USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 716 hydrogens (11 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 NoAdj-H: B 238 NLE HN2 : B 238 NLE N : B 237 LEU C :(H bumps) USER MOD NoAdj-H: B 238 NLE H : B 238 NLE N : B 237 LEU C :(H bumps) USER MOD Set 1.1: A 89 ASN : amide:sc= -0.543 K(o=-4.9,f=-10!) USER MOD Set 1.2: B 234 ASN : amide:sc= -4.36! C(o=-4.9!,f=-7.6!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.397 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 52:sc= -0.102 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc=-0.00785 X(o=-0.0079,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0806 USER MOD Single : A 63 THR OG1 : rot 151:sc= 0.0525 USER MOD Single : A 66 GLN : amide:sc= -0.287 K(o=-0.29,f=-4.1!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.244 K(o=-0.24,f=-1.3!) USER MOD Single : A 74 SER OG : rot 134:sc= -0.236 USER MOD Single : A 87 TYR OH : rot 180:sc= -1.72! USER MOD Single : A 92 LYS NZ :NH3+ -110:sc= 0 (180deg=-1) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN :FLIP amide:sc= -0.0696 F(o=-1.1,f=-0.07) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.0781 X(o=-0.078,f=-0.31) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS :FLIP no HD1:sc= -1.91 F(o=-2.5,f=-1.9) USER MOD Single : B 229 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 232 HIS : no HD1:sc= -0.204 X(o=-0.2,f=-0.42) USER MOD Single : B 233 LYS NZ :NH3+ -159:sc= -14.4! (180deg=-15.2!) USER MOD Single : B 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 44 -7.511 6.268 -9.348 1.00 0.00 N ATOM 2 CA TYR A 44 -6.422 7.073 -8.716 1.00 0.00 C ATOM 3 C TYR A 44 -6.345 6.829 -7.207 1.00 0.00 C ATOM 4 O TYR A 44 -7.326 6.425 -6.583 1.00 0.00 O ATOM 5 CB TYR A 44 -6.682 8.560 -8.985 1.00 0.00 C ATOM 6 CG TYR A 44 -5.549 9.260 -9.706 1.00 0.00 C ATOM 7 CD1 TYR A 44 -4.332 9.500 -9.076 1.00 0.00 C ATOM 8 CD2 TYR A 44 -5.701 9.689 -11.017 1.00 0.00 C ATOM 9 CE1 TYR A 44 -3.304 10.143 -9.733 1.00 0.00 C ATOM 10 CE2 TYR A 44 -4.675 10.333 -11.678 1.00 0.00 C ATOM 11 CZ TYR A 44 -3.483 10.558 -11.032 1.00 0.00 C ATOM 12 OH TYR A 44 -2.465 11.204 -11.689 1.00 0.00 O ATOM 0 HA TYR A 44 -5.470 6.768 -9.151 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -7.592 8.658 -9.577 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.863 9.065 -8.036 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -4.190 9.177 -8.055 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -6.637 9.516 -11.528 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.364 10.320 -9.231 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.808 10.659 -12.699 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.753 11.429 -12.598 1.00 0.00 H new ATOM 22 N CYS A 45 -5.173 7.085 -6.634 1.00 0.00 N ATOM 23 CA CYS A 45 -4.953 6.905 -5.199 1.00 0.00 C ATOM 24 C CYS A 45 -5.172 8.203 -4.413 1.00 0.00 C ATOM 25 O CYS A 45 -5.401 8.163 -3.207 1.00 0.00 O ATOM 26 CB CYS A 45 -3.534 6.395 -4.943 1.00 0.00 C ATOM 27 SG CYS A 45 -3.251 5.808 -3.246 1.00 0.00 S ATOM 0 H CYS A 45 -4.355 7.420 -7.143 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.683 6.173 -4.853 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.321 5.582 -5.637 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.827 7.195 -5.162 1.00 0.00 H new ATOM 32 N HIS A 46 -5.076 9.351 -5.090 1.00 0.00 N ATOM 33 CA HIS A 46 -5.238 10.644 -4.427 1.00 0.00 C ATOM 34 C HIS A 46 -6.655 11.211 -4.593 1.00 0.00 C ATOM 35 O HIS A 46 -7.485 11.080 -3.693 1.00 0.00 O ATOM 36 CB HIS A 46 -4.198 11.637 -4.964 1.00 0.00 C ATOM 37 CG HIS A 46 -2.780 11.238 -4.690 1.00 0.00 C ATOM 38 ND1 HIS A 46 -2.044 11.747 -3.640 1.00 0.00 N ATOM 39 CD2 HIS A 46 -1.957 10.382 -5.341 1.00 0.00 C ATOM 40 CE1 HIS A 46 -0.831 11.221 -3.658 1.00 0.00 C ATOM 41 NE2 HIS A 46 -0.753 10.390 -4.679 1.00 0.00 N ATOM 0 H HIS A 46 -4.888 9.410 -6.091 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.080 10.490 -3.360 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.334 11.744 -6.040 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.382 12.616 -4.521 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.202 9.801 -6.218 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -0.039 11.435 -2.956 1.00 0.00 H new ATOM 0 HE2 HIS A 46 0.068 9.842 -4.936 1.00 0.00 H new ATOM 50 N ARG A 47 -6.921 11.854 -5.735 1.00 0.00 N ATOM 51 CA ARG A 47 -8.232 12.460 -6.001 1.00 0.00 C ATOM 52 C ARG A 47 -8.269 13.085 -7.404 1.00 0.00 C ATOM 53 O ARG A 47 -7.432 12.758 -8.248 1.00 0.00 O ATOM 54 CB ARG A 47 -8.528 13.533 -4.937 1.00 0.00 C ATOM 55 CG ARG A 47 -9.685 13.188 -4.010 1.00 0.00 C ATOM 56 CD ARG A 47 -10.072 14.377 -3.142 1.00 0.00 C ATOM 57 NE ARG A 47 -9.928 14.083 -1.712 1.00 0.00 N ATOM 58 CZ ARG A 47 -9.473 14.942 -0.806 1.00 0.00 C ATOM 59 NH1 ARG A 47 -9.146 16.176 -1.144 1.00 0.00 N ATOM 60 NH2 ARG A 47 -9.358 14.563 0.451 1.00 0.00 N ATOM 0 H ARG A 47 -6.246 11.969 -6.491 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.994 11.682 -5.955 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.632 13.692 -4.338 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.747 14.476 -5.439 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.545 12.871 -4.600 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.407 12.347 -3.375 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.449 15.233 -3.401 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.104 14.659 -3.352 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.196 13.153 -1.390 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.241 16.482 -2.112 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.798 16.823 -0.437 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.618 13.615 0.724 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.009 15.218 1.151 1.00 0.00 H new ATOM 74 N THR A 48 -9.232 13.994 -7.633 1.00 0.00 N ATOM 75 CA THR A 48 -9.381 14.698 -8.920 1.00 0.00 C ATOM 76 C THR A 48 -10.255 13.915 -9.910 1.00 0.00 C ATOM 77 O THR A 48 -9.747 13.220 -10.789 1.00 0.00 O ATOM 78 CB THR A 48 -8.008 15.008 -9.534 1.00 0.00 C ATOM 79 OG1 THR A 48 -7.091 15.407 -8.532 1.00 0.00 O ATOM 80 CG2 THR A 48 -8.035 16.112 -10.563 1.00 0.00 C ATOM 0 H THR A 48 -9.926 14.261 -6.935 1.00 0.00 H new ATOM 0 HA THR A 48 -9.891 15.639 -8.714 1.00 0.00 H new ATOM 0 HB THR A 48 -7.706 14.081 -10.021 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.222 15.599 -8.942 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.029 16.273 -10.951 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.698 15.831 -11.381 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.397 17.031 -10.102 1.00 0.00 H new ATOM 88 N THR A 49 -11.581 14.063 -9.760 1.00 0.00 N ATOM 89 CA THR A 49 -12.569 13.405 -10.634 1.00 0.00 C ATOM 90 C THR A 49 -12.284 11.907 -10.804 1.00 0.00 C ATOM 91 O THR A 49 -11.807 11.465 -11.853 1.00 0.00 O ATOM 92 CB THR A 49 -12.610 14.107 -11.997 1.00 0.00 C ATOM 93 OG1 THR A 49 -12.982 15.466 -11.847 1.00 0.00 O ATOM 94 CG2 THR A 49 -13.577 13.480 -12.983 1.00 0.00 C ATOM 0 H THR A 49 -11.999 14.641 -9.031 1.00 0.00 H new ATOM 0 HA THR A 49 -13.545 13.490 -10.156 1.00 0.00 H new ATOM 0 HB THR A 49 -11.600 14.005 -12.395 1.00 0.00 H new ATOM 0 HG1 THR A 49 -13.001 15.899 -12.726 1.00 0.00 H new ATOM 0 HG21 THR A 49 -13.548 14.033 -13.922 1.00 0.00 H new ATOM 0 HG22 THR A 49 -13.292 12.443 -13.163 1.00 0.00 H new ATOM 0 HG23 THR A 49 -14.587 13.513 -12.573 1.00 0.00 H new ATOM 102 N ILE A 50 -12.585 11.131 -9.762 1.00 0.00 N ATOM 103 CA ILE A 50 -12.361 9.677 -9.791 1.00 0.00 C ATOM 104 C ILE A 50 -13.618 8.867 -9.439 1.00 0.00 C ATOM 105 O ILE A 50 -13.761 7.720 -9.874 1.00 0.00 O ATOM 106 CB ILE A 50 -11.232 9.261 -8.825 1.00 0.00 C ATOM 107 CG1 ILE A 50 -9.951 10.052 -9.110 1.00 0.00 C ATOM 108 CG2 ILE A 50 -10.967 7.766 -8.931 1.00 0.00 C ATOM 109 CD1 ILE A 50 -9.523 10.018 -10.560 1.00 0.00 C ATOM 0 H ILE A 50 -12.983 11.479 -8.889 1.00 0.00 H new ATOM 0 HA ILE A 50 -12.080 9.452 -10.820 1.00 0.00 H new ATOM 0 HB ILE A 50 -11.553 9.488 -7.808 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.101 11.089 -8.809 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.145 9.655 -8.493 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.168 7.488 -8.243 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -11.873 7.217 -8.675 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.670 7.521 -9.951 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.609 10.600 -10.683 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.340 8.987 -10.861 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.311 10.443 -11.182 1.00 0.00 H new ATOM 121 N GLY A 51 -14.512 9.441 -8.632 1.00 0.00 N ATOM 122 CA GLY A 51 -15.716 8.726 -8.230 1.00 0.00 C ATOM 123 C GLY A 51 -15.480 7.849 -7.014 1.00 0.00 C ATOM 124 O GLY A 51 -16.051 8.092 -5.952 1.00 0.00 O ATOM 0 H GLY A 51 -14.425 10.383 -8.251 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.507 9.443 -8.011 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.065 8.110 -9.059 1.00 0.00 H new ATOM 128 N ASN A 52 -14.623 6.835 -7.170 1.00 0.00 N ATOM 129 CA ASN A 52 -14.292 5.917 -6.081 1.00 0.00 C ATOM 130 C ASN A 52 -15.507 5.071 -5.665 1.00 0.00 C ATOM 131 O ASN A 52 -16.590 5.203 -6.236 1.00 0.00 O ATOM 132 CB ASN A 52 -13.748 6.708 -4.891 1.00 0.00 C ATOM 133 CG ASN A 52 -12.588 7.612 -5.271 1.00 0.00 C ATOM 134 OD1 ASN A 52 -12.699 8.833 -5.236 1.00 0.00 O ATOM 135 ND2 ASN A 52 -11.468 7.014 -5.643 1.00 0.00 N ATOM 0 H ASN A 52 -14.144 6.630 -8.047 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.526 5.227 -6.434 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -14.549 7.311 -4.464 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.424 6.014 -4.116 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.658 7.571 -5.914 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -11.415 5.996 -5.659 1.00 0.00 H new ATOM 142 N PHE A 53 -15.321 4.193 -4.679 1.00 0.00 N ATOM 143 CA PHE A 53 -16.405 3.329 -4.208 1.00 0.00 C ATOM 144 C PHE A 53 -16.606 3.449 -2.693 1.00 0.00 C ATOM 145 O PHE A 53 -15.811 4.081 -1.998 1.00 0.00 O ATOM 146 CB PHE A 53 -16.123 1.874 -4.587 1.00 0.00 C ATOM 147 CG PHE A 53 -16.234 1.598 -6.064 1.00 0.00 C ATOM 148 CD1 PHE A 53 -17.467 1.335 -6.635 1.00 0.00 C ATOM 149 CD2 PHE A 53 -15.111 1.598 -6.880 1.00 0.00 C ATOM 150 CE1 PHE A 53 -17.581 1.077 -7.987 1.00 0.00 C ATOM 151 CE2 PHE A 53 -15.219 1.339 -8.233 1.00 0.00 C ATOM 152 CZ PHE A 53 -16.456 1.078 -8.788 1.00 0.00 C ATOM 0 H PHE A 53 -14.434 4.061 -4.193 1.00 0.00 H new ATOM 0 HA PHE A 53 -17.324 3.657 -4.693 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -15.120 1.609 -4.252 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -16.819 1.228 -4.053 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -18.352 1.331 -6.015 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -14.141 1.803 -6.452 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -18.550 0.874 -8.418 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -14.337 1.341 -8.856 