7.263 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -15.114 -2.040 8.463 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -15.060 0.325 7.638 1.00 0.00 C ATOM 0 H VAL A 91 -13.739 0.377 5.605 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.754 -1.359 7.548 1.00 0.00 H new ATOM 0 HB VAL A 91 -15.595 -1.383 6.487 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -16.118 -1.867 8.849 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -15.016 -3.083 8.161 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -14.383 -1.817 9.240 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -16.068 0.473 8.025 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.334 0.603 8.402 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -14.915 0.948 6.756 1.00 0.00 H new ATOM 1402 N SER A 92 -13.986 -2.845 4.851 1.00 0.00 N ATOM 1403 CA SER A 92 -13.975 -4.106 4.119 1.00 0.00 C ATOM 1404 C SER A 92 -12.540 -4.538 3.845 1.00 0.00 C ATOM 1405 O SER A 92 -12.262 -5.716 3.633 1.00 0.00 O ATOM 1406 CB SER A 92 -14.743 -3.981 2.804 1.00 0.00 C ATOM 1407 OG SER A 92 -16.045 -3.468 3.023 1.00 0.00 O ATOM 0 H SER A 92 -14.467 -2.080 4.378 1.00 0.00 H new ATOM 0 HA SER A 92 -14.467 -4.861 4.732 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.200 -3.326 2.123 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.809 -4.957 2.323 1.00 0.00 H new ATOM 0 HG SER A 92 -16.516 -3.395 2.167 1.00 0.00 H new ATOM 1413 N ALA A 93 -11.630 -3.574 3.862 1.00 0.00 N ATOM 1414 CA ALA A 93 -10.228 -3.854 3.629 1.00 0.00 C ATOM 1415 C ALA A 93 -9.666 -4.724 4.742 1.00 0.00 C ATOM 1416 O ALA A 93 -9.055 -5.761 4.492 1.00 0.00 O ATOM 1417 CB ALA A 93 -9.453 -2.554 3.495 1.00 0.00 C ATOM 0 H ALA A 93 -11.842 -2.591 4.035 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.126 -4.407 2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.400 -2.775 3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.848 -1.980 2.657 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.555 -1.974 4.412 1.00 0.00 H new ATOM 1423 N TYR A 94 -9.894 -4.305 5.976 1.00 0.00 N ATOM 1424 CA TYR A 94 -9.424 -5.059 7.138 1.00 0.00 C ATOM 1425 C TYR A 94 -9.934 -6.495 7.072 1.00 0.00 C ATOM 1426 O TYR A 94 -9.337 -7.410 7.642 1.00 0.00 O ATOM 1427 CB TYR A 94 -9.887 -4.399 8.438 1.00 0.00 C ATOM 1428 CG TYR A 94 -9.767 -2.893 8.429 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -8.548 -2.277 8.170 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -10.871 -2.087 8.676 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -8.433 -0.900 8.157 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -10.763 -0.710 8.664 1.00 0.00 C ATOM 1433 CZ TYR A 94 -9.545 -0.122 8.404 1.00 0.00 C ATOM 1434 OH TYR A 94 -9.438 1.250 8.389 1.00 0.00 O ATOM 0 H TYR A 94 -10.400 -3.449 6.204 1.00 0.00 H new ATOM 0 HA TYR A 94 -8.334 -5.065 7.124 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -10.926 -4.671 8.624 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -9.301 -4.797 9.266 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.677 -2.885 7.976 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -11.828 -2.544 8.880 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.479 -0.436 7.955 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -11.631 -0.097 8.858 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.865 1.525 7.643 1.00 0.00 H new ATOM 1444 N GLN A 95 -11.038 -6.676 6.359 1.00 0.00 N ATOM 1445 CA GLN A 95 -11.644 -7.987 6.184 1.00 0.00 C ATOM 1446 C GLN A 95 -10.848 -8.798 5.165 1.00 0.00 C ATOM 1447 O