USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 915 hydrogens (14 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 121 PTR HN2 : B 121 PTR N : B 120 ASP C :(H bumps) USER MOD NoAdj-H: B 121 PTR H : B 121 PTR N : B 120 ASP C :(H bumps) USER MOD Set 1.1: A 13 ASN : amide:sc= -17! C(o=-17!,f=-18!) USER MOD Set 1.2: A 110 CYS SG : rot -45:sc= 0.481 USER MOD Set 2.1: A 81 LYS NZ :NH3+ -123:sc= -0.691 (180deg=-2.14!) USER MOD Set 2.2: A 93 TYR OH : rot 180:sc= 0.038 USER MOD Set 3.1: A 62 LYS NZ :NH3+ -149:sc= -13.8! (180deg=-16.6!) USER MOD Set 3.2: A 64 TYR OH : rot -105:sc= -5.62! USER MOD Set 4.1: A 51 THR OG1 : rot 37:sc= -8! USER MOD Set 4.2: A 103 THR OG1 : rot 64:sc= -0.984! USER MOD Set 5.1: A 4 ASN : amide:sc= -6.23! C(o=-6.2!,f=-6.6!) USER MOD Set 5.2: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 44 THR OG1 : rot 64:sc= -2.19! USER MOD Set 6.2: A 46 THR OG1 : rot 76:sc= -6.27! USER MOD Set 6.3: A 65 HIS :FLIP no HD1:sc= -17! C(o=-28!,f=-25!) USER MOD Set 7.1: A 30 LYS NZ :NH3+ 179:sc= 0.41 (180deg=0.307) USER MOD Set 7.2: A 107 TYR OH : rot 180:sc= 0 USER MOD Set 8.1: A 5 ASN :FLIP amide:sc= -11.1! C(o=-17!,f=-16!) USER MOD Set 8.2: A 8 THR OG1 : rot -74:sc= 0.0348 USER MOD Set 8.3: A 9 TYR OH : rot 30:sc= -4.73! USER MOD Single : A 12 TYR OH : rot -130:sc= -3.13! USER MOD Single : A 14 LYS NZ :NH3+ -152:sc= -0.635! (180deg=-2.18!) USER MOD Single : A 15 SER OG : rot 33:sc= 0.552 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -172:sc= -0.0489 (180deg=-0.0847) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 157:sc= -26.4! (180deg=-29.8!) USER MOD Single : A 39 SER OG : rot 129:sc= -0.135! USER MOD Single : A 41 THR OG1 : rot -63:sc= 0.0831 USER MOD Single : A 48 SER OG : rot -100:sc= -4.5! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -4.59! C(o=-5.1!,f=-4.6!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -16.2! C(o=-16!,f=-20!) USER MOD Single : A 67 LYS NZ :NH3+ 166:sc= -0.807 (180deg=-1.4!) USER MOD Single : A 69 THR OG1 : rot -146:sc= -0.773! USER MOD Single : A 70 ASN :FLIP amide:sc= -2.24! C(o=-3.3!,f=-2.2!) USER MOD Single : A 72 SER OG : rot 180:sc= -5.81! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 21:sc= 0.297 USER MOD Single : A 92 GLN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 94 HIS :FLIP no HE2:sc= -23.8! C(o=-31!,f=-24!) USER MOD Single : A 95 GLN :FLIP amide:sc= -12.2! C(o=-16!,f=-12!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.862 F(o=-1.6!,f=-0.86) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 0.997 14.647 9.203 1.00 0.00 C HETATM 2 O ACE A 3 1.827 14.850 8.318 1.00 0.00 O HETATM 3 CH3 ACE A 3 0.991 15.480 10.461 1.00 0.00 C HETATM 0 H1 ACE A 3 0.034 15.993 10.553 1.00 0.00 H new HETATM 0 H2 ACE A 3 1.141 14.834 11.326 1.00 0.00 H new HETATM 0 H3 ACE A 3 1.794 16.216 10.414 1.00 0.00 H new ATOM 7 N ASN A 4 0.067 13.703 9.120 1.00 0.00 N ATOM 8 CA ASN A 4 -0.038 12.828 7.960 1.00 0.00 C ATOM 9 C ASN A 4 -1.091 11.762 8.210 1.00 0.00 C ATOM 10 O ASN A 4 -0.792 10.570 8.229 1.00 0.00 O ATOM 11 CB ASN A 4 1.310 12.171 7.656 1.00 0.00 C ATOM 12 CG ASN A 4 2.204 13.050 6.803 1.00 0.00 C ATOM 13 OD1 ASN A 4 3.229 13.551 7.267 1.00 0.00 O ATOM 14 ND2 ASN A 4 1.819 13.244 5.547 1.00 0.00 N ATOM 0 H ASN A 4 -0.627 13.524 9.845 1.00 0.00 H new ATOM 0 HA ASN A 4 -0.332 13.428 7.098 1.00 0.00 H new ATOM 0 HB2 ASN A 4 1.818 11.941 8.593 1.00 0.00 H new ATOM 0 HB3 ASN A 4 1.142 11.224 7.144 1.00 0.00 H new ATOM 0 HD21 ASN A 4 2.380 13.827 4.926 1.00 0.00 H new ATOM 0 HD22 ASN A 4 0.962 12.810 5.203 1.00 0.00 H new ATOM 21 N ASN A 5 -2.325 12.208 8.416 1.00 0.00 N ATOM 22 CA ASN A 5 -3.429 11.299 8.679 1.00 0.00 C ATOM 23 C ASN A 5 -3.106 9.892 8.199 1.00 0.00 C ATOM 24 O ASN A 5 -3.437 8.905 8.854 1.00 0.00 O ATOM 25 CB ASN A 5 -4.708 11.798 8.008 1.00 0.00 C ATOM 26 CG ASN A 5 -5.893 10.926 8.352 1.00 0.00 C ATOM 27 OD1 ASN A 5 -5.682 10.008 9.285 1.00 0.00 O flip ATOM 28 ND2 ASN A 5 -6.978 11.075 7.791 1.00 0.00 N flip ATOM 0 H ASN A 5 -2.584 13.195 8.405 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.584 11.268 9.757 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.907 12.823 8.320 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.570 11.815 6.927 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -7.089 11.797 7.079 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.766 10.477 8.038 1.00 0.00 H new ATOM 35 N LEU A 6 -2.453 9.815 7.051 1.00 0.00 N ATOM 36 CA LEU A 6 -2.073 8.534 6.466 1.00 0.00 C ATOM 37 C LEU A 6 -1.140 7.767 7.396 1.00 0.00 C ATOM 38 O LEU A 6 -1.354 6.590 7.685 1.00 0.00 O ATOM 39 CB LEU A 6 -1.391 8.761 5.117 1.00 0.00 C ATOM 40 CG LEU A 6 -1.157 7.502 4.284 1.00 0.00 C ATOM 41 CD1 LEU A 6 -2.355 7.226 3.393 1.00 0.00 C ATOM 42 CD2 LEU A 6 0.107 7.642 3.451 1.00 0.00 C ATOM 0 H LEU A 6 -2.173 10.627 6.501 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.976 7.941 6.320 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.997 9.455 4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.430 9.245 5.291 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.030 6.658 4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.172 6.326 2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.242 7.083 4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.512 8.071 2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.258 6.736 2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.009 8.496 2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.962 7.794 4.110 1.00 0.00 H new ATOM 54 N GLU A 7 -0.103 8.451 7.847 1.00 0.00 N ATOM 55 CA GLU A 7 0.893 7.864 8.735 1.00 0.00 C ATOM 56 C GLU A 7 0.282 7.477 10.074 1.00 0.00 C ATOM 57 O GLU A 7 0.898 6.752 10.859 1.00 0.00 O ATOM 58 CB GLU A 7 2.045 8.846 8.954 1.00 0.00 C ATOM 59 CG GLU A 7 1.815 9.804 10.113 1.00 0.00 C ATOM 60 CD GLU A 7 2.976 10.759 10.318 1.00 0.00 C ATOM 61 OE1 GLU A 7 4.118 10.280 10.473 1.00 0.00 O ATOM 62 OE2 GLU A 7 2.740 11.984 10.323 1.00 0.00 O ATOM 0 H GLU A 7 0.075 9.427 7.610 1.00 0.00 H new ATOM 0 HA GLU A 7 1.273 6.959 8.261 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.961 8.284 9.134 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.199 9.422 8.042 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.906 10.377 9.931 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.654 9.232 11.027 1.00 0.00 H new ATOM 69 N THR A 8 -0.921 7.967 10.341 1.00 0.00 N ATOM 70 CA THR A 8 -1.592 7.670 11.599 1.00 0.00 C ATOM 71 C THR A 8 -2.499 6.455 11.478 1.00 0.00 C ATOM 72 O THR A 8 -3.026 5.964 12.476 1.00 0.00 O ATOM 73 CB THR A 8 -2.396 8.880 12.075 1.00 0.00 C ATOM 74 OG1 THR A 8 -3.787 8.623 11.990 1.00 0.00 O ATOM 75 CG2 THR A 8 -2.112 10.137 11.282 1.00 0.00 C ATOM 0 H THR A 8 -1.449 8.568 9.708 1.00 0.00 H new ATOM 0 HA THR A 8 -0.821 7.441 12.335 1.00 0.00 H new ATOM 0 HB THR A 8 -2.087 9.044 13.107 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.068 8.652 11.052 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.715 10.957 11.672 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.055 10.391 11.368 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.360 9.970 10.234 1.00 0.00 H new ATOM 83 N TYR A 9 -2.676 5.963 10.259 1.00 0.00 N ATOM 84 CA TYR A 9 -3.516 4.803 10.037 1.00 0.00 C ATOM 85 C TYR A 9 -2.736 3.523 10.272 1.00 0.00 C ATOM 86 O TYR A 9 -1.507 3.528 10.308 1.00 0.00 O ATOM 87 CB TYR A 9 -4.081 4.812 8.622 1.00 0.00 C ATOM 88 CG TYR A 9 -5.077 5.917 8.398 1.00 0.00 C ATOM 89 CD1 TYR A 9 -6.417 5.738 8.706 1.00 0.00 C ATOM 90 CD2 TYR A 9 -4.674 7.138 7.888 1.00 0.00 C ATOM 91 CE1 TYR A 9 -7.332 6.752 8.509 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.578 8.158 7.687 1.00 0.00 C ATOM 93 CZ TYR A 9 -6.909 7.964 7.998 1.00 0.00 C ATOM 94 OH TYR A 9 -7.818 8.982 7.799 1.00 0.00 O ATOM 0 H TYR A 9 -2.250 6.349 9.416 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.342 4.846 10.746 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.263 4.917 7.910 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.558 3.853 8.420 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.749 4.791 9.106 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.634 7.294 7.643 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -8.373 6.599 8.753 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.247 9.105 7.288 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.542 8.907 8.455 1.00 0.00 H new ATOM 104 N GLU A 10 -3.460 2.428 10.439 1.00 0.00 N ATOM 105 CA GLU A 10 -2.836 1.141 10.679 1.00 0.00 C ATOM 106 C GLU A 10 -2.273 0.554 9.395 1.00 0.00 C ATOM 107 O GLU A 10 -2.240 -0.665 9.230 1.00 0.00 O ATOM 108 CB GLU A 10 -3.842 0.167 11.290 1.00 0.00 C ATOM 109 CG GLU A 10 -3.244 -1.191 11.621 1.00 0.00 C ATOM 110 CD GLU A 10 -3.009 -1.379 13.107 1.00 0.00 C ATOM 111 OE1 GLU A 10 -2.283 -0.558 13.702 1.00 0.00 O ATOM 112 OE2 GLU A 10 -3.553 -2.351 13.674 1.00 0.00 O ATOM 0 H GLU A 10 -4.479 2.407 10.412 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.014 1.297 11.377 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.255 0.605 12.199 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.672 0.031 10.596 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.910 -1.975 11.260 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.299 -1.307 11.090 1.00 0.00 H new ATOM 119 N TRP A 11 -1.844 1.409 8.476 1.00 0.00 N ATOM 120 CA TRP A 11 -1.316 0.912 7.218 1.00 0.00 C ATOM 121 C TRP A 11 -0.237 1.799 6.601 1.00 0.00 C ATOM 122 O TRP A 11 0.411 1.383 5.644 1.00 0.00 O ATOM 123 CB TRP A 11 -2.457 0.726 6.224 1.00 0.00 C ATOM 124 CG TRP A 11 -3.631 1.622 6.487 1.00 0.00 C ATOM 125 CD1 TRP A 11 -4.649 1.409 7.371 1.00 0.00 C ATOM 126 CD2 TRP A 11 -3.913 2.872 5.848 1.00 0.00 C ATOM 127 NE1 TRP A 11 -5.538 2.453 7.328 1.00 0.00 N ATOM 128 CE2 TRP A 11 -5.113 3.359 6.394 1.00 0.00 C ATOM 129 CE3 TRP A 11 -3.267 3.625 4.869 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -5.677 4.562 5.988 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -3.831 4.823 4.470 1.00 0.00 C ATOM 132 CH2 TRP A 11 -5.028 5.279 5.027 1.00 0.00 C ATOM 0 H TRP A 11 -1.851 2.424 8.575 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.834 -0.040 7.443 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -2.085 0.914 5.217 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -2.788 -0.312 6.253 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.741 0.544 8.011 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -6.379 2.540 7.899 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.343 3.279 4.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.601 4.918 6.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.337 5.416 3.715 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -5.447 6.216 4.691 1.00 0.00 H new ATOM 143 N TYR A 12 -0.020 3.008 7.115 1.00 0.00 N ATOM 144 CA TYR A 12 1.004 3.855 6.525 1.00 0.00 C ATOM 145 C TYR A 12 2.386 3.486 7.030 1.00 0.00 C ATOM 146 O TYR A 12 2.732 3.715 8.189 1.00 0.00 O ATOM 147 CB TYR A 12 0.748 5.343 6.756 1.00 0.00 C ATOM 148 CG TYR A 12 1.647 6.210 5.895 1.00 0.00 C ATOM 149 CD1 TYR A 12 2.740 5.652 5.243 1.00 0.00 C ATOM 150 CD2 TYR A 12 1.411 7.567 5.723 1.00 0.00 C ATOM 151 CE1 TYR A 12 3.569 6.411 4.451 1.00 0.00 C ATOM 152 CE2 TYR A 12 2.239 8.339 4.928 1.00 0.00 C ATOM 153 CZ TYR A 12 3.317 7.757 4.293 1.00 0.00 C ATOM 154 OH TYR A 12 4.142 8.523 3.502 1.00 0.00 O ATOM 0 H TYR A 12 -0.520 3.409 7.909 1.00 0.00 H new ATOM 0 HA TYR A 12 0.957 3.676 5.451 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.295 5.571 6.536 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.912 5.581 7.807 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.943 4.598 5.361 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.568 8.027 6.217 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.413 5.955 3.955 1.00 0.00 H new ATOM 0 HE2 TYR A 12 2.042 9.394 4.805 1.00 0.00 H new ATOM 0 HH TYR A 12 4.413 9.326 3.994 1.00 0.00 H new ATOM 164 N ASN A 13 3.171 2.929 6.126 1.00 0.00 N ATOM 165 CA ASN A 13 4.532 2.526 6.411 1.00 0.00 C ATOM 166 C ASN A 13 5.493 3.628 5.977 1.00 0.00 C ATOM 167 O ASN A 13 5.307 4.241 4.926 1.00 0.00 O ATOM 168 CB ASN A 13 4.834 1.216 5.691 1.00 0.00 C ATOM 169 CG ASN A 13 5.438 0.172 6.612 1.00 0.00 C ATOM 170 OD1 ASN A 13 6.284 -0.621 6.200 1.00 0.00 O ATOM 171 ND2 ASN A 13 5.001 0.165 7.865 1.00 0.00 N ATOM 0 H ASN A 13 2.878 2.743 5.167 1.00 0.00 H new ATOM 0 HA ASN A 13 4.658 2.367 7.482 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.915 0.824 5.256 1.00 0.00 H new ATOM 0 HB3 ASN A 13 5.520 1.408 4.866 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.368 -0.517 8.529 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.298 0.841 8.164 1.00 0.00 H new ATOM 178 N LYS A 14 6.494 3.906 6.805 1.00 0.00 N ATOM 179 CA LYS A 14 7.454 4.969 6.517 1.00 0.00 C ATOM 180 C LYS A 14 7.916 4.937 5.059 1.00 0.00 C ATOM 181 O LYS A 14 7.224 4.417 4.186 1.00 0.00 O ATOM 182 CB LYS A 14 8.664 4.852 7.445 1.00 0.00 C ATOM 183 CG LYS A 14 8.836 6.043 8.373 1.00 0.00 C ATOM 184 CD LYS A 14 10.190 6.706 8.182 1.00 0.00 C ATOM 185 CE LYS A 14 11.130 6.397 9.337 1.00 0.00 C ATOM 186 NZ LYS A 14 10.419 6.392 10.646 1.00 0.00 N ATOM 0 H LYS A 14 6.663 3.411 7.681 1.00 0.00 H new ATOM 0 HA LYS A 14 6.951 5.921 6.689 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.566 3.947 8.044 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.565 4.739 6.842 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.045 6.769 8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.732 5.717 9.408 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.635 6.364 7.248 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.059 7.785 8.097 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.598 5.426 9.174 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.930 7.137 9.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.083 6.652 11.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.638 7.079 10.