USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 779 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 GLN : amide:sc= -0.437 K(o=0.019,f=-9!) USER MOD Set 1.2: A 67 ASN :FLIP amide:sc= 0.456 F(o=-3.8,f=0.019) USER MOD Set 2.1: A 17 THR OG1 : rot 151:sc= 0.361! USER MOD Set 2.2: A 20 SER OG : rot 70:sc= 0.9 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00279 USER MOD Single : A 12 CYS SG : rot 160:sc= -1.09 USER MOD Single : A 13 HIS :FLIP no HE2:sc= -4.77! C(o=-6.8!,f=-4.8!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.255 X(o=-0.26,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 112:sc= 1.96 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -51:sc= 0.402 USER MOD Single : A 30 SER OG : rot 108:sc= 0.909 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 142:sc= -1.11 (180deg=-3.2!) USER MOD Single : A 42 LYS NZ :NH3+ -114:sc= -0.861 (180deg=-7.91!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 30:sc= 0 USER MOD Single : A 56 THR OG1 : rot 60:sc= 0.789 USER MOD Single : A 58 SER OG : rot 16:sc= 0.981 USER MOD Single : A 61 LYS NZ :NH3+ 155:sc= -0.0467 (180deg=-0.491) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -160:sc= 0.201 (180deg=0.127) USER MOD Single : A 74 SER OG : rot 180:sc= -0.124 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot -15:sc= -1.22 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 27:sc= -0.151 USER MOD Single : A 93 ASN : amide:sc= -0.42 X(o=-0.42,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.116 K(o=-0.12,f=-5.8!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 43:sc= 0.95 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.816 -14.432 5.767 1.00 0.00 N ATOM 2 CA GLY A 1 -24.078 -15.089 6.833 1.00 0.00 C ATOM 3 C GLY A 1 -22.655 -14.537 6.935 1.00 0.00 C ATOM 4 O GLY A 1 -22.432 -13.493 7.545 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.778 -14.824 5.718 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.867 -13.411 5.958 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.331 -14.590 4.861 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.596 -14.946 7.781 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.043 -16.163 6.648 1.00 0.00 H new ATOM 8 N SER A 2 -21.728 -15.264 6.327 1.00 0.00 N ATOM 9 CA SER A 2 -20.332 -14.860 6.342 1.00 0.00 C ATOM 10 C SER A 2 -19.756 -14.918 4.926 1.00 0.00 C ATOM 11 O SER A 2 -19.869 -15.937 4.247 1.00 0.00 O ATOM 12 CB SER A 2 -19.513 -15.744 7.285 1.00 0.00 C ATOM 13 OG SER A 2 -19.152 -15.057 8.481 1.00 0.00 O ATOM 0 H SER A 2 -21.916 -16.130 5.821 1.00 0.00 H new ATOM 0 HA SER A 2 -20.276 -13.835 6.709 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.088 -16.635 7.538 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.611 -16.081 6.774 1.00 0.00 H new ATOM 0 HG SER A 2 -18.632 -15.655 9.057 1.00 0.00 H new ATOM 19 N SER A 3 -19.149 -13.811 4.523 1.00 0.00 N ATOM 20 CA SER A 3 -18.555 -13.723 3.200 1.00 0.00 C ATOM 21 C SER A 3 -17.081 -14.132 3.260 1.00 0.00 C ATOM 22 O SER A 3 -16.365 -13.751 4.185 1.00 0.00 O ATOM 23 CB SER A 3 -18.691 -12.311 2.627 1.00 0.00 C ATOM 24 OG SER A 3 -18.202 -11.321 3.527 1.00 0.00 O ATOM 0 H SER A 3 -19.056 -12.968 5.089 1.00 0.00 H new ATOM 0 HA SER A 3 -19.089 -14.406 2.540 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.144 -12.247 1.686 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.738 -12.110 2.402 1.00 0.00 H new ATOM 0 HG SER A 3 -18.305 -10.433 3.124 1.00 0.00 H new ATOM 30 N GLY A 4 -16.672 -14.901 2.262 1.00 0.00 N ATOM 31 CA GLY A 4 -15.297 -15.365 2.190 1.00 0.00 C ATOM 32 C GLY A 4 -15.234 -16.824 1.735 1.00 0.00 C ATOM 33 O GLY A 4 -15.651 -17.724 2.463 1.00 0.00 O ATOM 0 H GLY A 4 -17.269 -15.215 1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.734 -14.740 1.497 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.824 -15.264 3.167 1.00 0.00 H new ATOM 37 N SER A 5 -14.709 -17.014 0.533 1.00 0.00 N ATOM 38 CA SER A 5 -14.586 -18.349 -0.027 1.00 0.00 C ATOM 39 C SER A 5 -13.184 -18.546 -0.607 1.00 0.00 C ATOM 40 O SER A 5 -12.536 -17.583 -1.014 1.00 0.00 O ATOM 41 CB SER A 5 -15.645 -18.594 -1.104 1.00 0.00 C ATOM 42 OG SER A 5 -15.385 -17.846 -2.289 1.00 0.00 O ATOM 0 H SER A 5 -14.364 -16.266 -0.068 1.00 0.00 H new ATOM 0 HA SER A 5 -14.746 -19.072 0.773 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.677 -19.656 -1.346 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.627 -18.326 -0.714 1.00 0.00 H new ATOM 0 HG SER A 5 -16.082 -18.031 -2.952 1.00 0.00 H new ATOM 48 N SER A 6 -12.757 -19.800 -0.627 1.00 0.00 N ATOM 49 CA SER A 6 -11.444 -20.136 -1.150 1.00 0.00 C ATOM 50 C SER A 6 -11.499 -20.239 -2.675 1.00 0.00 C ATOM 51 O SER A 6 -12.579 -20.228 -3.263 1.00 0.00 O ATOM 52 CB SER A 6 -10.929 -21.444 -0.547 1.00 0.00 C ATOM 53 OG SER A 6 -11.898 -22.487 -0.627 1.00 0.00 O ATOM 0 H SER A 6 -13.298 -20.596 -0.289 1.00 0.00 H new ATOM 0 HA SER A 6 -10.751 -19.342 -0.871 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.022 -21.751 -1.068 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.658 -21.280 0.496 1.00 0.00 H new ATOM 0 HG SER A 6 -11.531 -23.306 -0.233 1.00 0.00 H new ATOM 59 N GLY A 7 -10.320 -20.336 -3.273 1.00 0.00 N ATOM 60 CA GLY A 7 -10.221 -20.441 -4.719 1.00 0.00 C ATOM 61 C GLY A 7 -8.958 -19.746 -5.233 1.00 0.00 C ATOM 62 O GLY A 7 -8.025 -20.405 -5.689 1.00 0.00 O ATOM 0 H GLY A 7 -9.426 -20.344 -2.782 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.207 -21.491 -5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.101 -19.993 -5.181 1.00 0.00 H new ATOM 66 N GLU A 8 -8.971 -18.425 -5.142 1.00 0.00 N ATOM 67 CA GLU A 8 -7.839 -17.633 -5.593 1.00 0.00 C ATOM 68 C GLU A 8 -6.976 -17.214 -4.401 1.00 0.00 C ATOM 69 O GLU A 8 -6.724 -16.027 -4.199 1.00 0.00 O ATOM 70 CB GLU A 8 -8.305 -16.412 -6.389 1.00 0.00 C ATOM 71 CG GLU A 8 -9.528 -15.767 -5.735 1.00 0.00 C ATOM 72 CD GLU A 8 -10.825 -16.353 -6.298 1.00 0.00 C ATOM 73 OE1 GLU A 8 -11.067 -16.139 -7.506 1.00 0.00 O ATOM 74 OE2 GLU A 8 -11.544 -17.002 -5.509 1.00 0.00 O ATOM 0 H GLU A 8 -9.747 -17.883 -4.763 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.232 -18.248 -6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.496 -15.684 -6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.548 -16.709 -7.409 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.493 -15.923 -4.657 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.509 -14.690 -5.902 1.00 0.00 H new ATOM 81 N GLU A 9 -6.547 -18.211 -3.642 1.00 0.00 N ATOM 82 CA GLU A 9 -5.717 -17.961 -2.476 1.00 0.00 C ATOM 83 C GLU A 9 -4.578 -17.003 -2.830 1.00 0.00 C ATOM 84 O GLU A 9 -3.692 -17.349 -3.610 1.00 0.00 O ATOM 85 CB GLU A 9 -5.174 -19.269 -1.898 1.00 0.00 C ATOM 86 CG GLU A 9 -6.175 -19.897 -0.926 1.00 0.00 C ATOM 87 CD GLU A 9 -6.105 -21.425 -0.977 1.00 0.00 C ATOM 88 OE1 GLU A 9 -4.973 -21.937 -1.113 1.00 0.00 O ATOM 89 OE2 GLU A 9 -7.186 -22.046 -0.879 1.00 0.00 O ATOM 0 H GLU A 9 -6.759 -19.194 -3.812 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.334 -17.492 -1.709 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.961 -19.967 -2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.232 -19.080 -1.383 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.967 -19.554 0.087 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.184 -19.567 -1.174 1.00 0.00 H new ATOM 96 N ILE A 10 -4.638 -15.819 -2.239 1.00 0.00 N ATOM 97 CA ILE A 10 -3.622 -14.809 -2.483 1.00 0.00 C ATOM 98 C ILE A 10 -3.875 -13.607 -1.570 1.00 0.00 C ATOM 99 O ILE A 10 -5.015 -13.334 -1.198 1.00 0.00 O ATOM 100 CB ILE A 10 -3.568 -14.450 -3.969 1.00 0.00 C ATOM 101 CG1 ILE A 10 -2.183 -13.931 -4.358 1.00 0.00 C ATOM 102 CG2 ILE A 10 -4.676 -13.460 -4.335 1.00 0.00 C ATOM 103 CD1 ILE A 10 -1.718 -14.545 -5.680 1.00 0.00 C ATOM 0 H ILE A 10 -5.374 -15.536 -1.592 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.634 -15.197 -2.236 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.745 -15.358 -4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.210 -12.845 -4.447 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.467 -14.169 -3.571 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.615 -13.222 -5.397 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.647 -13.905 -4.118 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.556 -12.548 -3.751 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.731 -14.159 -5.933 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.669 -15.629 -5.580 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.423 -14.285 -6.470 1.00 0.00 H new ATOM 115 N PHE A 11 -2.792 -12.922 -1.234 1.00 0.00 N ATOM 116 CA PHE A 11 -2.881 -11.756 -0.372 1.00 0.00 C ATOM 117 C PHE A 11 -2.103 -10.577 -0.960 1.00 0.00 C ATOM 118 O PHE A 11 -1.266 -10.760 -1.842 1.00 0.00 O ATOM 119 CB PHE A 11 -2.257 -12.144 0.971 1.00 0.00 C ATOM 120 CG PHE A 11 -3.280 -12.448 2.067 1.00 0.00 C ATOM 121 CD1 PHE A 11 -3.890 -13.663 2.110 1.00 0.00 C ATOM 122 CD2 PHE A 11 -3.579 -11.504 3.000 1.00 0.00 C ATOM 123 CE1 PHE A 11 -4.839 -13.945 3.127 1.00 0.00 C ATOM 124 CE2 PHE A 11 -4.528 -11.787 4.017 1.00 0.00 C ATOM 125 CZ PHE A 11 -5.138 -13.001 4.060 1.00 0.00 C ATOM 0 H PHE A 11 -1.848 -13.152 -1.543 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.922 -11.452 -0.265 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.624 -13.019 0.826 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.610 -11.334 1.307 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.652 -14.413 1.370 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.094 -10.539 2.967 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.324 -14.909 3.160 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.766 -11.037 4.757 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.860 -13.216 4.834 1.00 0.00 H new ATOM 135 N CYS A 12 -2.408 -9.394 -0.449 1.00 0.00 N ATOM 136 CA CYS A 12 -1.749 -8.185 -0.913 1.00 0.00 C ATOM 137 C CYS A 12 -1.134 -7.479 0.297 1.00 0.00 C ATOM 138 O CYS A 12 -1.841 -6.833 1.069 1.00 0.00 O ATOM 139 CB CYS A 12 -2.710 -7.274 -1.678 1.00 0.00 C ATOM 140 SG CYS A 12 -1.818 -5.800 -2.295 1.00 0.00 S ATOM 0 H CYS A 12 -3.103 -9.246 0.283 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.961 -8.446 -1.620 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.152 -7.817 -2.513 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.529 -6.968 -1.027 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.490 -5.263 -3.270 1.00 0.00 H new ATOM 146 N HIS A 13 0.177 -7.625 0.424 1.00 0.00 N ATOM 147 CA HIS A 13 0.895 -7.009 1.527 1.00 0.00 C ATOM 148 C HIS A 13 1.335 -5.599 1.129 1.00 0.00 C ATOM 149 O HIS A 13 2.246 -5.434 0.319 1.00 0.00 O ATOM 150 CB HIS A 13 2.063 -7.890 1.975 1.00 0.00 C ATOM 151 CG HIS A 13 1.696 -8.906 3.030 1.00 0.00 C ATOM 152 ND1 HIS A 13 1.194 -8.743 4.288 1.00 0.00 N flip ATOM 153 CD2 HIS A 13 1.837 -10.270 2.839 1.00 0.00 C flip ATOM 154 CE1 HIS A 13 1.035 -9.942 4.835 1.00 0.00 C flip ATOM 155 NE2 HIS A 13 1.434 -10.890 3.939 1.00 0.00 N flip ATOM 0 H HIS A 13 0.760 -8.161 -0.219 1.00 0.00 H new ATOM 0 HA HIS A 13 0.234 -6.916 2.389 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.465 -8.412 1.107 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.859 -7.252 2.360 1.00 0.00 H new ATOM 0 HD1 HIS A 13 0.978 -7.851 4.733 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.212 -10.748 1.946 1.00 0.00 H new ATOM 0 HE1 HIS A 13 0.653 -10.135 5.826 1.00 0.00 H new ATOM 163 N VAL A 14 0.668 -4.617 1.717 1.00 0.00 N ATOM 164 CA VAL A 14 0.978 -3.226 1.434 1.00 0.00 C ATOM 165 C VAL A 14 1.794 -2.644 2.591 1.00 0.00 C ATOM 166 O VAL A 14 1.380 -2.722 3.747 1.00 0.00 O ATOM 167 CB VAL A 14 -0.310 -2.447 1.159 1.00 0.00 C ATOM 168 CG1 VAL A 14 -1.287 -3.280 0.327 1.00 0.00 C ATOM 169 CG2 VAL A 14 -0.958 -1.983 2.465 1.00 0.00 C ATOM 0 H VAL A 14 -0.087 -4.757 2.389 1.00 0.00 H new ATOM 0 HA VAL A 14 1.588 -3.147 0.534 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.050 -1.561 0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.194 -2.703 0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.825 -3.539 -0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.539 -4.192 0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.872 -1.432 2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.198 -2.850 3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.266 -1.336 3.005 1.00 0.00 H new ATOM 179 N TYR A 15 2.937 -2.075 2.239 1.00 0.00 N ATOM 180 CA TYR A 15 3.814 -1.481 3.233 1.00 0.00 C ATOM 181 C TYR A 15 3.595 0.031 3.325 1.00 0.00 C ATOM 182 O TYR A 15 3.804 0.752 2.350 1.00 0.00 O ATOM 183 CB TYR A 15 5.241 -1.749 2.752 1.00 0.00 C ATOM 184 CG TYR A 15 5.739 -3.167 3.038 1.00 0.00 C ATOM 185 CD1 TYR A 15 4.855 -4.227 3.010 1.00 0.00 C ATOM 186 CD2 TYR A 15 7.071 -3.387 3.325 1.00 0.00 C ATOM 187 CE1 TYR A 15 5.323 -5.562 3.280 1.00 0.00 C ATOM 188 CE2 TYR A 15 7.539 -4.722 3.595 1.00 0.00 C ATOM 189 CZ TYR A 15 6.642 -5.743 3.559 1.00 0.00 C ATOM 190 OH TYR A 15 7.084 -7.004 3.814 1.00 0.00 O ATOM 0 H TYR A 15 3.276 -2.013 1.279 1.00 0.00 H new ATOM 0 HA TYR A 15 3.619 -1.905 4.218 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.292 -1.567 1.678 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.914 -1.036 3.228 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.813 -4.055 2.786 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.763 -2.558 3.347 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.642 -6.400 3.261 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.579 -4.908 3.821 1.00 0.00 H new ATOM 0 HH TYR A 15 8.047 -6.983 3.996 1.00 0.00 H new ATOM 200 N ILE A 16 3.177 0.466 4.504 1.00 0.00 N ATOM 201 CA ILE A 16 2.927 1.878 4.735 1.00 0.00 C ATOM 202 C ILE A 16 4.261 2.627 4.778 1.00 0.00 C ATOM 203 O ILE A 16 4.509 3.508 3.956 1.00 0.00 O ATOM 204 CB ILE A 16 2.071 2.073 5.988 1.00 0.00 C ATOM 205 CG1 ILE A 16 0.900 1.090 6.011 1.00 0.00 C ATOM 206 CG2 ILE A 16 1.604 3.525 6.113 1.00 0.00 C ATOM 207 CD1 ILE A 16 0.826 0.355 7.351 1.00 0.00 C ATOM 0 H ILE A 16 3.005 -0.135 5.310 1.00 0.00 H new ATOM 0 HA ILE A 16 2.349 2.302 3.914 1.00 0.00 H new ATOM 0 HB ILE A 16 2.689 1.858 6.860 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.033 1.626 5.834 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.011 0.368 5.202 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.998 3.636 7.012 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.471 4.182 6.177 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.010 3.793 5.239 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.016 -0.338 7.340 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.750 -0.200 7.513 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.691 1.078 8.155 1.00 0.00 H new ATOM 219 N THR A 17 5.084 2.250 5.746 1.00 0.00 N ATOM 220 CA THR A 17 6.385 2.875 5.907 1.00 0.00 C ATOM 221 C THR A 17 7.499 1.884 5.562 1.00 0.00 C ATOM 222 O THR A 17 7.404 1.156 4.575 1.00 0.00 O ATOM 223 CB THR A 17 6.476 3.418 7.334 1.00 0.00 C ATOM 224 OG1 THR A 17 6.773 2.270 8.124 1.00 0.00 O ATOM 225 CG2 THR A 17 5.123 3.896 7.866 1.00 0.00 C ATOM 0 H THR A 17 4.874 1.520 6.426 1.00 0.00 H new ATOM 0 HA THR A 17 6.510 3.710 5.218 1.00 0.00 H new ATOM 0 HB THR A 17 7.190 4.241 7.364 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.287 2.540 8.913 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.244 4.272 8.882 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.742 4.693 7.227 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.418 3.064 7.868 1.00 0.00 H new ATOM 233 N GLU A 18 8.529 1.887 6.396 1.00 0.00 N ATOM 234 CA GLU A 18 9.660 0.998 6.192 1.00 0.00 C ATOM 235 C GLU A 18 9.436 -0.323 6.930 1.00 0.00 C ATOM 236 O GLU A 18 9.813 -1.386 6.438 1.00 0.00 O ATOM 237 CB GLU A 18 10.965 1.660 6.636 1.00 0.00 C ATOM 238 CG GLU A 18 12.104 1.331 5.668 1.00 0.00 C ATOM 239 CD GLU A 18 12.719 2.607 5.091 1.00 0.00 C ATOM 240 OE1 GLU A 18 13.540 3.217 5.810 1.00 0.00 O ATOM 241 OE2 GLU A 18 12.354 2.944 3.943 1.00 0.00 O ATOM 0 H GLU A 18 8.604 2.491 7.214 1.00 0.00 H new ATOM 0 HA GLU A 18 9.743 0.787 5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.829 2.740 6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.226 1.321 7.639 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.871 0.755 6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.728 0.706 4.858 1.00 0.00 H new ATOM 248 N HIS A 19 8.822 -0.214 8.099 1.00 0.00 N ATOM 249 CA HIS A 19 8.543 -1.387 8.911 1.00 0.00 C ATOM 250 C HIS A 19 7.053 -1.430 9.256 1.00 0.00 C ATOM 251 O HIS A 19 6.677 -1.864 10.344 1.00 0.00 O ATOM 252 CB HIS A 19 9.440 -1.416 10.150 1.00 0.00 C ATOM 253 CG HIS A 19 10.873 -1.022 9.880 1.00 0.00 C ATOM 254 ND1 HIS A 19 11.805 -1.898 9.354 1.00 0.00 N ATOM 255 CD2 HIS A 19 11.521 0.163 10.069 1.00 0.00 C ATOM 256 CE1 HIS A 19 12.960 -1.259 9.236 1.00 0.00 C ATOM 257 NE2 HIS A 19 12.782 0.018 9.680 1.00 0.00 N ATOM 0 H HIS A 19 8.510 0.669 8.504 1.00 0.00 H new ATOM 0 HA HIS A 19 8.775 -2.289 8.345 1.00 0.00 H new ATOM 0 HB2 HIS A 19 9.025 -0.745 10.902 1.00 0.00 H new ATOM 0 HB3 HIS A 19 9.424 -2.420 10.574 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.083 1.066 10.467 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.880 -1.676 8.855 1.00 0.00 H new ATOM 0 HE2 HIS A 19 13.499 0.742 9.709 1.00 0.00 H new ATOM 265 N SER A 20 6.246 -0.973 8.310 1.00 0.00 N ATOM 266 CA SER A 20 4.806 -0.953 8.501 1.00 0.00 C ATOM 267 C SER A 20 4.101 -1.382 7.212 1.00 0.00 C ATOM 268 O SER A 20 4.433 -0.902 6.130 1.00 0.00 O ATOM 269 CB SER A 20 4.326 0.434 8.931 1.00 0.00 C ATOM 270 OG SER A 20 5.326 1.143 9.659 1.00 0.00 O ATOM 0 H SER A 20 6.562 -0.614 7.409 1.00 0.00 H new ATOM 0 HA SER A 20 4.557 -1.656 9.296 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.043 1.009 8.049 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.432 0.334 9.547 1.00 0.00 H new ATOM 0 HG SER A 20 6.058 1.388 9.055 1.00 0.00 H new ATOM 276 N TYR A 21 3.142 -2.282 7.371 1.00 0.00 N ATOM 277 CA TYR A 21 2.388 -2.781 6.234 1.00 0.00 C ATOM 278 C TYR A 21 1.072 -3.417 6.685 1.00 0.00 C ATOM 279 O TYR A 21 0.840 -3.592 7.881 1.00 0.00 O ATOM 280 CB TYR A 21 3.264 -3.854 5.586 1.00 0.00 C ATOM 281 CG TYR A 21 3.283 -5.183 6.344 1.00 0.00 C ATOM 282 CD1 TYR A 21 2.330 -6.145 6.074 1.00 0.00 C ATOM 283 CD2 TYR A 21 4.252 -5.420 7.297 1.00 0.00 C ATOM 284 CE1 TYR A 21 2.348 -7.396 6.788 1.00 0.00 C ATOM 285 CE2 TYR A 21 4.270 -6.671 8.011 1.00 0.00 C ATOM 286 CZ TYR A 21 3.317 -7.597 7.721 1.00 0.00 C ATOM 287 OH TYR A 21 3.334 -8.778 8.395 1.00 0.00 O ATOM 0 H TYR A 21 2.870 -2.679 8.270 1.00 0.00 H new ATOM 0 HA TYR A 21 2.145 -1.969 5.548 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.911 -4.032 4.570 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.284 -3.477 5.508 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.571 -5.960 5.328 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.997 -4.667 7.508 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.609 -8.157 6.587 1.00 0.00 H new ATOM 0 HE2 TYR A 21 5.023 -6.869 8.759 1.00 0.00 H new ATOM 0 HH TYR A 21 4.081 -8.782 9.029 1.00 0.00 H new ATOM 297 N VAL A 22 0.243 -3.746 5.704 1.00 0.00 N ATOM 298 CA VAL A 22 -1.044 -4.359 5.986 1.00 0.00 C ATOM 299 C VAL A 22 -1.427 -5.283 4.829 1.00 0.00 C ATOM 300 O VAL A 22 -1.439 -4.864 3.672 1.00 0.00 O ATOM 301 CB VAL A 22 -2.090 -3.277 6.258 1.00 0.00 C ATOM 302 CG1 VAL A 22 -1.991 -2.147 5.232 1.00 0.00 C ATOM 303 CG2 VAL A 22 -3.500 -3.872 6.285 1.00 0.00 C ATOM 0 H VAL A 22 0.438 -3.599 4.714 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.987 -4.971 6.886 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.886 -2.854 7.242 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.746 -1.391 5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.000 -1.695 5.283 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.156 -2.548 4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.225 -3.082 6.480 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.718 -4.335 5.323 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.563 -4.624 7.072 1.00 0.00 H new ATOM 313 N SER A 23 -1.730 -6.524 5.180 1.00 0.00 N ATOM 314 CA SER A 23 -2.113 -7.512 4.185 1.00 0.00 C ATOM 315 C SER A 23 -3.607 -7.394 3.879 1.00 0.00 C ATOM 316 O SER A 23 -4.378 -6.911 4.707 1.00 0.00 O ATOM 317 CB SER A 23 -1.778 -8.928 4.658 1.00 0.00 C ATOM 318 OG SER A 23 -2.884 -9.551 5.304 1.00 0.00 O ATOM 0 H SER A 23 -1.718 -6.868 6.140 1.00 0.00 H new ATOM 0 HA SER A 23 -1.546 -7.319 3.274 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.470 -9.532 3.804 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.932 -8.890 5.344 1.00 0.00 H new ATOM 0 HG SER A 23 -3.214 -10.288 4.749 1.00 0.00 H new ATOM 324 N VAL A 24 -3.972 -7.844 2.687 1.00 0.00 N ATOM 325 CA VAL A 24 -5.360 -7.795 2.261 1.00 0.00 C ATOM 326 C VAL A 24 -5.651 -8.988 1.348 1.00 0.00 C ATOM 327 O VAL A 24 -4.903 -9.252 0.408 1.00 0.00 O ATOM 328 CB VAL A 24 -5.657 -6.449 1.598 1.00 0.00 C ATOM 329 CG1 VAL A 24 -7.084 -6.411 1.049 1.00 0.00 C ATOM 330 CG2 VAL A 24 -5.413 -5.293 2.571 1.00 0.00 C ATOM 0 H VAL A 24 -3.330 -8.244 2.003 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.026 -7.873 3.120 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.972 -6.331 0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.269 -5.443 0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.210 -7.200 0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.792 -6.562 1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.631 -4.347 2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.062 -5.405 3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.372 -5.302 2.893 1.00 0.00 H new ATOM 340 N LYS A 25 -6.740 -9.677 1.658 1.00 0.00 N ATOM 341 CA LYS A 25 -7.139 -10.836 0.877 1.00 0.00 C ATOM 342 C LYS A 25 -7.610 -10.377 -0.505 1.00 0.00 C ATOM 343 O LYS A 25 -8.749 -9.942 -0.664 1.00 0.00 O ATOM 344 CB LYS A 25 -8.178 -11.662 1.637 1.00 0.00 C ATOM 345 CG LYS A 25 -8.360 -13.039 0.996 1.00 0.00 C ATOM 346 CD LYS A 25 -9.381 -13.875 1.770 1.00 0.00 C ATOM 347 CE LYS A 25 -9.045 -15.365 1.689 1.00 0.00 C ATOM 348 NZ LYS A 25 -10.274 -16.163 1.487 1.00 0.00 N ATOM 0 H LYS A 25 -7.358 -9.455 2.439 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.289 -11.501 0.720 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.866 -11.779 2.675 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.131 -11.133 1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.689 -12.922 -0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.403 -13.561 0.969 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.399 -13.559 2.813 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.379 -13.701 1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.350 -15.543 0.869 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.545 -15.681 2.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.028 -17.172 1.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.924 -16.006 2.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.735 -15.872 0.601 1.00 0.00 H new ATOM 362 N ALA A 26 -6.708 -10.488 -1.469 1.00 0.00 N ATOM 363 CA ALA A 26 -7.017 -10.090 -2.832 1.00 0.00 C ATOM 364 C ALA A 26 -7.335 -11.335 -3.663 1.00 0.00 C ATOM 365 O ALA A 26 -7.311 -12.452 -3.148 1.00 0.00 O ATOM 366 CB ALA A 26 -5.847 -9.289 -3.407 1.00 0.00 C ATOM 0 H ALA A 26 -5.763 -10.848 -1.333 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.896 -9.446 -2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.078 -8.990 -4.429 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.680 -8.400 -2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.948 -9.905 -3.404 1.00 0.00 H new ATOM 372 N LYS A 27 -7.627 -11.100 -4.934 1.00 0.00 N ATOM 373 CA LYS A 27 -7.950 -12.189 -5.841 1.00 0.00 C ATOM 374 C LYS A 27 -6.837 -12.327 -6.881 1.00 0.00 C ATOM 375 O LYS A 27 -5.895 -11.536 -6.897 1.00 0.00 O ATOM 376 CB LYS A 27 -9.339 -11.985 -6.449 1.00 0.00 C ATOM 377 CG LYS A 27 -10.345 -11.546 -5.383 1.00 0.00 C ATOM 378 CD LYS A 27 -10.592 -12.664 -4.368 1.00 0.00 C ATOM 379 CE LYS A 27 -10.709 -12.101 -2.950 1.00 0.00 C ATOM 380 NZ LYS A 27 -11.981 -11.361 -2.790 1.00 0.00 N ATOM 0 H LYS A 27 -7.647 -10.172 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.000 -13.134 -5.300 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.288 -11.234 -7.237 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.677 -12.912 -6.913 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.972 -10.660 -4.869 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.285 -11.267 -5.858 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.505 -13.200 -4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.776 -13.386 -4.411 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.660 -12.913 -2.225 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.868 -11.439 -2.