USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 710 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 87 HIS :FLIP no HE2:sc= -1.85 F(o=-5.2!,f=-3.8) USER MOD Set 1.2: A 89 HIS : no HE2:sc= -1.95 K(o=-3.8,f=-9.4!) USER MOD Set 2.1: A 51 ASN :FLIP amide:sc= -1.92! C(o=-3.7!,f=-1.9!) USER MOD Set 2.2: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -153:sc= -0.203 (180deg=-1.23) USER MOD Single : A 1 MET N :NH3+ -158:sc= -0.113 (180deg=-0.646) USER MOD Single : A 3 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.66) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -123:sc= -1.29 (180deg=-3.43!) USER MOD Single : A 19 LYS NZ :NH3+ 152:sc= -0.147 (180deg=-0.766) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 31 GLN :FLIP amide:sc= -1.19 F(o=-4.5!,f=-1.2) USER MOD Single : A 36 HIS : no HD1:sc= -0.116 K(o=-0.12,f=-0.73) USER MOD Single : A 37 GLN : amide:sc= -0.403 K(o=-0.4,f=-1.2) USER MOD Single : A 39 LYS NZ :NH3+ -167:sc= 0.0333 (180deg=-0.0884) USER MOD Single : A 43 GLN : amide:sc= -0.0236 K(o=-0.024,f=-1.8!) USER MOD Single : A 47 SER OG : rot -54:sc= 0.62 USER MOD Single : A 52 LYS NZ :NH3+ -118:sc= -1.03 (180deg=-3.01!) USER MOD Single : A 53 LYS NZ :NH3+ -178:sc= -5.13! (180deg=-5.15!) USER MOD Single : A 55 ASN : amide:sc= -1.89! C(o=-1.9!,f=-5.5!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-2.7!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0643 USER MOD Single : A 67 ASN : amide:sc= -1.95 K(o=-2,f=-2.9!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.649 USER MOD Single : A 72 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.19) USER MOD Single : A 76 GLN : amide:sc= -0.407 K(o=-0.41,f=-1.1) USER MOD Single : A 78 THR OG1 : rot 98:sc= 1.28 USER MOD Single : A 79 SER OG : rot -25:sc= 0.73 USER MOD Single : A 85 HIS : no HE2:sc= -1.24 K(o=-1.2,f=-3.3!) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.136 0.166 19.979 1.00 0.00 N ATOM 2 CA MET A 1 0.451 -0.342 21.344 1.00 0.00 C ATOM 3 C MET A 1 -0.234 0.540 22.382 1.00 0.00 C ATOM 4 O MET A 1 -0.052 1.758 22.395 1.00 0.00 O ATOM 5 CB MET A 1 1.968 -0.313 21.554 1.00 0.00 C ATOM 6 CG MET A 1 2.647 -1.263 20.561 1.00 0.00 C ATOM 7 SD MET A 1 2.150 -2.970 20.909 1.00 0.00 S ATOM 8 CE MET A 1 2.985 -3.146 22.507 1.00 0.00 C ATOM 0 H1 MET A 1 0.266 -0.598 19.286 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.850 0.495 19.950 1.00 0.00 H new ATOM 0 H3 MET A 1 0.772 0.956 19.747 1.00 0.00 H new ATOM 0 HA MET A 1 0.091 -1.365 21.451 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.344 0.701 21.417 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.209 -0.607 22.576 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.372 -0.995 19.541 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.730 -1.168 20.635 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.225 -4.195 22.679 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.904 -2.560 22.504 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.330 -2.789 23.301 1.00 0.00 H new ATOM 20 N GLY A 2 -1.022 -0.084 23.250 1.00 0.00 N ATOM 21 CA GLY A 2 -1.729 0.652 24.287 1.00 0.00 C ATOM 22 C GLY A 2 -2.957 1.347 23.718 1.00 0.00 C ATOM 23 O GLY A 2 -3.499 2.271 24.326 1.00 0.00 O ATOM 0 H GLY A 2 -1.186 -1.091 23.256 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -2.028 -0.030 25.083 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.063 1.390 24.733 1.00 0.00 H new ATOM 27 N GLN A 3 -3.398 0.898 22.542 1.00 0.00 N ATOM 28 CA GLN A 3 -4.570 1.488 21.898 1.00 0.00 C ATOM 29 C GLN A 3 -5.365 0.416 21.161 1.00 0.00 C ATOM 30 O GLN A 3 -4.801 -0.553 20.654 1.00 0.00 O ATOM 31 CB GLN A 3 -4.130 2.574 20.910 1.00 0.00 C ATOM 32 CG GLN A 3 -5.356 3.332 20.388 1.00 0.00 C ATOM 33 CD GLN A 3 -6.012 4.103 21.528 1.00 0.00 C ATOM 34 OE1 GLN A 3 -5.324 4.751 22.318 1.00 0.00 O ATOM 35 NE2 GLN A 3 -7.308 4.059 21.671 1.00 0.00 N ATOM 0 H GLN A 3 -2.966 0.135 22.021 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.204 1.933 22.665 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.444 3.266 21.399 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -3.589 2.123 20.078 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.060 4.019 19.596 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.069 2.632 19.953 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -7.875 3.522 21.015 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -7.754 4.562 22.438 1.00 0.00 H new ATOM 44 N ILE A 4 -6.682 0.600 21.105 1.00 0.00 N ATOM 45 CA ILE A 4 -7.556 -0.354 20.426 1.00 0.00 C ATOM 46 C ILE A 4 -7.691 -0.002 18.948 1.00 0.00 C ATOM 47 O ILE A 4 -7.897 1.159 18.591 1.00 0.00 O ATOM 48 CB ILE A 4 -8.932 -0.352 21.077 1.00 0.00 C ATOM 49 CG1 ILE A 4 -8.814 -0.843 22.523 1.00 0.00 C ATOM 50 CG2 ILE A 4 -9.871 -1.279 20.296 1.00 0.00 C ATOM 51 CD1 ILE A 4 -10.127 -0.574 23.262 1.00 0.00 C ATOM 0 H ILE A 4 -7.166 1.397 21.519 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.114 -1.347 20.512 1.00 0.00 H new ATOM 0 HB ILE A 4 -9.335 0.661 21.069 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -8.587 -1.909 22.539 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.991 -0.334 23.025 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -10.856 -1.277 20.763 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -9.956 -0.928 19.268 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -9.469 -2.292 20.301 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.043 -0.923 24.291 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -10.334 0.496 23.258 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -10.940 -1.103 22.764 1.00 0.00 H new ATOM 63 N PHE A 5 -7.568 -1.011 18.091 1.00 0.00 N ATOM 64 CA PHE A 5 -7.670 -0.794 16.654 1.00 0.00 C ATOM 65 C PHE A 5 -9.066 -0.309 16.291 1.00 0.00 C ATOM 66 O PHE A 5 -10.063 -0.868 16.742 1.00 0.00 O ATOM 67 CB PHE A 5 -7.372 -2.097 15.908 1.00 0.00 C ATOM 68 CG PHE A 5 -5.903 -2.421 16.024 1.00 0.00 C ATOM 69 CD1 PHE A 5 -4.983 -1.809 15.166 1.00 0.00 C ATOM 70 CD2 PHE A 5 -5.462 -3.334 16.990 1.00 0.00 C ATOM 71 CE1 PHE A 5 -3.620 -2.110 15.274 1.00 0.00 C ATOM 72 CE2 PHE A 5 -4.099 -3.634 17.098 1.00 0.00 C ATOM 73 CZ PHE A 5 -3.178 -3.022 16.240 1.00 0.00 C ATOM 0 H PHE A 5 -7.399 -1.979 18.365 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.943 -0.035 16.364 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.968 -2.910 16.323 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.652 -2.000 14.859 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -5.324 -1.105 14.421 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.173 -3.806 17.651 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.909 -1.638 14.612 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.758 -4.338 17.843 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.126 -3.253 16.323 1.00 0.00 H new ATOM 83 N THR A 6 -9.131 0.737 15.475 1.00 0.00 N ATOM 84 CA THR A 6 -10.414 1.291 15.062 1.00 0.00 C ATOM 85 C THR A 6 -11.029 0.445 13.954 1.00 0.00 C ATOM 86 O THR A 6 -10.332 -0.302 13.267 1.00 0.00 O ATOM 87 CB THR A 6 -10.225 2.725 14.560 1.00 0.00 C ATOM 88 OG1 THR A 6 -9.419 3.447 15.483 1.00 0.00 O ATOM 89 CG2 THR A 6 -11.586 3.416 14.431 1.00 0.00 C ATOM 0 H THR A 6 -8.317 1.215 15.089 1.00 0.00 H new ATOM 0 HA THR A 6 -11.083 1.290 15.922 1.00 0.00 H new ATOM 0 HB THR A 6 -9.739 2.701 13.585 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.296 4.365 15.162 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.444 4.436 14.073 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.207 2.867 13.724 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.077 3.438 15.404 1.00 0.00 H new ATOM 97 N VAL A 7 -12.336 0.576 13.785 1.00 0.00 N ATOM 98 CA VAL A 7 -13.044 -0.171 12.756 1.00 0.00 C ATOM 99 C VAL A 7 -12.560 0.234 11.368 1.00 0.00 C ATOM 100 O VAL A 7 -12.447 -0.601 10.475 1.00 0.00 O ATOM 101 CB VAL A 7 -14.554 0.071 12.865 1.00 0.00 C ATOM 102 CG1 VAL A 7 -15.079 -0.548 14.161 1.00 0.00 C ATOM 103 CG2 VAL A 7 -14.839 1.577 12.864 1.00 0.00 C ATOM 0 H VAL A 7 -12.927 1.191 14.345 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.839 -1.231 12.906 1.00 0.00 H new ATOM 0 HB VAL A 7 -15.054 -0.390 12.013 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.153 -0.376 14.238 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -14.883 -1.620 14.158 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -14.576 -0.090 15.013 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -15.913 1.744 12.942 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.337 2.043 13.712 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -14.469 2.017 11.938 1.00 0.00 H new ATOM 113 N GLN A 8 -12.281 1.521 11.191 1.00 0.00 N ATOM 114 CA GLN A 8 -11.826 2.021 9.900 1.00 0.00 C ATOM 115 C GLN A 8 -10.634 1.215 9.396 1.00 0.00 C ATOM 116 O GLN A 8 -10.602 0.799 8.238 1.00 0.00 O ATOM 117 CB GLN A 8 -11.422 3.493 10.034 1.00 0.00 C ATOM 118 CG GLN A 8 -11.054 4.052 8.658 1.00 0.00 C ATOM 119 CD GLN A 8 -10.729 5.538 8.768 1.00 0.00 C ATOM 120 OE1 GLN A 8 -10.019 5.955 9.684 1.00 0.00 O ATOM 121 NE2 GLN A 8 -11.207 6.368 7.882 1.00 0.00 N ATOM 0 H GLN A 8 -12.361 2.231 11.919 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.642 1.922 9.184 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.242 4.068 10.464 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.576 3.588 10.714 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.197 3.513 8.255 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.880 3.903 7.963 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.795 6.022 7.124 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.993 7.363 7.948 1.00 0.00 H new ATOM 130 N GLU A 9 -9.663 0.994 10.271 1.00 0.00 N ATOM 131 CA GLU A 9 -8.478 0.231 9.899 1.00 0.00 C ATOM 132 C GLU A 9 -8.829 -1.236 9.684 1.00 0.00 C ATOM 133 O GLU A 9 -8.276 -1.896 8.806 1.00 0.00 O ATOM 134 CB GLU A 9 -7.416 0.351 10.994 1.00 0.00 C ATOM 135 CG GLU A 9 -6.144 -0.380 10.556 1.00 0.00 C ATOM 136 CD GLU A 9 -5.054 -0.202 11.609 1.00 0.00 C ATOM 137 OE1 GLU A 9 -5.207 0.667 12.450 1.00 0.00 O ATOM 138 OE2 GLU A 9 -4.083 -0.939 11.555 1.00 0.00 O ATOM 0 H GLU A 9 -9.670 1.328 11.235 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.086 0.637 8.967 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.196 1.401 11.188 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.790 -0.074 11.926 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.354 -1.440 10.413 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.802 0.009 9.597 1.00 0.00 H new ATOM 145 N LEU A 10 -9.746 -1.739 10.499 1.00 0.00 N ATOM 146 CA LEU A 10 -10.155 -3.134 10.401 1.00 0.00 C ATOM 147 C LEU A 10 -10.830 -3.404 9.060 1.00 0.00 C ATOM 148 O LEU A 10 -10.673 -4.478 8.483 1.00 0.00 O ATOM 149 CB LEU A 10 -11.116 -3.484 11.541 1.00 0.00 C ATOM 150 CG LEU A 10 -11.133 -5.012 11.767 1.00 0.00 C ATOM 151 CD1 LEU A 10 -10.006 -5.408 12.729 1.00 0.00 C ATOM 152 CD2 LEU A 10 -12.477 -5.433 12.369 1.00 0.00 C ATOM 0 H LEU A 10 -10.218 -1.207 11.230 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.264 -3.757 10.477 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.809 -2.976 12.455 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.120 -3.132 11.303 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.989 -5.512 10.809 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.023 -6.487 12.885 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.045 -5.118 12.303 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.148 -4.901 13.684 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.483 -6.512 12.526 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.623 -4.926 13.323 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -13.282 -5.161 11.687 1.00 0.00 H new ATOM 164 N LYS A 11 -11.586 -2.426 8.576 1.00 0.00 N ATOM 165 CA LYS A 11 -12.286 -2.577 7.310 1.00 0.00 C ATOM 166 C LYS A 11 -11.307 -2.896 6.187 1.00 0.00 C ATOM 167 O LYS A 11 -11.581 -3.742 5.340 1.00 0.00 O ATOM 168 CB LYS A 11 -13.043 -1.285 6.978 1.00 0.00 C ATOM 169 CG LYS A 11 -14.286 -1.168 7.864 1.00 0.00 C ATOM 170 CD LYS A 11 -14.993 0.159 7.579 1.00 0.00 C ATOM 171 CE LYS A 11 -16.233 0.275 8.464 1.00 0.00 C ATOM 172 NZ LYS A 11 -16.938 1.552 8.168 1.00 0.00 N ATOM 0 H LYS A 11 -11.728 -1.528 9.038 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.992 -3.402 7.403 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.394 -0.423 7.131 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.333 -1.283 5.927 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.962 -2.001 7.672 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.003 -1.223 8.915 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.317 0.992 7.771 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.277 0.214 6.528 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.899 -0.570 8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.947 0.241 9.