GLN A 95 -10.781 -10.024 5.251 1.00 0.00 O ATOM 1448 CB GLN A 95 -13.110 -7.817 5.756 1.00 0.00 C ATOM 1449 CG GLN A 95 -13.677 -8.941 4.893 1.00 0.00 C ATOM 1450 CD GLN A 95 -14.433 -8.411 3.690 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -13.773 -7.573 2.899 1.00 0.00 O flip ATOM 1452 NE2 GLN A 95 -15.594 -8.754 3.472 1.00 0.00 N flip ATOM 0 H GLN A 95 -11.536 -5.921 5.888 1.00 0.00 H new ATOM 0 HA GLN A 95 -11.626 -8.535 7.126 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -13.724 -7.726 6.652 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.204 -6.879 5.208 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.864 -9.583 4.555 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -14.343 -9.559 5.495 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -16.063 -9.400 4.107 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -16.088 -8.392 2.656 1.00 0.00 H new ATOM 1461 N GLN A 96 -10.236 -8.108 4.205 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.440 -8.774 3.189 1.00 0.00 C ATOM 1463 C GLN A 96 -7.982 -8.876 3.620 1.00 0.00 C ATOM 1464 O GLN A 96 -7.231 -9.687 3.088 1.00 0.00 O ATOM 1465 CB GLN A 96 -9.536 -8.053 1.845 1.00 0.00 C ATOM 1466 CG GLN A 96 -8.947 -6.651 1.858 1.00 0.00 C ATOM 1467 CD GLN A 96 -8.079 -6.357 0.651 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -8.180 -7.024 -0.380 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -7.217 -5.353 0.776 1.00 0.00 N ATOM 0 H GLN A 96 -10.278 -7.093 4.113 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.843 -9.780 3.069 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.023 -8.646 1.088 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.583 -7.994 1.548 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.758 -5.924 1.900 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.355 -6.521 2.764 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.168 -4.828 1.649 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.604 -5.107 -0.001 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.588 -8.061 4.596 1.00 0.00 N ATOM 1479 CA GLY A 97 -6.218 -8.108 5.074 1.00 0.00 C ATOM 1480 C GLY A 97 -5.523 -6.757 5.093 1.00 0.00 C ATOM 1481 O GLY A 97 -4.303 -6.696 5.223 1.00 0.00 O ATOM 0 H GLY A 97 -8.186 -7.377 5.059 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.210 -8.523 6.082 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.647 -8.790 4.443 1.00 0.00 H new ATOM 1485 N ALA A 98 -6.285 -5.674 4.976 1.00 0.00 N ATOM 1486 CA ALA A 98 -5.699 -4.335 4.994 1.00 0.00 C ATOM 1487 C ALA A 98 -4.872 -4.124 6.255 1.00 0.00 C ATOM 1488 O ALA A 98 -5.217 -4.630 7.323 1.00 0.00 O ATOM 1489 CB ALA A 98 -6.784 -3.280 4.895 1.00 0.00 C ATOM 0 H ALA A 98 -7.299 -5.694 4.869 1.00 0.00 H new ATOM 0 HA ALA A 98 -5.040 -4.241 4.131 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.330 -2.289 4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.336 -3.412 3.965 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.466 -3.379 5.739 1.00 0.00 H new ATOM 1495 N PHE A 99 -3.776 -3.385 6.130 1.00 0.00 N ATOM 1496 CA PHE A 99 -2.916 -3.134 7.271 1.00 0.00 C ATOM 1497 C PHE A 99 -3.494 -2.052 8.173 1.00 0.00 C ATOM 1498 O PHE A 99 -3.677 -2.268 9.371 1.00 0.00 O ATOM 1499 CB PHE A 99 -1.517 -2.724 6.811 1.00 0.00 C ATOM 1500 CG PHE A 99 -0.480 -2.900 7.879 1.00 0.00 C ATOM 1501 CD1 PHE A 99 -0.251 -4.148 8.434 1.00 0.00 C ATOM 1502 CD2 PHE A 99 0.257 -1.821 8.334 1.00 0.00 C ATOM 1503 CE1 PHE A 99 0.694 -4.315 9.425 1.00 0.00 C ATOM 1504 CE2 PHE A 99 1.205 -1.982 9.324 1.00 0.00 