USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 714 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 82 MET CE :methyl 177:sc= -2.13 (180deg=-1.62) USER MOD Set 1.2: A 96 MET CE :methyl -169:sc= -1.15 (180deg=-0.146) USER MOD Set 2.1: A 63 CYS SG : rot 180:sc= 0.739 USER MOD Set 2.2: A 90 CYS SG : rot -33:sc= 0.872 USER MOD Set 3.1: A 76 THR OG1 : rot 85:sc= 1.27 USER MOD Set 3.2: A 83 ASN : amide:sc= -0.479! C(o=0.79!,f=-3.5!) USER MOD Set 4.1: A 75 ASN : amide:sc= 0.17 K(o=0.9,f=-5.2!) USER MOD Set 4.2: A 78 SER OG : rot -154:sc= 0.726 USER MOD Set 5.1: A 32 THR OG1 : rot 119:sc= 0.865 USER MOD Set 5.2: A 50 THR OG1 : rot 180:sc= 0.755 USER MOD Set 6.1: A 43 TYR OH : rot 29:sc= 1.24 USER MOD Set 6.2: A 46 THR OG1 : rot -61:sc= 2.28 USER MOD Set 7.1: A 40 ASN : amide:sc= -0.427 X(o=-0.61,f=-0.48) USER MOD Set 7.2: A 120 MET CE :methyl 178:sc= -0.18 (180deg=-0.204) USER MOD Single : A 26 GLN :FLIP amide:sc= 0.216 F(o=-2.8!,f=0.22) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 MET CE :methyl -156:sc=-0.00383 (180deg=-0.795) USER MOD Single : A 52 ASN : amide:sc= -0.063 X(o=-0.063,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0908 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -2.67! C(o=-2.7!,f=-4.4!) USER MOD Single : A 65 THR OG1 : rot 138:sc= 1.38 USER MOD Single : A 68 GLN : amide:sc= -0.0111 K(o=-0.011,f=-5.6!) USER MOD Single : A 71 SER OG : rot 72:sc= 0.0362 USER MOD Single : A 72 MET CE :methyl -160:sc= -0.905 (180deg=-1.23) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.0164 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0738 USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.165 F(o=-0.81,f=-0.17) USER MOD Single : A 108 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.59) USER MOD Single : A 109 GLN : amide:sc= 0.746 K(o=0.75,f=0) USER MOD Single : A 112 ASN : amide:sc= -0.145 K(o=-0.15,f=-4.3!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.27) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N GLN A 26 -6.975 -12.754 -10.579 1.00 0.00 N ATOM 9 CA GLN A 26 -7.599 -13.508 -9.478 1.00 0.00 C ATOM 10 C GLN A 26 -7.057 -14.947 -9.487 1.00 0.00 C ATOM 11 O GLN A 26 -6.454 -15.369 -10.474 1.00 0.00 O ATOM 12 CB GLN A 26 -9.142 -13.351 -9.518 1.00 0.00 C ATOM 13 CG GLN A 26 -9.989 -13.975 -8.393 1.00 0.00 C ATOM 14 CD GLN A 26 -9.876 -13.370 -6.990 1.00 0.00 C ATOM 15 OE1 GLN A 26 -8.701 -13.275 -6.394 1.00 0.00 O flip ATOM 16 NE2 GLN A 26 -10.883 -13.054 -6.367 1.00 0.00 N flip ATOM 0 HA GLN A 26 -7.326 -13.104 -8.503 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.363 -12.284 -9.542 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.490 -13.770 -10.462 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.035 -13.925 -8.695 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.727 -15.031 -8.324 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.799 -13.121 -6.811 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.805 -12.724 -5.405 1.00 0.00 H new ATOM 25 N GLU A 27 -7.350 -15.810 -8.501 1.00 0.00 N ATOM 26 CA GLU A 27 -6.447 -16.706 -7.727 1.00 0.00 C ATOM 27 C GLU A 27 -6.023 -16.330 -6.306 1.00 0.00 C ATOM 28 O GLU A 27 -5.058 -16.890 -5.776 1.00 0.00 O ATOM 29 CB GLU A 27 -5.090 -16.850 -8.465 1.00 0.00 C ATOM 30 CG GLU A 27 -4.191 -15.565 -8.430 1.00 0.00 C ATOM 31 CD GLU A 27 -2.831 -15.733 -9.119 1.00 0.00 C ATOM 32 OE1 GLU A 27 -1.959 -14.871 -8.886 1.00 0.00 O ATOM 33 OE2 GLU A 27 -2.622 -16.735 -9.849 1.00 0.00 O ATOM 0 H GLU A 27 -8.315 -15.915 -8.188 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.084 -17.587 -7.649 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.536 -17.678 -8.022 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.283 -17.115 -9.505 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.729 -14.745 -8.906 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.027 -15.278 -7.391 1.00 0.00 H new ATOM 41 N LEU A 28 -6.790 -15.489 -5.623 1.00 0.00 N ATOM 42 CA LEU A 28 -6.510 -15.245 -4.208 1.00 0.00 C ATOM 43 C LEU A 28 -7.726 -14.620 -3.492 1.00 0.00 C ATOM 44 O LEU A 28 -7.994 -13.435 -3.685 1.00 0.00 O ATOM 45 CB LEU A 28 -5.203 -14.418 -4.077 1.00 0.00 C ATOM 46 CG LEU A 28 -4.100 -15.135 -3.274 1.00 0.00 C ATOM 47 CD1 LEU A 28 -2.809 -14.322 -3.186 1.00 0.00 C ATOM 48 CD2 LEU A 28 -4.583 -15.400 -1.862 1.00 0.00 C ATOM 0 H LEU A 28 -7.585 -14.978 -6.006 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.342 -16.191 -3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.826 -14.189 -5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.431 -13.467 -3.597 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.886 -16.064 -3.803 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.069 -14.876 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.425 -14.139 -4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.012 -13.370 -2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.800 -15.907 -1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.825 -14.454 -1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.472 -16.029 -1.894 1.00 0.00 H new ATOM 60 N PRO A 29 -8.511 -15.386 -2.710 1.00 0.00 N ATOM 61 CA PRO A 29 -9.740 -14.896 -2.075 1.00 0.00 C ATOM 62 C PRO A 29 -9.409 -13.962 -0.893 1.00 0.00 C ATOM 63 O PRO A 29 -8.359 -14.151 -0.276 1.00 0.00 O ATOM 64 CB PRO A 29 -10.478 -16.158 -1.617 1.00 0.00 C ATOM 65 CG PRO A 29 -9.348 -17.147 -1.329 1.00 0.00 C ATOM 66 CD PRO A 29 -8.261 -16.767 -2.334 1.00 0.00 C ATOM 0 HA PRO A 29 -10.352 -14.303 -2.754 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.083 -15.970 -0.730 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -11.152 -16.531 -2.388 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.992 -17.058 -0.303 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.675 -18.178 -1.465 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.270 -16.876 -1.893 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.295 -17.419 -3.207 1.00 0.00 H new ATOM 74 N PRO A 30 -10.263 -12.976 -0.558 1.00 0.00 N ATOM 75 CA PRO A 30 -9.944 -11.889 0.361 1.00 0.00 C ATOM 76 C PRO A 30 -9.877 -12.317 1.838 1.00 0.00 C ATOM 77 O PRO A 30 -10.317 -13.411 2.201 1.00 0.00 O ATOM 78 CB PRO A 30 -11.005 -10.825 0.111 1.00 0.00 C ATOM 79 CG PRO A 30 -12.221 -11.639 -0.306 1.00 0.00 C ATOM 80 CD PRO A 30 -11.588 -12.776 -1.108 1.00 0.00 C ATOM 0 HA PRO A 30 -8.938 -11.514 0.170 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.203 -10.235 1.006 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.700 -10.128 -0.669 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -12.778 -12.009 0.555 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.916 -11.054 -0.908 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.183 -13.686 -1.028 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -11.535 -12.522 -2.167 1.00 0.00 H new ATOM 88 N GLY A 31 -9.370 -11.440 2.712 1.00 0.00 N ATOM 89 CA GLY A 31 -9.114 -11.747 4.117 1.00 0.00 C ATOM 90 C GLY A 31 -8.197 -10.697 4.742 1.00 0.00 C ATOM 91 O GLY A 31 -8.386 -9.501 4.517 1.00 0.00 O ATOM 0 H GLY A 31 -9.124 -10.484 2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.056 -11.785 4.663 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.657 -12.733 4.201 1.00 0.00 H new ATOM 95 N THR A 32 -7.203 -11.111 5.530 1.00 0.00 N ATOM 96 CA THR A 32 -6.142 -10.232 6.023 1.00 0.00 C ATOM 97 C THR A 32 -4.822 -11.016 6.092 1.00 0.00 C ATOM 98 O THR A 32 -4.820 -12.165 6.534 1.00 0.00 O ATOM 99 CB THR A 32 -6.600 -9.606 7.348 1.00 0.00 C ATOM 100 OG1 THR A 32 -5.718 -8.595 7.776 1.00 0.00 O ATOM 101 CG2 THR A 32 -6.737 -10.625 8.470 1.00 0.00 C ATOM 0 H THR A 32 -7.111 -12.076 5.847 1.00 0.00 H new ATOM 0 HA THR A 32 -5.947 -9.399 5.347 1.00 0.00 H new ATOM 0 HB THR A 32 -7.582 -9.183 7.138 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.198 -7.742 7.825 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.063 -10.122 9.380 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.472 -11.379 8.189 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.774 -11.104 8.646 1.00 0.00 H new ATOM 109 N TYR A 33 -3.720 -10.442 5.597 1.00 0.00 N ATOM 110 CA TYR A 33 -2.433 -11.127 5.422 1.00 0.00 C ATOM 111 C TYR A 33 -1.355 -10.420 6.245 1.00 0.00 C ATOM 112 O TYR A 33 -1.250 -9.196 6.207 1.00 0.00 O ATOM 113 CB TYR A 33 -2.061 -11.341 3.930 1.00 0.00 C ATOM 114 CG TYR A 33 -2.235 -10.216 2.905 1.00 0.00 C ATOM 115 CD1 TYR A 33 -1.524 -9.009 2.993 1.00 0.00 C ATOM 116 CD2 TYR A 33 -2.962 -10.442 1.718 1.00 0.00 C ATOM 117 CE1 TYR A 33 -1.597 -8.042 1.977 1.00 0.00 C ATOM 118 CE2 TYR A 33 -3.100 -9.445 0.731 1.00 0.00 C ATOM 119 CZ TYR A 33 -2.415 -8.229 0.852 1.00 0.00 C ATOM 120 OH TYR A 33 -2.462 -7.278 -0.122 1.00 0.00 O ATOM 0 H TYR A 33 -3.697 -9.466 5.300 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.520 -12.141 5.812 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.013 -11.640 3.902 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.644 -12.190 3.574 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.908 -8.820 3.860 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.425 -11.405 1.561 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.013 -7.138 2.063 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.737 -9.620 -0.123 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.076 -7.565 -0.830 1.00 0.00 H new ATOM 130 N ARG A 34 -0.599 -11.169 7.054 1.00 0.00 N ATOM 131 CA ARG A 34 0.414 -10.652 7.976 1.00 0.00 C ATOM 132 C ARG A 34 1.738 -10.558 7.245 1.00 0.00 C ATOM 133 O ARG A 34 2.304 -11.596 6.909 1.00 0.00 O ATOM 134 CB ARG A 34 0.493 -11.553 9.215 1.00 0.00 C ATOM 135 CG ARG A 34 1.315 -10.979 10.376 1.00 0.00 C ATOM 136 CD ARG A 34 2.803 -10.777 10.081 1.00 0.00 C ATOM 137 NE ARG A 34 3.597 -10.778 11.319 1.00 0.00 N ATOM 138 CZ ARG A 34 4.933 -10.692 11.387 1.00 0.00 C ATOM 139 NH1 ARG A 34 5.699 -10.684 10.306 1.00 0.00 N ATOM 140 NH2 ARG A 34 5.520 -10.581 12.569 1.00 0.00 N ATOM 0 H ARG A 34 -0.679 -12.185 7.085 1.00 0.00 H new ATOM 0 HA ARG A 34 0.149 -9.653 8.322 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.519 -11.751 9.568 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.922 -12.511 8.923 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.885 -10.020 10.666 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.218 -11.645 11.234 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.156 -11.568 9.419 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.947 -9.833 9.555 1.00 0.00 H new ATOM 0 HE ARG A 34 3.088 -10.850 12.200 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.275 -10.745 9.380 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.712 -10.617 10.400 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.956 -10.562 13.419 