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.782 1.630 8.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.301 2.352 8.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.224 1.567 7.168 1.00 0.00 H new ATOM 186 N GLU A 12 -10.166 -2.218 6.188 1.00 0.00 N ATOM 187 CA GLU A 12 -9.158 -2.447 5.161 1.00 0.00 C ATOM 188 C GLU A 12 -8.604 -3.866 5.257 1.00 0.00 C ATOM 189 O GLU A 12 -8.488 -4.566 4.251 1.00 0.00 O ATOM 190 CB GLU A 12 -8.017 -1.441 5.323 1.00 0.00 C ATOM 191 CG GLU A 12 -6.998 -1.629 4.196 1.00 0.00 C ATOM 192 CD GLU A 12 -5.881 -0.598 4.323 1.00 0.00 C ATOM 193 OE1 GLU A 12 -5.812 0.048 5.354 1.00 0.00 O ATOM 194 OE2 GLU A 12 -5.111 -0.472 3.385 1.00 0.00 O ATOM 0 H GLU A 12 -9.917 -1.512 6.881 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.624 -2.319 4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.410 -0.425 5.305 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.533 -1.578 6.290 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.581 -2.635 4.236 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.490 -1.526 3.229 1.00 0.00 H new ATOM 201 N ARG A 13 -8.260 -4.281 6.471 1.00 0.00 N ATOM 202 CA ARG A 13 -7.715 -5.618 6.687 1.00 0.00 C ATOM 203 C ARG A 13 -8.812 -6.673 6.590 1.00 0.00 C ATOM 204 O ARG A 13 -8.541 -7.841 6.310 1.00 0.00 O ATOM 205 CB ARG A 13 -7.045 -5.696 8.059 1.00 0.00 C ATOM 206 CG ARG A 13 -5.776 -4.843 8.055 1.00 0.00 C ATOM 207 CD ARG A 13 -5.122 -4.895 9.436 1.00 0.00 C ATOM 208 NE ARG A 13 -3.916 -4.073 9.455 1.00 0.00 N ATOM 209 CZ ARG A 13 -2.748 -4.553 9.040 1.00 0.00 C ATOM 210 NH1 ARG A 13 -2.667 -5.779 8.602 1.00 0.00 N ATOM 211 NH2 ARG A 13 -1.683 -3.798 9.069 1.00 0.00 N ATOM 0 H ARG A 13 -8.348 -3.716 7.316 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.975 -5.814 5.911 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.730 -5.345 8.831 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.800 -6.731 8.298 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.082 -5.208 7.298 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.018 -3.813 7.794 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.823 -4.542 10.192 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.872 -5.925 9.689 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.971 -3.112 9.793 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.499 -6.368 8.578 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.771 -6.149 8.283 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.747 -2.839 9.410 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.787 -4.167 8.750 1.00 0.00 H new ATOM 225 N ALA A 14 -10.049 -6.253 6.826 1.00 0.00 N ATOM 226 CA ALA A 14 -11.181 -7.168 6.769 1.00 0.00 C ATOM 227 C ALA A 14 -11.504 -7.536 5.329 1.00 0.00 C ATOM 228 O ALA A 14 -12.308 -8.432 5.073 1.00 0.00 O ATOM 229 CB ALA A 14 -12.409 -6.531 7.421 1.00 0.00 C ATOM 0 H ALA A 14 -10.293 -5.290 7.057 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.912 -8.074 7.312 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.248 -7.225 7.372 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.189 -6.301 8.463 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.666 -5.613 6.893 1.00 0.00 H new ATOM 235 N LYS A 15 -10.879 -6.840 4.391 1.00 0.00 N ATOM 236 CA LYS A 15 -11.120 -7.108 2.982 1.00 0.00 C ATOM 237 C LYS A 15 -10.787 -8.556 2.643 1.00 0.00 C ATOM 238 O LYS A 15 -11.555 -9.230 1.959 1.00 0.00 O ATOM 239 CB LYS A 15 -10.256 -6.183 2.130 1.00 0.00 C ATOM 240 CG LYS A 15 -10.792 -4.756 2.218 1.00 0.00 C ATOM 241 CD LYS A 15 -9.860 -3.809 1.455 1.00 0.00 C ATOM 242 CE LYS A 15 -9.829 -4.181 -0.035 1.00 0.00 C ATOM 243 NZ LYS A 15 -8.780 -5.216 -0.260 1.00 0.00 N ATOM 0 H LYS A 15 -10.209 -6.094 4.577 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.175 -6.931 2.773 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.222 -6.216 2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.258 -6.520 1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.797 -4.708 1.800 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.865 -4.448 3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.199 -2.780 1.573 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.854 -3.863 1.872 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.802 -4.559 -0.348 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.621 -3.298 -0.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.101 -4.873 -0.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.282 -5.406 0.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.224 -6.092 -0.602 1.00 0.00 H new ATOM 257 N VAL A 16 -9.640 -9.030 3.129 1.00 0.00 N ATOM 258 CA VAL A 16 -9.218 -10.407 2.873 1.00 0.00 C ATOM 259 C VAL A 16 -9.551 -10.823 1.442 1.00 0.00 C ATOM 260 O VAL A 16 -8.748 -10.639 0.527 1.00 0.00 O ATOM 261 CB VAL A 16 -9.910 -11.351 3.859 1.00 0.00 C ATOM 262 CG1 VAL A 16 -9.470 -12.791 3.589 1.00 0.00 C ATOM 263 CG2 VAL A 16 -9.527 -10.962 5.289 1.00 0.00 C ATOM 0 H VAL A 16 -8.991 -8.486 3.698 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.138 -10.466 3.006 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.990 -11.274 3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.964 -13.461 4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.742 -13.070 2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.390 -12.870 3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.019 -11.633 5.993 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.446 -11.038 5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.843 -9.937 5.484 1.00 0.00 H new ATOM 273 N PHE A 17 -10.746 -11.383 1.257 1.00 0.00 N ATOM 274 CA PHE A 17 -11.188 -11.822 -0.063 1.00 0.00 C ATOM 275 C PHE A 17 -12.707 -11.738 -0.173 1.00 0.00 C ATOM 276 O PHE A 17 -13.409 -11.635 0.833 1.00 0.00 O ATOM 277 CB PHE A 17 -10.727 -13.258 -0.315 1.00 0.00 C ATOM 278 CG PHE A 17 -11.263 -13.729 -1.646 1.00 0.00 C ATOM 279 CD1 PHE A 17 -10.667 -13.289 -2.834 1.00 0.00 C ATOM 280 CD2 PHE A 17 -12.355 -14.602 -1.691 1.00 0.00 C ATOM 281 CE1 PHE A 17 -11.165 -13.725 -4.068 1.00 0.00 C ATOM 282 CE2 PHE A 17 -12.853 -15.037 -2.924 1.00 0.00 C ATOM 283 CZ PHE A 17 -12.258 -14.599 -4.112 1.00 0.00 C ATOM 0 H PHE A 17 -11.423 -11.542 2.003 1.00 0.00 H new ATOM 0 HA PHE A 17 -10.748 -11.166 -0.814 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.638 -13.309 -0.310 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.080 -13.911 0.483 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.824 -12.614 -2.799 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.814 -14.940 -0.774 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.706 -13.387 -4.985 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.696 -15.711 -2.959 1.00 0.00 H new ATOM 0 HZ PHE A 17 -12.642 -14.935 -5.064 1.00 0.00 H new ATOM 293 N ALA A 18 -13.205 -11.785 -1.403 1.00 0.00 N ATOM 294 CA ALA A 18 -14.639 -11.713 -1.638 1.00 0.00 C ATOM 295 C ALA A 18 -15.334 -12.904 -1.010 1.00 0.00 C ATOM 296 O ALA A 18 -15.115 -14.046 -1.417 1.00 0.00 O ATOM 297 CB ALA A 18 -14.926 -11.692 -3.140 1.00 0.00 C ATOM 0 H ALA A 18 -12.640 -11.872 -2.247 1.00 0.00 H new ATOM 0 HA ALA A 18 -15.017 -10.797 -1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -16.002 -11.638 -3.304 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -14.446 -10.823 -3.590 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -14.534 -12.600 -3.598 1.00 0.00 H new ATOM 303 N LYS A 19 -16.179 -12.638 -0.016 1.00 0.00 N ATOM 304 CA LYS A 19 -16.907 -13.708 0.659 1.00 0.00 C ATOM 305 C LYS A 19 -18.374 -13.324 0.875 1.00 0.00 C ATOM 306 O LYS A 19 -18.687 -12.148 1.062 1.00 0.00 O ATOM 307 CB LYS A 19 -16.253 -14.012 2.006 1.00 0.00 C ATOM 308 CG LYS A 19 -14.801 -14.500 1.786 1.00 0.00 C ATOM 309 CD LYS A 19 -14.482 -15.650 2.738 1.00 0.00 C ATOM 310 CE LYS A 19 -12.977 -15.901 2.739 1.00 0.00 C ATOM 311 NZ LYS A 19 -12.286 -14.736 3.361 1.00 0.00 N ATOM 0 H LYS A 19 -16.375 -11.701 0.336 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.872 -14.595 0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -16.255 -13.119 2.631 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -16.826 -14.773 2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.671 -14.826 0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -14.104 -13.678 1.951 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.823 -15.409 3.745 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.012 -16.551 2.429 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.749 -16.812 3.292 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.620 -16.049 1.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.394 -15.052 3.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.084 -14.023 2.