USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 669 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 38 TYR OH : rot -161:sc= 0.77 USER MOD Set 1.2: A 84 GLN : amide:sc= 0.594 K(o=1.4,f=0.33) USER MOD Set 2.1: A 57 MET CE :methyl 165:sc= -0.115 (180deg=-0.432) USER MOD Set 2.2: A 65 CYS SG : rot -53:sc= -0.106 USER MOD Set 3.1: A 25 GLN : amide:sc= -0.154 K(o=0.44,f=-0.42) USER MOD Set 3.2: A 63 CYS SG : rot -22:sc= 0.59 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 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 17:sc= 0.556 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.028 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -2.22 K(o=-2.2,f=-3.5!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -2.83! C(o=-2.8!,f=-7.7!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.256 F(o=-1.4,f=-0.26) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot -30:sc= -0.799 USER MOD Single : A 48 SER OG : rot -46:sc= 0.497 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 11:sc= 0.215 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.167 K(o=-0.17,f=-1.9!) USER MOD Single : A 80 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.34) USER MOD Single : A 82 HIS : no HD1:sc= -0.968 X(o=-0.97,f=-0.9) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0288 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc=0.000682 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.945 -1.615 -6.917 1.00 0.00 N ATOM 2 CA GLY A 1 9.765 -0.909 -7.381 1.00 0.00 C ATOM 3 C GLY A 1 9.201 0.029 -6.332 1.00 0.00 C ATOM 4 O GLY A 1 9.674 1.154 -6.177 1.00 0.00 O ATOM 0 H1 GLY A 1 11.292 -2.243 -7.670 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.686 -0.928 -6.670 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.704 -2.181 -6.078 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.015 -0.340 -8.276 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.001 -1.632 -7.666 1.00 0.00 H new ATOM 8 N SER A 2 8.185 -0.435 -5.611 1.00 0.00 N ATOM 9 CA SER A 2 7.552 0.372 -4.575 1.00 0.00 C ATOM 10 C SER A 2 7.011 -0.510 -3.454 1.00 0.00 C ATOM 11 O SER A 2 6.553 -1.627 -3.694 1.00 0.00 O ATOM 12 CB SER A 2 6.419 1.209 -5.173 1.00 0.00 C ATOM 13 OG SER A 2 6.083 2.293 -4.324 1.00 0.00 O ATOM 0 H SER A 2 7.783 -1.365 -5.725 1.00 0.00 H new ATOM 0 HA SER A 2 8.306 1.039 -4.157 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.719 1.588 -6.150 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.542 0.581 -5.330 1.00 0.00 H new ATOM 0 HG SER A 2 5.358 2.813 -4.729 1.00 0.00 H new ATOM 19 N SER A 3 7.067 0.001 -2.228 1.00 0.00 N ATOM 20 CA SER A 3 6.587 -0.741 -1.068 1.00 0.00 C ATOM 21 C SER A 3 5.082 -0.976 -1.158 1.00 0.00 C ATOM 22 O SER A 3 4.302 -0.034 -1.286 1.00 0.00 O ATOM 23 CB SER A 3 6.920 0.015 0.220 1.00 0.00 C ATOM 24 OG SER A 3 7.545 -0.838 1.164 1.00 0.00 O ATOM 0 H SER A 3 7.440 0.926 -2.012 1.00 0.00 H new ATOM 0 HA SER A 3 7.088 -1.709 -1.054 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.577 0.855 -0.007 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.008 0.430 0.648 1.00 0.00 H new ATOM 0 HG SER A 3 7.749 -0.331 1.978 1.00 0.00 H new ATOM 30 N GLY A 4 4.683 -2.242 -1.091 1.00 0.00 N ATOM 31 CA GLY A 4 3.273 -2.580 -1.167 1.00 0.00 C ATOM 32 C GLY A 4 2.455 -1.902 -0.087 1.00 0.00 C ATOM 33 O GLY A 4 1.528 -1.148 -0.382 1.00 0.00 O ATOM 0 H GLY A 4 5.310 -3.040 -0.986 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.886 -2.294 -2.145 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.157 -3.660 -1.082 1.00 0.00 H new ATOM 37 N SER A 5 2.798 -2.170 1.169 1.00 0.00 N ATOM 38 CA SER A 5 2.085 -1.584 2.298 1.00 0.00 C ATOM 39 C SER A 5 2.215 -0.064 2.293 1.00 0.00 C ATOM 40 O SER A 5 3.274 0.479 1.979 1.00 0.00 O ATOM 41 CB SER A 5 2.620 -2.148 3.616 1.00 0.00 C ATOM 42 OG SER A 5 2.493 -3.559 3.655 1.00 0.00 O ATOM 0 H SER A 5 3.565 -2.789 1.430 1.00 0.00 H new ATOM 0 HA SER A 5 1.030 -1.842 2.202 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.667 -1.870 3.736 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.076 -1.707 4.451 1.00 0.00 H new ATOM 0 HG SER A 5 2.843 -3.896 4.506 1.00 0.00 H new ATOM 48 N SER A 6 1.129 0.618 2.643 1.00 0.00 N ATOM 49 CA SER A 6 1.119 2.076 2.675 1.00 0.00 C ATOM 50 C SER A 6 2.265 2.608 3.531 1.00 0.00 C ATOM 51 O SER A 6 2.771 1.914 4.411 1.00 0.00 O ATOM 52 CB SER A 6 -0.217 2.586 3.218 1.00 0.00 C ATOM 53 OG SER A 6 -0.402 2.196 4.568 1.00 0.00 O ATOM 0 H SER A 6 0.245 0.184 2.908 1.00 0.00 H new ATOM 0 HA SER A 6 1.251 2.438 1.655 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.253 3.673 3.142 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.033 2.197 2.609 1.00 0.00 H new ATOM 0 HG SER A 6 -1.262 2.536 4.892 1.00 0.00 H new ATOM 59 N GLY A 7 2.669 3.847 3.264 1.00 0.00 N ATOM 60 CA GLY A 7 3.751 4.452 4.017 1.00 0.00 C ATOM 61 C GLY A 7 3.489 4.455 5.510 1.00 0.00 C ATOM 62 O GLY A 7 2.357 4.666 5.946 1.00 0.00 O ATOM 0 H GLY A 7 2.266 4.442 2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.676 3.912 3.815 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.899 5.476 3.675 1.00 0.00 H new ATOM 66 N GLN A 8 4.536 4.220 6.294 1.00 0.00 N ATOM 67 CA GLN A 8 4.411 4.194 7.746 1.00 0.00 C ATOM 68 C GLN A 8 5.783 4.124 8.409 1.00 0.00 C ATOM 69 O GLN A 8 6.684 3.442 7.923 1.00 0.00 O ATOM 70 CB GLN A 8 3.559 3.002 8.185 1.00 0.00 C ATOM 71 CG GLN A 8 2.712 3.280 9.416 1.00 0.00 C ATOM 72 CD GLN A 8 2.028 2.036 9.948 1.00 0.00 C ATOM 73 OE1 GLN A 8 2.497 1.416 10.903 1.00 0.00 O ATOM 74 NE2 GLN A 8 0.913 1.663 9.331 1.00 0.00 N ATOM 0 H GLN A 8 5.480 4.045 5.948 1.00 0.00 H new ATOM 0 HA GLN A 8 3.922 5.116 8.060 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.905 2.711 7.363 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.213 2.154 8.388 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.342 3.706 10.197 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.958 4.028 9.172 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.560 2.206 8.543 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.410 0.833 9.645 1.00 0.00 H new ATOM 83 N MET A 9 5.934 4.836 9.521 1.00 0.00 N ATOM 84 CA MET A 9 7.196 4.854 10.251 1.00 0.00 C ATOM 85 C MET A 9 7.051 5.605 11.571 1.00 0.00 C ATOM 86 O MET A 9 7.632 6.674 11.755 1.00 0.00 O ATOM 87 CB MET A 9 8.292 5.501 9.402 1.00 0.00 C ATOM 88 CG MET A 9 9.698 5.211 9.901 1.00 0.00 C ATOM 89 SD MET A 9 10.463 3.816 9.052 1.00 0.00 S ATOM 90 CE MET A 9 10.963 2.806 10.444 1.00 0.00 C ATOM 0 H MET A 9 5.198 5.408 9.936 1.00 0.00 H new ATOM 0 HA MET A 9 7.475 3.823 10.468 1.00 0.00 H new ATOM 0 HB2 MET A 9 8.200 5.149 8.375 1.00 0.00 H new ATOM 0 HB3 MET A 9 8.137 6.580 9.384 1.00 0.00 H new ATOM 0 HG2 MET A 9 10.317 6.098 9.766 1.00 0.00 H new ATOM 