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.536 -10.515 12.630 1.00 0.00 H new ATOM 154 N VAL A 35 2.223 -9.346 6.996 1.00 0.00 N ATOM 155 CA VAL A 35 3.316 -9.064 6.079 1.00 0.00 C ATOM 156 C VAL A 35 4.049 -7.793 6.473 1.00 0.00 C ATOM 157 O VAL A 35 3.579 -7.019 7.317 1.00 0.00 O ATOM 158 CB VAL A 35 2.746 -8.982 4.647 1.00 0.00 C ATOM 159 CG1 VAL A 35 2.177 -10.334 4.187 1.00 0.00 C ATOM 160 CG2 VAL A 35 1.663 -7.891 4.550 1.00 0.00 C ATOM 0 H VAL A 35 1.852 -8.507 7.443 1.00 0.00 H new ATOM 0 HA VAL A 35 4.052 -9.867 6.123 1.00 0.00 H new ATOM 0 HB VAL A 35 3.571 -8.719 3.984 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.785 -10.238 3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.967 -11.085 4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.375 -10.639 4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.276 -7.852 3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.850 -8.123 5.238 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.095 -6.925 4.811 1.00 0.00 H new ATOM 170 N ASP A 36 5.193 -7.578 5.822 1.00 0.00 N ATOM 171 CA ASP A 36 6.010 -6.391 6.009 1.00 0.00 C ATOM 172 C ASP A 36 5.806 -5.515 4.793 1.00 0.00 C ATOM 173 O ASP A 36 6.175 -5.895 3.680 1.00 0.00 O ATOM 174 CB ASP A 36 7.507 -6.646 6.235 1.00 0.00 C ATOM 175 CG ASP A 36 7.867 -7.726 7.256 1.00 0.00 C ATOM 176 OD1 ASP A 36 7.126 -7.867 8.257 1.00 0.00 O ATOM 177 OD2 ASP A 36 8.899 -8.412 7.092 1.00 0.00 O ATOM 0 H ASP A 36 5.578 -8.235 5.143 1.00 0.00 H new ATOM 0 HA ASP A 36 5.683 -5.916 6.934 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.955 -6.917 5.279 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.969 -5.710 6.550 1.00 0.00 H new ATOM 183 N ILE A 37 5.188 -4.355 4.997 1.00 0.00 N ATOM 184 CA ILE A 37 5.060 -3.325 3.986 1.00 0.00 C ATOM 185 C ILE A 37 6.474 -2.907 3.615 1.00 0.00 C ATOM 186 O ILE A 37 7.212 -2.424 4.474 1.00 0.00 O ATOM 187 CB ILE A 37 4.195 -2.152 4.516 1.00 0.00 C ATOM 188 CG1 ILE A 37 2.746 -2.595 4.844 1.00 0.00 C ATOM 189 CG2 ILE A 37 4.132 -1.000 3.493 1.00 0.00 C ATOM 190 CD1 ILE A 37 2.522 -3.091 6.277 1.00 0.00 C ATOM 0 H ILE A 37 4.757 -4.106 5.887 1.00 0.00 H new ATOM 0 HA ILE A 37 4.544 -3.684 3.095 1.00 0.00 H new ATOM 0 HB ILE A 37 4.677 -1.811 5.432 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.076 -1.755 4.659 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.461 -3.389 4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.519 -0.192 3.892 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.139 -0.630 3.299 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.694 -1.363 2.563 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.478 -3.376 6.404 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.160 -3.954 6.467 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.769 -2.296 6.980 1.00 0.00 H new ATOM 202 N TYR A 38 6.833 -3.081 2.347 1.00 0.00 N ATOM 203 CA TYR A 38 8.075 -2.613 1.771 1.00 0.00 C ATOM 204 C TYR A 38 7.686 -1.613 0.708 1.00 0.00 C ATOM 205 O TYR A 38 7.345 -2.013 -0.404 1.00 0.00 O ATOM 206 CB TYR A 38 8.918 -3.754 1.194 1.00 0.00 C ATOM 207 CG TYR A 38 10.037 -4.177 2.112 1.00 0.00 C ATOM 208 CD1 TYR A 38 9.808 -5.056 3.186 1.00 0.00 C ATOM 209 CD2 TYR A 38 11.318 -3.645 1.894 1.00 0.00 C ATOM 210 CE1 TYR A 38 10.874 -5.430 4.023 1.00 0.00 C ATOM 211 CE2 TYR A 38 12.380 -3.990 2.736 1.00 0.00 C ATOM 212 CZ TYR A 38 12.168 -4.901 3.793 1.00 0.00 C ATOM 213 OH TYR A 38 13.214 -5.269 4.577 1.00 0.00 O ATOM 0 H TYR A 38 6.242 -3.570 1.674 1.00 0.00 H new ATOM 0 HA TYR A 38 8.707 -2.159 2.534 1.00 0.00 H new ATOM 0 HB2 TYR A 38 8.274 -4.611 0.995 1.00 0.00 H new ATOM 0 HB3 TYR A 38 9.337 -3.442 0.238 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.816 -5.443 3.367 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.484 -2.965 1.071 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.707 -6.118 4.838 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.358 -3.561 2.578 1.00 0.00 H new ATOM 0 HH TYR A 38 14.026 -4.810 4.276 1.00 0.00 H new ATOM 223 N LEU A 39 7.688 -0.329 1.047 1.00 0.00 N ATOM 224 CA LEU A 39 7.514 0.732 0.074 1.00 0.00 C ATOM 225 C LEU A 39 8.848 1.039 -0.542 1.00 0.00 C ATOM 226 O LEU A 39 9.787 1.360 0.175 1.00 0.00 O ATOM 227 CB LEU A 39 6.906 1.975 0.708 1.00 0.00 C ATOM 228 CG LEU A 39 6.652 3.062 -0.353 1.00 0.00 C ATOM 229 CD1 LEU A 39 5.437 2.767 -1.230 1.00 0.00 C ATOM 230 CD2 LEU A 39 6.448 4.426 0.278 1.00 0.00 C ATOM 0 H LEU A 39 7.810 0.001 2.004 1.00 0.00 H new ATOM 0 HA LEU A 39 6.819 0.402 -0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.969 1.716 1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.575 2.361 1.477 1.00 0.00 H new ATOM 0 HG LEU A 39 7.548 3.062 -0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.310 3.569 -1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.587 1.823 -1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.546 2.699 -0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.272 5.166 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.588 4.393 0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.338 4.702 0.844 1.00 0.00 H new ATOM 242 N ASN A 40 8.889 0.970 -1.872 1.00 0.00 N ATOM 243 CA ASN A 40 10.023 1.330 -2.701 1.00 0.00 C ATOM 244 C ASN A 40 11.348 0.885 -2.077 1.00 0.00 C ATOM 245 O ASN A 40 12.281 1.660 -1.848 1.00 0.00 O ATOM 246 CB ASN A 40 9.950 2.791 -3.179 1.00 0.00 C ATOM 247 CG ASN A 40 9.779 3.912 -2.156 1.00 0.00 C ATOM 248 OD1 ASN A 40 10.461 4.012 -1.144 1.00 0.00 O ATOM 249 ND2 ASN A 40 8.904 4.866 -2.439 1.00 0.00 N ATOM 0 H ASN A 40 8.092 0.646 -2.420 1.00 0.00 H new ATOM 0 HA ASN A 40 9.973 0.760 -3.629 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.862 2.997 -3.739 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.121 2.863 -3.883 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.806 5.669 -1.818 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.328 4.797 -3.278 1.00 0.00 H new ATOM 256 N ASN A 41 11.420 -0.431 -1.853 1.00 0.00 N ATOM 257 CA ASN A 41 12.541 -1.161 -1.272 1.00 0.00 C ATOM 258 C ASN A 41 12.911 -0.623 0.114 1.00 0.00 C ATOM 259 O ASN A 41 14.093 -0.475 0.423 1.00 0.00 O ATOM 260 CB ASN A 41 13.742 -1.197 -2.237 1.00 0.00 C ATOM 261 CG ASN A 41 13.396 -1.796 -3.590 1.00 0.00 C ATOM 262 OD1 ASN A 41 13.144 -2.997 -3.700 1.00 0.00 O ATOM 263 ND2 ASN A 41 13.400 -0.992 -4.642 1.00 0.00 N ATOM 0 H ASN A 41 10.645 -1.050 -2.089 1.00 0.00 H new ATOM 0 HA ASN A 41 12.227 -2.194 -1.122 1.00 0.00 H new ATOM 0 HB2 ASN A 41 14.118 -0.184 -2.379 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.548 -1.775 -1.785 1.00 0.00 H new ATOM 0 HD21 ASN A 41 13.191 -1.364 -5.569 1.00 0.00 H new ATOM 0 HD22 ASN A 41 13.612 -0.001 -4.526 1.00 0.00 H new ATOM 270 N GLY A 42 11.929 -0.290 0.949 1.00 0.00 N ATOM 271 CA GLY A 42 12.133 0.135 2.329 1.00 0.00 C ATOM 272 C GLY A 42 11.018 -0.434 3.197 1.00 0.00 C ATOM 273 O GLY A 42 9.850 -0.212 2.895 1.00 0.00 O ATOM 0 H GLY A 42 10.946 -0.309 0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.102 -0.210 2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.139 1.223 2.390 1.00 0.00 H new ATOM 277 N TYR A 43 11.373 -1.186 4.239 1.00 0.00 N ATOM 278 CA TYR A 43 10.467 -1.679 5.274 1.00 0.00 C ATOM 279 C TYR A 43 9.791 -0.471 5.930 1.00 0.00 C ATOM 280 O TYR A 43 10.483 0.423 6.414 1.00 0.00 O ATOM 281 CB TYR A 43 11.311 -2.393 6.344 1.00 0.00 C ATOM 282 CG TYR A 43 10.510 -2.733 7.578 1.00 0.00 C ATOM 283 CD1 TYR A 43 9.406 -3.584 7.443 1.00 0.00 C ATOM 284 CD2 TYR A 43 10.814 -2.166 8.833 1.00 0.00 C ATOM 285 CE1 TYR A 43 8.620 -3.892 8.559 1.00 0.00 C ATOM 286 CE2 TYR A 43 10.024 -2.471 9.956 1.00 0.00 C ATOM 287 CZ TYR A 43 8.933 -3.357 9.827 1.00 0.00 C ATOM 288 OH TYR A 43 8.187 -3.724 10.904 1.00 0.00 O ATOM 0 H TYR A 43 12.338 -1.479 4.390 1.00 0.00 H new ATOM 0 HA TYR A 43 9.724 -2.355 4.850 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.729 -3.307 5.922 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.151 -1.758 6.624 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.161 -4.002 6.478 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.655 -1.496 8.932 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.767 -4.545 8.449 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.252 -2.028 10.914 1.00 0.00 H new ATOM 0 HH TYR A 43 7.832 -4.627 10.764 1.00 0.00 H new ATOM 298 N MET A 44 8.461 -0.454 6.002 1.00 0.00 N ATOM 299 CA MET A 44 7.709 0.628 6.625 1.00 0.00 C ATOM 300 C MET A 44 7.011 0.159 7.900 1.00 0.00 C ATOM 301 O MET A 44 7.067 0.876 8.899 1.00 0.00 O ATOM 302 CB MET A 44 6.735 1.247 5.613 1.00 0.00 C ATOM 303 CG MET A 44 7.490 1.845 4.419 1.00 0.00 C ATOM 304 SD MET A 44 8.606 3.221 4.833 1.00 0.00 S ATOM 305 CE MET A 44 9.555 3.338 3.299 1.00 0.00 C ATOM 0 H MET A 44 7.873 -1.198 5.626 1.00 0.00 H new ATOM 0 HA MET A 44 8.405 1.409 6.930 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.037 0.487 5.263 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.144 2.023 6.100 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.071 1.056 3.942 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.763 2.193 3.685 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.521 3.800 3.503 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.710 2.340 2.890 1.00 0.00 H new ATOM 0 HE3 MET A 44 9.008 3.945 2.578 1.00 0.00 H new ATOM 315 N ALA A 45 6.347 -1.003 7.902 1.00 0.00 N ATOM 316 CA ALA A 45 5.737 -1.599 9.093 1.00 0.00 C ATOM 317 C ALA A 45 5.469 -3.084 8.852 1.00 0.00 C ATOM 318 O ALA A 45 5.438 -3.527 7.705 1.00 0.00 O ATOM 319 CB ALA A 45 4.422 -0.881 9.440 1.00 0.00 C ATOM 0 H ALA A 45 6.217 -1.564 7.060 1.00 0.00 H new ATOM 0 HA ALA A 45 6.427 -1.489 9.930 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.982 -1.336 10.327 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.623 0.172 9.635 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.728 -0.970 8.604 1.00 0.00 H new ATOM 325 N THR A 46 5.186 -3.822 9.924 1.00 0.00 N ATOM 326 CA THR A 46 4.788 -5.225 9.922 1.00 0.00 C ATOM 327 C THR A 46 3.406 -5.263 10.545 1.00 0.00 C ATOM 328 O THR A 46 3.240 -4.796 11.677 1.00 0.00 O ATOM 329 CB THR A 46 5.765 -6.064 10.765 1.00 0.00 C ATOM 330 OG1 THR A 46 7.043 -6.082 10.181 1.00 0.00 O ATOM 331 CG2 THR A 46 5.310 -7.508 10.952 1.00 0.00 C ATOM 0 H THR A 46 5.231 -3.435 10.867 1.00 0.00 H new ATOM 0 HA THR A 46 4.792 -5.637 8.913 1.00 0.00 H new ATOM 0 HB THR A 46 5.792 -5.582 11.742 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.991 -6.492 9.292 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.042 -8.045 11.555 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.344 -7.523 11.456 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.218 -7.990 9.978 1.00 0.00 H new ATOM 339 N ARG A 47 2.402 -5.777 9.845 1.00 