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.038 5.442 10.831 1.00 0.00 H new ATOM 200 N SER A 15 9.083 5.519 4.805 1.00 0.00 N ATOM 201 CA SER A 15 9.637 5.583 3.456 1.00 0.00 C ATOM 202 C SER A 15 9.978 4.198 2.925 1.00 0.00 C ATOM 203 O SER A 15 10.590 4.064 1.866 1.00 0.00 O ATOM 204 CB SER A 15 10.887 6.466 3.440 1.00 0.00 C ATOM 205 OG SER A 15 11.884 5.925 2.590 1.00 0.00 O ATOM 0 H SER A 15 9.667 5.955 5.519 1.00 0.00 H new ATOM 0 HA SER A 15 8.877 6.016 2.806 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.623 7.469 3.104 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.281 6.562 4.452 1.00 0.00 H new ATOM 0 HG SER A 15 11.458 5.465 1.837 1.00 0.00 H new ATOM 211 N ILE A 16 9.583 3.170 3.662 1.00 0.00 N ATOM 212 CA ILE A 16 9.850 1.807 3.266 1.00 0.00 C ATOM 213 C ILE A 16 9.013 1.405 2.054 1.00 0.00 C ATOM 214 O ILE A 16 7.841 1.055 2.183 1.00 0.00 O ATOM 215 CB ILE A 16 9.557 0.852 4.427 1.00 0.00 C ATOM 216 CG1 ILE A 16 8.084 0.919 4.824 1.00 0.00 C ATOM 217 CG2 ILE A 16 10.447 1.175 5.617 1.00 0.00 C ATOM 218 CD1 ILE A 16 7.784 1.983 5.855 1.00 0.00 C ATOM 0 H ILE A 16 9.074 3.262 4.541 1.00 0.00 H new ATOM 0 HA ILE A 16 10.904 1.742 2.994 1.00 0.00 H new ATOM 0 HB ILE A 16 9.774 -0.164 4.098 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.484 1.108 3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.777 -0.051 5.215 1.00 0.00 H new ATOM 0 HG21 ILE A 16 10.226 0.487 6.434 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.493 1.071 5.328 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.261 2.198 5.944 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.719 1.973 6.089 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.357 1.784 6.761 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.059 2.961 5.460 1.00 0.00 H new ATOM 230 N SER A 17 9.624 1.455 0.877 1.00 0.00 N ATOM 231 CA SER A 17 8.933 1.093 -0.354 1.00 0.00 C ATOM 232 C SER A 17 8.014 -0.101 -0.124 1.00 0.00 C ATOM 233 O SER A 17 8.180 -0.849 0.841 1.00 0.00 O ATOM 234 CB SER A 17 9.944 0.770 -1.455 1.00 0.00 C ATOM 235 OG SER A 17 9.578 1.385 -2.680 1.00 0.00 O ATOM 0 H SER A 17 10.594 1.742 0.749 1.00 0.00 H new ATOM 0 HA SER A 17 8.327 1.943 -0.668 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.935 1.111 -1.155 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.006 -0.310 -1.591 1.00 0.00 H new ATOM 0 HG SER A 17 10.241 1.165 -3.367 1.00 0.00 H new ATOM 241 N ARG A 18 7.044 -0.274 -1.013 1.00 0.00 N ATOM 242 CA ARG A 18 6.098 -1.376 -0.905 1.00 0.00 C ATOM 243 C ARG A 18 6.822 -2.717 -0.896 1.00 0.00 C ATOM 244 O ARG A 18 6.293 -3.710 -0.397 1.00 0.00 O ATOM 245 CB ARG A 18 5.100 -1.335 -2.064 1.00 0.00 C ATOM 246 CG ARG A 18 5.615 -0.591 -3.283 1.00 0.00 C ATOM 247 CD ARG A 18 5.285 -1.332 -4.569 1.00 0.00 C ATOM 248 NE ARG A 18 6.391 -1.293 -5.522 1.00 0.00 N ATOM 249 CZ ARG A 18 7.259 -2.287 -5.683 1.00 0.00 C ATOM 250 NH1 ARG A 18 7.149 -3.390 -4.957 1.00 0.00 N ATOM 251 NH2 ARG A 18 8.238 -2.177 -6.570 1.00 0.00 N ATOM 0 H ARG A 18 6.892 0.335 -1.817 1.00 0.00 H new ATOM 0 HA ARG A 18 5.560 -1.266 0.036 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.848 -2.356 -2.351 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.179 -0.863 -1.723 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.176 0.406 -3.314 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.694 -0.462 -3.203 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.042 -2.369 -4.338 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.398 -0.891 -5.024 1.00 0.00 H new ATOM 0 HE ARG A 18 6.504 -0.457 -6.096 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.397 -3.478 -4.273 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.816 -4.152 -5.082 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.326 -1.329 -7.130 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.903 -2.940 -6.693 1.00 0.00 H new ATOM 265 N ASP A 19 8.032 -2.747 -1.450 1.00 0.00 N ATOM 266 CA ASP A 19 8.804 -3.984 -1.493 1.00 0.00 C ATOM 267 C ASP A 19 9.053 -4.499 -0.088 1.00 0.00 C ATOM 268 O ASP A 19 8.932 -5.698 0.187 1.00 0.00 O ATOM 269 CB ASP A 19 10.142 -3.743 -2.192 1.00 0.00 C ATOM 270 CG ASP A 19 9.984 -3.020 -3.515 1.00 0.00 C ATOM 271 OD1 ASP A 19 9.770 -3.698 -4.541 1.00 0.00 O ATOM 272 OD2 ASP A 19 10.074 -1.773 -3.524 1.00 0.00 O ATOM 0 H ASP A 19 8.493 -1.940 -1.870 1.00 0.00 H new ATOM 0 HA ASP A 19 8.234 -4.728 -2.050 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.790 -3.160 -1.538 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.637 -4.699 -2.361 1.00 0.00 H new ATOM 277 N LYS A 20 9.361 -3.578 0.809 1.00 0.00 N ATOM 278 CA LYS A 20 9.597 -3.919 2.194 1.00 0.00 C ATOM 279 C LYS A 20 8.267 -4.155 2.870 1.00 0.00 C ATOM 280 O LYS A 20 8.099 -5.102 3.639 1.00 0.00 O ATOM 281 CB LYS A 20 10.385 -2.813 2.885 1.00 0.00 C ATOM 282 CG LYS A 20 9.803 -2.383 4.214 1.00 0.00 C ATOM 283 CD LYS A 20 10.854 -1.693 5.063 1.00 0.00 C ATOM 284 CE LYS A 20 11.889 -0.993 4.195 1.00 0.00 C ATOM 285 NZ LYS A 20 13.191 -0.834 4.900 1.00 0.00 N ATOM 0 H LYS A 20 9.453 -2.584 0.597 1.00 0.00 H new ATOM 0 HA LYS A 20 10.192 -4.830 2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.409 -3.153 3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.434 -1.948 2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.963 -1.709 4.047 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.414 -3.252 4.744 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.375 -0.967 5.720 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.347 -2.425 5.703 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.040 -1.564 3.279 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.513 -0.013 3.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.823 -0.236 4.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.032 -0.387 5.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.628 -1.768 5.037 1.00 0.00 H new ATOM 299 N ALA A 21 7.305 -3.312 2.532 1.00 0.00 N ATOM 300 CA ALA A 21 5.966 -3.453 3.060 1.00 0.00 C ATOM 301 C ALA A 21 5.426 -4.804 2.615 1.00 0.00 C ATOM 302 O ALA A 21 4.877 -5.570 3.407 1.00 0.00 O ATOM 303 CB ALA A 21 5.071 -2.321 2.577 1.00 0.00 C ATOM 0 H ALA A 21 7.430 -2.525 1.895 1.00 0.00 H new ATOM 0 HA ALA A 21 5.985 -3.401 4.149 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.069 -2.449 2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.480 -1.367 2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.022 -2.335 1.488 1.00 0.00 H new ATOM 309 N GLU A 22 5.630 -5.096 1.332 1.00 0.00 N ATOM 310 CA GLU A 22 5.208 -6.363 0.760 1.00 0.00 C ATOM 311 C GLU A 22 6.034 -7.493 1.349 1.00 0.00 C ATOM 312 O GLU A 22 5.493 -8.492 1.823 1.00 0.00 O ATOM 313 CB GLU A 22 5.356 -6.340 -0.763 1.00 0.00 C ATOM 314 CG GLU A 22 4.097 -5.903 -1.489 1.00 0.00 C ATOM 315 CD GLU A 22 3.495 -4.641 -0.903 1.00 0.00 C ATOM 316 OE1 GLU A 22 4.136 -3.575 -1.005 1.00 0.00 O ATOM 317 OE2 GLU A 22 2.381 -4.719 -0.344 1.00 0.00 O ATOM 0 H GLU A 22 6.087 -4.467 0.671 1.00 0.00 H new ATOM 0 HA GLU A 22 4.157 -6.524 1.001 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.171 -5.668 -1.030 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.637 -7.335 -1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.328 -5.736 -2.541 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.361 -6.706 -1.447 1.00 0.00 H new ATOM 324 N LYS A 23 7.349 -7.317 1.335 1.00 0.00 N ATOM 325 CA LYS A 23 8.250 -8.319 1.889 1.00 0.00 C ATOM 326 C LYS A 23 7.916 -8.564 3.352 1.00 0.00 C ATOM 327 O LYS A 23 7.732 -9.700 3.784 1.00 0.00 O ATOM 328 CB LYS A 23 9.707 -7.876 1.750 1.00 0.00 C ATOM 329 CG LYS A 23 10.220 -7.093 2.945 1.00 0.00 C ATOM 330 CD LYS A 23 11.650 -6.624 2.735 1.00 0.00 C ATOM 331 CE LYS A 23 11.898 -5.277 3.394 1.00 0.00 C ATOM 332 NZ LYS A 23 12.851 -5.381 4.533 1.00 0.00 N ATOM 0 H LYS A 23 7.813 -6.495 0.949 1.00 0.00 H new ATOM 0 HA LYS A 23 8.120 -9.246 1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.334 -8.756 1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.808 -7.263 0.854 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.576 -6.231 3.120 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.168 -7.716 3.838 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.340 -7.362 3.144 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.857 -6.551 1.667 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.291 -4.579 2.655 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.952 -4.867 3.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.992 -4.441 4.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.465 -6.027 5.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.762 -5.748 4.191 1.00 0.00 H new ATOM 346 N LEU A 24 7.836 -7.481 4.105 1.00 0.00 N ATOM 347 CA LEU A 24 7.512 -7.556 5.523 1.00 0.00 C ATOM 348 C LEU A 24 6.063 -7.986 5.734 1.00 0.00 C ATOM 349 O LEU A 24 5.774 -8.830 6.581 1.00 0.00 O ATOM 350 CB LEU A 24 7.753 -6.204 6.198 1.00 0.00 C ATOM 351 CG LEU A 24 6.488 -5.479 6.661 1.00 0.00 C ATOM 352 CD1 LEU A 24 6.836 -4.379 7.652 1.00 0.00 C ATOM 353 CD2 LEU A 24 5.737 -4.906 5.471 1.00 0.00 C ATOM 0 H LEU A 24 7.991 -6.534 3.758 1.00 0.00 H new ATOM 0 HA LEU A 24 8.164 -8.304 5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.403 -6.356 7.060 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.290 -5.558 5.503 1.00 0.00 H new ATOM 0 HG LEU A 24 5.842 -6.200 7.161 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.924 -3.874 7.970 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.332 -4.814 8.520 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.502 -3.659 7.177 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.840 -4.394 5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.377 -4.199 4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.455 -5.714 4.796 1.00 0.00 H new ATOM 365 N LEU A 25 5.149 -7.382 4.973 1.00 0.00 N ATOM 366 CA LEU A 25 3.729 -7.691 5.097 1.00 0.00 C ATOM 367 C LEU A 25 3.386 -9.071 4.550 1.00 0.00 C ATOM 368 O LEU A 25 2.695 -9.851 5.206 1.00 0.00 O ATOM 369 CB LEU A 25 2.884 -6.619 4.404 1.00 0.00 C ATOM 370 CG LEU A 25 2.684 -6.810 2.901 1.00 0.00 C ATOM 371 CD1 LEU A 25 1.469 -7.684 2.640 1.00 0.00 C ATOM 372 CD2 LEU A 25 2.529 -5.462 2.211 1.00 0.00 C ATOM 0 H LEU A 25 5.368 -6.679 4.267 1.00 0.00 H new ATOM 0 HA LEU A 25 3.496 -7.699 6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.905 -6.587 4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.352 -5.649 4.570 1.00 0.00 H new ATOM 0 HG LEU A 25 3.564 -7.307 2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.337 -7.813 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.615 -8.658 3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.582 -7.209 3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.387 -5.615 1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.664 -4.941 2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.425 -4.863 2.376 1.00 0.00 H new ATOM 384 N LEU A 26 3.861 -9.368 3.351 1.00 0.00 N ATOM 385 CA LEU A 26 3.586 -10.660 2.731 1.00 0.00 C ATOM 386 C LEU A 26 4.064 -11.801 3.621 1.00 0.00 C ATOM 387 O LEU A 26 3.475 -12.882 3.635 1.00 0.00 O ATOM 388 CB LEU A 26 4.238 -10.755 1.349 1.00 0.00 C ATOM 389 CG LEU A 26 5.546 -11.546 1.304 1.00 0.00 C ATOM 390 CD1 LEU A 26 6.525 -11.008 2.334 1.00 0.00 C ATOM 391 CD2 LEU A 26 5.282 -13.025 1.539 1.00 0.00 C ATOM 0 H LEU A 26 4.435 -8.739 2.789 1.00 0.00 H new ATOM 0 HA LEU A 26 2.507 -10.747 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.529 -11.215 0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.429 -9.746 0.984 1.00 0.00 H new ATOM 0 HG LEU A 26 5.988 -11.430 0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.451 -11.581 2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.736 -9.960 2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.091 -11.097 3.330 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.224 -13.573 1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.819 -13.161 2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.613 -13.403 0.765 1.00 0.00 H new ATOM 403 N ASP A 27 5.132 -11.549 4.363 1.00 0.00 N ATOM 404 CA ASP A 27 5.692 -12.548 5.262 1.00 0.00 C ATOM 405 C ASP A 27 4.734 -12.842 6.409 1.00 0.00 C ATOM 406 O ASP A 27 4.643 -13.974 6.886 1.00 0.00 O ATOM 407 CB ASP A 27 7.039 -12.075 5.813 1.00 0.00 C ATOM 408 CG ASP A 27 7.579 -12.994 6.891 1.00 0.00 C ATOM 409 OD1 ASP A 27 7.113 -14.150 6.972 1.00 0.00 O ATOM 410 OD2 ASP A 27 8.466 -12.558 7.653 1.00 0.00 O ATOM 0 H ASP A 27 5.630 -10.659 4.360 1.00 0.00 H new ATOM 0 HA ASP A 27 5.845 -13.466 4.695 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.760 -12.013 4.998 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.929 -11.069 6.219 1.00 0.00 H new ATOM 415 N THR A 28 4.024 -11.812 6.847 1.00 0.00 N ATOM 416 CA THR A 28 3.072 -11.945 7.940 1.00 0.00 C ATOM 417 C THR A 28 1.865 -12.771 7.517 1.00 0.00 C ATOM 418 O THR A 28 1.267 -13.481 8.326 1.00 0.00 O ATOM 419 CB THR A 28 2.617 -10.565 8.422 1.00 0.00 C ATOM 420 OG1 THR A 28 2.394 -10.570 9.820 1.00 0.00 O ATOM 421 CG2 THR A 28 1.345 -10.088 7.755 1.00 0.00 C ATOM 0 H THR A 28 4.090 -10.871 6.460 1.00 0.00 H new ATOM 0 HA THR A 28 3.572 -12.462 8.759 1.00 0.00 H new ATOM 0 HB THR A 28 3.425 -9.885 8.154 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.106 -9.679 10.108 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.078 -9.104 8.142 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.501 -10.025 6.678 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.539 -10.791 7.964 1.00 0.00 H new ATOM 429 N GLY A 29 1.513 -12.673 6.242 1.00 0.00 N ATOM 430 CA GLY A 29 0.379 -13.416 5.725 1.00 0.00 C ATOM 431 C GLY A 29 -0.934 -12.992 6.357 1.00 0.00 C ATOM 432 O GLY A 29 -1.648 -13.815 6.932 1.00 0.00 O ATOM 0 H GLY A 29 1.993 -12.091 5.555 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.320 -13.277 4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.536 -14.480 5.901 1.00 0.00 H new ATOM 436 N LYS A 30 -1.254 -11.707 6.247 1.00 0.00 N ATOM 437 CA LYS A 30 -2.492 -11.176 6.809 1.00 0.00 C ATOM 438 C LYS A 30 -3.559 -11.043 5.740 1.00 0.00 C ATOM 439 O LYS A 30 -3.413 -10.251 4.811 1.00 0.00 O ATOM 440 CB LYS A 30 -2.258 -9.796 7.422 1.00 0.00 C ATOM 441 CG LYS A 30 -2.345 -9.778 8.939 1.00 0.00 C ATOM 442 CD LYS A 30 -1.149 -9.072 9.557 1.00 0.00 C ATOM 443 CE LYS A 30 -1.109 -9.262 11.065 1.00 0.00 C ATOM 444 NZ LYS A 30 -2.413 -9.739 11.600 1.00 0.00 N ATOM 0 H LYS A 30 -0.674 -11.014 5.774 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.824 -11.875 7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.275 -9.436 7.119 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.992 -9.099 7.017 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.263 -9.277 9.246 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.399 -10.800 9.314 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.230 -9.457 9.116 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.193 -8.008 9.324 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.328 -9.979 11.320 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.844 -8.319 11.