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.897 -14.320 4.092 1.00 0.00 H new ATOM 325 N PRO A 20 -19.269 -14.286 0.875 1.00 0.00 N ATOM 326 CA PRO A 20 -20.718 -14.019 1.097 1.00 0.00 C ATOM 327 C PRO A 20 -20.960 -13.094 2.290 1.00 0.00 C ATOM 328 O PRO A 20 -20.274 -13.179 3.307 1.00 0.00 O ATOM 329 CB PRO A 20 -21.307 -15.417 1.367 1.00 0.00 C ATOM 330 CG PRO A 20 -20.383 -16.385 0.694 1.00 0.00 C ATOM 331 CD PRO A 20 -19.005 -15.723 0.642 1.00 0.00 C ATOM 0 HA PRO A 20 -21.173 -13.511 0.247 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -21.369 -15.615 2.437 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -22.318 -15.499 0.968 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -20.339 -17.324 1.246 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -20.736 -16.621 -0.310 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -18.340 -16.132 1.403 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -18.524 -15.886 -0.322 1.00 0.00 H new ATOM 339 N ILE A 21 -21.946 -12.212 2.151 1.00 0.00 N ATOM 340 CA ILE A 21 -22.287 -11.272 3.215 1.00 0.00 C ATOM 341 C ILE A 21 -23.312 -11.884 4.162 1.00 0.00 C ATOM 342 O ILE A 21 -24.173 -12.658 3.744 1.00 0.00 O ATOM 343 CB ILE A 21 -22.846 -9.981 2.610 1.00 0.00 C ATOM 344 CG1 ILE A 21 -24.076 -10.300 1.752 1.00 0.00 C ATOM 345 CG2 ILE A 21 -21.776 -9.321 1.738 1.00 0.00 C ATOM 346 CD1 ILE A 21 -24.702 -8.997 1.256 1.00 0.00 C ATOM 0 H ILE A 21 -22.522 -12.128 1.313 1.00 0.00 H new ATOM 0 HA ILE A 21 -21.383 -11.044 3.780 1.00 0.00 H new ATOM 0 HB ILE A 21 -23.133 -9.303 3.414 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -23.790 -10.924 0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -24.802 -10.866 2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -22.174 -8.402 1.307 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -20.903 -9.088 2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -21.488 -10.002 0.937 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -25.577 -9.223 0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -25.002 -8.389 2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -23.974 -8.448 0.658 1.00 0.00 H new ATOM 358 N GLY A 22 -23.214 -11.533 5.439 1.00 0.00 N ATOM 359 CA GLY A 22 -24.140 -12.055 6.437 1.00 0.00 C ATOM 360 C GLY A 22 -24.155 -11.171 7.677 1.00 0.00 C ATOM 361 O GLY A 22 -23.264 -10.345 7.874 1.00 0.00 O ATOM 0 H GLY A 22 -22.509 -10.894 5.806 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -25.143 -12.112 6.014 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.851 -13.070 6.712 1.00 0.00 H new ATOM 365 N ALA A 23 -25.177 -11.347 8.507 1.00 0.00 N ATOM 366 CA ALA A 23 -25.304 -10.557 9.726 1.00 0.00 C ATOM 367 C ALA A 23 -24.238 -10.958 10.740 1.00 0.00 C ATOM 368 O ALA A 23 -23.856 -10.167 11.602 1.00 0.00 O ATOM 369 CB ALA A 23 -26.691 -10.757 10.339 1.00 0.00 C ATOM 0 H ALA A 23 -25.925 -12.025 8.360 1.00 0.00 H new ATOM 0 HA ALA A 23 -25.169 -9.507 9.468 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -26.776 -10.163 11.249 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -27.453 -10.440 9.627 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -26.834 -11.811 10.579 1.00 0.00 H new ATOM 375 N SER A 24 -23.760 -12.194 10.632 1.00 0.00 N ATOM 376 CA SER A 24 -22.737 -12.688 11.545 1.00 0.00 C ATOM 377 C SER A 24 -21.357 -12.193 11.124 1.00 0.00 C ATOM 378 O SER A 24 -20.413 -12.210 11.915 1.00 0.00 O ATOM 379 CB SER A 24 -22.749 -14.217 11.562 1.00 0.00 C ATOM 380 OG SER A 24 -23.912 -14.670 12.242 1.00 0.00 O ATOM 0 H SER A 24 -24.062 -12.866 9.927 1.00 0.00 H new ATOM 0 HA SER A 24 -22.956 -12.311 12.544 1.00 0.00 H new ATOM 0 HB2 SER A 24 -22.736 -14.604 10.543 1.00 0.00 H new ATOM 0 HB3 SER A 24 -21.854 -14.594 12.057 1.00 0.00 H new ATOM 0 HG SER A 24 -23.924 -15.650 12.253 1.00 0.00 H new ATOM 386 N TYR A 25 -21.245 -11.753 9.875 1.00 0.00 N ATOM 387 CA TYR A 25 -19.975 -11.254 9.363 1.00 0.00 C ATOM 388 C TYR A 25 -19.625 -9.913 10.002 1.00 0.00 C ATOM 389 O TYR A 25 -18.498 -9.702 10.445 1.00 0.00 O ATOM 390 CB TYR A 25 -20.052 -11.096 7.842 1.00 0.00 C ATOM 391 CG TYR A 25 -18.763 -10.494 7.331 1.00 0.00 C ATOM 392 CD1 TYR A 25 -17.605 -11.276 7.264 1.00 0.00 C ATOM 393 CD2 TYR A 25 -18.727 -9.153 6.927 1.00 0.00 C ATOM 394 CE1 TYR A 25 -16.410 -10.718 6.792 1.00 0.00 C ATOM 395 CE2 TYR A 25 -17.533 -8.596 6.455 1.00 0.00 C ATOM 396 CZ TYR A 25 -16.375 -9.378 6.388 1.00 0.00 C ATOM 397 OH TYR A 25 -15.197 -8.829 5.923 1.00 0.00 O ATOM 0 H TYR A 25 -22.012 -11.732 9.203 1.00 0.00 H new ATOM 0 HA TYR A 25 -19.196 -11.974 9.614 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -20.224 -12.065 7.373 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -20.895 -10.459 7.574 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -17.632 -12.310 7.576 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -19.621 -8.549 6.980 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -15.516 -11.321 6.740 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -17.506 -7.563 6.143 1.00 0.00 H new ATOM 0 HH TYR A 25 -15.346 -7.890 5.683 1.00 0.00 H new ATOM 407 N GLN A 26 -20.601 -9.013 10.045 1.00 0.00 N ATOM 408 CA GLN A 26 -20.390 -7.694 10.632 1.00 0.00 C ATOM 409 C GLN A 26 -20.207 -7.801 12.143 1.00 0.00 C ATOM 410 O GLN A 26 -19.725 -6.870 12.787 1.00 0.00 O ATOM 411 CB GLN A 26 -21.578 -6.785 10.319 1.00 0.00 C ATOM 412 CG GLN A 26 -22.869 -7.446 10.803 1.00 0.00 C ATOM 413 CD GLN A 26 -24.065 -6.565 10.463 1.00 0.00 C ATOM 414 OE1 GLN A 26 -24.059 -5.874 9.444 1.00 0.00 O ATOM 415 NE2 GLN A 26 -25.099 -6.549 11.259 1.00 0.00 N ATOM 0 H GLN A 26 -21.541 -9.171 9.683 1.00 0.00 H new ATOM 0 HA GLN A 26 -19.485 -7.266 10.200 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -21.448 -5.818 10.805 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -21.633 -6.597 9.247 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -22.983 -8.424 10.336 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -22.822 -7.610 11.880 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -25.102 -7.122 12.103 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -25.904 -5.963 11.037 1.00 0.00 H new ATOM 424 N GLY A 27 -20.603 -8.940 12.702 1.00 0.00 N ATOM 425 CA GLY A 27 -20.485 -9.156 14.139 1.00 0.00 C ATOM 426 C GLY A 27 -19.067 -8.872 14.619 1.00 0.00 C ATOM 427 O GLY A 27 -18.859 -8.454 15.758 1.00 0.00 O ATOM 0 H GLY A 27 -21.006 -9.722 12.186 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.187 -8.511 14.666 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.755 -10.184 14.379 1.00 0.00 H new ATOM 431 N ILE A 28 -18.095 -9.101 13.745 1.00 0.00 N ATOM 432 CA ILE A 28 -16.700 -8.865 14.092 1.00 0.00 C ATOM 433 C ILE A 28 -16.429 -7.374 14.236 1.00 0.00 C ATOM 434 O ILE A 28 -15.527 -6.963 14.964 1.00 0.00 O ATOM 435 CB ILE A 28 -15.784 -9.449 13.009 1.00 0.00 C ATOM 436 CG1 ILE A 28 -14.334 -9.436 13.506 1.00 0.00 C ATOM 437 CG2 ILE A 28 -15.892 -8.613 11.726 1.00 0.00 C ATOM 438 CD1 ILE A 28 -13.456 -10.226 12.535 1.00 0.00 C ATOM 0 H ILE A 28 -18.245 -9.447 12.797 1.00 0.00 H new ATOM 0 HA ILE A 28 -16.496 -9.354 15.044 1.00 0.00 H new ATOM 0 HB ILE A 28 -16.089 -10.473 12.796 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -13.975 -8.410 13.586 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -14.276 -9.872 14.503 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -15.239 -9.034 10.962 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -16.922 -8.625 11.370 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -15.592 -7.586 11.935 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.425 -10.217 12.888 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -13.811 -11.255 12.478 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -13.505 -9.770 11.546 1.00 0.00 H new ATOM 450 N LEU A 29 -17.210 -6.563 13.526 1.00 0.00 N ATOM 451 CA LEU A 29 -17.036 -5.114 13.570 1.00 0.00 C ATOM 452 C LEU A 29 -17.911 -4.500 14.657 1.00 0.00 C ATOM 453 O LEU A 29 -17.492 -3.579 15.359 1.00 0.00 O ATOM 454 CB LEU A 29 -17.408 -4.505 12.209 1.00 0.00 C ATOM 455 CG LEU A 29 -16.679 -3.161 12.017 1.00 0.00 C ATOM 456 CD1 LEU A 29 -15.221 -3.397 11.576 1.00 0.00 C ATOM 457 CD2 LEU A 29 -17.408 -2.327 10.959 1.00 0.00 C ATOM 0 H LEU A 29 -17.964 -6.882 12.918 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.992 -4.898 13.796 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -17.138 -5.193 11.407 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -18.486 -4.355 12.151 1.00 0.00 H new ATOM 0 HG LEU A 29 -16.676 -2.625 12.966 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.721 -2.438 11.445 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -14.700 -3.977 12.338 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -15.210 -3.944 10.633 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -16.891 -1.377 10.825 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -17.421 -2.870 10.014 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -18.431 -2.140 11.285 1.00 0.00 H new ATOM 469 N ASP A 30 -19.126 -5.013 14.788 1.00 0.00 N ATOM 470 CA ASP A 30 -20.052 -4.506 15.788 1.00 0.00 C ATOM 471 C ASP A 30 -19.472 -4.671 17.186 1.00 0.00 C ATOM 472 O ASP A 30 -19.626 -3.798 18.040 1.00 0.00 O ATOM 473 CB ASP A 30 -21.383 -5.253 15.695 1.00 0.00 C ATOM 474 CG ASP A 30 -22.353 -4.721 16.744 1.00 0.00 C ATOM 475 OD1 ASP A 30 -21.944 -3.881 17.530 1.00 0.00 O ATOM 476 OD2 ASP A 30 -23.492 -5.155 16.744 1.00 0.00 O ATOM 0 H ASP A 30 -19.491 -5.776 14.218 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.217 -3.446 15.598 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.809 -5.132 14.699 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.222 -6.321 15.845 1.00 0.00 H new ATOM 481 N GLN A 31 -18.806 -5.796 17.413 1.00 0.00 N ATOM 482 CA GLN A 31 -18.212 -6.063 18.714 1.00 0.00 C ATOM 483 C GLN A 31 -17.104 -5.062 19.003 1.00 0.00 C ATOM 484 O GLN A 31 -16.917 -4.645 20.143 1.00 0.00 O ATOM 485 CB GLN A 31 -17.633 -7.484 18.751 1.00 0.00 C ATOM 486 CG GLN A 31 -17.238 -7.847 20.183 1.00 0.00 C ATOM 487 CD GLN A 31 -18.490 -8.007 21.038 1.00 0.00 C ATOM 488 OE1 GLN A 31 -18.583 -7.363 22.167 1.00 0.00 O flip ATOM 489 NE2 GLN A 31 -19.411 -8.733 20.663 1.00 0.00 N flip ATOM 0 H GLN A 31 -18.665 -6.531 16.720 1.00 0.00 H new ATOM 0 HA GLN A 31 -18.990 -5.969 19.472 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -18.368 -8.196 18.376 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -16.764 -7.549 18.097 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -16.662 -8.772 20.188 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -16.597 -7.071 20.601 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -19.336 -9.236 19.779 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -20.249 -8.831 21.236 1.00 0.00 H new ATOM 498 N LEU A 32 -16.359 -4.687 17.971 1.00 0.00 N ATOM 499 CA LEU A 32 -15.259 -3.750 18.157 1.00 0.00 C ATOM 500 C LEU A 32 -15.777 -2.421 18.706 1.00 0.00 C ATOM 501 O LEU A 32 -15.280 -1.909 19.709 1.00 0.00 O ATOM 502 CB LEU A 32 -14.547 -3.515 16.807 1.00 0.00 C ATOM 503 CG LEU A 32 -13.063 -3.189 17.036 1.00 0.00 C ATOM 504 CD1 LEU A 32 -12.940 -1.996 17.997 1.00 0.00 C ATOM 505 CD2 LEU A 32 -12.330 -4.428 17.622 1.00 0.00 C ATOM 0 H LEU A 32 -16.492 -5.010 17.013 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.554 -4.172 18.873 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.639 -4.402 16.180 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.028 -2.696 16.272 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.601 -2.929 16.084 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.887 -1.766 18.158 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.439 -1.128 17.566 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.407 -2.246 18.950 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.279 -4.187 17.781 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.787 -4.705 18.572 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.410 -5.262 16.924 1.00 0.00 H new ATOM 517 N ASP A 33 -16.783 -1.873 18.046 1.00 0.00 N ATOM 518 CA ASP A 33 -17.355 -0.606 18.477 1.00 0.00 C ATOM 519 C ASP A 33 -17.973 -0.747 