1.00 0.00 H new ATOM 0 HZ PHE A 53 -16.544 0.875 -9.845 1.00 0.00 H new ATOM 162 N SER A 54 -17.676 2.833 -2.191 1.00 0.00 N ATOM 163 CA SER A 54 -17.994 2.867 -0.761 1.00 0.00 C ATOM 164 C SER A 54 -19.178 1.954 -0.419 1.00 0.00 C ATOM 165 O SER A 54 -20.299 2.425 -0.215 1.00 0.00 O ATOM 166 CB SER A 54 -18.301 4.303 -0.316 1.00 0.00 C ATOM 167 OG SER A 54 -18.066 4.471 1.074 1.00 0.00 O ATOM 0 H SER A 54 -18.340 2.302 -2.755 1.00 0.00 H new ATOM 0 HA SER A 54 -17.119 2.499 -0.225 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.682 5.001 -0.879 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.340 4.543 -0.544 1.00 0.00 H new ATOM 0 HG SER A 54 -18.268 5.395 1.331 1.00 0.00 H new ATOM 173 N GLY A 55 -18.920 0.646 -0.353 1.00 0.00 N ATOM 174 CA GLY A 55 -19.974 -0.310 -0.030 1.00 0.00 C ATOM 175 C GLY A 55 -20.034 -0.636 1.455 1.00 0.00 C ATOM 176 O GLY A 55 -19.000 -0.885 2.073 1.00 0.00 O ATOM 0 H GLY A 55 -18.003 0.231 -0.517 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -20.935 0.093 -0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -19.811 -1.229 -0.594 1.00 0.00 H new ATOM 180 N PRO A 56 -21.241 -0.637 2.061 1.00 0.00 N ATOM 181 CA PRO A 56 -21.409 -0.931 3.494 1.00 0.00 C ATOM 182 C PRO A 56 -21.049 -2.369 3.862 1.00 0.00 C ATOM 183 O PRO A 56 -20.366 -2.614 4.857 1.00 0.00 O ATOM 184 CB PRO A 56 -22.897 -0.658 3.752 1.00 0.00 C ATOM 185 CG PRO A 56 -23.551 -0.775 2.417 1.00 0.00 C ATOM 186 CD PRO A 56 -22.527 -0.342 1.403 1.00 0.00 C ATOM 0 HA PRO A 56 -20.740 -0.322 4.103 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -23.313 -1.376 4.459 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -23.048 0.333 4.179 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -23.873 -1.800 2.231 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -24.440 -0.147 2.364 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -22.633 -0.890 0.467 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -22.622 0.717 1.165 1.00 0.00 H new ATOM 194 N TYR A 57 -21.512 -3.310 3.053 1.00 0.00 N ATOM 195 CA TYR A 57 -21.246 -4.731 3.288 1.00 0.00 C ATOM 196 C TYR A 57 -20.475 -5.364 2.122 1.00 0.00 C ATOM 197 O TYR A 57 -20.669 -4.996 0.961 1.00 0.00 O ATOM 198 CB TYR A 57 -22.560 -5.495 3.540 1.00 0.00 C ATOM 199 CG TYR A 57 -23.714 -5.064 2.659 1.00 0.00 C ATOM 200 CD1 TYR A 57 -23.888 -5.610 1.394 1.00 0.00 C ATOM 201 CD2 TYR A 57 -24.630 -4.112 3.095 1.00 0.00 C ATOM 202 CE1 TYR A 57 -24.940 -5.216 0.586 1.00 0.00 C ATOM 203 CE2 TYR A 57 -25.683 -3.717 2.293 1.00 0.00 C ATOM 204 CZ TYR A 57 -25.833 -4.271 1.039 1.00 0.00 C ATOM 205 OH TYR A 57 -26.876 -3.878 0.232 1.00 0.00 O ATOM 0 H TYR A 57 -22.076 -3.120 2.224 1.00 0.00 H new ATOM 0 HA TYR A 57 -20.621 -4.804 4.178 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -22.382 -6.560 3.389 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -22.847 -5.365 4.583 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -23.192 -6.354 1.035 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -24.516 -3.675 4.076 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -25.060 -5.648 -0.396 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -26.386 -2.977 2.647 1.00 0.00 H new ATOM 0 HH TYR A 57 -27.415 -3.206 0.699 1.00 0.00 H new ATOM 215 N THR A 58 -19.605 -6.327 2.457 1.00 0.00 N ATOM 216 CA THR A 58 -18.787 -7.054 1.469 1.00 0.00 C ATOM 217 C THR A 58 -18.206 -6.138 0.377 1.00 0.00 C ATOM 218 O THR A 58 -18.544 -6.268 -0.802 1.00 0.00 O ATOM 219 CB THR A 58 -19.604 -8.199 0.841 1.00 0.00 C ATOM 220 OG1 THR A 58 -20.955 -7.822 0.639 1.00 0.00 O ATOM 221 CG2 THR A 58 -19.619 -9.454 1.687 1.00 0.00 C ATOM 0 H THR A 58 -19.447 -6.626 3.419 1.00 0.00 H new ATOM 0 HA THR A 58 -17.935 -7.469 2.007 1.00 0.00 H new ATOM 0 HB THR A 58 -19.106 -8.406 -0.106 1.00 0.00 H new ATOM 0 HG1 THR A 58 -20.988 -6.976 0.145 1.00 0.00 H new ATOM 0 HG21 THR A 58 -20.211 -10.222 1.189 1.00 0.00 H new ATOM 0 HG22 THR A 58 -18.599 -9.814 1.823 1.00 0.00 H new ATOM 0 HG23 THR A 58 -20.058 -9.232 2.660 1.00 0.00 H new ATOM 229 N TYR A 59 -17.313 -5.221 0.778 1.00 0.00 N ATOM 230 CA TYR A 59 -16.669 -4.290 -0.167 1.00 0.00 C ATOM 231 C TYR A 59 -15.303 -3.799 0.344 1.00 0.00 C ATOM 232 O TYR A 59 -15.097 -3.641 1.546 1.00 0.00 O ATOM 233 CB TYR A 59 -17.574 -3.082 -0.420 1.00 0.00 C ATOM 234 CG TYR A 59 -18.211 -3.055 -1.793 1.00 0.00 C ATOM 235 CD1 TYR A 59 -17.505 -2.604 -2.902 1.00 0.00 C ATOM 236 CD2 TYR A 59 -19.523 -3.470 -1.977 1.00 0.00 C ATOM 237 CE1 TYR A 59 -18.091 -2.568 -4.156 1.00 0.00 C ATOM 238 CE2 TYR A 59 -20.112 -3.438 -3.227 1.00 0.00 C ATOM 239 CZ TYR A 59 -19.394 -2.986 -4.311 1.00 0.00 C ATOM 240 OH TYR A 59 -19.981 -2.952 -5.554 1.00 0.00 O ATOM 0 H TYR A 59 -17.019 -5.102 1.748 1.00 0.00 H new ATOM 0 HA TYR A 59 -16.508 -4.838 -1.095 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -18.362 -3.070 0.333 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -16.990 -2.171 -0.286 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -16.483 -2.276 -2.784 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -20.092 -3.823 -1.130 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -17.529 -2.214 -5.008 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -21.133 -3.767 -3.353 1.00 0.00 H new ATOM 0 HH TYR A 59 -20.902 -3.282 -5.490 1.00 0.00 H new ATOM 250 N CYS A 60 -14.383 -3.537 -0.591 1.00 0.00 N ATOM 251 CA CYS A 60 -13.032 -3.040 -0.257 1.00 0.00 C ATOM 252 C CYS A 60 -12.692 -1.793 -1.094 1.00 0.00 C ATOM 253 O CYS A 60 -13.096 -1.695 -2.252 1.00 0.00 O ATOM 254 CB CYS A 60 -11.976 -4.128 -0.504 1.00 0.00 C ATOM 255 SG CYS A 60 -12.204 -5.650 0.475 1.00 0.00 S ATOM 0 H CYS A 60 -14.545 -3.660 -1.591 1.00 0.00 H new ATOM 0 HA CYS A 60 -13.025 -2.773 0.800 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -11.984 -4.389 -1.562 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -10.991 -3.716 -0.285 1.00 0.00 H new ATOM 260 N ASN A 61 -11.955 -0.838 -0.514 1.00 0.00 N ATOM 261 CA ASN A 61 -11.591 0.392 -1.236 1.00 0.00 C ATOM 262 C ASN A 61 -10.116 0.783 -1.041 1.00 0.00 C ATOM 263 O ASN A 61 -9.356 0.078 -0.376 1.00 0.00 O ATOM 264 CB ASN A 61 -12.500 1.545 -0.791 1.00 0.00 C ATOM 265 CG ASN A 61 -12.443 1.785 0.702 1.00 0.00 C ATOM 266 OD1 ASN A 61 -11.634 2.569 1.187 1.00 0.00 O ATOM 267 ND2 ASN A 61 -13.299 1.101 1.442 1.00 0.00 N ATOM 0 H ASN A 61 -11.602 -0.889 0.441 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.730 0.193 -2.299 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.208 2.456 -1.314 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.528 1.326 -1.082 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -13.302 1.216 2.456 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.956 0.459 0.999 1.00 0.00 H new ATOM 274 N THR A 62 -9.729 1.914 -1.642 1.00 0.00 N ATOM 275 CA THR A 62 -8.352 2.430 -1.564 1.00 0.00 C ATOM 276 C THR A 62 -7.841 2.504 -0.116 1.00 0.00 C ATOM 277 O THR A 62 -8.387 3.232 0.708 1.00 0.00 O ATOM 278 CB THR A 62 -8.267 3.822 -2.204 1.00 0.00 C ATOM 279 OG1 THR A 62 -9.527 4.465 -2.186 1.00 0.00 O ATOM 280 CG2 THR A 62 -7.801 3.807 -3.640 1.00 0.00 C ATOM 0 H THR A 62 -10.357 2.498 -2.195 1.00 0.00 H new ATOM 0 HA THR A 62 -7.719 1.730 -2.110 1.00 0.00 H new ATOM 0 HB THR A 62 -7.531 4.356 -1.602 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.448 5.351 -2.597 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.767 4.827 -4.022 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.806 3.365 -3.695 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.493 3.217 -4.241 1.00 0.00 H new ATOM 288 N THR A 63 -6.785 1.744 0.175 1.00 0.00 N ATOM 289 CA THR A 63 -6.187 1.706 1.517 1.00 0.00 C ATOM 290 C THR A 63 -4.685 2.036 1.466 1.00 0.00 C ATOM 291 O THR A 63 -3.968 1.546 0.589 1.00 0.00 O ATOM 292 CB THR A 63 -6.436 0.316 2.141 1.00 0.00 C ATOM 293 OG1 THR A 63 -7.324 0.408 3.240 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.194 -0.411 2.629 1.00 0.00 C ATOM 0 H THR A 63 -6.321 1.141 -0.504 1.00 0.00 H new ATOM 0 HA THR A 63 -6.657 2.466 2.141 1.00 0.00 H new ATOM 0 HB THR A 63 -6.854 -0.263 1.317 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.825 -0.430 3.327 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.479 -1.376 3.049 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.511 -0.566 1.794 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.700 0.187 3.395 1.00 0.00 H new ATOM 302 N LEU A 64 -4.208 2.858 2.411 1.00 0.00 N ATOM 303 CA LEU A 64 -2.782 3.232 2.465 1.00 0.00 C ATOM 304 C LEU A 64 -2.000 2.325 3.428 1.00 0.00 C ATOM 305 O LEU A 64 -2.586 1.495 4.127 1.00 0.00 O ATOM 306 CB LEU A 64 -2.623 4.703 2.875 1.00 0.00 C ATOM 307 CG LEU A 64 -1.675 5.525 1.992 1.00 0.00 C ATOM 308 CD1 LEU A 64 -2.460 6.485 1.113 1.00 0.00 C ATOM 309 CD2 LEU A 64 -0.676 6.291 2.845 1.00 0.00 C ATOM 0 H LEU A 64 -4.781 3.275 3.144 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.369 3.099 1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.605 5.175 2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.262 4.741 3.903 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.126 4.836 1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.770 7.059 0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.138 5.921 0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.036 7.165 1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.013 6.867 2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.210 6.967 3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.087 5.589 3.435 1.00 0.00 H new ATOM 321 N ASP A 65 -0.671 2.482 3.445 1.00 0.00 N ATOM 322 CA ASP A 65 0.197 1.665 4.301 1.00 0.00 C ATOM 323 C ASP A 65 1.370 2.472 4.879 1.00 0.00 C ATOM 324 O ASP A 65 1.692 3.555 4.385 1.00 0.00 O ATOM 325 CB ASP A 65 0.729 0.482 3.481 1.00 0.00 C ATOM 326 CG ASP A 65 0.075 -0.835 3.838 1.00 0.00 C ATOM 327 OD1 ASP A 65 -0.490 -0.940 4.941 1.00 0.00 O ATOM 328 OD2 ASP A 65 0.130 -1.766 3.005 1.00 0.00 O ATOM 0 H ASP A 65 -0.174 3.167 2.876 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.394 1.311 5.146 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.571 0.683 2.421 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.805 0.398 3.633 1.00 0.00 H new ATOM 333 N GLN A 66 2.024 1.925 5.918 1.00 0.00 N ATOM 334 CA GLN A 66 3.176 2.589 6.553 1.00 0.00 C ATOM 335 C GLN A 66 4.270 2.899 5.524 1.00 0.00 C ATOM 336 O GLN A 66 4.839 3.990 5.518 1.00 0.00 O ATOM 337 CB GLN A 66 3.749 1.716 7.682 1.00 0.00 C ATOM 338 CG GLN A 66 3.953 2.459 9.001 1.00 0.00 C ATOM 339 CD GLN A 66 5.239 3.267 9.042 1.00 0.00 C ATOM 340 OE1 GLN A 66 6.264 2.801 9.531 1.00 0.00 O ATOM 341 NE2 GLN A 66 5.189 4.488 8.534 1.00 0.00 N ATOM 0 H GLN A 66 1.776 1.028 6.335 1.00 0.00 H new ATOM 0 HA GLN A 66 2.825 3.530 6.977 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.078 0.874 7.852 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.704 1.303 7.358 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.107 3.126 9.169 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.958 