USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 740 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 SER OG : rot 180:sc= -0.116 USER MOD Set 1.2: A 87 MET CE :methyl 163:sc= -2.29! (180deg=-2.83!) USER MOD Set 2.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 29:sc= 1.23 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN :FLIP amide:sc= -3.09 F(o=-6.4!,f=-3.1) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -123:sc= 1.52 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -60:sc= -0.318 USER MOD Single : A 61 TYR OH : rot 30:sc= -0.227 USER MOD Single : A 68 HIS : no HD1:sc= -0.875 K(o=-0.88,f=-2.7!) USER MOD Single : A 69 TYR OH : rot 154:sc= 0.114 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 76 LYS NZ :NH3+ -115:sc= 1.03 (180deg=0.138) USER MOD Single : A 77 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00644) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 125:sc= 1.2 USER MOD Single : A 91 HIS : no HD1:sc= -0.26 K(o=-0.26,f=-0.85) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -6.77! C(o=-9.3!,f=-6.8!) USER MOD Single : A 105 GLN : amide:sc= -0.0127 K(o=-0.013,f=-2.5!) USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS :FLIP no HD1:sc= -0.213 F(o=-1.1,f=-0.21) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 150:sc= -1.13 (180deg=-2.85!) USER MOD Single : A 121 SER OG : rot -58:sc= 0.0976 USER MOD Single : A 122 GLN : amide:sc=-5.78e-05 X(o=-5.8e-05,f=-5.8e-05) USER MOD Single : A 123 SER OG : rot 10:sc= 0.146 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 30 8.761 28.821 6.974 1.00 0.00 N ATOM 2 CA GLY A 30 8.496 28.349 5.627 1.00 0.00 C ATOM 3 C GLY A 30 7.317 27.399 5.568 1.00 0.00 C ATOM 4 O GLY A 30 6.835 26.931 6.599 1.00 0.00 O ATOM 0 HA2 GLY A 30 8.304 29.203 4.977 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.383 27.847 5.240 1.00 0.00 H new ATOM 8 N SER A 31 6.849 27.114 4.357 1.00 0.00 N ATOM 9 CA SER A 31 5.715 26.218 4.166 1.00 0.00 C ATOM 10 C SER A 31 5.533 25.877 2.691 1.00 0.00 C ATOM 11 O SER A 31 5.963 26.624 1.812 1.00 0.00 O ATOM 12 CB SER A 31 4.437 26.855 4.715 1.00 0.00 C ATOM 13 OG SER A 31 3.444 25.875 4.963 1.00 0.00 O ATOM 0 H SER A 31 7.238 27.491 3.493 1.00 0.00 H new ATOM 0 HA SER A 31 5.917 25.296 4.711 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.661 27.391 5.637 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.058 27.589 4.004 1.00 0.00 H new ATOM 0 HG SER A 31 2.638 26.308 5.315 1.00 0.00 H new ATOM 19 N SER A 32 4.893 24.742 2.426 1.00 0.00 N ATOM 20 CA SER A 32 4.657 24.298 1.057 1.00 0.00 C ATOM 21 C SER A 32 3.954 25.384 0.248 1.00 0.00 C ATOM 22 O SER A 32 3.057 26.062 0.747 1.00 0.00 O ATOM 23 CB SER A 32 3.820 23.018 1.051 1.00 0.00 C ATOM 24 OG SER A 32 4.578 21.911 1.509 1.00 0.00 O ATOM 0 H SER A 32 4.529 24.113 3.142 1.00 0.00 H new ATOM 0 HA SER A 32 5.623 24.093 0.595 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.943 23.150 1.685 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.457 22.822 0.042 1.00 0.00 H new ATOM 0 HG SER A 32 4.020 21.105 1.497 1.00 0.00 H new ATOM 30 N GLY A 33 4.368 25.541 -1.005 1.00 0.00 N ATOM 31 CA GLY A 33 3.767 26.545 -1.864 1.00 0.00 C ATOM 32 C GLY A 33 2.463 26.077 -2.479 1.00 0.00 C ATOM 33 O GLY A 33 2.242 26.236 -3.679 1.00 0.00 O ATOM 0 H GLY A 33 5.108 24.991 -1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.588 27.452 -1.287 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.467 26.805 -2.658 1.00 0.00 H new ATOM 37 N SER A 34 1.597 25.497 -1.654 1.00 0.00 N ATOM 38 CA SER A 34 0.309 25.000 -2.124 1.00 0.00 C ATOM 39 C SER A 34 -0.607 24.667 -0.950 1.00 0.00 C ATOM 40 O SER A 34 -0.147 24.486 0.177 1.00 0.00 O ATOM 41 CB SER A 34 0.506 23.760 -2.999 1.00 0.00 C ATOM 42 OG SER A 34 0.823 24.122 -4.332 1.00 0.00 O ATOM 0 H SER A 34 1.764 25.360 -0.657 1.00 0.00 H new ATOM 0 HA SER A 34 -0.161 25.785 -2.717 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.304 23.143 -2.587 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.401 23.156 -2.989 1.00 0.00 H new ATOM 0 HG SER A 34 1.294 24.981 -4.334 1.00 0.00 H new ATOM 48 N SER A 35 -1.905 24.590 -1.224 1.00 0.00 N ATOM 49 CA SER A 35 -2.887 24.283 -0.191 1.00 0.00 C ATOM 50 C SER A 35 -3.519 22.915 -0.430 1.00 0.00 C ATOM 51 O SER A 35 -4.733 22.752 -0.320 1.00 0.00 O ATOM 52 CB SER A 35 -3.973 25.360 -0.154 1.00 0.00 C ATOM 53 OG SER A 35 -4.758 25.332 -1.334 1.00 0.00 O ATOM 0 H SER A 35 -2.301 24.736 -2.153 1.00 0.00 H new ATOM 0 HA SER A 35 -2.372 24.263 0.770 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.612 25.207 0.716 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.513 26.342 -0.043 1.00 0.00 H new ATOM 0 HG SER A 35 -5.446 26.028 -1.286 1.00 0.00 H new ATOM 59 N GLY A 36 -2.684 21.934 -0.760 1.00 0.00 N ATOM 60 CA GLY A 36 -3.178 20.593 -1.010 1.00 0.00 C ATOM 61 C GLY A 36 -2.072 19.556 -0.995 1.00 0.00 C ATOM 62 O GLY A 36 -1.361 19.381 -1.984 1.00 0.00 O ATOM 0 H GLY A 36 -1.675 22.044 -0.859 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.922 20.337 -0.256 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.682 20.569 -1.976 1.00 0.00 H new ATOM 66 N SER A 37 -1.926 18.866 0.132 1.00 0.00 N ATOM 67 CA SER A 37 -0.895 17.844 0.275 1.00 0.00 C ATOM 68 C SER A 37 -1.362 16.516 -0.313 1.00 0.00 C ATOM 69 O SER A 37 -2.509 16.112 -0.129 1.00 0.00 O ATOM 70 CB SER A 37 -0.529 17.662 1.749 1.00 0.00 C ATOM 71 OG SER A 37 -1.591 17.059 2.468 1.00 0.00 O ATOM 0 H SER A 37 -2.508 18.996 0.959 1.00 0.00 H new ATOM 0 HA SER A 37 -0.012 18.174 -0.273 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.366 17.045 1.831 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.291 18.630 2.190 1.00 0.00 H new ATOM 0 HG SER A 37 -1.331 16.952 3.407 1.00 0.00 H new ATOM 77 N GLY A 38 -0.462 15.842 -1.023 1.00 0.00 N ATOM 78 CA GLY A 38 -0.799 14.566 -1.628 1.00 0.00 C ATOM 79 C GLY A 38 -0.524 13.396 -0.705 1.00 0.00 C ATOM 80 O GLY A 38 -0.075 12.339 -1.149 1.00 0.00 O ATOM 0 H GLY A 38 0.494 16.156 -1.190 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.853 14.566 -1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.228 14.441 -2.548 1.00 0.00 H new ATOM 84 N ARG A 39 -0.792 13.584 0.583 1.00 0.00 N ATOM 85 CA ARG A 39 -0.568 12.536 1.572 1.00 0.00 C ATOM 86 C ARG A 39 -1.640 11.455 1.471 1.00 0.00 C ATOM 87 O ARG A 39 -2.820 11.752 1.277 1.00 0.00 O ATOM 88 CB ARG A 39 -0.558 13.129 2.982 1.00 0.00 C ATOM 89 CG ARG A 39 0.368 12.401 3.942 1.00 0.00 C ATOM 90 CD ARG A 39 0.935 13.344 4.992 1.00 0.00 C ATOM 91 NE ARG A 39 0.104 13.390 6.192 1.00 0.00 N ATOM 92 CZ ARG A 39 0.517 13.886 7.353 1.00 0.00 C ATOM 93 NH1 ARG A 39 1.743 14.376 7.470 1.00 0.00 N ATOM 94 NH2 ARG A 39 -0.298 13.893 8.400 1.00 0.00 N ATOM 0 H ARG A 39 -1.165 14.453 0.966 1.00 0.00 H new ATOM 0 HA ARG A 39 0.402 12.082 1.369 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.258 14.175 2.925 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.572 13.109 3.383 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.176 11.594 4.432 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.185 11.942 3.384 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.942 13.024 5.260 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.020 14.346 4.571 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.845 13.021 6.136 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.372 14.373 6.667 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.057 14.756 8.363 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.242 13.517 8.314 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.020 14.274 9.291 1.00 0.00 H new ATOM 108 N LEU A 40 -1.222 10.201 1.603 1.00 0.00 N ATOM 109 CA LEU A 40 -2.147 9.075 1.526 1.00 0.00 C ATOM 110 C LEU A 40 -1.719 7.954 2.468 1.00 0.00 C ATOM 111 O LEU A 40 -0.579 7.491 2.421 1.00 0.00 O ATOM 112 CB LEU A 40 -2.223 8.550 0.091 1.00 0.00 C ATOM 113 CG LEU A 40 -2.814 9.508 -0.943 1.00 0.00 C ATOM 114 CD1 LEU A 40 -2.567 8.991 -2.352 1.00 0.00 C ATOM 115 CD2 LEU A 40 -4.303 9.704 -0.699 1.00 0.00 C ATOM 0 H LEU A 40 -0.250 9.938 1.764 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.133 9.424 1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.217 8.277 -0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.816 7.636 0.091 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.319 10.474 -0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.995 9.686 -3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.494 8.903 -2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.035 8.013 -2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.707 10.389 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.813 8.744 -0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.457 10.120 0.297 1.00 0.00 H new ATOM 127 N PHE A 41 -2.640 7.521 3.322 1.00 0.00 N ATOM 128 CA PHE A 41 -2.359 6.453 4.274 1.00 0.00 C ATOM 129 C PHE A 41 -2.566 5.084 3.633 1.00 0.00 C ATOM 130 O PHE A 41 -3.619 4.809 3.057 1.00 0.00 O ATOM 131 CB PHE A 41 -3.254 6.592 5.507 1.00 0.00 C ATOM 132 CG PHE A 41 -3.016 5.531 6.543 1.00 0.00 C ATOM 133 CD1 PHE A 41 -1.774 5.396 7.143 1.00 0.00 C ATOM 134 CD2 PHE A 41 -4.034 4.669 6.917 1.00 0.00 C ATOM 135 CE1 PHE A 41 -1.552 4.420 8.097 1.00 0.00 C ATOM 136 CE2 PHE A 41 -3.818 3.692 7.871 1.00 0.00 C ATOM 137 CZ PHE A 41 -2.575 3.567 8.460 1.00 0.00 C ATOM 0 H PHE A 41 -3.588 7.894 3.374 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.316 6.537 4.579 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.090 7.571 5.957 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.298 6.556 5.195 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.970 6.061 6.862 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.007 4.761 6.458 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.580 4.325 8.557 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.620 3.027 8.155 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.404 2.803 9.204 1.00 0.00 H new ATOM 147 N VAL A 42 -1.554 4.229 3.737 1.00 0.00 N ATOM 148 CA VAL A 42 -1.624 2.889 3.169 1.00 0.00 C ATOM 149 C VAL A 42 -1.353 1.827 4.229 1.00 0.00 C ATOM 150 O VAL A 42 -0.515 2.016 5.111 1.00 0.00 O ATOM 151 CB VAL A 42 -0.618 2.715 2.016 1.00 0.00 C ATOM 152 CG1 VAL A 42 -0.795 1.357 1.352 1.00 0.00 C ATOM 153 CG2 VAL A 42 -0.772 3.837 1.001 1.00 0.00 C ATOM 0 H VAL A 42 -0.675 4.441 4.210 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.635 2.762 2.782 1.00 0.00 H new ATOM 0 HB VAL A 42 0.390 2.763 2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.076 1.253 0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.630 0.569 2.086 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.806 1.276 0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.053 3.698 0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.783 3.823 0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.590 4.795 1.488 1.00 0.00 H new ATOM 163 N ARG A 43 -2.067 0.710 4.137 1.00 0.00 N ATOM 164 CA ARG A 43 -1.905 -0.382 5.089 1.00 0.00 C ATOM 165 C ARG A 43 -1.970 -1.733 4.383 1.00 0.00 C ATOM 166 O ARG A 43 -2.395 -1.822 3.232 1.00 0.00 O ATOM 167 CB ARG A 43 -2.982 -0.307 6.172 1.00 0.00 C ATOM 168 CG ARG A 43 -4.320 -0.884 5.741 1.00 0.00 C ATOM 169 CD ARG A 43 -4.463 -2.337 6.165 1.00 0.00 C ATOM 170 NE ARG A 43 -5.086 -2.465 7.480 1.00 0.00 N ATOM 171 CZ ARG A 43 -5.665 -3.580 7.913 1.00 0.00 C ATOM 172 NH1 ARG A 43 -5.699 -4.657 7.141 1.00 0.00 N ATOM 173 NH2 ARG A 43 -6.211 -3.618 9.122 1.00 0.00 N ATOM 0 H ARG A 43 -2.764 0.537 3.412 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.925 -0.282 5.555 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.634 -0.841 7.056 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.122 0.734 6.462 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.128 -0.296 6.176 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.418 -0.809 4.658 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.060 -2.873 5.427 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.480 -2.808 6.182 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.076 -1.655 8.099 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.280 -4.632 6.211 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.144 -5.511 7.477 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.186 -2.791 9.719 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.655 -4.474 9.454 1.00 0.00 H new ATOM 187 N ASN A 44 -1.547 -2.781 5.082 1.00 0.00 N ATOM 188 CA ASN A 44 -1.557 -4.127 4.522 1.00 0.00 C ATOM 189 C ASN A 44 -0.426 -4.306 3.513 1.00 0.00 C ATOM 190 O ASN A 44 -0.656 -4.694 2.367 1.00 0.00 O ATOM 191 CB ASN A 44 -2.902 -4.414 3.851 1.00 0.00 C ATOM 192 CG ASN A 44 -3.257 -5.888 3.873 1.00 0.00 C ATOM 193 OD1 ASN A 44 -3.293 -6.505 2.698 1.00 0.00 O flip ATOM 194 ND2 ASN A 44 -3.496 -6.465 4.934 1.00 0.00 N flip ATOM 0 H ASN A 44 -1.193 -2.724 6.037 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.407 -4.833 5.339 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.685 -3.847 4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.871 -4.066 2.819 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.457 -5.951 5.814 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.733 -7.457 4.933 1.00 0.00 H new ATOM 201 N LEU A 45 0.797 -4.019 3.947 1.00 0.00 N ATOM 202 CA LEU A 45 1.965 -4.148 3.083 1.00 0.00 C ATOM 203 C LEU A 45 2.668 -5.482 3.313 1.00 0.00 C ATOM 204 O LEU A 45 3.257 -5.711 4.369 1.00 0.00 O ATOM 205 CB LEU A 45 2.939 -2.996 3.335 1.00 0.00 C ATOM 206 CG LEU A 45 2.737 -1.747 2.476 1.00 0.00 C ATOM 207 CD1 LEU A 45 2.507 -2.130 1.023 1.00 0.00 C ATOM 208 CD2 LEU A 45 1.574 -0.920 3.003 1.00 0.00 C ATOM 0 H LEU A 45 1.005 -3.696 4.892 1.00 0.00 H new ATOM 0 HA LEU A 45 1.626 -4.110 2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.866 -2.707 4.384 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.953 -3.362 3.175 1.00 0.00 H new ATOM 0 HG LEU A 45 3.641 -1.141 2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.365 -1.228 0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.372 -2.679 0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.619 -2.758 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.445 -0.035 2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.662 -1.517 2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.780 -0.614 4.029 1.00 0.00 H new ATOM 220 N SER A 46 2.602 -6.359 2.316 1.00 0.00 N ATOM 221 CA SER A 46 3.230 -7.672 2.410 1.00 0.00 C ATOM 222 C SER A 46 4.707 -7.543 2.772 1.00 0.00 C ATOM 223 O SER A 46 5.453 -6.806 2.126 1.00 0.00 O ATOM 224 CB SER A 46 3.081 -8.427 1.088 1.00 0.00 C ATOM 225 OG SER A 46 3.068 -9.828 1.300 1.00 0.00 O ATOM 0 H SER A 46 2.120 -6.184 1.434 1.00 0.00 H new ATOM 0 HA SER A 46 2.728 -8.232 3.199 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.159 -8.122 0.593 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.902 -8.164 0.421 1.00 0.00 H new ATOM 0 HG SER A 46 2.970 -10.288 0.440 1.00 0.00 H new ATOM 231 N TYR A 47 5.121 -8.263 3.808 1.00 0.00 N ATOM 232 CA TYR A 47 6.507 -8.228 4.258 1.00 0.00 C ATOM 233 C TYR A 47 7.466 -8.407 3.085 1.00 0.00 C ATOM 234 O TYR A 47 8.478 -7.713 2.982 1.00 0.00 O ATOM 235 CB TYR A 47 6.753 -9.318 5.303 1.00 0.00 C ATOM 236 CG TYR A 47 5.576 -9.552 6.223 1.00 0.00 C ATOM 237 CD1 TYR A 47 5.054 -8.519 6.992 1.00 0.00 C ATOM 238 CD2 TYR A 47 4.986 -10.806 6.323 1.00 0.00 C ATOM 239 CE1 TYR A 47 3.980 -8.729 7.834 1.00 0.00 C ATOM 240 CE2 TYR A 47 3.910 -11.024 7.162 1.00 0.00 C ATOM 241 CZ TYR A 47 3.411 -9.983 7.915 1.00 0.00 C ATOM 242 OH TYR A 47 2.340 -10.195 8.752 1.00 0.00 O ATOM 0 H TYR A 47 4.516 -8.878 4.352 1.00 0.00 H new ATOM 0 HA TYR A 47 6.691 -7.253 4.709 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.996 -10.250 4.793 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.623 -9.046 5.901 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.496 -7.535 6.930 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.375 -11.624 5.735 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.587 -7.916 8.426 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.462 -12.005 7.227 1.00 0.00 H new ATOM 0 HH TYR A 47 2.057 -11.131 8.691 1.00 0.00 H new ATOM 252 N THR A 48 7.139 -9.344 2.199 1.00 0.00 N ATOM 253 CA THR A 48 7.969 -9.615 1.033 1.00 0.00 C ATOM 254 C THR A 48 8.226 -8.344 0.233 1.00 0.00 C ATOM 255 O THR A 48 9.255 -8.214 -0.431 1.00 0.00 O ATOM 256 CB THR A 48 7.319 -10.665 0.113 1.00 0.00 C ATOM 257 OG1 THR A 48 6.222 -10.081 -0.598 1.00 0.00 O ATOM 258 CG2 THR A 48 6.830 -11.861 0.916 1.00 0.00 C ATOM 0 H THR A 48 6.305 -9.927 2.268 1.00 0.00 H new ATOM 0 HA THR A 48 8.917 -10.005 1.404 1.00 0.00 H new ATOM 0 HB THR A 48 8.071 -11.008 -0.597 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.815 -10.755 -1.182 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.375 -12.589 0.244 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.672 -12.321 1.433 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.092 -11.531 1.647 1.00 0.00 H new ATOM 266 N SER A 49 7.285 -7.407 0.300 1.00 0.00 N ATOM 267 CA SER A 49 7.409 -6.146 -0.422 1.00 0.00 C ATOM 268 C SER A 49 8.508 -5.279 0.184 1.00 0.00 C ATOM 269 O SER A 49 8.693 -5.252 1.401 1.00 0.00 O ATOM 270 CB SER A 49 6.079 -5.391 -0.403 1.00 0.00 C ATOM 271 OG SER A 49 5.039 -6.175 -0.961 1.00 0.00 O ATOM 0 H SER A 49 6.429 -7.497 0.847 1.00 0.00 H new ATOM 0 HA SER A 49 7.676 -6.371 -1.454 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.825 -5.121 0.622 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.177 -4.461 -0.962 1.00 0.00 H new ATOM 0 HG SER A 49 4.624 -5.687 -1.703 1.00 0.00 H new ATOM 277 N SER A 50 9.236 -4.572 -0.674 1.00 0.00 N ATOM 278 CA SER A 50 10.320 -3.706 -0.225 1.00 0.00 C ATOM 279 C SER A 50 9.990 -2.240 -0.490 1.00 0.00 C ATOM 280 O SER A 50 9.143 -1.925 -1.326 1.00 0.00 O ATOM 281 CB SER A 50 11.625 -4.081 -0.929 1.00 0.00 C ATOM 282 OG SER A 50 12.210 -5.230 -0.340 1.00 0.00 O ATOM 0 H SER A 50 9.095 -4.582 -1.684 1.00 0.00 H new ATOM 0 HA SER A 50 10.441 -3.845 0.849 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.431 -4.268 -1.985 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.323 -3.246 -0.876 1.00 0.00 H new ATOM 0 HG SER A 50 13.042 -5.450 -0.809 1.00 0.00 H new ATOM 288 N GLU A 51 10.665 -1.349 0.229 1.00 0.00 N ATOM 289 CA GLU A 51 10.442 0.084 0.072 1.00 0.00 C ATOM 290 C GLU A 51 10.549 0.494 -1.393 1.00 0.00 C ATOM 291 O GLU A 51 9.690 1.205 -1.913 1.00 0.00 O ATOM 292 CB GLU A 51 11.451 0.874 0.909 1.00 0.00 C ATOM 293 CG GLU A 51 11.242 2.378 0.855 1.00 0.00 C ATOM 294 CD GLU A 51 12.402 3.150 1.454 1.00 0.00 C ATOM 295 OE1 GLU A 51 12.436 3.303 2.693 1.00 0.00 O ATOM 296 OE2 GLU A 51 13.275 3.600 0.683 1.00 0.00 O ATOM 0 H GLU A 51 11.370 -1.593 0.925 1.00 0.00 H new ATOM 0 HA GLU A 51 9.434 0.309 0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.388 0.544 1.946 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.458 0.643 0.562 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.103 2.685 -0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.326 2.633 1.389 1.00 0.00 H new ATOM 303 N GLU A 52 11.611 0.041 -2.053 1.00 0.00 N ATOM 304 CA GLU A 52 11.831 0.363 -3.458 1.00 0.00 C ATOM 305 C GLU A 52 10.638 -0.067 -4.308 1.00 0.00 C ATOM 306 O GLU A 52 10.129 0.706 -5.119 1.00 0.00 O ATOM 307 CB GLU A 52 13.104 -0.317 -3.966 1.00 0.00 C ATOM 308 CG GLU A 52 13.381 -0.068 -5.439 1.00 0.00 C ATOM 309 CD GLU A 52 14.504 -0.934 -5.977 1.00 0.00 C ATOM 310 OE1 GLU A 52 14.434 -2.169 -5.807 1.00 0.00 O ATOM 311 OE2 GLU A 52 15.452 -0.376 -6.568 1.00 0.00 O ATOM 0 H GLU A 52 12.331 -0.549 -1.637 1.00 0.00 H new ATOM 0 HA GLU A 52 11.945 1.444 -3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.953 0.036 -3.381 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.025 -1.391 -3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.474 -0.259 -6.013 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.635 0.982 -5.584 1.00 0.00 H new ATOM 318 N ASP A 53 10.199 -1.306 -4.116 1.00 0.00 N ATOM 319 CA ASP A 53 9.066 -1.840 -4.863 1.00 0.00 C ATOM 320 C ASP A 53 7.869 -0.898 -4.782 1.00 0.00 C ATOM 321 O ASP A 53 7.186 -0.657 -5.778 1.00 0.00 O ATOM 322 CB ASP A 53 8.682 -3.221 -4.330 1.00 0.00 C ATOM 323 CG ASP A 53 8.057 -4.099 -5.396 1.00 0.00 C ATOM 324 OD1 ASP A 53 7.570 -3.550 -6.406 1.00 0.00 O ATOM 325 OD2 ASP A 53 8.053 -5.336 -5.219 1.00 0.00 O ATOM 0 H ASP A 53 10.610 -1.959 -3.450 1.00 0.00 H new ATOM 0 HA ASP A 53 9.362 -1.932 -5.908 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.569 -3.713 -3.932 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.983 -3.106 -3.502 1.00 0.00 H new ATOM 330 N LEU A 54 7.619 -0.369 -3.589 1.00 0.00 N ATOM 331 CA LEU A 54 6.503 0.546 -3.377 1.00 0.00 C ATOM 332 C LEU A 54 6.633 1.779 -4.267 1.00 0.00 C ATOM 333 O LEU A 54 5.738 2.084 -5.053 1.00 0.00 O ATOM 334 CB LEU A 54 6.437 0.969 -1.908 1.00 0.00 C ATOM 335 CG LEU A 54 5.883 -0.073 -0.935 1.00 0.00 C ATOM 336 CD1 LEU A 54 6.090 0.377 0.503 1.00 0.00 C ATOM 337 CD2 LEU A 54 4.408 -0.328 -1.209 1.00 0.00 C ATOM 0 H LEU A 54 8.174 -0.558 -2.754 1.00 0.00 H new ATOM 0 HA LEU A 54 5.583 0.025 -3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.441 1.242 -1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.823 1.867 -1.836 1.00 0.00 H new ATOM 0 HG LEU A 54 6.426 -1.006 -1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.690 -0.377 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.155 0.508 0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.574 1.323 0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.031 -1.072 -0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.850 0.600 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.285 -0.695 -2.228 1.00 0.00 H new ATOM 349 N GLU A 55 7.754 2.481 -4.137 1.00 0.00 N ATOM 350 CA GLU A 55 8.001 3.679 -4.930 1.00 0.00 C ATOM 351 C GLU A 55 7.510 3.493 -6.363 1.00 0.00 C ATOM 352 O GLU A 55 6.710 4.282 -6.866 1.00 0.00 O ATOM 353 CB GLU A 55 9.492 4.020 -4.930 1.00 0.00 C ATOM 354 CG GLU A 55 10.031 4.394 -3.560 1.00 0.00 C ATOM 355 CD GLU A 55 11.545 4.339 -3.493 1.00 0.00 C ATOM 356 OE1 GLU A 55 12.154 3.679 -4.361 1.00 0.00 O ATOM 357 OE2 GLU A 55 12.121 4.956 -2.573 1.00 0.00 O ATOM 0 H GLU A 55 8.505 2.241 -3.490 1.00 0.00 H new ATOM 0 HA GLU A 55 7.448 4.503 -4.479 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.051 3.165 -5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.667 4.847 -5.618 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.696 5.399 -3.304 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.613 3.719 -2.813 1.00 0.00 H new ATOM 364 N LYS A 56 7.997 2.443 -7.017 1.00 0.00 N ATOM 365 CA LYS A 56 7.609 2.151 -8.392 1.00 0.00 C ATOM 366 C LYS A 56 6.100 1.957 -8.502 1.00 0.00 C ATOM 367 O LYS A 56 5.461 2.489 -9.411 1.00 0.00 O ATOM 368 CB LYS A 56 8.333 0.898 -8.892 1.00 0.00 C ATOM 369 CG LYS A 56 9.802 1.126 -9.200 1.00 0.00 C ATOM 370 CD LYS A 56 10.474 -0.146 -9.688 1.00 0.00 C ATOM 371 CE LYS A 56 10.655 -1.148 -8.558 1.00 0.00 C ATOM 372 NZ LYS A 56 11.368 -2.374 -9.013 1.00 0.00 N ATOM 0 H LYS A 56 8.661 1.780 -6.617 1.00 0.00 H new ATOM 0 HA LYS A 56 7.894 3.001 -9.012 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.246 0.114 -8.140 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.834 0.535 -9.791 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.899 1.903 -9.958 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.310 1.487 -8.306 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.875 -0.594 -10.481 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.445 0.097 -10.120 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.214 -0.683 -7.746 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.680 -1.423 -8.