19.857 1.00 0.00 C ATOM 520 O ASP A 33 -17.923 0.173 20.672 1.00 0.00 O ATOM 521 CB ASP A 33 -18.413 -0.144 17.476 1.00 0.00 C ATOM 522 CG ASP A 33 -18.823 1.292 17.782 1.00 0.00 C ATOM 523 OD1 ASP A 33 -18.460 1.778 18.842 1.00 0.00 O ATOM 524 OD2 ASP A 33 -19.488 1.886 16.951 1.00 0.00 O ATOM 0 H ASP A 33 -17.218 -2.279 17.218 1.00 0.00 H new ATOM 0 HA ASP A 33 -16.560 0.138 18.525 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.020 -0.211 16.461 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -19.283 -0.798 17.525 1.00 0.00 H new ATOM 529 N LEU A 34 -18.558 -1.909 20.110 1.00 0.00 N ATOM 530 CA LEU A 34 -19.192 -2.168 21.394 1.00 0.00 C ATOM 531 C LEU A 34 -18.170 -2.112 22.521 1.00 0.00 C ATOM 532 O LEU A 34 -18.446 -1.581 23.591 1.00 0.00 O ATOM 533 CB LEU A 34 -19.866 -3.545 21.383 1.00 0.00 C ATOM 534 CG LEU A 34 -20.922 -3.627 22.508 1.00 0.00 C ATOM 535 CD1 LEU A 34 -22.272 -3.099 22.004 1.00 0.00 C ATOM 536 CD2 LEU A 34 -21.085 -5.083 22.963 1.00 0.00 C ATOM 0 H LEU A 34 -18.607 -2.683 19.447 1.00 0.00 H new ATOM 0 HA LEU A 34 -19.944 -1.398 21.562 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -20.338 -3.720 20.416 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.118 -4.326 21.518 1.00 0.00 H new ATOM 0 HG LEU A 34 -20.588 -3.017 23.347 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -23.009 -3.161 22.805 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -22.163 -2.061 21.691 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -22.604 -3.700 21.157 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -21.831 -5.135 23.756 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.409 -5.694 22.120 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -20.131 -5.456 23.336 1.00 0.00 H new ATOM 548 N VAL A 35 -16.991 -2.669 22.273 1.00 0.00 N ATOM 549 CA VAL A 35 -15.941 -2.683 23.283 1.00 0.00 C ATOM 550 C VAL A 35 -15.649 -1.265 23.762 1.00 0.00 C ATOM 551 O VAL A 35 -15.127 -1.067 24.860 1.00 0.00 O ATOM 552 CB VAL A 35 -14.665 -3.307 22.696 1.00 0.00 C ATOM 553 CG1 VAL A 35 -13.469 -3.032 23.620 1.00 0.00 C ATOM 554 CG2 VAL A 35 -14.856 -4.822 22.551 1.00 0.00 C ATOM 0 H VAL A 35 -16.739 -3.113 21.390 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.277 -3.278 24.132 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.471 -2.864 21.719 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.570 -3.479 23.195 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.327 -1.956 23.721 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.660 -3.466 24.601 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.951 -5.265 22.135 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -15.057 -5.259 23.529 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -15.696 -5.021 21.886 1.00 0.00 H new ATOM 564 N HIS A 36 -15.982 -0.282 22.935 1.00 0.00 N ATOM 565 CA HIS A 36 -15.744 1.112 23.290 1.00 0.00 C ATOM 566 C HIS A 36 -16.884 1.652 24.145 1.00 0.00 C ATOM 567 O HIS A 36 -16.654 2.308 25.162 1.00 0.00 O ATOM 568 CB HIS A 36 -15.611 1.953 22.023 1.00 0.00 C ATOM 569 CG HIS A 36 -15.118 3.327 22.384 1.00 0.00 C ATOM 570 ND1 HIS A 36 -15.970 4.326 22.828 1.00 0.00 N ATOM 571 CD2 HIS A 36 -13.862 3.881 22.372 1.00 0.00 C ATOM 572 CE1 HIS A 36 -15.222 5.420 23.063 1.00 0.00 C ATOM 573 NE2 HIS A 36 -13.931 5.203 22.802 1.00 0.00 N ATOM 0 H HIS A 36 -16.414 -0.421 22.022 1.00 0.00 H new ATOM 0 HA HIS A 36 -14.820 1.169 23.865 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -14.919 1.477 21.329 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -16.574 2.022 21.516 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -12.959 3.369 22.074 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.618 6.359 23.419 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -13.160 5.864 22.897 1.00 0.00 H new ATOM 581 N GLN A 37 -18.117 1.376 23.726 1.00 0.00 N ATOM 582 CA GLN A 37 -19.290 1.844 24.462 1.00 0.00 C ATOM 583 C GLN A 37 -19.652 0.862 25.576 1.00 0.00 C ATOM 584 O GLN A 37 -20.481 1.157 26.435 1.00 0.00 O ATOM 585 CB GLN A 37 -20.477 1.998 23.501 1.00 0.00 C ATOM 586 CG GLN A 37 -21.519 2.943 24.107 1.00 0.00 C ATOM 587 CD GLN A 37 -20.998 4.375 24.065 1.00 0.00 C ATOM 588 OE1 GLN A 37 -20.317 4.818 24.990 1.00 0.00 O ATOM 589 NE2 GLN A 37 -21.276 5.130 23.037 1.00 0.00 N ATOM 0 H GLN A 37 -18.329 0.835 22.888 1.00 0.00 H new ATOM 0 HA GLN A 37 -19.057 2.810 24.911 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -20.133 2.388 22.543 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -20.926 1.024 23.305 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -22.456 2.870 23.554 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -21.733 2.653 25.136 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -21.840 4.762 22.271 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -20.929 6.088 22.999 1.00 0.00 H new ATOM 598 N ALA A 38 -19.025 -0.308 25.553 1.00 0.00 N ATOM 599 CA ALA A 38 -19.297 -1.324 26.562 1.00 0.00 C ATOM 600 C ALA A 38 -18.702 -0.923 27.907 1.00 0.00 C ATOM 601 O ALA A 38 -17.600 -0.378 27.972 1.00 0.00 O ATOM 602 CB ALA A 38 -18.715 -2.665 26.125 1.00 0.00 C ATOM 0 H ALA A 38 -18.332 -0.575 24.854 1.00 0.00 H new ATOM 0 HA ALA A 38 -20.378 -1.416 26.671 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -18.924 -3.417 26.886 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -19.168 -2.968 25.181 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -17.637 -2.569 25.996 1.00 0.00 H new ATOM 608 N LYS A 39 -19.443 -1.193 28.978 1.00 0.00 N ATOM 609 CA LYS A 39 -18.986 -0.848 30.322 1.00 0.00 C ATOM 610 C LYS A 39 -18.012 -1.892 30.850 1.00 0.00 C ATOM 611 O LYS A 39 -17.776 -2.908 30.213 1.00 0.00 O ATOM 612 CB LYS A 39 -20.183 -0.729 31.267 1.00 0.00 C ATOM 613 CG LYS A 39 -21.323 0.008 30.555 1.00 0.00 C ATOM 614 CD LYS A 39 -20.789 1.281 29.889 1.00 0.00 C ATOM 615 CE LYS A 39 -21.955 2.210 29.548 1.00 0.00 C ATOM 616 NZ LYS A 39 -22.868 1.527 28.589 1.00 0.00 N ATOM 0 H LYS A 39 -20.356 -1.646 28.943 1.00 0.00 H new ATOM 0 HA LYS A 39 -18.469 0.110 30.271 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -20.514 -1.720 31.578 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -19.895 -0.191 32.170 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -21.775 -0.642 29.806 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -22.105 0.263 31.270 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -20.091 1.787 30.556 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -20.237 1.026 28.984 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -22.497 2.479 30.455 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -21.581 3.137 29.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -23.531 2.220 28.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -22.310 1.098 27.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -23.401 0.785 29.086 1.00 0.00 H new ATOM 630 N GLY A 40 -17.452 -1.635 32.023 1.00 0.00 N ATOM 631 CA GLY A 40 -16.507 -2.569 32.618 1.00 0.00 C ATOM 632 C GLY A 40 -17.077 -3.984 32.642 1.00 0.00 C ATOM 633 O GLY A 40 -16.333 -4.961 32.650 1.00 0.00 O ATOM 0 H GLY A 40 -17.632 -0.797 32.577 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.575 -2.558 32.053 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.268 -2.252 33.633 1.00 0.00 H new ATOM 637 N ARG A 41 -18.404 -4.091 32.655 1.00 0.00 N ATOM 638 CA ARG A 41 -19.058 -5.399 32.678 1.00 0.00 C ATOM 639 C ARG A 41 -19.239 -5.936 31.260 1.00 0.00 C ATOM 640 O ARG A 41 -18.740 -7.010 30.924 1.00 0.00 O ATOM 641 CB ARG A 41 -20.423 -5.274 33.354 1.00 0.00 C ATOM 642 CG ARG A 41 -20.229 -4.915 34.828 1.00 0.00 C ATOM 643 CD ARG A 41 -21.595 -4.722 35.485 1.00 0.00 C ATOM 644 NE ARG A 41 -21.430 -4.335 36.884 1.00 0.00 N ATOM 645 CZ ARG A 41 -22.449 -4.378 37.737 1.00 0.00 C ATOM 646 NH1 ARG A 41 -23.623 -4.774 37.331 1.00 0.00 N ATOM 647 NH2 ARG A 41 -22.275 -4.025 38.982 1.00 0.00 N ATOM 0 H ARG A 41 -19.043 -3.296 32.650 1.00 0.00 H new ATOM 0 HA ARG A 41 -18.430 -6.093 33.236 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -21.018 -4.508 32.857 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -20.972 -6.212 33.266 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -19.676 -5.705 35.337 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -19.638 -4.004 34.917 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -22.158 -3.956 34.952 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -22.172 -5.645 35.421 1.00 0.00 H new ATOM 0 HE ARG A 41 -20.515 -4.026 37.213 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -23.760 -5.051 36.359 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -24.405 -4.807 37.986 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -21.357 -3.716 39.301 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -23.057 -4.058 39.636 1.00 0.00 H new ATOM 661 N ASP A 42 -19.956 -5.182 30.435 1.00 0.00 N ATOM 662 CA ASP A 42 -20.200 -5.589 29.056 1.00 0.00 C ATOM 663 C ASP A 42 -18.898 -5.612 28.262 1.00 0.00 C ATOM 664 O ASP A 42 -18.755 -6.372 27.304 1.00 0.00 O ATOM 665 CB ASP A 42 -21.192 -4.628 28.398 1.00 0.00 C ATOM 666 CG ASP A 42 -21.630 -5.182 27.044 1.00 0.00 C ATOM 667 OD1 ASP A 42 -21.271 -6.310 26.745 1.00 0.00 O ATOM 668 OD2 ASP A 42 -22.314 -4.472 26.326 1.00 0.00 O ATOM 0 H ASP A 42 -20.377 -4.290 30.695 1.00 0.00 H new ATOM 0 HA ASP A 42 -20.620 -6.595 29.062 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -22.060 -4.490 29.042 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -20.732 -3.648 28.269 1.00 0.00 H new ATOM 673 N GLN A 43 -17.952 -4.770 28.668 1.00 0.00 N ATOM 674 CA GLN A 43 -16.666 -4.695 27.987 1.00 0.00 C ATOM 675 C GLN A 43 -15.915 -6.017 28.127 1.00 0.00 C ATOM 676 O GLN A 43 -15.301 -6.500 27.175 1.00 0.00 O ATOM 677 CB GLN A 43 -15.821 -3.561 28.574 1.00 0.00 C ATOM 678 CG GLN A 43 -14.471 -3.506 27.859 1.00 0.00 C ATOM 679 CD GLN A 43 -13.712 -2.257 28.285 1.00 0.00 C ATOM 680 OE1 GLN A 43 -14.311 -1.302 28.780 1.00 0.00 O ATOM 681 NE2 GLN A 43 -12.417 -2.205 28.125 1.00 0.00 N ATOM 0 H GLN A 43 -18.052 -4.135 29.460 1.00 0.00 H new ATOM 0 HA GLN A 43 -16.847 -4.497 26.930 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -16.342 -2.610 28.463 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -15.672 -3.720 29.642 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -13.887 -4.396 28.096 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.621 -3.501 26.779 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.922 -2.997 27.715 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.901 -1.373 28.410 1.00 0.00 H new ATOM 690 N ILE A 44 -15.976 -6.599 29.319 1.00 0.00 N ATOM 691 CA ILE A 44 -15.308 -7.871 29.576 1.00 0.00 C ATOM 692 C ILE A 44 -15.934 -8.981 28.734 1.00 0.00 C ATOM 693 O ILE A 44 -15.232 -9.810 28.160 1.00 0.00 O ATOM 694 CB ILE A 44 -15.402 -8.226 31.065 1.00 0.00 C ATOM 695 CG1 ILE A 44 -14.542 -7.254 31.873 1.00 0.00 C ATOM 696 CG2 ILE A 44 -14.901 -9.657 31.288 1.00 0.00 C ATOM 697 CD1 ILE A 44 -14.883 -7.392 33.358 1.00 0.00 C ATOM 0 H ILE A 44 -16.478 -6.214 30.119 1.00 0.00 H new ATOM 0 HA ILE A 44 -14.258 -7.773 29.301 1.00 0.00 H new ATOM 0 HB ILE A 44 -16.440 -8.153 31.389 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -13.485 -7.464 31.710 