1.739 9.819 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.318 4.840 8.136 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.021 5.077 8.540 1.00 0.00 H new ATOM 350 N ILE A 67 4.549 1.926 4.653 1.00 0.00 N ATOM 351 CA ILE A 67 5.567 2.074 3.605 1.00 0.00 C ATOM 352 C ILE A 67 5.042 2.863 2.386 1.00 0.00 C ATOM 353 O ILE A 67 5.777 3.083 1.421 1.00 0.00 O ATOM 354 CB ILE A 67 6.071 0.683 3.133 1.00 0.00 C ATOM 355 CG1 ILE A 67 6.707 -0.080 4.290 1.00 0.00 C ATOM 356 CG2 ILE A 67 7.072 0.817 1.991 1.00 0.00 C ATOM 357 CD1 ILE A 67 6.684 -1.584 4.105 1.00 0.00 C ATOM 0 H ILE A 67 4.081 1.020 4.652 1.00 0.00 H new ATOM 0 HA ILE A 67 6.389 2.637 4.046 1.00 0.00 H new ATOM 0 HB ILE A 67 5.207 0.126 2.771 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.740 0.248 4.408 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.185 0.173 5.213 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.407 -0.173 1.682 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.597 1.319 1.148 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.929 1.402 2.325 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.152 -2.064 4.965 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.652 -1.924 4.017 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.231 -1.848 3.200 1.00 0.00 H new ATOM 369 N GLY A 68 3.775 3.286 2.423 1.00 0.00 N ATOM 370 CA GLY A 68 3.209 4.026 1.304 1.00 0.00 C ATOM 371 C GLY A 68 2.584 3.110 0.261 1.00 0.00 C ATOM 372 O GLY A 68 2.503 3.465 -0.916 1.00 0.00 O ATOM 0 H GLY A 68 3.136 3.130 3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.454 4.719 1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.990 4.626 0.836 1.00 0.00 H new ATOM 376 N THR A 69 2.139 1.929 0.695 1.00 0.00 N ATOM 377 CA THR A 69 1.514 0.956 -0.207 1.00 0.00 C ATOM 378 C THR A 69 0.038 1.294 -0.414 1.00 0.00 C ATOM 379 O THR A 69 -0.769 1.174 0.506 1.00 0.00 O ATOM 380 CB THR A 69 1.658 -0.470 0.345 1.00 0.00 C ATOM 381 OG1 THR A 69 3.019 -0.775 0.585 1.00 0.00 O ATOM 382 CG2 THR A 69 1.113 -1.543 -0.576 1.00 0.00 C ATOM 0 H THR A 69 2.199 1.622 1.666 1.00 0.00 H new ATOM 0 HA THR A 69 2.025 1.006 -1.168 1.00 0.00 H new ATOM 0 HB THR A 69 1.072 -0.476 1.264 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.093 -1.686 0.938 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.251 -2.522 -0.116 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.051 -1.370 -0.748 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.644 -1.510 -1.527 1.00 0.00 H new ATOM 390 N CYS A 70 -0.304 1.732 -1.622 1.00 0.00 N ATOM 391 CA CYS A 70 -1.684 2.101 -1.941 1.00 0.00 C ATOM 392 C CYS A 70 -2.484 0.902 -2.453 1.00 0.00 C ATOM 393 O CYS A 70 -2.265 0.424 -3.571 1.00 0.00 O ATOM 394 CB CYS A 70 -1.701 3.225 -2.977 1.00 0.00 C ATOM 395 SG CYS A 70 -3.371 3.793 -3.424 1.00 0.00 S ATOM 0 H CYS A 70 0.352 1.841 -2.396 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.157 2.449 -1.022 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.132 4.070 -2.590 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.191 2.883 -3.878 1.00 0.00 H new ATOM 400 N TRP A 71 -3.416 0.426 -1.630 1.00 0.00 N ATOM 401 CA TRP A 71 -4.258 -0.714 -1.993 1.00 0.00 C ATOM 402 C TRP A 71 -5.599 -0.238 -2.566 1.00 0.00 C ATOM 403 O TRP A 71 -6.490 0.161 -1.819 1.00 0.00 O ATOM 404 CB TRP A 71 -4.495 -1.609 -0.771 1.00 0.00 C ATOM 405 CG TRP A 71 -3.228 -2.148 -0.168 1.00 0.00 C ATOM 406 CD1 TRP A 71 -2.482 -1.579 0.829 1.00 0.00 C ATOM 407 CD2 TRP A 71 -2.556 -3.362 -0.526 1.00 0.00 C ATOM 408 NE1 TRP A 71 -1.399 -2.374 1.117 1.00 0.00 N ATOM 409 CE2 TRP A 71 -1.420 -3.470 0.299 1.00 0.00 C ATOM 410 CE3 TRP A 71 -2.809 -4.373 -1.458 1.00 0.00 C ATOM 411 CZ2 TRP A 71 -0.536 -4.544 0.215 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -1.930 -5.439 -1.541 1.00 0.00 C ATOM 413 CH2 TRP A 71 -0.808 -5.518 -0.707 1.00 0.00 C ATOM 0 H TRP A 71 -3.608 0.812 -0.706 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.741 -1.291 -2.759 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.035 -1.041 -0.014 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -5.134 -2.443 -1.060 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.711 -0.643 1.317 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.693 -2.178 1.827 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -3.675 -4.323 -2.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.332 -4.605 0.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.113 -6.223 -2.261 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -0.144 -6.365 -0.793 1.00 0.00 H new ATOM 424 N PRO A 72 -5.742 -0.259 -3.907 1.00 0.00 N ATOM 425 CA PRO A 72 -6.962 0.187 -4.609 1.00 0.00 C ATOM 426 C PRO A 72 -8.235 -0.598 -4.242 1.00 0.00 C ATOM 427 O PRO A 72 -8.206 -1.542 -3.451 1.00 0.00 O ATOM 428 CB PRO A 72 -6.616 -0.025 -6.092 1.00 0.00 C ATOM 429 CG PRO A 72 -5.505 -1.013 -6.084 1.00 0.00 C ATOM 430 CD PRO A 72 -4.710 -0.696 -4.857 1.00 0.00 C ATOM 0 HA PRO A 72 -7.205 1.214 -4.338 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.475 -0.400 -6.649 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.312 0.909 -6.565 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.886 -2.034 -6.054 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.894 -0.927 -6.983 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.166 -1.567 -4.491 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.973 0.086 -5.043 1.00 0.00 H new ATOM 438 N GLN A 73 -9.355 -0.163 -4.833 1.00 0.00 N ATOM 439 CA GLN A 73 -10.677 -0.760 -4.609 1.00 0.00 C ATOM 440 C GLN A 73 -10.700 -2.276 -4.883 1.00 0.00 C ATOM 441 O GLN A 73 -10.085 -2.756 -5.839 1.00 0.00 O ATOM 442 CB GLN A 73 -11.702 -0.044 -5.496 1.00 0.00 C ATOM 443 CG GLN A 73 -13.110 -0.045 -4.930 1.00 0.00 C ATOM 444 CD GLN A 73 -13.934 -1.217 -5.415 1.00 0.00 C ATOM 445 OE1 GLN A 73 -13.792 -1.670 -6.547 1.00 0.00 O ATOM 446 NE2 GLN A 73 -14.797 -1.723 -4.559 1.00 0.00 N ATOM 0 H GLN A 73 -9.369 0.620 -5.486 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.929 -0.632 -3.556 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.382 0.987 -5.646 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.715 -0.519 -6.477 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.059 -0.068 -3.841 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -13.609 0.884 -5.207 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -14.887 -1.319 -3.627 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.376 -2.519 -4.828 1.00 0.00 H new ATOM 455 N SER A 74 -11.424 -3.016 -4.030 1.00 0.00 N ATOM 456 CA SER A 74 -11.538 -4.479 -4.156 1.00 0.00 C ATOM 457 C SER A 74 -12.853 -4.997 -3.544 1.00 0.00 C ATOM 458 O SER A 74 -13.813 -4.244 -3.381 1.00 0.00 O ATOM 459 CB SER A 74 -10.348 -5.158 -3.454 1.00 0.00 C ATOM 460 OG SER A 74 -9.156 -4.412 -3.613 1.00 0.00 O ATOM 0 H SER A 74 -11.941 -2.625 -3.243 1.00 0.00 H new ATOM 0 HA SER A 74 -11.534 -4.723 -5.218 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.568 -5.272 -2.393 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.208 -6.160 -3.860 1.00 0.00 H new ATOM 0 HG SER A 74 -8.699 -4.337 -2.749 1.00 0.00 H new ATOM 466 N ALA A 75 -12.877 -6.288 -3.188 1.00 0.00 N ATOM 467 CA ALA A 75 -14.058 -6.908 -2.573 1.00 0.00 C ATOM 468 C ALA A 75 -13.664 -8.130 -1.726 1.00 0.00 C ATOM 469 O ALA A 75 -12.520 -8.586 -1.781 1.00 0.00 O ATOM 470 CB ALA A 75 -15.072 -7.300 -3.641 1.00 0.00 C ATOM 0 H ALA A 75 -12.090 -6.925 -3.316 1.00 0.00 H new ATOM 0 HA ALA A 75 -14.518 -6.175 -1.910 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.941 -7.758 -3.168 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.384 -6.412 -4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.618 -8.011 -4.331 1.00 0.00 H new ATOM 476 N PRO A 76 -14.606 -8.671 -0.921 1.00 0.00 N ATOM 477 CA PRO A 76 -14.342 -9.836 -0.059 1.00 0.00 C ATOM 478 C PRO A 76 -14.013 -11.101 -0.849 1.00 0.00 C ATOM 479 O PRO A 76 -14.583 -11.351 -1.916 1.00 0.00 O ATOM 480 CB PRO A 76 -15.646 -10.016 0.722 1.00 0.00 C ATOM 481 CG PRO A 76 -16.683 -9.329 -0.093 1.00 0.00 C ATOM 482 CD PRO A 76 -15.989 -8.186 -0.778 1.00 0.00 C ATOM 0 HA PRO A 76 -13.470 -9.670 0.574 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.884 -11.071 0.854 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.573 -9.578 1.718 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -17.121 -10.011 -0.822 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -17.497 -8.969 0.536 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -16.440 -7.962 -1.745 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -16.036 -7.272 -0.185 1.00 0.00 H new ATOM 490 N GLY A 77 -13.082 -11.894 -0.315 1.00 0.00 N ATOM 491 CA GLY A 77 -12.670 -13.127 -0.978 1.00 0.00 C ATOM 492 C GLY A 77 -11.806 -12.865 -2.201 1.00 0.00 C ATOM 493 O GLY A 77 -11.817 -13.647 -3.154 1.00 0.00 O ATOM 0 H GLY A 77 -12.605 -11.705 0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.118 -13.749 -0.273 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.555 -13.690 -1.275 1.00 0.00 H new ATOM 497 N ALA A 78 -11.068 -11.754 -2.178 1.00 0.00 N ATOM 498 CA ALA A 78 -10.209 -11.379 -3.296 1.00 0.00 C ATOM 499 C ALA A 78 -8.739 -11.272 -2.887 1.00 0.00 C ATOM 500 O ALA A 78 -8.352 -10.354 -2.152 1.00 0.00 O ATOM 501 CB ALA A 78 -10.676 -10.058 -3.888 1.00 0.00 C ATOM 0 H ALA A 78 -11.050 -11.100 -1.396 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.285 -12.169 -4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.030 -9.784 -4.722 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.702 -10.160 -4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.631 -9.281 -3.125 1.00 0.00 H new ATOM 507 N LEU A 79 -7.920 -12.194 -3.391 1.00 0.00 N ATOM 508 CA LEU A 79 -6.489 -12.183 -3.106 1.00 0.00 C ATOM 509 C LEU A 79 -5.808 -11.106 -3.944 1.00 0.00 C ATOM 510 O LEU A 79 -5.476 -11.327 -5.109 1.00 0.00 O ATOM 511 CB LEU A 79 -5.868 -13.555 -3.392 1.00 0.00 C ATOM 512 CG LEU A 79 -4.566 -13.854 -2.642 1.00 0.00 C ATOM 513 CD1 LEU A 79 -4.379 -15.353 -2.472 1.00 0.00 C ATOM 514 CD2 LEU A 79 -3.376 -13.252 -3.372 1.00 0.00 C ATOM 0 H LEU A 79 -8.224 -12.956 -3.997 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.343 -11.960 -2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.598 -14.325 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.677 -13.633 -4.462 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.630 -13.399 -1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.449 -15.545 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.215 -15.762 -1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.339 -15.828 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.461 -13.476 -2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.311 -13.676 -4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.501 -12.172 -3.443 1.00 0.00 H new ATOM 526 N VAL A 80 -5.620 -9.936 -3.349 1.00 0.00 N ATOM 527 CA VAL A 80 -4.993 -8.817 -4.041 1.00 0.00 C ATOM 528 C VAL A 80 -3.477 -8.819 -3.821 1.00 0.00 C ATOM 529 O VAL A 80 -2.994 -8.543 -2.718 1.00 0.00 O ATOM 530 CB VAL A 80 -5.599 -7.474 -3.583 1.00 0.00 C ATOM 531 CG1 VAL A 80 -4.897 -6.311 -4.259 1.00 0.00 C ATOM 532 CG2 VAL A 80 -7.092 -7.432 -3.869 1.00 0.00 C ATOM 0 H VAL A 80 -5.893 -9.736 -2.387 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.187 -8.935 -5.107 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.453 -7.386 -2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.340 -5.373 -3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.838 -6.326 -4.001 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.008 -6.397 -5.340 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.499 -6.477 -3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.261 -7.547 -4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.588 -8.242 -3.334 1.00 0.00 H new ATOM 542 N GLU A 81 -2.732 -9.149 -4.874 1.00 0.00 N ATOM 543 CA GLU A 81 -1.271 -9.208 -4.794 1.00 0.00 C ATOM 544 C GLU A 81 -0.608 -7.898 -5.241 1.00 0.00 C ATOM 545 O GLU A 81 -1.210 -7.075 -5.943 1.00 0.00 O ATOM 546 CB GLU A 81 -0.737 -10.386 -5.625 1.00 0.00 C ATOM 547 CG GLU A 81 -1.102 -10.332 -7.105 1.00 0.00 C ATOM 548 CD GLU A 81 -1.800 -11.592 -7.579 1.00 0.00 C ATOM 549 OE1 GLU A 81 -2.993 -11.764 -7.263 1.00 0.00 O ATOM 550 OE2 GLU A 81 -1.147 -12.404 -8.265 1.00 0.00 O ATOM 0 H GLU A 81 -3.113 -9.379 -5.792 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.013 -9.359 -3.746 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.349 -10.417 -5.532 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.120 -11.315 -5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.749 -9.473 -7.285 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.197 -10.179 -7.693 1.00 0.00 H new ATOM 557 N ARG A 82 0.643 -7.715 -4.823 1.00 0.00 N ATOM 558 CA ARG A 82 1.411 -6.517 -5.171 1.00 0.00 C ATOM 559 C ARG A 82 2.914 -6.745 -5.002 1.00 0.00 C ATOM 560 O ARG A 82 3.348 -7.331 -4.007 1.00 0.00 O ATOM 561 CB ARG A 82 0.987 -5.334 -4.297 1.00 0.00 C ATOM 562 CG ARG A 82 1.264 -3.983 -4.936 1.00 0.00 C ATOM 563 CD ARG A 82 0.491 -3.826 -6.231 1.00 0.00 C ATOM 564 NE ARG A 82 -0.904 -4.229 -6.064 1.00 0.00 N ATOM 565 CZ ARG A 82 -1.858 -3.424 -5.624 1.00 0.00 C ATOM 566 NH1 ARG A 82 -1.556 -2.203 -5.214 1.00 0.00 N ATOM 567 NH2 ARG A 82 -3.098 -3.856 -5.555 1.00 0.00 N ATOM 0 H ARG A 82 1.149 -8.382 -4.241 1.00 0.00 H new ATOM 0 HA ARG A 82 1.204 -6.296 -6.218 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.078 -5.414 -4.081 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.510 -5.391 -3.343 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.988 -3.186 -4.245 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.332 -3.881 -5.131 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.536 -2.788 -6.561 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.956 -4.429 -7.011 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.158 -5.188 -6.301 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.588 -1.882 -5.237 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -2.291 -1.582 -4.875 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -3.323 -4.809 -5.840 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -3.835 -3.238 -5.216 1.00 0.00 H new ATOM 581 N PRO A 83 3.737 -6.272 -5.961 1.00 0.00 N ATOM 582 CA PRO A 83 5.193 -6.420 -5.876 1.00 0.00 C ATOM 583 C PRO A 83 5.743 -5.738 -4.621 1.00 0.00 C ATOM 584 O PRO A 83 5.335 -4.627 -4.281 1.00 0.00 O ATOM 585 CB PRO A 83 5.711 -5.727 -7.145 1.00 0.00 C ATOM 586 CG PRO A 83 4.590 -4.856 -7.599 1.00 0.00 C ATOM 587 CD PRO A 83 3.328 -5.550 -7.177 1.00 0.00 C ATOM 0 HA PRO A 83 5.503 -7.463 -5.809 1.00 0.00 H new ATOM 0 HB2 PRO A 83 6.606 -5.141 -6.936 1.00 0.00 H new ATOM 0 HB3 PRO A 83 5.979 -6.455 -7.910 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.659 -3.865 -7.150 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.616 -4.718 -8.680 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.526 -4.840 -6.974 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.965 -6.230 -7.947 1.00 0.00 H new ATOM 595 N CYS A 84 6.657 -6.412 -3.924 1.00 0.00 N ATOM 596 CA CYS A 84 7.242 -5.863 -2.694 1.00 0.00 C ATOM 597 C CYS A 84 8.005 -4.570 -2.965 1.00 0.00 C ATOM 598 O CYS A 84 9.019 -4.583 -3.665 1.00 0.00 O ATOM 599 CB CYS A 84 8.193 -6.872 -2.039 1.00 0.00 C ATOM 600 SG CYS A 84 7.874 -7.158 -0.272 1.00 0.00 S ATOM 0 H CYS A 84 7.009 -7.333 -4.185 1.00 0.00 H new ATOM 0 HA CYS A 84 6.413 -5.651 -2.019 1.00 0.00 H new ATOM 0 HB2 CYS A 84 8.118 -7.822 -2.569 1.00 0.00 H new ATOM 0 HB3 CYS A 84 9.217 -6.520 -2.159 1.00 0.00 H new ATOM 605 N PRO A 85 7.560 -3.435 -2.385 1.00 0.00 N ATOM 606 CA PRO A 85 8.242 -2.151 -2.558 1.00 0.00 C ATOM 607 C PRO A 85 9.565 -2.117 -1.790 1.00 0.00 C ATOM 608 O PRO A 85 9.769 -1.289 -0.905 1.00 0.00 O ATOM 609 CB PRO A 85 7.244 -1.137 -1.993 1.00 0.00 C ATOM 610 CG PRO A 85 6.446 -1.903 -0.996 1.00 0.00 C ATOM 611 CD PRO A 85 6.386 -3.323 -1.495 1.00 0.00 C ATOM 0 HA PRO A 85 8.508 -1.949 -3.596 1.00 0.00 H new ATOM 0 HB2 PRO A 85 7.756 -0.295 -1.527 1.00 0.00 H new ATOM 0 HB3 PRO A 85 6.608 -0.728 -2.778 1.00 0.00 H new ATOM 0 HG2 PRO A 85 6.910 -1.858 -0.011 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.445 -1.484 -0.897 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.437 -4.038 -0.674 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.458 -3.519 -2.031 1.00 0.00 H new ATOM 619 N GLU A 86 10.452 -3.042 -2.147 1.00 0.00 N ATOM 620 CA GLU A 86 11.769 -3.172 -1.521 1.00 0.00 C ATOM 621 C GLU A 86 12.791 -2.239 -2.172 1.00 0.00 C ATOM 622 O GLU A 86 13.897 -2.053 -1.665 1.00 0.00 O ATOM 623 CB GLU A 86 12.212 -4.632 -1.644 1.00 0.00 C ATOM 624 CG GLU A 86 13.547 -4.977 -0.990 1.00 0.00 C ATOM 625 CD GLU A 86 13.792 -4.307 0.355 1.00 0.00 C ATOM 626 OE1 GLU A 86 12.814 -4.026 1.077 1.00 0.00 O ATOM 627 OE2 GLU A 86 14.976 -4.120 0.703 1.00 0.00 O ATOM 0 H GLU A 86 10.278 -3.727 -2.882 1.00 0.00 H new ATOM 0 HA GLU A 86 11.704 -2.885 -0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.440 -5.265 -1.206 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.270 -4.887 -2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.602 -6.057 -0.857 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.352 -4.698 -1.671 1.00 0.00 H new ATOM 634 N TYR A 87 12.412 -1.644 -3.294 1.00 0.00 N ATOM 635 CA TYR A 87 13.287 -0.734 -4.010 1.00 0.00 C ATOM 636 C TYR A 87 13.218 0.690 -3.432 1.00 0.00 C ATOM 637 O TYR A 87 13.141 1.668 -4.178 1.00 0.00 O ATOM 638 CB TYR A 87 12.890 -0.721 -5.485 1.00 0.00 C ATOM 639 CG TYR A 87 13.594 -1.741 -6.360 1.00 0.00 C ATOM 640 CD1 TYR A 87 13.745 -3.068 -5.957 1.00 0.00 C ATOM 641 CD2 TYR A 87 14.082 -1.377 -7.611 1.00 0.00 C ATOM 642 CE1 TYR A 87 14.366 -3.990 -6.778 1.00 0.00 C ATOM 643 CE2 TYR A 87 14.699 -2.298 -8.433 1.00 0.00 C ATOM 644 CZ TYR A 87 14.838 -3.597 -8.011 1.00 0.00 C ATOM 645 OH TYR A 87 15.452 -4.508 -8.832 1.00 0.00 O ATOM 0 H TYR A 87 11.499 -1.778 -3.728 1.00 0.00 H new ATOM 0 HA TYR A 87 14.314 -1.082 -3.901 1.00 0.00 H new ATOM 0 HB2 TYR A 87 11.815 -0.888 -5.555 1.00 0.00 H new ATOM 0 HB3 TYR A 87 13.085 0.273 -5.887 1.00 0.00 H new ATOM 0 HD1 TYR A 87 13.372 -3.378 -4.992 1.00 0.00 H new ATOM 0 HD2 TYR A 87 13.976 -0.355 -7.945 1.00 0.00 H new ATOM 0 HE1 TYR A 87 14.481 -5.014 -6.454 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.070 -1.999 -9.402 1.00 0.00 H new ATOM 0 HH TYR A 87 15.724 -4.067 -9.664 1.00 0.00 H new ATOM 655 N PHE A 88 13.259 0.811 -2.101 1.00 0.00 N ATOM 656 CA PHE A 88 13.213 2.121 -1.465 1.00 0.00 C ATOM 657 C PHE A 88 14.533 2.426 -0.746 1.00 0.00 C ATOM 658 O PHE A 88 14.558 3.110 0.278 1.00 0.00 O ATOM 659 CB PHE A 88 11.993 2.236 -0.528 1.00 0.00 C ATOM 660 CG PHE A 88 11.993 1.360 0.709 1.00 0.00 C ATOM 661 CD1 PHE A 88 11.833 -0.016 0.619 1.00 0.00 C ATOM 662 CD2 PHE A 88 12.110 1.928 1.971 1.00 0.00 C ATOM 663 CE1 PHE A 88 11.789 -0.800 1.759 1.00 0.00 C ATOM 664 CE2 PHE A 88 12.074 1.147 3.109 1.00 0.00 C ATOM 665 CZ PHE A 88 11.912 -0.218 3.004 1.00 0.00 C ATOM 0 H PHE A 88 13.323 0.025 -1.454 1.00 0.00 H new ATOM 0 HA PHE A 88 13.090 2.878 -2.239 1.00 0.00 H new ATOM 0 HB2 PHE A 88 11.908 3.275 -0.208 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.098 2.006 -1.106 1.00 0.00 H new ATOM 0 HD1 PHE A 88 11.742 -0.480 -0.352 1.00 0.00 H new ATOM 0 HD2 PHE A 88 12.231 2.997 2.064 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.658 -1.869 1.674 1.00 0.00 H new ATOM 0 HE2 PHE A 88 12.173 1.606 4.082 1.00 0.00 H new ATOM 0 HZ PHE A 88 11.881 -0.830 3.893 1.00 0.00 H new ATOM 675 N ASN A 89 15.633 1.922 -1.327 1.00 0.00 N ATOM 676 CA ASN A 89 16.990 2.124 -0.796 1.00 0.00 C ATOM 677 C ASN A 89 18.049 1.761 -1.847 1.00 0.00 C ATOM 678 O ASN A 89 19.023 2.491 -2.038 1.00 0.00 O ATOM 679 CB ASN A 89 17.214 1.283 0.471 1.00 0.00 C ATOM 680 CG ASN A 89 17.334 2.131 1.723 1.00 0.00 C ATOM 681 OD1 ASN A 89 18.350 2.100 2.410 1.00 0.00 O ATOM 682 ND2 ASN A 89 16.295 2.881 2.040 1.00 0.00 N ATOM 0 H ASN A 89 15.606 1.362 -2.179 1.00 0.00 H new ATOM 0 HA ASN A 89 17.090 3.179 -0.543 1.00 0.00 H new ATOM 0 HB2 ASN A 89 16.386 0.584 0.589 1.00 0.00 H new ATOM 0 HB3 ASN A 89 18.120 0.688 0.352 1.00 0.00 H new ATOM 0 HD21 ASN A 89 16.321 3.460 2.880 1.00 0.00 H new ATOM 0 HD22 ASN A 89 15.466 2.882 1.445 1.00 0.00 H new ATOM 689 N GLY A 90 17.844 0.628 -2.523 1.00 0.00 N ATOM 690 CA GLY A 90 18.780 0.179 -3.550 1.00 0.00 C ATOM 691 C GLY A 90 19.176 -1.278 -3.386 1.00 0.00 C ATOM 692 O GLY A 90 20.341 -1.633 -3.573 1.00 0.00 O ATOM 0 H GLY A 90 17.045 0.011 -2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 90 18.330 0.320 -4.533 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.675 0.800 -3.517 1.00 0.00 H new ATOM 696 N ILE A 91 18.206 -2.123 -3.041 1.00 0.00 N ATOM 697 CA ILE A 91 18.452 -3.548 -2.853 1.00 0.00 C ATOM 698 C ILE A 91 17.431 -4.368 -3.632 1.00 0.00 C ATOM 699 O ILE A 91 16.363 -3.864 -3.988 1.00 0.00 O ATOM 700 CB ILE A 91 18.380 -3.962 -1.367 1.00 0.00 C ATOM 701 CG1 ILE A 91 18.924 -2.856 -0.455 1.00 0.00 C ATOM 702 CG2 ILE A 91 19.143 -5.254 -1.137 1.00 0.00 C ATOM 703 CD1 ILE A 91 20.366 -2.488 -0.732 1.00 0.00 C ATOM 0 H ILE A 91 17.238 -1.841 -2.886 1.00 0.00 H new ATOM 0 HA ILE A 91 19.460 -3.743 -3.220 1.00 0.00 H new ATOM 0 HB ILE A 91 17.331 -4.122 -1.117 1.00 0.00 H new ATOM 0 HG12 ILE A 91 18.304 -1.967 -0.569 1.00 0.00 H new ATOM 0 HG13 ILE A 91 18.834 -3.177 0.583 1.00 0.00 H new ATOM 0 HG21 ILE A 91 19.081 -5.530 -0.084 1.00 0.00 H new ATOM 0 HG22 ILE A 91 18.709 -6.047 -1.746 1.00 0.00 H new ATOM 0 HG23 ILE A 91 20.188 -5.114 -1.415 1.00 0.00 H new ATOM 0 HD11 ILE A 91 20.678 -1.700 -0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 91 20.999 -3.364 -0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 91 20.461 -2.135 -1.759 1.00 0.00 H new ATOM 715 N LYS A 92 17.769 -5.631 -3.900 1.00 0.00 N ATOM 716 CA LYS A 92 16.892 -6.528 -4.649 1.00 0.00 C ATOM 717 C LYS A 92 16.985 -6.223 -6.145 1.00 0.00 C ATOM 718 O LYS A 92 17.054 -5.062 -6.546 1.00 0.00 O ATOM 719 CB LYS A 92 15.445 -6.402 -4.170 1.00 0.00 C ATOM 720 CG LYS A 92 14.597 -7.626 -4.468 1.00 0.00 C ATOM 721 CD LYS A 92 14.070 -8.256 -3.190 1.00 0.00 C ATOM 722 CE LYS A 92 12.580 -8.022 -3.034 1.00 0.00 C ATOM 723 NZ LYS A 92 12.131 -8.236 -1.631 1.00 0.00 N ATOM 0 H LYS A 92 18.649 -6.056 -3.607 1.00 0.00 H new ATOM 0 HA LYS A 92 17.218 -7.553 -4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 92 15.441 -6.221 -3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.990 -5.531 -4.642 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.761 -7.345 -5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 92 15.190 -8.356 -5.019 1.00 0.00 H new ATOM 0 HD2 LYS A 92 14.273 -9.327 -3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 92 14.598 -7.839 -2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 92 12.338 -7.005 -3.342 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.035 -8.694 -3.