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.472 -3.032 -8.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.822 -2.832 -9.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.309 -2.115 -9.373 1.00 0.00 H new ATOM 386 N LEU A 57 5.536 1.196 -7.572 1.00 0.00 N ATOM 387 CA LEU A 57 4.101 0.934 -7.564 1.00 0.00 C ATOM 388 C LEU A 57 3.310 2.237 -7.559 1.00 0.00 C ATOM 389 O LEU A 57 2.459 2.463 -8.420 1.00 0.00 O ATOM 390 CB LEU A 57 3.724 0.090 -6.345 1.00 0.00 C ATOM 391 CG LEU A 57 2.246 0.101 -5.952 1.00 0.00 C ATOM 392 CD1 LEU A 57 1.440 -0.794 -6.880 1.00 0.00 C ATOM 393 CD2 LEU A 57 2.075 -0.337 -4.505 1.00 0.00 C ATOM 0 H LEU A 57 6.050 0.749 -6.813 1.00 0.00 H new ATOM 0 HA LEU A 57 3.852 0.383 -8.471 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.021 -0.941 -6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.308 0.437 -5.493 1.00 0.00 H new ATOM 0 HG LEU A 57 1.872 1.120 -6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.391 -0.773 -6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.536 -0.436 -7.905 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.815 -1.816 -6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.017 -0.323 -4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.466 -1.347 -4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.619 0.345 -3.852 1.00 0.00 H new ATOM 405 N PHE A 58 3.597 3.094 -6.584 1.00 0.00 N ATOM 406 CA PHE A 58 2.913 4.377 -6.468 1.00 0.00 C ATOM 407 C PHE A 58 3.388 5.347 -7.546 1.00 0.00 C ATOM 408 O PHE A 58 2.611 5.773 -8.399 1.00 0.00 O ATOM 409 CB PHE A 58 3.149 4.981 -5.082 1.00 0.00 C ATOM 410 CG PHE A 58 2.390 4.286 -3.988 1.00 0.00 C ATOM 411 CD1 PHE A 58 1.057 4.583 -3.756 1.00 0.00 C ATOM 412 CD2 PHE A 58 3.010 3.337 -3.192 1.00 0.00 C ATOM 413 CE1 PHE A 58 0.356 3.946 -2.749 1.00 0.00 C ATOM 414 CE2 PHE A 58 2.314 2.696 -2.184 1.00 0.00 C ATOM 415 CZ PHE A 58 0.985 3.000 -1.963 1.00 0.00 C ATOM 0 H PHE A 58 4.298 2.923 -5.863 1.00 0.00 H new ATOM 0 HA PHE A 58 1.845 4.205 -6.605 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.214 4.943 -4.855 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.864 6.033 -5.100 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.560 5.320 -4.369 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.049 3.095 -3.361 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.682 4.188 -2.577 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.809 1.958 -1.570 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.439 2.499 -1.177 1.00 0.00 H new ATOM 425 N SER A 59 4.671 5.692 -7.499 1.00 0.00 N ATOM 426 CA SER A 59 5.251 6.614 -8.468 1.00 0.00 C ATOM 427 C SER A 59 4.606 6.437 -9.839 1.00 0.00 C ATOM 428 O SER A 59 4.381 7.408 -10.562 1.00 0.00 O ATOM 429 CB SER A 59 6.762 6.398 -8.570 1.00 0.00 C ATOM 430 OG SER A 59 7.058 5.166 -9.204 1.00 0.00 O ATOM 0 H SER A 59 5.329 5.347 -6.800 1.00 0.00 H new ATOM 0 HA SER A 59 5.060 7.631 -8.124 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.213 7.217 -9.131 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.203 6.413 -7.573 1.00 0.00 H new ATOM 0 HG SER A 59 6.669 4.430 -8.687 1.00 0.00 H new ATOM 436 N ALA A 60 4.312 5.190 -10.191 1.00 0.00 N ATOM 437 CA ALA A 60 3.691 4.884 -11.474 1.00 0.00 C ATOM 438 C ALA A 60 2.586 5.883 -11.802 1.00 0.00 C ATOM 439 O ALA A 60 2.570 6.473 -12.882 1.00 0.00 O ATOM 440 CB ALA A 60 3.139 3.466 -11.469 1.00 0.00 C ATOM 0 H ALA A 60 4.494 4.375 -9.606 1.00 0.00 H new ATOM 0 HA ALA A 60 4.456 4.962 -12.247 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.678 3.252 -12.433 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.950 2.760 -11.289 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.393 3.369 -10.681 1.00 0.00 H new ATOM 446 N TYR A 61 1.664 6.066 -10.863 1.00 0.00 N ATOM 447 CA TYR A 61 0.554 6.992 -11.053 1.00 0.00 C ATOM 448 C TYR A 61 1.061 8.409 -11.302 1.00 0.00 C ATOM 449 O TYR A 61 0.575 9.108 -12.190 1.00 0.00 O ATOM 450 CB TYR A 61 -0.367 6.975 -9.832 1.00 0.00 C ATOM 451 CG TYR A 61 -1.184 5.709 -9.707 1.00 0.00 C ATOM 452 CD1 TYR A 61 -0.692 4.605 -9.023 1.00 0.00 C ATOM 453 CD2 TYR A 61 -2.450 5.618 -10.273 1.00 0.00 C ATOM 454 CE1 TYR A 61 -1.435 3.446 -8.907 1.00 0.00 C ATOM 455 CE2 TYR A 61 -3.201 4.464 -10.161 1.00 0.00 C ATOM 456 CZ TYR A 61 -2.689 3.381 -9.477 1.00 0.00 C ATOM 457 OH TYR A 61 -3.433 2.229 -9.363 1.00 0.00 O ATOM 0 H TYR A 61 1.663 5.586 -9.963 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.008 6.669 -11.929 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.235 7.099 -8.932 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.042 7.829 -9.885 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.289 4.653 -8.574 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.854 6.464 -10.810 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.036 2.596 -8.373 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.183 4.410 -10.606 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.205 1.774 -8.526 1.00 0.00 H new ATOM 467 N GLY A 62 2.045 8.826 -10.510 1.00 0.00 N ATOM 468 CA GLY A 62 2.604 10.157 -10.660 1.00 0.00 C ATOM 469 C GLY A 62 3.844 10.363 -9.813 1.00 0.00 C ATOM 470 O GLY A 62 4.313 9.453 -9.129 1.00 0.00 O ATOM 0 H GLY A 62 2.464 8.266 -9.768 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.851 10.328 -11.708 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.852 10.897 -10.384 1.00 0.00 H new ATOM 474 N PRO A 63 4.397 11.584 -9.855 1.00 0.00 N ATOM 475 CA PRO A 63 5.599 11.935 -9.092 1.00 0.00 C ATOM 476 C PRO A 63 5.335 11.999 -7.592 1.00 0.00 C ATOM 477 O PRO A 63 4.515 12.792 -7.128 1.00 0.00 O ATOM 478 CB PRO A 63 5.967 13.321 -9.629 1.00 0.00 C ATOM 479 CG PRO A 63 4.684 13.885 -10.133 1.00 0.00 C ATOM 480 CD PRO A 63 3.892 12.716 -10.649 1.00 0.00 C ATOM 0 HA PRO A 63 6.388 11.193 -9.210 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.395 13.948 -8.847 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.709 13.253 -10.424 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.145 14.401 -9.338 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.862 14.615 -10.923 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.821 12.861 -10.505 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.052 12.562 -11.716 1.00 0.00 H new ATOM 488 N LEU A 64 6.035 11.159 -6.837 1.00 0.00 N ATOM 489 CA LEU A 64 5.877 11.120 -5.387 1.00 0.00 C ATOM 490 C LEU A 64 6.658 12.249 -4.724 1.00 0.00 C ATOM 491 O LEU A 64 7.689 12.688 -5.234 1.00 0.00 O ATOM 492 CB LEU A 64 6.344 9.770 -4.840 1.00 0.00 C ATOM 493 CG LEU A 64 5.595 8.541 -5.355 1.00 0.00 C ATOM 494 CD1 LEU A 64 6.257 7.265 -4.858 1.00 0.00 C ATOM 495 CD2 LEU A 64 4.135 8.588 -4.928 1.00 0.00 C ATOM 0 H LEU A 64 6.717 10.496 -7.205 1.00 0.00 H new ATOM 0 HA LEU A 64 4.820 11.252 -5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.401 9.651 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.260 9.792 -3.753 1.00 0.00 H new ATOM 0 HG LEU A 64 5.634 8.546 -6.444 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.710 6.401 -5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.286 7.226 -5.214 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.250 7.252 -3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.617 7.705 -5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.075 8.609 -3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.666 9.484 -5.334 1.00 0.00 H new ATOM 507 N SER A 65 6.162 12.713 -3.581 1.00 0.00 N ATOM 508 CA SER A 65 6.813 13.793 -2.848 1.00 0.00 C ATOM 509 C SER A 65 7.716 13.236 -1.751 1.00 0.00 C ATOM 510 O SER A 65 8.854 13.675 -1.588 1.00 0.00 O ATOM 511 CB SER A 65 5.766 14.727 -2.238 1.00 0.00 C ATOM 512 OG SER A 65 6.381 15.819 -1.576 1.00 0.00 O ATOM 0 H SER A 65 5.312 12.358 -3.143 1.00 0.00 H new ATOM 0 HA SER A 65 7.428 14.357 -3.549 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.105 15.098 -3.021 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.146 14.173 -1.533 1.00 0.00 H new ATOM 0 HG SER A 65 5.691 16.402 -1.196 1.00 0.00 H new ATOM 518 N GLU A 66 7.199 12.268 -1.002 1.00 0.00 N ATOM 519 CA GLU A 66 7.958 11.652 0.081 1.00 0.00 C ATOM 520 C GLU A 66 7.396 10.276 0.425 1.00 0.00 C ATOM 521 O GLU A 66 6.213 10.006 0.216 1.00 0.00 O ATOM 522 CB GLU A 66 7.939 12.548 1.321 1.00 0.00 C ATOM 523 CG GLU A 66 8.252 11.809 2.611 1.00 0.00 C ATOM 524 CD GLU A 66 7.096 10.951 3.088 1.00 0.00 C ATOM 525 OE1 GLU A 66 5.957 11.183 2.631 1.00 0.00 O ATOM 526 OE2 GLU A 66 7.330 10.048 3.918 1.00 0.00 O ATOM 0 H GLU A 66 6.258 11.893 -1.125 1.00 0.00 H new ATOM 0 HA GLU A 66 8.988 11.531 -0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.662 13.353 1.189 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.957 13.013 1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.129 11.179 2.461 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.507 12.531 3.386 1.00 0.00 H new ATOM 533 N LEU A 67 8.253 9.409 0.953 1.00 0.00 N ATOM 534 CA LEU A 67 7.844 8.059 1.326 1.00 0.00 C ATOM 535 C LEU A 67 8.349 7.703 2.720 1.00 0.00 C ATOM 536 O LEU A 67 9.457 8.078 3.105 1.00 0.00 O ATOM 537 CB LEU A 67 8.368 7.046 0.307 1.00 0.00 C ATOM 538 CG LEU A 67 7.753 5.648 0.374 1.00 0.00 C ATOM 539 CD1 LEU A 67 6.397 5.627 -0.313 1.00 0.00 C ATOM 540 CD2 LEU A 67 8.688 4.624 -0.254 1.00 0.00 C ATOM 0 H LEU A 67 9.235 9.617 1.133 1.00 0.00 H new ATOM 0 HA LEU A 67 6.755 8.025 1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.201 7.447 -0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.446 6.954 0.438 1.00 0.00 H new ATOM 0 HG LEU A 67 7.609 5.385 1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.975 4.624 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.728 6.331 0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.514 5.911 -1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.234 3.634 -0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.864 4.884 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.636 4.620 0.283 1.00 0.00 H new ATOM 552 N HIS A 68 7.531 6.975 3.473 1.00 0.00 N ATOM 553 CA HIS A 68 7.896 6.565 4.824 1.00 0.00 C ATOM 554 C HIS A 68 7.618 5.080 5.036 1.00 0.00 C ATOM 555 O HIS