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.045 -10.985 -1.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.013 -10.574 -3.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.780 -12.003 -2.966 1.00 0.00 H new ATOM 394 N VAL A 28 -6.983 -13.337 -7.726 1.00 0.00 N ATOM 395 CA VAL A 28 -6.002 -13.589 -8.768 1.00 0.00 C ATOM 396 C VAL A 28 -6.189 -12.571 -9.896 1.00 0.00 C ATOM 397 O VAL A 28 -5.391 -12.521 -10.830 1.00 0.00 O ATOM 398 CB VAL A 28 -6.107 -15.038 -9.247 1.00 0.00 C ATOM 399 CG1 VAL A 28 -7.361 -15.244 -10.099 1.00 0.00 C ATOM 400 CG2 VAL A 28 -4.849 -15.456 -10.011 1.00 0.00 C ATOM 0 H VAL A 28 -7.766 -13.991 -7.710 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.992 -13.462 -8.380 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.191 -15.676 -8.368 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.412 -16.282 -10.427 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.246 -15.006 -9.508 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.320 -14.590 -10.970 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.950 -16.490 -10.340 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.719 -14.810 -10.879 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.980 -15.366 -9.359 1.00 0.00 H new ATOM 410 N SER A 29 -7.249 -11.786 -9.771 1.00 0.00 N ATOM 411 CA SER A 29 -7.551 -10.773 -10.768 1.00 0.00 C ATOM 412 C SER A 29 -8.248 -9.581 -10.108 1.00 0.00 C ATOM 413 O SER A 29 -9.196 -9.028 -10.662 1.00 0.00 O ATOM 414 CB SER A 29 -8.423 -11.345 -11.887 1.00 0.00 C ATOM 415 OG SER A 29 -8.589 -10.421 -12.959 1.00 0.00 O ATOM 0 H SER A 29 -7.909 -11.831 -8.995 1.00 0.00 H new ATOM 0 HA SER A 29 -6.613 -10.438 -11.211 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.972 -12.262 -12.265 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.400 -11.613 -11.485 1.00 0.00 H new ATOM 0 HG SER A 29 -8.886 -9.557 -12.604 1.00 0.00 H new ATOM 421 N SER A 30 -7.750 -9.221 -8.934 1.00 0.00 N ATOM 422 CA SER A 30 -8.313 -8.105 -8.193 1.00 0.00 C ATOM 423 C SER A 30 -7.493 -6.839 -8.450 1.00 0.00 C ATOM 424 O SER A 30 -6.307 -6.918 -8.767 1.00 0.00 O ATOM 425 CB SER A 30 -8.365 -8.409 -6.695 1.00 0.00 C ATOM 426 OG SER A 30 -8.971 -7.352 -5.956 1.00 0.00 O ATOM 0 H SER A 30 -6.963 -9.682 -8.478 1.00 0.00 H new ATOM 0 HA SER A 30 -9.334 -7.945 -8.539 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.922 -9.331 -6.532 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.354 -8.577 -6.324 1.00 0.00 H new ATOM 0 HG SER A 30 -9.860 -7.632 -5.654 1.00 0.00 H new ATOM 432 N ILE A 31 -8.157 -5.702 -8.304 1.00 0.00 N ATOM 433 CA ILE A 31 -7.505 -4.422 -8.516 1.00 0.00 C ATOM 434 C ILE A 31 -6.911 -3.931 -7.194 1.00 0.00 C ATOM 435 O ILE A 31 -7.225 -4.467 -6.132 1.00 0.00 O ATOM 436 CB ILE A 31 -8.472 -3.428 -9.162 1.00 0.00 C ATOM 437 CG1 ILE A 31 -9.776 -3.337 -8.367 1.00 0.00 C ATOM 438 CG2 ILE A 31 -8.719 -3.778 -10.630 1.00 0.00 C ATOM 439 CD1 ILE A 31 -10.544 -2.061 -8.718 1.00 0.00 C ATOM 0 H ILE A 31 -9.141 -5.641 -8.041 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.678 -4.528 -9.218 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.012 -2.440 -9.140 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.396 -4.208 -8.577 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.557 -3.352 -7.299 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -9.410 -3.056 -11.065 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.775 -3.751 -11.174 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -9.148 -4.777 -10.698 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.467 -2.021 -8.139 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.931 -1.191 -8.484 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.783 -2.061 -9.782 1.00 0.00 H new ATOM 451 N ALA A 32 -6.063 -2.919 -7.302 1.00 0.00 N ATOM 452 CA ALA A 32 -5.423 -2.350 -6.128 1.00 0.00 C ATOM 453 C ALA A 32 -6.479 -1.669 -5.256 1.00 0.00 C ATOM 454 O ALA A 32 -6.435 -1.767 -4.031 1.00 0.00 O ATOM 455 CB ALA A 32 -4.318 -1.386 -6.566 1.00 0.00 C ATOM 0 H ALA A 32 -5.804 -2.478 -8.185 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.956 -3.132 -5.529 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.838 -0.959 -5.686 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.578 -1.925 -7.157 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.750 -0.586 -7.167 1.00 0.00 H new ATOM 461 N GLN A 33 -7.404 -0.993 -5.922 1.00 0.00 N ATOM 462 CA GLN A 33 -8.470 -0.295 -5.222 1.00 0.00 C ATOM 463 C GLN A 33 -9.137 -1.226 -4.207 1.00 0.00 C ATOM 464 O GLN A 33 -9.461 -0.809 -3.097 1.00 0.00 O ATOM 465 CB GLN A 33 -9.496 0.267 -6.208 1.00 0.00 C ATOM 466 CG GLN A 33 -10.722 0.811 -5.472 1.00 0.00 C ATOM 467 CD GLN A 33 -10.640 2.332 -5.319 1.00 0.00 C ATOM 468 OE1 GLN A 33 -11.193 3.090 -6.098 1.00 0.00 O ATOM 469 NE2 GLN A 33 -9.920 2.732 -4.275 1.00 0.00 N ATOM 0 H GLN A 33 -7.438 -0.914 -6.938 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.035 0.546 -4.682 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.040 1.061 -6.799 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.802 -0.514 -6.904 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.627 0.545 -6.019 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.796 0.346 -4.489 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.484 2.043 -3.662 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.804 3.728 -4.087 1.00 0.00 H new ATOM 478 N GLU A 34 -9.321 -2.470 -4.625 1.00 0.00 N ATOM 479 CA GLU A 34 -9.943 -3.463 -3.767 1.00 0.00 C ATOM 480 C GLU A 34 -9.096 -3.686 -2.512 1.00 0.00 C ATOM 481 O GLU A 34 -9.552 -4.308 -1.554 1.00 0.00 O ATOM 482 CB GLU A 34 -10.165 -4.777 -4.519 1.00 0.00 C ATOM 483 CG GLU A 34 -11.339 -4.660 -5.493 1.00 0.00 C ATOM 484 CD GLU A 34 -11.578 -5.982 -6.225 1.00 0.00 C ATOM 485 OE1 GLU A 34 -11.316 -7.033 -5.599 1.00 0.00 O ATOM 486 OE2 GLU A 34 -12.017 -5.913 -7.393 1.00 0.00 O ATOM 0 H GLU A 34 -9.050 -2.812 -5.547 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.920 -3.089 -3.461 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.260 -5.045 -5.065 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.357 -5.580 -3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.239 -4.373 -4.950 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.138 -3.870 -6.217 1.00 0.00 H new ATOM 493 N ILE A 35 -7.879 -3.165 -2.559 1.00 0.00 N ATOM 494 CA ILE A 35 -6.964 -3.299 -1.438 1.00 0.00 C ATOM 495 C ILE A 35 -6.926 -1.985 -0.656 1.00 0.00 C ATOM 496 O ILE A 35 -7.033 -1.984 0.570 1.00 0.00 O ATOM 497 CB ILE A 35 -5.590 -3.767 -1.921 1.00 0.00 C ATOM 498 CG1 ILE A 35 -5.717 -4.984 -2.840 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.656 -4.037 -0.739 1.00 0.00 C ATOM 500 CD1 ILE A 35 -6.450 -6.128 -2.138 1.00 0.00 C ATOM 0 H ILE A 35 -7.505 -2.649 -3.356 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.314 -4.069 -0.751 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.143 -2.965 -2.508 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.255 -4.705 -3.746 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.726 -5.317 -3.147 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.686 -4.368 -1.110 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.530 -3.123 -0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.086 -4.812 -0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.526 -6.980 -2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.897 -6.421 -1.245 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.450 -5.800 -1.854 1.00 0.00 H new ATOM 512 N LEU A 36 -6.775 -0.897 -1.397 1.00 0.00 N ATOM 513 CA LEU A 36 -6.722 0.422 -0.788 1.00 0.00 C ATOM 514 C LEU A 36 -7.990 0.649 0.037 1.00 0.00 C ATOM 515 O LEU A 36 -7.926 1.171 1.149 1.00 0.00 O ATOM 516 CB LEU A 36 -6.480 1.494 -1.852 1.00 0.00 C ATOM 517 CG LEU A 36 -6.224 2.910 -1.332 1.00 0.00 C ATOM 518 CD1 LEU A 36 -4.788 3.057 -0.827 1.00 0.00 C ATOM 519 CD2 LEU A 36 -6.568 3.955 -2.396 1.00 0.00 C ATOM 0 H LEU A 36 -6.688 -0.901 -2.413 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.878 0.491 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.626 1.191 -2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.345 1.522 -2.514 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.883 3.087 -0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.632 4.073 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.613 2.350 -0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.093 2.853 -1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.377 4.953 -2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.952 3.791 -3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.620 3.867 -2.666 1.00 0.00 H new ATOM 531 N LYS A 37 -9.113 0.247 -0.540 1.00 0.00 N ATOM 532 CA LYS A 37 -10.394 0.401 0.128 1.00 0.00 C ATOM 533 C LYS A 37 -10.384 -0.400 1.432 1.00 0.00 C ATOM 534 O LYS A 37 -11.049 -0.029 2.397 1.00 0.00 O ATOM 535 CB LYS A 37 -11.539 0.025 -0.816 1.00 0.00 C ATOM 536 CG LYS A 37 -11.466 -1.453 -1.204 1.00 0.00 C ATOM 537 CD LYS A 37 -12.661 -2.227 -0.642 1.00 0.00 C ATOM 538 CE LYS A 37 -12.621 -3.692 -1.082 1.00 0.00 C ATOM 539 NZ LYS A 37 -13.024 -3.819 -2.500 1.00 0.00 N ATOM 0 H LYS A 37 -9.162 -0.185 -1.463 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.561 1.444 0.396 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.495 0.232 -0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.494 0.643 -1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.445 -1.547 -2.290 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.539 -1.886 -0.829 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.656 -2.170 0.447 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.589 -1.767 -0.981 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.616 -4.091 -0.946 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.287 -4.285 -0.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.443 -4.547 -2.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.026 -4.091 -2.