C ATOM 1505 CZ PHE A 99 1.425 -3.231 9.872 1.00 0.00 C ATOM 0 H PHE A 99 -3.467 -2.955 5.258 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.850 -4.061 7.841 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.238 -3.316 5.939 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.534 -1.681 6.496 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.818 -4.999 8.087 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.089 -0.842 7.910 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.862 -5.293 9.851 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.775 -1.132 9.670 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.166 -3.360 10.647 1.00 0.00 H new ATOM 1515 N ASP A 100 -3.788 -0.887 7.589 1.00 0.00 N ATOM 1516 CA ASP A 100 -4.350 0.232 8.348 1.00 0.00 C ATOM 1517 C ASP A 100 -4.451 1.500 7.490 1.00 0.00 C ATOM 1518 O ASP A 100 -4.344 1.448 6.263 1.00 0.00 O ATOM 1519 CB ASP A 100 -3.496 0.513 9.593 1.00 0.00 C ATOM 1520 CG ASP A 100 -2.157 1.130 9.242 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -1.496 0.610 8.321 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -1.772 2.130 9.884 1.00 0.00 O ATOM 0 H ASP A 100 -3.647 -0.695 6.597 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.357 -0.050 8.655 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.039 1.183 10.260 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -3.334 -0.417 10.138 1.00 0.00 H new ATOM 1527 N TYR A 101 -4.657 2.634 8.160 1.00 0.00 N ATOM 1528 CA TYR A 101 -4.781 3.931 7.494 1.00 0.00 C ATOM 1529 C TYR A 101 -4.031 5.001 8.285 1.00 0.00 C ATOM 1530 O TYR A 101 -3.852 4.874 9.496 1.00 0.00 O ATOM 1531 CB TYR A 101 -6.254 4.326 7.366 1.00 0.00 C ATOM 1532 CG TYR A 101 -6.879 3.971 6.033 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -7.338 2.685 5.781 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -7.027 4.928 5.034 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -7.926 2.363 4.572 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -7.613 4.612 3.823 1.00 0.00 C ATOM 1537 CZ TYR A 101 -8.062 3.330 3.597 1.00 0.00 C ATOM 1538 OH TYR A 101 -8.656 3.013 2.395 1.00 0.00 O ATOM 0 H TYR A 101 -4.742 2.680 9.175 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.348 3.850 6.497 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.819 3.839 8.161 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -6.345 5.401 7.522 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -7.234 1.925 6.541 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.678 5.935 5.208 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.278 1.358 4.391 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.718 5.367 3.058 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.173 3.454 1.665 1.00 0.00 H new ATOM 1548 N LEU A 102 -3.590 6.053 7.602 1.00 0.00 N ATOM 1549 CA LEU A 102 -2.859 7.133 8.262 1.00 0.00 C ATOM 1550 C LEU A 102 -3.751 8.357 8.477 1.00 0.00 C ATOM 1551 O LEU A 102 -4.379 8.848 7.540 1.00 0.00 O ATOM 1552 CB LEU A 102 -1.637 7.527 7.432 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.312 6.930 7.897 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -0.410 5.426 8.018 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.790 7.299 6.932 1.00 0.00 C ATOM 0 H LEU A 102 -3.724 6.182 6.599 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.535 6.769 9.237 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.809 7.227 6.398 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.549 8.613 7.438 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.080 