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.553 -9.099 -1.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.961 -8.338 -1.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.565 -7.421 -1.320 1.00 0.00 H new ATOM 737 N TYR A 93 17.015 -7.270 -6.962 1.00 0.00 N ATOM 738 CA TYR A 93 17.130 -7.110 -8.412 1.00 0.00 C ATOM 739 C TYR A 93 16.163 -8.040 -9.149 1.00 0.00 C ATOM 740 O TYR A 93 15.371 -7.595 -9.979 1.00 0.00 O ATOM 741 CB TYR A 93 18.581 -7.362 -8.850 1.00 0.00 C ATOM 742 CG TYR A 93 19.607 -6.607 -8.017 1.00 0.00 C ATOM 743 CD1 TYR A 93 19.759 -6.868 -6.666 1.00 0.00 C ATOM 744 CD2 TYR A 93 20.416 -5.627 -8.579 1.00 0.00 C ATOM 745 CE1 TYR A 93 20.678 -6.187 -5.893 1.00 0.00 C ATOM 746 CE2 TYR A 93 21.343 -4.938 -7.811 1.00 0.00 C ATOM 747 CZ TYR A 93 21.469 -5.221 -6.470 1.00 0.00 C ATOM 748 OH TYR A 93 22.386 -4.533 -5.706 1.00 0.00 O ATOM 0 H TYR A 93 16.962 -8.239 -6.648 1.00 0.00 H new ATOM 0 HA TYR A 93 16.858 -6.087 -8.673 1.00 0.00 H new ATOM 0 HB2 TYR A 93 18.790 -8.430 -8.789 1.00 0.00 H new ATOM 0 HB3 TYR A 93 18.692 -7.075 -9.896 1.00 0.00 H new ATOM 0 HD1 TYR A 93 19.142 -7.625 -6.204 1.00 0.00 H new ATOM 0 HD2 TYR A 93 20.322 -5.398 -9.630 1.00 0.00 H new ATOM 0 HE1 TYR A 93 20.775 -6.412 -4.841 1.00 0.00 H new ATOM 0 HE2 TYR A 93 21.965 -4.181 -8.265 1.00 0.00 H new ATOM 0 HH TYR A 93 22.862 -3.888 -6.269 1.00 0.00 H new ATOM 758 N ASN A 94 16.229 -9.335 -8.831 1.00 0.00 N ATOM 759 CA ASN A 94 15.352 -10.332 -9.454 1.00 0.00 C ATOM 760 C ASN A 94 13.907 -10.182 -8.961 1.00 0.00 C ATOM 761 O ASN A 94 13.007 -9.870 -9.740 1.00 0.00 O ATOM 762 CB ASN A 94 15.871 -11.746 -9.159 1.00 0.00 C ATOM 763 CG ASN A 94 15.854 -12.642 -10.381 1.00 0.00 C ATOM 764 OD1 ASN A 94 14.822 -12.816 -11.019 1.00 0.00 O ATOM 765 ND2 ASN A 94 16.996 -13.220 -10.710 1.00 0.00 N ATOM 0 H ASN A 94 16.880 -9.719 -8.146 1.00 0.00 H new ATOM 0 HA ASN A 94 15.359 -10.167 -10.531 1.00 0.00 H new ATOM 0 HB2 ASN A 94 16.889 -11.682 -8.775 1.00 0.00 H new ATOM 0 HB3 ASN A 94 15.262 -12.196 -8.375 1.00 0.00 H new ATOM 0 HD21 ASN A 94 17.040 -13.837 -11.521 1.00 0.00 H new ATOM 0 HD22 ASN A 94 17.833 -13.049 -10.153 1.00 0.00 H new ATOM 772 N THR A 95 13.699 -10.401 -7.654 1.00 0.00 N ATOM 773 CA THR A 95 12.371 -10.290 -7.036 1.00 0.00 C ATOM 774 C THR A 95 11.364 -11.215 -7.734 1.00 0.00 C ATOM 775 O THR A 95 10.449 -10.758 -8.420 1.00 0.00 O ATOM 776 CB THR A 95 11.886 -8.831 -7.056 1.00 0.00 C ATOM 777 OG1 THR A 95 12.980 -7.933 -7.106 1.00 0.00 O ATOM 778 CG2 THR A 95 11.065 -8.447 -5.843 1.00 0.00 C ATOM 0 H THR A 95 14.440 -10.658 -7.002 1.00 0.00 H new ATOM 0 HA THR A 95 12.450 -10.607 -5.996 1.00 0.00 H new ATOM 0 HB THR A 95 11.262 -8.761 -7.947 1.00 0.00 H new ATOM 0 HG1 THR A 95 12.647 -7.012 -7.120 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.758 -7.404 -5.927 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.181 -9.082 -5.786 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.664 -8.578 -4.942 1.00 0.00 H new ATOM 786 N THR A 96 11.558 -12.524 -7.561 1.00 0.00 N ATOM 787 CA THR A 96 10.687 -13.534 -8.185 1.00 0.00 C ATOM 788 C THR A 96 9.455 -13.882 -7.337 1.00 0.00 C ATOM 789 O THR A 96 8.754 -14.848 -7.638 1.00 0.00 O ATOM 790 CB THR A 96 11.490 -14.807 -8.474 1.00 0.00 C ATOM 791 OG1 THR A 96 12.795 -14.479 -8.910 1.00 0.00 O ATOM 792 CG2 THR A 96 10.867 -15.686 -9.537 1.00 0.00 C ATOM 0 H THR A 96 12.311 -12.914 -6.994 1.00 0.00 H new ATOM 0 HA THR A 96 10.318 -13.097 -9.113 1.00 0.00 H new ATOM 0 HB THR A 96 11.505 -15.358 -7.534 1.00 0.00 H new ATOM 0 HG1 THR A 96 13.296 -15.302 -9.089 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.489 -16.568 -9.690 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.872 -15.994 -9.217 1.00 0.00 H new ATOM 0 HG23 THR A 96 10.791 -15.129 -10.471 1.00 0.00 H new ATOM 800 N ARG A 97 9.170 -13.099 -6.296 1.00 0.00 N ATOM 801 CA ARG A 97 7.998 -13.354 -5.455 1.00 0.00 C ATOM 802 C ARG A 97 7.134 -12.103 -5.334 1.00 0.00 C ATOM 803 O ARG A 97 7.508 -11.029 -5.806 1.00 0.00 O ATOM 804 CB ARG A 97 8.408 -13.841 -4.070 1.00 0.00 C ATOM 805 CG ARG A 97 8.857 -15.288 -4.047 1.00 0.00 C ATOM 806 CD ARG A 97 9.296 -15.685 -2.659 1.00 0.00 C ATOM 807 NE ARG A 97 9.523 -17.124 -2.528 1.00 0.00 N ATOM 808 CZ ARG A 97 10.491 -17.637 -1.786 1.00 0.00 C ATOM 809 NH1 ARG A 97 11.233 -16.843 -1.050 1.00 0.00 N ATOM 810 NH2 ARG A 97 10.698 -18.937 -1.754 1.00 0.00 N ATOM 0 H ARG A 97 9.727 -12.292 -6.016 1.00 0.00 H new ATOM 0 HA ARG A 97 7.414 -14.138 -5.936 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.216 -13.212 -3.697 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.567 -13.719 -3.387 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.042 -15.933 -4.375 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.678 -15.431 -4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 97 10.213 -15.152 -2.406 1.00 0.00 H new ATOM 0 HD3 ARG A 97 8.538 -15.374 -1.940 1.00 0.00 H new ATOM 0 HE ARG A 97 8.907 -17.762 -3.032 1.00 0.00 H new ATOM 0 HH11 ARG A 97 11.062 -15.838 -1.052 1.00 0.00 H new ATOM 0 HH12 ARG A 97 11.981 -17.231 -0.476 1.00 0.00 H new ATOM 0 HH21 ARG A 97 10.109 -19.561 -2.305 1.00 0.00 H new ATOM 0 HH22 ARG A 97 11.448 -19.320 -1.178 1.00 0.00 H new ATOM 824 N ASN A 98 5.971 -12.248 -4.708 1.00 0.00 N ATOM 825 CA ASN A 98 5.051 -11.126 -4.552 1.00 0.00 C ATOM 826 C ASN A 98 4.434 -11.062 -3.153 1.00 0.00 C ATOM 827 O ASN A 98 4.615 -11.963 -2.331 1.00 0.00 O ATOM 828 CB ASN A 98 3.945 -11.229 -5.604 1.00 0.00 C ATOM 829 CG ASN A 98 3.924 -10.038 -6.535 1.00 0.00 C ATOM 830 OD1 ASN A 98 2.814 -9.326 -6.557 1.00 0.00 O flip ATOM 831 ND2 ASN A 98 4.899 -9.755 -7.225 1.00 0.00 N flip ATOM 0 H ASN A 98 5.644 -13.125 -4.303 1.00 0.00 H new ATOM 0 HA ASN A 98 5.623 -10.209 -4.690 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.085 -12.140 -6.186 1.00 0.00 H new ATOM 0 HB3 ASN A 98 2.980 -11.314 -5.105 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.740 -10.331 -7.180 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.868 -8.944 -7.843 1.00 0.00 H new ATOM 838 N ALA A 99 3.694 -9.979 -2.909 1.00 0.00 N ATOM 839 CA ALA A 99 3.019 -9.756 -1.637 1.00 0.00 C ATOM 840 C ALA A 99 1.569 -10.235 -1.703 1.00 0.00 C ATOM 841 O ALA A 99 0.875 -10.001 -2.695 1.00 0.00 O ATOM 842 CB ALA A 99 3.071 -8.282 -1.281 1.00 0.00 C ATOM 0 H ALA A 99 3.548 -9.234 -3.590 1.00 0.00 H new ATOM 0 HA ALA A 99 3.531 -10.329 -0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.565 -8.119 -0.329 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.110 -7.964 -1.198 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.575 -7.702 -2.059 1.00 0.00 H new ATOM 848 N TYR A 100 1.121 -10.919 -0.656 1.00 0.00 N ATOM 849 CA TYR A 100 -0.242 -11.445 -0.618 1.00 0.00 C ATOM 850 C TYR A 100 -1.122 -10.729 0.414 1.00 0.00 C ATOM 851 O TYR A 100 -0.929 -10.880 1.626 1.00 0.00 O ATOM 852 CB TYR A 100 -0.218 -12.946 -0.315 1.00 0.00 C ATOM 853 CG TYR A 100 0.400 -13.794 -1.405 1.00 0.00 C ATOM 854 CD1 TYR A 100 1.768 -13.757 -1.654 1.00 0.00 C ATOM 855 CD2 TYR A 100 -0.383 -14.640 -2.177 1.00 0.00 C ATOM 856 CE1 TYR A 100 2.334 -14.537 -2.644 1.00 0.00 C ATOM 857 CE2 TYR A 100 0.177 -15.426 -3.167 1.00 0.00 C ATOM 858 CZ TYR A 100 1.536 -15.370 -3.395 1.00 0.00 C ATOM 859 OH TYR A 100 2.098 -16.149 -4.378 1.00 0.00 O ATOM 0 H TYR A 100 1.677 -11.122 0.175 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.678 -11.267 -1.601 1.00 0.00 H new ATOM 0 HB2 TYR A 100 0.333 -13.108 0.611 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.239 -13.286 -0.142 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.398 -13.108 -1.064 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.448 -14.685 -2.002 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.397 -14.493 -2.828 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.446 -16.080 -3.759 1.00 0.00 H new ATOM 0 HH TYR A 100 1.399 -16.680 -4.814 1.00 0.00 H new ATOM 869 N ARG A 101 -2.110 -9.980 -0.078 1.00 0.00 N ATOM 870 CA ARG A 101 -3.054 -9.268 0.783 1.00 0.00 C ATOM 871 C ARG A 101 -4.487 -9.541 0.316 1.00 0.00 C ATOM 872 O ARG A 101 -5.001 -8.867 -0.580 1.00 0.00 O ATOM 873 CB ARG A 101 -2.771 -7.760 0.776 1.00 0.00 C ATOM 874 CG ARG A 101 -3.339 -7.019 1.983 1.00 0.00 C ATOM 875 CD ARG A 101 -2.974 -5.543 1.949 1.00 0.00 C ATOM 876 NE ARG A 101 -3.787 -4.727 2.866 1.00 0.00 N ATOM 877 CZ ARG A 101 -3.684 -4.745 4.195 1.00 0.00 C ATOM 878 NH1 ARG A 101 -2.869 -5.581 4.797 1.00 0.00 N ATOM 879 NH2 ARG A 101 -4.409 -3.919 4.919 1.00 0.00 N ATOM 0 H ARG A 101 -2.277 -9.851 -1.076 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.934 -9.629 1.804 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -1.693 -7.603 0.740 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -3.187 -7.326 -0.133 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -4.423 -7.127 2.001 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -2.959 -7.469 2.900 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.921 -5.429 2.207 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -3.096 -5.168 0.933 1.00 0.00 H new ATOM 0 HE ARG A 101 -4.480 -4.102 2.454 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.304 -6.228 4.247 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.801 -5.583 5.815 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -5.048 -3.267 4.463 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.332 -3.931 5.936 1.00 0.00 H new ATOM 893 N GLU A 102 -5.124 -10.543 0.916 1.00 0.00 N ATOM 894 CA GLU A 102 -6.495 -10.910 0.545 1.00 0.00 C ATOM 895 C GLU A 102 -7.529 -10.127 1.355 1.00 0.00 C ATOM 896 O GLU A 102 -7.328 -9.846 2.540 1.00 0.00 O ATOM 897 CB GLU A 102 -6.714 -12.413 0.730 1.00 0.00 C ATOM 898 CG GLU A 102 -7.771 -12.990 -0.203 1.00 0.00 C ATOM 899 CD GLU A 102 -8.538 -14.148 0.403 1.00 0.00 C ATOM 900 OE1 GLU A 102 -9.495 -13.894 1.161 1.00 0.00 O ATOM 901 OE2 GLU A 102 -8.186 -15.308 0.108 1.00 0.00 O ATOM 0 H GLU A 102 -4.719 -11.115 1.657 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.629 -10.654 -0.506 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.771 -12.933 0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.007 -12.606 1.762 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.473 -12.202 -0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.291 -13.323 -1.123 1.00 0.00 H new ATOM 908 N CYS A 103 -8.642 -9.780 0.707 1.00 0.00 N ATOM 909 CA CYS A 103 -9.713 -9.034 1.374 1.00 0.00 C ATOM 910 C CYS A 103 -10.661 -9.983 2.110 1.00 0.00 C ATOM 911 O CYS A 103 -11.224 -10.901 1.510 1.00 0.00 O ATOM 912 CB CYS A 103 -10.486 -8.174 0.366 1.00 0.00 C ATOM 913 SG CYS A 103 -10.318 -6.381 0.655 1.00 0.00 S ATOM 0 H CYS A 103 -8.826 -10.001 -0.272 1.00 0.00 H new ATOM 0 HA CYS A 103 -9.255 -8.372 2.109 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -10.136 -8.406 -0.640 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -11.542 -8.443 0.406 1.00 0.00 H new ATOM 918 N LEU A 104 -10.814 -9.753 3.417 1.00 0.00 N ATOM 919 CA LEU A 104 -11.673 -10.584 4.267 1.00 0.00 C ATOM 920 C LEU A 104 -13.093 -10.720 3.706 1.00 0.00 C ATOM 921 O LEU A 104 -13.558 -9.894 2.921 1.00 0.00 O ATOM 922 CB LEU A 104 -11.730 -10.017 5.691 1.00 0.00 C ATOM 923 CG LEU A 104 -10.389 -9.918 6.421 1.00 0.00 C ATOM 924 CD1 LEU A 104 -10.504 -8.975 7.607 1.00 0.00 C ATOM 925 CD2 LEU A 104 -9.927 -11.291 6.884 1.00 0.00 C ATOM 0 H LEU A 104 -10.350 -8.992 3.913 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.229 -11.579 4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -12.174 -9.022 5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.400 -10.640 6.284 1.00 0.00 H new ATOM 0 HG LEU A 104 -9.648 -9.522 5.727 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -9.543 -8.914 8.118 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -10.793 -7.984 7.257 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.259 -9.350 8.298 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.972 -11.198 7.401 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.667 -11.714 7.563 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -9.810 -11.946 6.021 1.00 0.00 H new ATOM 937 N GLU A 105 -13.772 -11.780 4.135 1.00 0.00 N ATOM 938 CA GLU A 105 -15.143 -12.072 3.704 1.00 0.00 C ATOM 939 C GLU A 105 -16.141 -11.043 4.241 1.00 0.00 C ATOM 940 O GLU A 105 -17.089 -10.673 3.551 1.00 0.00 O ATOM 941 CB GLU A 105 -15.548 -13.478 4.162 1.00 0.00 C ATOM 942 CG GLU A 105 -16.312 -14.268 3.111 1.00 0.00 C ATOM 943 CD GLU A 105 -16.908 -15.546 3.661 1.00 0.00 C ATOM 944 OE1 GLU A 105 -18.054 -15.498 4.153 1.00 0.00 O ATOM 945 OE2 GLU A 105 -16.230 -16.592 3.600 1.00 0.00 O ATOM 0 H GLU A 105 -13.391 -12.462 4.791 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.165 -12.019 2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -14.651 -14.032 4.439 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -16.162 -13.395 5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -17.109 -13.646 2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -15.642 -14.510 2.286 1.00 0.00 H new ATOM 952 N ASN A 106 -15.921 -10.583 5.476 1.00 0.00 N ATOM 953 CA ASN A 106 -16.804 -9.592 6.107 1.00 0.00 C ATOM 954 C ASN A 106 -16.845 -8.276 5.320 1.00 0.00 C ATOM 955 O ASN A 106 -17.758 -7.468 5.500 1.00 0.00 O ATOM 956 CB ASN A 106 -16.346 -9.317 7.544 1.00 0.00 C ATOM 957 CG ASN A 106 -17.506 -9.041 8.479 1.00 0.00 C ATOM 958 OD1 ASN A 106 -18.266 -9.942 8.823 1.00 0.00 O ATOM 959 ND2 ASN A 106 -17.652 -7.792 8.895 1.00 0.00 N ATOM 0 H ASN A 106 -15.140 -10.880 6.060 1.00 0.00 H new ATOM 0 HA ASN A 106 -17.810 -10.011 6.113 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.782 -10.174 7.913 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -15.668 -8.463 7.549 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -18.417 -7.550 9.524 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -16.999 -7.072 8.586 1.00 0.00 H new ATOM 966 N GLY A 107 -15.852 -8.057 4.457 1.00 0.00 N ATOM 967 CA GLY A 107 -15.799 -6.835 3.674 1.00 0.00 C ATOM 968 C GLY A 107 -14.745 -5.869 4.178 1.00 0.00 C ATOM 969 O GLY A 107 -14.980 -4.663 4.226 1.00 0.00 O ATOM 0 H GLY A 107 -15.084 -8.706 4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -15.592 -7.083 2.633 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -16.774 -6.349 3.698 1.00 0.00 H new ATOM 973 N THR A 108 -13.582 -6.395 4.556 1.00 0.00 N ATOM 974 CA THR A 108 -12.492 -5.553 5.060 1.00 0.00 C ATOM 975 C THR A 108 -11.131 -6.160 4.732 1.00 0.00 C ATOM 976 O THR A 108 -11.028 -7.350 4.432 1.00 0.00 O ATOM 977 CB THR A 108 -12.614 -5.346 6.577 1.00 0.00 C ATOM 978 OG1 THR A 108 -12.807 -6.582 7.246 1.00 0.00 O ATOM 979 CG2 THR A 108 -13.754 -4.433 6.969 1.00 0.00 C ATOM 0 H THR A 108 -13.368 -7.392 4.525 1.00 0.00 H new ATOM 0 HA THR A 108 -12.572 -4.586 4.564 1.00 0.00 H new ATOM 0 HB THR A 108 -11.675 -4.880 6.875 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.880 -6.424 8.210 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.782 -4.331 8.054 1.00 0.00 H new ATOM 0 HG22 THR A 108 -13.607 -3.453 6.516 1.00 0.00 H new ATOM 0 HG23 THR A 108 -14.696 -4.857 6.620 1.00 0.00 H new ATOM 987 N TRP A 109 -10.086 -5.339 4.798 1.00 0.00 N ATOM 988 CA TRP A 109 -8.728 -5.805 4.518 1.00 0.00 C ATOM 989 C TRP A 109 -8.229 -6.710 5.653 1.00 0.00 C ATOM 990 O TRP A 109 -8.697 -6.608 6.790 1.00 0.00 O ATOM 991 CB TRP A 109 -7.784 -4.610 4.325 1.00 0.00 C ATOM 992 CG TRP A 109 -7.854 -4.007 2.948 1.00 0.00 C ATOM 993 CD1 TRP A 109 -8.509 -2.863 2.582 1.00 0.00 C ATOM 994 CD2 TRP A 109 -7.245 -4.516 1.755 1.00 0.00 C ATOM 995 NE1 TRP A 109 -8.348 -2.637 1.230 1.00 0.00 N ATOM 996 CE2 TRP A 109 -7.570 -3.633 0.705 1.00 0.00 C ATOM 997 CE3 TRP A 109 -6.452 -5.632 1.473 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -7.130 -3.833 -0.601 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -6.016 -5.831 0.178 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -6.353 -4.933 -0.844 1.00 0.00 C ATOM 0 H TRP A 109 -10.152 -4.351 5.042 1.00 0.00 H new ATOM 0 HA TRP A 109 -8.741 -6.386 3.596 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -8.025 -3.844 5.061 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -6.761 -4.930 4.522 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -9.070 -2.229 3.253 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -8.744 -1.856 0.708 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -6.185 -6.327 2.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -7.392 -3.146 -1.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -5.406 -6.692 -0.051 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -5.991 -5.113 -1.846 1.00 0.00 H new ATOM 1011 N ALA A 110 -7.293 -7.605 5.334 1.00 0.00 N ATOM 1012 CA ALA A 110 -6.747 -8.538 6.328 1.00 0.00 C ATOM 1013 C ALA A 110 -5.947 -7.817 7.424 1.00 0.00 C ATOM 1014 O ALA A 110 -5.484 -6.691 7.233 1.00 0.00 O ATOM 1015 CB ALA A 110 -5.887 -9.594 5.642 1.00 0.00 C ATOM 0 H ALA A 110 -6.897 -7.706 4.400 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.590 -9.025 6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.488 -10.280 6.389 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.494 -10.149 4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.063 -9.109 5.118 1.00 0.00 H new ATOM 1021 N SER A 111 -5.796 -8.479 8.578 1.00 0.00 N ATOM 1022 CA SER A 111 -5.062 -7.905 9.715 1.00 0.00 C ATOM 1023 C SER A 111 -3.581 -7.663 9.392 1.00 0.00 C ATOM 1024 O SER A 111 -3.000 -6.682 9.854 1.00 0.00 O ATOM 1025 CB SER A 111 -5.183 -8.811 10.947 1.00 0.00 C ATOM 1026 OG SER A 111 -6.311 -8.460 11.731 1.00 0.00 O ATOM 0 H SER A 111 -6.172 -9.412 8.750 1.00 0.00 H new ATOM 0 HA SER A 111 -5.516 -6.937 9.927 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.266 -9.851 10.631 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.279 -8.732 11.550 1.00 0.00 H new ATOM 0 HG SER A 111 -6.366 -9.054 12.509 1.00 0.00 H new ATOM 1032 N ARG A 112 -2.974 -8.558 8.610 1.00 0.00 N ATOM 1033 CA ARG A 112 -1.560 -8.429 8.242 1.00 0.00 C ATOM 1034 C ARG A 112 -1.333 -8.818 6.781 1.00 0.00 C ATOM 1035 O ARG A 112 -2.213 -9.391 6.139 1.00 0.00 O ATOM 1036 CB ARG A 112 -0.688 -9.306 9.146 1.00 0.00 C ATOM 1037 CG ARG A 112 -0.248 -8.616 10.427 1.00 0.00 C ATOM 1038 CD ARG A 112 -1.324 -8.704 11.492 1.00 0.00 C ATOM 1039 NE ARG A 112 -0.762 -8.742 12.845 1.00 0.00 N ATOM 1040 CZ ARG A 112 -1.029 -7.856 13.797 1.00 0.00 C ATOM 1041 NH1 ARG A 112 -1.797 -6.808 13.554 1.00 0.00 N ATOM 1042 NH2 ARG A 112 -0.509 -8.017 14.997 1.00 0.00 N ATOM 0 H ARG A 112 -3.437 -9.379 8.219 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.279 -7.384 8.373 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -1.240 -10.210 9.402 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.196 -9.619 8.590 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.670 -9.075 10.794 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.021 -7.570 10.221 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.993 -7.848 11.402 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.926 -9.597 11.325 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.121 -9.502 13.071 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.194 -6.671 12.624 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.993 -6.136 14.296 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.093 -8.818 15.189 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.709 -7.341 15.734 1.00 0.00 H new ATOM 1056 N VAL A 113 -0.147 -8.511 6.264 1.00 0.00 N ATOM 1057 CA VAL A 113 0.193 -8.844 4.883 1.00 0.00 C ATOM 1058 C VAL A 113 1.220 -9.965 4.837 1.00 0.00 C ATOM 1059 O VAL A 113 2.146 -10.002 5.649 1.00 0.00 O ATOM 1060 CB VAL A 113 0.769 -7.643 4.102 1.00 0.00 C ATOM 1061 CG1 VAL A 113 0.450 -7.778 2.620 1.00 0.00 C ATOM 1062 CG2 VAL A 113 0.256 -6.317 4.642 1.00 0.00 C ATOM 0 H VAL A 113 0.593 -8.034 6.778 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.741 -9.152 4.414 1.00 0.00 H new ATOM 0 HB VAL A 113 1.851 -7.649 4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.861 -6.925 2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.891 -8.698 2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.631 -7.808 2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.686 -5.498 4.065 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.831 -6.287 4.561 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.545 -6.214 5.688 1.00 0.00 H new ATOM 1072 N ASN A 114 1.077 -10.864 3.871 1.00 0.00 N ATOM 1073 CA ASN A 114 2.021 -11.965 3.720 1.00 0.00 C ATOM 1074 C ASN A 114 3.335 -11.452 3.125 1.00 0.00 C ATOM 1075 O ASN A 114 3.709 -11.807 2.008 1.00 0.00 O ATOM 1076 CB ASN A 114 1.416 -13.069 2.843 1.00 0.00 C ATOM 1077 CG ASN A 114 0.821 -14.194 3.664 1.00 0.00 C ATOM 1078 OD1 ASN A 114 1.436 -14.679 4.608 1.00 0.00 O ATOM 1079 ND2 ASN A 114 -0.383 -14.615 3.311 1.00 0.00 N ATOM 0 H ASN A 114 0.322 -10.853 3.185 1.00 0.00 H new ATOM 0 HA ASN A 114 2.231 -12.390 4.702 1.00 0.00 H new ATOM 0 HB2 ASN A 114 0.644 -12.640 2.205 1.00 0.00 H new ATOM 0 HB3 ASN A 114 2.187 -13.471 2.185 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -0.832 -15.369 3.831 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -0.862 -14.185 2.519 1.00 0.00 H new ATOM 1086 N TYR A 115 4.025 -10.597 3.879 1.00 0.00 N ATOM 1087 CA TYR A 115 5.291 -10.014 3.428 1.00 0.00 C ATOM 1088 C TYR A 115 6.491 -10.933 3.718 1.00 0.00 C ATOM 1089 O TYR A 115 7.643 -10.518 3.575 1.00 0.00 O ATOM 1090 CB TYR A 115 5.480 -8.623 4.063 1.00 0.00 C ATOM 1091 CG TYR A 115 4.734 -7.514 3.336 1.00 0.00 C ATOM 1092 CD1 TYR A 115 3.895 -7.806 2.274 1.00 0.00 C ATOM 1093 CD2 TYR A 115 4.867 -6.179 3.701 1.00 0.00 C ATOM 1094 CE1 TYR A 115 3.221 -6.809 1.604 1.00 0.00 C ATOM 1095 CE2 TYR A 115 4.186 -5.178 3.030 1.00 0.00 C ATOM 1096 CZ TYR A 115 3.370 -5.506 1.982 1.00 0.00 C ATOM 1097 OH TYR A 115 2.693 -4.529 1.304 1.00 0.00 O ATOM 0 H TYR A 115 3.729 -10.292 4.806 1.00 0.00 H new ATOM 0 HA TYR A 115 5.245 -9.904 2.345 1.00 0.00 H new ATOM 0 HB2 TYR A 115 5.143 -8.657 5.099 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.543 -8.383 4.081 1.00 0.00 H new ATOM 0 HD1 TYR A 115 3.767 -8.833 1.966 1.00 0.00 H new ATOM 0 HD2 TYR A 115 5.515 -5.918 4.525 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.573 -7.059 0.777 1.00 0.00 H new ATOM 0 HE2 TYR A 115 4.298 -4.147 3.331 1.00 0.00 H new ATOM 0 HH TYR A 115 2.903 -3.655 1.694 1.00 0.00 H new ATOM 1107 N SER A 116 6.217 -12.191 4.096 1.00 0.00 N ATOM 1108 CA SER A 116 7.276 -13.166 4.378 1.00 0.00 C ATOM 1109 C SER A 116 7.933 -13.676 3.087 1.00 0.00 C ATOM 1110 O SER A 116 9.115 -14.008 3.075 1.00 0.00 O ATOM 1111 CB SER A 116 6.716 -14.346 5.180 1.00 0.00 C ATOM 1112 OG SER A 116 7.216 -14.353 6.509 1.00 0.00 O ATOM 0 H SER A 116 5.271 -12.555 4.213 1.00 0.00 H new ATOM 0 HA SER A 116 8.040 -12.660 4.968 1.00 0.00 H new ATOM 0 HB2 SER A 116 5.628 -14.291 5.199 1.00 0.00 H new ATOM 0 HB3 SER A 116 6.979 -15.281 4.686 1.00 0.00 H new ATOM 0 HG SER A 116 6.840 -15.116 6.996 1.00 0.00 H new ATOM 1118 N HIS A 117 7.163 -13.724 1.997 1.00 0.00 N ATOM 1119 CA HIS A 117 7.682 -14.182 0.701 1.00 0.00 C ATOM 1120 C HIS A 117 8.796 -13.250 0.182 1.00 0.00 C ATOM 1121 O HIS A 117 9.574 -13.627 -0.700 1.00 0.00 O ATOM 1122 CB HIS A 117 6.540 -14.254 -0.323 1.00 0.00 C ATOM 1123 CG HIS A 117 6.314 -15.621 -0.890 1.00 0.00 C ATOM 1124 ND1 HIS A 117 6.171 -16.032 -2.172 1.00 0.00 N flip ATOM 1125 CD2 HIS A 117 6.193 -16.752 -0.113 1.00 0.00 C flip ATOM 1126 CE1 HIS A 117 5.967 -17.390 -2.147 1.00 0.00 C flip ATOM 1127 NE2 HIS A 117 5.987 -17.801 -0.891 1.00 0.00 N flip ATOM 0 H HIS A 117 6.180 -13.452 1.984 1.00 0.00 H new ATOM 0 HA HIS A 117 8.110 -15.175 0.840 1.00 0.00 H new ATOM 0 HB2 HIS A 117 5.620 -13.912 0.150 1.00 0.00 H new ATOM 0 HB3 HIS A 117 6.754 -13.564 -1.139 1.00 0.00 H new ATOM 0 HD2 HIS A 117 6.257 -16.778 0.965 1.00 0.00 H new ATOM 0 HE1 HIS A 117 5.815 -18.019 -3.012 1.00 0.00 H new ATOM 0 HE2 HIS A 117 5.864 -18.763 -0.576 1.00 0.00 H new ATOM 1136 N CYS A 118 8.852 -12.032 0.727 1.00 0.00 N ATOM 1137 CA CYS A 118 9.846 -11.037 0.322 1.00 0.00 C ATOM 1138 C CYS A 118 11.223 -11.300 0.950 1.00 0.00 C ATOM 1139 O CYS A 118 11.422 -11.099 2.145 1.00 0.00 O ATOM 1140 CB CYS A 118 9.344 -9.638 0.694 1.00 0.00 C ATOM 1141 SG CYS A 118 7.785 -9.178 -0.134 1.00 0.00 S ATOM 0 H CYS A 118 8.215 -11.710 1.456 1.00 0.00 H new ATOM 0 HA CYS A 118 9.974 -11.109 -0.758 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.201 -9.587 1.773 1.00 0.00 H new ATOM 0 HB3 CYS A 118 10.111 -8.906 0.439 1.00 0.00 H new ATOM 1146 N GLU A 119 12.169 -11.749 0.118 1.00 0.00 N ATOM 1147 CA GLU A 119 13.541 -12.054 0.562 1.00 0.00 C ATOM 1148 C GLU A 119 14.578 -11.580 -0.494 1.00 0.00 C ATOM 1149 O GLU A 119 14.169 -11.089 -1.550 1.00 0.00 O ATOM 1150 CB GLU A 119 13.649 -13.561 0.834 1.00 0.00 C ATOM 1151 CG GLU A 119 13.111 -14.455 -0.263 1.00 0.00 C ATOM 1152 CD GLU A 119 13.892 -15.752 -0.349 1.00 0.00 C ATOM 1153 OE1 GLU A 119 14.990 -15.737 -0.938 1.00 0.00 O ATOM 1154 OE2 GLU A 119 13.407 -16.775 0.184 1.00 0.00 O ATOM 0 H GLU A 119 12.011 -11.912 -0.876 1.00 0.00 H new ATOM 0 HA GLU A 119 13.763 -11.515 1.483 1.00 0.00 H new ATOM 0 HB2 GLU A 119 14.697 -13.809 1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 119 13.116 -13.786 1.758 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.060 -14.673 -0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.162 -13.933 -1.218 1.00 0.00 H new ATOM 1161 N PRO A 120 15.929 -11.662 -0.229 1.00 0.00 N ATOM 1162 CA PRO A 120 16.956 -11.201 -1.201 1.00 0.00 C ATOM 1163 C PRO A 120 16.924 -11.989 -2.525 1.00 0.00 C ATOM 1164 O PRO A 120 15.893 -12.541 -2.906 1.00 0.00 O ATOM 1165 CB PRO A 120 18.290 -11.426 -0.456 1.00 0.00 C ATOM 1166 CG PRO A 120 17.982 -12.434 0.587 1.00 0.00 C ATOM 1167 CD PRO A 120 16.572 -12.166 1.012 1.00 0.00 C ATOM 0 HA PRO A 120 16.793 -10.165 -1.498 1.00 0.00 H new ATOM 0 HB2 PRO A 120 19.065 -11.784 -1.134 1.00 0.00 H new ATOM 0 HB3 PRO A 120 18.656 -10.500 -0.014 1.00 0.00 H new ATOM 0 HG2 PRO A 120 18.086 -13.446 0.195 1.00 0.00 H new ATOM 0 HG3 PRO A 120 18.668 -12.346 1.430 1.00 0.00 H new ATOM 0 HD2 PRO A 120 16.084 -13.069 1.379 1.00 0.00 H new ATOM 0 HD3 PRO A 120 16.527 -11.430 1.815 1.00 0.00 H new ATOM 1175 N ILE A 121 18.060 -12.040 -3.230 1.00 0.00 N ATOM 1176 CA ILE A 121 18.139 -12.761 -4.498 1.00 0.00 C ATOM 1177 C ILE A 121 19.465 -13.515 -4.647 1.00 0.00 C ATOM 1178 O ILE A 121 20.477 -12.967 -5.082 1.00 0.00 O ATOM 1179 CB ILE A 121 17.914 -11.835 -5.708 1.00 0.00 C ATOM 1180 CG1 ILE A 121 18.946 -10.707 -5.753 1.00 0.00 C ATOM 1181 CG2 ILE A 121 16.506 -11.269 -5.671 1.00 0.00 C ATOM 1182 CD1 ILE A 121 18.683 -9.570 -4.788 1.00 0.00 C ATOM 0 H ILE A 121 18.930 -11.592 -2.943 1.00 0.00 H new ATOM 0 HA ILE A 121 17.332 -13.493 -4.480 1.00 0.00 H new ATOM 0 HB ILE A 121 18.038 -12.427 -6.615 1.00 0.00 H new ATOM 0 HG12 ILE A 121 19.930 -11.125 -5.541 1.00 0.00 H new ATOM 0 HG13 ILE A 121 18.981 -10.305 -6.766 1.00 0.00 H new ATOM 0 HG21 ILE A 121 16.354 -10.615 -6.530 1.00 0.00 H new ATOM 0 HG22 ILE A 121 15.785 -12.085 -5.705 1.00 0.00 H new ATOM 0 HG23 ILE A 121 16.367 -10.699 -4.752 1.00 0.00 H new ATOM 0 HD11 ILE A 121 19.465 -8.818 -4.890 1.00 0.00 H new ATOM 0 HD12 ILE A 121 17.715 -9.120 -5.011 1.00 0.00 H new ATOM 0 HD13 ILE A 121 18.679 -9.953 -3.767 1.00 0.00 H new ATOM 1194 N LEU A 122 19.434 -14.780 -4.265 1.00 0.00 N ATOM 1195 CA LEU A 122 20.604 -15.656 -4.325 1.00 0.00 C ATOM 1196 C LEU A 122 20.250 -17.053 -3.812 1.00 0.00 C ATOM 1197 O LEU A 122 20.022 -17.249 -2.618 1.00 0.00 O ATOM 1198 CB LEU A 122 21.751 -15.058 -3.502 1.00 0.00 C ATOM 1199 CG LEU A 122 23.112 -15.052 -4.195 1.00 0.00 C ATOM 1200 CD1 LEU A 122 23.740 -13.673 -4.117 1.00 0.00 C ATOM 1201 CD2 LEU A 122 24.027 -16.090 -3.569 1.00 0.00 C ATOM 0 H LEU A 122 18.596 -15.235 -3.902 1.00 0.00 H new ATOM 0 HA LEU A 122 20.926 -15.742 -5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 122 21.491 -14.033 -3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 122 21.838 -15.616 -2.570 1.00 0.00 H new ATOM 0 HG LEU A 122 22.969 -15.306 -5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 122 24.709 -13.686 -4.615 1.00 0.00 H new ATOM 0 HD12 LEU A 122 23.089 -12.949 -4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 122 23.873 -13.392 -3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 122 24.993 -16.074 -4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 122 24.165 -15.863 -2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 122 23.580 -17.079 -3.672 1.00 0.00 H new TER 1213 LEU A 122 ATOM 1214 N LEU B 227 21.268 -5.212 1.206 1.00 0.00 N ATOM 1215 CA LEU B 227 21.137 -6.610 0.836 1.00 0.00 C ATOM 1216 C LEU B 227 21.337 -7.482 2.079 1.00 0.00 C ATOM 1217 O LEU B 227 20.712 -8.535 2.227 1.00 0.00 O ATOM 1218 CB LEU B 227 22.111 -6.964 -0.284 1.00 0.00 C ATOM 1219 CG LEU B 227 23.583 -6.692 0.001 1.00 0.00 C ATOM 1220 CD1 LEU B 227 24.347 -8.002 0.106 1.00 0.00 C ATOM 1221 CD2 LEU B 227 24.180 -5.813 -1.086 1.00 0.00 C ATOM 0 HA LEU B 227 20.136 -6.798 0.449 1.00 0.00 H new ATOM 0 HB2 LEU B 227 21.996 -8.022 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU B 227 21.825 -6.408 -1.177 1.00 0.00 H new ATOM 0 HG LEU B 227 23.664 -6.165 0.952 1.00 0.00 H new ATOM 0 HD11 LEU B 227 25.398 -7.795 0.310 1.00 0.00 H new ATOM 0 HD12 LEU B 227 23.931 -8.602 0.916 1.00 0.00 H new ATOM 0 HD13 LEU B 227 24.260 -8.550 -0.832 1.00 0.00 H new ATOM 0 HD21 LEU B 227 25.232 -5.628 -0.868 1.00 0.00 H new ATOM 0 HD22 LEU B 227 24.092 -6.315 -2.049 1.00 0.00 H new ATOM 0 HD23 LEU B 227 23.645 -4.864 -1.122 1.00 0.00 H new ATOM 1233 N ALA B 228 22.176 -6.990 2.994 1.00 0.00 N ATOM 1234 CA ALA B 228 22.438 -7.656 4.266 1.00 0.00 C ATOM 1235 C ALA B 228 22.058 -6.719 5.412 1.00 0.00 C ATOM 1236 O ALA B 228 21.252 -7.070 6.272 1.00 0.00 O ATOM 1237 CB ALA B 228 23.899 -8.084 4.375 1.00 0.00 C ATOM 0 H ALA B 228 22.691 -6.118 2.871 1.00 0.00 H new ATOM 0 HA ALA B 228 21.832 -8.560 4.324 1.00 0.00 H new ATOM 0 HB1 ALA B 228 24.063 -8.577 5.333 1.00 0.00 H new ATOM 0 HB2 ALA B 228 24.137 -8.775 3.566 1.00 0.00 H new ATOM 0 HB3 ALA B 228 24.542 -7.206 4.304 1.00 0.00 H new ATOM 1243 N GLN B 229 22.637 -5.516 5.396 1.00 0.00 N ATOM 1244 CA GLN B 229 22.364 -4.501 6.412 1.00 0.00 C ATOM 1245 C GLN B 229 21.304 -3.498 5.934 1.00 0.00 C ATOM 1246 O GLN B 229 20.365 -3.193 6.665 1.00 0.00 O ATOM 1247 CB GLN B 229 23.655 -3.771 6.795 1.00 0.00 C ATOM 1248 CG GLN B 229 24.408 -4.424 7.950 1.00 0.00 C ATOM 1249 CD GLN B 229 24.922 -3.412 8.954 1.00 0.00 C ATOM 1250 OE1 GLN B 229 25.691 -2.520 8.611 1.00 0.00 O ATOM 1251 NE2 GLN B 229 24.500 -3.542 10.201 1.00 0.00 N ATOM 0 H GLN B 229 23.304 -5.221 4.683 1.00 0.00 H new ATOM 0 HA GLN B 229 21.969 -5.008 7.292 1.00 0.00 H new ATOM 0 HB2 GLN B 229 24.309 -3.727 5.924 1.00 0.00 H new ATOM 0 HB3 GLN B 229 23.414 -2.743 7.065 1.00 0.00 H new ATOM 0 HG2 GLN B 229 23.749 -5.130 8.456 1.00 0.00 H new ATOM 0 HG3 GLN B 229 25.247 -4.997 7.555 1.00 0.00 H new ATOM 0 HE21 GLN B 229 23.860 -4.297 10.447 1.00 0.00 H new ATOM 0 HE22 GLN B 229 24.814 -2.887 10.917 1.00 0.00 H new ATOM 1260 N GLU B 230 21.450 -2.991 4.703 1.00 0.00 N ATOM 1261 CA GLU B 230 20.485 -2.036 4.142 1.00 0.00 C ATOM 1262 C GLU B 230 19.113 -2.686 3.969 1.00 0.00 C ATOM 1263 O GLU B 230 18.119 -2.241 4.552 1.00 0.00 O ATOM 1264 CB GLU B 230 20.978 -1.497 2.795 1.00 0.00 C ATOM 1265 CG GLU B 230 20.479 -0.093 2.495 1.00 0.00 C ATOM 1266 CD GLU B 230 21.082 0.954 3.418 1.00 0.00 C ATOM 1267 OE1 GLU B 230 22.293 1.190 3.380 1.00 0.00 O ATOM 0 H GLU B 230 22.223 -3.224 4.079 1.00 0.00 H new ATOM 0 HA GLU B 230 20.392 -1.206 4.842 1.00 0.00 H new ATOM 0 HB2 GLU B 230 22.068 -1.498 2.787 1.00 0.00 H new ATOM 0 HB3 GLU B 230 20.653 -2.169 2.001 1.00 0.00 H new ATOM 0 HG2 GLU B 230 20.717 0.160 1.462 1.00 0.00 H new ATOM 0 HG3 GLU B 230 19.393 -0.070 2.587 1.00 0.00 H new ATOM 1274 N ALA B 231 19.069 -3.751 3.168 1.00 0.00 N ATOM 1275 CA ALA B 231 17.829 -4.477 2.924 1.00 0.00 C ATOM 1276 C ALA B 231 17.159 -4.886 4.235 1.00 0.00 C ATOM 1277 O ALA B 231 