A 68 6.474 4.676 5.240 1.00 0.00 O ATOM 556 CB HIS A 68 7.127 7.392 5.856 1.00 0.00 C ATOM 557 CG HIS A 68 7.641 7.233 7.254 1.00 0.00 C ATOM 558 ND1 HIS A 68 8.025 6.018 7.781 1.00 0.00 N ATOM 559 CD2 HIS A 68 7.836 8.146 8.234 1.00 0.00 C ATOM 560 CE1 HIS A 68 8.431 6.190 9.026 1.00 0.00 C ATOM 561 NE2 HIS A 68 8.327 7.472 9.326 1.00 0.00 N ATOM 0 H HIS A 68 6.610 6.657 3.170 1.00 0.00 H new ATOM 0 HA HIS A 68 8.964 6.738 4.953 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.177 8.444 5.577 1.00 0.00 H new ATOM 0 HB3 HIS A 68 6.076 7.105 5.829 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.642 9.206 8.170 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.788 5.414 9.687 1.00 0.00 H new ATOM 0 HE2 HIS A 68 8.571 7.893 10.222 1.00 0.00 H new ATOM 570 N TYR A 69 8.672 4.273 4.983 1.00 0.00 N ATOM 571 CA TYR A 69 8.541 2.832 5.166 1.00 0.00 C ATOM 572 C TYR A 69 9.117 2.399 6.510 1.00 0.00 C ATOM 573 O TYR A 69 10.312 2.136 6.647 1.00 0.00 O ATOM 574 CB TYR A 69 9.247 2.087 4.032 1.00 0.00 C ATOM 575 CG TYR A 69 8.668 0.719 3.754 1.00 0.00 C ATOM 576 CD1 TYR A 69 7.295 0.534 3.638 1.00 0.00 C ATOM 577 CD2 TYR A 69 9.492 -0.390 3.608 1.00 0.00 C ATOM 578 CE1 TYR A 69 6.761 -0.715 3.385 1.00 0.00 C ATOM 579 CE2 TYR A 69 8.967 -1.642 3.353 1.00 0.00 C ATOM 580 CZ TYR A 69 7.601 -1.799 3.242 1.00 0.00 C ATOM 581 OH TYR A 69 7.075 -3.045 2.990 1.00 0.00 O ATOM 0 H TYR A 69 9.626 4.592 4.815 1.00 0.00 H new ATOM 0 HA TYR A 69 7.480 2.584 5.150 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.191 2.687 3.124 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.303 1.982 4.280 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.634 1.381 3.748 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.562 -0.271 3.695 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.692 -0.841 3.300 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.622 -2.493 3.241 1.00 0.00 H new ATOM 0 HH TYR A 69 7.737 -3.590 2.516 1.00 0.00 H new ATOM 591 N PRO A 70 8.248 2.322 7.528 1.00 0.00 N ATOM 592 CA PRO A 70 8.645 1.919 8.880 1.00 0.00 C ATOM 593 C PRO A 70 9.019 0.443 8.959 1.00 0.00 C ATOM 594 O PRO A 70 8.338 -0.411 8.391 1.00 0.00 O ATOM 595 CB PRO A 70 7.394 2.199 9.717 1.00 0.00 C ATOM 596 CG PRO A 70 6.265 2.120 8.747 1.00 0.00 C ATOM 597 CD PRO A 70 6.809 2.621 7.438 1.00 0.00 C ATOM 0 HA PRO A 70 9.531 2.455 9.221 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.281 1.467 10.517 1.00 0.00 H new ATOM 0 HB3 PRO A 70 7.444 3.181 10.188 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.902 1.096 8.653 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.423 2.728 9.078 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.346 2.115 6.591 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.628 3.688 7.310 1.00 0.00 H new ATOM 605 N ILE A 71 10.105 0.149 9.668 1.00 0.00 N ATOM 606 CA ILE A 71 10.567 -1.224 9.821 1.00 0.00 C ATOM 607 C ILE A 71 10.989 -1.504 11.260 1.00 0.00 C ATOM 608 O ILE A 71 11.600 -0.659 11.914 1.00 0.00 O ATOM 609 CB ILE A 71 11.750 -1.528 8.883 1.00 0.00 C ATOM 610 CG1 ILE A 71 11.332 -1.345 7.423 1.00 0.00 C ATOM 611 CG2 ILE A 71 12.264 -2.941 9.119 1.00 0.00 C ATOM 612 CD1 ILE A 71 10.551 -2.515 6.867 1.00 0.00 C ATOM 0 H ILE A 71 10.680 0.844 10.145 1.00 0.00 H new ATOM 0 HA ILE A 71 9.730 -1.870 9.557 1.00 0.00 H new ATOM 0 HB ILE A 71 12.556 -0.828 9.101 1.00 0.00 H new ATOM 0 HG12 ILE A 71 10.728 -0.442 7.337 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.223 -1.192 6.815 1.00 0.00 H new ATOM 0 HG21 ILE A 71 13.100 -3.141 8.449 1.00 0.00 H new ATOM 0 HG22 ILE A 71 12.596 -3.039 10.152 1.00 0.00 H new ATOM 0 HG23 ILE A 71 11.465 -3.656 8.925 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.288 -2.316 5.828 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.160 -3.417 6.921 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.641 -2.656 7.451 1.00 0.00 H new ATOM 624 N ASP A 72 10.660 -2.696 11.745 1.00 0.00 N ATOM 625 CA ASP A 72 11.007 -3.090 13.106 1.00 0.00 C ATOM 626 C ASP A 72 12.502 -3.368 13.227 1.00 0.00 C ATOM 627 O ASP A 72 13.111 -3.947 12.327 1.00 0.00 O ATOM 628 CB ASP A 72 10.211 -4.328 13.520 1.00 0.00 C ATOM 629 CG ASP A 72 8.806 -3.987 13.978 1.00 0.00 C ATOM 630 OD1 ASP A 72 8.666 -3.120 14.866 1.00 0.00 O ATOM 631 OD2 ASP A 72 7.847 -4.587 13.448 1.00 0.00 O ATOM 0 H ASP A 72 10.154 -3.406 11.216 1.00 0.00 H new ATOM 0 HA ASP A 72 10.754 -2.265 13.772 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.158 -5.020 12.680 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.737 -4.843 14.324 1.00 0.00 H new ATOM 636 N SER A 73 13.088 -2.951 14.344 1.00 0.00 N ATOM 637 CA SER A 73 14.513 -3.150 14.581 1.00 0.00 C ATOM 638 C SER A 73 14.775 -4.520 15.201 1.00 0.00 C ATOM 639 O SER A 73 15.918 -4.877 15.487 1.00 0.00 O ATOM 640 CB SER A 73 15.059 -2.052 15.495 1.00 0.00 C ATOM 641 OG SER A 73 14.795 -0.766 14.960 1.00 0.00 O ATOM 0 H SER A 73 12.598 -2.473 15.100 1.00 0.00 H new ATOM 0 HA SER A 73 15.025 -3.101 13.620 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.607 -2.138 16.483 1.00 0.00 H new ATOM 0 HB3 SER A 73 16.133 -2.182 15.624 1.00 0.00 H new ATOM 0 HG SER A 73 15.152 -0.081 15.563 1.00 0.00 H new ATOM 647 N LEU A 74 13.707 -5.282 15.407 1.00 0.00 N ATOM 648 CA LEU A 74 13.818 -6.613 15.994 1.00 0.00 C ATOM 649 C LEU A 74 13.635 -7.693 14.932 1.00 0.00 C ATOM 650 O LEU A 74 14.451 -8.608 14.813 1.00 0.00 O ATOM 651 CB LEU A 74 12.781 -6.791 17.104 1.00 0.00 C ATOM 652 CG LEU A 74 12.874 -5.810 18.273 1.00 0.00 C ATOM 653 CD1 LEU A 74 11.604 -5.853 19.108 1.00 0.00 C ATOM 654 CD2 LEU A 74 14.091 -6.119 19.133 1.00 0.00 C ATOM 0 H LEU A 74 12.754 -5.001 15.176 1.00 0.00 H new ATOM 0 HA LEU A 74 14.816 -6.714 16.420 1.00 0.00 H new ATOM 0 HB2 LEU A 74 11.788 -6.706 16.663 1.00 0.00 H new ATOM 0 HB3 LEU A 74 12.870 -7.804 17.498 1.00 0.00 H new ATOM 0 HG LEU A 74 12.985 -4.803 17.870 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.688 -5.148 19.935 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.751 -5.582 18.486 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.461 -6.859 19.502 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.141 -5.411 19.960 1.00 0.00 H new ATOM 0 HD22 LEU A 74 14.010 -7.132 19.527 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.994 -6.036 18.529 1.00 0.00 H new ATOM 666 N THR A 75 12.558 -7.581 14.161 1.00 0.00 N ATOM 667 CA THR A 75 12.267 -8.546 13.109 1.00 0.00 C ATOM 668 C THR A 75 12.709 -8.025 11.746 1.00 0.00 C ATOM 669 O THR A 75 12.526 -8.689 10.726 1.00 0.00 O ATOM 670 CB THR A 75 10.764 -8.882 13.054 1.00 0.00 C ATOM 671 OG1 THR A 75 10.070 -7.895 12.282 1.00 0.00 O ATOM 672 CG2 THR A 75 10.173 -8.946 14.454 1.00 0.00 C ATOM 0 H THR A 75 11.872 -6.831 14.246 1.00 0.00 H new ATOM 0 HA THR A 75 12.826 -9.451 13.348 1.00 0.00 H new ATOM 0 HB THR A 75 10.649 -9.858 12.583 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.116 -8.116 12.250 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.111 -9.185 14.390 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.684 -9.717 15.030 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.299 -7.982 14.947 1.00 0.00 H new ATOM 680 N LYS A 76 13.294 -6.832 11.736 1.00 0.00 N ATOM 681 CA LYS A 76 13.766 -6.221 10.499 1.00 0.00 C ATOM 682 C LYS A 76 12.712 -6.331 9.402 1.00 0.00 C ATOM 683 O LYS A 76 13.036 -6.332 8.214 1.00 0.00 O ATOM 684 CB LYS A 76 15.066 -6.885 10.041 1.00 0.00 C ATOM 685 CG LYS A 76 16.188 -6.793 11.060 1.00 0.00 C ATOM 686 CD LYS A 76 15.878 -7.605 12.307 1.00 0.00 C ATOM 687 CE LYS A 76 17.148 -8.127 12.962 1.00 0.00 C ATOM 688 NZ LYS A 76 16.964 -8.358 14.421 1.00 0.00 N ATOM 0 H LYS A 76 13.453 -6.269 12.571 1.00 0.00 H new ATOM 0 HA LYS A 76 13.954 -5.165 10.693 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.870 -7.935 9.822 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.393 -6.421 9.110 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.116 -7.150 10.614 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.347 -5.750 11.334 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.328 -6.987 13.017 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.231 -8.443 12.046 1.00 0.00 H new ATOM 0 HE2 LYS A 76 17.448 -9.058 12.482 1.00 0.00 H new ATOM 0 HE3 LYS A 76 17.957 -7.413 12.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.572 -7.705 14.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.970 -8.192 14.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.222 -9.339 14.652 1.00 0.00 H new ATOM 702 N LYS A 77 11.450 -6.421 9.807 1.00 0.00 N ATOM 703 CA LYS A 77 10.348 -6.528 8.859 1.00 0.00 C ATOM 704 C LYS A 77 9.258 -5.509 9.174 1.00 0.00 C ATOM 705 O LYS A 77 9.001 -5.177 10.331 1.00 0.00 O ATOM 706 CB LYS A 77 9.762 -7.942 8.884 1.00 0.00 C ATOM 707 CG LYS A 77 10.643 -8.978 8.208 1.00 0.00 C ATOM 708 CD LYS A 77 9.996 -10.353 8.218 1.00 0.00 C ATOM 709 CE LYS A 77 10.905 -11.401 7.596 1.00 0.00 C ATOM 710 NZ LYS A 77 11.014 -11.235 6.120 1.00 0.00 N ATOM 0 H LYS A 77 11.165 -6.422 10.786 1.00 0.00 H new ATOM 0 HA LYS A 77 10.738 -6.320 7.862 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.596 -8.239 9.920 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.788 -7.931 8.395 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.839 -8.675 7.180 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.606 -9.025 8.716 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.759 -10.637 9.243 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.054 -10.317 7.672 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.897 -11.333 8.043 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.521 -12.396 7.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.601 -11.998 5.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.065 -11.274 5.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.452 -10.316 5.905 1.00 0.00 H new ATOM 724 N PRO A 78 8.599 -5.001 8.121 1.00 0.00 N ATOM 725 CA PRO A 78 7.525 -4.013 8.262 1.00 0.00 C ATOM 726 C PRO A 78 6.267 -4.610 8.884 1.00 0.00 C ATOM 727 O PRO A 78 5.905 -5.753 8.604 1.00 0.00 O ATOM 728 CB PRO A 78 7.253 -3.579 6.819 1.00 0.00 C ATOM 729 CG PRO A 78 7.691 -4.733 5.986 1.00 0.00 C ATOM 730 CD PRO A 78 8.853 -5.351 6.714 1.00 0.00 C ATOM 0 HA PRO A 78 7.808 -3.194 8.923 1.00 0.00 H new ATOM 0 HB2 PRO A 78 6.197 -3.358 6.665 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.808 -2.675 6.566 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.882 -5.453 5.860 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.985 -4.405 4.989 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.890 -6.431 6.569 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.805 -4.950 6.366 1.00 0.00 H new ATOM 738 N LYS A 79 5.604 -3.829 9.731 1.00 0.00 N ATOM 739 CA LYS A 79 4.385 -4.279 10.393 1.00 0.00 C ATOM 740 C LYS A 79 3.231 -4.374 9.400 1.00 0.00 C ATOM 741 O LYS A 79 2.198 -4.975 9.692 1.00 0.00 O ATOM 742 CB LYS A 79 4.017 -3.324 11.530 1.00 0.00 C ATOM 743 CG LYS A 79 5.019 -3.321 12.672 1.00 0.00 C ATOM 744 CD LYS A 79 5.060 -1.975 13.375 1.00 0.00 C ATOM 745 CE LYS A 79 6.014 -1.994 14.559 1.00 0.00 C ATOM 746 NZ LYS A 79 5.599 -1.035 15.621 1.00 0.00 N ATOM 0 H LYS A 79 5.891 -2.881 9.975 1.00 0.00 H new ATOM 0 HA LYS A 79 4.569 -5.271 10.805 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.931 -2.313 11.131 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.036 -3.597 11.919 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.757 -4.099 13.389 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.010 -3.562 12.288 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.369 -1.204 12.669 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.059 -1.711 13.717 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.057 -3.001 14.975 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.020 -1.747 14.