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.338 -9.872 12.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.151 -9.035 11.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.662 -10.643 11.151 1.00 0.00 H new ATOM 458 N GLU A 31 -4.647 -11.789 5.873 1.00 0.00 N ATOM 459 CA GLU A 31 -5.714 -11.683 4.899 1.00 0.00 C ATOM 460 C GLU A 31 -6.014 -10.208 4.679 1.00 0.00 C ATOM 461 O GLU A 31 -6.300 -9.478 5.627 1.00 0.00 O ATOM 462 CB GLU A 31 -6.966 -12.417 5.384 1.00 0.00 C ATOM 463 CG GLU A 31 -8.187 -12.178 4.510 1.00 0.00 C ATOM 464 CD GLU A 31 -9.488 -12.335 5.272 1.00 0.00 C ATOM 465 OE1 GLU A 31 -9.501 -12.058 6.490 1.00 0.00 O ATOM 466 OE2 GLU A 31 -10.495 -12.733 4.650 1.00 0.00 O ATOM 0 H GLU A 31 -4.809 -12.457 6.627 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.405 -12.145 3.962 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.759 -13.487 5.420 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.191 -12.101 6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.136 -11.174 4.088 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.173 -12.877 3.674 1.00 0.00 H new ATOM 473 N GLY A 32 -5.929 -9.768 3.434 1.00 0.00 N ATOM 474 CA GLY A 32 -6.174 -8.376 3.134 1.00 0.00 C ATOM 475 C GLY A 32 -5.326 -7.449 3.973 1.00 0.00 C ATOM 476 O GLY A 32 -5.791 -6.393 4.399 1.00 0.00 O ATOM 0 H GLY A 32 -5.695 -10.349 2.629 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.972 -8.193 2.079 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.227 -8.151 3.301 1.00 0.00 H new ATOM 480 N ALA A 33 -4.074 -7.829 4.207 1.00 0.00 N ATOM 481 CA ALA A 33 -3.181 -6.989 5.000 1.00 0.00 C ATOM 482 C ALA A 33 -2.646 -5.856 4.138 1.00 0.00 C ATOM 483 O ALA A 33 -1.995 -6.101 3.125 1.00 0.00 O ATOM 484 CB ALA A 33 -2.037 -7.816 5.569 1.00 0.00 C ATOM 0 H ALA A 33 -3.660 -8.697 3.866 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.739 -6.565 5.835 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.381 -7.174 6.157 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.439 -8.604 6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.470 -8.263 4.752 1.00 0.00 H new ATOM 490 N PHE A 34 -2.940 -4.617 4.521 1.00 0.00 N ATOM 491 CA PHE A 34 -2.495 -3.477 3.733 1.00 0.00 C ATOM 492 C PHE A 34 -1.677 -2.457 4.508 1.00 0.00 C ATOM 493 O PHE A 34 -1.685 -2.407 5.737 1.00 0.00 O ATOM 494 CB PHE A 34 -3.688 -2.788 3.077 1.00 0.00 C ATOM 495 CG PHE A 34 -4.806 -2.483 4.027 1.00 0.00 C ATOM 496 CD1 PHE A 34 -4.618 -1.612 5.085 1.00 0.00 C ATOM 497 CD2 PHE A 34 -6.052 -3.053 3.851 1.00 0.00 C ATOM 498 CE1 PHE A 34 -5.649 -1.318 5.948 1.00 0.00 C ATOM 499 CE2 PHE A 34 -7.086 -2.765 4.714 1.00 0.00 C ATOM 500 CZ PHE A 34 -6.888 -1.895 5.764 1.00 0.00 C ATOM 0 H PHE A 34 -3.475 -4.381 5.357 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.827 -3.890 2.977 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.351 -1.859 2.616 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.067 -3.422 2.276 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.650 -1.157 5.236 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.217 -3.732 3.028 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.488 -0.635 6.769 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.054 -3.222 4.567 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.699 -1.666 6.439 1.00 0.00 H new ATOM 510 N MET A 35 -0.999 -1.625 3.729 1.00 0.00 N ATOM 511 CA MET A 35 -0.171 -0.537 4.232 1.00 0.00 C ATOM 512 C MET A 35 -0.057 0.523 3.142 1.00 0.00 C ATOM 513 O MET A 35 -0.339 0.241 1.983 1.00 0.00 O ATOM 514 CB MET A 35 1.214 -1.044 4.624 1.00 0.00 C ATOM 515 CG MET A 35 1.627 -2.302 3.885 1.00 0.00 C ATOM 516 SD MET A 35 1.725 -3.735 4.971 1.00 0.00 S ATOM 517 CE MET A 35 3.461 -3.703 5.392 1.00 0.00 C ATOM 0 H MET A 35 -1.009 -1.688 2.711 1.00 0.00 H new ATOM 0 HA MET A 35 -0.631 -0.111 5.124 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.947 -0.261 4.431 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.231 -1.239 5.696 1.00 0.00 H new ATOM 0 HG2 MET A 35 0.912 -2.503 3.087 1.00 0.00 H new ATOM 0 HG3 MET A 35 2.596 -2.141 3.412 1.00 0.00 H new ATOM 0 HE1 MET A 35 3.617 -4.231 6.333 1.00 0.00 H new ATOM 0 HE2 MET A 35 4.036 -4.189 4.604 1.00 0.00 H new ATOM 0 HE3 MET A 35 3.791 -2.669 5.497 1.00 0.00 H new ATOM 527 N VAL A 36 0.341 1.738 3.493 1.00 0.00 N ATOM 528 CA VAL A 36 0.463 2.791 2.497 1.00 0.00 C ATOM 529 C VAL A 36 1.700 3.642 2.743 1.00 0.00 C ATOM 530 O VAL A 36 1.849 4.234 3.806 1.00 0.00 O ATOM 531 CB VAL A 36 -0.792 3.682 2.475 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.049 2.820 2.448 1.00 0.00 C ATOM 533 CG2 VAL A 36 -0.797 4.623 3.669 1.00 0.00 C ATOM 0 H VAL A 36 0.581 2.016 4.445 1.00 0.00 H new ATOM 0 HA VAL A 36 0.564 2.307 1.525 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.777 4.290 1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.930 3.462 2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.041 2.193 1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.076 2.188 3.336 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.691 5.246 3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.792 4.041 4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.088 5.258 3.636 1.00 0.00 H new ATOM 543 N ARG A 37 2.590 3.688 1.757 1.00 0.00 N ATOM 544 CA ARG A 37 3.817 4.458 1.874 1.00 0.00 C ATOM 545 C ARG A 37 3.940 5.485 0.752 1.00 0.00 C ATOM 546 O ARG A 37 3.354 5.327 -0.319 1.00 0.00 O ATOM 547 CB ARG A 37 5.028 3.522 1.862 1.00 0.00 C ATOM 548 CG ARG A 37 6.362 4.250 1.924 1.00 0.00 C ATOM 549 CD ARG A 37 6.887 4.571 0.535 1.00 0.00 C ATOM 550 NE ARG A 37 8.120 5.351 0.585 1.00 0.00 N ATOM 551 CZ ARG A 37 9.164 5.134 -0.211 1.00 0.00 C ATOM 552 NH1 ARG A 37 9.123 4.166 -1.116 1.00 0.00 N ATOM 553 NH2 ARG A 37 10.249 5.889 -0.104 1.00 0.00 N ATOM 0 H ARG A 37 2.482 3.200 0.868 1.00 0.00 H new ATOM 0 HA ARG A 37 3.785 4.997 2.821 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.957 2.839 2.708 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.997 2.914 0.958 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.248 5.173 2.493 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.089 3.635 2.456 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.066 3.643 -0.009 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.130 5.124 -0.020 1.00 0.00 H new ATOM 0 HE ARG A 37 8.185 6.105 1.269 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.289 3.585 -1.204 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.925 4.002 -1.725 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.284 6.637 0.589 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.049 5.722 -0.715 1.00 0.00 H new ATOM 567 N ASP A 38 4.714 6.536 1.011 1.00 0.00 N ATOM 568 CA ASP A 38 4.928 7.594 0.028 1.00 0.00 C ATOM 569 C ASP A 38 6.029 7.202 -0.953 1.00 0.00 C ATOM 570 O ASP A 38 7.187 7.035 -0.569 1.00 0.00 O ATOM 571 CB ASP A 38 5.294 8.903 0.728 1.00 0.00 C ATOM 572 CG ASP A 38 4.581 10.098 0.127 1.00 0.00 C ATOM 573 OD1 ASP A 38 3.378 10.276 0.411 1.00 0.00 O ATOM 574 OD2 ASP A 38 5.225 10.856 -0.628 1.00 0.00 O ATOM 0 H ASP A 38 5.204 6.677 1.894 1.00 0.00 H new ATOM 0 HA ASP A 38 4.001 7.737 -0.528 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.044 8.828 1.786 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.371 9.057 0.665 1.00 0.00 H new ATOM 579 N SER A 39 5.657 7.042 -2.219 1.00 0.00 N ATOM 580 CA SER A 39 6.610 6.657 -3.256 1.00 0.00 C ATOM 581 C SER A 39 7.643 7.752 -3.515 1.00 0.00 C ATOM 582 O SER A 39 7.372 8.936 -3.317 1.00 0.00 O ATOM 583 CB SER A 39 5.871 6.327 -4.553 1.00 0.00 C ATOM 584 OG SER A 39 6.778 6.106 -5.617 1.00 0.00 O ATOM 0 H SER A 39 4.702 7.173 -2.552 1.00 0.00 H new ATOM 0 HA SER A 39 7.141 5.774 -2.901 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.254 5.440 -4.408 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.198 7.145 -4.809 1.00 0.00 H new ATOM 0 HG SER A 39 6.569 5.254 -6.053 1.00 0.00 H new ATOM 590 N ARG A 40 8.825 7.340 -3.972 1.00 0.00 N ATOM 591 CA ARG A 40 9.909 8.269 -4.275 1.00 0.00 C ATOM 592 C ARG A 40 9.365 9.510 -4.964 1.00 0.00 C ATOM 593 O ARG A 40 9.980 10.575 -4.932 1.00 0.00 O ATOM 594 CB ARG A 40 10.955 7.594 -5.165 1.00 0.00 C ATOM 595 CG ARG A 40 12.209 7.173 -4.415 1.00 0.00 C ATOM 596 CD ARG A 40 12.608 8.205 -3.374 1.00 0.00 C ATOM 597 NE ARG A 40 14.057 8.294 -3.218 1.00 0.00 N ATOM 598 CZ ARG A 40 14.825 7.263 -2.877 1.00 0.00 C ATOM 599 NH1 ARG A 40 14.283 6.073 -2.659 1.00 0.00 N ATOM 600 NH2 ARG A 40 16.136 7.423 -2.756 1.00 0.00 N ATOM 0 H ARG A 40 9.055 6.361 -4.141 1.00 0.00 H new ATOM 0 HA ARG A 40 10.381 8.565 -3.338 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.510 6.716 -5.634 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.233 8.277 -5.967 1.00 0.00 H new ATOM 0 HG2 ARG A 40 12.038 6.212 -3.930 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.027 7.032 -5.122 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.214 9.180 -3.661 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.156 7.947 -2.416 1.00 0.00 H new ATOM 0 HE ARG A 40 14.505 9.196 -3.379 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.275 5.947 -2.753 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.874 5.284 -2.398 1.00 0.00 H new ATOM 0 HH21 ARG A 40 16.556 8.337 -2.924 1.00 0.00 H new ATOM 0 HH22 ARG A 40 16.724 6.632 -2.494 1.00 0.00 H new ATOM 614 N THR A 41 8.193 9.365 -5.570 1.00 0.00 N ATOM 615 CA THR A 41 7.538 10.469 -6.246 1.00 0.00 C ATOM 616 C THR A 41 6.441 11.034 -5.353 1.00 0.00 C ATOM 617 O THR A 41 5.269 11.052 -5.725 1.00 0.00 O ATOM 618 CB THR A 41 6.949 10.009 -7.581 1.00 0.00 C ATOM 619 OG1 THR A 41 6.479 11.116 -8.330 1.00 0.00 O ATOM 620 CG2 THR A 41 5.798 9.038 -7.425 1.00 0.00 C ATOM 0 H THR A 41 7.677 8.486 -5.605 1.00 0.00 H new ATOM 0 HA THR A 41 8.274 11.247 -6.448 1.00 0.00 H new ATOM 0 HB THR A 41 7.764 9.501 -8.096 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.745 11.550 -7.847 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.427 8.752 -8.409 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.141 8.150 -6.894 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.996 9.512 -6.859 1.00 0.00 H new ATOM 628 N PRO A 42 6.823 11.484 -4.148 1.00 0.00 N ATOM 629 CA PRO A 42 5.900 12.038 -3.160 1.00 0.00 C ATOM 630 C PRO A 42 4.754 12.833 -3.774 1.00 0.00 C ATOM 631 O PRO A 42 4.638 14.043 -3.581 1.00 0.00 O ATOM 632 CB PRO A 42 6.815 12.926 -2.333 1.00 0.00 C ATOM 633 CG PRO A 42 8.103 12.174 -2.308 1.00 0.00 C ATOM 634 CD PRO A 42 8.206 11.475 -3.640 1.00 0.00 C ATOM 0 HA PRO A 42 5.387 11.264 -2.590 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.934 13.911 -2.785 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.422 13.082 -1.328 1.00 0.00 H new ATOM 0 HG2 PRO A 42 8.945 12.849 -2.156 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.119 11.455 -1.489 1.00 0.00 H new ATOM 0 HD2 PRO A 42 8.884 11.998 -4.315 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.586 10.459 -3.531 1.00 0.00 H new ATOM 642 N GLY A 43 3.895 12.121 -4.489 1.00 0.00 N ATOM 643 CA GLY A 43 2.733 12.725 -5.107 1.00 0.00 C ATOM 644 C GLY A 43 1.497 11.920 -4.783 1.00 0.00 C ATOM 645 O GLY A 43 0.426 12.469 -4.521 1.00 0.00 O ATOM 0 H GLY A 43 3.986 11.118 -4.654 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.613 13.749 -4.752 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.871 12.776 -6.187 1.00 0.00 H new ATOM 649 N THR A 44 1.671 10.605 -4.779 1.00 0.00 N ATOM 650 CA THR A 44 0.611 9.674 -4.466 1.00 0.00 C ATOM 651 C THR A 44 1.075 8.722 -3.369 1.00 0.00 C ATOM 652 O THR A 44 2.275 8.544 -3.162 1.00 0.00 O ATOM 653 CB THR A 44 0.221 8.894 -5.715 1.00 0.00 C ATOM 654 OG1 THR A 44 -0.028 7.535 -5.405 1.00 0.00 O ATOM 655 CG2 THR A 44 1.279 8.934 -6.797 1.00 0.00 C ATOM 0 H THR A 44 2.562 10.157 -4.996 1.00 0.00 H new ATOM 0 HA THR A 44 -0.261 10.223 -4.112 1.00 0.00 H new ATOM 0 HB THR A 44 -0.679 9.381 -6.090 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.798 7.473 -4.803 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.940 8.360 -7.659 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.455 9.967 -7.096 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.205 8.504 -6.416 1.00 0.00 H new ATOM 663 N TYR A 45 0.130 8.109 -2.670 1.00 0.00 N ATOM 664 CA TYR A 45 0.468 7.178 -1.602 1.00 0.00 C ATOM 665 C TYR A 45 0.378 5.746 -2.104 1.00 0.00 C ATOM 666 O TYR A 45 -0.581 5.377 -2.779 1.00 0.00 O ATOM 667 CB TYR A 45 -0.459 7.380 -0.403 1.00 0.00 C ATOM 668 CG TYR A 45 -0.048 8.528 0.490 1.00 0.00 C ATOM 669 CD1 TYR A 45 1.217 8.568 1.065 1.00 0.00 C ATOM 670 CD2 TYR A 45 -0.923 9.572 0.759 1.00 0.00 C ATOM 671 CE1 TYR A 45 1.597 9.615 1.881 1.00 0.00 C ATOM 672 CE2 TYR A 45 -0.551 10.624 1.575 1.00 0.00 C ATOM 673 CZ TYR A 45 0.709 10.641 2.134 1.00 0.00 C ATOM 674 OH TYR A 45 1.084 11.686 2.946 1.00 0.00 O ATOM 0 H TYR A 45 -0.870 8.238 -2.821 1.00 0.00 H new ATOM 0 HA TYR A 45 1.492 7.373 -1.283 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.473 7.555 -0.763 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.484 6.463 0.186 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.914 7.767 0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.911 9.562 0.323 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.584 9.631 2.319 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.244 11.428 1.774 1.00 0.00 H new ATOM 0 HH TYR A 45 0.344 12.324 3.021 1.00 0.00 H new ATOM 684 N THR A 46 1.382 4.944 -1.781 1.00 0.00 N ATOM 685 CA THR A 46 1.404 3.556 -2.216 1.00 0.00 C ATOM 686 C THR A 46 0.904 2.638 -1.113 1.00 0.00 C ATOM 687 O THR A 46 1.483 2.582 -0.029 1.00 0.00 O ATOM 688 CB THR A 46 2.817 3.156 -2.636 1.00 0.00 C ATOM 689 OG1 THR A 46 2.811 2.592 -3.933 1.00 0.00 O ATOM 690 CG2 THR A 46 3.461 2.156 -1.699 1.00 0.00 C ATOM 0 H THR A 46 2.187 5.228 -1.223 1.00 0.00 H new ATOM 0 HA THR A 46 0.739 3.455 -3.074 1.00 0.00 H new ATOM 0 HB THR A 46 3.399 4.077 -2.609 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.704 3.303 -4.599 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.462 1.915 -2.056 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.525 2.584 -0.699 