0 HG3 MET A 9 9.664 5.006 10.971 1.00 0.00 H new ATOM 0 HE1 MET A 9 11.453 1.903 10.081 1.00 0.00 H new ATOM 0 HE2 MET A 9 11.655 3.368 11.071 1.00 0.00 H new ATOM 0 HE3 MET A 9 10.085 2.532 11.029 1.00 0.00 H new ATOM 100 N SER A 10 6.271 5.038 12.486 1.00 0.00 N ATOM 101 CA SER A 10 6.046 5.656 13.787 1.00 0.00 C ATOM 102 C SER A 10 7.050 5.142 14.814 1.00 0.00 C ATOM 103 O SER A 10 7.131 3.940 15.073 1.00 0.00 O ATOM 104 CB SER A 10 4.620 5.378 14.268 1.00 0.00 C ATOM 105 OG SER A 10 4.448 4.008 14.586 1.00 0.00 O ATOM 0 H SER A 10 5.784 4.152 12.350 1.00 0.00 H new ATOM 0 HA SER A 10 6.182 6.732 13.678 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.403 5.988 15.145 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.909 5.667 13.494 1.00 0.00 H new ATOM 0 HG SER A 10 5.325 3.585 14.694 1.00 0.00 H new ATOM 111 N LEU A 11 7.814 6.060 15.397 1.00 0.00 N ATOM 112 CA LEU A 11 8.814 5.701 16.396 1.00 0.00 C ATOM 113 C LEU A 11 8.860 6.735 17.516 1.00 0.00 C ATOM 114 O LEU A 11 9.666 7.664 17.483 1.00 0.00 O ATOM 115 CB LEU A 11 10.193 5.577 15.745 1.00 0.00 C ATOM 116 CG LEU A 11 10.491 4.246 15.053 1.00 0.00 C ATOM 117 CD1 LEU A 11 11.558 4.427 13.984 1.00 0.00 C ATOM 118 CD2 LEU A 11 10.924 3.201 16.070 1.00 0.00 C ATOM 0 H LEU A 11 7.760 7.058 15.195 1.00 0.00 H new ATOM 0 HA LEU A 11 8.534 4.739 16.825 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.300 6.377 15.012 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.951 5.743 16.511 1.00 0.00 H new ATOM 0 HG LEU A 11 9.578 3.897 14.570 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.757 3.470 13.503 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.209 5.142 13.239 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.474 4.799 14.443 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.132 2.261 15.559 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.824 3.542 16.582 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.127 3.050 16.798 1.00 0.00 H new ATOM 130 N GLU A 12 7.990 6.565 18.507 1.00 0.00 N ATOM 131 CA GLU A 12 7.933 7.484 19.639 1.00 0.00 C ATOM 132 C GLU A 12 6.892 7.028 20.657 1.00 0.00 C ATOM 133 O GLU A 12 5.935 6.336 20.316 1.00 0.00 O ATOM 134 CB GLU A 12 7.607 8.899 19.158 1.00 0.00 C ATOM 135 CG GLU A 12 6.363 8.976 18.289 1.00 0.00 C ATOM 136 CD GLU A 12 6.617 9.674 16.967 1.00 0.00 C ATOM 137 OE1 GLU A 12 7.188 10.784 16.982 1.00 0.00 O ATOM 138 OE2 GLU A 12 6.244 9.109 15.918 1.00 0.00 O ATOM 0 H GLU A 12 7.316 5.801 18.549 1.00 0.00 H new ATOM 0 HA GLU A 12 8.910 7.488 20.122 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.475 9.547 20.025 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.457 9.287 18.596 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.995 7.968 18.098 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.579 9.505 18.830 1.00 0.00 H new ATOM 145 N GLY A 13 7.089 7.422 21.912 1.00 0.00 N ATOM 146 CA GLY A 13 6.160 7.045 22.962 1.00 0.00 C ATOM 147 C GLY A 13 5.185 8.155 23.299 1.00 0.00 C ATOM 148 O GLY A 13 5.590 9.266 23.642 1.00 0.00 O ATOM 0 H GLY A 13 7.875 7.995 22.220 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.605 6.160 22.651 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.719 6.773 23.857 1.00 0.00 H new ATOM 152 N THR A 14 3.893 7.856 23.201 1.00 0.00 N ATOM 153 CA THR A 14 2.857 8.837 23.496 1.00 0.00 C ATOM 154 C THR A 14 1.576 8.159 