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.274 -1.078 16.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.583 -0.071 15.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.650 -1.286 15.964 1.00 0.00 H new ATOM 760 N GLY A 80 3.415 -3.778 8.226 1.00 0.00 N ATOM 761 CA GLY A 80 2.380 -3.809 7.209 1.00 0.00 C ATOM 762 C GLY A 80 1.675 -2.476 7.058 1.00 0.00 C ATOM 763 O GLY A 80 0.452 -2.425 6.925 1.00 0.00 O ATOM 0 H GLY A 80 4.262 -3.275 7.961 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.822 -4.093 6.254 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.649 -4.577 7.463 1.00 0.00 H new ATOM 767 N PHE A 81 2.446 -1.394 7.081 1.00 0.00 N ATOM 768 CA PHE A 81 1.887 -0.054 6.949 1.00 0.00 C ATOM 769 C PHE A 81 2.960 0.943 6.519 1.00 0.00 C ATOM 770 O PHE A 81 4.132 0.795 6.862 1.00 0.00 O ATOM 771 CB PHE A 81 1.260 0.393 8.271 1.00 0.00 C ATOM 772 CG PHE A 81 2.239 1.031 9.214 1.00 0.00 C ATOM 773 CD1 PHE A 81 3.028 0.254 10.046 1.00 0.00 C ATOM 774 CD2 PHE A 81 2.371 2.410 9.267 1.00 0.00 C ATOM 775 CE1 PHE A 81 3.929 0.839 10.914 1.00 0.00 C ATOM 776 CE2 PHE A 81 3.271 3.001 10.134 1.00 0.00 C ATOM 777 CZ PHE A 81 4.052 2.214 10.958 1.00 0.00 C ATOM 0 H PHE A 81 3.460 -1.419 7.190 1.00 0.00 H new ATOM 0 HA PHE A 81 1.115 -0.084 6.181 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.456 1.099 8.062 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.807 -0.470 8.759 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.938 -0.822 10.016 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.764 3.030 8.624 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.537 0.221 11.558 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.363 4.077 10.167 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.757 2.673 11.635 1.00 0.00 H new ATOM 787 N ALA A 82 2.549 1.957 5.766 1.00 0.00 N ATOM 788 CA ALA A 82 3.473 2.979 5.291 1.00 0.00 C ATOM 789 C ALA A 82 2.727 4.240 4.866 1.00 0.00 C ATOM 790 O ALA A 82 1.511 4.218 4.673 1.00 0.00 O ATOM 791 CB ALA A 82 4.305 2.442 4.136 1.00 0.00 C ATOM 0 H ALA A 82 1.582 2.093 5.472 1.00 0.00 H new ATOM 0 HA ALA A 82 4.139 3.242 6.113 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.991 3.216 3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.875 1.575 4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.646 2.150 3.318 1.00 0.00 H new ATOM 797 N PHE A 83 3.462 5.337 4.723 1.00 0.00 N ATOM 798 CA PHE A 83 2.869 6.608 4.323 1.00 0.00 C ATOM 799 C PHE A 83 3.425 7.068 2.978 1.00 0.00 C ATOM 800 O PHE A 83 4.626 7.299 2.836 1.00 0.00 O ATOM 801 CB PHE A 83 3.131 7.675 5.388 1.00 0.00 C ATOM 802 CG PHE A 83 2.131 7.662 6.508 1.00 0.00 C ATOM 803 CD1 PHE A 83 0.961 8.399 6.418 1.00 0.00 C ATOM 804 CD2 PHE A 83 2.361 6.914 7.651 1.00 0.00 C ATOM 805 CE1 PHE A 83 0.038 8.390 7.447 1.00 0.00 C ATOM 806 CE2 PHE A 83 1.442 6.900 8.683 1.00 0.00 C ATOM 807 CZ PHE A 83 0.280 7.640 8.582 1.00 0.00 C ATOM 0 H PHE A 83 4.470 5.372 4.878 1.00 0.00 H new ATOM 0 HA PHE A 83 1.794 6.463 4.221 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.129 7.527 5.801 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.123 8.658 4.916 1.00 0.00 H new ATOM 0 HD1 PHE A 83 0.768 8.988 5.533 1.00 0.00 H new ATOM 0 HD2 PHE A 83 3.269 6.335 7.737 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.871 8.968 7.364 1.00 0.00 H new ATOM 0 HE2 PHE A 83 1.632 6.311 9.568 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.438 7.632 9.389 1.00 0.00 H new ATOM 817 N VAL A 84 2.541 7.198 1.993 1.00 0.00 N ATOM 818 CA VAL A 84 2.942 7.631 0.660 1.00 0.00 C ATOM 819 C VAL A 84 2.454 9.046 0.371 1.00 0.00 C ATOM 820 O VAL A 84 1.259 9.332 0.452 1.00 0.00 O ATOM 821 CB VAL A 84 2.399 6.682 -0.425 1.00 0.00 C ATOM 822 CG1 VAL A 84 2.720 7.217 -1.812 1.00 0.00 C ATOM 823 CG2 VAL A 84 2.966 5.282 -0.240 1.00 0.00 C ATOM 0 H VAL A 84 1.544 7.010 2.093 1.00 0.00 H new ATOM 0 HA VAL A 84 4.032 7.614 0.637 1.00 0.00 H new ATOM 0 HB VAL A 84 1.315 6.627 -0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.329 6.533 -2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.261 8.198 -1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.800 7.304 -1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.572 4.625 -1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.053 5.317 -0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.680 4.900 0.740 1.00 0.00 H new ATOM 833 N THR A 85 3.387 9.931 0.034 1.00 0.00 N ATOM 834 CA THR A 85 3.053 11.318 -0.266 1.00 0.00 C ATOM 835 C THR A 85 3.259 11.625 -1.744 1.00 0.00 C ATOM 836 O THR A 85 4.241 11.192 -2.348 1.00 0.00 O ATOM 837 CB THR A 85 3.900 12.293 0.573 1.00 0.00 C ATOM 838 OG1 THR A 85 3.662 12.076 1.968 1.00 0.00 O ATOM 839 CG2 THR A 85 3.575 13.736 0.216 1.00 0.00 C ATOM 0 H THR A 85 4.381 9.712 -0.038 1.00 0.00 H new ATOM 0 HA THR A 85 2.001 11.452 -0.013 1.00 0.00 H new ATOM 0 HB THR A 85 4.951 12.108 0.353 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.513 11.905 2.422 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.185 14.407 0.821 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.786 13.906 -0.840 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.520 13.930 0.411 1.00 0.00 H new ATOM 847 N PHE A 86 2.328 12.377 -2.323 1.00 0.00 N ATOM 848 CA PHE A 86 2.408 12.742 -3.732 1.00 0.00 C ATOM 849 C PHE A 86 2.751 14.220 -3.892 1.00 0.00 C ATOM 850 O PHE A 86 2.441 15.038 -3.026 1.00 0.00 O ATOM 851 CB PHE A 86 1.084 12.435 -4.436 1.00 0.00 C ATOM 852 CG PHE A 86 0.983 11.022 -4.934 1.00 0.00 C ATOM 853 CD1 PHE A 86 0.479 10.021 -4.120 1.00 0.00 C ATOM 854 CD2 PHE A 86 1.393 10.695 -6.217 1.00 0.00 C ATOM 855 CE1 PHE A 86 0.385 8.719 -4.576 1.00 0.00 C ATOM 856 CE2 PHE A 86 1.301 9.396 -6.678 1.00 0.00 C ATOM 857 CZ PHE A 86 0.797 8.406 -5.856 1.00 0.00 C ATOM 0 H PHE A 86 1.510 12.745 -1.838 1.00 0.00 H new ATOM 0 HA PHE A 86 3.201 12.151 -4.190 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.262 12.628 -3.747 1.00 0.00 H new ATOM 0 HB3 PHE A 86 0.962 13.118 -5.277 1.00 0.00 H new ATOM 0 HD1 PHE A 86 0.156 10.260 -3.118 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.789 11.464 -6.863 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -0.010 7.948 -3.932 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.623 9.154 -7.680 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.726 7.390 -6.214 1.00 0.00 H new ATOM 867 N MET A 87 3.394 14.555 -5.006 1.00 0.00 N ATOM 868 CA MET A 87 3.780 15.934 -5.280 1.00 0.00 C ATOM 869 C MET A 87 2.559 16.782 -5.623 1.00 0.00 C ATOM 870 O MET A 87 2.385 17.880 -5.094 1.00 0.00 O ATOM 871 CB MET A 87 4.790 15.985 -6.428 1.00 0.00 C ATOM 872 CG MET A 87 6.236 15.896 -5.970 1.00 0.00 C ATOM 873 SD MET A 87 6.956 17.513 -5.623 1.00 0.00 S ATOM 874 CE MET A 87 5.965 18.031 -4.224 1.00 0.00 C ATOM 0 H MET A 87 3.659 13.890 -5.733 1.00 0.00 H new ATOM 0 HA MET A 87 4.242 16.341 -4.381 1.00 0.00 H new ATOM 0 HB2 MET A 87 4.585 15.166 -7.118 1.00 0.00 H new ATOM 0 HB3 MET A 87 4.650 16.912 -6.983 1.00 0.00 H new ATOM 0 HG2 MET A 87 6.292 15.278 -5.074 1.00 0.00 H new ATOM 0 HG3 MET A 87 6.826 15.397 -6.739 1.00 0.00 H new ATOM 0 HE1 MET A 87 6.465 18.851 -3.708 1.00 0.00 H new ATOM 0 HE2 MET A 87 4.988 18.364 -4.574 1.00 0.00 H new ATOM 0 HE3 MET A 87 5.838 17.194 -3.538 1.00 0.00 H new ATOM 884 N PHE A 88 1.716 16.266 -6.511 1.00 0.00 N ATOM 885 CA PHE A 88 0.512 16.977 -6.925 1.00 0.00 C ATOM 886 C PHE A 88 -0.738 16.296 -6.375 1.00 0.00 C ATOM 887 O PHE A 88 -0.818 15.071 -6.280 1.00 0.00 O ATOM 888 CB PHE A 88 0.436 17.049 -8.452 1.00 0.00 C ATOM 889 CG PHE A 88 1.595 17.773 -9.076 1.00 0.00 C ATOM 890 CD1 PHE A 88 2.770 17.101 -9.373 1.00 0.00 C ATOM 891 CD2 PHE A 88 1.509 19.125 -9.365 1.00 0.00 C ATOM 892 CE1 PHE A 88 3.838 17.765 -9.948 1.00 0.00 C ATOM 893 CE2 PHE A 88 2.573 19.794 -9.940 1.00 0.00 C ATOM 894 CZ PHE A 88 3.739 19.113 -10.231 1.00 0.00 C ATOM 0 H PHE A 88 1.844 15.358 -6.958 1.00 0.00 H new ATOM 0 HA PHE A 88 0.561 17.989 -6.522 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.391 16.037 -8.854 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.490 17.547 -8.739 1.00 0.00 H new ATOM 0 HD1 PHE A 88 2.853 16.047 -9.153 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.600 19.663 -9.138 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.748 17.230 -10.175 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.493 20.848 -10.162 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.572 19.634 -10.679 1.00 0.00 H new ATOM 904 N PRO A 89 -1.738 17.108 -6.002 1.00 0.00 N ATOM 905 CA PRO A 89 -3.002 16.608 -5.454 1.00 0.00 C ATOM 906 C PRO A 89 -3.845 15.891 -6.503 1.00 0.00 C ATOM 907 O PRO A 89 -4.328 14.783 -6.272 1.00 0.00 O ATOM 908 CB PRO A 89 -3.709 17.879 -4.976 1.00 0.00 C ATOM 909 CG PRO A 89 -3.138 18.969 -5.816 1.00 0.00 C ATOM 910 CD PRO A 89 -1.711 18.578 -6.087 1.00 0.00 C ATOM 0 HA PRO A 89 -2.842 15.871 -4.667 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -4.789 17.804 -5.105 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.527 18.059 -3.917 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.696 19.078 -6.746 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.189 19.927 -5.299 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.381 18.918 -7.069 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -1.030 19.010 -5.354 1.00 0.00 H new ATOM 918 N GLU A 90 -4.017 16.531 -7.655 1.00 0.00 N ATOM 919 CA GLU A 90 -4.802 15.952 -8.739 1.00 0.00 C ATOM 920 C GLU A 90 -4.374 14.514 -9.014 1.00 0.00 C ATOM 921 O GLU A 90 -5.186 13.678 -9.415 1.00 0.00 O ATOM 922 CB GLU A 90 -4.654 16.791 -10.010 1.00 0.00 C ATOM 923 CG GLU A 90 -3.215 16.944 -10.475 1.00 0.00 C ATOM 924 CD GLU A 90 -2.538 18.165 -9.884 1.00 0.00 C ATOM 925 OE1 GLU A 90 -3.066 18.715 -8.894 1.00 0.00 O ATOM 926 OE2 GLU A 90 -1.480 18.570 -10.410 1.00 0.00 O ATOM 0 H GLU A 90 -3.624 17.449 -7.862 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.848 15.949 -8.433 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.238 16.332 -10.808 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.077 17.780 -9.834 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.652 16.052 -10.200 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.194 17.012 -11.563 1.00 0.00 H new ATOM 933 N HIS A 91 -3.094 14.231 -8.795 1.00 0.00 N ATOM 934 CA HIS A 91 -2.557 12.894 -9.019 1.00 0.00 C ATOM 935 C HIS A 91 -2.860 11.982 -7.834 1.00 0.00 C ATOM 936 O HIS A 91 -3.300 10.846 -8.009 1.00 0.00 O ATOM 937 CB HIS A 91 -1.048 12.960 -9.254 1.00 0.00 C ATOM 938 CG HIS A 91 -0.674 13.503 -10.599 1.00 0.00 C ATOM 939 ND1 HIS A 91 0.556 14.065 -10.869 1.00 0.00 N ATOM 940 CD2 HIS A 91 -1.377 13.566 -11.754 1.00 0.00 C ATOM 941 CE1 HIS A 91 0.593 14.452 -12.131 