0.00 N ATOM 340 CA ARG A 47 1.065 -5.947 10.405 1.00 0.00 C ATOM 341 C ARG A 47 0.311 -6.958 9.572 1.00 0.00 C ATOM 342 O ARG A 47 0.801 -7.433 8.553 1.00 0.00 O ATOM 343 CB ARG A 47 0.256 -4.630 10.502 1.00 0.00 C ATOM 344 CG ARG A 47 0.836 -3.380 9.827 1.00 0.00 C ATOM 345 CD ARG A 47 -0.283 -2.422 9.421 1.00 0.00 C ATOM 346 NE ARG A 47 -1.089 -1.992 10.574 1.00 0.00 N ATOM 347 CZ ARG A 47 -0.852 -0.943 11.365 1.00 0.00 C ATOM 348 NH1 ARG A 47 -0.131 0.085 10.931 1.00 0.00 N ATOM 349 NH2 ARG A 47 -1.335 -0.947 12.600 1.00 0.00 N ATOM 0 H ARG A 47 2.490 -6.087 8.877 1.00 0.00 H new ATOM 0 HA ARG A 47 1.189 -6.297 11.430 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.731 -4.812 10.077 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.112 -4.403 11.558 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.523 -2.878 10.508 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.412 -3.669 8.948 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.148 -1.547 8.934 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.928 -2.908 8.689 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.913 -2.553 10.791 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.248 0.078 9.984 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.043 0.881 11.545 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.878 -1.744 12.933 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.163 -0.153 13.217 1.00 0.00 H new ATOM 363 N ASP A 48 -0.894 -7.256 10.021 1.00 0.00 N ATOM 364 CA ASP A 48 -1.944 -7.862 9.232 1.00 0.00 C ATOM 365 C ASP A 48 -2.589 -6.737 8.433 1.00 0.00 C ATOM 366 O ASP A 48 -2.925 -5.678 8.977 1.00 0.00 O ATOM 367 CB ASP A 48 -2.949 -8.589 10.127 1.00 0.00 C ATOM 368 CG ASP A 48 -3.673 -7.670 11.105 1.00 0.00 C ATOM 369 OD1 ASP A 48 -4.927 -7.603 11.077 1.00 0.00 O ATOM 370 OD2 ASP A 48 -2.972 -7.096 11.971 1.00 0.00 O ATOM 0 H ASP A 48 -1.177 -7.074 10.984 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.549 -8.622 8.557 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.686 -9.090 9.499 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.428 -9.365 10.688 1.00 0.00 H new ATOM 376 N VAL A 49 -2.680 -6.945 7.127 1.00 0.00 N ATOM 377 CA VAL A 49 -3.079 -5.961 6.144 1.00 0.00 C ATOM 378 C VAL A 49 -4.336 -6.518 5.487 1.00 0.00 C ATOM 379 O VAL A 49 -4.297 -7.553 4.819 1.00 0.00 O ATOM 380 CB VAL A 49 -1.908 -5.642 5.186 1.00 0.00 C ATOM 381 CG1 VAL A 49 -2.195 -4.344 4.431 1.00 0.00 C ATOM 382 CG2 VAL A 49 -0.566 -5.426 5.908 1.00 0.00 C ATOM 0 H VAL A 49 -2.466 -7.850 6.709 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.320 -4.989 6.574 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.827 -6.508 4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.367 -4.124 3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.113 -4.454 3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.310 -3.527 5.143 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.210 -5.207 5.175 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.657 -4.590 6.602 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.300 -6.328 6.459 1.00 0.00 H new ATOM 392 N THR A 50 -5.477 -5.894 5.772 1.00 0.00 N ATOM 393 CA THR A 50 -6.784 -6.436 5.445 1.00 0.00 C ATOM 394 C THR A 50 -7.138 -6.138 4.001 1.00 0.00 C ATOM 395 O THR A 50 -7.716 -5.093 3.681 1.00 0.00 O ATOM 396 CB THR A 50 -7.838 -5.934 6.427 1.00 0.00 C ATOM 397 OG1 THR A 50 -7.477 -6.356 7.731 1.00 0.00 O ATOM 398 CG2 THR A 50 -9.179 -6.587 6.102 1.00 0.00 C ATOM 0 H THR A 50 -5.515 -4.989 6.241 1.00 0.00 H new ATOM 0 HA THR A 50 -6.755 -7.521 5.546 1.00 0.00 H new ATOM 0 HB THR A 50 -7.907 -4.848 6.362 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.145 -6.039 8.374 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.936 -6.231 6.801 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.473 -6.327 5.085 1.00 0.00 H new ATOM 0 HG23 THR A 50 -9.087 -7.670 6.187 1.00 0.00 H new ATOM 406 N PHE A 51 -6.804 -7.064 3.119 1.00 0.00 N ATOM 407 CA PHE A 51 -7.099 -6.972 1.735 1.00 0.00 C ATOM 408 C PHE A 51 -8.542 -7.348 1.425 1.00 0.00 C ATOM 409 O PHE A 51 -9.286 -7.851 2.268 1.00 0.00 O ATOM 410 CB PHE A 51 -6.113 -7.899 1.047 1.00 0.00 C ATOM 411 CG PHE A 51 -6.222 -9.361 1.437 1.00 0.00 C ATOM 412 CD1 PHE A 51 -5.652 -9.869 2.621 1.00 0.00 C ATOM 413 CD2 PHE A 51 -6.792 -10.245 0.521 1.00 0.00 C ATOM 414 CE1 PHE A 51 -5.641 -11.263 2.852 1.00 0.00 C ATOM 415 CE2 PHE A 51 -6.693 -11.628 0.720 1.00 0.00 C ATOM 416 CZ PHE A 51 -6.150 -12.147 1.898 1.00 0.00 C ATOM 0 H PHE A 51 -6.306 -7.918 3.373 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.999 -5.946 1.380 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -6.252 -7.816 -0.031 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.102 -7.555 1.266 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.225 -9.196 3.349 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.312 -9.862 -0.345 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.235 -11.649 3.775 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.041 -12.303 -0.048 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.124 -13.213 2.068 1.00 0.00 H new ATOM 426 N ASN A 52 -8.947 -7.023 0.207 1.00 0.00 N ATOM 427 CA ASN A 52 -10.308 -7.109 -0.285 1.00 0.00 C ATOM 428 C ASN A 52 -10.271 -7.168 -1.806 1.00 0.00 C ATOM 429 O ASN A 52 -9.221 -6.960 -2.419 1.00 0.00 O ATOM 430 CB ASN A 52 -11.167 -5.946 0.239 1.00 0.00 C ATOM 431 CG ASN A 52 -10.516 -4.579 0.191 1.00 0.00 C ATOM 432 OD1 ASN A 52 -10.768 -3.799 -0.717 1.00 0.00 O ATOM 433 ND2 ASN A 52 -9.700 -4.268 1.194 1.00 0.00 N ATOM 0 H ASN A 52 -8.299 -6.674 -0.500 1.00 0.00 H new ATOM 0 HA ASN A 52 -10.781 -8.017 0.088 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.090 -5.910 -0.340 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -11.446 -6.160 1.271 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -9.258 -3.349 1.226 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -9.516 -4.948 1.932 1.00 0.00 H new ATOM 440 N THR A 53 -11.391 -7.561 -2.400 1.00 0.00 N ATOM 441 CA THR A 53 -11.488 -8.002 -3.784 1.00 0.00 C ATOM 442 C THR A 53 -11.238 -6.821 -4.739 1.00 0.00 C ATOM 443 O THR A 53 -11.913 -5.789 -4.657 1.00 0.00 O ATOM 444 CB THR A 53 -12.856 -8.687 -3.998 1.00 0.00 C ATOM 445 OG1 THR A 53 -13.474 -9.083 -2.774 1.00 0.00 O ATOM 446 CG2 THR A 53 -12.696 -9.958 -4.834 1.00 0.00 C ATOM 0 H THR A 53 -12.287 -7.582 -1.914 1.00 0.00 H new ATOM 0 HA THR A 53 -10.717 -8.738 -4.009 1.00 0.00 H new ATOM 0 HB THR A 53 -13.478 -7.945 -4.500 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.336 -9.509 -2.965 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.670 -10.426 -4.974 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.273 -9.703 -5.806 1.00 0.00 H new ATOM 0 HG23 THR A 53 -12.031 -10.651 -4.319 1.00 0.00 H new ATOM 454 N GLY A 54 -10.260 -6.965 -5.635 1.00 0.00 N ATOM 455 CA GLY A 54 -9.737 -5.919 -6.505 1.00 0.00 C ATOM 456 C GLY A 54 -9.479 -6.461 -7.908 1.00 0.00 C ATOM 457 O GLY A 54 -9.982 -7.526 -8.272 1.00 0.00 O ATOM 0 H GLY A 54 -9.791 -7.859 -5.778 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.446 -5.092 -6.554 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.812 -5.521 -6.088 1.00 0.00 H new ATOM 461 N ASP A 55 -8.711 -5.717 -8.709 1.00 0.00 N ATOM 462 CA ASP A 55 -8.500 -6.016 -10.129 1.00 0.00 C ATOM 463 C ASP A 55 -7.053 -6.364 -10.478 1.00 0.00 C ATOM 464 O ASP A 55 -6.714 -6.551 -11.646 1.00 0.00 O ATOM 465 CB ASP A 55 -9.073 -4.908 -11.029 1.00 0.00 C ATOM 466 CG ASP A 55 -9.577 -5.457 -12.372 1.00 0.00 C ATOM 467 OD1 ASP A 55 -9.597 -4.695 -13.376 1.00 0.00 O ATOM 468 OD2 ASP A 55 -10.089 -6.603 -12.398 1.00 0.00 O ATOM 0 H ASP A 55 -8.215 -4.885 -8.389 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.063 -6.927 -10.332 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.892 -4.409 -10.512 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.305 -4.156 -11.211 1.00 0.00 H new ATOM 474 N SER A 56 -6.206 -6.491 -9.455 1.00 0.00 N ATOM 475 CA SER A 56 -4.780 -6.726 -9.594 1.00 0.00 C ATOM 476 C SER A 56 -4.513 -8.203 -9.897 1.00 0.00 C ATOM 477 O SER A 56 -5.442 -9.011 -9.880 1.00 0.00 O ATOM 478 CB SER A 56 -4.093 -6.325 -8.277 1.00 0.00 C ATOM 479 OG SER A 56 -4.009 -4.918 -8.161 1.00 0.00 O ATOM 0 H SER A 56 -6.508 -6.430 -8.483 1.00 0.00 H new ATOM 0 HA SER A 56 -4.385 -6.133 -10.419 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.650 -6.731 -7.433 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.093 -6.758 -8.237 1.00 0.00 H new ATOM 0 HG SER A 56 -3.571 -4.685 -7.316 1.00 0.00 H new ATOM 485 N GLU A 57 -3.236 -8.542 -10.094 1.00 0.00 N ATOM 486 CA GLU A 57 -2.659 -9.867 -10.338 1.00 0.00 C ATOM 487 C GLU A 57 -3.408 -10.948 -9.541 1.00 0.00 C ATOM 488 O GLU A 57 -4.216 -11.701 -10.087 1.00 0.00 O ATOM 489 CB GLU A 57 -1.160 -9.837 -9.950 1.00 0.00 C ATOM 490 CG GLU A 57 -0.290 -8.719 -10.554 1.00 0.00 C ATOM 491 CD GLU A 57 0.501 -9.187 -11.770 1.00 0.00 C ATOM 492 OE1 GLU A 57 0.086 -8.886 -12.913 1.00 0.00 O ATOM 493 OE2 GLU A 57 1.554 -9.832 -11.568 1.00 0.00 O ATOM 0 H GLU A 57 -2.510 -7.826 -10.086 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.757 -10.116 -11.395 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.095 -9.764 -8.864 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.721 -10.794 -10.232 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.927 -7.882 -10.839 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.400 -8.350 -9.795 1.00 0.00 H new ATOM 501 N GLN A 58 -3.211 -10.942 -8.217 1.00 0.00 N ATOM 502 CA GLN A 58 -3.777 -11.911 -7.283 1.00 0.00 C ATOM 503 C GLN A 58 -5.302 -11.774 -7.164 1.00 0.00 C ATOM 504 O GLN A 58 -5.966 -12.648 -6.613 1.00 0.00 O ATOM 505 CB GLN A 58 -3.140 -11.737 -5.897 1.00 0.00 C ATOM 506 CG GLN A 58 -1.630 -11.434 -5.874 1.00 0.00 C ATOM 507 CD GLN A 58 -1.433 -9.957 -5.549 1.00 0.00 C ATOM 508 OE1 GLN A 58 -1.483 -9.088 -6.415 1.00 0.00 O ATOM 509 NE2 GLN A 58 -1.310 -9.639 -4.273 1.00 0.00 N ATOM 0 H GLN A 58 -2.634 -10.238 -7.756 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.559 -12.905 -7.674 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.659 -10.929 -5.381 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.315 -12.647 -5.323 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.131 -12.055 -5.129 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.182 -11.672 -6.839 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.270 -10.373 -3.566 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.255 -8.659 -3.995 1.00 0.00 H new ATOM 518 N GLY A 59 -5.876 -10.680 -7.658 1.00 0.00 N ATOM 519 CA GLY A 59 -7.301 -10.393 -7.622 1.00 0.00 C ATOM 520 C GLY A 59 -7.742 -9.598 -6.389 1.00 0.00 C ATOM 521 O GLY A 59 -8.936 -9.477 -6.125 1.00 0.00 O ATOM 0 H GLY A 59 -5.337 -9.942 -8.111 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.572 -9.835 -8.518 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.852 -11.333 -7.653 1.00 0.00 H new ATOM 525 N ILE A 60 -6.800 -9.093 -5.588 1.00 0.00 N ATOM 526 CA ILE A 60 -7.039 -8.481 -4.282 1.00 0.00 C ATOM 527 C ILE A 60 -6.077 -7.323 -4.078 1.00 0.00 C ATOM 528 O ILE A 60 -4.981 -7.294 -4.650 1.00 0.00 O ATOM 529 CB ILE A 60 -6.867 -9.500 -3.125 1.00 0.00 C ATOM 530 CG1 ILE A 60 -5.619 -10.380 -3.380 1.00 0.00 C ATOM 531 CG2 ILE A 60 -8.144 -10.346 -2.982 1.00 0.00 C ATOM 532 CD1 ILE A 60 -5.192 -11.205 -2.179 1.00 0.00 C ATOM 0 H ILE A 60 -5.812 -9.100 -5.843 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.069 -8.125 -4.267 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.712 -8.970 -2.185 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.824 -11.050 -4.215 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.790 -9.739 -3.682 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.018 -11.060 -2.168 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.990 -9.694 -2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.330 -10.884 -3.911 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.312 -11.794 -2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.954 -10.541 -1.348 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.003 -11.873 -1.889 1.00 0.00 H new ATOM 544 N VAL A 61 -6.465 -6.408 -3.199 1.00 0.00 N ATOM 545 CA VAL A 61 -5.692 -5.239 -2.824 1.00 0.00 C ATOM 546 C VAL A 61 -5.754 -5.059 -1.304 1.00 0.00 C ATOM 547 O VAL A 61 -6.797 -5.367 -0.731 1.00 0.00 O ATOM 548 CB VAL A 61 -6.238 -4.005 -3.574 1.00 0.00 C ATOM 549 CG1 VAL A 61 -5.975 -4.096 -5.088 1.00 0.00 C ATOM 550 CG2 VAL A 61 -7.750 -3.801 -3.347 1.00 0.00 C ATOM 0 H VAL A 61 -7.359 -6.465 -2.712 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.646 -5.364 -3.104 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.702 -3.150 -3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.374 -3.209 -5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.902 -4.159 -5.268 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.463 -4.984 -5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.085 -2.921 -3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.293 -4.677 -3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.943 -3.661 -2.283 1.00 0.00 H new ATOM 560 N PRO A 62 -4.677 -4.602 -0.640 1.00 0.00 N ATOM 561 CA PRO A 62 -4.619 -4.404 0.807 1.00 0.00 C ATOM 562 C PRO A 62 -5.472 -3.210 1.233 1.00 0.00 C ATOM 563 O PRO A 62 -5.794 -2.340 0.424 1.00 0.00 O ATOM 564 CB PRO A 62 -3.148 -4.151 1.131 1.00 0.00 C ATOM 565 CG PRO A 62 -2.572 -3.604 -0.160 1.00 0.00 C ATOM 566 CD PRO A 62 -3.435 -4.189 -1.265 1.00 0.00 C ATOM 0 HA PRO A 62 -5.009 -5.271 1.340 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.037 -3.440 1.950 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.644 -5.068 1.435 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.602 -2.514 -0.173 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.529 -3.896 -0.280 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.620 -3.451 -2.045 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.938 -5.036 -1.739 1.00 0.00 H new ATOM 574 N CYS A 63 -5.775 -3.114 2.528 1.00 0.00 N ATOM 575 CA CYS A 63 -6.196 -1.866 3.139 1.00 0.00 C ATOM 576 C CYS A 63 -4.946 -1.026 3.366 1.00 0.00 C ATOM 577 O CYS A 63 -3.990 -1.466 4.010 1.00 0.00 O ATOM 578 CB CYS A 63 -6.926 -2.107 4.458 1.00 0.00 C ATOM 579 SG CYS A 63 -7.471 -0.590 5.275 1.00 0.00 S ATOM 0 H CYS A 63 -5.734 -3.901 3.176 1.00 0.00 H new ATOM 0 HA CYS A 63 -6.897 -1.350 2.483 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -7.793 -2.741 4.272 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.268 -2.656 5.132 1.00 0.00 H new ATOM 0 HG CYS A 63 -8.082 -0.889 6.383 1.00 0.00 H new ATOM 585 N LEU A 64 -4.965 0.189 2.833 1.00 0.00 N ATOM 586 CA LEU A 64 -3.955 1.215 3.004 1.00 0.00 C ATOM 587 C LEU A 64 -4.774 2.472 3.257 1.00 0.00 C ATOM 588 O LEU A 64 -5.768 2.687 2.565 1.00 0.00 O ATOM 589 CB LEU A 64 -3.035 1.377 1.769 1.00 0.00 C ATOM 590 CG LEU A 64 -2.934 0.189 0.781 1.00 0.00 C ATOM 591 CD1 LEU A 64 -4.067 0.247 -0.253 1.00 0.00 C ATOM 592 CD2 LEU A 64 -1.592 0.208 0.035 1.00 0.00 C ATOM 0 H LEU A 64 -5.732 0.498 2.236 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.264 0.974 3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.375 2.249 1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.030 1.601 2.127 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.013 -0.728 1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.978 -0.596 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.029 0.200 0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.000 1.179 -0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.546 -0.636 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.501 1.138 -0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.775 0.136 0.753 1.00 0.00 H new ATOM 604 N THR A 65 -4.405 3.274 4.249 1.00 0.00 N ATOM 605 CA THR A 65 -5.186 4.408 4.719 1.00 0.00 C ATOM 606 C THR A 65 -4.315 5.657 4.625 1.00 0.00 C ATOM 607 O THR A 65 -3.093 5.537 4.502 1.00 0.00 O ATOM 608 CB THR A 65 -5.710 4.125 6.142 1.00 0.00 C ATOM 609 OG1 THR A 65 -4.656 4.211 7.082 1.00 0.00 O ATOM 610 CG2 THR A 65 -6.331 2.720 6.269 1.00 0.00 C ATOM 0 H THR A 65 -3.532 3.149 4.761 1.00 0.00 H new ATOM 0 HA THR A 65 -6.068 4.574 4.101 1.00 0.00 H new ATOM 0 HB THR A 65 -6.476 4.875 6.339 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.968 4.685 7.881 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.685 2.569 7.289 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.168 2.628 5.577 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.580 1.967 6.031 1.00 0.00 H new ATOM 618 N ARG A 66 -4.884 6.863 4.724 1.00 0.00 N ATOM 619 CA ARG A 66 -4.082 8.083 4.632 1.00 0.00 C ATOM 620 C ARG A 66 -2.973 8.068 5.664 1.00 0.00 C ATOM 621 O ARG A 66 -1.860 8.505 5.376 1.00 0.00 O ATOM 622 CB ARG A 66 -4.943 9.346 4.813 1.00 0.00 C ATOM 623 CG ARG A 66 -4.242 10.526 4.114 1.00 0.00 C ATOM 624 CD ARG A 66 -5.209 11.582 3.574 1.00 0.00 C ATOM 625 NE ARG A 66 -5.506 12.676 4.513 1.00 0.00 N ATOM 626 CZ ARG A 66 -4.781 13.748 4.844 1.00 0.00 C ATOM 627 NH1 ARG A 66 -3.505 13.844 4.487 1.00 0.00 N ATOM 628 NH2 ARG A 66 -5.352 14.749 5.503 1.00 0.00 N ATOM 0 H ARG A 66 -5.882 7.018 4.866 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.647 8.110 3.633 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.935 9.191 4.389 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.079 9.562 5.873 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.557 10.999 4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.639 10.143 3.291 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.790 12.007 2.662 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.143 11.093 3.298 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.407 12.604 4.985 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.067 13.093 3.953 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.963 14.668 4.747 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.339 14.697 5.754 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.803 15.570 5.758 1.00 0.00 H new ATOM 642 N ALA A 67 -3.293 7.547 6.846 1.00 0.00 N ATOM 643 CA ALA A 67 -2.329 7.334 7.896 1.00 0.00 C ATOM 644 C ALA A 67 -1.257 6.324 7.475 1.00 0.00 C ATOM 645 O ALA A 67 -0.088 6.673 7.497 1.00 0.00 O ATOM 646 CB ALA A 67 -3.027 6.892 9.171 1.00 0.00 C ATOM 0 H ALA A 67 -4.240 7.262 7.094 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.824 8.280 8.090 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.287 6.735 9.955 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.731 7.662 9.486 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.564 5.962 8.988 1.00 0.00 H new ATOM 652 N GLN A 68 -1.620 5.094 7.084 1.00 0.00 N ATOM 653 CA GLN A 68 -0.657 4.056 6.698 1.00 0.00 C ATOM 654 C GLN A 68 0.295 4.559 5.610 1.00 0.00 C ATOM 655 O GLN A 68 1.489 4.276 5.624 1.00 0.00 O ATOM 656 CB GLN A 68 -1.397 2.838 6.130 1.00 0.00 C ATOM 657 CG GLN A 68 -2.225 2.028 7.133 1.00 0.00 C ATOM 658 CD GLN A 68 -1.579 0.675 7.445 1.00 0.00 C ATOM 659 OE1 GLN A 68 -0.544 0.588 8.108 1.00 0.00 O ATOM 660 NE2 GLN A 68 -2.137 -0.415 6.941 1.00 0.00 N ATOM 0 H GLN A 68 -2.592 4.792 7.027 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.092 3.792 7.592 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.059 3.179 5.334 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.664 2.173 5.673 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -2.337 2.598 8.055 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.226 1.869 6.733 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.994 -0.342 6.392 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.710 -1.327 7.102 1.00 0.00 H new ATOM 669 N LEU A 69 -0.235 5.303 4.645 1.00 0.00 N ATOM 670 CA LEU A 69 0.516 5.798 3.508 1.00 0.00 C ATOM 671 C LEU A 69 1.431 6.920 3.966 1.00 0.00 C ATOM 672 O LEU A 69 2.640 6.867 3.751 1.00 0.00 O ATOM 673 CB LEU A 69 -0.449 6.275 2.423 1.00 0.00 C ATOM 674 CG LEU A 69 -1.331 5.156 1.862 1.00 0.00 C ATOM 675 CD1 LEU A 69 -2.437 5.790 1.022 1.00 0.00 C ATOM 676 CD2 LEU A 69 -0.562 4.140 1.013 1.00 0.00 C ATOM 0 H LEU A 69 -1.216 5.581 4.635 1.00 0.00 H new ATOM 0 HA LEU A 69 1.130 5.002 3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.086 7.059 2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.122 6.721 1.609 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.737 4.603 2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.077 5.008 0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.032 6.456 1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.993 6.359 0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.249 3.376 0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.102 4.648 0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.213 3.671 1.620 1.00 0.00 H new ATOM 688 N ALA A 70 0.879 7.945 4.614 1.00 0.00 N ATOM 689 CA ALA A 70 1.692 9.034 5.118 1.00 0.00 C ATOM 690 C ALA A 70 2.628 8.570 6.239 1.00 0.00 C ATOM 691 O ALA A 70 3.553 9.309 6.564 1.00 0.00 O ATOM 692 CB ALA A 70 0.802 10.173 5.593 1.00 0.00 C ATOM 0 H ALA A 70 -0.120 8.038 4.798 1.00 0.00 H new ATOM 0 HA ALA A 70 2.319 9.392 4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.422 10.986 5.970 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.197 10.533 4.761 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.148 9.816 6.389 1.00 0.00 H new ATOM 698 N SER A 71 2.451 7.370 6.810 1.00 0.00 N ATOM 699 CA SER A 71 3.447 6.802 7.718 1.00 0.00 C ATOM 700 C SER A 71 4.744 6.556 6.933 1.00 0.00 C