23.970 1.00 0.00 C ATOM 155 O THR A 14 0.847 7.567 23.175 1.00 0.00 O ATOM 156 CB THR A 14 2.539 9.705 22.264 1.00 0.00 C ATOM 157 OG1 THR A 14 3.095 9.108 21.087 1.00 0.00 O ATOM 158 CG2 THR A 14 3.093 11.112 22.435 1.00 0.00 C ATOM 0 H THR A 14 3.540 6.942 22.919 1.00 0.00 H new ATOM 0 HA THR A 14 3.243 9.475 24.291 1.00 0.00 H new ATOM 0 HB THR A 14 1.456 9.768 22.162 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.887 9.665 20.308 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.856 11.706 21.552 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.646 11.575 23.315 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.175 11.064 22.560 1.00 0.00 H new ATOM 166 N GLU A 15 1.309 8.251 25.269 1.00 0.00 N ATOM 167 CA GLU A 15 0.116 7.646 25.847 1.00 0.00 C ATOM 168 C GLU A 15 -0.791 8.709 26.461 1.00 0.00 C ATOM 169 O GLU A 15 -0.392 9.863 26.625 1.00 0.00 O ATOM 170 CB GLU A 15 0.503 6.616 26.910 1.00 0.00 C ATOM 171 CG GLU A 15 1.417 7.170 27.990 1.00 0.00 C ATOM 172 CD GLU A 15 2.795 6.537 27.971 1.00 0.00 C ATOM 173 OE1 GLU A 15 3.382 6.426 26.874 1.00 0.00 O ATOM 174 OE2 GLU A 15 3.285 6.152 29.053 1.00 0.00 O ATOM 0 H GLU A 15 1.903 8.738 25.940 1.00 0.00 H new ATOM 0 HA GLU A 15 -0.429 7.145 25.047 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.403 6.229 27.376 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.996 5.774 26.425 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.515 8.248 27.860 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.960 7.007 28.966 1.00 0.00 H new ATOM 181 N LYS A 16 -2.014 8.313 26.797 1.00 0.00 N ATOM 182 CA LYS A 16 -2.979 9.230 27.393 1.00 0.00 C ATOM 183 C LYS A 16 -3.288 10.385 26.446 1.00 0.00 C ATOM 184 O LYS A 16 -2.734 10.467 25.350 1.00 0.00 O ATOM 185 CB LYS A 16 -2.445 9.773 28.720 1.00 0.00 C ATOM 186 CG LYS A 16 -3.274 9.361 29.924 1.00 0.00 C ATOM 187 CD LYS A 16 -3.871 10.567 30.629 1.00 0.00 C ATOM 188 CE LYS A 16 -5.122 10.193 31.409 1.00 0.00 C ATOM 189 NZ LYS A 16 -4.808 9.818 32.816 1.00 0.00 N ATOM 0 H LYS A 16 -2.361 7.363 26.667 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.901 8.678 27.578 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.421 9.426 28.859 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.409 10.861 28.669 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.073 8.692 29.605 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.651 8.802 30.622 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.133 10.996 31.307 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.114 11.335 29.895 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.818 11.032 31.404 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.623 9.361 30.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.687 9.570 33.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.164 9.001 32.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.353 10.621 33.296 1.00 0.00 H new ATOM 203 N ALA A 17 -4.176 11.275 26.876 1.00 0.00 N ATOM 204 CA ALA A 17 -4.555 12.428 26.068 1.00 0.00 C ATOM 205 C ALA A 17 -4.945 13.611 26.947 1.00 0.00 C ATOM 206 O ALA A 17 -5.653 13.451 27.942 1.00 0.00 O ATOM 207 CB ALA A 17 -5.699 12.063 25.133 1.00 0.00 C ATOM 0 H ALA A 17 -4.647 11.220 27.779 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.691 12.722 25.472 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.972 12.933 24.536 