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.859 1.248 -1.667 1.00 0.00 H new ATOM 698 N VAL A 47 -0.185 1.929 -1.390 1.00 0.00 N ATOM 699 CA VAL A 47 -0.769 1.030 -0.414 1.00 0.00 C ATOM 700 C VAL A 47 -0.368 -0.426 -0.653 1.00 0.00 C ATOM 701 O VAL A 47 -0.677 -1.006 -1.696 1.00 0.00 O ATOM 702 CB VAL A 47 -2.307 1.135 -0.411 1.00 0.00 C ATOM 703 CG1 VAL A 47 -2.905 0.220 0.645 1.00 0.00 C ATOM 704 CG2 VAL A 47 -2.745 2.579 -0.190 1.00 0.00 C ATOM 0 H VAL A 47 -0.677 1.963 -2.283 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.379 1.339 0.556 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.676 0.813 -1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.991 0.309 0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.623 -0.812 0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.530 0.505 1.628 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.834 2.633 -0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.365 2.932 0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.350 3.206 -0.990 1.00 0.00 H new ATOM 714 N SER A 48 0.306 -1.010 0.339 1.00 0.00 N ATOM 715 CA SER A 48 0.741 -2.404 0.281 1.00 0.00 C ATOM 716 C SER A 48 -0.320 -3.293 0.924 1.00 0.00 C ATOM 717 O SER A 48 -0.583 -3.173 2.123 1.00 0.00 O ATOM 718 CB SER A 48 2.089 -2.568 1.005 1.00 0.00 C ATOM 719 OG SER A 48 2.468 -1.364 1.648 1.00 0.00 O ATOM 0 H SER A 48 0.564 -0.531 1.202 1.00 0.00 H new ATOM 0 HA SER A 48 0.872 -2.700 -0.760 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.016 -3.370 1.740 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.857 -2.860 0.289 1.00 0.00 H new ATOM 0 HG SER A 48 3.127 -0.893 1.097 1.00 0.00 H new ATOM 725 N VAL A 49 -0.948 -4.160 0.122 1.00 0.00 N ATOM 726 CA VAL A 49 -1.997 -5.041 0.625 1.00 0.00 C ATOM 727 C VAL A 49 -1.687 -6.514 0.399 1.00 0.00 C ATOM 728 O VAL A 49 -1.059 -6.892 -0.593 1.00 0.00 O ATOM 729 CB VAL A 49 -3.355 -4.710 -0.007 1.00 0.00 C ATOM 730 CG1 VAL A 49 -4.488 -5.000 0.969 1.00 0.00 C ATOM 731 CG2 VAL A 49 -3.373 -3.256 -0.457 1.00 0.00 C ATOM 0 H VAL A 49 -0.747 -4.267 -0.872 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.041 -4.865 1.700 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.505 -5.344 -0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.442 -4.758 0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.474 -6.056 1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.360 -4.394 1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.340 -3.026 -0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.208 -2.607 0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.584 -3.093 -1.191 1.00 0.00 H new ATOM 741 N PHE A 50 -2.154 -7.343 1.327 1.00 0.00 N ATOM 742 CA PHE A 50 -1.954 -8.782 1.248 1.00 0.00 C ATOM 743 C PHE A 50 -3.282 -9.514 1.354 1.00 0.00 C ATOM 744 O PHE A 50 -4.024 -9.338 2.327 1.00 0.00 O ATOM 745 CB PHE A 50 -1.009 -9.264 2.347 1.00 0.00 C ATOM 746 CG PHE A 50 -1.029 -10.753 2.541 1.00 0.00 C ATOM 747 CD1 PHE A 50 -2.191 -11.402 2.924 1.00 0.00 C ATOM 748 CD2 PHE A 50 0.118 -11.506 2.342 1.00 0.00 C ATOM 749 CE1 PHE A 50 -2.210 -12.771 3.104 1.00 0.00 C ATOM 750 CE2 PHE A 50 0.105 -12.876 2.519 1.00 0.00 C ATOM 751 CZ PHE A 50 -1.061 -13.509 2.902 1.00 0.00 C ATOM 0 H PHE A 50 -2.677 -7.038 2.148 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.504 -9.002 0.280 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.007 -8.950 2.106 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.278 -8.779 3.285 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.093 -10.830 3.084 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.033 -11.015 2.045 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.123 -13.264 3.403 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.005 -13.451 2.358 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.074 -14.580 3.043 1.00 0.00 H new ATOM 761 N THR A 51 -3.567 -10.333 0.346 1.00 0.00 N ATOM 762 CA THR A 51 -4.802 -11.102 0.296 1.00 0.00 C ATOM 763 C THR A 51 -4.557 -12.560 0.671 1.00 0.00 C ATOM 764 O THR A 51 -3.553 -13.153 0.278 1.00 0.00 O ATOM 765 CB THR A 51 -5.415 -11.024 -1.102 1.00 0.00 C ATOM 766 OG1 THR A 51 -6.825 -10.909 -1.025 1.00 0.00 O ATOM 767 CG2 THR A 51 -5.099 -12.226 -1.963 1.00 0.00 C ATOM 0 H THR A 51 -2.951 -10.481 -0.454 1.00 0.00 H new ATOM 0 HA THR A 51 -5.495 -10.673 1.019 1.00 0.00 H new ATOM 0 HB THR A 51 -4.971 -10.142 -1.563 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.066 -10.347 -0.259 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.565 -12.105 -2.941 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.019 -12.314 -2.083 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.485 -13.127 -1.486 1.00 0.00 H new ATOM 775 N LYS A 52 -5.486 -13.135 1.429 1.00 0.00 N ATOM 776 CA LYS A 52 -5.373 -14.527 1.850 1.00 0.00 C ATOM 777 C LYS A 52 -5.903 -15.462 0.765 1.00 0.00 C ATOM 778 O LYS A 52 -7.096 -15.461 0.462 1.00 0.00 O ATOM 779 CB LYS A 52 -6.140 -14.752 3.154 1.00 0.00 C ATOM 780 CG LYS A 52 -7.622 -15.023 2.949 1.00 0.00 C ATOM 781 CD LYS A 52 -8.322 -15.317 4.265 1.00 0.00 C ATOM 782 CE LYS A 52 -8.508 -16.811 4.475 1.00 0.00 C ATOM 783 NZ LYS A 52 -9.945 -17.203 4.434 1.00 0.00 N ATOM 0 H LYS A 52 -6.324 -12.659 1.764 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.319 -14.749 2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.696 -15.593 3.687 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.024 -13.874 3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.088 -14.160 2.473 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.748 -15.868 2.272 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.740 -14.902 5.088 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.293 -14.823 4.280 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.961 -17.357 3.706 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.080 -17.099 5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.029 -18.229 4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.463 -16.702 5.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.347 -16.952 3.508 1.00 0.00 H new ATOM 797 N ALA A 53 -5.008 -16.254 0.183 1.00 0.00 N ATOM 798 CA ALA A 53 -5.383 -17.186 -0.866 1.00 0.00 C ATOM 799 C ALA A 53 -5.413 -18.622 -0.355 1.00 0.00 C ATOM 800 O ALA A 53 -4.569 -19.025 0.445 1.00 0.00 O ATOM 801 CB ALA A 53 -4.432 -17.068 -2.047 1.00 0.00 C ATOM 0 H ALA A 53 -4.017 -16.266 0.423 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.390 -16.926 -1.193 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.727 -17.773 -2.824 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.469 -16.054 -2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.417 -17.292 -1.720 1.00 0.00 H new ATOM 807 N ILE A 54 -6.389 -19.389 -0.830 1.00 0.00 N ATOM 808 CA ILE A 54 -6.529 -20.783 -0.431 1.00 0.00 C ATOM 809 C ILE A 54 -5.560 -21.668 -1.206 1.00 0.00 C ATOM 810 O ILE A 54 -4.942 -22.572 -0.646 1.00 0.00 O ATOM 811 CB ILE A 54 -7.964 -21.288 -0.668 1.00 0.00 C ATOM 812 CG1 ILE A 54 -8.415 -22.175 0.494 1.00 0.00 C ATOM 813 CG2 ILE A 54 -8.046 -22.046 -1.984 1.00 0.00 C ATOM 814 CD1 ILE A 54 -9.861 -22.609 0.398 1.00 0.00 C ATOM 0 H ILE A 54 -7.095 -19.067 -1.492 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.301 -20.838 0.634 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.632 -20.429 -0.723 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.780 -23.060 0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.267 -21.636 1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.066 -22.397 -2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.762 -21.385 -2.803 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.369 -22.900 -1.955 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.111 -23.235 1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.505 -21.730 0.391 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.011 -23.176 -0.521 1.00 0.00 H new ATOM 826 N ILE A 55 -5.440 -21.400 -2.502 1.00 0.00 N ATOM 827 CA ILE A 55 -4.552 -22.167 -3.369 1.00 0.00 C ATOM 828 C ILE A 55 -3.294 -22.610 -2.628 1.00 0.00 C ATOM 829 O ILE A 55 -3.012 -22.140 -1.525 1.00 0.00 O ATOM 830 CB ILE A 55 -4.140 -21.353 -4.609 1.00 0.00 C ATOM 831 CG1 ILE A 55 -3.529 -22.271 -5.670 1.00 0.00 C ATOM 832 CG2 ILE A 55 -3.162 -20.255 -4.223 1.00 0.00 C ATOM 833 CD1 ILE A 55 -4.370 -23.492 -5.969 1.00 0.00 C ATOM 0 H ILE A 55 -5.949 -20.654 -2.977 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.110 -23.048 -3.686 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.031 -20.886 -5.030 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.386 -21.704 -6.590 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.542 -22.592 -5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.881 -19.689 -5.111 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.631 -19.587 -3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.271 -20.700 -3.780 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.876 -24.097 -6.730 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.492 -24.081 -5.060 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.349 -23.179 -6.333 1.00 0.00 H new ATOM 845 N SER A 56 -2.544 -23.516 -3.245 1.00 0.00 N ATOM 846 CA SER A 56 -1.314 -24.029 -2.652 1.00 0.00 C ATOM 847 C SER A 56 -0.154 -23.066 -2.880 1.00 0.00 C ATOM 848 O SER A 56 0.810 -23.047 -2.114 1.00 0.00 O ATOM 849 CB SER A 56 -0.974 -25.400 -3.239 1.00 0.00 C ATOM 850 OG SER A 56 -1.959 -26.360 -2.897 1.00 0.00 O ATOM 0 H SER A 56 -2.767 -23.912 -4.158 1.00 0.00 H new ATOM 0 HA SER A 56 -1.474 -24.128 -1.578 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.896 -25.325 -4.324 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.001 -25.726 -2.871 1.00 0.00 H new ATOM 0 HG SER A 56 -1.719 -27.227 -3.286 1.00 0.00 H new ATOM 856 N GLU A 57 -0.250 -22.268 -3.939 1.00 0.00 N ATOM 857 CA GLU A 57 0.795 -21.306 -4.269 1.00 0.00 C ATOM 858 C GLU A 57 0.969 -20.284 -3.150 1.00 0.00 C ATOM 859 O GLU A 57 1.976 -19.579 -3.091 1.00 0.00 O ATOM 860 CB GLU A 57 0.466 -20.591 -5.581 1.00 0.00 C ATOM 861 CG GLU A 57 0.274 -19.093 -5.425 1.00 0.00 C ATOM 862 CD GLU A 57 1.571 -18.368 -5.124 1.00 0.00 C ATOM 863 OE1 GLU A 57 2.645 -18.992 -5.253 1.00 0.00 O ATOM 864 OE2 GLU A 57 1.514 -17.173 -4.761 1.00 0.00 O ATOM 0 H GLU A 57 -1.041 -22.269 -4.583 1.00 0.00 H new ATOM 0 HA GLU A 57 1.731 -21.853 -4.386 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.268 -20.774 -6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.441 -21.023 -6.003 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.160 -18.689 -6.339 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.439 -18.903 -4.623 1.00 0.00 H new ATOM 871 N ASN A 58 -0.018 -20.213 -2.262 1.00 0.00 N ATOM 872 CA ASN A 58 0.030 -19.280 -1.141 1.00 0.00 C ATOM 873 C ASN A 58 -0.828 -18.049 -1.414 1.00 0.00 C ATOM 874 O ASN A 58 -1.237 -17.800 -2.548 1.00 0.00 O ATOM 875 CB ASN A 58 1.472 -18.856 -0.865 1.00 0.00 C ATOM 876 CG ASN A 58 2.411 -20.040 -0.740 1.00 0.00 C ATOM 877 OD1 ASN A 58 2.151 -20.901 0.236 1.00 0.00 O flip ATOM 878 ND2 ASN A 58 3.359 -20.178 -1.514 1.00 0.00 N flip ATOM 0 H ASN A 58 -0.859 -20.789 -2.297 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.368 -19.790 -0.264 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.817 -18.206 -1.669 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.506 -18.271 0.054 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.521 -19.491 -2.250 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.982 -20.980 -1.419 1.00 0.00 H new ATOM 885 N PRO A 59 -1.108 -17.264 -0.364 1.00 0.00 N ATOM 886 CA PRO A 59 -1.921 -16.047 -0.472 1.00 0.00 C ATOM 887 C PRO A 59 -1.355 -15.057 -1.485 1.00 0.00 C ATOM 888 O PRO A 59 -0.174 -15.111 -1.827 1.00 0.00 O ATOM 889 CB PRO A 59 -1.873 -15.454 0.939 1.00 0.00 C ATOM 890 CG PRO A 59 -1.539 -16.603 1.827 1.00 0.00 C ATOM 891 CD PRO A 59 -0.653 -17.503 1.015 1.00 0.00 C ATOM 0 HA PRO A 59 -2.930 -16.265 -0.821 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.122 -14.667 1.012 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.829 -15.008 1.213 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.031 -16.265 2.730 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -2.441 -17.126 2.146 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.400 -17.252 1.141 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.768 -18.548 1.302 1.00 0.00 H new ATOM 899 N CYS A 60 -2.207 -14.152 -1.956 1.00 0.00 N ATOM 900 CA CYS A 60 -1.793 -13.148 -2.930 1.00 0.00 C ATOM 901 C CYS A 60 -1.838 -11.750 -2.320 1.00 0.00 C ATOM 902 O CYS A 60 -2.906 -11.247 -1.972 1.00 0.00 O ATOM 903 CB CYS A 60 -2.689 -13.207 -4.168 1.00 0.00 C ATOM 904 SG CYS A 60 -2.261 -14.530 -5.324 1.00 0.00 S ATOM 0 H CYS A 60 -3.187 -14.093 -1.680 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.766 -13.364 -3.225 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.723 -13.338 -3.849 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.634 -12.251 -4.689 1.00 0.00 H new ATOM 0 HG CYS A 60 -3.075 -14.501 -6.337 1.00 0.00 H new ATOM 910 N ILE A 61 -0.670 -11.131 -2.195 1.00 0.00 N ATOM 911 CA ILE A 61 -0.569 -9.791 -1.631 1.00 0.00 C ATOM 912 C ILE A 61 -0.193 -8.777 -2.705 1.00 0.00 C ATOM 913 O ILE A 61 0.666 -9.046 -3.546 1.00 0.00 O ATOM 914 CB ILE A 61 0.473 -9.747 -0.498 1.00 0.00 C ATOM 915 CG1 ILE A 61 1.358 -8.507 -0.632 1.00 0.00 C ATOM 916 CG2 ILE A 61 1.320 -11.009 -0.510 1.00 0.00 C ATOM 917 CD1 ILE A 61 2.494 -8.481 0.364 1.00 0.00 C ATOM 0 H ILE A 61 0.222 -11.537 -2.477 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.546 -9.533 -1.224 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.053 -9.692 0.455 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.767 -8.467 -1.642 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.746 -7.615 -0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.052 -10.964 0.296 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.679 -11.879 -0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.838 -11.091 -1.466 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.085 -7.577 0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.090 -8.491 1.377 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.127 -9.356 0.217 1.00 0.00 H new ATOM 929 N LYS A 62 -0.842 -7.615 -2.686 1.00 0.00 N ATOM 930 CA LYS A 62 -0.560 -6.584 -3.679 1.00 0.00 C ATOM 931 C LYS A 62 -0.641 -5.176 -3.091 1.00 0.00 C ATOM 932 O LYS A 62 -1.291 -4.939 -2.072 1.00 0.00 O ATOM 933 CB LYS A 62 -1.521 -6.711 -4.863 1.00 0.00 C ATOM 934 CG LYS A 62 -2.976 -6.470 -4.500 1.00 0.00 C ATOM 935 CD LYS A 62 -3.524 -5.237 -5.199 1.00 0.00 C ATOM 936 CE LYS A 62 -4.987 -5.000 -4.855 1.00 0.00 C ATOM 937 NZ LYS A 62 -5.306 -5.386 -3.451 1.00 0.00 N ATOM 0 H LYS A 62 -1.558 -7.366 -2.003 1.00 0.00 H new ATOM 0 HA LYS A 62 0.464 -6.738 -4.020 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.227 -6.001 -5.636 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.424 -7.708 -5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.571 -7.341 -4.776 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.068 -6.350 -3.421 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.937 -4.365 -4.912 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.418 -5.352 -6.278 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.227 -3.947 -5.004 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.616 -5.570 -5.