ATOM 701 O SER A 71 5.832 6.885 7.406 1.00 0.00 O ATOM 702 CB SER A 71 2.976 5.499 8.364 1.00 0.00 C ATOM 703 OG SER A 71 2.167 5.703 9.497 1.00 0.00 O ATOM 0 H SER A 71 1.632 6.781 6.658 1.00 0.00 H new ATOM 0 HA SER A 71 3.612 7.514 8.527 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.420 4.917 7.629 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.846 4.907 8.648 1.00 0.00 H new ATOM 0 HG SER A 71 1.292 6.043 9.217 1.00 0.00 H new ATOM 709 N MET A 72 4.623 6.046 5.701 1.00 0.00 N ATOM 710 CA MET A 72 5.721 5.846 4.750 1.00 0.00 C ATOM 711 C MET A 72 6.206 7.177 4.160 1.00 0.00 C ATOM 712 O MET A 72 7.077 7.179 3.295 1.00 0.00 O ATOM 713 CB MET A 72 5.320 4.935 3.570 1.00 0.00 C ATOM 714 CG MET A 72 4.090 4.061 3.740 1.00 0.00 C ATOM 715 SD MET A 72 4.115 2.497 2.848 1.00 0.00 S ATOM 716 CE MET A 72 2.388 2.450 2.361 1.00 0.00 C ATOM 0 H MET A 72 3.722 5.750 5.326 1.00 0.00 H new ATOM 0 HA MET A 72 6.516 5.371 5.324 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.164 5.567 2.696 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.165 4.284 3.346 1.00 0.00 H new ATOM 0 HG2 MET A 72 3.960 3.851 4.802 1.00 0.00 H new ATOM 0 HG3 MET A 72 3.217 4.628 3.418 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.107 1.426 2.114 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.768 2.808 3.183 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.238 3.087 1.490 1.00 0.00 H new ATOM 726 N GLY A 73 5.591 8.304 4.528 1.00 0.00 N ATOM 727 CA GLY A 73 5.895 9.593 3.942 1.00 0.00 C ATOM 728 C GLY A 73 5.187 9.846 2.612 1.00 0.00 C ATOM 729 O GLY A 73 5.540 10.833 1.959 1.00 0.00 O ATOM 0 H GLY A 73 4.866 8.338 5.245 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.617 10.377 4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.972 9.668 3.790 1.00 0.00 H new ATOM 733 N LEU A 74 4.220 9.012 2.190 1.00 0.00 N ATOM 734 CA LEU A 74 3.482 9.232 0.941 1.00 0.00 C ATOM 735 C LEU A 74 2.860 10.631 0.939 1.00 0.00 C ATOM 736 O LEU A 74 2.254 11.069 1.919 1.00 0.00 O ATOM 737 CB LEU A 74 2.457 8.125 0.675 1.00 0.00 C ATOM 738 CG LEU A 74 1.223 8.415 -0.208 1.00 0.00 C ATOM 739 CD1 LEU A 74 0.138 9.223 0.507 1.00 0.00 C ATOM 740 CD2 LEU A 74 1.456 8.892 -1.637 1.00 0.00 C ATOM 0 H LEU A 74 3.933 8.177 2.701 1.00 0.00 H new ATOM 0 HA LEU A 74 4.185 9.181 0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.991 7.290 0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.091 7.782 1.643 1.00 0.00 H new ATOM 0 HG LEU A 74 0.848 7.404 -0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.698 9.390 -0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.209 8.673 1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.547 10.183 0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.496 9.052 -2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.016 9.827 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.022 8.138 -2.184 1.00 0.00 H new ATOM 752 N ASN A 75 3.025 11.325 -0.181 1.00 0.00 N ATOM 753 CA ASN A 75 2.579 12.692 -0.390 1.00 0.00 C ATOM 754 C ASN A 75 1.114 12.743 -0.820 1.00 0.00 C ATOM 755 O ASN A 75 0.805 12.658 -2.010 1.00 0.00 O ATOM 756 CB ASN A 75 3.463 13.333 -1.453 1.00 0.00 C ATOM 757 CG ASN A 75 3.319 14.838 -1.477 1.00 0.00 C ATOM 758 OD1 ASN A 75 2.243 15.394 -1.260 1.00 0.00 O ATOM 759 ND2 ASN A 75 4.417 15.517 -1.755 1.00 0.00 N ATOM 0 H ASN A 75 3.492 10.933 -0.999 1.00 0.00 H new ATOM 0 HA ASN A 75 2.660 13.239 0.549 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.504 13.071 -1.265 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.205 12.928 -2.432 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.390 16.536 -1.795 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.292 15.023 -1.930 1.00 0.00 H new ATOM 766 N THR A 76 0.191 12.873 0.128 1.00 0.00 N ATOM 767 CA THR A 76 -1.237 12.945 -0.172 1.00 0.00 C ATOM 768 C THR A 76 -1.561 14.181 -1.026 1.00 0.00 C ATOM 769 O THR A 76 -2.489 14.136 -1.830 1.00 0.00 O ATOM 770 CB THR A 76 -2.039 12.936 1.141 1.00 0.00 C ATOM 771 OG1 THR A 76 -1.863 14.130 1.878 1.00 0.00 O ATOM 772 CG2 THR A 76 -1.657 11.767 2.054 1.00 0.00 C ATOM 0 H THR A 76 0.410 12.931 1.123 1.00 0.00 H new ATOM 0 HA THR A 76 -1.523 12.072 -0.758 1.00 0.00 H new ATOM 0 HB THR A 76 -3.080 12.835 0.834 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.495 14.808 1.559 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.252 11.808 2.966 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.847 10.826 1.539 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.599 11.834 2.308 1.00 0.00 H new ATOM 780 N ALA A 77 -0.826 15.290 -0.857 1.00 0.00 N ATOM 781 CA ALA A 77 -1.122 16.533 -1.555 1.00 0.00 C ATOM 782 C ALA A 77 -0.799 16.416 -3.043 1.00 0.00 C ATOM 783 O ALA A 77 -1.473 17.062 -3.850 1.00 0.00 O ATOM 784 CB ALA A 77 -0.350 17.694 -0.934 1.00 0.00 C ATOM 0 H ALA A 77 -0.018 15.343 -0.237 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.189 16.730 -1.453 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.584 18.614 -1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.634 17.801 0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.720 17.497 -1.002 1.00 0.00 H new ATOM 790 N SER A 78 0.169 15.571 -3.417 1.00 0.00 N ATOM 791 CA SER A 78 0.492 15.318 -4.815 1.00 0.00 C ATOM 792 C SER A 78 -0.724 14.779 -5.587 1.00 0.00 C ATOM 793 O SER A 78 -0.729 14.875 -6.812 1.00 0.00 O ATOM 794 CB SER A 78 1.679 14.352 -4.934 1.00 0.00 C ATOM 795 OG SER A 78 2.885 14.941 -4.484 1.00 0.00 O ATOM 0 H SER A 78 0.745 15.048 -2.757 1.00 0.00 H new ATOM 0 HA SER A 78 0.774 16.270 -5.264 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.475 13.453 -4.353 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.792 14.042 -5.973 1.00 0.00 H new ATOM 0 HG SER A 78 3.645 14.516 -4.934 1.00 0.00 H new ATOM 801 N VAL A 79 -1.739 14.232 -4.904 1.00 0.00 N ATOM 802 CA VAL A 79 -2.888 13.569 -5.476 1.00 0.00 C ATOM 803 C VAL A 79 -4.129 14.423 -5.160 1.00 0.00 C ATOM 804 O VAL A 79 -4.544 14.535 -3.997 1.00 0.00 O ATOM 805 CB VAL A 79 -2.949 12.144 -4.881 1.00 0.00 C ATOM 806 CG1 VAL A 79 -3.511 11.158 -5.896 1.00 0.00 C ATOM 807 CG2 VAL A 79 -1.598 11.591 -4.374 1.00 0.00 C ATOM 0 H VAL A 79 -1.769 14.248 -3.885 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.833 13.468 -6.560 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.602 12.244 -4.014 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.545 10.162 -5.455 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.518 11.463 -6.181 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.873 11.142 -6.780 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.742 10.587 -3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.887 11.555 -5.199 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.210 12.241 -3.589 1.00 0.00 H new ATOM 817 N ALA A 80 -4.683 15.090 -6.179 1.00 0.00 N ATOM 818 CA ALA A 80 -5.842 15.976 -6.074 1.00 0.00 C ATOM 819 C ALA A 80 -7.127 15.191 -5.760 1.00 0.00 C ATOM 820 O ALA A 80 -7.992 15.009 -6.620 1.00 0.00 O ATOM 821 CB ALA A 80 -5.977 16.797 -7.364 1.00 0.00 C ATOM 0 H ALA A 80 -4.322 15.024 -7.131 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.688 16.661 -5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.841 17.457 -7.286 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.076 17.393 -7.512 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.110 16.124 -8.211 1.00 0.00 H new ATOM 827 N GLY A 81 -7.262 14.730 -4.517 1.00 0.00 N ATOM 828 CA GLY A 81 -8.341 13.844 -4.101 1.00 0.00 C ATOM 829 C GLY A 81 -7.924 12.761 -3.104 1.00 0.00 C ATOM 830 O GLY A 81 -8.616 11.754 -2.994 1.00 0.00 O ATOM 0 H GLY A 81 -6.616 14.966 -3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.135 14.443 -3.656 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.761 13.364 -4.985 1.00 0.00 H new ATOM 834 N MET A 82 -6.815 12.917 -2.373 1.00 0.00 N ATOM 835 CA MET A 82 -6.410 11.954 -1.339 1.00 0.00 C ATOM 836 C MET A 82 -6.657 12.475 0.076 1.00 0.00 C ATOM 837 O MET A 82 -7.021 11.730 0.986 1.00 0.00 O ATOM 838 CB MET A 82 -4.952 11.606 -1.587 1.00 0.00 C ATOM 839 CG MET A 82 -4.493 10.444 -0.720 1.00 0.00 C ATOM 840 SD MET A 82 -2.895 9.744 -1.173 1.00 0.00 S ATOM 841 CE MET A 82 -3.368 8.961 -2.723 1.00 0.00 C ATOM 0 H MET A 82 -6.177 13.706 -2.478 1.00 0.00 H new ATOM 0 HA MET A 82 -7.022 11.055 -1.409 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.813 11.353 -2.638 1.00 0.00 H new ATOM 0 HB3 MET A 82 -4.331 12.478 -1.384 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.446 10.779 0.316 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.245 9.656 -0.766 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.489 8.513 -3.188 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.110 8.186 -2.528 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.792 9.708 -3.394 1.00 0.00 H new ATOM 851 N ASN A 83 -6.507 13.783 0.242 1.00 0.00 N ATOM 852 CA ASN A 83 -6.581 14.608 1.454 1.00 0.00 C ATOM 853 C ASN A 83 -7.996 14.723 2.024 1.00 0.00 C ATOM 854 O ASN A 83 -8.283 15.666 2.760 1.00 0.00 O ATOM 855 CB ASN A 83 -6.052 16.021 1.130 1.00 0.00 C ATOM 856 CG ASN A 83 -4.831 15.938 0.241 1.00 0.00 C ATOM 857 OD1 ASN A 83 -3.731 15.686 0.732 1.00 0.00 O ATOM 858 ND2 ASN A 83 -5.072 15.932 -1.066 1.00 0.00 N ATOM 0 H ASN A 83 -6.305 14.369 -0.568 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.972 14.117 2.213 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.830 16.603 0.636 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.802 16.543 2.054 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.323 15.710 -1.722 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.006 16.150 -1.413 1.00 0.00 H new ATOM 865 N LEU A 84 -8.913 13.867 1.582 1.00 0.00 N ATOM 866 CA LEU A 84 -10.332 13.885 1.904 1.00 0.00 C ATOM 867 C LEU A 84 -10.852 12.475 2.254 1.00 0.00 C ATOM 868 O LEU A 84 -12.038 12.301 2.521 1.00 0.00 O ATOM 869 CB LEU A 84 -11.154 14.601 0.813 1.00 0.00 C ATOM 870 CG LEU A 84 -10.673 14.507 -0.642 1.00 0.00 C ATOM 871 CD1 LEU A 84 -9.393 15.300 -0.916 1.00 0.00 C ATOM 872 CD2 LEU A 84 -10.612 13.052 -1.101 1.00 0.00 C ATOM 0 H LEU A 84 -8.670 13.100 0.955 1.00 0.00 H new ATOM 0 HA LEU A 84 -10.467 14.480 2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -12.171 14.210 0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.208 15.657 1.077 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.420 15.002 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.112 15.188 -1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.564 16.354 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.589 14.924 -0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.269 13.011 -2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.920 12.499 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -11.604 