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.386 11.254 24.474 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.560 11.741 25.719 1.00 0.00 H new ATOM 213 N SER A 18 -4.478 14.798 26.575 1.00 0.00 N ATOM 214 CA SER A 18 -4.774 16.008 27.333 1.00 0.00 C ATOM 215 C SER A 18 -6.276 16.279 27.358 1.00 0.00 C ATOM 216 O SER A 18 -6.768 17.030 28.201 1.00 0.00 O ATOM 217 CB SER A 18 -4.038 17.206 26.731 1.00 0.00 C ATOM 218 OG SER A 18 -4.087 17.175 25.315 1.00 0.00 O ATOM 0 H SER A 18 -3.893 14.948 25.753 1.00 0.00 H new ATOM 0 HA SER A 18 -4.432 15.858 28.357 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.486 18.131 27.093 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.000 17.203 27.062 1.00 0.00 H new ATOM 0 HG SER A 18 -3.611 17.952 24.954 1.00 0.00 H new ATOM 224 N TRP A 19 -6.997 15.663 26.429 1.00 0.00 N ATOM 225 CA TRP A 19 -8.442 15.838 26.343 1.00 0.00 C ATOM 226 C TRP A 19 -9.170 14.559 26.742 1.00 0.00 C ATOM 227 O TRP A 19 -10.350 14.382 26.436 1.00 0.00 O ATOM 228 CB TRP A 19 -8.844 16.246 24.925 1.00 0.00 C ATOM 229 CG TRP A 19 -8.160 15.445 23.859 1.00 0.00 C ATOM 230 CD1 TRP A 19 -6.993 15.757 23.221 1.00 0.00 C ATOM 231 CD2 TRP A 19 -8.601 14.199 23.307 1.00 0.00 C ATOM 232 NE1 TRP A 19 -6.683 14.780 22.305 1.00 0.00 N ATOM 233 CE2 TRP A 19 -7.652 13.814 22.340 1.00 0.00 C ATOM 234 CE3 TRP A 19 -9.703 13.372 23.538 1.00 0.00 C ATOM 235 CZ2 TRP A 19 -7.776 12.638 21.604 1.00 0.00 C ATOM 236 CZ3 TRP A 19 -9.824 12.205 22.807 1.00 0.00 C ATOM 237 CH2 TRP A 19 -8.865 11.847 21.850 1.00 0.00 C ATOM 0 H TRP A 19 -6.605 15.038 25.725 1.00 0.00 H new ATOM 0 HA TRP A 19 -8.729 16.629 27.036 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -9.923 16.136 24.815 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -8.614 17.302 24.780 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.401 16.641 23.409 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -5.864 14.776 21.698 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -10.447 13.639 24.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -7.039 12.360 20.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -10.672 11.558 22.976 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -8.988 10.928 21.296 1.00 0.00 H new ATOM 248 N LEU A 20 -8.460 13.669 27.428 1.00 0.00 N ATOM 249 CA LEU A 20 -9.039 12.405 27.869 1.00 0.00 C ATOM 250 C LEU A 20 -9.316 12.428 29.369 1.00 0.00 C ATOM 251 O LEU A 20 -8.409 12.630 30.175 1.00 0.00 O ATOM 252 CB LEU A 20 -8.101 11.246 27.530 1.00 0.00 C ATOM 253 CG LEU A 20 -8.409 10.488 26.238 1.00 0.00 C ATOM 254 CD1 LEU A 20 -7.377 9.398 25.999 1.00 0.00 C ATOM 255 CD2 LEU A 20 -9.811 9.897 26.288 1.00 0.00 C ATOM 0 H LEU A 20 -7.483 13.800 27.690 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.984 12.264 27.345 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.085 11.635 27.466 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.120 10.536 28.357 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.362 11.191 25.407 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.613 8.870 25.075 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.387 9.846 25.918 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.390 8.695 26.832 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.013 9.361 25.361 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.885 9.208 27.129 