1.00 0.00 C ATOM 942 NE2 HIS A 91 -0.567 14.160 -12.691 1.00 0.00 N ATOM 0 H HIS A 91 -2.409 14.910 -8.463 1.00 0.00 H new ATOM 0 HA HIS A 91 -3.037 12.480 -9.906 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.595 13.582 -8.482 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.628 11.960 -9.145 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -2.386 13.215 -11.910 1.00 0.00 H new ATOM 0 HE1 HIS A 91 1.430 14.927 -12.622 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.820 14.345 -13.662 1.00 0.00 H new ATOM 951 N ALA A 92 -2.620 12.487 -6.628 1.00 0.00 N ATOM 952 CA ALA A 92 -2.868 11.719 -5.415 1.00 0.00 C ATOM 953 C ALA A 92 -4.280 11.141 -5.410 1.00 0.00 C ATOM 954 O ALA A 92 -4.540 10.117 -4.778 1.00 0.00 O ATOM 955 CB ALA A 92 -2.647 12.587 -4.185 1.00 0.00 C ATOM 0 H ALA A 92 -2.254 13.425 -6.466 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.163 10.888 -5.391 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.836 12.000 -3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.618 12.947 -4.174 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.328 13.437 -4.213 1.00 0.00 H new ATOM 961 N VAL A 93 -5.188 11.805 -6.117 1.00 0.00 N ATOM 962 CA VAL A 93 -6.574 11.357 -6.194 1.00 0.00 C ATOM 963 C VAL A 93 -6.714 10.164 -7.132 1.00 0.00 C ATOM 964 O VAL A 93 -7.313 9.148 -6.777 1.00 0.00 O ATOM 965 CB VAL A 93 -7.503 12.487 -6.677 1.00 0.00 C ATOM 966 CG1 VAL A 93 -8.919 11.969 -6.868 1.00 0.00 C ATOM 967 CG2 VAL A 93 -7.480 13.650 -5.696 1.00 0.00 C ATOM 0 H VAL A 93 -4.989 12.655 -6.645 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.867 11.061 -5.187 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.140 12.846 -7.640 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -9.561 12.781 -7.209 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.917 11.171 -7.611 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.296 11.582 -5.921 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.142 14.440 -6.052 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.818 13.308 -4.718 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.464 14.037 -5.614 1.00 0.00 H new ATOM 977 N LYS A 94 -6.157 10.292 -8.331 1.00 0.00 N ATOM 978 CA LYS A 94 -6.217 9.223 -9.322 1.00 0.00 C ATOM 979 C LYS A 94 -5.770 7.896 -8.718 1.00 0.00 C ATOM 980 O LYS A 94 -6.433 6.873 -8.885 1.00 0.00 O ATOM 981 CB LYS A 94 -5.341 9.568 -10.528 1.00 0.00 C ATOM 982 CG LYS A 94 -5.176 8.420 -11.508 1.00 0.00 C ATOM 983 CD LYS A 94 -3.866 8.521 -12.271 1.00 0.00 C ATOM 984 CE LYS A 94 -3.825 7.550 -13.440 1.00 0.00 C ATOM 985 NZ LYS A 94 -2.986 8.063 -14.558 1.00 0.00 N ATOM 0 H LYS A 94 -5.658 11.126 -8.641 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.252 9.123 -9.650 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.775 10.421 -11.050 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.357 9.878 -10.175 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.212 7.473 -10.970 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.009 8.419 -12.212 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.735 9.539 -12.638 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.034 8.316 -11.597 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.433 6.591 -13.102 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.838 7.371 -13.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.984 7.372 -15.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.375 8.966 -14.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.013 8.210 -14.222 1.00 0.00 H new ATOM 999 N ALA A 95 -4.642 7.921 -8.015 1.00 0.00 N ATOM 1000 CA ALA A 95 -4.109 6.720 -7.384 1.00 0.00 C ATOM 1001 C ALA A 95 -5.050 6.206 -6.299 1.00 0.00 C ATOM 1002 O ALA A 95 -5.432 5.036 -6.299 1.00 0.00 O ATOM 1003 CB ALA A 95 -2.731 6.998 -6.802 1.00 0.00 C ATOM 0 H ALA A 95 -4.080 8.760 -7.868 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.020 5.947 -8.147 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.344 6.093 -6.334 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.056 7.311 -7.599 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.804 7.790 -6.056 1.00 0.00 H new ATOM 1009 N TYR A 96 -5.419 7.088 -5.376 1.00 0.00 N ATOM 1010 CA TYR A 96 -6.312 6.722 -4.284 1.00 0.00 C ATOM 1011 C TYR A 96 -7.592 6.085 -4.817 1.00 0.00 C ATOM 1012 O TYR A 96 -8.281 5.357 -4.103 1.00 0.00 O ATOM 1013 CB TYR A 96 -6.654 7.952 -3.443 1.00 0.00 C ATOM 1014 CG TYR A 96 -7.967 7.834 -2.702 1.00 0.00 C ATOM 1015 CD1 TYR A 96 -8.215 6.759 -1.857 1.00 0.00 C ATOM 1016 CD2 TYR A 96 -8.959 8.796 -2.847 1.00 0.00 C ATOM 1017 CE1 TYR A 96 -9.413 6.646 -1.179 1.00 0.00 C ATOM 1018 CE2 TYR A 96 -10.159 8.692 -2.171 1.00 0.00 C ATOM 1019 CZ TYR A 96 -10.382 7.615 -1.338 1.00 0.00 C ATOM 1020 OH TYR A 96 -11.577 7.507 -0.665 1.00 0.00 O ATOM 0 H TYR A 96 -5.113 8.061 -5.363 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.798 5.993 -3.657 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.854 8.123 -2.723 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.690 8.827 -4.092 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.458 5.999 -1.728 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -8.789 9.640 -3.500 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.590 5.803 -0.527 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -10.919 9.450 -2.294 1.00 0.00 H new ATOM 0 HH TYR A 96 -12.148 8.272 -0.887 1.00 0.00 H new ATOM 1030 N ALA A 97 -7.903 6.364 -6.079 1.00 0.00 N ATOM 1031 CA ALA A 97 -9.098 5.818 -6.710 1.00 0.00 C ATOM 1032 C ALA A 97 -8.854 4.398 -7.210 1.00 0.00 C ATOM 1033 O ALA A 97 -9.729 3.539 -7.116 1.00 0.00 O ATOM 1034 CB ALA A 97 -9.546 6.713 -7.856 1.00 0.00 C ATOM 0 H ALA A 97 -7.344 6.965 -6.684 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.890 5.781 -5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.439 6.293 -8.318 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -9.769 7.709 -7.474 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.751 6.779 -8.598 1.00 0.00 H new ATOM 1040 N GLU A 98 -7.659 4.160 -7.742 1.00 0.00 N ATOM 1041 CA GLU A 98 -7.302 2.844 -8.258 1.00 0.00 C ATOM 1042 C GLU A 98 -6.679 1.981 -7.164 1.00 0.00 C ATOM 1043 O GLU A 98 -7.189 0.909 -6.838 1.00 0.00 O ATOM 1044 CB GLU A 98 -6.329 2.979 -9.432 1.00 0.00 C ATOM 1045 CG GLU A 98 -6.951 3.605 -10.669 1.00 0.00 C ATOM 1046 CD GLU A 98 -7.625 2.583 -11.564 1.00 0.00 C ATOM 1047 OE1 GLU A 98 -8.652 2.010 -11.142 1.00 0.00 O ATOM 1048 OE2 GLU A 98 -7.125 2.355 -12.686 1.00 0.00 O ATOM 0 H GLU A 98 -6.923 4.861 -7.827 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.214 2.358 -8.605 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.477 3.582 -9.119 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.944 1.992 -9.689 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.682 4.354 -10.364 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.179 4.126 -11.236 1.00 0.00 H new ATOM 1055 N VAL A 99 -5.573 2.456 -6.602 1.00 0.00 N ATOM 1056 CA VAL A 99 -4.880 1.730 -5.544 1.00 0.00 C ATOM 1057 C VAL A 99 -5.867 1.153 -4.536 1.00 0.00 C ATOM 1058 O VAL A 99 -5.926 -0.060 -4.334 1.00 0.00 O ATOM 1059 CB VAL A 99 -3.878 2.636 -4.804 1.00 0.00 C ATOM 1060 CG1 VAL A 99 -3.152 1.855 -3.719 1.00 0.00 C ATOM 1061 CG2 VAL A 99 -2.889 3.247 -5.785 1.00 0.00 C ATOM 0 H VAL A 99 -5.137 3.341 -6.861 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.336 0.916 -6.023 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.430 3.446 -4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.448 2.511 -3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.876 1.470 -3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.610 1.024 -4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.188 3.884 -5.246 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.341 2.453 -6.292 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.428 3.843 -6.522 1.00 0.00 H new ATOM 1071 N ASP A 100 -6.642 2.030 -3.907 1.00 0.00 N ATOM 1072 CA ASP A 100 -7.629 1.608 -2.920 1.00 0.00 C ATOM 1073 C ASP A 100 -8.420 0.404 -3.423 1.00 0.00 C ATOM 1074 O ASP A 100 -9.248 0.525 -4.324 1.00 0.00 O ATOM 1075 CB ASP A 100 -8.581 2.760 -2.595 1.00 0.00 C ATOM 1076 CG ASP A 100 -9.587 2.394 -1.521 1.00 0.00 C ATOM 1077 OD1 ASP A 100 -9.192 1.735 -0.537 1.00 0.00 O ATOM 1078 OD2 ASP A 100 -10.770 2.767 -1.665 1.00 0.00 O ATOM 0 H ASP A 100 -6.606 3.037 -4.063 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.099 1.318 -2.013 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.003 3.624 -2.268 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -9.111 3.056 -3.500 1.00 0.00 H new ATOM 1083 N GLY A 101 -8.156 -0.759 -2.833 1.00 0.00 N ATOM 1084 CA GLY A 101 -8.851 -1.968 -3.236 1.00 0.00 C ATOM 1085 C GLY A 101 -8.017 -2.836 -4.158 1.00 0.00 C ATOM 1086 O GLY A 101 -8.538 -3.747 -4.801 1.00 0.00 O ATOM 0 H GLY A 101 -7.474 -0.885 -2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.122 -2.541 -2.349 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.781 -1.699 -3.738 1.00 0.00 H new ATOM 1090 N GLN A 102 -6.721 -2.552 -4.223 1.00 0.00 N ATOM 1091 CA GLN A 102 -5.815 -3.312 -5.075 1.00 0.00 C ATOM 1092 C GLN A 102 -5.086 -4.386 -4.274 1.00 0.00 C ATOM 1093 O GLN A 102 -5.015 -4.318 -3.047 1.00 0.00 O ATOM 1094 CB GLN A 102 -4.801 -2.379 -5.739 1.00 0.00 C ATOM 1095 CG GLN A 102 -3.674 -1.948 -4.815 1.00 0.00 C ATOM 1096 CD GLN A 102 -2.493 -1.365 -5.566 1.00 0.00 C ATOM 1097 OE1 GLN A 102 -1.649 -0.624 -4.859 1.00 0.00 O flip ATOM 1098 NE2 GLN A 102 -2.342 -1.578 -6.770 1.00 0.00 N flip ATOM 0 H GLN A 102 -6.275 -1.801 -3.696 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.409 -3.801 -5.848 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.375 -2.879 -6.609 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.320 -1.492 -6.103 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.051 -1.208 -4.109 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.340 -2.806 -4.231 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.016 -2.154 -7.274 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.543 -1.178 -7.262 1.00 0.00 H new ATOM 1107 N VAL A 103 -4.545 -5.377 -4.976 1.00 0.00 N ATOM 1108 CA VAL A 103 -3.821 -6.465 -4.330 1.00 0.00 C ATOM 1109 C VAL A 103 -2.349 -6.456 -4.726 1.00 0.00 C ATOM 1110 O VAL A 103 -2.012 -6.327 -5.903 1.00 0.00 O ATOM 1111 CB VAL A 103 -4.429 -7.834 -4.687 1.00 0.00 C ATOM 1112 CG1 VAL A 103 -3.569 -8.961 -4.136 1.00 0.00 C ATOM 1113 CG2 VAL A 103 -5.854 -7.936 -4.164 1.00 0.00 C ATOM 0 H VAL A 103 -4.595 -5.448 -5.992 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.906 -6.308 -3.255 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.456 -7.928 -5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.015 -9.920 -4.398 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.568 -8.897 -4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.507 -8.874 -3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.269 -8.910 -4.425 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.853 -7.821 -3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.463 -7.151 -4.612 1.00 0.00 H new ATOM 1123 N PHE A 104 -1.474 -6.595 -3.735 1.00 0.00 N ATOM 1124 CA PHE A 104 -0.037 -6.603 -3.979 1.00 0.00 C ATOM 1125 C PHE A 104 0.642 -7.722 -3.194 1.00 0.00 C ATOM 1126 O