7.339 8.880 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.547 5.025 8.351 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.183 5.169 8.742 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.665 4.999 7.048 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.731 6.868 7.273 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.551 6.912 5.942 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.884 8.384 6.884 1.00 0.00 H new ATOM 1567 N PRO A 103 -3.820 8.878 9.719 1.00 0.00 N ATOM 1568 CA PRO A 103 -4.636 10.049 10.021 1.00 0.00 C ATOM 1569 C PRO A 103 -3.972 11.348 9.571 1.00 0.00 C ATOM 1570 O PRO A 103 -4.376 11.950 8.576 1.00 0.00 O ATOM 1571 CB PRO A 103 -4.784 10.006 11.544 1.00 0.00 C ATOM 1572 CG PRO A 103 -3.620 9.216 12.048 1.00 0.00 C ATOM 1573 CD PRO A 103 -3.108 8.370 10.906 1.00 0.00 C ATOM 0 HA PRO A 103 -5.591 10.028 9.496 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.785 11.012 11.965 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.726 9.540 11.832 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -2.836 9.880 12.413 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -3.920 8.586 12.886 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.028 8.468 10.793 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.316 7.313 11.071 1.00 0.00 H new ATOM 1581 N LYS A 104 -2.957 11.778 10.311 1.00 0.00 N ATOM 1582 CA LYS A 104 -2.245 13.009 9.990 1.00 0.00 C ATOM 1583 C LYS A 104 -0.845 12.735 9.432 1.00 0.00 C ATOM 1584 O LYS A 104 -0.515 13.194 8.338 1.00 0.00 O ATOM 1585 CB LYS A 104 -2.156 13.907 11.223 1.00 0.00 C ATOM 1586 CG LYS A 104 -3.345 14.845 11.365 1.00 0.00 C ATOM 1587 CD LYS A 104 -3.924 14.815 12.771 1.00 0.00 C ATOM 1588 CE LYS A 104 -3.274 15.857 13.667 1.00 0.00 C ATOM 1589 NZ LYS A 104 -4.243 16.903 14.093 1.00 0.00 N ATOM 0 H LYS A 104 -2.608 11.292 11.138 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.813 13.520 9.212 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.084 13.284 12.114 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.240 14.496 11.171 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.037 15.862 11.120 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.117 14.565 10.648 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.999 14.992 12.726 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.782 13.824 13.202 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.856 15.369 14.547 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.444 16.325 13.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -3.762 17.595 14.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -4.623 17.386 13.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.022 16.460 14.621 1.00 0.00 H new ATOM 1603 N PRO A 105 0.009 11.992 10.164 1.00 0.00 N ATOM 1604 CA PRO A 105 1.370 11.695 9.703 1.00 0.00 C ATOM 1605 C PRO A 105 1.391 10.842 8.437 1.00 0.00 C ATOM 1606 O PRO A 105 0.412 10.172 8.106 1.00 0.00 O ATOM 1607 CB PRO A 105 2.001 10.941 10.878 1.00 0.00 C ATOM 1608 CG PRO A 105 0.849 10.399 11.649 1.00 0.00 C ATOM 1609 CD PRO A 105 -0.264 11.397 11.487 1.00 0.00 C ATOM 0 HA PRO A 105 1.908 12.604 9.433 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.654 10.141 10.529 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.610 11.605 11.492 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.553 9.420 11.272 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.108 10.271 12.700 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.243 10.918 11.519 