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.540 10.698 26.410 1.00 0.00 H new ATOM 267 N GLY A 21 -10.576 12.217 29.736 1.00 0.00 N ATOM 268 CA GLY A 21 -10.950 12.215 31.139 1.00 0.00 C ATOM 269 C GLY A 21 -11.853 13.378 31.499 1.00 0.00 C ATOM 270 O GLY A 21 -12.532 13.349 32.525 1.00 0.00 O ATOM 0 H GLY A 21 -11.345 12.047 29.087 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.456 11.279 31.376 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.050 12.255 31.752 1.00 0.00 H new ATOM 274 N GLU A 22 -11.860 14.404 30.654 1.00 0.00 N ATOM 275 CA GLU A 22 -12.686 15.583 30.892 1.00 0.00 C ATOM 276 C GLU A 22 -13.646 15.818 29.729 1.00 0.00 C ATOM 277 O GLU A 22 -13.301 15.588 28.571 1.00 0.00 O ATOM 278 CB GLU A 22 -11.805 16.817 31.097 1.00 0.00 C ATOM 279 CG GLU A 22 -12.546 18.002 31.693 1.00 0.00 C ATOM 280 CD GLU A 22 -12.938 17.777 33.140 1.00 0.00 C ATOM 281 OE1 GLU A 22 -12.029 17.643 33.987 1.00 0.00 O ATOM 282 OE2 GLU A 22 -14.152 17.734 33.427 1.00 0.00 O ATOM 0 H GLU A 22 -11.304 14.443 29.800 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.271 15.409 31.795 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.973 16.554 31.750 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.378 17.111 30.138 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.918 18.890 31.625 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.442 18.199 31.104 1.00 0.00 H new ATOM 289 N GLN A 23 -14.852 16.276 30.049 1.00 0.00 N ATOM 290 CA GLN A 23 -15.862 16.541 29.032 1.00 0.00 C ATOM 291 C GLN A 23 -15.369 17.581 28.032 1.00 0.00 C ATOM 292 O GLN A 23 -14.439 18.343 28.299 1.00 0.00 O ATOM 293 CB GLN A 23 -17.161 17.019 29.685 1.00 0.00 C ATOM 294 CG GLN A 23 -18.089 15.887 30.092 1.00 0.00 C ATOM 295 CD GLN A 23 -19.275 16.368 30.905 1.00 0.00 C ATOM 296 OE1 GLN A 23 -20.408 16.380 30.425 1.00 0.00 O ATOM 297 NE2 GLN A 23 -19.019 16.770 32.145 1.00 0.00 N ATOM 0 H GLN A 23 -15.153 16.471 31.004 1.00 0.00 H new ATOM 0 HA GLN A 23 -16.054 15.611 28.496 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -16.918 17.613 30.566 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -17.686 17.677 28.992 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -18.449 15.378 29.198 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -17.529 15.154 30.672 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -18.064 16.743 32.503 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -19.777 17.105 32.739 1.00 0.00 H new ATOM 306 N PRO A 24 -16.004 17.616 26.851 1.00 0.00 N ATOM 307 CA PRO A 24 -15.647 18.560 25.788 1.00 0.00 C ATOM 308 C PRO A 24 -16.015 19.997 26.139 1.00 0.00 C ATOM 309 O PRO A 24 -15.644 20.933 25.431 1.00 0.00 O ATOM 310 CB PRO A 24 -16.470 18.074 24.592 1.00 0.00 C ATOM 311 CG PRO A 24 -17.632 17.363 25.195 1.00 0.00 C ATOM 312 CD PRO A 24 -17.122 16.739 26.464 1.00 0.00 C ATOM 0 HA PRO A 24 -14.573 18.580 25.605 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.796 18.908 23.970 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.887 17.410 23.954 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.449 18.055 25.401 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.021 16.604 24.516 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.893 16.707 27.234 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.791 15.713 26.302 1.00 0.00 H new ATOM 320 N GLN A 25 -16.746 20.164 