PHE A 104 0.770 -7.647 -1.973 1.00 0.00 O ATOM 1127 CB PHE A 104 0.574 -5.254 -3.597 1.00 0.00 C ATOM 1128 CG PHE A 104 1.995 -5.087 -4.057 1.00 0.00 C ATOM 1129 CD1 PHE A 104 2.318 -5.190 -5.400 1.00 0.00 C ATOM 1130 CD2 PHE A 104 3.006 -4.828 -3.146 1.00 0.00 C ATOM 1131 CE1 PHE A 104 3.624 -5.037 -5.827 1.00 0.00 C ATOM 1132 CE2 PHE A 104 4.313 -4.673 -3.567 1.00 0.00 C ATOM 1133 CZ PHE A 104 4.623 -4.779 -4.908 1.00 0.00 C ATOM 0 H PHE A 104 -1.736 -6.704 -2.755 1.00 0.00 H new ATOM 0 HA PHE A 104 0.125 -6.779 -5.042 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.033 -4.455 -4.023 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.536 -5.141 -2.514 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.541 -5.392 -6.122 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.770 -4.746 -2.095 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.863 -5.119 -6.877 1.00 0.00 H new ATOM 0 HE2 PHE A 104 5.092 -4.469 -2.847 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.644 -4.660 -5.238 1.00 0.00 H new ATOM 1143 N GLN A 105 1.075 -8.758 -3.906 1.00 0.00 N ATOM 1144 CA GLN A 105 1.739 -9.893 -3.276 1.00 0.00 C ATOM 1145 C GLN A 105 0.781 -10.643 -2.357 1.00 0.00 C ATOM 1146 O GLN A 105 1.180 -11.155 -1.312 1.00 0.00 O ATOM 1147 CB GLN A 105 2.960 -9.421 -2.484 1.00 0.00 C ATOM 1148 CG GLN A 105 3.962 -8.640 -3.318 1.00 0.00 C ATOM 1149 CD GLN A 105 4.918 -9.540 -4.076 1.00 0.00 C ATOM 1150 OE1 GLN A 105 4.564 -10.652 -4.467 1.00 0.00 O ATOM 1151 NE2 GLN A 105 6.139 -9.062 -4.287 1.00 0.00 N ATOM 0 H GLN A 105 0.978 -8.835 -4.918 1.00 0.00 H new ATOM 0 HA GLN A 105 2.066 -10.573 -4.063 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.626 -8.797 -1.655 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.458 -10.288 -2.050 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.426 -8.008 -4.026 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.532 -7.977 -2.667 1.00 0.00 H new ATOM 0 HE21 GLN A 105 6.390 -8.134 -3.945 1.00 0.00 H new ATOM 0 HE22 GLN A 105 6.826 -9.623 -4.791 1.00 0.00 H new ATOM 1160 N GLY A 106 -0.486 -10.705 -2.755 1.00 0.00 N ATOM 1161 CA GLY A 106 -1.482 -11.394 -1.955 1.00 0.00 C ATOM 1162 C GLY A 106 -1.879 -10.610 -0.720 1.00 0.00 C ATOM 1163 O GLY A 106 -2.261 -11.190 0.296 1.00 0.00 O ATOM 0 H GLY A 106 -0.841 -10.291 -3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -2.367 -11.580 -2.564 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.092 -12.367 -1.654 1.00 0.00 H new ATOM 1167 N ARG A 107 -1.787 -9.287 -0.807 1.00 0.00 N ATOM 1168 CA ARG A 107 -2.137 -8.421 0.313 1.00 0.00 C ATOM 1169 C ARG A 107 -2.993 -7.247 -0.153 1.00 0.00 C ATOM 1170 O ARG A 107 -2.524 -6.378 -0.887 1.00 0.00 O ATOM 1171 CB ARG A 107 -0.872 -7.903 0.999 1.00 0.00 C ATOM 1172 CG ARG A 107 -0.298 -8.866 2.025 1.00 0.00 C ATOM 1173 CD ARG A 107 -1.110 -8.859 3.311 1.00 0.00 C ATOM 1174 NE ARG A 107 -0.964 -10.107 4.057 1.00 0.00 N ATOM 1175 CZ ARG A 107 -1.825 -10.514 4.983 1.00 0.00 C ATOM 1176 NH1 ARG A 107 -2.887 -9.776 5.276 1.00 0.00 N ATOM 1177 NH2 ARG A 107 -1.624 -11.661 5.619 1.00 0.00 N ATOM 0 H ARG A 107 -1.473 -8.791 -1.641 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.715 -9.008 1.027 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -0.115 -7.699 0.241 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.096 -6.955 1.488 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -0.281 -9.874 1.610 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.734 -8.593 2.244 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.793 -8.024 3.936 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.162 -8.699 3.075 1.00 0.00 H new ATOM 0 HE ARG A 107 -0.157 -10.698 3.856 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -3.044 -8.893 4.790 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -3.546 -10.091 5.988 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -0.808 -12.231 5.397 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -2.286 -11.973 6.330 1.00 0.00 H new ATOM 1191 N MET A 108 -4.250 -7.231 0.277 1.00 0.00 N ATOM 1192 CA MET A 108 -5.171 -6.163 -0.096 1.00 0.00 C ATOM 1193 C MET A 108 -4.722 -4.828 0.489 1.00 0.00 C ATOM 1194 O MET A 108 -4.675 -4.658 1.708 1.00 0.00 O ATOM 1195 CB MET A 108 -6.587 -6.492 0.381 1.00 0.00 C ATOM 1196 CG MET A 108 -7.413 -7.250 -0.646 1.00 0.00 C ATOM 1197 SD MET A 108 -9.175 -6.884 -0.526 1.00 0.00 S ATOM 1198 CE MET A 108 -9.303 -5.473 -1.621 1.00 0.00 C ATOM 0 H MET A 108 -4.654 -7.945 0.883 1.00 0.00 H new ATOM 0 HA MET A 108 -5.171 -6.081 -1.183 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.526 -7.084 1.294 1.00 0.00 H new ATOM 0 HB3 MET A 108 -7.100 -5.565 0.636 1.00 0.00 H new ATOM 0 HG2 MET A 108 -7.061 -6.999 -1.647 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.258 -8.321 -0.513 1.00 0.00 H new ATOM 0 HE1 MET A 108 -10.337 -5.130 -1.653 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.665 -4.669 -1.254 1.00 0.00 H new ATOM 0 HE3 MET A 108 -8.985 -5.760 -2.623 1.00 0.00 H new ATOM 1208 N LEU A 109 -4.392 -3.885 -0.386 1.00 0.00 N ATOM 1209 CA LEU A 109 -3.946 -2.564 0.045 1.00 0.00 C ATOM 1210 C LEU A 109 -5.132 -1.627 0.245 1.00 0.00 C ATOM 1211 O LEU A 109 -5.905 -1.380 -0.682 1.00 0.00 O ATOM 1212 CB LEU A 109 -2.979 -1.971 -0.982 1.00 0.00 C ATOM 1213 CG LEU A 109 -1.809 -2.863 -1.396 1.00 0.00 C ATOM 1214 CD1 LEU A 109 -0.883 -2.121 -2.347 1.00 0.00 C ATOM 1215 CD2 LEU A 109 -1.045 -3.343 -0.170 1.00 0.00 C ATOM 0 H LEU A 109 -4.425 -4.010 -1.398 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.430 -2.675 0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.545 -1.711 -1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.576 -1.042 -0.578 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.207 -3.735 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.056 -2.772 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.437 -1.828 -3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.492 -1.231 -1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.215 -3.977 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.658 -2.483 0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.714 -3.913 0.475 1.00 0.00 H new ATOM 1227 N HIS A 110 -5.270 -1.105 1.459 1.00 0.00 N ATOM 1228 CA HIS A 110 -6.362 -0.192 1.780 1.00 0.00 C ATOM 1229 C HIS A 110 -5.862 1.248 1.852 1.00 0.00 C ATOM 1230 O HIS A 110 -5.086 1.602 2.740 1.00 0.00 O ATOM 1231 CB HIS A 110 -7.011 -0.586 3.107 1.00 0.00 C ATOM 1232 CG HIS A 110 -7.619 -1.955 3.093 1.00 0.00 C ATOM 1233 ND1 HIS A 110 -7.251 -3.080 2.438 1.00 0.00 N flip ATOM 1234 CD2 HIS A 110 -8.747 -2.284 3.815 1.00 0.00 C flip ATOM 1235 CE1 HIS A 110 -8.153 -4.060 2.773 1.00 0.00 C flip ATOM 1236 NE2 HIS A 110 -9.045 -3.554 3.606 1.00 0.00 N flip ATOM 0 H HIS A 110 -4.640 -1.298 2.237 1.00 0.00 H new ATOM 0 HA HIS A 110 -7.106 -0.261 0.986 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -6.261 -0.538 3.897 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -7.783 0.143 3.355 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -9.300 -1.609 4.452 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -8.136 -5.078 2.414 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -9.830 -4.058 4.018 1.00 0.00 H new ATOM 1245 N VAL A 111 -6.311 2.073 0.912 1.00 0.00 N ATOM 1246 CA VAL A 111 -5.910 3.474 0.869 1.00 0.00 C ATOM 1247 C VAL A 111 -7.042 4.384 1.330 1.00 0.00 C ATOM 1248 O VAL A 111 -8.185 4.243 0.891 1.00 0.00 O ATOM 1249 CB VAL A 111 -5.475 3.890 -0.549 1.00 0.00 C ATOM 1250 CG1 VAL A 111 -4.801 5.253 -0.522 1.00 0.00 C ATOM 1251 CG2 VAL A 111 -4.554 2.841 -1.153 1.00 0.00 C ATOM 0 H VAL A 111 -6.953 1.795 0.170 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.063 3.582 1.547 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.363 3.964 -1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.500 5.530 -1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.498 5.996 -0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.921 5.211 0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.257 3.151 -2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.667 2.732 -0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.077 1.886 -1.209 1.00 0.00 H new ATOM 1261 N LEU A 112 -6.719 5.319 2.217 1.00 0.00 N ATOM 1262 CA LEU A 112 -7.710 6.254 2.738 1.00 0.00 C ATOM 1263 C LEU A 112 -7.180 7.684 2.700 1.00 0.00 C ATOM 1264 O LEU A 112 -5.999 7.942 2.933 1.00 0.00 O ATOM 1265 CB LEU A 112 -8.092 5.877 4.170 1.00 0.00 C ATOM 1266 CG LEU A 112 -8.873 4.573 4.335 1.00 0.00 C ATOM 1267 CD1 LEU A 112 -8.950 4.179 5.802 1.00 0.00 C ATOM 1268 CD2 LEU A 112 -10.268 4.708 3.743 1.00 0.00 C ATOM 0 H LEU A 112 -5.779 5.450 2.590 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.596 6.197 2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.179 5.808 4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.685 6.688 4.592 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.346 3.786 3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.509 3.249 5.900 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.943 4.040 6.195 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.453 4.966 6.364 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -10.809 3.770 3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.804 5.508 4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -10.192 4.942 2.681 1.00 0.00 H new ATOM 1280 N PRO A 113 -8.074 8.639 2.402 1.00 0.00 N ATOM 1281 CA PRO A 113 -7.721 10.060 2.330 1.00 0.00 C ATOM 1282 C PRO A 113 -7.403 10.648 3.700 1.00 0.00 C ATOM 1283 O PRO A 113 -8.185 10.512 4.641 1.00 0.00 O ATOM 1284 CB PRO A 113 -8.979 10.709 1.748 1.00 0.00 C ATOM 1285 CG PRO A 113 -10.089 9.788 2.122 1.00 0.00 C ATOM 1286 CD PRO A 113 -9.499 8.405 2.113 1.00 0.00 C ATOM 0 HA PRO A 113 -6.824 10.228 1.734 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -9.136 11.706 2.159 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -8.903 10.819 0.666 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.487 10.036 3.106 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -10.915 9.865 1.415 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.962 7.766 2.865 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -9.638 7.915 1.149 1.00 0.00 H new ATOM 1294 N SER A 114 -6.251 11.303 3.806 1.00 0.00 N ATOM 1295 CA SER A 114 -5.829 11.910 5.062 1.00 0.00 C ATOM 1296 C SER A 114 -5.360 13.345 4.842 1.00 0.00 C ATOM 1297 O SER A 114 -4.724 13.656 3.835 1.00 0.00 O ATOM 1298 CB SER A 114 -4.707 11.087 5.699 1.00 0.00 C ATOM 1299 OG SER A 114 -4.333 11.621 6.957 1.00 0.00 O ATOM 0 H SER A 114 -5.593 11.427 3.036 1.00 0.00 H new ATOM 0 HA SER A 114 -6.686 11.926 5.735 1.00 0.00 H new ATOM 0 HB2 SER A 114 -5.034 10.054 5.822 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.842 11.071 5.036 1.00 0.00 H new ATOM 0 HG SER A 114 -3.616 11.076 7.344 1.00 0.00 H new ATOM 1305 N THR A 115 -5.679 14.217 5.793 1.00 0.00 N ATOM 1306 CA THR A 115 -5.292 15.620 5.705 1.00 0.00 C ATOM 1307 C THR A 115 -5.011 16.201 7.086 1.00 0.00 C ATOM 1308 O THR A 115 -5.132 15.509 8.097 1.00 0.00 O ATOM 1309 CB THR A 115 -6.385 16.461 5.019 1.00 0.00 C ATOM 1310 OG1 THR A 115 -7.627 16.313 5.715 1.00 0.00 O ATOM 1311 CG2 THR A 115 -6.559 16.042 3.567 1.00 0.00 C ATOM 0 H THR A 115 -6.205 13.977 6.633 1.00 