12.606 -1.030 1.00 0.00 H new ATOM 884 N LEU A 85 -9.981 11.460 2.271 1.00 0.00 N ATOM 885 CA LEU A 85 -10.276 10.127 2.810 1.00 0.00 C ATOM 886 C LEU A 85 -10.023 10.129 4.328 1.00 0.00 C ATOM 887 O LEU A 85 -9.447 11.091 4.842 1.00 0.00 O ATOM 888 CB LEU A 85 -9.369 9.105 2.111 1.00 0.00 C ATOM 889 CG LEU A 85 -9.769 8.807 0.650 1.00 0.00 C ATOM 890 CD1 LEU A 85 -8.566 8.775 -0.288 1.00 0.00 C ATOM 891 CD2 LEU A 85 -10.476 7.451 0.559 1.00 0.00 C ATOM 0 H LEU A 85 -9.033 11.543 1.904 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.318 9.862 2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.343 9.473 2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.383 8.174 2.678 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.433 9.615 0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.902 8.562 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.063 9.742 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.873 7.999 0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.753 7.254 -0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.806 6.667 0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.373 7.466 1.177 1.00 0.00 H new ATOM 903 N ALA A 86 -10.422 9.085 5.063 1.00 0.00 N ATOM 904 CA ALA A 86 -10.174 8.981 6.507 1.00 0.00 C ATOM 905 C ALA A 86 -8.845 8.295 6.823 1.00 0.00 C ATOM 906 O ALA A 86 -8.245 7.650 5.961 1.00 0.00 O ATOM 907 CB ALA A 86 -11.289 8.182 7.175 1.00 0.00 C ATOM 0 H ALA A 86 -10.926 8.288 4.674 1.00 0.00 H new ATOM 0 HA ALA A 86 -10.140 10.001 6.890 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.095 8.111 8.245 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.243 8.683 7.012 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.326 7.181 6.746 1.00 0.00 H new ATOM 913 N ASP A 87 -8.434 8.322 8.090 1.00 0.00 N ATOM 914 CA ASP A 87 -7.200 7.690 8.577 1.00 0.00 C ATOM 915 C ASP A 87 -7.301 6.171 8.624 1.00 0.00 C ATOM 916 O ASP A 87 -6.290 5.489 8.797 1.00 0.00 O ATOM 917 CB ASP A 87 -6.838 8.223 9.971 1.00 0.00 C ATOM 918 CG ASP A 87 -6.567 9.721 9.946 1.00 0.00 C ATOM 919 OD1 ASP A 87 -7.046 10.444 10.853 1.00 0.00 O ATOM 920 OD2 ASP A 87 -5.905 10.195 8.997 1.00 0.00 O ATOM 0 H ASP A 87 -8.959 8.794 8.826 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.415 7.948 7.866 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.652 8.012 10.665 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.958 7.700 10.344 1.00 0.00 H new ATOM 926 N ASP A 88 -8.496 5.632 8.390 1.00 0.00 N ATOM 927 CA ASP A 88 -8.815 4.225 8.326 1.00 0.00 C ATOM 928 C ASP A 88 -9.721 3.926 7.159 1.00 0.00 C ATOM 929 O ASP A 88 -10.473 2.945 7.189 1.00 0.00 O ATOM 930 CB ASP A 88 -9.558 3.859 9.591 1.00 0.00 C ATOM 931 CG ASP A 88 -10.698 4.794 9.985 1.00 0.00 C ATOM 932 OD1 ASP A 88 -11.744 4.801 9.298 1.00 0.00 O ATOM 933 OD2 ASP A 88 -10.515 5.544 10.968 1.00 0.00 O ATOM 0 H ASP A 88 -9.317 6.216 8.230 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.891 3.659 8.213 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.962 2.853 9.475 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.843 3.822 10.413 1.00 0.00 H new ATOM 939 N ALA A 89 -9.501 4.636 6.060 1.00 0.00 N ATOM 940 CA ALA A 89 -10.290 4.423 4.876 1.00 0.00 C ATOM 941 C ALA A 89 -9.410 3.804 3.810 1.00 0.00 C ATOM 942 O ALA A 89 -8.315 4.319 3.588 1.00 0.00 O ATOM 943 CB ALA A 89 -10.862 5.738 4.366 1.00 0.00 C ATOM 0 H ALA A 89 -8.785 5.358 5.974 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.120 3.758 5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.455 5.554 3.470 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -11.494 6.182 5.135 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.047 6.421 4.127 1.00 0.00 H new ATOM 949 N CYS A 90 -9.893 2.751 3.155 1.00 0.00 N ATOM 950 CA CYS A 90 -9.185 2.038 2.104 1.00 0.00 C ATOM 951 C CYS A 90 -8.944 2.945 0.892 1.00 0.00 C ATOM 952 O CYS A 90 -9.794 3.030 0.002 1.00 0.00 O ATOM 953 CB CYS A 90 -10.010 0.813 1.699 1.00 0.00 C ATOM 954 SG CYS A 90 -10.277 -0.415 3.005 1.00 0.00 S ATOM 0 H CYS A 90 -10.816 2.362 3.349 1.00 0.00 H new ATOM 0 HA CYS A 90 -8.211 1.721 2.477 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -10.981 1.153 1.340 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -9.514 0.324 0.860 1.00 0.00 H new ATOM 0 HG CYS A 90 -9.243 -0.443 3.793 1.00 0.00 H new ATOM 960 N VAL A 91 -7.791 3.610 0.833 1.00 0.00 N ATOM 961 CA VAL A 91 -7.369 4.386 -0.325 1.00 0.00 C ATOM 962 C VAL A 91 -7.251 3.427 -1.507 1.00 0.00 C ATOM 963 O VAL A 91 -6.761 2.305 -1.343 1.00 0.00 O ATOM 964 CB VAL A 91 -6.013 5.074 -0.071 1.00 0.00 C ATOM 965 CG1 VAL A 91 -5.649 6.045 -1.200 1.00 0.00 C ATOM 966 CG2 VAL A 91 -6.057 5.871 1.227 1.00 0.00 C ATOM 0 H VAL A 91 -7.118 3.623 1.599 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.100 5.169 -0.528 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.265 4.283 -0.016 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.687 6.510 -0.984 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.586 5.500 -2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.415 6.816 -1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.092 6.351 1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.834 6.632 1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.276 5.201 2.058 1.00 0.00 H new ATOM 976 N PRO A 92 -7.686 3.816 -2.711 1.00 0.00 N ATOM 977 CA PRO A 92 -7.354 3.067 -3.902 1.00 0.00 C ATOM 978 C PRO A 92 -5.925 3.402 -4.326 1.00 0.00 C ATOM 979 O PRO A 92 -5.721 4.166 -5.270 1.00 0.00 O ATOM 980 CB PRO A 92 -8.422 3.429 -4.922 1.00 0.00 C ATOM 981 CG PRO A 92 -8.829 4.841 -4.518 1.00 0.00 C ATOM 982 CD PRO A 92 -8.546 4.947 -3.018 1.00 0.00 C ATOM 0 HA PRO A 92 -7.358 1.986 -3.764 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -8.033 3.398 -5.940 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.266 2.740 -4.882 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -8.261 5.586 -5.076 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.883 5.019 -4.730 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.057 5.891 -2.775 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.469 4.908 -2.440 1.00 0.00 H new ATOM 990 N LEU A 93 -4.927 2.873 -3.609 1.00 0.00 N ATOM 991 CA LEU A 93 -3.520 3.155 -3.887 1.00 0.00 C ATOM 992 C LEU A 93 -3.216 2.830 -5.339 1.00 0.00 C ATOM 993 O LEU A 93 -2.730 3.696 -6.059 1.00 0.00 O ATOM 994 CB LEU A 93 -2.597 2.422 -2.890 1.00 0.00 C ATOM 995 CG LEU A 93 -1.064 2.538 -3.080 1.00 0.00 C ATOM 996 CD1 LEU A 93 -0.498 1.766 -4.269 1.00 0.00 C ATOM 997 CD2 LEU A 93 -0.552 3.974 -3.151 1.00 0.00 C ATOM 0 H LEU A 93 -5.074 2.240 -2.823 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.322 4.217 -3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.835 2.784 -1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.855 1.363 -2.916 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.696 2.070 -2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.581 1.911 -4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.717 0.705 -4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.954 2.131 -5.190 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.530 3.968 -3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.019 4.486 -3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.801 4.495 -2.226 1.00 0.00 H new ATOM 1009 N THR A 94 -3.521 1.610 -5.773 1.00 0.00 N ATOM 1010 CA THR A 94 -3.131 1.129 -7.088 1.00 0.00 C ATOM 1011 C THR A 94 -3.981 1.720 -8.222 1.00 0.00 C ATOM 1012 O THR A 94 -3.739 1.368 -9.378 1.00 0.00 O ATOM 1013 CB THR A 94 -3.116 -0.413 -7.075 1.00 0.00 C ATOM 1014 OG1 THR A 94 -4.319 -0.941 -6.547 1.00 0.00 O ATOM 1015 CG2 THR A 94 -1.986 -0.940 -6.193 1.00 0.00 C ATOM 0 H THR A 94 -4.045 0.931 -5.221 1.00 0.00 H new ATOM 0 HA THR A 94 -2.123 1.482 -7.305 1.00 0.00 H new ATOM 0 HB THR A 94 -2.985 -0.723 -8.112 1.00 0.00 H new ATOM 0 HG1 THR A 94 -4.278 -1.920 -6.554 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.997 -2.030 -6.200 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.030 -0.584 -6.576 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.124 -0.583 -5.173 1.00 0.00 H new ATOM 1023 N THR A 95 -4.958 2.595 -7.950 1.00 0.00 N ATOM 1024 CA THR A 95 -5.755 3.227 -8.998 1.00 0.00 C ATOM 1025 C THR A 95 -5.467 4.728 -8.992 1.00 0.00 C ATOM 1026 O THR A 95 -5.139 5.318 -10.019 1.00 0.00 O ATOM 1027 CB THR A 95 -7.238 2.882 -8.781 1.00 0.00 C ATOM 1028 OG1 THR A 95 -7.364 1.519 -8.409 1.00 0.00 O ATOM 1029 CG2 THR A 95 -8.076 3.162 -10.025 1.00 0.00 C ATOM 0 H THR A 95 -5.213 2.880 -7.004 1.00 0.00 H new ATOM 0 HA THR A 95 -5.491 2.854 -9.988 1.00 0.00 H new ATOM 0 HB THR A 95 -7.614 3.520 -7.981 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.310 1.304 -8.270 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.117 2.904 -9.828 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.006 4.219 -10.280 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.705 2.563 -10.856 1.00 0.00 H new ATOM 1037 N MET A 96 -5.538 5.358 -7.822 1.00 0.00 N ATOM 1038 CA MET A 96 -5.327 6.788 -7.659 1.00 0.00 C ATOM 1039 C MET A 96 -3.841 7.160 -7.719 1.00 0.00 C ATOM 1040 O MET A 96 -3.508 8.340 -7.820 1.00 0.00 O ATOM 1041 CB MET A 96 -5.978 7.203 -6.338 1.00 0.00 C ATOM 1042 CG MET A 96 -6.462 8.646 -6.352 1.00 0.00 C ATOM 1043 SD MET A 96 -7.670 9.007 -5.046 1.00 0.00 S ATOM 1044 CE MET A 96 -6.591 8.911 -3.609 1.00 0.00 C ATOM 0 H MET A 96 -5.748 4.878 -6.947 1.00 0.00 H new ATOM 0 HA MET A 96 -5.789 7.331 -8.484 1.00 0.00 H new ATOM 0 HB2 MET A 96 -6.820 6.543 -6.129 1.00 0.00 H new ATOM 0 HB3 MET A 96 -5.262 7.072 -5.527 1.00 0.00 H new ATOM 0 HG2 MET A 96 -5.606 9.311 -6.240 1.00 0.00 H new ATOM 0 HG3 MET A 96 -6.909 8.863 -7.322 1.00 0.00 H new ATOM 0 HE1 MET A 96 -7.194 8.912 -2.701 1.00 0.00 H new ATOM 0 HE2 MET A 96 -6.005 7.993 -3.654 1.00 0.00 H new ATOM 0 HE3 MET A 96 -5.919 9.770 -3.600 1.00 0.00 H new ATOM 1054 N VAL A 97 -2.941 6.173 -7.689 1.00 0.00 N ATOM 1055 CA VAL A 97 -1.528 6.339 -7.965 1.00 0.00 C ATOM 1056 C VAL A 97 -1.195 5.329 -9.066 1.00 0.00 C ATOM 1057 O VAL A 97 -1.279 4.114 -8.870 1.00 0.00 O ATOM 1058 CB VAL A 97 -0.688 6.223 -6.675 1.00 0.00 C ATOM 1059 CG1 VAL A 97 0.772 6.590 -6.958 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -1.219 7.140 -5.550 1.00 0.00 C ATOM 0 H VAL A 97 -3.193 5.210 -7.464 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.277 7.337 -8.325 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.763 5.188 -6.342 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.353 6.504 -6.040 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.178 5.913 -7.709 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.825 7.615 -7.326 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.597 