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -14.719 -6.231 31.541 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -14.969 -9.906 32.347 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -15.514 -10.351 30.712 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -13.863 -9.734 30.964 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.272 -6.700 33.938 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -15.937 -7.161 33.512 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.684 -8.413 33.684 1.00 0.00 H new ATOM 709 N ALA A 45 -17.259 -8.992 28.672 1.00 0.00 N ATOM 710 CA ALA A 45 -17.966 -10.010 27.905 1.00 0.00 C ATOM 711 C ALA A 45 -17.529 -9.987 26.443 1.00 0.00 C ATOM 712 O ALA A 45 -17.445 -11.030 25.793 1.00 0.00 O ATOM 713 CB ALA A 45 -19.474 -9.770 27.991 1.00 0.00 C ATOM 0 H ALA A 45 -17.862 -8.314 29.139 1.00 0.00 H new ATOM 0 HA ALA A 45 -17.725 -10.986 28.326 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -19.997 -10.534 27.416 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -19.791 -9.819 29.033 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -19.709 -8.786 27.586 1.00 0.00 H new ATOM 719 N ALA A 46 -17.247 -8.793 25.933 1.00 0.00 N ATOM 720 CA ALA A 46 -16.816 -8.641 24.552 1.00 0.00 C ATOM 721 C ALA A 46 -15.498 -9.368 24.326 1.00 0.00 C ATOM 722 O ALA A 46 -15.266 -9.936 23.260 1.00 0.00 O ATOM 723 CB ALA A 46 -16.648 -7.160 24.218 1.00 0.00 C ATOM 0 H ALA A 46 -17.310 -7.919 26.456 1.00 0.00 H new ATOM 0 HA ALA A 46 -17.576 -9.074 23.901 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -16.325 -7.055 23.182 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.599 -6.646 24.355 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -15.900 -6.721 24.878 1.00 0.00 H new ATOM 729 N SER A 47 -14.631 -9.339 25.336 1.00 0.00 N ATOM 730 CA SER A 47 -13.336 -9.993 25.225 1.00 0.00 C ATOM 731 C SER A 47 -13.503 -11.497 25.024 1.00 0.00 C ATOM 732 O SER A 47 -12.847 -12.096 24.173 1.00 0.00 O ATOM 733 CB SER A 47 -12.506 -9.739 26.483 1.00 0.00 C ATOM 734 OG SER A 47 -13.058 -10.475 27.566 1.00 0.00 O ATOM 0 H SER A 47 -14.801 -8.875 26.228 1.00 0.00 H new ATOM 0 HA SER A 47 -12.821 -9.576 24.359 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.471 -10.037 26.316 1.00 0.00 H new ATOM 0 HB3 SER A 47 -12.497 -8.675 26.718 1.00 0.00 H new ATOM 0 HG SER A 47 -14.010 -10.260 27.657 1.00 0.00 H new ATOM 740 N PHE A 48 -14.389 -12.098 25.812 1.00 0.00 N ATOM 741 CA PHE A 48 -14.637 -13.531 25.707 1.00 0.00 C ATOM 742 C PHE A 48 -15.211 -13.877 24.338 1.00 0.00 C ATOM 743 O PHE A 48 -14.772 -14.831 23.696 1.00 0.00 O ATOM 744 CB PHE A 48 -15.614 -13.974 26.806 1.00 0.00 C ATOM 745 CG PHE A 48 -14.889 -14.057 28.130 1.00 0.00 C ATOM 746 CD1 PHE A 48 -14.143 -15.199 28.443 1.00 0.00 C ATOM 747 CD2 PHE A 48 -14.959 -12.996 29.040 1.00 0.00 C ATOM 748 CE1 PHE A 48 -13.470 -15.283 29.666 1.00 0.00 C ATOM 749 CE2 PHE A 48 -14.284 -13.080 30.264 1.00 0.00 C ATOM 750 CZ PHE A 48 -13.539 -14.222 30.576 1.00 0.00 C ATOM 0 H PHE A 48 -14.942 -11.620 26.524 1.00 0.00 H new ATOM 0 HA PHE A 48 -13.690 -14.056 25.831 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -16.441 -13.267 26.877 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -16.044 -14.944 26.555 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -14.087 -16.016 27.739 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.533 -12.114 28.799 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.897 -16.166 29.908 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -14.339 -12.262 30.968 1.00 0.00 H new ATOM 0 HZ PHE A 48 -13.017 -14.285 31.519 1.00 0.00 H new ATOM 760 N GLU A 49 -16.191 -13.097 23.897 1.00 0.00 N ATOM 761 CA GLU A 49 -16.814 -13.337 22.603 1.00 0.00 C ATOM 762 C GLU A 49 -15.826 -13.066 21.479 1.00 0.00 C ATOM 763 O GLU A 49 -15.666 -13.879 20.569 1.00 0.00 O ATOM 764 CB GLU A 49 -18.039 -12.435 22.440 1.00 0.00 C ATOM 765 CG GLU A 49 -18.737 -12.751 21.116 1.00 0.00 C ATOM 766 CD GLU A 49 -20.006 -11.917 20.983 1.00 0.00 C ATOM 767 OE1 GLU A 49 -20.425 -11.349 21.977 1.00 0.00 O ATOM 768 OE2 GLU A 49 -20.544 -11.864 19.889 1.00 0.00 O ATOM 0 H GLU A 49 -16.568 -12.301 24.411 1.00 0.00 H new ATOM 0 HA GLU A 49 -17.124 -14.381 22.555 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -18.728 -12.587 23.271 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -17.738 -11.388 22.463 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -18.066 -12.542 20.283 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -18.983 -13.812 21.069 1.00 0.00 H new ATOM 775 N LEU A 50 -15.166 -11.920 21.552 1.00 0.00 N ATOM 776 CA LEU A 50 -14.195 -11.549 20.536 1.00 0.00 C ATOM 777 C LEU A 50 -13.042 -12.546 20.516 1.00 0.00 C ATOM 778 O LEU A 50 -12.547 -12.916 19.450 1.00 0.00 O ATOM 779 CB LEU A 50 -13.656 -10.139 20.803 1.00 0.00 C ATOM 780 CG LEU A 50 -12.716 -9.710 19.663 1.00 0.00 C ATOM 781 CD1 LEU A 50 -13.485 -9.643 18.329 1.00 0.00 C ATOM 782 CD2 LEU A 50 -12.118 -8.335 19.992 1.00 0.00 C ATOM 0 H LEU A 50 -15.284 -11.236 22.299 1.00 0.00 H new ATOM 0 HA LEU A 50 -14.691 -11.561 19.566 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.483 -9.435 20.888 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.122 -10.119 21.753 1.00 0.00 H new ATOM 0 HG LEU A 50 -11.916 -10.443 19.563 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.806 -9.338 17.533 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.898 -10.625 18.098 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -14.295 -8.919 18.412 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -11.451 -8.026 19.187 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.921 -7.605 20.098 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.557 -8.396 20.925 1.00 0.00 H new ATOM 794 N ASN A 51 -12.609 -12.969 21.699 1.00 0.00 N ATOM 795 CA ASN A 51 -11.503 -13.912 21.798 1.00 0.00 C ATOM 796 C ASN A 51 -11.832 -15.205 21.057 1.00 0.00 C ATOM 797 O ASN A 51 -11.030 -15.696 20.263 1.00 0.00 O ATOM 798 CB ASN A 51 -11.223 -14.223 23.270 1.00 0.00 C ATOM 799 CG ASN A 51 -10.158 -15.309 23.384 1.00 0.00 C ATOM 800 OD1 ASN A 51 -9.522 -15.694 22.313 1.00 0.00 O flip ATOM 801 ND2 ASN A 51 -9.905 -15.821 24.474 1.00 0.00 N flip ATOM 0 H ASN A 51 -13.003 -12.677 22.594 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.620 -13.463 21.343 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.890 -13.321 23.783 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.140 -14.549 23.761 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.405 -15.516 25.309 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.195 -16.550 24.542 1.00 0.00 H new ATOM 808 N LYS A 52 -13.016 -15.743 21.316 1.00 0.00 N ATOM 809 CA LYS A 52 -13.441 -16.971 20.659 1.00 0.00 C ATOM 810 C LYS A 52 -13.575 -16.750 19.159 1.00 0.00 C ATOM 811 O LYS A 52 -13.218 -17.612 18.358 1.00 0.00 O ATOM 812 CB LYS A 52 -14.773 -17.445 21.238 1.00 0.00 C ATOM 813 CG LYS A 52 -14.562 -17.924 22.676 1.00 0.00 C ATOM 814 CD LYS A 52 -15.882 -18.480 23.223 1.00 0.00 C ATOM 815 CE LYS A 52 -16.950 -17.376 23.252 1.00 0.00 C ATOM 816 NZ LYS A 52 -17.679 -17.367 21.951 1.00 0.00 N ATOM 0 H LYS A 52 -13.694 -15.353 21.970 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.686 -17.737 20.834 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.500 -16.634 21.217 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -15.179 -18.253 20.630 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -13.790 -18.693 22.706 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.215 -17.100 23.299 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.222 -19.309 22.602 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.730 -18.876 24.227 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.647 -17.549 24.072 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -16.484 -16.407 23.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -17.535 -16.452 21.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -17.317 -18.130 21.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -18.695 -17.513 22.121 1.00 0.00 H new ATOM 830 N LYS A 53 -14.101 -15.588 18.784 1.00 0.00 N ATOM 831 CA LYS A 53 -14.283 -15.265 17.377 1.00 0.00 C ATOM 832 C LYS A 53 -12.940 -15.219 16.661 1.00 0.00 C ATOM 833 O LYS A 53 -12.785 -15.774 15.574 1.00 0.00 O ATOM 834 CB LYS A 53 -14.975 -13.912 17.246 1.00 0.00 C ATOM 835 CG LYS A 53 -15.320 -13.652 15.776 1.00 0.00 C ATOM 836 CD LYS A 53 -16.024 -12.294 15.636 1.00 0.00 C ATOM 837 CE LYS A 53 -17.481 -12.394 16.106 1.00 0.00 C ATOM 838 NZ LYS A 53 -18.219 -11.169 15.697 1.00 0.00 N ATOM 0 H LYS A 53 -14.406 -14.861 19.431 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.899 -16.039 16.920 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -15.881 -13.896 17.851 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.326 -13.122 17.623 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -14.412 -13.665 15.173 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.964 -14.446 15.399 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -15.497 -11.542 16.223 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.992 -11.967 14.597 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -17.953 -13.277 15.675 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -17.518 -12.509 17.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -19.198 -11.221 16.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -17.752 -10.332 16.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -18.224 -11.097 14.660 1.00 0.00 H new ATOM 852 N ILE A 54 -11.968 -14.552 17.279 1.00 0.00 N ATOM 853 CA ILE A 54 -10.640 -14.443 16.685 1.00 0.00 C ATOM 854 C ILE A 54 -9.974 -15.815 16.623 1.00 0.00 C ATOM 855 O ILE A 54 -9.384 -16.185 15.608 1.00 0.00 O ATOM 856 CB ILE A 54 -9.773 -13.487 17.515 1.00 0.00 C ATOM 857 CG1 ILE A 54 -10.315 -12.060 17.378 1.00 0.00 C ATOM 858 CG2 ILE A 54 -8.321 -13.535 17.020 1.00 0.00 C ATOM 859 CD1 ILE A 54 -9.626 -11.150 18.398 1.00 0.00 C ATOM 0 H ILE A 54 -12.073 -14.085 18.179 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.742 -14.052 15.673 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.803 -13.791 18.561 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.140 -11.689 16.368 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.393 -12.052 17.538 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.711 -12.854 17.614 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.935 -14.549 17.122 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.284 -13.236 15.973 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.012 -10.135 18.300 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.823 -11.517 19.405 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.551 -11.148 18.217 1.00 0.00 H new ATOM 871 N ASN A 55 -10.076 -16.564 17.715 1.00 0.00 N ATOM 872 CA ASN A 55 -9.482 -17.894 17.771 1.00 0.00 C ATOM 873 C ASN A 55 -10.129 -18.820 16.746 1.00 0.00 C ATOM 874 O ASN A 55 -9.450 -19.609 16.090 1.00 0.00 O ATOM 875 CB ASN A 55 -9.647 -18.483 19.172 1.00 0.00 C ATOM 876 CG ASN A 55 -9.109 -19.910 19.204 1.00 0.00 C ATOM 877 OD1 ASN A 55 -9.538 -20.754 18.418 1.00 0.00 O ATOM 878 ND2 ASN A 55 -8.189 -20.231 20.072 1.00 0.00 N ATOM 0 H ASN A 55 -10.560 -16.277 18.566 