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.292 -5.713 -3.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.670 -6.151 -3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.179 -4.563 -2.827 1.00 0.00 H new ATOM 951 N HIS A 63 0.032 -4.247 -3.762 1.00 0.00 N ATOM 952 CA HIS A 63 0.061 -2.847 -3.355 1.00 0.00 C ATOM 953 C HIS A 63 -0.506 -1.960 -4.462 1.00 0.00 C ATOM 954 O HIS A 63 -0.465 -2.325 -5.637 1.00 0.00 O ATOM 955 CB HIS A 63 1.495 -2.423 -3.038 1.00 0.00 C ATOM 956 CG HIS A 63 2.509 -3.027 -3.959 1.00 0.00 C ATOM 957 ND1 HIS A 63 3.098 -4.253 -3.753 1.00 0.00 N ATOM 958 CD2 HIS A 63 3.034 -2.549 -5.116 1.00 0.00 C ATOM 959 CE1 HIS A 63 3.946 -4.479 -4.765 1.00 0.00 C ATOM 960 NE2 HIS A 63 3.944 -3.475 -5.621 1.00 0.00 N ATOM 0 H HIS A 63 0.573 -4.444 -4.604 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.553 -2.733 -2.462 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.566 -1.337 -3.093 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.732 -2.706 -2.012 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.786 -1.602 -5.572 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.552 -5.367 -4.867 1.00 0.00 H new ATOM 0 HE2 HIS A 63 4.495 -3.394 -6.476 1.00 0.00 H new ATOM 968 N TYR A 64 -1.012 -0.786 -4.094 1.00 0.00 N ATOM 969 CA TYR A 64 -1.555 0.144 -5.082 1.00 0.00 C ATOM 970 C TYR A 64 -1.188 1.582 -4.743 1.00 0.00 C ATOM 971 O TYR A 64 -1.343 2.021 -3.603 1.00 0.00 O ATOM 972 CB TYR A 64 -3.079 0.028 -5.204 1.00 0.00 C ATOM 973 CG TYR A 64 -3.720 -0.932 -4.233 1.00 0.00 C ATOM 974 CD1 TYR A 64 -3.361 -2.270 -4.215 1.00 0.00 C ATOM 975 CD2 TYR A 64 -4.699 -0.500 -3.344 1.00 0.00 C ATOM 976 CE1 TYR A 64 -3.957 -3.155 -3.338 1.00 0.00 C ATOM 977 CE2 TYR A 64 -5.296 -1.375 -2.463 1.00 0.00 C ATOM 978 CZ TYR A 64 -4.924 -2.703 -2.464 1.00 0.00 C ATOM 979 OH TYR A 64 -5.523 -3.583 -1.592 1.00 0.00 O ATOM 0 H TYR A 64 -1.058 -0.458 -3.129 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.110 -0.128 -6.039 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.517 1.016 -5.060 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -3.325 -0.285 -6.219 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -2.603 -2.626 -4.897 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.996 0.538 -3.344 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.668 -4.195 -3.336 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.051 -1.023 -1.776 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.429 -3.787 -1.904 1.00 0.00 H new ATOM 989 N HIS A 65 -0.717 2.318 -5.745 1.00 0.00 N ATOM 990 CA HIS A 65 -0.353 3.713 -5.552 1.00 0.00 C ATOM 991 C HIS A 65 -1.594 4.585 -5.650 1.00 0.00 C ATOM 992 O HIS A 65 -2.257 4.624 -6.686 1.00 0.00 O ATOM 993 CB HIS A 65 0.686 4.158 -6.581 1.00 0.00 C ATOM 994 CG HIS A 65 1.634 5.186 -6.045 1.00 0.00 C ATOM 995 ND1 HIS A 65 2.186 5.298 -4.811 1.00 0.00 N flip ATOM 996 CD2 HIS A 65 2.115 6.252 -6.773 1.00 0.00 C flip ATOM 997 CE1 HIS A 65 3.001 6.423 -4.774 1.00 0.00 C flip ATOM 998 NE2 HIS A 65 2.925 6.960 -5.976 1.00 0.00 N flip ATOM 0 H HIS A 65 -0.580 1.971 -6.694 1.00 0.00 H new ATOM 0 HA HIS A 65 0.088 3.820 -4.561 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.252 3.289 -6.917 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.175 4.563 -7.454 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.881 6.477 -7.803 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.577 6.783 -3.935 1.00 0.00 H new ATOM 0 HE2 HIS A 65 3.419 7.805 -6.262 1.00 0.00 H new ATOM 1006 N ILE A 66 -1.913 5.271 -4.564 1.00 0.00 N ATOM 1007 CA ILE A 66 -3.090 6.128 -4.533 1.00 0.00 C ATOM 1008 C ILE A 66 -2.958 7.292 -5.504 1.00 0.00 C ATOM 1009 O ILE A 66 -2.064 8.127 -5.377 1.00 0.00 O ATOM 1010 CB ILE A 66 -3.366 6.681 -3.123 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -3.555 5.541 -2.117 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -4.593 7.572 -3.157 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -3.492 4.158 -2.735 1.00 0.00 C ATOM 0 H ILE A 66 -1.377 5.252 -3.696 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.929 5.500 -4.834 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.507 7.270 -2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.788 5.619 -1.346 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.518 5.663 -1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.787 7.963 -2.158 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.422 8.401 -3.844 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.453 6.994 -3.494 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.635 3.406 -1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.277 4.059 -3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.520 4.014 -3.206 1.00 0.00 H new ATOM 1025 N LYS A 67 -3.863 7.342 -6.474 1.00 0.00 N ATOM 1026 CA LYS A 67 -3.860 8.403 -7.468 1.00 0.00 C ATOM 1027 C LYS A 67 -4.623 9.619 -6.954 1.00 0.00 C ATOM 1028 O LYS A 67 -5.762 9.503 -6.504 1.00 0.00 O ATOM 1029 CB LYS A 67 -4.480 7.905 -8.775 1.00 0.00 C ATOM 1030 CG LYS A 67 -4.107 6.473 -9.119 1.00 0.00 C ATOM 1031 CD LYS A 67 -2.898 6.419 -10.038 1.00 0.00 C ATOM 1032 CE LYS A 67 -2.811 5.085 -10.762 1.00 0.00 C ATOM 1033 NZ LYS A 67 -4.115 4.690 -11.361 1.00 0.00 N ATOM 0 H LYS A 67 -4.610 6.657 -6.592 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.827 8.696 -7.657 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.565 7.982 -8.705 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.166 8.559 -9.589 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.895 5.921 -8.203 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.953 5.981 -9.599 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.957 7.227 -10.767 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.990 6.579 -9.457 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.056 5.146 -11.546 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.484 4.314 -10.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.966 3.912 -12.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.762 4.377 -10.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.530 5.504 -11.858 1.00 0.00 H new ATOM 1047 N GLU A 68 -3.985 10.781 -7.016 1.00 0.00 N ATOM 1048 CA GLU A 68 -4.597 12.018 -6.548 1.00 0.00 C ATOM 1049 C GLU A 68 -5.218 12.793 -7.707 1.00 0.00 C ATOM 1050 O GLU A 68 -4.858 12.588 -8.865 1.00 0.00 O ATOM 1051 CB GLU A 68 -3.559 12.887 -5.838 1.00 0.00 C ATOM 1052 CG GLU A 68 -3.208 12.399 -4.443 1.00 0.00 C ATOM 1053 CD GLU A 68 -3.644 10.967 -4.200 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -4.790 10.766 -3.743 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -2.842 10.049 -4.466 1.00 0.00 O ATOM 0 H GLU A 68 -3.041 10.893 -7.387 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.388 11.758 -5.844 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.652 12.920 -6.441 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.936 13.908 -5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.131 12.477 -4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.679 13.049 -3.705 1.00 0.00 H new ATOM 1062 N THR A 69 -6.147 13.687 -7.384 1.00 0.00 N ATOM 1063 CA THR A 69 -6.810 14.495 -8.395 1.00 0.00 C ATOM 1064 C THR A 69 -7.082 15.903 -7.877 1.00 0.00 C ATOM 1065 O THR A 69 -6.618 16.282 -6.803 1.00 0.00 O ATOM 1066 CB THR A 69 -8.117 13.837 -8.835 1.00 0.00 C ATOM 1067 OG1 THR A 69 -9.227 14.647 -8.489 1.00 0.00 O ATOM 1068 CG2 THR A 69 -8.336 12.471 -8.226 1.00 0.00 C ATOM 0 H THR A 69 -6.456 13.868 -6.429 1.00 0.00 H new ATOM 0 HA THR A 69 -6.145 14.567 -9.255 1.00 0.00 H new ATOM 0 HB THR A 69 -8.033 13.723 -9.916 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.992 14.076 -8.267 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.282 12.062 -8.581 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.522 11.808 -8.518 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.363 12.557 -7.140 1.00 0.00 H new ATOM 1076 N ASN A 70 -7.837 16.674 -8.653 1.00 0.00 N ATOM 1077 CA ASN A 70 -8.172 18.042 -8.280 1.00 0.00 C ATOM 1078 C ASN A 70 -9.683 18.231 -8.201 1.00 0.00 C ATOM 1079 O ASN A 70 -10.218 19.219 -8.701 1.00 0.00 O ATOM 1080 CB ASN A 70 -7.576 19.028 -9.285 1.00 0.00 C ATOM 1081 CG ASN A 70 -8.508 19.303 -10.448 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -9.238 20.410 -10.373 1.00 0.00 O flip ATOM 1083 ND2 ASN A 70 -8.572 18.529 -11.404 1.00 0.00 N flip ATOM 0 H ASN A 70 -8.229 16.373 -9.545 1.00 0.00 H new ATOM 0 HA ASN A 70 -7.748 18.236 -7.295 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -7.346 19.965 -8.778 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.634 18.631 -9.664 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.993 17.690 -11.420 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.204 18.727 -12.179 1.00 0.00 H new ATOM 1090 N ASP A 71 -10.366 17.282 -7.573 1.00 0.00 N ATOM 1091 CA ASP A 71 -11.814 17.358 -7.439 1.00 0.00 C ATOM 1092 C ASP A 71 -12.303 16.637 -6.188 1.00 0.00 C ATOM 1093 O ASP A 71 -12.122 15.427 -6.048 1.00 0.00 O ATOM 1094 CB ASP A 71 -12.486 16.754 -8.671 1.00 0.00 C ATOM 1095 CG ASP A 71 -11.981 17.365 -9.965 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -12.410 18.492 -10.296 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -11.159 16.717 -10.645 1.00 0.00 O ATOM 0 H ASP A 71 -9.943 16.455 -7.151 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.081 18.411 -7.350 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.309 15.679 -8.687 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.564 16.899 -8.601 1.00 0.00 H new ATOM 1102 N SER A 72 -12.945 17.379 -5.287 1.00 0.00 N ATOM 1103 CA SER A 72 -13.477 16.791 -4.066 1.00 0.00 C ATOM 1104 C SER A 72 -14.782 16.048 -4.344 1.00 0.00 C ATOM 1105 O SER A 72 -15.682 16.580 -4.994 1.00 0.00 O ATOM 1106 CB SER A 72 -13.709 17.875 -3.012 1.00 0.00 C ATOM 1107 OG SER A 72 -12.539 18.647 -2.808 1.00 0.00 O ATOM 0 H SER A 72 -13.107 18.382 -5.381 1.00 0.00 H new ATOM 0 HA SER A 72 -12.746 16.077 -3.688 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.526 18.524 -3.327 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.012 17.414 -2.072 1.00 0.00 H new ATOM 0 HG SER A 72 -12.714 19.334 -2.131 1.00 0.00 H new ATOM 1113 N PRO A 73 -14.901 14.805 -3.855 1.00 0.00 N ATOM 1114 CA PRO A 73 -13.857 14.145 -3.084 1.00 0.00 C ATOM 1115 C PRO A 73 -12.915 13.337 -3.968 1.00 0.00 C ATOM 1116 O PRO A 73 -11.893 12.830 -3.506 1.00 0.00 O ATOM 1117 CB PRO A 73 -14.666 13.223 -2.180 1.00 0.00 C ATOM 1118 CG PRO A 73 -15.850 12.829 -3.006 1.00 0.00 C ATOM 1119 CD PRO A 73 -16.077 13.935 -4.015 1.00 0.00 C ATOM 0 HA PRO A 73 -13.211 14.845 -2.554 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -14.084 12.351 -1.880 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.972 13.732 -1.266 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -15.669 11.879 -3.510 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -16.730 12.694 -2.378 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -16.149 13.542 -5.029 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -17.003 14.474 -3.816 1.00 0.00 H new ATOM 1127 N LYS A 74 -13.274 13.215 -5.241 1.00 0.00 N ATOM 1128 CA LYS A 74 -12.470 12.462 -6.195 1.00 0.00 C ATOM 1129 C LYS A 74 -11.042 12.991 -6.256 1.00 0.00 C ATOM 1130 O LYS A 74 -10.594 13.480 -7.292 1.00 0.00 O ATOM 1131 CB LYS A 74 -13.105 12.515 -7.586 1.00 0.00 C ATOM 1132 CG LYS A 74 -13.809 13.827 -7.885 1.00 0.00 C ATOM 1133 CD LYS A 74 -15.277 13.610 -8.212 1.00 0.00 C ATOM 1134 CE LYS A 74 -15.993 12.870 -7.094 1.00 0.00 C ATOM 1135 NZ LYS A 74 -16.657 11.632 -7.583 1.00 0.00 N ATOM 0 H LYS A 74 -14.118 13.629 -5.636 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.436 11.427 -5.856 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.331 12.349 -8.336 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.821 11.699 -7.680 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -13.721 14.492 -7.026 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.318 14.322 -8.723 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.760 14.573 -8.380 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -15.365 13.044 -9.139 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.278 12.614 -6.312 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -16.737 13.527 -6.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -17.134 11.157 -6.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -17.358 11.878 -8.