7.025 -4.662 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.189 8.178 -5.882 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.246 6.865 -5.311 1.00 0.00 H new ATOM 1070 N GLN A 98 -0.887 5.836 -10.258 1.00 0.00 N ATOM 1071 CA GLN A 98 -0.345 5.057 -11.366 1.00 0.00 C ATOM 1072 C GLN A 98 1.096 4.642 -11.024 1.00 0.00 C ATOM 1073 O GLN A 98 1.688 5.212 -10.102 1.00 0.00 O ATOM 1074 CB GLN A 98 -0.416 5.919 -12.635 1.00 0.00 C ATOM 1075 CG GLN A 98 -0.642 5.058 -13.880 1.00 0.00 C ATOM 1076 CD GLN A 98 -0.691 5.891 -15.155 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -1.137 7.036 -15.160 1.00 0.00 O ATOM 1078 NE2 GLN A 98 -0.240 5.329 -16.259 1.00 0.00 N ATOM 0 H GLN A 98 -1.011 6.823 -10.484 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.918 4.146 -11.538 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.224 6.644 -12.540 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.509 6.485 -12.745 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.157 4.321 -13.960 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.575 4.505 -13.773 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.126 4.377 -16.234 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.257 5.846 -17.138 1.00 0.00 H new ATOM 1087 N ASP A 99 1.664 3.672 -11.753 1.00 0.00 N ATOM 1088 CA ASP A 99 2.958 2.993 -11.521 1.00 0.00 C ATOM 1089 C ASP A 99 2.982 2.157 -10.237 1.00 0.00 C ATOM 1090 O ASP A 99 3.575 1.076 -10.196 1.00 0.00 O ATOM 1091 CB ASP A 99 4.142 3.973 -11.542 1.00 0.00 C ATOM 1092 CG ASP A 99 5.504 3.278 -11.453 1.00 0.00 C ATOM 1093 OD1 ASP A 99 6.390 3.778 -10.716 1.00 0.00 O ATOM 1094 OD2 ASP A 99 5.786 2.390 -12.286 1.00 0.00 O ATOM 0 H ASP A 99 1.200 3.310 -12.586 1.00 0.00 H new ATOM 0 HA ASP A 99 3.069 2.303 -12.357 1.00 0.00 H new ATOM 0 HB2 ASP A 99 4.101 4.562 -12.458 1.00 0.00 H new ATOM 0 HB3 ASP A 99 4.042 4.670 -10.710 1.00 0.00 H new ATOM 1100 N ALA A 100 2.303 2.644 -9.201 1.00 0.00 N ATOM 1101 CA ALA A 100 2.216 2.064 -7.885 1.00 0.00 C ATOM 1102 C ALA A 100 1.509 0.716 -7.900 1.00 0.00 C ATOM 1103 O ALA A 100 0.635 0.445 -8.731 1.00 0.00 O ATOM 1104 CB ALA A 100 1.469 3.034 -6.974 1.00 0.00 C ATOM 0 H ALA A 100 1.769 3.510 -9.275 1.00 0.00 H new ATOM 0 HA ALA A 100 3.227 1.891 -7.516 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.395 2.609 -5.973 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.010 3.979 -6.928 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.468 3.207 -7.370 1.00 0.00 H new ATOM 1110 N THR A 101 1.861 -0.113 -6.929 1.00 0.00 N ATOM 1111 CA THR A 101 1.465 -1.512 -6.866 1.00 0.00 C ATOM 1112 C THR A 101 1.364 -1.926 -5.400 1.00 0.00 C ATOM 1113 O THR A 101 1.969 -1.290 -4.532 1.00 0.00 O ATOM 1114 CB THR A 101 2.498 -2.377 -7.621 1.00 0.00 C ATOM 1115 OG1 THR A 101 3.824 -1.951 -7.348 1.00 0.00 O ATOM 1116 CG2 THR A 101 2.301 -2.363 -9.136 1.00 0.00 C ATOM 0 H THR A 101 2.444 0.175 -6.144 1.00 0.00 H new ATOM 0 HA THR A 101 0.495 -1.656 -7.341 1.00 0.00 H new ATOM 0 HB THR A 101 2.339 -3.392 -7.258 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.457 -2.517 -7.837 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.058 -2.990 -9.607 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.310 -2.748 -9.378 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.394 -1.342 -9.506 1.00 0.00 H new ATOM 1124 N ALA A 102 0.615 -2.998 -5.138 1.00 0.00 N ATOM 1125 CA ALA A 102 0.423 -3.631 -3.850 1.00 0.00 C ATOM 1126 C ALA A 102 0.458 -5.160 -4.002 1.00 0.00 C ATOM 1127 O ALA A 102 -0.495 -5.870 -3.660 1.00 0.00 O ATOM 1128 CB ALA A 102 -0.891 -3.118 -3.260 1.00 0.00 C ATOM 0 H ALA A 102 0.095 -3.473 -5.876 1.00 0.00 H new ATOM 0 HA ALA A 102 1.228 -3.377 -3.161 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -1.059 -3.581 -2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.839 -2.036 -3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.714 -3.371 -3.929 1.00 0.00 H new ATOM 1134 N HIS A 103 1.567 -5.657 -4.551 1.00 0.00 N ATOM 1135 CA HIS A 103 1.834 -7.075 -4.733 1.00 0.00 C ATOM 1136 C HIS A 103 2.069 -7.690 -3.353 1.00 0.00 C ATOM 1137 O HIS A 103 3.015 -7.324 -2.665 1.00 0.00 O ATOM 1138 CB HIS A 103 3.018 -7.248 -5.715 1.00 0.00 C ATOM 1139 CG HIS A 103 3.904 -8.473 -5.576 1.00 0.00 C ATOM 1140 ND1 HIS A 103 3.565 -9.723 -5.135 1.00 0.00 N flip ATOM 1141 CD2 HIS A 103 5.242 -8.527 -5.901 1.00 0.00 C flip ATOM 1142 CE1 HIS A 103 4.691 -10.542 -5.201 1.00 0.00 C flip ATOM 1143 NE2 HIS A 103 5.686 -9.769 -5.658 1.00 0.00 N flip ATOM 0 H HIS A 103 2.323 -5.062 -4.890 1.00 0.00 H new ATOM 0 HA HIS A 103 0.993 -7.603 -5.183 1.00 0.00 H new ATOM 0 HB2 HIS A 103 2.612 -7.246 -6.727 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.654 -6.367 -5.625 1.00 0.00 H new ATOM 0 HD2 HIS A 103 5.832 -7.709 -6.286 1.00 0.00 H new ATOM 0 HE1 HIS A 103 4.750 -11.588 -4.937 1.00 0.00 H new ATOM 0 HE2 HIS A 103 6.646 -10.082 -5.801 1.00 0.00 H new ATOM 1152 N LEU A 104 1.199 -8.610 -2.934 1.00 0.00 N ATOM 1153 CA LEU A 104 1.417 -9.414 -1.738 1.00 0.00 C ATOM 1154 C LEU A 104 2.285 -10.607 -2.120 1.00 0.00 C ATOM 1155 O LEU A 104 1.838 -11.467 -2.882 1.00 0.00 O ATOM 1156 CB LEU A 104 0.073 -9.786 -1.065 1.00 0.00 C ATOM 1157 CG LEU A 104 -0.017 -11.143 -0.337 1.00 0.00 C ATOM 1158 CD1 LEU A 104 0.411 -11.052 1.120 1.00 0.00 C ATOM 1159 CD2 LEU A 104 -1.351 -11.852 -0.630 1.00 0.00 C ATOM 0 H LEU A 104 0.324 -8.816 -3.417 1.00 0.00 H new ATOM 0 HA LEU A 104 1.954 -8.849 -0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.169 -9.004 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.702 -9.765 -1.831 1.00 0.00 H new ATOM 0 HG LEU A 104 0.728 -11.820 -0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.329 -12.034 1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.444 -10.710 1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.233 -10.347 1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.380 -12.805 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.177 -11.225 -0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.441 -12.029 -1.702 1.00 0.00 H new ATOM 1171 N ASP A 105 3.492 -10.669 -1.569 1.00 0.00 N ATOM 1172 CA ASP A 105 4.343 -11.846 -1.526 1.00 0.00 C ATOM 1173 C ASP A 105 4.000 -12.666 -0.278 1.00 0.00 C ATOM 1174 O ASP A 105 4.499 -12.391 0.818 1.00 0.00 O ATOM 1175 CB ASP A 105 5.822 -11.424 -1.480 1.00 0.00 C ATOM 1176 CG ASP A 105 6.745 -12.615 -1.712 1.00 0.00 C ATOM 1177 OD1 ASP A 105 7.844 -12.444 -2.287 1.00 0.00 O ATOM 1178 OD2 ASP A 105 6.418 -13.743 -1.307 1.00 0.00 O ATOM 0 H ASP A 105 3.921 -9.860 -1.120 1.00 0.00 H new ATOM 0 HA ASP A 105 4.177 -12.448 -2.419 1.00 0.00 H new ATOM 0 HB2 ASP A 105 6.009 -10.663 -2.238 1.00 0.00 H new ATOM 0 HB3 ASP A 105 6.044 -10.972 -0.513 1.00 0.00 H new ATOM 1184 N VAL A 106 3.117 -13.656 -0.394 1.00 0.00 N ATOM 1185 CA VAL A 106 2.844 -14.609 0.672 1.00 0.00 C ATOM 1186 C VAL A 106 4.007 -15.594 0.889 1.00 0.00 C ATOM 1187 O VAL A 106 4.050 -16.272 1.916 1.00 0.00 O ATOM 1188 CB VAL A 106 1.550 -15.396 0.377 1.00 0.00 C ATOM 1189 CG1 VAL A 106 0.904 -15.758 1.712 1.00 0.00 C ATOM 1190 CG2 VAL A 106 0.466 -14.637 -0.387 1.00 0.00 C ATOM 0 H VAL A 106 2.568 -13.818 -1.238 1.00 0.00 H new ATOM 0 HA VAL A 106 2.722 -14.030 1.587 1.00 0.00 H new ATOM 0 HB VAL A 106 1.871 -16.235 -0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.015 -16.316 1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.592 -16.370 2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.673 -14.847 2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.396 -15.287 -0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.164 -13.760 0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.856 -14.322 -1.355 1.00 0.00 H new ATOM 1200 N GLY A 107 4.952 -15.705 -0.045 1.00 0.00 N ATOM 1201 CA GLY A 107 6.135 -16.530 0.132 1.00 0.00 C ATOM 1202 C GLY A 107 6.996 -15.950 1.246 1.00 0.00 C ATOM 1203 O GLY A 107 7.289 -16.634 2.230 1.00 0.00 O ATOM 0 H GLY A 107 4.914 -15.223 -0.943 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.845 -17.552 0.376 1.00 0.00 H new ATOM 0 HA3 GLY A 107 6.704 -16.573 -0.797 1.00 0.00 H new ATOM 1207 N GLN A 108 7.378 -14.682 1.097 1.00 0.00 N ATOM 1208 CA GLN A 108 8.274 -13.977 1.998 1.00 0.00 C ATOM 1209 C GLN A 108 7.520 -13.240 3.105 1.00 0.00 C ATOM 1210 O GLN A 108 8.138 -12.804 4.076 1.00 0.00 O ATOM 1211 CB GLN A 108 9.189 -13.045 1.169 1.00 0.00 C ATOM 1212 CG GLN A 108 10.492 -12.688 1.896 1.00 0.00 C ATOM 1213 CD GLN A 108 11.283 -13.909 2.375 1.00 0.00 C ATOM 1214 OE1 GLN A 108 11.290 -14.974 1.763 1.00 0.00 O ATOM 1215 NE2 GLN A 108 11.954 -13.808 3.505 1.00 0.00 N ATOM 0 H GLN A 108 7.059 -14.103 0.320 1.00 0.00 H new ATOM 0 HA GLN A 108 8.900 -14.701 2.520 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.428 -13.528 0.221 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.648 -12.129 0.933 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.120 -12.098 1.229 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.258 -12.058 2.754 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.955 -12.928 4.021 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.473 -14.610 3.864 1.00 0.00 H new ATOM 1224 N GLN A 109 6.193 -13.137 2.999 1.00 0.00 N ATOM 1225 CA GLN A 109 5.356 -12.260 3.810 1.00 0.00 C ATOM 1226 C GLN A 109 5.845 -10.814 3.662 1.00 0.00 C ATOM 1227 O GLN A 109 6.093 -10.110 4.642 1.00 0.00 O ATOM 1228 CB GLN A 109 5.239 -12.773 5.257 1.00 0.00 C ATOM 1229 CG GLN A 109 4.670 -14.204 5.287 1.00 0.00 C ATOM 1230 CD GLN A 109 4.335 -14.697 6.694 1.00 0.00 C ATOM 1231 OE1 GLN A 109 5.029 -15.555 7.236 1.00 0.00 O ATOM 1232 NE2 GLN A 109 3.292 -14.181 7.322 1.00 0.00 N ATOM 0 H GLN A 109 5.657 -13.681 2.323 1.00 0.00 H new ATOM 0 HA GLN A 109 4.328 -12.271 3.448 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.219 -12.757 5.733 1.00 0.00 H new ATOM 0 HB3 GLN A 109 4.594 -12.108 5.832 1.00 0.00 H new ATOM 0 HG2 GLN A 109 3.770 -14.242 4.673 1.00 0.00 H new ATOM 0 HG3 GLN A 109 5.393 -14.883 4.835 1.00 0.00 H new ATOM 0 HE21 GLN A 109 2.722 -13.470 6.864 1.00 0.00 H new ATOM 0 HE22 GLN A 109 3.058 -14.494 8.264 1.00 0.00 H new ATOM 1241 N ARG A 110 5.967 -10.371 2.408 1.00 0.00 N ATOM 1242 CA ARG A 110 6.335 -9.007 2.026 1.00 0.00 C ATOM 1243 C ARG A 110 5.149 -8.402 1.307 1.00 0.00 C ATOM 1244 O ARG A 110 4.481 -9.107 0.555 1.00 0.00 O ATOM 1245 CB ARG A 110 7.639 -8.997 1.210 1.00 0.00 C ATOM 1246 CG ARG A 110 8.043 -7.601 0.687 1.00 0.00 C ATOM 1247 CD ARG A 110 9.318 -7.662 -0.168 1.00 0.00 C ATOM 1248 NE ARG A 110 10.544 -7.584 0.645 1.00 0.00 N ATOM 1249 CZ ARG A 110 11.636 -6.831 0.458 1.00 0.00 C ATOM 1250 NH1 ARG A 110 11.775 -5.977 -0.549 1.00 0.00 N ATOM 1251 NH2 ARG A 110 12.650 -6.920 1.304 1.00 0.00 N ATOM 0 H