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -0.250 12.148 12.277 1.00 0.00 H new ATOM 1617 N PHE A 106 2.524 10.878 7.739 1.00 0.00 N ATOM 1618 CA PHE A 106 2.705 10.121 6.505 1.00 0.00 C ATOM 1619 C PHE A 106 4.191 10.086 6.121 1.00 0.00 C ATOM 1620 O PHE A 106 4.970 9.386 6.760 1.00 0.00 O ATOM 1621 CB PHE A 106 1.849 10.716 5.373 1.00 0.00 C ATOM 1622 CG PHE A 106 2.014 10.019 4.047 1.00 0.00 C ATOM 1623 CD1 PHE A 106 1.721 8.672 3.915 1.00 0.00 C ATOM 1624 CD2 PHE A 106 2.463 10.711 2.933 1.00 0.00 C ATOM 1625 CE1 PHE A 106 1.871 8.027 2.705 1.00 0.00 C ATOM 1626 CE2 PHE A 106 2.617 10.071 1.718 1.00 0.00 C ATOM 1627 CZ PHE A 106 2.321 8.727 1.604 1.00 0.00 C ATOM 0 H PHE A 106 3.337 11.430 8.012 1.00 0.00 H new ATOM 0 HA PHE A 106 2.371 9.096 6.667 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.800 10.675 5.665 1.00 0.00 H new ATOM 0 HB3 PHE A 106 2.105 11.769 5.253 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.370 8.118 4.773 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.695 11.763 3.016 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.637 6.976 2.619 1.00 0.00 H new ATOM 0 HE2 PHE A 106 2.969 10.622 0.858 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.441 8.225 0.655 1.00 0.00 H new ATOM 1637 N ASP A 107 4.587 10.840 5.090 1.00 0.00 N ATOM 1638 CA ASP A 107 5.985 10.876 4.641 1.00 0.00 C ATOM 1639 C ASP A 107 6.599 9.474 4.612 1.00 0.00 C ATOM 1640 O ASP A 107 5.954 8.498 4.975 1.00 0.00 O ATOM 1641 CB ASP A 107 6.815 11.800 5.534 1.00 0.00 C ATOM 1642 CG ASP A 107 6.783 11.385 6.991 1.00 0.00 C ATOM 1643 OD1 ASP A 107 7.392 10.350 7.326 1.00 0.00 O ATOM 1644 OD2 ASP A 107 6.146 12.095 7.797 1.00 0.00 O ATOM 0 H ASP A 107 3.959 11.435 4.549 1.00 0.00 H new ATOM 0 HA ASP A 107 5.995 11.269 3.624 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.847 11.806 5.184 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.441 12.820 5.442 1.00 0.00 H new ATOM 1649 N ILE A 108 7.848 9.369 4.172 1.00 0.00 N ATOM 1650 CA ILE A 108 8.506 8.069 4.104 1.00 0.00 C ATOM 1651 C ILE A 108 8.765 7.504 5.494 1.00 0.00 C ATOM 1652 O ILE A 108 8.562 6.318 5.743 1.00 0.00 O ATOM 1653 CB ILE A 108 9.812 8.125 3.269 1.00 0.00 C ATOM 1654 CG1 ILE A 108 9.637 7.310 1.992 1.00 0.00 C ATOM 1655 CG2 ILE A 108 11.013 7.609 4.047 1.00 0.00 C ATOM 1656 CD1 ILE A 108 8.453 7.737 1.152 1.00 0.00 C ATOM 0 H ILE A 108 8.418 10.155 3.861 1.00 0.00 H new ATOM 0 HA ILE A 108 7.823 7.392 3.591 1.00 0.00 H new ATOM 0 HB ILE A 108 10.004 9.170 3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.544 7.392 1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.523 6.259 2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.904 7.668 3.422 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.156 8.217 4.941 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.841 6.572 4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.394 7.111 0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.537 7.628 1.733 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.574 8.779 0.856 1.00 0.00 H new ATOM 1668 N ASP A 109 9.210 8.360 6.392 1.00 0.00 N ATOM 1669 CA ASP A 109 9.502 7.947 7.762 1.00 0.00 C ATOM 1670 C ASP A 109 8.346 7.143 8.365 1.00 0.00 C ATOM 1671 O ASP A 109 8.537 6.002 8.779 1.00 0.00 O ATOM 1672 CB ASP A 109 9.802 9.170 8.634 1.00 0.00 C ATOM 1673 CG ASP A 109 11.229 9.655 8.470 1.00 0.00 C ATOM 1674 OD1 ASP A 109 12.143 9.008 9.024 1.00 0.00 O ATOM 1675 OD2 ASP A 109 11.434 10.681 7.787 1.00 0.00 O ATOM 0 H ASP A 109 9.379 9.348 6.203 1.00 0.00 H new ATOM 0 HA ASP A 109 