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.944 10.994 -7.991 1.00 0.00 H new ATOM 1149 N ARG A 75 -10.330 12.884 -5.139 1.00 0.00 N ATOM 1150 CA ARG A 75 -8.950 13.343 -5.063 1.00 0.00 C ATOM 1151 C ARG A 75 -7.981 12.167 -5.157 1.00 0.00 C ATOM 1152 O ARG A 75 -7.161 12.104 -6.072 1.00 0.00 O ATOM 1153 CB ARG A 75 -8.719 14.125 -3.769 1.00 0.00 C ATOM 1154 CG ARG A 75 -8.409 15.594 -4.001 1.00 0.00 C ATOM 1155 CD ARG A 75 -8.771 16.437 -2.791 1.00 0.00 C ATOM 1156 NE ARG A 75 -10.151 16.220 -2.368 1.00 0.00 N ATOM 1157 CZ ARG A 75 -10.882 17.143 -1.750 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -10.369 18.338 -1.496 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -12.128 16.871 -1.382 1.00 0.00 N ATOM 0 H ARG A 75 -10.688 12.482 -4.273 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.763 14.006 -5.908 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.605 14.043 -3.140 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -7.895 13.669 -3.220 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.349 15.712 -4.224 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.960 15.950 -4.872 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.097 16.198 -1.968 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.625 17.491 -3.027 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.577 15.313 -2.556 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.411 18.552 -1.775 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.932 19.044 -1.022 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.527 15.952 -1.573 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.686 17.581 -0.908 1.00 0.00 H new ATOM 1173 N TYR A 76 -8.082 11.234 -4.212 1.00 0.00 N ATOM 1174 CA TYR A 76 -7.213 10.061 -4.202 1.00 0.00 C ATOM 1175 C TYR A 76 -7.937 8.850 -4.758 1.00 0.00 C ATOM 1176 O TYR A 76 -9.102 8.611 -4.440 1.00 0.00 O ATOM 1177 CB TYR A 76 -6.733 9.721 -2.788 1.00 0.00 C ATOM 1178 CG TYR A 76 -6.396 10.910 -1.930 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -6.712 12.192 -2.334 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -5.768 10.738 -0.705 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -6.415 13.284 -1.543 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -5.467 11.819 0.098 1.00 0.00 C ATOM 1183 CZ TYR A 76 -5.793 13.092 -0.325 1.00 0.00 C ATOM 1184 OH TYR A 76 -5.496 14.177 0.469 1.00 0.00 O ATOM 0 H TYR A 76 -8.755 11.268 -3.446 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.353 10.307 -4.825 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.506 9.138 -2.288 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.852 9.084 -2.863 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.200 12.343 -3.285 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.511 9.742 -0.375 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.667 14.281 -1.874 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.980 11.670 1.050 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.061 13.871 1.292 1.00 0.00 H new ATOM 1194 N TYR A 77 -7.239 8.076 -5.568 1.00 0.00 N ATOM 1195 CA TYR A 77 -7.826 6.874 -6.139 1.00 0.00 C ATOM 1196 C TYR A 77 -6.776 5.862 -6.562 1.00 0.00 C ATOM 1197 O TYR A 77 -5.787 6.199 -7.212 1.00 0.00 O ATOM 1198 CB TYR A 77 -8.697 7.211 -7.353 1.00 0.00 C ATOM 1199 CG TYR A 77 -7.937 7.817 -8.515 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -7.343 9.070 -8.398 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -7.816 7.144 -9.736 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -6.651 9.635 -9.454 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -7.124 7.707 -10.792 1.00 0.00 C ATOM 1204 CZ TYR A 77 -6.545 8.951 -10.647 1.00 0.00 C ATOM 1205 OH TYR A 77 -5.859 9.512 -11.697 1.00 0.00 O ATOM 0 H TYR A 77 -6.273 8.254 -5.845 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.437 6.433 -5.351 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.194 6.302 -7.693 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -9.479 7.905 -7.044 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.424 9.611 -7.467 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.270 6.171 -9.855 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.195 10.608 -9.345 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.037 7.175 -11.728 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.877 8.901 -12.463 1.00 0.00 H new ATOM 1215 N VAL A 78 -7.052 4.605 -6.250 1.00 0.00 N ATOM 1216 CA VAL A 78 -6.194 3.512 -6.655 1.00 0.00 C ATOM 1217 C VAL A 78 -7.041 2.580 -7.490 1.00 0.00 C ATOM 1218 O VAL A 78 -7.143 1.377 -7.245 1.00 0.00 O ATOM 1219 CB VAL A 78 -5.613 2.759 -5.449 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.112 2.967 -5.365 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -6.303 3.216 -4.173 1.00 0.00 C ATOM 0 H VAL A 78 -7.871 4.319 -5.713 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.344 3.898 -7.217 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.794 1.691 -5.575 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.717 2.426 -4.505 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.642 2.594 -6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.898 4.030 -5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.886 2.678 -3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.147 4.286 -4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.371 3.012 -4.244 1.00 0.00 H new ATOM 1231 N ALA A 79 -7.666 3.201 -8.473 1.00 0.00 N ATOM 1232 CA ALA A 79 -8.558 2.549 -9.407 1.00 0.00 C ATOM 1233 C ALA A 79 -9.148 3.625 -10.305 1.00 0.00 C ATOM 1234 O ALA A 79 -9.095 4.803 -9.965 1.00 0.00 O ATOM 1235 CB ALA A 79 -9.635 1.775 -8.670 1.00 0.00 C ATOM 0 H ALA A 79 -7.563 4.201 -8.646 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.018 1.822 -10.014 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.295 1.293 -9.391 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.171 1.017 -8.039 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.214 2.459 -8.049 1.00 0.00 H new ATOM 1241 N GLU A 80 -9.692 3.253 -11.444 1.00 0.00 N ATOM 1242 CA GLU A 80 -10.246 4.245 -12.348 1.00 0.00 C ATOM 1243 C GLU A 80 -11.709 4.549 -12.053 1.00 0.00 C ATOM 1244 O GLU A 80 -12.584 4.360 -12.897 1.00 0.00 O ATOM 1245 CB GLU A 80 -10.071 3.820 -13.800 1.00 0.00 C ATOM 1246 CG GLU A 80 -8.670 3.331 -14.134 1.00 0.00 C ATOM 1247 CD GLU A 80 -8.148 2.316 -13.134 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -7.580 2.734 -12.104 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -8.309 1.103 -13.383 1.00 0.00 O ATOM 0 H GLU A 80 -9.764 2.287 -11.765 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.686 5.165 -12.183 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.785 3.028 -14.025 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.315 4.663 -14.447 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.673 2.886 -15.129 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.991 4.183 -14.168 1.00 0.00 H new ATOM 1256 N LYS A 81 -11.950 5.053 -10.853 1.00 0.00 N ATOM 1257 CA LYS A 81 -13.291 5.431 -10.424 1.00 0.00 C ATOM 1258 C LYS A 81 -13.339 5.633 -8.912 1.00 0.00 C ATOM 1259 O LYS A 81 -14.227 6.309 -8.392 1.00 0.00 O ATOM 1260 CB LYS A 81 -14.325 4.395 -10.869 1.00 0.00 C ATOM 1261 CG LYS A 81 -13.814 2.967 -10.852 1.00 0.00 C ATOM 1262 CD LYS A 81 -14.521 2.155 -9.788 1.00 0.00 C ATOM 1263 CE LYS A 81 -14.438 2.842 -8.437 1.00 0.00 C ATOM 1264 NZ LYS A 81 -15.714 3.519 -8.076 1.00 0.00 N ATOM 0 H LYS A 81 -11.227 5.212 -10.151 1.00 0.00 H new ATOM 0 HA LYS A 81 -13.541 6.378 -10.902 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.198 4.466 -10.220 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -14.658 4.639 -11.878 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.970 2.509 -11.829 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.740 2.963 -10.665 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.566 2.016 -10.066 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.073 1.163 -9.724 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.188 2.107 -7.671 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.631 3.574 -8.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.534 4.528 -7.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.392 3.422 -8.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.109 3.081 -7.219 1.00 0.00 H new ATOM 1278 N TYR A 82 -12.367 5.054 -8.212 1.00 0.00 N ATOM 1279 CA TYR A 82 -12.283 5.186 -6.759 1.00 0.00 C ATOM 1280 C TYR A 82 -11.429 6.393 -6.385 1.00 0.00 C ATOM 1281 O TYR A 82 -10.264 6.243 -6.021 1.00 0.00 O ATOM 1282 CB TYR A 82 -11.671 3.929 -6.130 1.00 0.00 C ATOM 1283 CG TYR A 82 -12.201 2.627 -6.685 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -11.999 2.276 -8.013 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -12.893 1.739 -5.872 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -12.472 1.080 -8.515 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -13.372 0.541 -6.367 1.00 0.00 C ATOM 1288 CZ TYR A 82 -13.158 0.216 -7.688 1.00 0.00 C ATOM 1289 OH TYR A 82 -13.629 -0.978 -8.184 1.00 0.00 O ATOM 0 H TYR A 82 -11.626 4.489 -8.627 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.296 5.319 -6.379 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -10.591 3.957 -6.272 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -11.852 3.951 -5.055 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.463 2.950 -8.664 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.060 1.989 -4.835 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -12.305 0.822 -9.551 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.911 -0.137 -5.722 1.00 0.00 H new ATOM 0 HH TYR A 82 -14.088 -1.470 -7.472 1.00 0.00 H new ATOM 1299 N VAL A 83 -12.005 7.586 -6.476 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.282 8.806 -6.150 1.00 0.00 C ATOM 1301 C VAL A 83 -11.897 9.500 -4.945 1.00 0.00 C ATOM 1302 O VAL A 83 -13.090 9.800 -4.931 1.00 0.00 O ATOM 1303 CB VAL A 83 -11.262 9.776 -7.344 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -9.880 10.389 -7.510 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -11.694 9.066 -8.618 1.00 0.00 C ATOM 0 H VAL A 83 -12.970 7.733 -6.773 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.258 8.520 -5.911 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.971 10.580 -7.146 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.885 11.072 -8.359 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.614 10.936 -6.606 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.150 9.599 -7.684 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -11.673 9.769 -9.451 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -11.013 8.240 -8.823 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -12.706 8.680 -8.494 1.00 0.00 H new ATOM 1315 N PHE A 84 -11.076 9.744 -3.929 1.00 0.00 N ATOM 1316 CA PHE A 84 -11.550 10.393 -2.716 1.00 0.00 C ATOM 1317 C PHE A 84 -10.471 11.278 -2.095 1.00 0.00 C ATOM 1318 O PHE A 84 -9.277 11.059 -2.304 1.00 0.00 O ATOM 1319 CB PHE A 84 -12.005 9.341 -1.707 1.00 0.00 C ATOM 1320 CG PHE A 84 -12.348 8.018 -2.333 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -11.429 7.358 -3.134 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -13.585 7.435 -2.120 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -11.740 6.140 -3.711 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -13.903 6.218 -2.695 1.00 0.00 C ATOM 1325 CZ PHE A 84 -12.978 5.570 -3.490 1.00 0.00 C ATOM 0 H PHE A 84 -10.085 9.503 -3.923 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.392 11.030 -2.984 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.216 9.191 -0.970 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.876 9.717 -1.170 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.459 7.800 -3.309 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -14.311 7.937 -1.497 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -11.016 5.636 -4.333 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -14.873 5.775 -2.523 1.00 0.00 H new ATOM 0 HZ PHE A 84 -13.223 4.618 -3.938 1.00 0.00 H new ATOM 1335 N ASP A 85 -10.900 12.277 -1.329 1.00 0.00 N ATOM 1336 CA ASP A 85 -9.981 13.197 -0.671 1.00 0.00 C ATOM 1337 C ASP A 85 -9.409 12.584 0.601 1.00 0.00 C ATOM 1338 O ASP A 85 -8.897 13.294 1.468 1.00 0.00 O ATOM 1339 CB ASP A 85 -10.694 14.508 -0.334 1.00 0.00 C ATOM 1340 CG ASP A 85 -9.721 15.620 0.013 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -8.505 15.434 -0.204 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -10.177 16.675 0.500 1.00 0.00 O ATOM 0 H ASP A 85 -11.885 12.470 -1.149 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.160 13.398 -1.359 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.306 14.815 -1.182 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.371 14.346 0.505 1.00 0.00 H new ATOM 1347 N SER A 86 -9.502 11.266 0.712 1.00 0.00 N ATOM 1348 CA SER A 86 -9.002 10.561 1.879 1.00 0.00 C ATOM 1349 C SER A 86 -8.569 9.148 1.519 1.00 0.00 C ATOM 1350 O SER A 86 -9.401 8.271 1.281 1.00 0.00 O ATOM 1351 CB SER A 86 -10.072 10.517 2.970 1.00 0.00 C ATOM 1352 OG SER A 86 -10.072 11.708 3.737 1.00 0.00 O ATOM 0 H SER A 86 -9.921 10.663 0.004 1.00 0.00 H new ATOM 0 HA SER A 86 -8.133 11.102 2.253 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.052 10.374 2.516 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.895 9.662 3.622 1.00 0.00 H new ATOM 0 HG SER A 86 -9.637 12.424 3.229 1.00 0.00 H new ATOM 1358 N ILE A 87 -7.262 8.921 1.498 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.738 7.605 1.182 1.00 0.00 C ATOM 1360 C ILE A 87 -7.296 6.597 2.167 1.00 0.00 C ATOM 1361 O ILE A 87 -7.714 5.499 1.797 1.00 0.00 O ATOM 1362 CB ILE A 87 -5.200 7.585 1.245 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -4.615 7.185 -0.105 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.722 6.643 2.335 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -3.879 8.315 -0.784 1.00 0.00 C ATOM 0 H ILE A 87 -6.553 9.627 1.695 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.040 7.349 0.166 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.853 8.590 1.486 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.933 6.346 0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.418 6.839 -0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.632 6.643 2.364 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -5.110 6.974 3.298 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -5.080 5.635 2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.485 7.970 -1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -4.564 9.146 -0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -3.056 8.646 -0.151 1.00 0.00 H new ATOM 1377 N PRO A 88 -7.340 6.984 3.445 1.00 0.00 N ATOM 1378 CA PRO A 88 -7.884 6.143 4.508 1.00 0.00 C ATOM 1379 C PRO A 88 -9.344 5.831 4.236 1.00 0.00 C ATOM 1380 O PRO A 88 -9.775 4.678 4.307 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.734 7.005 5.765 1.00 0.00 C ATOM 1382 CG PRO A 88 -6.708 8.028 5.408 1.00 0.00 C ATOM 1383 CD PRO A 88 -6.891 8.288 3.946 1.00 0.00 C ATOM 0 HA PRO A 88 -7.378 5.182 4.597 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.680 7.473 6.039 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.415 6.407 6.619 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.845 8.940 5.989 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.702 7.665 5.619 