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.886 -2.908 -2.983 1.00 0.00 H new ATOM 553 N VAL A 38 -9.621 -1.483 1.418 1.00 0.00 N ATOM 554 CA VAL A 38 -9.515 -2.339 2.587 1.00 0.00 C ATOM 555 C VAL A 38 -8.474 -1.759 3.546 1.00 0.00 C ATOM 556 O VAL A 38 -8.742 -1.598 4.735 1.00 0.00 O ATOM 557 CB VAL A 38 -9.200 -3.774 2.159 1.00 0.00 C ATOM 558 CG1 VAL A 38 -9.303 -4.735 3.344 1.00 0.00 C ATOM 559 CG2 VAL A 38 -10.113 -4.217 1.013 1.00 0.00 C ATOM 0 H VAL A 38 -9.070 -1.787 0.615 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.465 -2.375 3.121 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.172 -3.798 1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.074 -5.748 3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.594 -4.437 4.116 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.314 -4.706 3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.868 -5.240 0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.153 -4.169 1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.969 -3.557 0.157 1.00 0.00 H new ATOM 569 N VAL A 39 -7.307 -1.462 2.992 1.00 0.00 N ATOM 570 CA VAL A 39 -6.224 -0.903 3.783 1.00 0.00 C ATOM 571 C VAL A 39 -6.710 0.371 4.478 1.00 0.00 C ATOM 572 O VAL A 39 -6.581 0.508 5.693 1.00 0.00 O ATOM 573 CB VAL A 39 -4.997 -0.671 2.900 1.00 0.00 C ATOM 574 CG1 VAL A 39 -3.875 0.008 3.688 1.00 0.00 C ATOM 575 CG2 VAL A 39 -4.513 -1.983 2.278 1.00 0.00 C ATOM 0 H VAL A 39 -7.088 -1.598 2.005 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.920 -1.602 4.562 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.289 -0.003 2.089 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.014 0.161 3.037 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.224 0.971 4.061 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.586 -0.624 4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.640 -1.790 1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.247 -2.684 3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.308 -2.411 1.666 1.00 0.00 H new ATOM 585 N ALA A 40 -7.259 1.271 3.675 1.00 0.00 N ATOM 586 CA ALA A 40 -7.765 2.530 4.198 1.00 0.00 C ATOM 587 C ALA A 40 -8.454 2.279 5.540 1.00 0.00 C ATOM 588 O ALA A 40 -8.292 3.056 6.480 1.00 0.00 O ATOM 589 CB ALA A 40 -8.702 3.169 3.171 1.00 0.00 C ATOM 0 H ALA A 40 -7.365 1.154 2.667 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.948 3.230 4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.082 4.113 3.563 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.156 3.353 2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.537 2.497 2.972 1.00 0.00 H new ATOM 595 N GLU A 41 -9.209 1.191 5.588 1.00 0.00 N ATOM 596 CA GLU A 41 -9.924 0.829 6.800 1.00 0.00 C ATOM 597 C GLU A 41 -8.951 0.279 7.845 1.00 0.00 C ATOM 598 O GLU A 41 -9.059 0.601 9.028 1.00 0.00 O ATOM 599 CB GLU A 41 -11.035 -0.179 6.500 1.00 0.00 C ATOM 600 CG GLU A 41 -11.781 0.192 5.217 1.00 0.00 C ATOM 601 CD GLU A 41 -13.281 0.342 5.479 1.00 0.00 C ATOM 602 OE1 GLU A 41 -13.914 -0.698 5.763 1.00 0.00 O ATOM 603 OE2 GLU A 41 -13.760 1.493 5.389 1.00 0.00 O ATOM 0 H GLU A 41 -9.341 0.548 4.807 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.393 1.726 7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.608 -1.177 6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.735 -0.213 7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.383 1.125 4.817 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.615 -0.575 4.461 1.00 0.00 H new ATOM 610 N LYS A 42 -8.024 -0.540 7.372 1.00 0.00 N ATOM 611 CA LYS A 42 -7.034 -1.138 8.251 1.00 0.00 C ATOM 612 C LYS A 42 -6.230 -0.030 8.934 1.00 0.00 C ATOM 613 O LYS A 42 -5.782 -0.192 10.068 1.00 0.00 O ATOM 614 CB LYS A 42 -6.170 -2.139 7.482 1.00 0.00 C ATOM 615 CG LYS A 42 -6.499 -3.576 7.891 1.00 0.00 C ATOM 616 CD LYS A 42 -7.990 -3.870 7.709 1.00 0.00 C ATOM 617 CE LYS A 42 -8.349 -3.985 6.227 1.00 0.00 C ATOM 618 NZ LYS A 42 -9.754 -3.577 6.000 1.00 0.00 N ATOM 0 H LYS A 42 -7.937 -0.804 6.391 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.521 -1.712 9.039 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.331 -2.016 6.411 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.116 -1.936 7.671 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.912 -4.272 7.292 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.218 -3.735 8.932 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.247 -4.797 8.222 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.580 -3.077 8.169 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.682 -3.358 5.636 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.203 -5.011 5.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.308 -4.400 5.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.155 -3.206 6.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.787 -2.839 5.268 1.00 0.00 H new ATOM 632 N ILE A 43 -6.072 1.072 8.216 1.00 0.00 N ATOM 633 CA ILE A 43 -5.331 2.207 8.739 1.00 0.00 C ATOM 634 C ILE A 43 -6.314 3.279 9.211 1.00 0.00 C ATOM 635 O ILE A 43 -5.924 4.231 9.886 1.00 0.00 O ATOM 636 CB ILE A 43 -4.322 2.710 7.704 1.00 0.00 C ATOM 637 CG1 ILE A 43 -4.924 3.827 6.849 1.00 0.00 C ATOM 638 CG2 ILE A 43 -3.790 1.557 6.850 1.00 0.00 C ATOM 639 CD1 ILE A 43 -3.870 4.438 5.924 1.00 0.00 C ATOM 0 H ILE A 43 -6.445 1.203 7.276 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.742 1.911 9.607 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.471 3.135 8.236 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.748 3.431 6.256 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.339 4.601 7.495 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.075 1.942 6.123 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.297 0.826 7.491 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.618 1.080 6.326 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.324 5.229 5.327 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.059 4.854 6.521 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.475 3.667 5.263 1.00 0.00 H new ATOM 651 N GLN A 44 -7.571 3.090 8.838 1.00 0.00 N ATOM 652 CA GLN A 44 -8.614 4.030 9.215 1.00 0.00 C ATOM 653 C GLN A 44 -8.383 5.380 8.533 1.00 0.00 C ATOM 654 O GLN A 44 -8.172 6.389 9.203 1.00 0.00 O ATOM 655 CB GLN A 44 -8.685 4.188 10.735 1.00 0.00 C ATOM 656 CG GLN A 44 -8.608 2.828 11.432 1.00 0.00 C ATOM 657 CD GLN A 44 -8.980 2.949 12.911 1.00 0.00 C ATOM 658 OE1 GLN A 44 -10.063 2.584 13.338 1.00 0.00 O ATOM 659 NE2 GLN A 44 -8.023 3.481 13.668 1.00 0.00 N ATOM 0 H GLN A 44 -7.891 2.300 8.278 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.572 3.635 8.879 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.867 4.823 11.077 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -9.613 4.689 11.009 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.280 2.125 10.940 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.600 2.424 11.339 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.139 3.766 13.247 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.174 3.604 14.669 1.00 0.00 H new ATOM 668 N TYR A 45 -8.431 5.354 7.209 1.00 0.00 N ATOM 669 CA TYR A 45 -8.231 6.564 6.429 1.00 0.00 C ATOM 670 C TYR A 45 -9.216 6.633 5.261 1.00 0.00 C ATOM 671 O TYR A 45 -10.250 5.967 5.276 1.00 0.00 O ATOM 672 CB TYR A 45 -6.807 6.477 5.876 1.00 0.00 C ATOM 673 CG TYR A 45 -5.878 7.586 6.372 1.00 0.00 C ATOM 674 CD1 TYR A 45 -5.187 7.430 7.556 1.00 0.00 C ATOM 675 CD2 TYR A 45 -5.730 8.744 5.635 1.00 0.00 C ATOM 676 CE1 TYR A 45 -4.313 8.474 8.023 1.00 0.00 C ATOM 677 CE2 TYR A 45 -4.856 9.788 6.102 1.00 0.00 C ATOM 678 CZ TYR A 45 -4.190 9.602 7.273 1.00 0.00 C ATOM 679 OH TYR A 45 -3.364 10.589 7.714 1.00 0.00 O ATOM 0 H TYR A 45 -8.605 4.514 6.657 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.387 7.449 7.046 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.381 5.511 6.148 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.848 6.512 4.787 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.302 6.524 8.133 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.270 8.867 4.708 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.767 8.364 8.948 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.732 10.699 5.535 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.632 10.195 8.234 1.00 0.00 H new ATOM 689 N ALA A 46 -8.860 7.443 4.275 1.00 0.00 N ATOM 690 CA ALA A 46 -9.700 7.608 3.101 1.00 0.00 C ATOM 691 C ALA A 46 -8.978 7.037 1.879 1.00 0.00 C ATOM 692 O ALA A 46 -8.068 7.665 1.341 1.00 0.00 O ATOM 693 CB ALA A 46 -10.055 9.086 2.930 1.00 0.00 C ATOM 0 H ALA A 46 -8.001 7.992 4.265 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.635 7.060 3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.685 9.209 2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.592 9.436 3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.141 9.668 2.807 1.00 0.00 H new ATOM 699 N GLU A 47 -9.412 5.851 1.476 1.00 0.00 N ATOM 700 CA GLU A 47 -8.819 5.188 0.328 1.00 0.00 C ATOM 701 C GLU A 47 -8.619 6.185 -0.816 1.00 0.00 C ATOM 702 O GLU A 47 -7.576 6.186 -1.468 1.00 0.00 O ATOM 703 CB GLU A 47 -9.673 4.001 -0.122 1.00 0.00 C ATOM 704 CG GLU A 47 -11.125 4.427 -0.352 1.00 0.00 C ATOM 705 CD GLU A 47 -11.982 3.238 -0.793 1.00 0.00 C ATOM 706 OE1 GLU A 47 -11.827 2.831 -1.964 1.00 0.00 O ATOM 707 OE2 GLU A 47 -12.772 2.764 0.052 1.00 0.00 O ATOM 0 H GLU A 47 -10.167 5.333 1.925 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.843 4.800 0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.263 3.581 -1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.636 3.215 0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.532 4.853 0.565 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.163 5.208 -1.111 1.00 0.00 H new ATOM 714 N GLU A 48 -9.635 7.009 -1.025 1.00 0.00 N ATOM 715 CA GLU A 48 -9.584 8.008 -2.078 1.00 0.00 C ATOM 716 C GLU A 48 -8.414 8.966 -1.845 1.00 0.00 C ATOM 717 O GLU A 48 -7.824 9.474 -2.797 1.00 0.00 O ATOM 718 CB GLU A 48 -10.906 8.772 -2.174 1.00 0.00 C ATOM 719 CG GLU A 48 -11.213 9.504 -0.866 1.00 0.00 C ATOM 720 CD GLU A 48 -12.701 9.845 -0.764 1.00 0.00 C ATOM 721 OE1 GLU A 48 -13.493 8.890 -0.612 1.00 0.00 O ATOM 722 OE2 GLU A 48 -13.013 11.052 -0.842 1.00 0.00 O ATOM 0 H GLU A 48 -10.499 7.005 -0.483 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.427 7.497 -3.028 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.857 9.489 -2.993 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.715 8.079 -2.405 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.920 8.882 -0.020 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.622 10.418 -0.810 1.00 0.00 H new ATOM 729 N ASP A 49 -8.112 9.183 -0.573 1.00 0.00 N ATOM 730 CA ASP A 49 -7.023 10.070 -0.203 1.00 0.00 C ATOM 731 C ASP A 49 -5.712 9.282 -0.187 1.00 0.00 C ATOM 732 O ASP A 49 -4.639 9.858 -0.012 1.00 0.00 O ATOM 733 CB ASP A 49 -7.240 10.656 1.193 1.00 0.00 C ATOM 734 CG ASP A 49 -8.468 11.558 1.333 1.00 0.00 C ATOM 735 OD1 ASP A 49 -8.996 11.965 0.275 1.00 0.00 O ATOM 736 OD2 ASP A 49 -8.851 11.820 2.493 1.00 0.00 O ATOM 0 H ASP A 49 -8.603 8.759 0.214 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.985 10.880 -0.932 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.328 9.836 1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.355 11.227 1.472 1.00 0.00 H new ATOM 741 N LEU A 50 -5.841 7.976 -0.371 1.00 0.00 N ATOM 742 CA LEU A 50 -4.680 7.103 -0.379 1.00 0.00 C ATOM 743 C LEU A 50 -4.401 6.646 -1.813 1.00 0.00 C ATOM 744 O LEU A 50 -5.113 7.029 -2.740 1.00 0.00 O ATOM 745 CB LEU A 50 -4.870 5.949 0.607 1.00 0.00 C ATOM 746 CG LEU A 50 -5.033 6.343 2.077 1.00 0.00 C ATOM 747 CD1 LEU A 50 -5.118 5.104 2.970 1.00 0.00 C ATOM 748 CD2 LEU A 50 -3.918 7.293 2.517 1.00 0.00 C ATOM 0 H LEU A 50 -6.732 7.502 -0.516 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.796 7.642 -0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.749 5.380 0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.013 5.281 0.523 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.974 6.882 2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.233 5.412 4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.975 4.500 2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.206 4.516 2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.058 7.557 3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.952 6.803 2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.948 8.196 1.908 1.00 0.00 H new ATOM 760 N ALA A 51 -3.362 5.835 -1.950 1.00 0.00 N ATOM 761 CA ALA A 51 -2.980 5.322 -3.255 1.00 0.00 C ATOM 762 C ALA A 51 -1.987 4.172 -3.075 1.00 0.00 C ATOM 763 O ALA A 51 -1.190 4.176 -2.139 1.00 0.00 O ATOM 764 CB ALA A 51 -2.409 6.460 -4.103 1.00 0.00 C ATOM 0 H ALA A 51 -2.773 5.521 -1.179 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.848 4.927 -3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.122 6.076 -5.082 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.164 7.237 -4.225 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.534 6.879 -3.607 1.00 0.00 H new ATOM 770 N LEU A 52 -2.068 3.215 -3.988 1.00 0.00 N ATOM 