10.381 7.303 7.733 1.00 0.00 H new ATOM 0 HB2 ASP A 109 9.115 9.975 8.376 1.00 0.00 H new ATOM 0 HB3 ASP A 109 9.623 8.921 9.680 1.00 0.00 H new ATOM 1680 N GLU A 110 7.156 7.735 8.418 1.00 0.00 N ATOM 1681 CA GLU A 110 5.996 7.053 8.981 1.00 0.00 C ATOM 1682 C GLU A 110 5.455 5.989 8.032 1.00 0.00 C ATOM 1683 O GLU A 110 4.994 4.934 8.469 1.00 0.00 O ATOM 1684 CB GLU A 110 4.888 8.052 9.345 1.00 0.00 C ATOM 1685 CG GLU A 110 5.255 8.976 10.494 1.00 0.00 C ATOM 1686 CD GLU A 110 4.684 8.510 11.819 1.00 0.00 C ATOM 1687 OE1 GLU A 110 4.481 7.288 11.981 1.00 0.00 O ATOM 1688 OE2 GLU A 110 4.439 9.366 12.695 1.00 0.00 O ATOM 0 H GLU A 110 6.971 8.679 8.080 1.00 0.00 H new ATOM 0 HA GLU A 110 6.328 6.556 9.893 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.650 8.654 8.468 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.985 7.501 9.607 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.340 9.040 10.572 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.891 9.981 10.278 1.00 0.00 H new ATOM 1695 N ALA A 111 5.518 6.263 6.737 1.00 0.00 N ATOM 1696 CA ALA A 111 5.036 5.315 5.743 1.00 0.00 C ATOM 1697 C ALA A 111 5.890 4.051 5.745 1.00 0.00 C ATOM 1698 O ALA A 111 5.375 2.948 5.926 1.00 0.00 O ATOM 1699 CB ALA A 111 5.009 5.950 4.361 1.00 0.00 C ATOM 0 H ALA A 111 5.896 7.129 6.352 1.00 0.00 H new ATOM 0 HA ALA A 111 4.016 5.035 6.005 1.00 0.00 H new ATOM 0 HB1 ALA A 111 4.646 5.224 3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.347 6.816 4.371 1.00 0.00 H new ATOM 0 HB3 ALA A 111 6.015 6.266 4.086 1.00 0.00 H new ATOM 1705 N VAL A 112 7.197 4.215 5.555 1.00 0.00 N ATOM 1706 CA VAL A 112 8.108 3.075 5.552 1.00 0.00 C ATOM 1707 C VAL A 112 8.093 2.375 6.902 1.00 0.00 C ATOM 1708 O VAL A 112 8.226 1.153 6.992 1.00 0.00 O ATOM 1709 CB VAL A 112 9.552 3.484 5.209 1.00 0.00 C ATOM 1710 CG1 VAL A 112 10.449 2.255 5.169 1.00 0.00 C ATOM 1711 CG2 VAL A 112 9.584 4.224 3.880 1.00 0.00 C ATOM 0 H VAL A 112 7.645 5.118 5.402 1.00 0.00 H new ATOM 0 HA VAL A 112 7.755 2.394 4.778 1.00 0.00 H new ATOM 0 HB VAL A 112 9.926 4.154 5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.468 2.556 4.925 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.438 1.765 6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.084 1.563 4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.610 4.509 3.647 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.200 3.575 3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.965 5.119 3.947 1.00 0.00 H new ATOM 1721 N ALA A 113 7.918 3.160 7.944 1.00 0.00 N ATOM 1722 CA ALA A 113 7.863 2.640 9.297 1.00 0.00 C ATOM 1723 C ALA A 113 6.688 1.687 9.452 1.00 0.00 C ATOM 1724 O ALA A 113 6.811 0.601 10.017 1.00 0.00 O ATOM 1725 CB ALA A 113 7.721 3.791 10.271 1.00 0.00 C ATOM 0 H ALA A 113 7.810 4.172 7.880 1.00 0.00 H new ATOM 0 HA ALA A 113 8.783 2.094 9.505 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.679 3.403 11.289 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.576 4.459 10.172 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.805 4.340 10.054 1.00 0.00 H new ATOM 1731 N LEU A 114 5.543 2.128 8.951 1.00 0.00 N ATOM 1732 CA LEU A 114 4.313 1.362 9.022 1.00 0.00 C ATOM 1733 C LEU A 114 4.310 0.198 8.031 1.00 0.00 C ATOM 1734 O LEU A 114 3.597 -0.785 8.226 1.00 0.00 O ATOM 1735 CB LEU A 114 3.132 2.302 8.765 1.00 0.00 C ATOM 1736 CG LEU A 114 1.736 1.677 8.821 1.00 0.00 C ATOM 1737 CD1 LEU A 114 1.353 1.308 10.246 1.00 0.00 C ATOM 1738 CD2 LEU A 114 0.719 2.648 8.252 1.00 0.00 C ATOM 0 H LEU A 114 5.444 3.029 