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.629 9.069 3.762 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -5.963 8.607 3.471 1.00 0.00 H new ATOM 1391 N LEU A 89 -10.095 6.868 3.871 1.00 0.00 N ATOM 1392 CA LEU A 89 -11.496 6.698 3.531 1.00 0.00 C ATOM 1393 C LEU A 89 -11.563 5.803 2.322 1.00 0.00 C ATOM 1394 O LEU A 89 -12.282 4.801 2.296 1.00 0.00 O ATOM 1395 CB LEU A 89 -12.150 8.042 3.222 1.00 0.00 C ATOM 1396 CG LEU A 89 -13.024 8.069 1.964 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -12.171 8.262 0.718 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -13.847 6.793 1.855 1.00 0.00 C ATOM 0 H LEU A 89 -9.755 7.827 3.805 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.033 6.258 4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.761 8.335 4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.367 8.793 3.117 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.708 8.914 2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.812 8.278 -0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.630 9.205 0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.459 7.441 0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.461 6.832 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.179 5.933 1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.491 6.699 2.730 1.00 0.00 H new ATOM 1410 N LEU A 90 -10.755 6.153 1.339 1.00 0.00 N ATOM 1411 CA LEU A 90 -10.661 5.366 0.140 1.00 0.00 C ATOM 1412 C LEU A 90 -10.205 3.978 0.556 1.00 0.00 C ATOM 1413 O LEU A 90 -10.678 2.962 0.039 1.00 0.00 O ATOM 1414 CB LEU A 90 -9.696 6.026 -0.839 1.00 0.00 C ATOM 1415 CG LEU A 90 -8.756 5.084 -1.566 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.632 5.498 -3.024 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -7.399 5.086 -0.882 1.00 0.00 C ATOM 0 H LEU A 90 -10.157 6.979 1.354 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.619 5.292 -0.375 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.277 6.575 -1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -9.099 6.759 -0.296 1.00 0.00 H new ATOM 0 HG LEU A 90 -9.157 4.071 -1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.955 4.817 -3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.613 5.462 -3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.239 6.513 -3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.726 4.408 -1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.985 6.094 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.512 4.757 0.151 1.00 0.00 H new ATOM 1429 N ILE A 91 -9.335 3.950 1.572 1.00 0.00 N ATOM 1430 CA ILE A 91 -8.880 2.694 2.137 1.00 0.00 C ATOM 1431 C ILE A 91 -10.107 1.980 2.664 1.00 0.00 C ATOM 1432 O ILE A 91 -10.330 0.800 2.391 1.00 0.00 O ATOM 1433 CB ILE A 91 -7.899 2.899 3.317 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -6.457 2.580 2.913 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -8.311 2.024 4.491 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -6.327 1.963 1.544 1.00 0.00 C ATOM 0 H ILE A 91 -8.940 4.782 2.011 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.355 2.130 1.366 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.942 3.948 3.608 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.870 3.498 2.944 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.026 1.901 3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.616 2.173 5.318 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.318 2.294 4.810 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.294 0.977 4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.276 1.767 1.332 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.885 1.027 1.512 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.726 2.649 0.797 1.00 0.00 H new ATOM 1448 N GLN A 92 -10.922 2.737 3.402 1.00 0.00 N ATOM 1449 CA GLN A 92 -12.158 2.213 3.946 1.00 0.00 C ATOM 1450 C GLN A 92 -13.064 1.788 2.805 1.00 0.00 C ATOM 1451 O GLN A 92 -13.759 0.775 2.882 1.00 0.00 O ATOM 1452 CB GLN A 92 -12.853 3.262 4.814 1.00 0.00 C ATOM 1453 CG GLN A 92 -14.369 3.153 4.804 1.00 0.00 C ATOM 1454 CD GLN A 92 -15.033 4.176 5.705 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -15.850 3.830 6.560 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -14.685 5.444 5.520 1.00 0.00 N ATOM 0 H GLN A 92 -10.740 3.714 3.632 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.935 1.351 4.574 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -12.497 3.166 5.840 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.566 4.255 4.468 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.732 3.282 3.784 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -14.660 2.152 5.121 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.004 5.686 4.800 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.098 6.176 6.098 1.00 0.00 H new ATOM 1465 N TYR A 93 -13.032 2.574 1.734 1.00 0.00 N ATOM 1466 CA TYR A 93 -13.828 2.286 0.555 1.00 0.00 C ATOM 1467 C TYR A 93 -13.309 1.038 -0.132 1.00 0.00 C ATOM 1468 O TYR A 93 -14.078 0.217 -0.631 1.00 0.00 O ATOM 1469 CB TYR A 93 -13.809 3.463 -0.421 1.00 0.00 C ATOM 1470 CG TYR A 93 -14.603 3.201 -1.680 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -14.176 2.263 -2.614 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -15.788 3.884 -1.930 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -14.906 2.018 -3.761 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -16.523 3.642 -3.075 1.00 0.00 C ATOM 1475 CZ TYR A 93 -16.079 2.708 -3.985 1.00 0.00 C ATOM 1476 OH TYR A 93 -16.809 2.464 -5.127 1.00 0.00 O ATOM 0 H TYR A 93 -12.461 3.416 1.662 1.00 0.00 H new ATOM 0 HA TYR A 93 -14.857 2.121 0.873 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -14.209 4.347 0.077 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.777 3.688 -0.690 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.260 1.718 -2.440 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -16.140 4.616 -1.218 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.560 1.289 -4.479 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -17.441 4.182 -3.255 1.00 0.00 H new ATOM 0 HH TYR A 93 -17.608 3.032 -5.132 1.00 0.00 H new ATOM 1486 N HIS A 94 -11.990 0.904 -0.145 1.00 0.00 N ATOM 1487 CA HIS A 94 -11.344 -0.245 -0.764 1.00 0.00 C ATOM 1488 C HIS A 94 -11.754 -1.536 -0.068 1.00 0.00 C ATOM 1489 O HIS A 94 -11.285 -2.615 -0.423 1.00 0.00 O ATOM 1490 CB HIS A 94 -9.826 -0.085 -0.733 1.00 0.00 C ATOM 1491 CG HIS A 94 -9.309 0.826 -1.797 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -9.273 0.684 -3.142 1.00 0.00 N flip ATOM 1493 CD2 HIS A 94 -8.731 2.045 -1.524 1.00 0.00 C flip ATOM 1494 CE1 HIS A 94 -8.670 1.806 -3.653 1.00 0.00 C flip ATOM 1495 NE2 HIS A 94 -8.352 2.610 -2.657 1.00 0.00 N flip ATOM 0 H HIS A 94 -11.345 1.578 0.267 1.00 0.00 H new ATOM 0 HA HIS A 94 -11.668 -0.298 -1.803 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.527 0.300 0.242 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.361 -1.065 -0.845 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -9.628 -0.109 -3.677 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -8.607 2.472 -0.540 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -8.486 1.999 -4.700 1.00 0.00 H new ATOM 1504 N GLN A 95 -12.636 -1.420 0.919 1.00 0.00 N ATOM 1505 CA GLN A 95 -13.120 -2.582 1.655 1.00 0.00 C ATOM 1506 C GLN A 95 -14.602 -2.439 1.973 1.00 0.00 C ATOM 1507 O GLN A 95 -15.354 -3.412 1.938 1.00 0.00 O ATOM 1508 CB GLN A 95 -12.324 -2.776 2.944 1.00 0.00 C ATOM 1509 CG GLN A 95 -11.177 -1.793 3.108 1.00 0.00 C ATOM 1510 CD GLN A 95 -11.454 -0.769 4.187 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -12.731 -0.493 4.408 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 -10.537 -0.237 4.811 1.00 0.00 N flip ATOM 0 H GLN A 95 -13.031 -0.532 1.228 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.982 -3.460 1.025 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.998 -2.679 3.795 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.927 -3.791 2.966 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -10.265 -2.338 3.352 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.000 -1.282 2.161 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -9.569 -0.483 4.604 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.745 0.450 5.536 1.00 0.00 H new ATOM 1521 N TYR A 96 -15.012 -1.217 2.277 1.00 0.00 N ATOM 1522 CA TYR A 96 -16.403 -0.933 2.595 1.00 0.00 C ATOM 1523 C TYR A 96 -17.266 -1.016 1.339 1.00 0.00 C ATOM 1524 O TYR A 96 -18.494 -0.964 1.411 1.00 0.00 O ATOM 1525 CB TYR A 96 -16.533 0.453 3.229 1.00 0.00 C ATOM 1526 CG TYR A 96 -17.924 1.037 3.132 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -19.034 0.311 3.551 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -18.129 2.313 2.622 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -20.307 0.843 3.464 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -19.399 2.850 2.532 1.00 0.00 C ATOM 1531 CZ TYR A 96 -20.484 2.111 2.955 1.00 0.00 C ATOM 1532 OH TYR A 96 -21.749 2.643 2.867 1.00 0.00 O ATOM 0 H TYR A 96 -14.398 -0.403 2.310 1.00 0.00 H new ATOM 0 HA TYR A 96 -16.751 -1.680 3.309 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -16.247 0.391 4.279 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -15.829 1.131 2.746 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -18.899 -0.683 3.950 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -17.282 2.895 2.290 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -21.159 0.267 3.794 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -19.541 3.843 2.132 1.00 0.00 H new ATOM 0 HH TYR A 96 -21.699 3.545 2.487 1.00 0.00 H new ATOM 1542 N ASN A 97 -16.609 -1.149 0.192 1.00 0.00 N ATOM 1543 CA ASN A 97 -17.303 -1.244 -1.082 1.00 0.00 C ATOM 1544 C ASN A 97 -16.744 -2.393 -1.919 1.00 0.00 C ATOM 1545 O ASN A 97 -15.535 -2.617 -1.951 1.00 0.00 O ATOM 1546 CB ASN A 97 -17.183 0.072 -1.854 1.00 0.00 C ATOM 1547 CG ASN A 97 -17.919 1.209 -1.174 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -17.351 1.717 -0.087 1.00 0.00 O flip ATOM 1549 ND2 ASN A 97 -18.989 1.626 -1.620 1.00 0.00 N flip ATOM 0 H ASN A 97 -15.592 -1.193 0.121 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.356 -1.442 -0.881 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -16.130 0.335 -1.958 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.579 -0.063 -2.861 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -19.390 1.206 -2.459 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -19.474 2.391 -1.151 1.00 0.00 H new ATOM 1556 N GLY A 98 -17.636 -3.114 -2.591 1.00 0.00 N ATOM 1557 CA GLY A 98 -17.216 -4.232 -3.418 1.00 0.00 C ATOM 1558 C GLY A 98 -15.717 -4.268 -3.633 1.00 0.00 C ATOM 1559 O GLY A 98 -15.070 -5.282 -3.368 1.00 0.00 O ATOM 0 H GLY A 98 -18.642 -2.945 -2.578 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -17.535 -5.164 -2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.716 -4.172 -4.384 1.00 0.00 H new ATOM 1563 N GLY A 99 -15.163 -3.161 -4.114 1.00 0.00 N ATOM 1564 CA GLY A 99 -13.733 -3.091 -4.355 1.00 0.00 C ATOM 1565 C GLY A 99 -13.323 -3.815 -5.622 1.00 0.00 C ATOM 1566 O GLY A 99 -14.147 -4.460 -6.271 1.00 0.00 O ATOM 0 H GLY A 99 -15.678 -2.310 -4.342 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.430 -2.046 -4.423 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.203 -3.522 -3.506 1.00 0.00 H new ATOM 1570 N GLY A 100 -12.045 -3.708 -5.975 1.00 0.00 N ATOM 1571 CA GLY A 100 -11.551 -4.363 -7.171 1.00 0.00 C ATOM 1572 C GLY A 100 -10.106 -4.801 -7.041 1.00 0.00 C ATOM 1573 O GLY A 100 -9.491 -5.231 -8.017 1.00 0.00 O ATOM 0 H GLY A 100 -11.345 -3.180 -5.454 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -12.172 -5.232 -7.388 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -11.646 -3.684 -8.018 1.00 0.00 H new ATOM 1577 N LEU A 101 -9.559 -4.686 -5.835 1.00 0.00 N ATOM 1578 CA LEU A 101 -8.176 -5.067 -5.584 1.00 0.00 C ATOM 1579 C LEU A 101 -8.093 -6.195 -4.560 1.00 0.00 C ATOM 1580 O LEU A 101 -8.886 -6.252 -3.622 1.00 0.00 O ATOM 1581 CB LEU A 101 -7.387 -3.857 -5.088 1.00 0.00 C ATOM 1582 CG LEU A 101 -8.229 -2.617 -4.786 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -8.329 -2.391 -3.285 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -7.639 -1.394 -5.474 1.00 0.00 C ATOM 0 H LEU A 101 -10.054 -4.332 -5.016 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.746 -5.424 -6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.847 -4.140 -4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.640 -3.597 -5.838 1.00 0.00 H new ATOM 0 HG LEU A 101 -9.234 -2.779 -5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -8.932 -1.504 -3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.796 -3.258 -2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -7.331 -2.249 -2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -8.250 -0.520 -5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.623 -1.229 -5.115 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.621 -1.556 -6.552 1.00 0.00 H new ATOM 1596 N VAL A 102 -7.124 -7.086 -4.749 1.00 0.00 N ATOM 1597 CA VAL A 102 -6.925 -8.215 -3.843 1.00 0.00 C ATOM 1598 C VAL A 102 -7.865 -8.137 -2.644 1.00 0.00 C ATOM 1599 O VAL A 102 -7.724 -7.264 -1.788 1.00 0.00 O ATOM 1600 CB VAL A 102 -5.470 -8.278 -3.338 1.00 0.00 C ATOM 1601 CG1 VAL A 102 -5.406 -8.020 -1.840 1.00 0.00 C ATOM 1602 CG2 VAL A 102 -4.845 -9.621 -3.683 1.00 0.00 C ATOM 0 H VAL A 102 -6.462 -7.048 -5.524 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.146 -9.118 -4.412 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.899 -7.496 -3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.370 -8.069 -1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.810 -7.031 -1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.992 -8.774 -1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -3.818 -9.648 -3.319 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -5.418 -10.420 -3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.851 -9.758 -4.764 1.00 0.00 H new ATOM 1612 N THR A 103 -8.821 -9.057 -2.591 1.00 0.00 N ATOM 1613 CA THR A 103 -9.787 -9.099 -1.499 1.00 0.00 C ATOM 1614 C THR A 103 -9.937 -7.730 -0.844 1.00 0.00 C ATOM 1615 O THR A 103 -10.107 -7.627 0.371 1.00 0.00 O ATOM 1616 CB THR A 103 -9.366 -10.133 -0.453 1.00 0.00 C ATOM 1617 OG1 THR A 103 -8.170 -9.735 0.195 1.00 0.00 O ATOM 1618 CG2 THR A 103 -9.136 -11.511 -1.034 1.00 0.00 C