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.421 -17.804 17.538 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.115 -17.869 19.899 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.699 -18.476 19.457 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.824 -21.183 20.100 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.835 -19.530 20.723 1.00 0.00 H new ATOM 885 N ASP A 56 -11.448 -18.720 16.621 1.00 0.00 N ATOM 886 CA ASP A 56 -12.184 -19.557 15.681 1.00 0.00 C ATOM 887 C ASP A 56 -11.747 -19.270 14.249 1.00 0.00 C ATOM 888 O ASP A 56 -11.619 -20.183 13.435 1.00 0.00 O ATOM 889 CB ASP A 56 -13.686 -19.300 15.817 1.00 0.00 C ATOM 890 CG ASP A 56 -14.461 -20.222 14.881 1.00 0.00 C ATOM 891 OD1 ASP A 56 -13.825 -20.897 14.089 1.00 0.00 O ATOM 892 OD2 ASP A 56 -15.677 -20.238 14.971 1.00 0.00 O ATOM 0 H ASP A 56 -12.026 -18.072 17.155 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.970 -20.601 15.912 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.000 -19.467 16.847 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.908 -18.259 15.581 1.00 0.00 H new ATOM 897 N TYR A 57 -11.516 -17.997 13.952 1.00 0.00 N ATOM 898 CA TYR A 57 -11.093 -17.601 12.615 1.00 0.00 C ATOM 899 C TYR A 57 -9.789 -18.302 12.243 1.00 0.00 C ATOM 900 O TYR A 57 -9.635 -18.790 11.124 1.00 0.00 O ATOM 901 CB TYR A 57 -10.906 -16.071 12.557 1.00 0.00 C ATOM 902 CG TYR A 57 -12.208 -15.399 12.179 1.00 0.00 C ATOM 903 CD1 TYR A 57 -13.411 -15.829 12.752 1.00 0.00 C ATOM 904 CD2 TYR A 57 -12.210 -14.358 11.245 1.00 0.00 C ATOM 905 CE1 TYR A 57 -14.613 -15.215 12.393 1.00 0.00 C ATOM 906 CE2 TYR A 57 -13.412 -13.742 10.887 1.00 0.00 C ATOM 907 CZ TYR A 57 -14.614 -14.173 11.460 1.00 0.00 C ATOM 908 OH TYR A 57 -15.801 -13.567 11.106 1.00 0.00 O ATOM 0 H TYR A 57 -11.614 -17.227 14.613 1.00 0.00 H new ATOM 0 HA TYR A 57 -11.862 -17.894 11.901 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -10.565 -15.702 13.524 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.134 -15.819 11.830 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -13.409 -16.635 13.471 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -11.282 -14.030 10.800 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -15.541 -15.545 12.836 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -13.414 -12.935 10.169 1.00 0.00 H new ATOM 0 HH TYR A 57 -15.625 -12.862 10.448 1.00 0.00 H new ATOM 918 N ILE A 58 -8.857 -18.347 13.183 1.00 0.00 N ATOM 919 CA ILE A 58 -7.577 -18.987 12.930 1.00 0.00 C ATOM 920 C ILE A 58 -7.773 -20.474 12.648 1.00 0.00 C ATOM 921 O ILE A 58 -7.186 -21.021 11.716 1.00 0.00 O ATOM 922 CB ILE A 58 -6.661 -18.808 14.144 1.00 0.00 C ATOM 923 CG1 ILE A 58 -6.283 -17.333 14.284 1.00 0.00 C ATOM 924 CG2 ILE A 58 -5.389 -19.640 13.957 1.00 0.00 C ATOM 925 CD1 ILE A 58 -5.619 -17.102 15.642 1.00 0.00 C ATOM 0 H ILE A 58 -8.961 -17.952 14.118 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.118 -18.522 12.057 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.184 -19.140 15.041 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.604 -17.043 13.482 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.172 -16.709 14.191 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.739 -19.511 14.822 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.654 -20.692 13.856 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.867 -19.310 13.059 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.350 -16.050 15.741 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.312 -17.376 16.437 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.721 -17.715 15.717 1.00 0.00 H new ATOM 937 N ALA A 59 -8.605 -21.119 13.459 1.00 0.00 N ATOM 938 CA ALA A 59 -8.871 -22.541 13.287 1.00 0.00 C ATOM 939 C ALA A 59 -9.553 -22.802 11.951 1.00 0.00 C ATOM 940 O ALA A 59 -9.305 -23.817 11.302 1.00 0.00 O ATOM 941 CB ALA A 59 -9.756 -23.049 14.425 1.00 0.00 C ATOM 0 H ALA A 59 -9.103 -20.683 14.236 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.920 -23.073 13.304 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.950 -24.113 14.288 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.250 -22.892 15.377 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.701 -22.505 14.422 1.00 0.00 H new ATOM 947 N GLU A 60 -10.423 -21.880 11.551 1.00 0.00 N ATOM 948 CA GLU A 60 -11.144 -22.022 10.291 1.00 0.00 C ATOM 949 C GLU A 60 -10.206 -21.805 9.108 1.00 0.00 C ATOM 950 O GLU A 60 -10.289 -22.510 8.101 1.00 0.00 O ATOM 951 CB GLU A 60 -12.287 -21.006 10.227 1.00 0.00 C ATOM 952 CG GLU A 60 -13.172 -21.301 9.011 1.00 0.00 C ATOM 953 CD GLU A 60 -13.946 -22.595 9.237 1.00 0.00 C ATOM 954 OE1 GLU A 60 -13.900 -23.105 10.344 1.00 0.00 O ATOM 955 OE2 GLU A 60 -14.571 -23.061 8.297 1.00 0.00 O ATOM 0 H GLU A 60 -10.645 -21.034 12.076 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.549 -23.032 10.239 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.880 -21.053 11.140 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.885 -19.995 10.160 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.865 -20.476 8.846 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.558 -21.386 8.115 1.00 0.00 H new ATOM 962 N HIS A 61 -9.318 -20.820 9.229 1.00 0.00 N ATOM 963 CA HIS A 61 -8.368 -20.508 8.158 1.00 0.00 C ATOM 964 C HIS A 61 -6.978 -20.235 8.731 1.00 0.00 C ATOM 965 O HIS A 61 -6.479 -19.109 8.664 1.00 0.00 O ATOM 966 CB HIS A 61 -8.853 -19.286 7.380 1.00 0.00 C ATOM 967 CG HIS A 61 -10.259 -19.527 6.903 1.00 0.00 C ATOM 968 ND1 HIS A 61 -10.549 -20.392 5.858 1.00 0.00 N ATOM 969 CD2 HIS A 61 -11.468 -19.025 7.316 1.00 0.00 C ATOM 970 CE1 HIS A 61 -11.882 -20.383 5.679 1.00 0.00 C ATOM 971 NE2 HIS A 61 -12.491 -19.565 6.543 1.00 0.00 N ATOM 0 H HIS A 61 -9.235 -20.225 10.054 1.00 0.00 H new ATOM 0 HA HIS A 61 -8.305 -21.366 7.489 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -8.818 -18.400 8.014 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.196 -19.097 6.531 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -11.605 -18.317 8.120 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -12.397 -20.965 4.929 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -13.491 -19.377 6.619 1.00 0.00 H new ATOM 979 N PRO A 62 -6.354 -21.238 9.294 1.00 0.00 N ATOM 980 CA PRO A 62 -4.996 -21.108 9.896 1.00 0.00 C ATOM 981 C PRO A 62 -3.906 -21.011 8.829 1.00 0.00 C ATOM 982 O PRO A 62 -2.772 -20.628 9.118 1.00 0.00 O ATOM 983 CB PRO A 62 -4.844 -22.385 10.739 1.00 0.00 C ATOM 984 CG PRO A 62 -5.743 -23.396 10.089 1.00 0.00 C ATOM 985 CD PRO A 62 -6.877 -22.613 9.412 1.00 0.00 C ATOM 0 HA PRO A 62 -4.891 -20.198 10.486 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.809 -22.728 10.751 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.133 -22.209 11.775 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.193 -23.989 9.358 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.141 -24.091 10.828 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.120 -23.031 8.435 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.790 -22.641 10.007 1.00 0.00 H new ATOM 993 N THR A 63 -4.258 -21.367 7.595 1.00 0.00 N ATOM 994 CA THR A 63 -3.302 -21.325 6.492 1.00 0.00 C ATOM 995 C THR A 63 -3.367 -19.980 5.776 1.00 0.00 C ATOM 996 O THR A 63 -2.467 -19.630 5.010 1.00 0.00 O ATOM 997 CB THR A 63 -3.605 -22.450 5.500 1.00 0.00 C ATOM 998 OG1 THR A 63 -4.829 -22.177 4.835 1.00 0.00 O ATOM 999 CG2 THR A 63 -3.714 -23.780 6.250 1.00 0.00 C ATOM 0 H THR A 63 -5.192 -21.686 7.335 1.00 0.00 H new ATOM 0 HA THR A 63 -2.299 -21.457 6.898 1.00 0.00 H new ATOM 0 HB THR A 63 -2.800 -22.514 4.767 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.023 -22.896 4.198 1.00 0.00 H new ATOM 0 HG21 THR A 63 -3.930 -24.580 5.542 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.773 -23.989 6.758 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.517 -23.719 6.984 1.00 0.00 H new ATOM 1007 N SER A 64 -4.433 -19.229 6.030 1.00 0.00 N ATOM 1008 CA SER A 64 -4.602 -17.924 5.403 1.00 0.00 C ATOM 1009 C SER A 64 -3.460 -16.990 5.792 1.00 0.00 C ATOM 1010 O SER A 64 -2.901 -16.292 4.947 1.00 0.00 O ATOM 1011 CB SER A 64 -5.933 -17.308 5.830 1.00 0.00 C ATOM 1012 OG SER A 64 -5.936 -15.925 5.508 1.00 0.00 O ATOM 0 H SER A 64 -5.188 -19.499 6.661 1.00 0.00 H new ATOM 0 HA SER A 64 -4.594 -18.059 4.321 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.758 -17.812 5.326 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.083 -17.444 6.901 1.00 0.00 H new ATOM 0 HG SER A 64 -6.790 -15.528 5.780 1.00 0.00 H new ATOM 1018 N GLY A 65 -3.121 -16.982 7.078 1.00 0.00 N ATOM 1019 CA GLY A 65 -2.045 -16.129 7.572 1.00 0.00 C ATOM 1020 C GLY A 65 -2.539 -14.703 7.797 1.00 0.00 C ATOM 1021 O GLY A 65 -1.920 -13.930 8.526 1.00 0.00 O ATOM 0 H GLY A 65 -3.573 -17.553 7.793 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.654 -16.534 8.505 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.222 -16.124 6.857 1.00 0.00 H new ATOM 1025 N ARG A 66 -3.656 -14.363 7.166 1.00 0.00 N ATOM 1026 CA ARG A 66 -4.225 -13.027 7.302 1.00 0.00 C ATOM 1027 C ARG A 66 -4.836 -12.843 8.686 1.00 0.00 C ATOM 1028 O ARG A 66 -5.028 -11.719 9.146 1.00 0.00 O ATOM 1029 CB ARG A 66 -5.296 -12.811 6.230 1.00 0.00 C ATOM 1030 CG ARG A 66 -4.676 -12.942 4.829 1.00 0.00 C ATOM 1031 CD ARG A 66 -3.986 -11.632 4.429 1.00 0.00 C ATOM 1032 NE ARG A 66 -3.473 -11.727 3.070 1.00 0.00 N ATOM 1033 CZ ARG A 66 -2.519 -10.908 2.643 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -2.028 -10.005 3.449 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -2.073 -11.007 1.423 1.00 0.00 N ATOM 0 H ARG A 66 -4.184 -14.989 6.558 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.429 -12.294 7.174 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.096 -13.541 6.352 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.745 -11.824 6.347 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.955 -13.759 4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.450 -13.190 4.103 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.691 -10.804 4.502 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.170 -11.417 5.119 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.851 -12.432 2.437 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.377 -9.930 4.404 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.295 -9.375 3.123 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.457 -11.714 0.796 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.340 -10.378 1.095 1.00 0.00 H new ATOM 1049 N ASN A 67 -5.137 -13.954 9.342 1.00 0.00 N ATOM 1050 CA ASN A 67 -5.727 -13.906 10.671 1.00 0.00 C ATOM 1051 C ASN A 67 -4.735 -13.315 11.670 1.00 0.00 C ATOM 1052 O ASN A 67 -5.129 -12.789 12.710 1.00 0.00 O ATOM 1053 CB ASN A 67 -6.129 -15.313 11.116 1.00 0.00 C ATOM 1054 CG ASN A 67 -7.389 -15.754 10.378 1.00 0.00 C ATOM 1055 OD1 ASN A 67 -8.210 -14.921 9.998 1.00 0.00 O ATOM 1056 ND2 ASN A 67 -7.587 -17.024 10.150 1.00 0.00 N ATOM 0 H ASN A 67 -4.983 -14.894 8.978 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.614 -13.273 10.635 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.317 -16.012 10.916 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.304 -15.327 12.192 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.425 -17.329 9.655 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.904 -17.712 10.467 1.00 0.00 H new ATOM 1063 N GLN A 68 -3.449 -13.408 11.347 1.00 0.00 N ATOM 1064 CA GLN A 68 -2.411 -12.881 12.228 1.00 0.00 C ATOM 1065 C GLN A 68 -2.794 -11.495 12.741 1.00 0.00 C ATOM 1066 O GLN A 68 -2.429 -11.113 13.853 1.00 0.00 O ATOM 1067 CB GLN A 68 -1.081 -12.800 11.476 1.00 0.00 C ATOM 1068 CG GLN A 68 -0.555 -14.212 11.208 1.00 0.00 C ATOM 1069 CD GLN A 68 0.760 -14.142 10.439 1.00 0.00 C ATOM 1070 OE1 GLN A 68 1.638 -13.350 10.782 1.00 0.00 O ATOM 1071 NE2 GLN A 68 0.952 -14.930 9.418 1.00 0.00 N ATOM 0 H GLN A 68 -3.102 -13.839 10.490 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.307 -13.554 13.079 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.216 -12.267 10.535 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.355 -12.236 12.061 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.407 -14.739 12.151 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.290 -14.780 10.637 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.223 -15.585 9.136 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.831 -14.891 8.902 1.00 0.00 H new ATOM 1080 N ALA A 69 -3.535 -10.751 11.928 1.00 0.00 N ATOM 1081 CA ALA A 69 -3.970 -9.413 12.314 1.00 0.00 C ATOM 1082 C ALA A 69 -5.043 -9.497 13.393 1.00 0.00 C ATOM 1083 O ALA A 69 -5.087 -8.674 14.302 1.00 0.00 O ATOM 1084 CB ALA A 69 -4.519 -8.671 11.093 1.00 0.00 C ATOM 0 H ALA A 69 -3.846 -11.049 11.003 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.114 -8.867 12.711 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.842 -7.673 11.389 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.740 -8.591 10.335 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.367 -9.220 10.684 1.00 0.00 H new ATOM 1090 N LEU A 70 -5.906 -10.497 13.288 1.00 0.00 N ATOM 1091 CA LEU A 70 -6.972 -10.683 14.268 1.00 0.00 C ATOM 1092 C LEU A 70 -6.393 -11.067 15.624 1.00 0.00 C ATOM 1093 O LEU A 70 -6.890 -10.646 16.665 1.00 0.00 O ATOM 1094 CB LEU A 70 -7.940 -11.762 13.793 1.00 0.00 C ATOM 1095 CG LEU A 70 -8.415 -11.437 12.373 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -9.351 -12.546 11.887 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -9.161 -10.091 12.371 1.00 0.00 C ATOM 0 H LEU A 70 -5.892 -11.190 12.539 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.510 -9.741 14.373 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.451 -12.736 13.810 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.794 -11.822 14.468 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.554 -11.369 11.708 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.691 -12.318 10.877 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.818 -13.497 11.885 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.211 -12.614 12.553 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.497 -9.863 11.360 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.023 -10.152 13.035 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.492 -9.303 12.717 1.00 0.00 H new ATOM 1109 N THR A 71 -5.341 -11.873 15.605 1.00 0.00 N ATOM 1110 CA THR A 71 -4.707 -12.315 16.843 1.00 0.00 C ATOM 1111 C THR A 71 -4.230 -11.120 17.661 1.00 0.00 C ATOM 1112 O THR A 71 -4.183 -11.177 18.890 1.00 0.00 O ATOM 1113 CB THR A 71 -3.518 -13.224 16.523 1.00 0.00 C ATOM 1114 OG1 THR A 71 -3.933 -14.245 15.624 1.00 0.00 O ATOM 1115 CG2 THR A 71 -2.996 -13.859 17.813 1.00 0.00 C ATOM 0 H THR A 71 -4.910 -12.233 14.754 1.00 0.00 H new ATOM 0 HA THR A 71 -5.442 -12.868 17.427 1.00 0.00 H new ATOM 0 HB THR A 71 -2.724 -12.635 16.064 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.172 -14.827 15.417 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.149 -14.506 17.583 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.678 -13.076 18.501 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.788 -14.448 18.275 1.00 0.00 H new ATOM 1123 N GLN A 72 -3.877 -10.041 16.974 1.00 0.00 N ATOM 1124 CA GLN A 72 -3.406 -8.839 17.652 1.00 0.00 C ATOM 1125 C GLN A 72 -4.495 -8.270 18.556 1.00 0.00 C ATOM 1126 O GLN A 72 -4.212 -7.778 19.648 1.00 0.00 O ATOM 1127 CB GLN A 72 -2.997 -7.790 16.619 1.00 0.00 C ATOM 1128 CG GLN A 72 -1.722 -8.244 15.905 1.00 0.00 C ATOM 1129 CD GLN A 72 -1.325 -7.222 14.843 1.00 0.00 C ATOM 1130 OE1 GLN A 72 -1.299 -6.023 15.115 1.00 0.00 O ATOM 1131 NE2 GLN A 72 -1.011 -7.630 13.644 1.00 0.00 N ATOM 0 H GLN A 72 -3.907 -9.973 15.957 1.00 0.00 H new ATOM 0 HA GLN A 72 -2.545 -9.102 18.266 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.799 -7.645 15.896 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.831 -6.830 17.107 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.914 -8.363 16.627 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.882 -9.218 15.442 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.034 -8.625 13.422 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.743 -6.954 12.929 1.00 0.00 H new ATOM 1140 N LEU A 73 -5.738 -8.341 18.097 1.00 0.00 N ATOM 1141 CA LEU A 73 -6.859 -7.828 18.875 1.00 0.00 C ATOM 1142 C LEU A 73 -6.992 -8.597 20.181 1.00 0.00 C ATOM 1143 O LEU A 73 -7.262 -8.016 21.231 1.00 0.00 O ATOM 1144 CB LEU A 73 -8.154 -7.954 18.062 1.00 0.00 C ATOM 1145 CG LEU A 73 -8.258 -6.798 17.049 1.00 0.00 C ATOM 1146 CD1 LEU A 73 -9.191 -7.197 15.905 1.00 0.00 C ATOM 1147 CD2 LEU A 73 -8.814 -5.536 17.732 1.00 0.00 C ATOM 0 H LEU A 73 -5.995 -8.746 17.197 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.677 -6.778 19.104 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.172 -8.910 17.538 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.015 -7.941 18.730 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.262 -6.587 16.660 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.262 -6.377 15.191 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.796 -8.081 15.405 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.181 -7.418 16.303 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.882 -4.728 17.004 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.805 -5.746 18.134 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.149 -5.239 18.543 1.00 0.00 H new ATOM 1159 N LYS A 74 -6.804 -9.905 20.113 1.00 0.00 N ATOM 1160 CA LYS A 74 -6.913 -10.732 21.306 1.00 0.00 C ATOM 1161 C LYS A 74 -5.955 -10.241 22.386 1.00 0.00 C ATOM 1162 O LYS A 74 -6.348 -10.047 23.535 1.00 0.00 O ATOM 1163 CB LYS A 74 -6.585 -12.186 20.956 1.00 0.00 C ATOM 1164 CG LYS A 74 -6.706 -13.064 22.207 1.00 0.00 C ATOM 1165 CD LYS A 74 -6.415 -14.518 21.843 1.00 0.00 C ATOM 1166 CE LYS A 74 -6.513 -15.383 23.101 1.00 0.00 C ATOM 1167 NZ LYS A 74 -6.244 -16.805 22.749 1.00 0.00 N ATOM 0 H LYS A 74 -6.578 -10.412 19.257 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.933 -10.666 21.684 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.264 -12.545 20.182 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.575 -12.253 20.551 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.008 -12.723 22.972 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.707 -12.978 22.629 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.124 -14.866 21.092 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.420 -14.603 21.405 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.796 -15.040 23.847 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.504 -15.288 23.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.311 -17.393 23.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.944 -17.128 22.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.289 -16.888 22.345 1.00 0.00 H new ATOM 1181 N GLU A 75 -4.699 -10.042 22.009 1.00 0.00 N ATOM 1182 CA GLU A 75 -3.695 -9.571 22.955 1.00 0.00 C ATOM 1183 C GLU A 75 -3.986 -8.137 23.379 1.00 0.00 C ATOM 1184 O GLU A 75 -3.741 -7.756 24.524 1.00 0.00 O ATOM 1185 CB GLU A 75 -2.302 -9.651 22.326 1.00 0.00 C ATOM 1186 CG GLU A 75 -1.922 -11.117 22.117 1.00 0.00 C ATOM 1187 CD GLU A 75 -0.570 -11.210 21.417 1.00 0.00 C ATOM 1188 OE1 GLU A 75 0.005 -10.171 21.142 1.00 0.00 O ATOM 1189 OE2 GLU A 75 -0.129 -12.320 21.169 1.00 0.00 O ATOM 0 H GLU A 75 -4.352 -10.198 21.062 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.729 -10.210 23.837 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.290 -9.122 21.373 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.571 -9.163 22.971 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.880 -11.631 23.077 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.685 -11.618 21.521 1.00 0.00 H new ATOM 1196 N GLN A 76 -4.499 -7.341 22.446 1.00 0.00 N ATOM 1197 CA GLN A 76 -4.803 -5.945 22.736 1.00 0.00 C ATOM 1198 C GLN A 76 -5.888 -5.841 23.804 1.00 0.00 C ATOM 1199 O GLN A 76 -5.710 -5.169 24.819 1.00 0.00 O ATOM 1200 CB GLN A 76 -5.275 -5.241 21.460 1.00 0.00 C ATOM 1201 CG GLN A 76 -5.372 -3.733 21.701 1.00 0.00 C ATOM 1202 CD GLN A 76 -3.978 -3.152 21.916 1.00 0.00 C ATOM 1203 OE1 GLN A 76 -3.027 -3.560 21.251 1.00 0.00 O ATOM 1204 NE2 GLN A 76 -3.800 -2.221 22.811 1.00 0.00 N ATOM 0 H GLN A 76 -4.711 -7.635 21.493 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.897 -5.465 23.107 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.581 -5.444 20.645 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.246 -5.633 21.156 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.850 -3.250 20.849 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.997 -3.534 22.572 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.590 -1.885 23.361 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.870 -1.829 22.961 1.00 0.00 H new ATOM 1213 N VAL A 77 -7.008 -6.515 23.569 1.00 0.00 N ATOM 1214 CA VAL A 77 -8.113 -6.494 24.521 1.00 0.00 C ATOM 1215 C VAL A 77 -7.671 -7.072 25.860 1.00 0.00 C ATOM 1216 O VAL A 77 -7.983 -6.524 26.917 1.00 0.00 O ATOM 1217 CB VAL A 77 -9.294 -7.301 23.972 1.00 0.00 C ATOM 1218 CG1 VAL A 77 -10.390 -7.399 25.037 1.00 0.00 C ATOM 1219 CG2 VAL A 77 -9.854 -6.606 22.727 1.00 0.00 C ATOM 0 H VAL A 77 -7.175 -7.078 22.735 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.424 -5.460 24.670 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.955 -8.303 23.708 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.229 -7.973 24.644 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -9.993 -7.895 25.923 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -10.729 -6.398 25.303 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -10.694 -7.180 22.337 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -10.191 -5.603 22.991 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -9.076 -6.539 21.967 1.00 0.00 H new ATOM 1229 N THR A 78 -6.947 -8.183 25.808 1.00 0.00 N ATOM 1230 CA THR A 78 -6.474 -8.831 27.026 1.00 0.00 C ATOM 1231 C THR A 78 -5.609 -7.876 27.840 1.00 0.00 C ATOM 1232 O THR A 78 -5.754 -7.777 29.059 1.00 0.00 O ATOM 1233 CB THR A 78 -5.663 -10.079 26.671 1.00 0.00 C ATOM 1234 OG1 THR A 78 -6.500 -11.013 26.003 1.00 0.00 O ATOM 1235 CG2 THR A 78 -5.105 -10.712 27.948 1.00 0.00 C ATOM 0 H THR A 78 -6.676 -8.651 24.943 1.00 0.00 H new ATOM 0 HA THR A 78 -7.340 -9.117 27.623 1.00 0.00 H new ATOM 0 HB THR A 78 -4.836 -9.799 26.018 1.00 0.00 H new ATOM 0 HG1 THR A 78 -6.365 -10.939 25.035 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.528 -11.601 27.692 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.461 -9.996 28.458 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.928 -10.991 28.605 1.00 0.00 H new ATOM 1243 N SER A 79 -4.707 -7.176 27.161 1.00 0.00 N ATOM 1244 CA SER A 79 -3.825 -6.231 27.836 1.00 0.00 C ATOM 1245 C SER A 79 -4.626 -5.077 28.431 1.00 0.00 C ATOM 1246 O SER A 79 -4.287 -4.556 29.493 1.00 0.00 O ATOM 1247 CB SER A 79 -2.797 -5.682 26.845 1.00 0.00 C ATOM 1248 OG SER A 79 -3.474 -5.041 25.773 1.00 0.00 O ATOM 0 H SER A 79 -4.568 -7.244 26.153 1.00 0.00 H new ATOM 0 HA SER A 79 -3.312 -6.754 28.643 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.134 -4.976 27.345 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.173 -6.491 26.465 1.00 0.00 H new ATOM 0 HG SER A 79 -4.375 -5.417 25.684 1.00 0.00 H new ATOM 1254 N ALA A 80 -5.690 -4.682 27.741 1.00 0.00 N ATOM 1255 CA ALA A 80 -6.530 -3.587 28.213 1.00 0.00 C ATOM 1256 C ALA A 80 -7.141 -3.919 29.568 1.00 0.00 C ATOM 1257 O ALA A 80 -7.226 -3.063 30.448 1.00 0.00 O ATOM 1258 CB ALA A 80 -7.644 -3.310 27.200 1.00 0.00 C ATOM 0 H ALA A 80 -5.990 -5.099 26.860 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.907 -2.699 28.321 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.267 -2.491 27.559 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.204 -3.037 26.241 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.255 -4.204 27.078 1.00 0.00 H new ATOM 1264 N LEU A 81 -7.565 -5.163 29.728 1.00 0.00 N ATOM 1265 CA LEU A 81 -8.171 -5.601 30.979 1.00 0.00 C ATOM 1266 C LEU A 81 -7.146 -5.578 32.107 1.00 0.00 C ATOM 1267 O LEU A 81 -7.497 -5.412 33.275 1.00 0.00 O ATOM 1268 CB LEU A 81 -8.727 -7.008 30.817 1.00 0.00 C ATOM 1269 CG LEU A 81 -9.787 -7.017 29.709 1.00 0.00 C ATOM 1270 CD1 LEU A 81 -10.187 -8.467 29.400 1.00 0.00 C ATOM 1271 CD2 LEU A 81 -11.033 -6.223 30.147 1.00 0.00 C ATOM 0 H LEU A 81 -7.502 -5.886 29.011 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.982 -4.918 31.231 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.923 -7.702 30.571 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.165 -7.347 31.756 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.369 -6.549 28.818 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.941 -8.477 28.613 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.310 -9.024 29.070 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.595 -8.931 30.298 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.775 -6.240 29.348 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.456 -6.675 31.044 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.751 -5.191 30.359 1.00 0.00 H new ATOM 1283 N GLY A 82 -5.877 -5.747 31.748 1.00 0.00 N ATOM 1284 CA GLY A 82 -4.795 -5.749 32.731 1.00 0.00 C ATOM 1285 C GLY A 82 -4.519 -7.157 33.251 1.00 0.00 C ATOM 1286 O GLY A 82 -3.796 -7.333 34.229 1.00 0.00 O ATOM 0 H GLY A 82 -5.571 -5.884 30.785 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.890 -5.342 32.279 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.057 -5.096 33.564 1.00 0.00 H new ATOM 1290 N LEU A 83 -5.088 -8.152 32.581 1.00 0.00 N ATOM 1291 CA LEU A 83 -4.879 -9.539 32.981 1.00 0.00 C ATOM 1292 C LEU A 83 -3.434 -9.954 32.740 1.00 0.00 C ATOM 1293 O LEU A 83 -2.842 -10.663 33.551 1.00 0.00 O ATOM 1294 CB LEU A 83 -5.836 -10.473 32.210 1.00 0.00 C ATOM 1295 CG LEU A 83 -7.164 -10.655 32.972 1.00 0.00 C ATOM 1296 CD1 LEU A 83 -8.057 -9.423 32.787 1.00 0.00 C ATOM 1297 CD2 LEU A 83 -7.888 -11.897 32.437 1.00 0.00 C ATOM 0 H LEU A 83 -5.691 -8.028 31.768 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.091 -9.623 34.047 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.034 -10.060 31.221 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.362 -11.443 32.062 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.951 -10.779 34.034 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.991 -9.566 33.330 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.545 -8.541 33.171 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.271 -9.285 31.727 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.828 -12.030 32.973 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.092 -11.770 31.374 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.260 -12.776 32.583 1.00 0.00 H new ATOM 1309 N GLU A 84 -2.879 -9.515 31.621 1.00 0.00 N ATOM 1310 CA GLU A 84 -1.507 -9.854 31.283 1.00 0.00 C ATOM 1311 C GLU A 84 -1.338 -11.370 31.210 1.00 0.00 C ATOM 1312 O GLU A 84 -1.344 -12.055 32.233 1.00 0.00 O ATOM 1313 CB GLU A 84 -0.555 -9.278 32.332 1.00 0.00 C ATOM 1314 CG GLU A 84 0.889 -9.527 31.899 1.00 0.00 C ATOM 1315 CD GLU A 84 1.846 -8.919 32.918 1.00 0.00 C ATOM 1316 OE1 GLU A 84 1.398 -8.111 33.714 1.00 0.00 O ATOM 1317 OE2 GLU A 84 3.014 -9.270 32.886 1.00 0.00 O ATOM 0 H GLU A 84 -3.354 -8.927 30.936 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.271 -9.426 30.309 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.731 -8.209 32.451 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.741 -9.741 33.301 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.072 -10.598 31.809 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.064 -9.090 30.916 1.00 0.00 H new ATOM 1324 N HIS A 85 -1.183 -11.885 29.994 1.00 0.00 N ATOM 1325 CA HIS A 85 -1.009 -13.322 29.800 1.00 0.00 C ATOM 1326 C HIS A 85 0.396 -13.750 30.215 1.00 0.00 C ATOM 1327 O HIS A 85 1.361 -13.007 30.033 1.00 0.00 O ATOM 1328 CB HIS A 85 -1.242 -13.683 28.333 1.00 0.00 C ATOM 1329 CG HIS A 85 -0.243 -12.959 27.473 1.00 0.00 C ATOM 1330 ND1 HIS A 85 0.805 -13.614 26.848 1.00 0.00 N ATOM 1331 CD2 HIS A 85 -0.120 -11.637 27.124 1.00 0.00 C ATOM 1332 CE1 HIS A 85 1.507 -12.695 26.162 1.00 0.00 C ATOM 1333 NE2 HIS A 85 0.986 -11.473 26.296 1.00 0.00 N ATOM 0 H HIS A 85 -1.174 -11.335 29.135 1.00 0.00 H new ATOM 0 HA HIS A 85 -1.736 -13.845 30.421 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -1.146 -14.760 28.193 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -2.256 -13.412 28.038 1.00 0.00 H new ATOM 0 HD1 HIS A 85 1.008 -14.612 26.899 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -0.781 -10.845 27.443 1.00 0.00 H new ATOM 0 HE1 HIS A 85 2.385 -12.918 25.574 1.00 0.00 H new ATOM 1341 N HIS A 86 0.503 -14.950 30.777 1.00 0.00 N ATOM 1342 CA HIS A 86 1.794 -15.464 31.216 1.00 0.00 C ATOM 1343 C HIS A 86 2.762 -15.558 30.041 1.00 0.00 C ATOM 1344 O HIS A 86 3.914 -15.134 30.137 1.00 0.00 O ATOM 1345 CB HIS A 86 1.617 -16.850 31.840 1.00 0.00 C ATOM 1346 CG HIS A 86 2.947 -17.356 32.327 1.00 0.00 C ATOM 1347 ND1 HIS A 86 3.522 -16.905 33.505 1.00 0.00 N ATOM 1348 CD2 HIS A 86 3.827 -18.273 31.808 1.00 0.00 C ATOM 1349 CE1 HIS A 86 4.696 -17.545 33.654 1.00 0.00 C ATOM 1350 NE2 HIS A 86 4.931 -18.390 32.647 1.00 0.00 N ATOM 0 H HIS A 86 -0.283 -15.580 30.938 1.00 0.00 H new ATOM 0 HA HIS A 86 2.204 -14.778 31.957 1.00 0.00 H new ATOM 0 HB2 HIS A 86 0.910 -16.800 32.668 1.00 0.00 H new ATOM 0 HB3 HIS A 86 1.200 -17.540 31.106 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.684 -18.821 30.888 1.00 0.00 H new ATOM 0 HE1 HIS A 86 5.367 -17.394 34.487 1.00 0.00 H new ATOM 0 HE2 HIS A 86 5.745 -18.992 32.520 1.00 0.00 H new ATOM 1358 N HIS A 87 2.287 -16.114 28.932 1.00 0.00 N ATOM 1359 CA HIS A 87 3.121 -16.253 27.743 1.00 0.00 C ATOM 1360 C HIS A 87 2.267 -16.603 26.529 1.00 0.00 C ATOM 1361 O HIS A 87 1.971 -15.742 25.702 1.00 0.00 O ATOM 1362 CB HIS A 87 4.171 -17.343 27.966 1.00 0.00 C ATOM 1363 CG HIS A 87 5.080 -17.416 26.770 1.00 0.00 C ATOM 1364 ND1 HIS A 87 5.585 -18.480 26.065 1.00 0.00 N flip ATOM 1365 CD2 HIS A 87 5.587 -16.281 26.156 1.00 0.00 C flip ATOM 1366 CE1 HIS A 87 6.392 -18.016 25.031 1.00 0.00 C flip ATOM 1367 NE2 HIS A 87 6.360 -16.684 25.131 1.00 0.00 N flip ATOM 0 H HIS A 87 1.338 -16.473 28.831 1.00 0.00 H new ATOM 0 HA HIS A 87 3.621 -15.302 27.558 1.00 0.00 H new ATOM 0 HB2 HIS A 87 4.750 -17.127 28.864 1.00 0.00 H new ATOM 0 HB3 HIS A 87 3.684 -18.305 28.125 1.00 0.00 H new ATOM 0 HD1 HIS A 87 5.397 -19.462 26.268 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.396 -15.259 26.448 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.929 -18.606 24.303 1.00 0.00 H new ATOM 1375 N HIS A 88 1.876 -17.870 26.435 1.00 0.00 N ATOM 1376 CA HIS A 88 1.053 -18.328 25.320 1.00 0.00 C ATOM 1377 C HIS A 88 1.721 -18.002 23.989 1.00 0.00 C ATOM 1378 O HIS A 88 1.849 -16.836 23.616 1.00 0.00 O ATOM 1379 CB HIS A 88 -0.324 -17.663 25.378 1.00 0.00 C ATOM 1380 CG HIS A 88 -1.088 -18.197 26.556 1.00 0.00 C ATOM 1381 ND1 HIS A 88 -0.893 -17.719 27.843 1.00 0.00 N ATOM 1382 CD2 HIS A 88 -2.054 -19.166 26.660 1.00 0.00 C ATOM 1383 CE1 HIS A 88 -1.722 -18.395 28.657 1.00 0.00 C ATOM 1384 NE2 HIS A 88 -2.453 -19.291 27.987 1.00 0.00 N ATOM 0 H HIS A 88 2.114 -18.594 27.113 1.00 0.00 H new ATOM 0 HA HIS A 88 0.938 -19.409 25.400 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -0.214 -16.582 25.462 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.873 -17.857 24.456 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.445 -19.744 25.836 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.789 -18.234 29.723 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -3.153 -19.929 28.367 1.00 0.00 H new ATOM 1392 N HIS A 89 2.147 -19.039 23.272 1.00 0.00 N ATOM 1393 CA HIS A 89 2.802 -18.846 21.981 1.00 0.00 C ATOM 1394 C HIS A 89 2.580 -20.059 21.085 1.00 0.00 C ATOM 1395 O HIS A 89 2.386 -21.174 21.570 1.00 0.00 O ATOM 1396 CB HIS A 89 4.304 -18.632 22.185 1.00 0.00 C ATOM 1397 CG HIS A 89 4.912 -19.870 22.782 1.00 0.00 C ATOM 1398 ND1 HIS A 89 4.687 -20.246 24.097 1.00 0.00 N ATOM 1399 CD2 HIS A 89 5.742 -20.828 22.256 1.00 0.00 C ATOM 1400 CE1 HIS A 89 5.369 -21.386 24.315 1.00 0.00 C ATOM 1401 NE2 HIS A 89 6.030 -21.784 23.225 1.00 0.00 N ATOM 0 H HIS A 89 2.052 -20.013 23.560 1.00 0.00 H new ATOM 0 HA HIS A 89 2.370 -17.967 21.502 1.00 0.00 H new ATOM 0 HB2 HIS A 89 4.782 -18.403 21.232 1.00 0.00 H new ATOM 0 HB3 HIS A 89 4.474 -17.778 22.841 1.00 0.00 H new ATOM 0 HD1 HIS A 89 4.110 -19.749 24.776 1.00 0.00 H new ATOM 0 HD2 HIS A 89 6.115 -20.838 21.243 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.380 -21.914 25.257 1.00 0.00 H new ATOM 1409 N HIS A 90 2.608 -19.834 19.775 1.00 0.00 N ATOM 1410 CA HIS A 90 2.409 -20.917 18.820 1.00 0.00 C ATOM 1411 C HIS A 90 3.577 -21.895 18.866 1.00 0.00 C ATOM 1412 O HIS A 90 4.705 -21.438 18.952 1.00 0.00 O ATOM 1413 CB HIS A 90 2.272 -20.348 17.407 1.00 0.00 C ATOM 1414 CG HIS A 90 0.964 -19.613 17.285 1.00 0.00 C ATOM 1415 ND1 HIS A 90 -0.255 -20.275 17.278 1.00 0.00 N ATOM 1416 CD2 HIS A 90 0.667 -18.279 17.163 1.00 0.00 C ATOM 1417 CE1 HIS A 90 -1.220 -19.346 17.156 1.00 0.00 C ATOM 1418 NE2 HIS A 90 -0.712 -18.113 17.081 1.00 0.00 N ATOM 1419 OXT HIS A 90 3.327 -23.088 18.814 1.00 0.00 O ATOM 0 H HIS A 90 2.765 -18.919 19.354 1.00 0.00 H new ATOM 0 HA HIS A 90 1.496 -21.448 19.088 1.00 0.00 H new ATOM 0 HB2 HIS A 90 3.101 -19.674 17.193 1.00 0.00 H new ATOM 0 HB3 HIS A 90 2.319 -21.153 16.674 1.00 0.00 H new ATOM 0 HD2 HIS A 90 1.393 -17.480 17.135 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -2.276 -19.570 17.123 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -1.225 -17.237 16.984 1.00 0.00 H new TER 1427 HIS A 90