0.00 H new ATOM 0 HA THR A 115 -4.382 15.660 5.106 1.00 0.00 H new ATOM 0 HB THR A 115 -6.077 17.506 5.045 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.316 16.852 5.273 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.336 16.650 3.104 1.00 0.00 H new ATOM 0 HG22 THR A 115 -5.620 16.184 3.032 1.00 0.00 H new ATOM 0 HG23 THR A 115 -6.846 14.991 3.523 1.00 0.00 H new ATOM 1319 N ILE A 116 -4.637 17.475 7.121 1.00 0.00 N ATOM 1320 CA ILE A 116 -4.341 18.150 8.379 1.00 0.00 C ATOM 1321 C ILE A 116 -5.613 18.678 9.032 1.00 0.00 C ATOM 1322 O ILE A 116 -6.327 19.498 8.454 1.00 0.00 O ATOM 1323 CB ILE A 116 -3.359 19.318 8.174 1.00 0.00 C ATOM 1324 CG1 ILE A 116 -2.024 18.802 7.633 1.00 0.00 C ATOM 1325 CG2 ILE A 116 -3.152 20.072 9.479 1.00 0.00 C ATOM 1326 CD1 ILE A 116 -1.962 18.753 6.122 1.00 0.00 C ATOM 0 H ILE A 116 -4.532 18.061 6.293 1.00 0.00 H new ATOM 0 HA ILE A 116 -3.880 17.410 9.033 1.00 0.00 H new ATOM 0 HB ILE A 116 -3.784 20.006 7.443 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -1.221 19.441 8.001 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -1.843 17.803 8.029 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -2.455 20.895 9.317 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -4.107 20.468 9.826 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -2.746 19.395 10.230 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -0.987 18.378 5.810 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -2.743 18.091 5.747 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -2.111 19.755 5.719 1.00 0.00 H new ATOM 1338 N LYS A 117 -5.891 18.205 10.242 1.00 0.00 N ATOM 1339 CA LYS A 117 -7.075 18.631 10.978 1.00 0.00 C ATOM 1340 C LYS A 117 -7.070 20.141 11.190 1.00 0.00 C ATOM 1341 O LYS A 117 -6.283 20.666 11.978 1.00 0.00 O ATOM 1342 CB LYS A 117 -7.146 17.916 12.329 1.00 0.00 C ATOM 1343 CG LYS A 117 -8.477 18.092 13.041 1.00 0.00 C ATOM 1344 CD LYS A 117 -8.471 17.425 14.406 1.00 0.00 C ATOM 1345 CE LYS A 117 -9.864 17.390 15.016 1.00 0.00 C ATOM 1346 NZ LYS A 117 -9.818 17.343 16.503 1.00 0.00 N ATOM 0 H LYS A 117 -5.311 17.525 10.734 1.00 0.00 H new ATOM 0 HA LYS A 117 -7.953 18.368 10.388 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.962 16.852 12.178 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -6.348 18.289 12.971 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -8.692 19.154 13.155 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -9.276 17.669 12.432 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -8.088 16.409 14.314 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -7.795 17.962 15.071 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -10.422 18.271 14.698 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -10.402 16.519 14.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -10.787 17.320 16.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -9.308 16.489 16.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -9.327 18.187 16.862 1.00 0.00 H new ATOM 1360 N LYS A 118 -7.954 20.837 10.482 1.00 0.00 N ATOM 1361 CA LYS A 118 -8.054 22.287 10.594 1.00 0.00 C ATOM 1362 C LYS A 118 -9.429 22.699 11.109 1.00 0.00 C ATOM 1363 O LYS A 118 -10.450 22.378 10.502 1.00 0.00 O ATOM 1364 CB LYS A 118 -7.787 22.943 9.238 1.00 0.00 C ATOM 1365 CG LYS A 118 -6.333 22.877 8.805 1.00 0.00 C ATOM 1366 CD LYS A 118 -5.460 23.798 9.641 1.00 0.00 C ATOM 1367 CE LYS A 118 -5.456 25.215 9.088 1.00 0.00 C ATOM 1368 NZ LYS A 118 -6.738 25.921 9.363 1.00 0.00 N ATOM 0 H LYS A 118 -8.612 20.419 9.824 1.00 0.00 H new ATOM 0 HA LYS A 118 -7.303 22.624 11.308 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -8.405 22.459 8.482 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -8.097 23.987 9.282 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -5.972 21.852 8.894 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -6.253 23.153 7.754 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -5.821 23.809 10.670 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -4.441 23.413 9.665 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -4.631 25.775 9.529 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -5.281 25.185 8.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -6.559 26.941 9.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -7.401 25.755 8.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -7.151 25.560 10.247 1.00 0.00 H new ATOM 1382 N GLU A 119 -9.447 23.414 12.230 1.00 0.00 N ATOM 1383 CA GLU A 119 -10.698 23.870 12.824 1.00 0.00 C ATOM 1384 C GLU A 119 -10.750 25.395 12.879 1.00 0.00 C ATOM 1385 O GLU A 119 -10.324 26.006 13.858 1.00 0.00 O ATOM 1386 CB GLU A 119 -10.860 23.293 14.232 1.00 0.00 C ATOM 1387 CG GLU A 119 -11.206 21.814 14.247 1.00 0.00 C ATOM 1388 CD GLU A 119 -12.026 21.418 15.460 1.00 0.00 C ATOM 1389 OE1 GLU A 119 -11.640 21.799 16.585 1.00 0.00 O ATOM 1390 OE2 GLU A 119 -13.052 20.729 15.284 1.00 0.00 O ATOM 0 H GLU A 119 -8.610 23.689 12.744 1.00 0.00 H new ATOM 0 HA GLU A 119 -11.518 23.517 12.198 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -9.935 23.447 14.787 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -11.641 23.846 14.754 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -11.760 21.565 13.342 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -10.286 21.229 14.228 1.00 0.00 H new ATOM 1397 N ALA A 120 -11.275 26.001 11.819 1.00 0.00 N ATOM 1398 CA ALA A 120 -11.384 27.453 11.747 1.00 0.00 C ATOM 1399 C ALA A 120 -12.325 27.877 10.624 1.00 0.00 C ATOM 1400 O ALA A 120 -12.454 27.184 9.614 1.00 0.00 O ATOM 1401 CB ALA A 120 -10.011 28.077 11.550 1.00 0.00 C ATOM 0 H ALA A 120 -11.631 25.510 10.999 1.00 0.00 H new ATOM 0 HA ALA A 120 -11.800 27.808 12.690 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -10.108 29.161 11.498 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -9.367 27.810 12.388 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -9.573 27.707 10.623 1.00 0.00 H new ATOM 1407 N SER A 121 -12.981 29.018 10.806 1.00 0.00 N ATOM 1408 CA SER A 121 -13.913 29.532 9.810 1.00 0.00 C ATOM 1409 C SER A 121 -13.173 30.295 8.716 1.00 0.00 C ATOM 1410 O SER A 121 -13.616 31.356 8.277 1.00 0.00 O ATOM 1411 CB SER A 121 -14.949 30.444 10.472 1.00 0.00 C ATOM 1412 OG SER A 121 -16.066 30.646 9.625 1.00 0.00 O ATOM 0 H SER A 121 -12.884 29.605 11.635 1.00 0.00 H new ATOM 0 HA SER A 121 -14.424 28.683 9.355 1.00 0.00 H new ATOM 0 HB2 SER A 121 -15.277 30.003 11.413 1.00 0.00 H new ATOM 0 HB3 SER A 121 -14.492 31.404 10.712 1.00 0.00 H new ATOM 0 HG SER A 121 -15.767 31.032 8.775 1.00 0.00 H new ATOM 1418 N GLN A 122 -12.044 29.746 8.280 1.00 0.00 N ATOM 1419 CA GLN A 122 -11.242 30.375 7.238 1.00 0.00 C ATOM 1420 C GLN A 122 -11.710 29.938 5.853 1.00 0.00 C ATOM 1421 O GLN A 122 -11.246 28.931 5.319 1.00 0.00 O ATOM 1422 CB GLN A 122 -9.764 30.026 7.423 1.00 0.00 C ATOM 1423 CG GLN A 122 -8.817 31.076 6.864 1.00 0.00 C ATOM 1424 CD GLN A 122 -8.680 32.282 7.773 1.00 0.00 C ATOM 1425 OE1 GLN A 122 -8.076 32.201 8.843 1.00 0.00 O ATOM 1426 NE2 GLN A 122 -9.241 33.409 7.350 1.00 0.00 N ATOM 0 H GLN A 122 -11.664 28.867 8.632 1.00 0.00 H new ATOM 0 HA GLN A 122 -11.367 31.455 7.320 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -9.561 29.894 8.486 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -9.561 29.071 6.939 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -7.835 30.629 6.710 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -9.176 31.401 5.888 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -9.732 33.430 6.456 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -9.181 34.253 7.919 1.00 0.00 H new ATOM 1435 N SER A 123 -12.632 30.703 5.277 1.00 0.00 N ATOM 1436 CA SER A 123 -13.166 30.393 3.956 1.00 0.00 C ATOM 1437 C SER A 123 -13.503 31.671 3.193 1.00 0.00 C ATOM 1438 O SER A 123 -14.425 32.399 3.556 1.00 0.00 O ATOM 1439 CB SER A 123 -14.413 29.516 4.080 1.00 0.00 C ATOM 1440 OG SER A 123 -14.064 28.167 4.337 1.00 0.00 O ATOM 0 H SER A 123 -13.025 31.542 5.704 1.00 0.00 H new ATOM 0 HA SER A 123 -12.402 29.849 3.400 1.00 0.00 H new ATOM 0 HB2 SER A 123 -15.046 29.891 4.884 1.00 0.00 H new ATOM 0 HB3 SER A 123 -14.996 29.575 3.161 1.00 0.00 H new ATOM 0 HG SER A 123 -13.108 28.110 4.543 1.00 0.00 H new ATOM 1446 N GLY A 124 -12.747 31.935 2.132 1.00 0.00 N ATOM 1447 CA GLY A 124 -12.979 33.124 1.333 1.00 0.00 C ATOM 1448 C GLY A 124 -13.619 32.808 -0.004 1.00 0.00 C ATOM 1449 O GLY A 124 -12.941 32.667 -1.023 1.00 0.00 O ATOM 0 H GLY A 124 -11.978 31.347 1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -13.620 33.810 1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -12.032 33.637 1.167 1.00 0.00 H new ATOM 1453 N PRO A 125 -14.955 32.691 -0.013 1.00 0.00 N ATOM 1454 CA PRO A 125 -15.715 32.388 -1.229 1.00 0.00 C ATOM 1455 C PRO A 125 -15.712 33.547 -2.219 1.00 0.00 C ATOM 1456 O PRO A 125 -15.726 34.713 -1.825 1.00 0.00 O ATOM 1457 CB PRO A 125 -17.131 32.133 -0.708 1.00 0.00 C ATOM 1458 CG PRO A 125 -17.207 32.895 0.570 1.00 0.00 C ATOM 1459 CD PRO A 125 -15.826 32.847 1.163 1.00 0.00 C ATOM 0 HA PRO A 125 -15.290 31.547 -1.776 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -17.882 32.476 -1.419 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -17.308 31.070 -0.546 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -17.520 33.924 0.393 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -17.938 32.451 1.246 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -15.595 33.757 1.717 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -15.716 32.014 1.858 1.00 0.00 H new ATOM 1467 N SER A 126 -15.694 33.219 -3.507 1.00 0.00 N ATOM 1468 CA SER A 126 -15.686 34.234 -4.554 1.00 0.00 C ATOM 1469 C SER A 126 -16.107 33.637 -5.894 1.00 0.00 C ATOM 1470 O SER A 126 -16.070 32.421 -6.083 1.00 0.00 O ATOM 1471 CB SER A 126 -14.295 34.860 -4.677 1.00 0.00 C ATOM 1472 OG SER A 126 -13.312 33.871 -4.931 1.00 0.00 O ATOM 0 H SER A 126 -15.685 32.259 -3.850 1.00 0.00 H new ATOM 0 HA SER A 126 -16.403 35.008 -4.280 1.00 0.00 H new ATOM 0 HB2 SER A 126 -14.293 35.595 -5.482 1.00 0.00 H new ATOM 0 HB3 SER A 126 -14.050 35.393 -3.758 1.00 0.00 H new ATOM 0 HG SER A 126 -12.432 34.296 -5.007 1.00 0.00 H new ATOM 1478 N SER A 127 -16.508 34.501 -6.820 1.00 0.00 N ATOM 1479 CA SER A 127 -16.941 34.060 -8.141 1.00 0.00 C ATOM 1480 C SER A 127 -15.885 34.382 -9.194 1.00 0.00 C ATOM 1481 O SER A 127 -15.783 35.515 -9.662 1.00 0.00 O ATOM 1482 CB SER A 127 -18.268 34.723 -8.514 1.00 0.00 C ATOM 1483 OG SER A 127 -19.285 34.386 -7.587 1.00 0.00 O ATOM 0 H SER A 127 -16.542 35.511 -6.680 1.00 0.00 H new ATOM 0 HA SER A 127 -17.080 32.979 -8.109 1.00 0.00 H new ATOM 0 HB2 SER A 127 -18.142 35.805 -8.543 1.00 0.00 H new ATOM 0 HB3 SER A 127 -18.566 34.410 -9.515 1.00 0.00 H new ATOM 0 HG SER A 127 -20.123 34.824 -7.847 1.00 0.00 H new ATOM 1489 N GLY A 128 -15.099 33.374 -9.562 1.00 0.00 N ATOM 1490 CA GLY A 128 -14.060 33.569 -10.557 1.00 0.00 C ATOM 1491 C GLY A 128 -12.693 33.147 -10.058 1.00 0.00 C ATOM 1492 O GLY A 128 -12.334 31.972 -10.128 1.00 0.00 O ATOM 0 H GLY A 128 -15.163 32.427 -9.189 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -14.308 33.000 -11.453 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -14.030 34.620 -10.845 1.00 0.00 H new TER 1496 GLY A 128