771 CA LEU A 52 -1.185 2.061 -3.942 1.00 0.00 C ATOM 772 C LEU A 52 0.147 2.417 -4.605 1.00 0.00 C ATOM 773 O LEU A 52 0.186 2.754 -5.787 1.00 0.00 O ATOM 774 CB LEU A 52 -1.870 0.839 -4.556 1.00 0.00 C ATOM 775 CG LEU A 52 -3.090 0.305 -3.803 1.00 0.00 C ATOM 776 CD1 LEU A 52 -3.028 0.681 -2.322 1.00 0.00 C ATOM 777 CD2 LEU A 52 -4.390 0.775 -4.460 1.00 0.00 C ATOM 0 H LEU A 52 -2.731 3.215 -4.763 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.965 1.790 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.176 1.091 -5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.136 0.037 -4.634 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.076 -0.783 -3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.907 0.289 -1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.129 0.256 -1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.004 1.766 -2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.241 0.381 -3.905 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.427 1.864 -4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.429 0.415 -5.488 1.00 0.00 H new ATOM 789 N VAL A 53 1.206 2.330 -3.814 1.00 0.00 N ATOM 790 CA VAL A 53 2.537 2.638 -4.309 1.00 0.00 C ATOM 791 C VAL A 53 3.294 1.335 -4.572 1.00 0.00 C ATOM 792 O VAL A 53 3.002 0.309 -3.959 1.00 0.00 O ATOM 793 CB VAL A 53 3.260 3.561 -3.326 1.00 0.00 C ATOM 794 CG1 VAL A 53 4.778 3.466 -3.499 1.00 0.00 C ATOM 795 CG2 VAL A 53 2.781 5.006 -3.476 1.00 0.00 C ATOM 0 H VAL A 53 1.170 2.051 -2.834 1.00 0.00 H new ATOM 0 HA VAL A 53 2.477 3.175 -5.255 1.00 0.00 H new ATOM 0 HB VAL A 53 3.016 3.231 -2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.268 4.132 -2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.101 2.441 -3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.047 3.757 -4.514 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.311 5.641 -2.766 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.980 5.352 -4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.710 5.057 -3.279 1.00 0.00 H new ATOM 805 N ALA A 54 4.251 1.417 -5.484 1.00 0.00 N ATOM 806 CA ALA A 54 5.051 0.257 -5.836 1.00 0.00 C ATOM 807 C ALA A 54 6.534 0.632 -5.788 1.00 0.00 C ATOM 808 O ALA A 54 6.958 1.586 -6.437 1.00 0.00 O ATOM 809 CB ALA A 54 4.625 -0.260 -7.212 1.00 0.00 C ATOM 0 H ALA A 54 4.490 2.270 -5.990 1.00 0.00 H new ATOM 0 HA ALA A 54 4.891 -0.550 -5.121 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.226 -1.130 -7.476 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.572 -0.540 -7.185 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.773 0.522 -7.957 1.00 0.00 H new ATOM 815 N ILE A 55 7.282 -0.140 -5.013 1.00 0.00 N ATOM 816 CA ILE A 55 8.708 0.099 -4.871 1.00 0.00 C ATOM 817 C ILE A 55 9.472 -0.825 -5.822 1.00 0.00 C ATOM 818 O ILE A 55 9.129 -1.997 -5.963 1.00 0.00 O ATOM 819 CB ILE A 55 9.132 -0.038 -3.408 1.00 0.00 C ATOM 820 CG1 ILE A 55 8.185 0.736 -2.488 1.00 0.00 C ATOM 821 CG2 ILE A 55 10.590 0.386 -3.217 1.00 0.00 C ATOM 822 CD1 ILE A 55 8.602 2.205 -2.382 1.00 0.00 C ATOM 0 H ILE A 55 6.927 -0.932 -4.477 1.00 0.00 H new ATOM 0 HA ILE A 55 8.953 1.123 -5.154 1.00 0.00 H new ATOM 0 HB ILE A 55 9.064 -1.090 -3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.166 0.670 -2.870 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.184 0.282 -1.497 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.866 0.279 -2.168 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.235 -0.245 -3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.709 1.427 -3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.913 2.732 -1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.612 2.268 -1.977 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.579 2.662 -3.371 1.00 0.00 H new ATOM 834 N THR A 56 10.494 -0.261 -6.450 1.00 0.00 N ATOM 835 CA THR A 56 11.310 -1.019 -7.383 1.00 0.00 C ATOM 836 C THR A 56 12.532 -1.602 -6.671 1.00 0.00 C ATOM 837 O THR A 56 12.845 -1.212 -5.547 1.00 0.00 O ATOM 838 CB THR A 56 11.668 -0.101 -8.552 1.00 0.00 C ATOM 839 OG1 THR A 56 12.472 -0.916 -9.400 1.00 0.00 O ATOM 840 CG2 THR A 56 12.601 1.039 -8.137 1.00 0.00 C ATOM 0 H THR A 56 10.775 0.712 -6.331 1.00 0.00 H new ATOM 0 HA THR A 56 10.765 -1.876 -7.780 1.00 0.00 H new ATOM 0 HB THR A 56 10.755 0.314 -8.980 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.953 -1.694 -9.694 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.824 1.661 -9.004 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.117 1.645 -7.371 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.528 0.625 -7.740 1.00 0.00 H new ATOM 848 N PHE A 57 13.190 -2.527 -7.354 1.00 0.00 N ATOM 849 CA PHE A 57 14.371 -3.167 -6.801 1.00 0.00 C ATOM 850 C PHE A 57 15.517 -2.165 -6.648 1.00 0.00 C ATOM 851 O PHE A 57 16.512 -2.240 -7.367 1.00 0.00 O ATOM 852 CB PHE A 57 14.792 -4.258 -7.788 1.00 0.00 C ATOM 853 CG PHE A 57 15.985 -5.094 -7.320 1.00 0.00 C ATOM 854 CD1 PHE A 57 15.887 -5.847 -6.192 1.00 0.00 C ATOM 855 CD2 PHE A 57 17.143 -5.085 -8.033 1.00 0.00 C ATOM 856 CE1 PHE A 57 16.994 -6.623 -5.758 1.00 0.00 C ATOM 857 CE2 PHE A 57 18.251 -5.861 -7.599 1.00 0.00 C ATOM 858 CZ PHE A 57 18.152 -6.614 -6.470 1.00 0.00 C ATOM 0 H PHE A 57 12.927 -2.849 -8.286 1.00 0.00 H new ATOM 0 HA PHE A 57 14.146 -3.574 -5.815 1.00 0.00 H new ATOM 0 HB2 PHE A 57 13.944 -4.920 -7.965 1.00 0.00 H new ATOM 0 HB3 PHE A 57 15.039 -3.794 -8.743 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.967 -5.855 -5.626 1.00 0.00 H new ATOM 0 HD2 PHE A 57 17.220 -4.488 -8.929 1.00 0.00 H new ATOM 0 HE1 PHE A 57 16.916 -7.221 -4.862 1.00 0.00 H new ATOM 0 HE2 PHE A 57 19.171 -5.853 -8.165 1.00 0.00 H new ATOM 0 HZ PHE A 57 18.994 -7.205 -6.139 1.00 0.00 H new ATOM 868 N SER A 58 15.339 -1.251 -5.706 1.00 0.00 N ATOM 869 CA SER A 58 16.345 -0.235 -5.449 1.00 0.00 C ATOM 870 C SER A 58 15.908 0.651 -4.281 1.00 0.00 C ATOM 871 O SER A 58 16.733 1.059 -3.464 1.00 0.00 O ATOM 872 CB SER A 58 16.599 0.616 -6.695 1.00 0.00 C ATOM 873 OG SER A 58 17.442 -0.048 -7.632 1.00 0.00 O ATOM 0 H SER A 58 14.513 -1.193 -5.111 1.00 0.00 H new ATOM 0 HA SER A 58 17.277 -0.735 -5.188 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.648 0.856 -7.170 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.057 1.561 -6.402 1.00 0.00 H new ATOM 0 HG SER A 58 17.492 -1.001 -7.409 1.00 0.00 H new ATOM 879 N GLY A 59 14.612 0.923 -4.238 1.00 0.00 N ATOM 880 CA GLY A 59 14.055 1.753 -3.184 1.00 0.00 C ATOM 881 C GLY A 59 13.010 2.720 -3.742 1.00 0.00 C ATOM 882 O GLY A 59 12.001 2.991 -3.093 1.00 0.00 O ATOM 0 H GLY A 59 13.931 0.583 -4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.600 1.121 -2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.853 2.315 -2.699 1.00 0.00 H new ATOM 886 N GLU A 60 13.287 3.215 -4.940 1.00 0.00 N ATOM 887 CA GLU A 60 12.383 4.146 -5.592 1.00 0.00 C ATOM 888 C GLU A 60 10.946 3.625 -5.527 1.00 0.00 C ATOM 889 O GLU A 60 10.702 2.438 -5.737 1.00 0.00 O ATOM 890 CB GLU A 60 12.808 4.400 -7.040 1.00 0.00 C ATOM 891 CG GLU A 60 13.934 5.434 -7.107 1.00 0.00 C ATOM 892 CD GLU A 60 13.662 6.471 -8.199 1.00 0.00 C ATOM 893 OE1 GLU A 60 12.667 7.211 -8.044 1.00 0.00 O ATOM 894 OE2 GLU A 60 14.456 6.499 -9.164 1.00 0.00 O ATOM 0 H GLU A 60 14.125 2.988 -5.476 1.00 0.00 H new ATOM 0 HA GLU A 60 12.429 5.097 -5.062 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.139 3.466 -7.495 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.953 4.750 -7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.032 5.933 -6.143 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.882 4.933 -7.304 1.00 0.00 H new ATOM 901 N LYS A 61 10.032 4.539 -5.234 1.00 0.00 N ATOM 902 CA LYS A 61 8.625 4.186 -5.138 1.00 0.00 C ATOM 903 C LYS A 61 7.880 4.744 -6.353 1.00 0.00 C ATOM 904 O LYS A 61 8.330 5.706 -6.973 1.00 0.00 O ATOM 905 CB LYS A 61 8.048 4.646 -3.798 1.00 0.00 C ATOM 906 CG LYS A 61 7.703 6.136 -3.832 1.00 0.00 C ATOM 907 CD LYS A 61 8.336 6.873 -2.650 1.00 0.00 C ATOM 908 CE LYS A 61 9.764 7.312 -2.979 1.00 0.00 C ATOM 909 NZ LYS A 61 9.756 8.371 -4.012 1.00 0.00 N ATOM 0 H LYS A 61 10.238 5.523 -5.060 1.00 0.00 H new ATOM 0 HA LYS A 61 8.501 3.103 -5.157 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.154 4.067 -3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.768 4.454 -3.003 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.053 6.573 -4.767 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.621 6.263 -3.807 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.733 7.745 -2.395 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.344 6.224 -1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.255 7.679 -2.078 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.342 6.457 -3.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.621 8.943 -3.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.717 7.935 -4.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.924 8.981 -3.878 1.00 0.00 H new ATOM 923 N HIS A 62 6.754 4.115 -6.656 1.00 0.00 N ATOM 924 CA HIS A 62 5.942 4.537 -7.785 1.00 0.00 C ATOM 925 C HIS A 62 4.461 4.451 -7.412 1.00 0.00 C ATOM 926 O HIS A 62 4.078 3.661 -6.551 1.00 0.00 O ATOM 927 CB HIS A 62 6.287 3.725 -9.035 1.00 0.00 C ATOM 928 CG HIS A 62 6.100 4.480 -10.329 1.00 0.00 C ATOM 929 ND1 HIS A 62 6.810 5.628 -10.637 1.00 0.00 N ATOM 930 CD2 HIS A 62 5.278 4.240 -11.391 1.00 0.00 C ATOM 931 CE1 HIS A 62 6.424 6.051 -11.831 1.00 0.00 C ATOM 932 NE2 HIS A 62 5.474 5.190 -12.297 1.00 0.00 N ATOM 0 H HIS A 62 6.385 3.317 -6.140 1.00 0.00 H new ATOM 0 HA HIS A 62 6.160 5.577 -8.027 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.323 3.394 -8.966 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.667 2.829 -9.056 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.585 3.416 -11.480 1.00 0.00 H new ATOM 0 HE1 HIS A 62 6.796 6.925 -12.346 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.994 5.264 -13.194 1.00 0.00 H new ATOM 940 N GLU A 63 3.667 5.275 -8.080 1.00 0.00 N ATOM 941 CA GLU A 63 2.236 5.303 -7.830 1.00 0.00 C ATOM 942 C GLU A 63 1.479 4.684 -9.008 1.00 0.00 C ATOM 943 O GLU A 63 1.514 5.212 -10.118 1.00 0.00 O ATOM 944 CB GLU A 63 1.754 6.729 -7.558 1.00 0.00 C ATOM 945 CG GLU A 63 0.339 6.728 -6.976 1.00 0.00 C ATOM 946 CD GLU A 63 -0.589 7.633 -7.789 1.00 0.00 C ATOM 947 OE1 GLU A 63 -0.316 8.852 -7.812 1.00 0.00 O ATOM 948 OE2 GLU A 63 -1.550 7.084 -8.371 1.00 0.00 O ATOM 0 H GLU A 63 3.988 5.929 -8.794 1.00 0.00 H new ATOM 0 HA GLU A 63 2.031 4.709 -6.939 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.436 7.221 -6.864 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.770 7.305 -8.483 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.054 5.711 -6.968 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.368 7.067 -5.940 1.00 0.00 H new ATOM 955 N LEU A 64 0.814 3.574 -8.724 1.00 0.00 N ATOM 956 CA LEU A 64 0.050 2.878 -9.746 1.00 0.00 C ATOM 957 C LEU A 64 -1.375 3.434 -9.778 1.00 0.00 C ATOM 958 O LEU A 64 -1.626 4.538 -9.298 1.00 0.00 O ATOM 959 CB LEU A 64 0.115 1.366 -9.526 1.00 0.00 C ATOM 960 CG LEU A 64 1.286 0.861 -8.681 1.00 0.00 C ATOM 961 CD1 LEU A 64 0.864 0.661 -7.224 1.00 0.00 C ATOM 962 CD2 LEU A 64 1.889 -0.410 -9.283 1.00 0.00 C ATOM 0 H LEU A 64 0.788 3.139 -7.802 1.00 0.00 H new ATOM 0 HA LEU A 64 0.483 3.053 -10.731 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.813 1.048 -9.052 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.159 0.879 -10.500 1.00 0.00 H new ATOM 0 HG LEU A 64 2.066 1.622 -8.689 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.715 0.302 -6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.519 1.609 -6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.057 -0.071 -7.176 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.719 -0.748 -8.663 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.128 -1.189 -9.326 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.250 -0.200 -10.290 1.00 0.00 H new ATOM 974 N GLN A 65 -2.272 2.643 -10.350 1.00 0.00 N ATOM 975 CA