ARG A 110 5.806 -10.975 1.602 1.00 0.00 H new ATOM 0 HA ARG A 110 6.555 -8.391 2.898 1.00 0.00 H new ATOM 0 HB2 ARG A 110 8.446 -9.389 1.829 1.00 0.00 H new ATOM 0 HB3 ARG A 110 7.530 -9.674 0.362 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.228 -7.184 0.096 1.00 0.00 H new ATOM 0 HG3 ARG A 110 8.202 -6.928 1.530 1.00 0.00 H new ATOM 0 HD2 ARG A 110 9.324 -8.589 -0.741 1.00 0.00 H new ATOM 0 HD3 ARG A 110 9.309 -6.843 -0.887 1.00 0.00 H new ATOM 0 HE ARG A 110 10.564 -8.189 1.466 1.00 0.00 H new ATOM 0 HH11 ARG A 110 11.026 -5.868 -1.232 1.00 0.00 H new ATOM 0 HH12 ARG A 110 12.631 -5.430 -0.639 1.00 0.00 H new ATOM 0 HH21 ARG A 110 12.599 -7.561 2.096 1.00 0.00 H new ATOM 0 HH22 ARG A 110 13.483 -6.348 1.164 1.00 0.00 H new ATOM 1265 N LEU A 111 4.842 -7.132 1.566 1.00 0.00 N ATOM 1266 CA LEU A 111 3.856 -6.374 0.818 1.00 0.00 C ATOM 1267 C LEU A 111 4.620 -5.371 -0.007 1.00 0.00 C ATOM 1268 O LEU A 111 5.047 -4.326 0.480 1.00 0.00 O ATOM 1269 CB LEU A 111 2.781 -5.753 1.713 1.00 0.00 C ATOM 1270 CG LEU A 111 1.629 -5.132 0.910 1.00 0.00 C ATOM 1271 CD1 LEU A 111 0.905 -6.033 -0.092 1.00 0.00 C ATOM 1272 CD2 LEU A 111 0.643 -4.501 1.894 1.00 0.00 C ATOM 0 H LEU A 111 5.282 -6.597 2.315 1.00 0.00 H new ATOM 0 HA LEU A 111 3.281 -7.027 0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.383 -6.518 2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.235 -4.987 2.341 1.00 0.00 H new ATOM 0 HG LEU A 111 2.097 -4.393 0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.116 -5.466 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.615 -6.393 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.467 -6.882 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.184 -4.053 1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.259 -5.268 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.151 -3.731 2.475 1.00 0.00 H new ATOM 1284 N ASN A 112 4.867 -5.784 -1.236 1.00 0.00 N ATOM 1285 CA ASN A 112 5.689 -5.159 -2.242 1.00 0.00 C ATOM 1286 C ASN A 112 4.912 -3.951 -2.731 1.00 0.00 C ATOM 1287 O ASN A 112 4.034 -4.046 -3.595 1.00 0.00 O ATOM 1288 CB ASN A 112 5.957 -6.158 -3.369 1.00 0.00 C ATOM 1289 CG ASN A 112 6.572 -7.473 -2.902 1.00 0.00 C ATOM 1290 OD1 ASN A 112 6.068 -8.171 -2.032 1.00 0.00 O ATOM 1291 ND2 ASN A 112 7.701 -7.856 -3.451 1.00 0.00 N ATOM 0 H ASN A 112 4.454 -6.650 -1.583 1.00 0.00 H new ATOM 0 HA ASN A 112 6.660 -4.848 -1.855 1.00 0.00 H new ATOM 0 HB2 ASN A 112 5.019 -6.370 -3.883 1.00 0.00 H new ATOM 0 HB3 ASN A 112 6.623 -5.697 -4.098 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.145 -8.724 -3.151 1.00 0.00 H new ATOM 0 HD22 ASN A 112 8.134 -7.286 -4.177 1.00 0.00 H new ATOM 1298 N LEU A 113 5.182 -2.823 -2.097 1.00 0.00 N ATOM 1299 CA LEU A 113 4.481 -1.574 -2.262 1.00 0.00 C ATOM 1300 C LEU A 113 5.424 -0.679 -3.055 1.00 0.00 C ATOM 1301 O LEU A 113 6.615 -0.585 -2.757 1.00 0.00 O ATOM 1302 CB LEU A 113 4.115 -1.041 -0.853 1.00 0.00 C ATOM 1303 CG LEU A 113 2.631 -0.702 -0.625 1.00 0.00 C ATOM 1304 CD1 LEU A 113 2.253 0.623 -1.286 1.00 0.00 C ATOM 1305 CD2 LEU A 113 1.667 -1.802 -1.088 1.00 0.00 C ATOM 0 H LEU A 113 5.939 -2.757 -1.417 1.00 0.00 H new ATOM 0 HA LEU A 113 3.539 -1.645 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.415 -1.785 -0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.706 -0.145 -0.660 1.00 0.00 H new ATOM 0 HG LEU A 113 2.523 -0.616 0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 113 1.199 0.832 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.859 1.425 -0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.431 0.558 -2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.640 -1.491 -0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 113 1.799 -1.975 -2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 113 1.876 -2.722 -0.543 1.00 0.00 H new ATOM 1317 N THR A 114 4.918 0.000 -4.071 1.00 0.00 N ATOM 1318 CA THR A 114 5.720 0.915 -4.870 1.00 0.00 C ATOM 1319 C THR A 114 4.886 2.163 -5.079 1.00 0.00 C ATOM 1320 O THR A 114 3.667 2.057 -5.178 1.00 0.00 O ATOM 1321 CB THR A 114 6.103 0.233 -6.196 1.00 0.00 C ATOM 1322 OG1 THR A 114 6.798 -0.973 -5.935 1.00 0.00 O ATOM 1323 CG2 THR A 114 6.984 1.121 -7.079 1.00 0.00 C ATOM 0 H THR A 114 3.944 -0.066 -4.365 1.00 0.00 H new ATOM 0 HA THR A 114 6.653 1.187 -4.377 1.00 0.00 H new ATOM 0 HB THR A 114 5.173 0.038 -6.730 1.00 0.00 H new ATOM 0 HG1 THR A 114 7.037 -1.403 -6.783 1.00 0.00 H new ATOM 0 HG21 THR A 114 7.225 0.592 -8.001 1.00 0.00 H new ATOM 0 HG22 THR A 114 6.450 2.041 -7.317 1.00 0.00 H new ATOM 0 HG23 THR A 114 7.905 1.363 -6.548 1.00 0.00 H new ATOM 1331 N ILE A 115 5.534 3.325 -5.154 1.00 0.00 N ATOM 1332 CA ILE A 115 4.944 4.611 -5.490 1.00 0.00 C ATOM 1333 C ILE A 115 6.014 5.375 -6.279 1.00 0.00 C ATOM 1334 O ILE A 115 7.165 5.405 -5.823 1.00 0.00 O ATOM 1335 CB ILE A 115 4.509 5.347 -4.195 1.00 0.00 C ATOM 1336 CG1 ILE A 115 3.257 4.673 -3.594 1.00 0.00 C ATOM 1337 CG2 ILE A 115 4.220 6.828 -4.456 1.00 0.00 C ATOM 1338 CD1 ILE A 115 2.705 5.378 -2.356 1.00 0.00 C ATOM 0 H ILE A 115 6.535 3.393 -4.972 1.00 0.00 H new ATOM 0 HA ILE A 115 4.042 4.514 -6.094 1.00 0.00 H new ATOM 0 HB ILE A 115 5.336 5.282 -3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.478 4.634 -4.355 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.501 3.643 -3.334 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.918 7.309 -3.526 1.00 0.00 H new ATOM 0 HG22 ILE A 115 5.118 7.312 -4.840 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.418 6.919 -5.188 1.00 0.00 H new ATOM 0 HD11 ILE A 115 1.827 4.844 -1.994 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.467 5.394 -1.576 1.00 0.00 H new ATOM 0 HD13 ILE A 115 2.427 6.400 -2.613 1.00 0.00 H new ATOM 1350 N PRO A 116 5.657 5.991 -7.422 1.00 0.00 N ATOM 1351 CA PRO A 116 6.543 6.881 -8.150 1.00 0.00 C ATOM 1352 C PRO A 116 6.834 8.107 -7.283 1.00 0.00 C ATOM 1353 O PRO A 116 5.928 8.660 -6.659 1.00 0.00 O ATOM 1354 CB PRO A 116 5.803 7.242 -9.436 1.00 0.00 C ATOM 1355 CG PRO A 116 4.332 7.078 -9.085 1.00 0.00 C ATOM 1356 CD PRO A 116 4.337 5.969 -8.039 1.00 0.00 C ATOM 0 HA PRO A 116 7.505 6.429 -8.391 1.00 0.00 H new ATOM 0 HB2 PRO A 116 6.025 8.262 -9.749 1.00 0.00 H new ATOM 0 HB3 PRO A 116 6.091 6.586 -10.258 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.909 8.001 -8.689 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.739 6.804 -9.958 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.558 6.134 -7.295 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.139 5.001 -8.499 1.00 0.00 H new ATOM 1364 N GLN A 117 8.093 8.543 -7.247 1.00 0.00 N ATOM 1365 CA GLN A 117 8.575 9.551 -6.302 1.00 0.00 C ATOM 1366 C GLN A 117 7.843 10.899 -6.398 1.00 0.00 C ATOM 1367 O GLN A 117 7.853 11.645 -5.419 1.00 0.00 O ATOM 1368 CB GLN A 117 10.096 9.729 -6.454 1.00 0.00 C ATOM 1369 CG GLN A 117 10.901 8.530 -5.924 1.00 0.00 C ATOM 1370 CD GLN A 117 10.772 8.353 -4.409 1.00 0.00 C ATOM 1371 OE1 GLN A 117 10.846 9.311 -3.650 1.00 0.00 O ATOM 1372 NE2 GLN A 117 10.576 7.140 -3.927 1.00 0.00 N ATOM 0 H GLN A 117 8.816 8.202 -7.881 1.00 0.00 H new ATOM 0 HA GLN A 117 8.349 9.175 -5.304 1.00 0.00 H new ATOM 0 HB2 GLN A 117 10.334 9.882 -7.507 1.00 0.00 H new ATOM 0 HB3 GLN A 117 10.405 10.629 -5.923 1.00 0.00 H new ATOM 0 HG2 GLN A 117 10.562 7.622 -6.422 1.00 0.00 H new ATOM 0 HG3 GLN A 117 11.952 8.661 -6.182 1.00 0.00 H new ATOM 0 HE21 GLN A 117 10.515 6.343 -4.561 1.00 0.00 H new ATOM 0 HE22 GLN A 117 10.486 6.999 -2.921 1.00 0.00 H new ATOM 1381 N ALA A 118 7.143 11.193 -7.498 1.00 0.00 N ATOM 1382 CA ALA A 118 6.249 12.344 -7.599 1.00 0.00 C ATOM 1383 C ALA A 118 5.179 12.358 -6.495 1.00 0.00 C ATOM 1384 O ALA A 118 4.779 13.429 -6.030 1.00 0.00 O ATOM 1385 CB ALA A 118 5.587 12.349 -8.979 1.00 0.00 C ATOM 0 H ALA A 118 7.183 10.632 -8.349 1.00 0.00 H new ATOM 0 HA ALA A 118 6.849 13.244 -7.466 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.919 13.206 -9.059 1.00 0.00 H new ATOM 0 HB2 ALA A 118 6.354 12.414 -9.750 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.016 11.430 -9.112 1.00 0.00 H new ATOM 1391 N PHE A 119 4.732 11.185 -6.032 1.00 0.00 N ATOM 1392 CA PHE A 119 3.728 11.071 -4.992 1.00 0.00 C ATOM 1393 C PHE A 119 4.466 10.716 -3.696 1.00 0.00 C ATOM 1394 O PHE A 119 3.924 10.056 -2.816 1.00 0.00 O ATOM 1395 CB PHE A 119 2.730 9.969 -5.411 1.00 0.00 C ATOM 1396 CG PHE A 119 1.930 10.181 -6.695 1.00 0.00 C ATOM 1397 CD1 PHE A 119 2.567 10.317 -7.941 1.00 0.00 C ATOM 1398 CD2 PHE A 119 0.526 10.109 -6.672 1.00 0.00 C ATOM 1399 CE1 PHE A 119 1.823 10.500 -9.114 1.00 0.00 C ATOM 1400 CE2 PHE A 119 -0.223 10.222 -7.859 1.00 0.00 C ATOM 1401 CZ PHE A 119 0.425 10.454 -9.081 1.00 0.00 C ATOM 0 H PHE A 119 5.066 10.286 -6.378 1.00 0.00 H new ATOM 0 HA PHE A 119 3.167 11.993 -4.840 1.00 0.00 H new ATOM 0 HB2 PHE A 119 3.285 9.036 -5.513 1.00 0.00 H new ATOM 0 HB3 PHE A 119 2.021 9.831 -4.594 1.00 0.00 H new ATOM 0 HD1 PHE A 119 3.645 10.280 -7.995 1.00 0.00 H new ATOM 0 HD2 PHE A 119 0.015 9.965 -5.731 1.00 0.00 H new ATOM 0 HE1 PHE A 119 2.332 10.678 -10.050 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -1.299 10.130 -7.828 1.00 0.00 H new ATOM 0 HZ PHE A 119 -0.148 10.595 -9.985 1.00 0.00 H new ATOM 1411 N MET A 120 5.657 11.273 -3.488 1.00 0.00 N ATOM 1412 CA MET A 120 6.424 11.169 -2.262 1.00 0.00 C ATOM 1413 C MET A 120 6.847 12.582 -1.892 1.00 0.00 C ATOM 1414 O MET A 120 6.642 13.552 -2.636 1.00 0.00 O ATOM 1415 CB MET A 120 7.617 10.199 -2.415 1.00 0.00 C ATOM 1416 CG MET A 120 7.202 8.767 -2.783 1.00 0.00 C ATOM 1417 SD MET A 120 6.120 7.902 -1.597 1.00 0.00 S ATOM 1418 CE MET A 120 7.191 7.723 -0.144 1.00 0.00 C ATOM 0 H MET A 120 6.127 11.830 -4.201 1.00 0.00 H new ATOM 0 HA MET A 120 5.826 10.741 -1.457 1.00 0.00 H new ATOM 0 HB2 MET A 120 8.290 10.582 -3.182 1.00 0.00 H new ATOM 0 HB3 MET A 120 8.179 10.177 -1.481 1.00 0.00 H new ATOM 0 HG2 MET A 120 6.696 8.796 -3.748 1.00 0.00 H new ATOM 0 HG3 MET A 120 8.106 8.173 -2.915 1.00 0.00 H new ATOM 0 HE1 MET A 120 6.635 7.242 0.661 1.00 0.00 H new ATOM 0 HE2 MET A 120 8.056 7.112 -0.403 1.00 0.00 H new ATOM 0 HE3 MET A 120 7.526 8.707 0.184 1.00 0.00 H new ATOM 1428 N SER A 121 7.348 12.715 -0.679 1.00 0.00 N ATOM 1429 CA SER A 121 7.752 13.957 -0.069 1.00 0.00 C ATOM 1430 C SER A 121 9.284 13.933 -0.048 1.00 0.00 C ATOM 1431 O SER A 121 9.917 13.722 0.985 1.00 0.00 O ATOM 1432 CB SER A 121 7.055 14.067 1.291 1.00 0.00 C ATOM 1433 OG SER A 121 7.607 15.044 2.149 1.00 0.00 O ATOM 0 H SER A 121 7.490 11.914 -0.064 1.00 0.00 H new ATOM 0 HA SER A 121 7.456 14.859 -0.604 1.00 0.00 H new ATOM 0 HB2 SER A 121 6.002 14.296 1.129 1.00 0.00 H new ATOM 0 HB3 SER A 121 7.098 13.098 1.788 1.00 0.00 H new ATOM 0 HG SER A 121 7.110 15.056 2.994 1.00 0.00 H new