8.484 1.00 0.00 H new ATOM 0 HA LEU A 114 4.227 0.924 10.017 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.174 3.110 9.496 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.264 2.754 7.782 1.00 0.00 H new ATOM 0 HG LEU A 114 1.748 0.764 8.226 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.356 0.867 10.252 1.00 0.00 H new ATOM 0 HD12 LEU A 114 2.071 0.589 10.641 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.357 2.204 10.867 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.274 2.200 8.293 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.727 3.568 8.837 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.972 2.875 7.216 1.00 0.00 H new ATOM 1750 N VAL A 115 5.107 0.307 6.968 1.00 0.00 N ATOM 1751 CA VAL A 115 5.167 -0.758 5.966 1.00 0.00 C ATOM 1752 C VAL A 115 6.051 -1.917 6.429 1.00 0.00 C ATOM 1753 O VAL A 115 5.700 -3.084 6.258 1.00 0.00 O ATOM 1754 CB VAL A 115 5.639 -0.252 4.579 1.00 0.00 C ATOM 1755 CG1 VAL A 115 7.132 0.029 4.555 1.00 0.00 C ATOM 1756 CG2 VAL A 115 5.281 -1.251 3.490 1.00 0.00 C ATOM 0 H VAL A 115 5.711 1.107 6.780 1.00 0.00 H new ATOM 0 HA VAL A 115 4.144 -1.118 5.854 1.00 0.00 H new ATOM 0 HB VAL A 115 5.119 0.686 4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.420 0.381 3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.370 0.793 5.295 1.00 0.00 H new ATOM 0 HG13 VAL A 115 7.678 -0.885 4.788 1.00 0.00 H new ATOM 0 HG21 VAL A 115 5.622 -0.875 2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 115 5.764 -2.206 3.699 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.200 -1.389 3.464 1.00 0.00 H new ATOM 1766 N GLU A 116 7.200 -1.584 7.011 1.00 0.00 N ATOM 1767 CA GLU A 116 8.139 -2.593 7.493 1.00 0.00 C ATOM 1768 C GLU A 116 7.516 -3.437 8.599 1.00 0.00 C ATOM 1769 O GLU A 116 7.595 -4.664 8.573 1.00 0.00 O ATOM 1770 CB GLU A 116 9.417 -1.922 8.001 1.00 0.00 C ATOM 1771 CG GLU A 116 10.250 -1.294 6.895 1.00 0.00 C ATOM 1772 CD GLU A 116 11.728 -1.269 7.225 1.00 0.00 C ATOM 1773 OE1 GLU A 116 12.285 -2.339 7.541 1.00 0.00 O ATOM 1774 OE2 GLU A 116 12.331 -0.175 7.165 1.00 0.00 O ATOM 0 H GLU A 116 7.504 -0.622 7.160 1.00 0.00 H new ATOM 0 HA GLU A 116 8.387 -3.252 6.661 1.00 0.00 H new ATOM 0 HB2 GLU A 116 9.151 -1.153 8.727 1.00 0.00 H new ATOM 0 HB3 GLU A 116 10.022 -2.661 8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.097 -1.849 5.970 1.00 0.00 H new ATOM 0 HG3 GLU A 116 9.903 -0.276 6.717 1.00 0.00 H new ATOM 1781 N ARG A 117 6.893 -2.772 9.561 1.00 0.00 N ATOM 1782 CA ARG A 117 6.248 -3.463 10.668 1.00 0.00 C ATOM 1783 C ARG A 117 5.155 -4.398 10.158 1.00 0.00 C ATOM 1784 O ARG A 117 4.787 -5.366 10.823 1.00 0.00 O ATOM 1785 CB ARG A 117 5.670 -2.453 11.660 1.00 0.00 C ATOM 1786 CG ARG A 117 4.600 -1.553 11.063 1.00 0.00 C ATOM 1787 CD ARG A 117 4.131 -0.516 12.070 1.00 0.00 C ATOM 1788 NE ARG A 117 5.213 0.376 12.482 1.00 0.00 N ATOM 1789 CZ ARG A 117 5.129 1.707 12.477 1.00 0.00 C ATOM 1790 NH1 ARG A 117 4.008 2.316 12.104 1.00 0.00 N ATOM 1791 NH2 ARG A 117 6.171 2.435 12.855 1.00 0.00 N ATOM 0 H ARG A 117 6.820 -1.755 9.597 1.00 0.00 H new ATOM 0 HA ARG A 117 6.998 -4.065 11.182 1.00 0.00 H new ATOM 0 HB2 ARG A 117 5.247 -2.991 12.508 1.00 0.00 H new ATOM 0 HB3 ARG A 117 6.479 -1.833 12.047 1.00 0.00 H new ATOM 0 HG2 ARG A 117 4.994 -1.053 10.178 1.00 0.00 H new ATOM 0 HG3 ARG A 117 3.753 -2.157 10.737 1.00 0.00 H new ATOM 0 HD2 ARG A 117 3.322 0.072 11.635 1.00 0.00 H new ATOM 0 HD3 ARG A 117 3.723 -1.020 12.946 1.00 0.00 H new ATOM 0 HE ARG A 117 6.088 -0.046 12.793 1.00 0.00 