15.954 -4.738 4.386 1.00 0.00 O ATOM 1278 CB ALA B 231 18.078 -5.700 2.051 1.00 0.00 C ATOM 0 H ALA B 231 19.880 -4.128 2.678 1.00 0.00 H new ATOM 0 HA ALA B 231 17.154 -3.806 2.394 1.00 0.00 H new ATOM 0 HB1 ALA B 231 17.138 -6.225 1.883 1.00 0.00 H new ATOM 0 HB2 ALA B 231 18.494 -5.385 1.094 1.00 0.00 H new ATOM 0 HB3 ALA B 231 18.781 -6.366 2.550 1.00 0.00 H new ATOM 1284 N HIS B 232 17.939 -5.399 5.182 1.00 0.00 N ATOM 1285 CA HIS B 232 17.389 -5.819 6.477 1.00 0.00 C ATOM 1286 C HIS B 232 16.474 -4.745 7.059 1.00 0.00 C ATOM 1287 O HIS B 232 15.282 -4.988 7.248 1.00 0.00 O ATOM 1288 CB HIS B 232 18.506 -6.159 7.477 1.00 0.00 C ATOM 1289 CG HIS B 232 18.164 -7.276 8.420 1.00 0.00 C ATOM 1290 ND1 HIS B 232 16.942 -7.915 8.433 1.00 0.00 N ATOM 1291 CD2 HIS B 232 18.905 -7.868 9.386 1.00 0.00 C ATOM 1292 CE1 HIS B 232 16.945 -8.852 9.368 1.00 0.00 C ATOM 1293 NE2 HIS B 232 18.126 -8.844 9.960 1.00 0.00 N ATOM 0 H HIS B 232 18.945 -5.535 5.084 1.00 0.00 H new ATOM 0 HA HIS B 232 16.801 -6.720 6.301 1.00 0.00 H new ATOM 0 HB2 HIS B 232 19.406 -6.428 6.923 1.00 0.00 H new ATOM 0 HB3 HIS B 232 18.743 -5.267 8.057 1.00 0.00 H new ATOM 0 HD2 HIS B 232 19.921 -7.619 9.656 1.00 0.00 H new ATOM 0 HE1 HIS B 232 16.123 -9.510 9.606 1.00 0.00 H new ATOM 0 HE2 HIS B 232 18.413 -9.462 10.719 1.00 0.00 H new ATOM 1302 N LYS B 233 17.018 -3.558 7.319 1.00 0.00 N ATOM 1303 CA LYS B 233 16.207 -2.470 7.859 1.00 0.00 C ATOM 1304 C LYS B 233 15.029 -2.166 6.931 1.00 0.00 C ATOM 1305 O LYS B 233 13.924 -1.870 7.392 1.00 0.00 O ATOM 1306 CB LYS B 233 17.056 -1.204 8.100 1.00 0.00 C ATOM 1307 CG LYS B 233 17.886 -0.754 6.901 1.00 0.00 C ATOM 1308 CD LYS B 233 18.814 0.407 7.256 1.00 0.00 C ATOM 1309 CE LYS B 233 19.006 1.366 6.087 1.00 0.00 C ATOM 1310 NZ LYS B 233 20.343 1.261 5.517 1.00 0.00 N ATOM 0 H LYS B 233 18.000 -3.327 7.168 1.00 0.00 H new ATOM 0 HA LYS B 233 15.813 -2.792 8.823 1.00 0.00 H new ATOM 0 HB2 LYS B 233 16.394 -0.389 8.392 1.00 0.00 H new ATOM 0 HB3 LYS B 233 17.726 -1.387 8.940 1.00 0.00 H new ATOM 0 HG2 LYS B 233 18.477 -1.592 6.533 1.00 0.00 H new ATOM 0 HG3 LYS B 233 17.221 -0.453 6.091 1.00 0.00 H new ATOM 0 HD2 LYS B 233 18.404 0.951 8.107 1.00 0.00 H new ATOM 0 HD3 LYS B 233 19.783 0.015 7.565 1.00 0.00 H new ATOM 0 HE2 LYS B 233 18.264 1.154 5.317 1.00 0.00 H new ATOM 0 HE3 LYS B 233 18.833 2.388 6.423 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 20.565 2.130 4.990 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 21.037 1.133 6.281 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 20.383 0.446 4.873 1.00 0.00 H new ATOM 1322 N ASN B 234 15.265 -2.264 5.625 1.00 0.00 N ATOM 1323 CA ASN B 234 14.218 -2.012 4.641 1.00 0.00 C ATOM 1324 C ASN B 234 13.148 -3.105 4.682 1.00 0.00 C ATOM 1325 O ASN B 234 11.960 -2.813 4.812 1.00 0.00 O ATOM 1326 CB ASN B 234 14.815 -1.901 3.234 1.00 0.00 C ATOM 1327 CG ASN B 234 15.370 -0.518 2.949 1.00 0.00 C ATOM 1328 OD1 ASN B 234 14.917 0.162 2.038 1.00 0.00 O ATOM 1329 ND2 ASN B 234 16.360 -0.101 3.723 1.00 0.00 N ATOM 0 H ASN B 234 16.169 -2.515 5.225 1.00 0.00 H new ATOM 0 HA ASN B 234 13.743 -1.064 4.893 1.00 0.00 H new ATOM 0 HB2 ASN B 234 15.609 -2.639 3.120 1.00 0.00 H new ATOM 0 HB3 ASN B 234 14.049 -2.141 2.497 1.00 0.00 H new ATOM 0 HD21 ASN B 234 16.774 0.819 3.570 1.00 0.00 H new ATOM 0 HD22 ASN B 234 16.709 -0.699 4.472 1.00 0.00 H new ATOM 1336 N ARG B 235 13.571 -4.366 4.595 1.00 0.00 N ATOM 1337 CA ARG B 235 12.634 -5.478 4.642 1.00 0.00 C ATOM 1338 C ARG B 235 11.945 -5.533 6.006 1.00 0.00 C ATOM 1339 O ARG B 235 10.781 -5.915 6.105 1.00 0.00 O ATOM 1340 CB ARG B 235 13.329 -6.801 4.319 1.00 0.00 C ATOM 1341 CG ARG B 235 12.560 -7.646 3.310 1.00 0.00 C ATOM 1342 CD ARG B 235 12.700 -7.141 1.874 1.00 0.00 C ATOM 1343 NE ARG B 235 14.080 -7.187 1.366 1.00 0.00 N ATOM 1344 CZ ARG B 235 14.818 -8.282 1.265 1.00 0.00 C ATOM 1345 NH1 ARG B 235 14.334 -9.455 1.588 1.00 0.00 N ATOM 1346 NH2 ARG B 235 16.049 -8.204 0.822 1.00 0.00 N ATOM 0 H ARG B 235 14.549 -4.637 4.493 1.00 0.00 H new ATOM 0 HA ARG B 235 11.872 -5.317 3.879 1.00 0.00 H new ATOM 0 HB2 ARG B 235 14.326 -6.596 3.928 1.00 0.00 H new ATOM 0 HB3 ARG B 235 13.458 -7.371 5.239 1.00 0.00 H new ATOM 0 HG2 ARG B 235 12.914 -8.676 3.363 1.00 0.00 H new ATOM 0 HG3 ARG B 235 11.505 -7.657 3.584 1.00 0.00 H new ATOM 0 HD2 ARG B 235 12.062 -7.739 1.223 1.00 0.00 H new ATOM 0 HD3 ARG B 235 12.336 -6.115 1.821 1.00 0.00 H new ATOM 0 HE ARG B 235 14.501 -6.307 1.068 1.00 0.00 H new ATOM 0 HH11 ARG B 235 13.374 -9.536 1.924 1.00 0.00 H new ATOM 0 HH12 ARG B 235 14.917 -10.288 1.504 1.00 0.00 H new ATOM 0 HH21 ARG B 235 16.439 -7.300 0.555 1.00 0.00 H new ATOM 0 HH22 ARG B 235 16.617 -9.047 0.744 1.00 0.00 H new ATOM 1360 N LYS B 236 12.659 -5.109 7.055 1.00 0.00 N ATOM 1361 CA LYS B 236 12.091 -5.070 8.400 1.00 0.00 C ATOM 1362 C LYS B 236 10.902 -4.109 8.427 1.00 0.00 C ATOM 1363 O LYS B 236 9.857 -4.425 8.993 1.00 0.00 O ATOM 1364 CB LYS B 236 13.150 -4.651 9.421 1.00 0.00 C ATOM 1365 CG LYS B 236 13.889 -5.829 10.029 1.00 0.00 C ATOM 1366 CD LYS B 236 12.993 -6.609 10.979 1.00 0.00 C ATOM 1367 CE LYS B 236 13.666 -7.873 11.480 1.00 0.00 C ATOM 1368 NZ LYS B 236 12.996 -9.098 10.952 1.00 0.00 N ATOM 0 H LYS B 236 13.626 -4.790 6.995 1.00 0.00 H new ATOM 0 HA LYS B 236 11.745 -6.068 8.669 1.00 0.00 H new ATOM 0 HB2 LYS B 236 13.869 -3.988 8.939 1.00 0.00 H new ATOM 0 HB3 LYS B 236 12.673 -4.079 10.217 1.00 0.00 H new ATOM 0 HG2 LYS B 236 14.244 -6.488 9.236 1.00 0.00 H new ATOM 0 HG3 LYS B 236 14.769 -5.473 10.565 1.00 0.00 H new ATOM 0 HD2 LYS B 236 12.727 -5.978 11.827 1.00 0.00 H new ATOM 0 HD3 LYS B 236 12.064 -6.869 10.471 1.00 0.00 H new ATOM 0 HE2 LYS B 236 14.714 -7.872 11.179 1.00 0.00 H new ATOM 0 HE3 LYS B 236 13.648 -7.888 12.570 1.00 0.00 H new ATOM 0 HZ1 LYS B 236 13.482 -9.943 11.315 1.00 0.00 H new ATOM 0 HZ2 LYS B 236 12.003 -9.111 11.260 1.00 0.00 H new ATOM 0 HZ3 LYS B 236 13.036 -9.095 9.913 1.00 0.00 H new ATOM 1382 N LEU B 237 11.055 -2.956 7.767 1.00 0.00 N ATOM 1383 CA LEU B 237 9.973 -1.972 7.670 1.00 0.00 C ATOM 1384 C LEU B 237 8.712 -2.656 7.131 1.00 0.00 C ATOM 1385 O LEU B 237 7.594 -2.333 7.537 1.00 0.00 O ATOM 1386 CB LEU B 237 10.407 -0.803 6.763 1.00 0.00 C ATOM 1387 CG LEU B 237 9.318 0.200 6.360 1.00 0.00 C ATOM 1388 CD1 LEU B 237 8.514 0.652 7.565 1.00 0.00 C ATOM 1389 CD2 LEU B 237 9.942 1.401 5.670 1.00 0.00 C ATOM 0 H LEU B 237 11.916 -2.682 7.293 1.00 0.00 H new ATOM 0 HA LEU B 237 9.751 -1.566 8.657 1.00 0.00 H new ATOM 0 HB2 LEU B 237 11.202 -0.256 7.270 1.00 0.00 H new ATOM 0 HB3 LEU B 237 10.838 -1.221 5.853 1.00 0.00 H new ATOM 0 HG LEU B 237 8.640 -0.299 5.668 1.00 0.00 H new ATOM 0 HD11 LEU B 237 7.750 1.362 7.247 1.00 0.00 H new ATOM 0 HD12 LEU B 237 8.036 -0.211 8.028 1.00 0.00 H new ATOM 0 HD13 LEU B 237 9.177 1.130 8.286 1.00 0.00 H new ATOM 0 HD21 LEU B 237 9.160 2.106 5.389 1.00 0.00 H new ATOM 0 HD22 LEU B 237 10.642 1.888 6.349 1.00 0.00 H new ATOM 0 HD23 LEU B 237 10.473 1.072 4.776 1.00 0.00 H new HETATM 1401 N NLE B 238 8.912 -3.637 6.243 1.00 0.00 N HETATM 1402 CA NLE B 238 7.806 -4.405 5.673 1.00 0.00 C HETATM 1403 C NLE B 238 7.005 -5.113 6.767 1.00 0.00 C HETATM 1404 O NLE B 238 5.796 -5.306 6.631 1.00 0.00 O HETATM 1405 CB NLE B 238 8.329 -5.441 4.672 1.00 0.00 C HETATM 1406 CG NLE B 238 9.258 -4.859 3.615 1.00 0.00 C HETATM 1407 CD NLE B 238 8.835 -5.262 2.214 1.00 0.00 C HETATM 1408 CE NLE B 238 7.636 -4.491 1.725 1.00 0.00 C HETATM 0 HG3 NLE B 238 9.265 -3.772 3.695 1.00 0.00 H new HETATM 0 HG2 NLE B 238 10.277 -5.198 3.799 1.00 0.00 H new HETATM 0 HE3 NLE B 238 6.793 -4.668 2.392 1.00 0.00 H new HETATM 0 HE2 NLE B 238 7.869 -3.426 1.710 1.00 0.00 H new HETATM 0 HE1 NLE B 238 7.378 -4.820 0.718 1.00 0.00 H new HETATM 0 HD3 NLE B 238 9.667 -5.105 1.528 1.00 0.00 H new HETATM 0 HD2 NLE B 238 8.607 -6.328 2.200 1.00 0.00 H new HETATM 0 HB3 NLE B 238 8.858 -6.224 5.216 1.00 0.00 H new HETATM 0 HB2 NLE B 238 7.481 -5.914 4.177 1.00 0.00 H new HETATM 0 HA NLE B 238 7.150 -3.704 5.157 1.00 0.00 H new ATOM 1420 N GLU B 239 7.677 -5.484 7.857 1.00 0.00 N ATOM 1421 CA GLU B 239 7.013 -6.150 8.978 1.00 0.00 C ATOM 1422 C GLU B 239 6.073 -5.179 9.704 1.00 0.00 C ATOM 1423 O GLU B 239 5.097 -5.594 10.329 1.00 0.00 O ATOM 1424 CB GLU B 239 8.055 -6.709 9.952 1.00 0.00 C ATOM 1425 CG GLU B 239 7.469 -7.178 11.276 1.00 0.00 C ATOM 1426 CD GLU B 239 6.992 -8.613 11.229 1.00 0.00 C ATOM 1427 OE1 GLU B 239 5.822 -8.840 10.857 1.00 0.00 O ATOM 1428 OE2 GLU B 239 7.787 -9.513 11.569 1.00 0.00 O ATOM 0 H GLU B 239 8.678 -5.335 7.988 1.00 0.00 H new ATOM 0 HA GLU B 239 6.418 -6.975 8.587 1.00 0.00 H new ATOM 0 HB2 GLU B 239 8.571 -7.544 9.478 1.00 0.00 H new ATOM 0 HB3 GLU B 239 8.804 -5.942 10.148 1.00 0.00 H new ATOM 0 HG2 GLU B 239 8.221 -7.075 12.058 1.00 0.00 H new ATOM 0 HG3 GLU B 239 6.635 -6.531 11.549 1.00 0.00 H new ATOM 1435 N ILE B 240 6.374 -3.881 9.603 1.00 0.00 N ATOM 1436 CA ILE B 240 5.560 -2.841 10.240 1.00 0.00 C ATOM 1437 C ILE B 240 4.125 -2.842 9.701 1.00 0.00 C ATOM 1438 O ILE B 240 3.207 -2.347 10.358 1.00 0.00 O ATOM 1439 CB ILE B 240 6.186 -1.438 10.039 1.00 0.00 C ATOM 1440 CG1 ILE B 240 7.521 -1.342 10.770 1.00 0.00 C ATOM 1441 CG2 ILE B 240 5.243 -0.342 10.524 1.00 0.00 C ATOM 1442 CD1 ILE B 240 8.213 -0.011 10.583 1.00 0.00 C ATOM 0 H ILE B 240 7.177 -3.525 9.085 1.00 0.00 H new ATOM 0 HA ILE B 240 5.533 -3.069 11.306 1.00 0.00 H new ATOM 0 HB ILE B 240 6.355 -1.295 8.972 1.00 0.00 H new ATOM 0 HG12 ILE B 240 7.357 -1.512 11.834 1.00 0.00 H new ATOM 0 HG13 ILE B 240 8.178 -2.137 10.418 1.00 0.00 H new ATOM 0 HG21 ILE B 240 5.708 0.632 10.371 1.00 0.00 H new ATOM 0 HG22 ILE B 240 4.310 -0.391 9.963 1.00 0.00 H new ATOM 0 HG23 ILE B 240 5.037 -0.483 11.585 1.00 0.00 H new ATOM 0 HD11 ILE B 240 9.156 -0.011 11.130 1.00 0.00 H new ATOM 0 HD12 ILE B 240 8.408 0.152 9.523 1.00 0.00 H new ATOM 0 HD13 ILE B 240 7.575 0.787 10.961 1.00 0.00 H new ATOM 1454 N ILE B 241 3.937 -3.395 8.503 1.00 0.00 N ATOM 1455 CA ILE B 241 2.615 -3.454 7.884 1.00 0.00 C ATOM 1456 C ILE B 241 1.853 -4.698 8.334 1.00 0.00 C ATOM 1457 O ILE B 241 0.706 -4.615 8.779 1.00 0.00 O ATOM 1458 CB ILE B 241 2.695 -3.445 6.338 1.00 0.00 C ATOM 1459 CG1 ILE B 241 3.930 -2.687 5.841 1.00 0.00 C ATOM 1460 CG2 ILE B 241 1.444 -2.818 5.759 1.00 0.00 C ATOM 1461 CD1 ILE B 241 4.017 -1.266 6.354 1.00 0.00 C ATOM 0 H ILE B 241 4.683 -3.808 7.943 1.00 0.00 H new ATOM 0 HA ILE B 241 2.083 -2.560 8.210 1.00 0.00 H new ATOM 0 HB ILE B 241 2.777 -4.479 6.004 1.00 0.00 H new ATOM 0 HG12 ILE B 241 4.825 -3.229 6.145 1.00 0.00 H new ATOM 0 HG13 ILE B 241 3.922 -2.671 4.751 1.00 0.00 H new ATOM 0 HG21 ILE B 241 1.508 -2.816 4.671 1.00 0.00 H new ATOM 0 HG22 ILE B 241 0.572 -3.393 6.070 1.00 0.00 H new ATOM 0 HG23 ILE B 241 1.350 -1.794 6.119 1.00 0.00 H new ATOM 0 HD11 ILE B 241 4.916 -0.792 5.961 1.00 0.00 H new ATOM 0 HD12 ILE B 241 3.140 -0.707 6.028 1.00 0.00 H new ATOM 0 HD13 ILE B 241 4.058 -1.274 7.443 1.00 0.00 H new TER 1473 ILE B 241