GLN A 65 -3.665 3.042 -10.451 1.00 0.00 C ATOM 976 C GLN A 65 -4.530 2.192 -9.519 1.00 0.00 C ATOM 977 O GLN A 65 -4.098 1.138 -9.055 1.00 0.00 O ATOM 978 CB GLN A 65 -4.159 2.947 -11.896 1.00 0.00 C ATOM 979 CG GLN A 65 -3.833 4.225 -12.672 1.00 0.00 C ATOM 980 CD GLN A 65 -5.095 4.824 -13.297 1.00 0.00 C ATOM 981 OE1 GLN A 65 -6.208 4.389 -13.049 1.00 0.00 O ATOM 982 NE2 GLN A 65 -4.860 5.842 -14.120 1.00 0.00 N ATOM 0 H GLN A 65 -2.060 1.728 -10.748 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.747 4.084 -10.141 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.696 2.091 -12.387 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.235 2.776 -11.906 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.373 4.953 -12.004 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.105 4.005 -13.453 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.903 6.156 -14.283 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.637 6.309 -14.588 1.00 0.00 H new ATOM 991 N PRO A 66 -5.768 2.694 -9.266 1.00 0.00 N ATOM 992 CA PRO A 66 -6.698 1.992 -8.398 1.00 0.00 C ATOM 993 C PRO A 66 -7.298 0.775 -9.106 1.00 0.00 C ATOM 994 O PRO A 66 -8.084 0.035 -8.517 1.00 0.00 O ATOM 995 CB PRO A 66 -7.740 3.030 -8.015 1.00 0.00 C ATOM 996 CG PRO A 66 -7.619 4.141 -9.045 1.00 0.00 C ATOM 997 CD PRO A 66 -6.314 3.939 -9.798 1.00 0.00 C ATOM 0 HA PRO A 66 -6.217 1.584 -7.509 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.741 2.599 -8.021 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.562 3.409 -7.009 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.464 4.117 -9.733 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -7.632 5.116 -8.558 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.483 3.870 -10.873 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.630 4.772 -9.636 1.00 0.00 H new ATOM 1005 N ASN A 67 -6.904 0.607 -10.360 1.00 0.00 N ATOM 1006 CA ASN A 67 -7.394 -0.506 -11.155 1.00 0.00 C ATOM 1007 C ASN A 67 -6.240 -1.472 -11.437 1.00 0.00 C ATOM 1008 O ASN A 67 -6.448 -2.544 -12.003 1.00 0.00 O ATOM 1009 CB ASN A 67 -7.946 -0.024 -12.498 1.00 0.00 C ATOM 1010 CG ASN A 67 -7.233 1.249 -12.958 1.00 0.00 C ATOM 1011 OD1 ASN A 67 -6.015 1.040 -13.449 1.00 0.00 O flip ATOM 1012 ND2 ASN A 67 -7.755 2.349 -12.873 1.00 0.00 N flip ATOM 0 H ASN A 67 -6.251 1.223 -10.845 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.190 -0.997 -10.594 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.822 -0.806 -13.248 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.016 0.166 -12.409 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.694 2.439 -12.486 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.252 3.178 -13.189 1.00 0.00 H new ATOM 1019 N ASP A 68 -5.050 -1.056 -11.030 1.00 0.00 N ATOM 1020 CA ASP A 68 -3.864 -1.870 -11.231 1.00 0.00 C ATOM 1021 C ASP A 68 -4.030 -3.199 -10.491 1.00 0.00 C ATOM 1022 O ASP A 68 -4.270 -3.215 -9.284 1.00 0.00 O ATOM 1023 CB ASP A 68 -2.618 -1.174 -10.680 1.00 0.00 C ATOM 1024 CG ASP A 68 -1.294 -1.637 -11.293 1.00 0.00 C ATOM 1025 OD1 ASP A 68 -0.986 -2.838 -11.138 1.00 0.00 O ATOM 1026 OD2 ASP A 68 -0.620 -0.778 -11.902 1.00 0.00 O ATOM 0 H ASP A 68 -4.882 -0.166 -10.562 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.743 -2.030 -12.302 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.719 -0.101 -10.840 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.578 -1.334 -9.602 1.00 0.00 H new ATOM 1031 N LEU A 69 -3.896 -4.280 -11.244 1.00 0.00 N ATOM 1032 CA LEU A 69 -4.028 -5.610 -10.674 1.00 0.00 C ATOM 1033 C LEU A 69 -2.957 -5.809 -9.599 1.00 0.00 C ATOM 1034 O LEU A 69 -1.782 -5.531 -9.830 1.00 0.00 O ATOM 1035 CB LEU A 69 -3.997 -6.671 -11.776 1.00 0.00 C ATOM 1036 CG LEU A 69 -5.342 -7.002 -12.426 1.00 0.00 C ATOM 1037 CD1 LEU A 69 -5.191 -8.119 -13.460 1.00 0.00 C ATOM 1038 CD2 LEU A 69 -6.395 -7.338 -11.368 1.00 0.00 C ATOM 0 H LEU A 69 -3.697 -4.262 -12.244 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.996 -5.720 -10.185 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.312 -6.337 -12.555 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.582 -7.588 -11.358 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.691 -6.117 -12.957 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.161 -8.335 -13.907 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.496 -7.803 -14.238 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.808 -9.016 -12.973 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.341 -7.569 -11.857 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.066 -8.200 -10.788 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.529 -6.484 -10.704 1.00 0.00 H new ATOM 1050 N VAL A 70 -3.402 -6.288 -8.447 1.00 0.00 N ATOM 1051 CA VAL A 70 -2.497 -6.526 -7.336 1.00 0.00 C ATOM 1052 C VAL A 70 -2.239 -8.029 -7.208 1.00 0.00 C ATOM 1053 O VAL A 70 -2.740 -8.673 -6.287 1.00 0.00 O ATOM 1054 CB VAL A 70 -3.063 -5.906 -6.057 1.00 0.00 C ATOM 1055 CG1 VAL A 70 -2.728 -4.416 -5.975 1.00 0.00 C ATOM 1056 CG2 VAL A 70 -4.572 -6.136 -5.958 1.00 0.00 C ATOM 0 H VAL A 70 -4.378 -6.518 -8.259 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.536 -6.044 -7.516 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.593 -6.401 -5.208 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.142 -4.000 -5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.646 -4.286 -5.977 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.157 -3.899 -6.833 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.949 -5.685 -5.040 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.067 -5.680 -6.816 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.777 -7.207 -5.948 1.00 0.00 H new ATOM 1066 N ILE A 71 -1.456 -8.544 -8.145 1.00 0.00 N ATOM 1067 CA ILE A 71 -1.125 -9.959 -8.149 1.00 0.00 C ATOM 1068 C ILE A 71 -0.063 -10.227 -9.216 1.00 0.00 C ATOM 1069 O ILE A 71 0.880 -10.983 -8.983 1.00 0.00 O ATOM 1070 CB ILE A 71 -2.390 -10.805 -8.314 1.00 0.00 C ATOM 1071 CG1 ILE A 71 -2.209 -12.190 -7.689 1.00 0.00 C ATOM 1072 CG2 ILE A 71 -2.805 -10.889 -9.784 1.00 0.00 C ATOM 1073 CD1 ILE A 71 -1.428 -13.115 -8.625 1.00 0.00 C ATOM 0 H ILE A 71 -1.041 -8.007 -8.906 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.696 -10.252 -7.191 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.202 -10.314 -7.778 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.682 -12.098 -6.739 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.184 -12.625 -7.472 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.706 -11.496 -9.874 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.003 -9.887 -10.164 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.002 -11.345 -10.363 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.313 -14.093 -8.157 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.970 -13.223 -9.565 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.444 -12.688 -8.821 1.00 0.00 H new ATOM 1085 N SER A 72 -0.250 -9.593 -10.364 1.00 0.00 N ATOM 1086 CA SER A 72 0.681 -9.753 -11.468 1.00 0.00 C ATOM 1087 C SER A 72 1.899 -8.850 -11.262 1.00 0.00 C ATOM 1088 O SER A 72 1.783 -7.768 -10.688 1.00 0.00 O ATOM 1089 CB SER A 72 0.009 -9.439 -12.806 1.00 0.00 C ATOM 1090 OG SER A 72 0.922 -8.877 -13.744 1.00 0.00 O ATOM 0 H SER A 72 -1.033 -8.967 -10.554 1.00 0.00 H new ATOM 0 HA SER A 72 1.007 -10.793 -11.491 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.419 -10.352 -13.220 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.816 -8.745 -12.643 1.00 0.00 H new ATOM 0 HG SER A 72 0.454 -8.692 -14.585 1.00 0.00 H new ATOM 1096 N LYS A 73 3.038 -9.327 -11.741 1.00 0.00 N ATOM 1097 CA LYS A 73 4.276 -8.577 -11.616 1.00 0.00 C ATOM 1098 C LYS A 73 4.783 -8.202 -13.009 1.00 0.00 C ATOM 1099 O LYS A 73 5.049 -9.076 -13.833 1.00 0.00 O ATOM 1100 CB LYS A 73 5.293 -9.356 -10.780 1.00 0.00 C ATOM 1101 CG LYS A 73 5.341 -8.830 -9.344 1.00 0.00 C ATOM 1102 CD LYS A 73 5.275 -9.979 -8.336 1.00 0.00 C ATOM 1103 CE LYS A 73 4.406 -9.605 -7.134 1.00 0.00 C ATOM 1104 NZ LYS A 73 3.083 -10.261 -7.227 1.00 0.00 N ATOM 0 H LYS A 73 3.130 -10.225 -12.217 1.00 0.00 H new ATOM 0 HA LYS A 73 4.104 -7.645 -11.078 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.031 -10.414 -10.775 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.281 -9.275 -11.234 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.258 -8.261 -9.192 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.509 -8.146 -9.176 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.870 -10.868 -8.819 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.281 -10.229 -7.998 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.903 -9.905 -6.211 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.280 -8.523 -7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.403 -9.757 -6.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.753 -10.239 -8.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.162 -11.249 -6.911 1.00 0.00 H new ATOM 1118 N SER A 74 4.902 -6.901 -13.231 1.00 0.00 N ATOM 1119 CA SER A 74 5.373 -6.400 -14.511 1.00 0.00 C ATOM 1120 C SER A 74 6.631 -7.158 -14.939 1.00 0.00 C ATOM 1121 O SER A 74 6.608 -7.903 -15.917 1.00 0.00 O ATOM 1122 CB SER A 74 5.655 -4.898 -14.444 1.00 0.00 C ATOM 1123 OG SER A 74 5.573 -4.282 -15.727 1.00 0.00 O ATOM 0 H SER A 74 4.680 -6.179 -12.546 1.00 0.00 H new ATOM 0 HA SER A 74 4.590 -6.563 -15.251 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.942 -4.425 -13.768 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.648 -4.734 -14.026 1.00 0.00 H new ATOM 0 HG SER A 74 5.758 -3.323 -15.642 1.00 0.00 H new ATOM 1129 N LEU A 75 7.699 -6.941 -14.185 1.00 0.00 N ATOM 1130 CA LEU A 75 8.964 -7.595 -14.474 1.00 0.00 C ATOM 1131 C LEU A 75 9.949 -7.315 -13.338 1.00 0.00 C ATOM 1132 O LEU A 75 11.124 -7.043 -13.583 1.00 0.00 O ATOM 1133 CB LEU A 75 9.480 -7.177 -15.853 1.00 0.00 C ATOM 1134 CG LEU A 75 9.837 -5.698 -16.015 1.00 0.00 C ATOM 1135 CD1 LEU A 75 11.248 -5.534 -16.584 1.00 0.00 C ATOM 1136 CD2 LEU A 75 8.790 -4.971 -16.861 1.00 0.00 C ATOM 0 H LEU A 75 7.714 -6.322 -13.375 1.00 0.00 H new ATOM 0 HA LEU A 75 8.832 -8.676 -14.523 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.364 -7.771 -16.084 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.723 -7.431 -16.595 1.00 0.00 H new ATOM 0 HG LEU A 75 9.832 -5.235 -15.028 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.477 -4.474 -16.689 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.969 -5.995 -15.909 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.305 -6.016 -17.560 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.068 -3.922 -16.961 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.739 -5.428 -17.849 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.816 -5.044 -16.377 1.00 0.00 H new ATOM 1148 N GLU A 76 9.435 -7.391 -12.119 1.00 0.00 N ATOM 1149 CA GLU A 76 10.255 -7.149 -10.944 1.00 0.00 C ATOM 1150 C GLU A 76 10.303 -8.399 -10.064 1.00 0.00 C ATOM 1151 O GLU A 76 9.282 -8.822 -9.523 1.00 0.00 O ATOM 1152 CB GLU A 76 9.740 -5.943 -10.156 1.00 0.00 C ATOM 1153 CG GLU A 76 10.156 -4.631 -10.826 1.00 0.00 C ATOM 1154 CD GLU A 76 10.087 -3.465 -9.838 1.00 0.00 C ATOM 1155 OE1 GLU A 76 9.467 -3.661 -8.771 1.00 0.00 O ATOM 1156 OE2 GLU A 76 10.656 -2.403 -10.173 1.00 0.00 O ATOM 0 H GLU A 76 8.460 -7.617 -11.920 1.00 0.00 H new ATOM 0 HA GLU A 76 11.269 -6.921 -11.273 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.653 -5.989 -10.083 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.130 -5.975 -9.139 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.170 -4.723 -11.215 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.505 -4.430 -11.677 1.00 0.00 H new ATOM 1163 N ALA A 77 11.500 -8.956 -9.948 1.00 0.00 N ATOM 1164 CA ALA A 77 11.694 -10.149 -9.142 1.00 0.00 C ATOM 1165 C ALA A 77 11.406 -9.823 -7.676 1.00 0.00 C ATOM 1166 O ALA A 77 12.277 -9.323 -6.965 1.00 0.00 O ATOM 1167 CB ALA A 77 13.113 -10.682 -9.353 1.00 0.00 C ATOM 0 H ALA A 77 12.344 -8.603 -10.399 1.00 0.00 H new ATOM 0 HA ALA A 77 11.002 -10.934 -9.446 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.259 -11.577 -8.748 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.257 -10.927 -10.405 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.835 -9.922 -9.056 1.00 0.00 H new ATOM 1173 N SER A 78 10.181 -10.118 -7.267 1.00 0.00 N ATOM 1174 CA SER A 78 9.767 -9.862 -5.898 1.00 0.00 C ATOM 1175 C SER A 78 9.606 -8.357 -5.672 1.00 0.00 C ATOM 1176 O SER A 78 10.576 -7.664 -5.367 1.00 0.00 O ATOM 1177 CB SER A 78 10.771 -10.443 -4.901 1.00 0.00 C ATOM 1178 OG SER A 78 10.136 -10.909 -3.713 1.00 0.00 O ATOM 0 H SER A 78 9.462 -10.532 -7.860 1.00 0.00 H new ATOM 0 HA SER A 78 8.807 -10.352 -5.734 1.00 0.00 H new ATOM 0 HB2 SER A 78 11.312 -11.265 -5.369 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.508 -9.682 -4.644 1.00 0.00 H new ATOM 0 HG SER A 78 10.811 -11.274 -3.103 1.00 0.00 H new ATOM 1184 N GLY A 79 8.375 -7.895 -5.833 1.00 0.00 N ATOM 1185 CA GLY A 79 8.075 -6.485 -5.650 1.00 0.00 C ATOM 1186 C GLY A 79 7.458 -6.229 -4.274 1.00 0.00 C ATOM 1187 O GLY A 79 7.676 -6.997 -3.339 1.00 0.00 O ATOM 0 H GLY A 79 7.574 -8.472 -6.088 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.987 -5.899 -5.758 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.388 -6.152 -6.428 1.00 0.00 H new ATOM 1191 N ARG A 80 6.699 -5.146 -4.194 1.00 0.00 N ATOM 1192 CA ARG A 80 6.048 -4.779 -2.947 1.00 0.00 C ATOM 1193 C ARG A 80 5.126 -3.577 -3.163 1.00 0.00 C ATOM 1194 O ARG A 80 5.501 -2.615 -3.832 1.00 0.00 O ATOM 1195 CB ARG A 80 7.078 -4.436 -1.869 1.00 0.00 C ATOM 1196 CG ARG A 80 7.107 -5.508 -0.778 1.00 0.00 C ATOM 1197 CD ARG A 80 8.521 -5.687 -0.223 1.00 0.00 C ATOM 1198 NE ARG A 80 9.328 -6.514 -1.148 1.00 0.00 N ATOM 1199 CZ ARG A 80 10.653 -6.683 -1.045 1.00 0.00 C ATOM 1200 NH1 ARG A 80 11.329 -6.082 -0.056 1.00 0.00 N ATOM 1201 NH2 ARG A 80 11.302 -7.451 -1.930 1.00 0.00 N ATOM 0 H ARG A 80 6.520 -4.511 -4.972 1.00 0.00 H new ATOM 0 HA ARG A 80 5.462 -5.635 -2.614 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.066 -4.345 -2.321 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.839 -3.469 -1.427 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.428 -5.230 0.028 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.749 -6.454 -1.183 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.993 -4.714 -0.087 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.478 -6.161 0.758 1.00 0.00 H new ATOM 0 HE ARG A 80 8.845 -6.985 -1.913 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.835 -5.497 0.617 1.00 0.00 H new ATOM 0 HH12 ARG A 80 12.338 -6.210 0.023 1.00 0.00 H new ATOM 0 HH21 ARG A 80 10.787 -7.908 -2.683 1.00 0.00 H new ATOM 0 HH22 ARG A 80 12.311 -7.579 -1.851 1.00 0.00 H new ATOM 1215 N ILE A 81 3.938 -3.671 -2.584 1.00 0.00 N ATOM 1216 CA ILE A 81 2.960 -2.603 -2.705 1.00 0.00 C ATOM 1217 C ILE A 81 2.997 -1.739 -1.443 1.00 0.00 C ATOM 1218 O ILE A 81 3.309 -2.230 -0.359 1.00 0.00 O ATOM 1219 CB ILE A 81 1.577 -3.177 -3.018 1.00 0.00 C ATOM 1220 CG1 ILE A 81 1.649 -4.189 -4.164 1.00 0.00 C ATOM 1221 CG2 ILE A 81 0.572 -2.059 -3.303 1.00 0.00 C ATOM 1222 CD1 ILE A 81 2.013 -3.500 -5.481 1.00 0.00 C ATOM 0 H ILE A 81 3.631 -4.470 -2.030 1.00 0.00 H new ATOM 0 HA ILE A 81 3.207 -1.953 -3.544 1.00 0.00 H new ATOM 0 HB ILE A 81 1.222 -3.713 -2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.390 -4.954 -3.933 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.690 -4.696 -4.267 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.403 -2.494 -3.523 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.492 -1.410 -2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.910 -1.475 -4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.058 -4.241 -6.279 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.257 -2.753 -5.722 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.984 -3.015 -5.382 1.00 0.00 H new ATOM 1234 N TYR A 82 2.673 -0.467 -1.626 1.00 0.00 N ATOM 1235 CA TYR A 82 2.665 0.470 -0.515 1.00 0.00 C ATOM 1236 C TYR A 82 1.409 1.344 -0.545 1.00 0.00 C ATOM 1237 O TYR A 82 0.608 1.255 -1.474 1.00 0.00 O ATOM 1238 CB TYR A 82 3.895 1.359 -0.704 1.00 0.00 C ATOM 1239 CG TYR A 82 5.174 0.790 -0.086 1.00 0.00 C ATOM 1240 CD1 TYR A 82 5.701 -0.395 -0.557 1.00 0.00 C ATOM 1241 CD2 TYR A 82 5.801 1.463 0.943 1.00 0.00 C ATOM 1242 CE1 TYR A 82 6.905 -0.930 0.025 1.00 0.00 C ATOM 1243 CE2 TYR A 82 7.005 0.928 1.525 1.00 0.00 C ATOM 1244 CZ TYR A 82 7.497 -0.242 1.038 1.00 0.00 C ATOM 1245 OH TYR A 82 8.634 -0.747 1.587 1.00 0.00 O ATOM 0 H TYR A 82 2.414 -0.064 -2.526 1.00 0.00 H new ATOM 0 HA TYR A 82 2.676 -0.062 0.436 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.057 1.515 -1.770 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.695 2.337 -0.265 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.211 -0.922 -1.362 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.389 2.391 1.312 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.328 -1.856 -0.335 1.00 0.00 H new ATOM 0 HE2 TYR A 82 7.506 1.445 2.330 1.00 0.00 H new ATOM 0 HH TYR A 82 8.947 -0.150 2.299 1.00 0.00 H new ATOM 1255 N VAL A 83 1.278 2.170 0.482 1.00 0.00 N ATOM 1256 CA VAL A 83 0.133 3.060 0.586 1.00 0.00 C ATOM 1257 C VAL A 83 0.593 4.413 1.131 1.00 0.00 C ATOM 1258 O VAL A 83 1.181 4.485 2.209 1.00 0.00 O ATOM 1259 CB VAL A 83 -0.959 2.411 1.438 1.00 0.00 C ATOM 1260 CG1 VAL A 83 -0.406 1.972 2.796 1.00 0.00 C ATOM 1261 CG2 VAL A 83 -2.152 3.353 1.610 1.00 0.00 C ATOM 0 H VAL A 83 1.945 2.242 1.250 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.304 3.237 -0.397 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.308 1.521 0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.202 1.514 3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.396 1.249 2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.017 2.840 3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.914 2.867 2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.824 4.269 2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.569 3.594 0.632 1.00 0.00 H new ATOM 1271 N TYR A 84 0.308 5.453 0.361 1.00 0.00 N ATOM 1272 CA TYR A 84 0.685 6.800 0.754 1.00 0.00 C ATOM 1273 C TYR A 84 -0.550 7.687 0.927 1.00 0.00 C ATOM 1274 O TYR A 84 -1.645 7.322 0.502 1.00 0.00 O ATOM 1275 CB TYR A 84 1.536 7.351 -0.391 1.00 0.00 C ATOM 1276 CG TYR A 84 2.954 6.779 -0.443 1.00 0.00 C ATOM 1277 CD1 TYR A 84 3.151 5.451 -0.762 1.00 0.00 C ATOM 1278 CD2 TYR A 84 4.037 7.591 -0.171 1.00 0.00 C ATOM 1279 CE1 TYR A 84 4.486 4.912 -0.811 1.00 0.00 C ATOM 1280 CE2 TYR A 84 5.371 7.052 -0.220 1.00 0.00 C ATOM 1281 CZ TYR A 84 5.530 5.740 -0.538 1.00 0.00 C ATOM 1282 OH TYR A 84 6.791 5.231 -0.584 1.00 0.00 O ATOM 0 H TYR A 84 -0.179 5.390 -0.533 1.00 0.00 H new ATOM 0 HA TYR A 84 1.220 6.787 1.704 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.035 7.140 -1.336 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.596 8.435 -0.297 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.304 4.816 -0.975 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.883 8.630 0.079 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.654 3.874 -1.059 1.00 0.00 H new ATOM 0 HE2 TYR A 84 6.227 7.676 -0.009 1.00 0.00 H new ATOM 0 HH TYR A 84 6.749 4.252 -0.583 1.00 0.00 H new ATOM 1292 N ARG A 85 -0.333 8.834 1.553 1.00 0.00 N ATOM 1293 CA ARG A 85 -1.414 9.776 1.787 1.00 0.00 C ATOM 1294 C ARG A 85 -1.406 10.871 0.719 1.00 0.00 C ATOM 1295 O ARG A 85 -0.349 11.238 0.210 1.00 0.00 O ATOM 1296 CB ARG A 85 -1.293 10.421 3.170 1.00 0.00 C ATOM 1297 CG ARG A 85 -2.660 10.516 3.851 1.00 0.00 C ATOM 1298 CD ARG A 85 -3.088 11.976 4.019 1.00 0.00 C ATOM 1299 NE ARG A 85 -2.532 12.525 5.276 1.00 0.00 N ATOM 1300 CZ ARG A 85 -2.743 13.776 5.706 1.00 0.00 C ATOM 1301 NH1 ARG A 85 -3.498 14.615 4.984 1.00 0.00 N ATOM 1302 NH2 ARG A 85 -2.198 14.189 6.859 1.00 0.00 N ATOM 0 H ARG A 85 0.576 9.133 1.906 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.352 9.223 1.737 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.614 9.836 3.790 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.860 11.417 3.074 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.403 9.981 3.259 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.619 10.031 4.826 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -2.741 12.565 3.170 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.176 12.046 4.032 1.00 0.00 H new ATOM 0 HE ARG A 85 -1.952 11.913 5.850 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.912 14.301 4.106 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.658 15.567 5.312 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -1.623 13.551 7.409 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.359 15.142 7.187 1.00 0.00 H new ATOM 1316 N LYS A 86 -2.598 11.361 0.410 1.00 0.00 N ATOM 1317 CA LYS A 86 -2.741 12.406 -0.588 1.00 0.00 C ATOM 1318 C LYS A 86 -3.013 13.740 0.111 1.00 0.00 C ATOM 1319 O LYS A 86 -4.024 13.891 0.796 1.00 0.00 O ATOM 1320 CB LYS A 86 -3.808 12.022 -1.617 1.00 0.00 C ATOM 1321 CG LYS A 86 -3.341 10.847 -2.477 1.00 0.00 C ATOM 1322 CD LYS A 86 -4.277 10.635 -3.669 1.00 0.00 C ATOM 1323 CE LYS A 86 -3.694 11.255 -4.941 1.00 0.00 C ATOM 1324 NZ LYS A 86 -4.705 11.268 -6.021 1.00 0.00 N ATOM 0 H LYS A 86 -3.473 11.053 0.834 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.815 12.524 -1.151 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.734 11.758 -1.105 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.029 12.878 -2.254 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.328 11.033 -2.834 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.305 9.941 -1.872 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.441 9.568 -3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.249 11.079 -3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.359 12.272 -4.736 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.819 10.689 -5.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.293 11.692 -6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.005 10.294 -6.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.528 11.828 -5.719 1.00 0.00 H new ATOM 1338 N ASP A 87 -2.094 14.673 -0.086 1.00 0.00 N ATOM 1339 CA ASP A 87 -2.221 15.989 0.517 1.00 0.00 C ATOM 1340 C ASP A 87 -2.509 17.020 -0.576 1.00 0.00 C ATOM 1341 O ASP A 87 -3.503 17.741 -0.509 1.00 0.00 O ATOM 1342 CB ASP A 87 -0.929 16.398 1.225 1.00 0.00 C ATOM 1343 CG ASP A 87 -1.102 16.857 2.674 1.00 0.00 C ATOM 1344 OD1 ASP A 87 -1.365 15.975 3.521 1.00 0.00 O ATOM 1345 OD2 ASP A 87 -0.969 18.078 2.903 1.00 0.00 O ATOM 0 H ASP A 87 -1.257 14.544 -0.655 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.033 15.950 1.244 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.240 15.554 1.207 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.461 17.203 0.658 1.00 0.00 H new ATOM 1350 N LEU A 88 -1.619 17.058 -1.558 1.00 0.00 N ATOM 1351 CA LEU A 88 -1.765 17.990 -2.663 1.00 0.00 C ATOM 1352 C LEU A 88 -0.673 17.718 -3.700 1.00 0.00 C ATOM 1353 O LEU A 88 0.213 16.896 -3.473 1.00 0.00 O ATOM 1354 CB LEU A 88 -1.782 19.431 -2.151 1.00 0.00 C ATOM 1355 CG LEU A 88 -0.551 19.876 -1.360 1.00 0.00 C ATOM 1356 CD1 LEU A 88 0.668 19.023 -1.716 1.00 0.00 C ATOM 1357 CD2 LEU A 88 -0.283 21.370 -1.557 1.00 0.00 C ATOM 0 H LEU A 88 -0.795 16.459 -1.611 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.723 17.843 -3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.901 20.098 -3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.661 19.561 -1.520 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.753 19.722 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.529 19.361 -1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.462 17.978 -1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.883 19.121 -2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.597 21.660 -0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.111 21.572 -2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.145 21.943 -1.214 1.00 0.00 H new ATOM 1369 N ALA A 89 -0.772 18.426 -4.816 1.00 0.00 N ATOM 1370 CA ALA A 89 0.197 18.272 -5.888 1.00 0.00 C ATOM 1371 C ALA A 89 0.397 16.783 -6.178 1.00 0.00 C ATOM 1372 O ALA A 89 -0.286 15.937 -5.603 1.00 0.00 O ATOM 1373 CB ALA A 89 1.501 18.971 -5.502 1.00 0.00 C ATOM 0 H ALA A 89 -1.508 19.107 -5.001 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.165 18.741 -6.803 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.228 18.855 -6.306 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.310 20.031 -5.335 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.896 18.526 -4.589 1.00 0.00 H new ATOM 1379 N ASP A 90 1.338 16.508 -7.070 1.00 0.00 N ATOM 1380 CA ASP A 90 1.636 15.136 -7.444 1.00 0.00 C ATOM 1381 C ASP A 90 2.674 14.563 -6.476 1.00 0.00 C ATOM 1382 O ASP A 90 3.713 14.060 -6.901 1.00 0.00 O ATOM 1383 CB ASP A 90 2.217 15.064 -8.857 1.00 0.00 C ATOM 1384 CG ASP A 90 1.191 15.190 -9.985 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -0.014 15.208 -9.656 1.00 0.00 O ATOM 1386 OD2 ASP A 90 1.636 15.264 -11.151 1.00 0.00 O ATOM 0 H ASP A 90 1.904 17.212 -7.544 1.00 0.00 H new ATOM 0 HA ASP A 90 0.707 14.567 -7.407 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.958 15.856 -8.970 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.744 14.116 -8.969 1.00 0.00 H new ATOM 1391 N THR A 91 2.357 14.658 -5.194 1.00 0.00 N ATOM 1392 CA THR A 91 3.249 14.156 -4.162 1.00 0.00 C ATOM 1393 C THR A 91 2.508 13.179 -3.247 1.00 0.00 C ATOM 1394 O THR A 91 1.282 13.213 -3.158 1.00 0.00 O ATOM 1395 CB THR A 91 3.837 15.357 -3.420 1.00 0.00 C ATOM 1396 OG1 THR A 91 2.711 16.190 -3.160 1.00 0.00 O ATOM 1397 CG2 THR A 91 4.737 16.214 -4.313 1.00 0.00 C ATOM 0 H THR A 91 1.494 15.075 -4.845 1.00 0.00 H new ATOM 0 HA THR A 91 4.073 13.588 -4.593 1.00 0.00 H new ATOM 0 HB THR A 91 4.407 15.008 -2.559 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.901 15.641 -3.117 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.128 17.053 -3.737 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.565 15.609 -4.682 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.159 16.591 -5.157 1.00 0.00 H new ATOM 1405 N LEU A 92 3.285 12.330 -2.589 1.00 0.00 N ATOM 1406 CA LEU A 92 2.718 11.345 -1.684 1.00 0.00 C ATOM 1407 C LEU A 92 3.445 11.418 -0.339 1.00 0.00 C ATOM 1408 O LEU A 92 2.825 11.673 0.692 1.00 0.00 O ATOM 1409 CB LEU A 92 2.742 9.955 -2.321 1.00 0.00 C ATOM 1410 CG LEU A 92 1.483 9.547 -3.088 1.00 0.00 C ATOM 1411 CD1 LEU A 92 1.535 8.069 -3.482 1.00 0.00 C ATOM 1412 CD2 LEU A 92 0.222 9.883 -2.289 1.00 0.00 C ATOM 0 H LEU A 92 4.302 12.304 -2.665 1.00 0.00 H new ATOM 0 HA LEU A 92 1.667 11.564 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.591 9.904 -3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.919 9.220 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 92 1.443 10.125 -4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.628 7.805 -4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.403 7.892 -4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.611 7.456 -2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.659 9.583 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.241 9.350 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.185 10.956 -2.102 1.00 0.00 H new ATOM 1424 N ASN A 93 4.749 11.188 -0.394 1.00 0.00 N ATOM 1425 CA ASN A 93 5.566 11.225 0.807 1.00 0.00 C ATOM 1426 C ASN A 93 5.100 10.130 1.769 1.00 0.00 C ATOM 1427 O ASN A 93 3.902 9.884 1.902 1.00 0.00 O ATOM 1428 CB ASN A 93 5.434 12.570 1.522 1.00 0.00 C ATOM 1429 CG ASN A 93 5.793 13.726 0.587 1.00 0.00 C ATOM 1430 OD1 ASN A 93 6.947 14.076 0.404 1.00 0.00 O ATOM 1431 ND2 ASN A 93 4.742 14.298 0.006 1.00 0.00 N ATOM 0 H ASN A 93 5.260 10.975 -1.251 1.00 0.00 H new ATOM 0 HA ASN A 93 6.605 11.074 0.513 1.00 0.00 H new ATOM 0 HB2 ASN A 93 4.414 12.694 1.885 1.00 0.00 H new ATOM 0 HB3 ASN A 93 6.087 12.587 2.395 1.00 0.00 H new ATOM 0 HD21 ASN A 93 4.877 15.079 -0.636 1.00 0.00 H new ATOM 0 HD22 ASN A 93 3.801 13.956 0.203 1.00 0.00 H new ATOM 1438 N PRO A 94 6.097 9.485 2.433 1.00 0.00 N ATOM 1439 CA PRO A 94 5.801 8.423 3.378 1.00 0.00 C ATOM 1440 C PRO A 94 5.250 8.992 4.688 1.00 0.00 C ATOM 1441 O PRO A 94 5.660 10.067 5.122 1.00 0.00 O ATOM 1442 CB PRO A 94 7.115 7.680 3.559 1.00 0.00 C ATOM 1443 CG PRO A 94 8.199 8.628 3.074 1.00 0.00 C ATOM 1444 CD PRO A 94 7.526 9.750 2.300 1.00 0.00 C ATOM 0 HA PRO A 94 5.023 7.748 3.022 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.271 7.410 4.604 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.122 6.753 2.986 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.760 9.030 3.918 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.911 8.101 2.440 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.788 10.726 2.709 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.833 9.750 1.254 1.00 0.00 H new ATOM 1452 N PHE A 95 4.331 8.244 5.280 1.00 0.00 N ATOM 1453 CA PHE A 95 3.720 8.661 6.531 1.00 0.00 C ATOM 1454 C PHE A 95 4.774 8.824 7.628 1.00 0.00 C ATOM 1455 O PHE A 95 5.936 8.470 7.435 1.00 0.00 O ATOM 1456 CB PHE A 95 2.742 7.558 6.940 1.00 0.00 C ATOM 1457 CG PHE A 95 1.357 7.688 6.303 1.00 0.00 C ATOM 1458 CD1 PHE A 95 0.495 8.646 6.738 1.00 0.00 C ATOM 1459 CD2 PHE A 95 0.987 6.844 5.303 1.00 0.00 C ATOM 1460 CE1 PHE A 95 -0.790 8.767 6.147 1.00 0.00 C ATOM 1461 CE2 PHE A 95 -0.299 6.965 4.712 1.00 0.00 C ATOM 1462 CZ PHE A 95 -1.160 7.923 5.146 1.00 0.00 C ATOM 0 H PHE A 95 3.995 7.352 4.917 1.00 0.00 H new ATOM 0 HA PHE A 95 3.220 9.620 6.399 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.166 6.591 6.669 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.634 7.566 8.025 1.00 0.00 H new ATOM 0 HD1 PHE A 95 0.788 9.315 7.533 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.671 6.082 4.958 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.474 9.529 6.492 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.593 6.295 3.917 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.138 8.014 4.696 1.00 0.00 H new ATOM 1472 N ALA A 96 4.330 9.359 8.756 1.00 0.00 N ATOM 1473 CA ALA A 96 5.221 9.573 9.884 1.00 0.00 C ATOM 1474 C ALA A 96 4.630 8.906 11.128 1.00 0.00 C ATOM 1475 O ALA A 96 3.545 8.330 11.072 1.00 0.00 O ATOM 1476 CB ALA A 96 5.447 11.074 10.079 1.00 0.00 C ATOM 0 H ALA A 96 3.365 9.651 8.913 1.00 0.00 H new ATOM 0 HA ALA A 96 6.194 9.119 9.696 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.115 11.234 10.925 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.894 11.495 9.178 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.493 11.564 10.273 1.00 0.00 H new ATOM 1482 N GLU A 97 5.371 9.006 12.222 1.00 0.00 N ATOM 1483 CA GLU A 97 4.934 8.420 13.478 1.00 0.00 C ATOM 1484 C GLU A 97 3.658 9.106 13.969 1.00 0.00 C ATOM 1485 O GLU A 97 3.711 10.210 14.509 1.00 0.00 O ATOM 1486 CB GLU A 97 6.039 8.498 14.533 1.00 0.00 C ATOM 1487 CG GLU A 97 6.363 7.111 15.092 1.00 0.00 C ATOM 1488 CD GLU A 97 7.823 7.027 15.542 1.00 0.00 C ATOM 1489 OE1 GLU A 97 8.695 7.070 14.648 1.00 0.00 O ATOM 1490 OE2 GLU A 97 8.033 6.923 16.769 1.00 0.00 O ATOM 0 H GLU A 97 6.271 9.484 12.265 1.00 0.00 H new ATOM 0 HA GLU A 97 4.714 7.366 13.307 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.936 8.935 14.094 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.727 9.157 15.343 1.00 0.00 H new ATOM 0 HG2 GLU A 97 5.706 6.892 15.934 1.00 0.00 H new ATOM 0 HG3 GLU A 97 6.169 6.354 14.332 1.00 0.00 H new ATOM 1497 N ASN A 98 2.541 8.424 13.763 1.00 0.00 N ATOM 1498 CA ASN A 98 1.253 8.954 14.178 1.00 0.00 C ATOM 1499 C ASN A 98 0.517 7.901 15.009 1.00 0.00 C ATOM 1500 O ASN A 98 0.525 6.720 14.668 1.00 0.00 O ATOM 1501 CB ASN A 98 0.382 9.295 12.968 1.00 0.00 C ATOM 1502 CG ASN A 98 0.137 8.058 12.102 1.00 0.00 C ATOM 1503 OD1 ASN A 98 0.985 7.193 11.956 1.00 0.00 O ATOM 1504 ND2 ASN A 98 -1.067 8.021 11.539 1.00 0.00 N ATOM 0 H ASN A 98 2.501 7.509 13.314 1.00 0.00 H new ATOM 0 HA ASN A 98 1.432 9.858 14.759 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -0.571 9.702 13.305 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.867 10.069 12.373 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -1.328 7.235 10.943 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.730 8.779 11.703 1.00 0.00 H new ATOM 1511 N SER A 99 -0.102 8.369 16.083 1.00 0.00 N ATOM 1512 CA SER A 99 -0.842 7.482 16.966 1.00 0.00 C ATOM 1513 C SER A 99 -2.309 7.422 16.536 1.00 0.00 C ATOM 1514 O SER A 99 -2.892 8.437 16.160 1.00 0.00 O ATOM 1515 CB SER A 99 -0.734 7.938 18.422 1.00 0.00 C ATOM 1516 OG SER A 99 -1.569 9.059 18.694 1.00 0.00 O ATOM 0 H SER A 99 -0.107 9.350 16.362 1.00 0.00 H new ATOM 0 HA SER A 99 -0.407 6.485 16.893 1.00 0.00 H new ATOM 0 HB2 SER A 99 -1.008 7.114 19.081 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.301 8.195 18.646 1.00 0.00 H new ATOM 0 HG SER A 99 -1.473 9.318 19.634 1.00 0.00 H new ATOM 1522 N GLY A 100 -2.864 6.220 16.607 1.00 0.00 N ATOM 1523 CA GLY A 100 -4.252 6.014 16.230 1.00 0.00 C ATOM 1524 C GLY A 100 -4.856 4.830 16.988 1.00 0.00 C ATOM 1525 O GLY A 100 -4.134 3.935 17.424 1.00 0.00 O ATOM 0 H GLY A 100 -2.378 5.380 16.920 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.827 6.916 16.439 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.318 5.835 15.157 1.00 0.00 H new ATOM 1529 N PRO A 101 -6.209 4.865 17.125 1.00 0.00 N ATOM 1530 CA PRO A 101 -6.918 3.806 17.823 1.00 0.00 C ATOM 1531 C PRO A 101 -7.003 2.544 16.962 1.00 0.00 C ATOM 1532 O PRO A 101 -8.094 2.112 16.593 1.00 0.00 O ATOM 1533 CB PRO A 101 -8.280 4.394 18.150 1.00 0.00 C ATOM 1534 CG PRO A 101 -8.453 5.587 17.224 1.00 0.00 C ATOM 1535 CD PRO A 101 -7.096 5.910 16.621 1.00 0.00 C ATOM 0 HA PRO A 101 -6.408 3.486 18.732 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -9.070 3.660 17.993 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.333 4.700 19.195 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.175 5.360 16.440 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.840 6.445 17.775 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.135 5.905 15.532 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -6.754 6.900 16.923 1.00 0.00 H new ATOM 1543 N SER A 102 -5.837 1.987 16.667 1.00 0.00 N ATOM 1544 CA SER A 102 -5.766 0.783 15.857 1.00 0.00 C ATOM 1545 C SER A 102 -6.340 -0.404 16.632 1.00 0.00 C ATOM 1546 O SER A 102 -5.752 -0.850 17.616 1.00 0.00 O ATOM 1547 CB SER A 102 -4.326 0.492 15.429 1.00 0.00 C ATOM 1548 OG SER A 102 -4.239 -0.668 14.605 1.00 0.00 O ATOM 0 H SER A 102 -4.934 2.348 16.975 1.00 0.00 H new ATOM 0 HA SER A 102 -6.359 0.941 14.956 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.927 1.351 14.889 1.00 0.00 H new ATOM 0 HB3 SER A 102 -3.705 0.356 16.314 1.00 0.00 H new ATOM 0 HG SER A 102 -3.305 -0.820 14.351 1.00 0.00 H new ATOM 1554 N SER A 103 -7.482 -0.882 16.160 1.00 0.00 N ATOM 1555 CA SER A 103 -8.142 -2.009 16.796 1.00 0.00 C ATOM 1556 C SER A 103 -7.879 -3.288 15.999 1.00 0.00 C ATOM 1557 O SER A 103 -8.717 -3.713 15.205 1.00 0.00 O ATOM 1558 CB SER A 103 -9.647 -1.765 16.926 1.00 0.00 C ATOM 1559 OG SER A 103 -10.280 -1.651 15.654 1.00 0.00 O ATOM 0 H SER A 103 -7.967 -0.509 15.344 1.00 0.00 H new ATOM 0 HA SER A 103 -7.732 -2.123 17.799 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.100 -2.584 17.485 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.819 -0.854 17.500 1.00 0.00 H new ATOM 0 HG SER A 103 -9.927 -2.337 15.050 1.00 0.00 H new ATOM 1565 N GLY A 104 -6.711 -3.867 16.239 1.00 0.00 N ATOM 1566 CA GLY A 104 -6.327 -5.089 15.553 1.00 0.00 C ATOM 1567 C GLY A 104 -5.173 -4.833 14.581 1.00 0.00 C ATOM 1568 O GLY A 104 -4.400 -3.895 14.764 1.00 0.00 O ATOM 0 H GLY A 104 -6.019 -3.512 16.899 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.032 -5.843 16.283 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -7.183 -5.490 15.010 1.00 0.00 H new TER 1572 GLY A 104