H new ATOM 0 HH11 ARG A 117 3.199 1.765 11.817 1.00 0.00 H new ATOM 0 HH12 ARG A 117 3.957 3.335 12.105 1.00 0.00 H new ATOM 0 HH21 ARG A 117 7.034 1.977 13.148 1.00 0.00 H new ATOM 0 HH22 ARG A 117 6.110 3.453 12.852 1.00 0.00 H new ATOM 1805 N ALA A 118 4.642 -4.097 8.970 1.00 0.00 N ATOM 1806 CA ALA A 118 3.593 -4.902 8.362 1.00 0.00 C ATOM 1807 C ALA A 118 4.150 -6.214 7.824 1.00 0.00 C ATOM 1808 O ALA A 118 3.600 -7.283 8.082 1.00 0.00 O ATOM 1809 CB ALA A 118 2.903 -4.121 7.252 1.00 0.00 C ATOM 0 H ALA A 118 4.938 -3.298 8.409 1.00 0.00 H new ATOM 0 HA ALA A 118 2.859 -5.139 9.132 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.121 -4.736 6.807 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.461 -3.215 7.666 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.633 -3.853 6.488 1.00 0.00 H new ATOM 1815 N ILE A 119 5.246 -6.128 7.082 1.00 0.00 N ATOM 1816 CA ILE A 119 5.875 -7.310 6.518 1.00 0.00 C ATOM 1817 C ILE A 119 6.492 -8.166 7.613 1.00 0.00 C ATOM 1818 O ILE A 119 6.537 -9.392 7.514 1.00 0.00 O ATOM 1819 CB ILE A 119 6.978 -6.936 5.510 1.00 0.00 C ATOM 1820 CG1 ILE A 119 6.489 -5.858 4.544 1.00 0.00 C ATOM 1821 CG2 ILE A 119 7.445 -8.161 4.745 1.00 0.00 C ATOM 1822 CD1 ILE A 119 7.559 -4.844 4.218 1.00 0.00 C ATOM 0 H ILE A 119 5.716 -5.251 6.858 1.00 0.00 H new ATOM 0 HA ILE A 119 5.094 -7.870 6.003 1.00 0.00 H new ATOM 0 HB ILE A 119 7.824 -6.536 6.069 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.147 -6.329 3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 119 5.630 -5.347 4.979 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.224 -7.874 4.039 1.00 0.00 H new ATOM 0 HG22 ILE A 119 7.842 -8.897 5.444 1.00 0.00 H new ATOM 0 HG23 ILE A 119 6.604 -8.593 4.202 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.158 -4.101 3.528 1.00 0.00 H new ATOM 0 HD12 ILE A 119 7.884 -4.351 5.134 1.00 0.00 H new ATOM 0 HD13 ILE A 119 8.408 -5.347 3.756 1.00 0.00 H new ATOM 1834 N SER A 120 6.967 -7.501 8.655 1.00 0.00 N ATOM 1835 CA SER A 120 7.593 -8.174 9.784 1.00 0.00 C ATOM 1836 C SER A 120 6.572 -8.975 10.585 1.00 0.00 C ATOM 1837 O SER A 120 6.744 -10.174 10.803 1.00 0.00 O ATOM 1838 CB SER A 120 8.284 -7.152 10.689 1.00 0.00 C ATOM 1839 OG SER A 120 8.965 -7.784 11.763 1.00 0.00 O ATOM 0 H SER A 120 6.930 -6.485 8.742 1.00 0.00 H new ATOM 0 HA SER A 120 8.336 -8.868 9.392 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.992 -6.565 10.103 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.544 -6.456 11.085 1.00 0.00 H new ATOM 0 HG SER A 120 9.397 -7.104 12.321 1.00 0.00 H new ATOM 1845 N HIS A 121 5.513 -8.305 11.027 1.00 0.00 N ATOM 1846 CA HIS A 121 4.472 -8.957 11.811 1.00 0.00 C ATOM 1847 C HIS A 121 3.831 -10.106 11.043 1.00 0.00 C ATOM 1848 O HIS A 121 3.303 -11.045 11.639 1.00 0.00 O ATOM 1849 CB HIS A 121 3.405 -7.943 12.223 1.00 0.00 C ATOM 1850 CG HIS A 121 3.731 -7.221 13.493 1.00 0.00 C ATOM 1851 ND1 HIS A 121 4.918 -6.548 13.692 1.00 0.00 N ATOM 1852 CD2 HIS A 121 3.019 -7.071 14.634 1.00 0.00 C ATOM 1853 CE1 HIS A 121 4.924 -6.016 14.901 1.00 0.00 C ATOM 1854 NE2 HIS A 121 3.783 -6.318 15.493 1.00 0.00 N ATOM 0 H HIS A 121 5.354 -7.312 10.856 1.00 0.00 H new ATOM 0 HA HIS A 121 4.940 -9.370 12.705 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.278 -7.215 11.422 1.00 0.00 H new ATOM 0 HB3 HIS A 121 2.451 -8.458 12.341 1.00 0.00 H new ATOM 0 HD2 HIS A 121 2.035 -7.469 14.832 1.00 0.00 H new ATOM 0 HE1 HIS A 121 5.725 -5.434 15.332 1.00 0.00 H new ATOM 0 HE2 HIS A 121 3.512 -6.038 16.436 1.00 0.00 H new