ATOM 0 H THR A 103 -8.948 -9.786 -3.293 1.00 0.00 H new ATOM 0 HA THR A 103 -10.751 -9.387 -1.918 1.00 0.00 H new ATOM 0 HB THR A 103 -10.197 -10.186 0.251 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.327 -8.903 0.689 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.840 -12.196 -0.240 1.00 0.00 H new ATOM 0 HG22 THR A 103 -10.055 -11.868 -1.498 1.00 0.00 H new ATOM 0 HG23 THR A 103 -8.347 -11.463 -1.784 1.00 0.00 H new ATOM 1626 N ARG A 104 -9.884 -6.683 -1.658 1.00 0.00 N ATOM 1627 CA ARG A 104 -10.024 -5.320 -1.158 1.00 0.00 C ATOM 1628 C ARG A 104 -9.212 -5.121 0.122 1.00 0.00 C ATOM 1629 O ARG A 104 -8.622 -6.067 0.643 1.00 0.00 O ATOM 1630 CB ARG A 104 -11.502 -5.023 -0.899 1.00 0.00 C ATOM 1631 CG ARG A 104 -11.939 -5.296 0.531 1.00 0.00 C ATOM 1632 CD ARG A 104 -13.437 -5.544 0.616 1.00 0.00 C ATOM 1633 NE ARG A 104 -13.852 -5.921 1.964 1.00 0.00 N ATOM 1634 CZ ARG A 104 -14.784 -6.833 2.217 1.00 0.00 C ATOM 1635 NH1 ARG A 104 -15.394 -7.457 1.219 1.00 0.00 N ATOM 1636 NH2 ARG A 104 -15.108 -7.123 3.471 1.00 0.00 N ATOM 0 H ARG A 104 -9.745 -6.751 -2.666 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.640 -4.630 -1.909 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.701 -3.978 -1.137 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -12.108 -5.625 -1.576 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.403 -6.163 0.918 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.673 -4.448 1.163 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -13.972 -4.645 0.310 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -13.714 -6.333 -0.083 1.00 0.00 H new ATOM 0 HE ARG A 104 -13.402 -5.459 2.754 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -15.148 -7.237 0.254 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -16.109 -8.157 1.416 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -14.641 -6.645 4.242 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -15.824 -7.824 3.664 1.00 0.00 H new ATOM 1650 N LEU A 105 -9.188 -3.888 0.633 1.00 0.00 N ATOM 1651 CA LEU A 105 -8.451 -3.590 1.856 1.00 0.00 C ATOM 1652 C LEU A 105 -9.081 -4.331 3.031 1.00 0.00 C ATOM 1653 O LEU A 105 -10.283 -4.232 3.258 1.00 0.00 O ATOM 1654 CB LEU A 105 -8.442 -2.079 2.126 1.00 0.00 C ATOM 1655 CG LEU A 105 -7.382 -1.276 1.360 1.00 0.00 C ATOM 1656 CD1 LEU A 105 -6.116 -1.106 2.189 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -7.066 -1.944 0.031 1.00 0.00 C ATOM 0 H LEU A 105 -9.667 -3.088 0.220 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.420 -3.923 1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.425 -1.678 1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.292 -1.919 3.194 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.788 -0.284 1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.383 -0.533 1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.354 -0.577 3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.704 -2.086 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.313 -1.361 -0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.687 -2.950 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.972 -2.000 -0.572 1.00 0.00 H new ATOM 1669 N ARG A 106 -8.277 -5.092 3.764 1.00 0.00 N ATOM 1670 CA ARG A 106 -8.793 -5.854 4.891 1.00 0.00 C ATOM 1671 C ARG A 106 -8.078 -5.513 6.193 1.00 0.00 C ATOM 1672 O ARG A 106 -8.641 -4.853 7.066 1.00 0.00 O ATOM 1673 CB ARG A 106 -8.672 -7.353 4.612 1.00 0.00 C ATOM 1674 CG ARG A 106 -9.695 -8.194 5.357 1.00 0.00 C ATOM 1675 CD ARG A 106 -9.438 -9.680 5.167 1.00 0.00 C ATOM 1676 NE ARG A 106 -9.906 -10.156 3.869 1.00 0.00 N ATOM 1677 CZ ARG A 106 -11.127 -10.638 3.657 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -11.996 -10.706 4.656 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -11.478 -11.053 2.448 1.00 0.00 N ATOM 0 H ARG A 106 -7.276 -5.197 3.600 1.00 0.00 H new ATOM 0 HA ARG A 106 -9.842 -5.584 5.010 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.783 -7.525 3.541 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.671 -7.686 4.887 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.663 -7.951 6.419 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.696 -7.949 5.003 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -8.370 -9.878 5.262 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.937 -10.238 5.959 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.260 -10.117 3.080 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -11.728 -10.388 5.588 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -12.933 -11.076 4.493 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.811 -11.003 1.678 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -12.415 -11.422 2.288 1.00 0.00 H new ATOM 1693 N TYR A 107 -6.844 -5.987 6.328 1.00 0.00 N ATOM 1694 CA TYR A 107 -6.066 -5.753 7.534 1.00 0.00 C ATOM 1695 C TYR A 107 -4.971 -4.721 7.302 1.00 0.00 C ATOM 1696 O TYR A 107 -4.159 -4.855 6.391 1.00 0.00 O ATOM 1697 CB TYR A 107 -5.438 -7.063 8.010 1.00 0.00 C ATOM 1698 CG TYR A 107 -4.819 -6.976 9.386 1.00 0.00 C ATOM 1699 CD1 TYR A 107 -5.615 -6.855 10.520 1.00 0.00 C ATOM 1700 CD2 TYR A 107 -3.441 -7.015 9.553 1.00 0.00 C ATOM 1701 CE1 TYR A 107 -5.054 -6.776 11.780 1.00 0.00 C ATOM 1702 CE2 TYR A 107 -2.872 -6.936 10.811 1.00 0.00 C ATOM 1703 CZ TYR A 107 -3.683 -6.816 11.920 1.00 0.00 C ATOM 1704 OH TYR A 107 -3.121 -6.736 13.173 1.00 0.00 O ATOM 0 H TYR A 107 -6.363 -6.536 5.615 1.00 0.00 H new ATOM 0 HA TYR A 107 -6.743 -5.366 8.296 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -6.201 -7.841 8.013 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -4.673 -7.369 7.296 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -6.689 -6.822 10.414 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -2.803 -7.109 8.686 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.686 -6.683 12.651 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -1.798 -6.968 10.924 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.145 -6.780 13.097 1.00 0.00 H new ATOM 1714 N PRO A 108 -4.929 -3.679 8.140 1.00 0.00 N ATOM 1715 CA PRO A 108 -3.927 -2.625 8.043 1.00 0.00 C ATOM 1716 C PRO A 108 -2.598 -3.058 8.649 1.00 0.00 C ATOM 1717 O PRO A 108 -2.297 -2.747 9.801 1.00 0.00 O ATOM 1718 CB PRO A 108 -4.528 -1.469 8.854 1.00 0.00 C ATOM 1719 CG PRO A 108 -5.865 -1.940 9.334 1.00 0.00 C ATOM 1720 CD PRO A 108 -5.846 -3.440 9.254 1.00 0.00 C ATOM 0 HA PRO A 108 -3.711 -2.360 7.008 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.884 -1.208 9.694 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -4.629 -0.575 8.239 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -6.048 -1.609 10.356 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.665 -1.529 8.718 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.489 -3.892 10.179 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.837 -3.850 9.060 1.00 0.00 H new ATOM 1728 N VAL A 109 -1.810 -3.787 7.869 1.00 0.00 N ATOM 1729 CA VAL A 109 -0.522 -4.274 8.328 1.00 0.00 C ATOM 1730 C VAL A 109 0.572 -3.235 8.118 1.00 0.00 C ATOM 1731 O VAL A 109 1.607 -3.522 7.516 1.00 0.00 O ATOM 1732 CB VAL A 109 -0.128 -5.569 7.594 1.00 0.00 C ATOM 1733 CG1 VAL A 109 -0.213 -5.372 6.091 1.00 0.00 C ATOM 1734 CG2 VAL A 109 1.267 -6.014 8.007 1.00 0.00 C ATOM 0 H VAL A 109 -2.044 -4.053 6.913 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.621 -4.476 9.394 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.829 -6.355 7.874 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.069 -6.296 5.586 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.233 -5.105 5.816 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.465 -4.573 5.790 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.528 -6.931 7.478 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.986 -5.234 7.758 1.00 0.00 H new ATOM 0 HG23 VAL A 109 1.287 -6.197 9.081 1.00 0.00 H new ATOM 1744 N CYS A 110 0.340 -2.025 8.617 1.00 0.00 N ATOM 1745 CA CYS A 110 1.312 -0.950 8.481 1.00 0.00 C ATOM 1746 C CYS A 110 2.715 -1.451 8.796 1.00 0.00 C ATOM 1747 O CYS A 110 3.180 -1.366 9.932 1.00 0.00 O ATOM 1748 CB CYS A 110 0.952 0.214 9.402 1.00 0.00 C ATOM 1749 SG CYS A 110 2.380 1.035 10.152 1.00 0.00 S ATOM 0 H CYS A 110 -0.510 -1.766 9.117 1.00 0.00 H new ATOM 0 HA CYS A 110 1.292 -0.601 7.449 1.00 0.00 H new ATOM 0 HB2 CYS A 110 0.381 0.949 8.834 1.00 0.00 H new ATOM 0 HB3 CYS A 110 0.300 -0.153 10.195 1.00 0.00 H new ATOM 0 HG CYS A 110 3.216 0.140 10.587 1.00 0.00 H new ATOM 1755 N GLY A 111 3.378 -1.979 7.776 1.00 0.00 N ATOM 1756 CA GLY A 111 4.723 -2.497 7.946 1.00 0.00 C ATOM 1757 C GLY A 111 5.141 -2.568 9.401 1.00 0.00 C ATOM 1758 O GLY A 111 5.755 -1.596 9.890 1.00 0.00 O ATOM 0 H GLY A 111 3.007 -2.058 6.829 1.00 0.00 H new ATOM 0 HA2 GLY A 111 4.783 -3.492 7.506 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.424 -1.864 7.401 1.00 0.00 H new TER 1762 GLY A 111 HETATM 1763 C ACE B 118 -0.317 1.726 -13.318 1.00 0.00 C HETATM 1764 O ACE B 118 -0.770 0.760 -12.704 1.00 0.00 O HETATM 1765 CH3 ACE B 118 -0.444 3.122 -12.763 1.00 0.00 C HETATM 0 H1 ACE B 118 0.549 3.548 -12.619 1.00 0.00 H new HETATM 0 H2 ACE B 118 -1.007 3.741 -13.462 1.00 0.00 H new HETATM 0 H3 ACE B 118 -0.966 3.087 -11.807 1.00 0.00 H new ATOM 1769 N ALA B 119 0.301 1.613 -14.490 1.00 0.00 N ATOM 1770 CA ALA B 119 0.485 0.319 -15.135 1.00 0.00 C ATOM 1771 C ALA B 119 1.488 -0.537 -14.370 1.00 0.00 C ATOM 1772 O ALA B 119 1.263 -1.728 -14.150 1.00 0.00 O ATOM 1773 CB ALA B 119 0.942 0.509 -16.575 1.00 0.00 C ATOM 0 H ALA B 119 0.682 2.402 -15.012 1.00 0.00 H new ATOM 0 HA ALA B 119 -0.473 -0.201 -15.133 1.00 0.00 H new ATOM 0 HB1 ALA B 119 1.076 -0.465 -17.046 1.00 0.00 H new ATOM 0 HB2 ALA B 119 0.190 1.077 -17.123 1.00 0.00 H new ATOM 0 HB3 ALA B 119 1.887 1.051 -16.588 1.00 0.00 H new ATOM 1779 N ASP B 120 2.596 0.076 -13.965 1.00 0.00 N ATOM 1780 CA ASP B 120 3.634 -0.632 -13.223 1.00 0.00 C ATOM 1781 C ASP B 120 3.178 -0.927 -11.797 1.00 0.00 C ATOM 1782 O ASP B 120 3.293 -2.055 -11.319 1.00 0.00 O ATOM 1783 CB ASP B 120 4.924 0.189 -13.199 1.00 0.00 C ATOM 1784 CG ASP B 120 6.145 -0.662 -12.916 1.00 0.00 C ATOM 1785 OD1 ASP B 120 6.138 -1.855 -13.285 1.00 0.00 O ATOM 1786 OD2 ASP B 120 7.112 -0.134 -12.324 1.00 0.00 O ATOM 0 H ASP B 120 2.798 1.061 -14.138 1.00 0.00 H new ATOM 0 HA ASP B 120 3.824 -1.579 -13.728 1.00 0.00 H new ATOM 0 HB2 ASP B 120 5.049 0.692 -14.158 1.00 0.00 H new ATOM 0 HB3 ASP B 120 4.842 0.967 -12.440 1.00 0.00 H new HETATM 1791 N PTR B 121 2.660 0.096 -11.126 1.00 0.00 N HETATM 1792 CA PTR B 121 2.187 -0.052 -9.754 1.00 0.00 C HETATM 1793 C PTR B 121 0.823 -0.734 -9.720 1.00 0.00 C HETATM 1794 O PTR B 121 -0.199 -0.105 -9.987 1.00 0.00 O HETATM 1795 CB PTR B 121 2.100 1.315 -9.073 1.00 0.00 C HETATM 1796 CG PTR B 121 2.987 1.442 -7.856 1.00 0.00 C HETATM 1797 CD1 PTR B 121 2.614 0.880 -6.641 1.00 0.00 C HETATM 1798 CD2 PTR B 121 4.195 2.123 -7.923 1.00 0.00 C HETATM 1799 CE1 PTR B 121 3.420 0.996 -5.526 1.00 0.00 C HETATM 1800 CE2 PTR B 121 5.007 2.243 -6.813 1.00 0.00 C HETATM 1801 CZ PTR B 121 4.616 1.678 -5.618 1.00 0.00 C HETATM 1802 OH PTR B 121 5.424 1.797 -4.509 1.00 0.00 O HETATM 1803 P PTR B 121 6.526 2.940 -4.768 1.00 0.00 P HETATM 1804 O1P PTR B 121 5.955 4.174 -5.630 1.00 0.00 O HETATM 1805 O2P PTR B 121 7.676 2.269 -5.414 1.00 0.00 O HETATM 1806 O3P PTR B 121 6.893 3.538 -3.318 1.00 0.00 O HETATM 0 HE2 PTR B 121 5.952 2.782 -6.881 1.00 0.00 H new HETATM 0 HE1 PTR B 121 3.113 0.552 -4.579 1.00 0.00 H new HETATM 0 HD2 PTR B 121 4.507 2.570 -8.867 1.00 0.00 H new HETATM 0 HD1 PTR B 121 1.670 0.339 -6.567 1.00 0.00 H new HETATM 0 HB3 PTR B 121 2.371 2.088 -9.792 1.00 0.00 H new HETATM 0 HB2 PTR B 121 1.067 1.501 -8.780 1.00 0.00 H new HETATM 0 HA PTR B 121 2.901 -0.676 -9.216 1.00 0.00 H new ATOM 1815 N GLU B 122 0.817 -2.023 -9.392 1.00 0.00 N ATOM 1816 CA GLU B 122 -0.423 -2.789 -9.325 1.00 0.00 C ATOM 1817 C GLU B 122 -1.573 -2.000 -9.941 1.00 0.00 C ATOM 1818 O GLU B 122 -2.414 -1.450 -9.231 1.00 0.00 O ATOM 1819 CB GLU B 122 -0.751 -3.145 -7.874 1.00 0.00 C ATOM 1820 CG GLU B 122 -1.419 -4.500 -7.717 1.00 0.00 C ATOM 1821 CD GLU B 122 -0.460 -5.653 -7.943 1.00 0.00 C ATOM 1822 OE1 GLU B 122 0.193 -6.081 -6.968 1.00 0.00 O ATOM 1823 OE2 GLU B 122 -0.363 -6.129 -9.093 1.00 0.00 O ATOM 0 H GLU B 122 1.656 -2.558 -9.169 1.00 0.00 H new ATOM 0 HA GLU B 122 -0.288 -3.710 -9.892 1.00 0.00 H new ATOM 0 HB2 GLU B 122 0.168 -3.132 -7.289 1.00 0.00 H new ATOM 0 HB3 GLU B 122 -1.404 -2.377 -7.459 1.00 0.00 H new ATOM 0 HG2 GLU B 122 -1.845 -4.577 -6.717 1.00 0.00 H new ATOM 0 HG3 GLU B 122 -2.246 -4.577 -8.422 1.00 0.00 H new ATOM 1830 N PRO B 123 -1.616 -1.937 -11.279 1.00 0.00 N ATOM 1831 CA PRO B 123 -2.656 -1.215 -12.008 1.00 0.00 C ATOM 1832 C PRO B 123 -4.026 -1.325 -11.346 1.00 0.00 C ATOM 1833 O PRO B 123 -4.810 -2.221 -11.662 1.00 0.00 O ATOM 1834 CB PRO B 123 -2.652 -1.912 -13.363 1.00 0.00 C ATOM 1835 CG PRO B 123 -1.231 -2.324 -13.566 1.00 0.00 C ATOM 1836 CD PRO B 123 -0.650 -2.570 -12.193 1.00 0.00 C ATOM 0 HA PRO B 123 -2.464 -0.143 -12.054 1.00 0.00 H new ATOM 0 HB2 PRO B 123 -3.320 -2.773 -13.368 1.00 0.00 H new ATOM 0 HB3 PRO B 123 -2.988 -1.243 -14.155 1.00 0.00 H new ATOM 0 HG2 PRO B 123 -1.173 -3.224 -14.178 1.00 0.00 H new ATOM 0 HG3 PRO B 123 -0.674 -1.547 -14.089 1.00 0.00 H new ATOM 0 HD2 PRO B 123 -0.546 -3.636 -11.989 1.00 0.00 H new ATOM 0 HD3 PRO B 123 0.342 -2.128 -12.094 1.00 0.00 H new ATOM 1844 N PRO B 124 -4.333 -0.404 -10.421 1.00 0.00 N ATOM 1845 CA PRO B 124 -5.613 -0.379 -9.710 1.00 0.00 C ATOM 1846 C PRO B 124 -6.800 -0.508 -10.659 1.00 0.00 C ATOM 1847 O PRO B 124 -7.410 -1.570 -10.772 1.00 0.00 O ATOM 1848 CB PRO B 124 -5.622 0.995 -9.021 1.00 0.00 C ATOM 1849 CG PRO B 124 -4.460 1.742 -9.587 1.00 0.00 C ATOM 1850 CD PRO B 124 -3.464 0.696 -9.995 1.00 0.00 C ATOM 0 HA PRO B 124 -5.708 -1.214 -9.015 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -6.557 1.522 -9.213 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -5.531 0.891 -7.940 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -4.763 2.348 -10.441 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -4.034 2.421 -8.849 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -2.818 1.041 -10.802 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -2.815 0.406 -9.169 1.00 0.00 H new HETATM 1858 N NH2 B 125 -7.140 0.576 -11.347 1.00 0.00 N TER 1859 NH2 B 125