27.237 1.00 0.00 N ATOM 321 CA GLN A 25 -17.163 21.489 27.682 1.00 0.00 C ATOM 322 C GLN A 25 -16.077 22.148 28.524 1.00 0.00 C ATOM 323 O GLN A 25 -16.013 23.373 28.626 1.00 0.00 O ATOM 324 CB GLN A 25 -18.462 21.394 28.485 1.00 0.00 C ATOM 325 CG GLN A 25 -19.509 20.498 27.845 1.00 0.00 C ATOM 326 CD GLN A 25 -20.876 21.151 27.783 1.00 0.00 C ATOM 327 OE1 GLN A 25 -20.991 22.360 27.583 1.00 0.00 O ATOM 328 NE2 GLN A 25 -21.923 20.351 27.955 1.00 0.00 N ATOM 0 H GLN A 25 -17.061 19.399 27.834 1.00 0.00 H new ATOM 0 HA GLN A 25 -17.334 22.104 26.799 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.236 21.019 29.483 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.878 22.394 28.607 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -19.190 20.235 26.836 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.580 19.568 28.409 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.782 19.354 28.118 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -22.868 20.734 27.924 1.00 0.00 H new ATOM 337 N PHE A 26 -15.223 21.327 29.128 1.00 0.00 N ATOM 338 CA PHE A 26 -14.139 21.831 29.963 1.00 0.00 C ATOM 339 C PHE A 26 -12.786 21.600 29.296 1.00 0.00 C ATOM 340 O PHE A 26 -11.838 21.144 29.934 1.00 0.00 O ATOM 341 CB PHE A 26 -14.167 21.152 31.334 1.00 0.00 C ATOM 342 CG PHE A 26 -15.460 21.345 32.073 1.00 0.00 C ATOM 343 CD1 PHE A 26 -16.532 20.494 31.854 1.00 0.00 C ATOM 344 CD2 PHE A 26 -15.605 22.377 32.986 1.00 0.00 C ATOM 345 CE1 PHE A 26 -17.723 20.670 32.532 1.00 0.00 C ATOM 346 CE2 PHE A 26 -16.794 22.557 33.668 1.00 0.00 C ATOM 347 CZ PHE A 26 -17.854 21.702 33.441 1.00 0.00 C ATOM 0 H PHE A 26 -15.261 20.310 29.055 1.00 0.00 H new ATOM 0 HA PHE A 26 -14.281 22.904 30.093 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.987 20.085 31.205 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.350 21.542 31.940 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.435 19.685 31.146 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.779 23.049 33.167 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -18.551 20.001 32.351 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.894 23.365 34.377 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.784 21.840 33.973 1.00 0.00 H new ATOM 357 N TRP A 27 -12.707 21.919 28.009 1.00 0.00 N ATOM 358 CA TRP A 27 -11.470 21.746 27.255 1.00 0.00 C ATOM 359 C TRP A 27 -10.700 23.059 27.164 1.00 0.00 C ATOM 360 O TRP A 27 -11.264 24.135 27.363 1.00 0.00 O ATOM 361 CB TRP A 27 -11.775 21.221 25.851 1.00 0.00 C ATOM 362 CG TRP A 27 -11.944 19.733 25.797 1.00 0.00 C ATOM 363 CD1 TRP A 27 -11.981 18.874 26.858 1.00 0.00 C ATOM 364 CD2 TRP A 27 -12.096 18.930 24.622 1.00 0.00 C ATOM 365 NE1 TRP A 27 -12.147 17.584 26.412 1.00 0.00 N ATOM 366 CE2 TRP A 27 -12.222 17.592 25.045 1.00 0.00 C ATOM 367 CE3 TRP A 27 -12.140 19.211 23.253 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -12.387 16.541 24.147 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -12.305 18.166 22.364 1.00 0.00 C ATOM 370 CH2 TRP A 27 -12.427 16.844 22.814 1.00 0.00 C ATOM 0 H TRP A 27 -13.483 22.298 27.466 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.851 21.019 27.781 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -12.684 21.696 25.483 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -10.968 21.512 25.179 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -11.893 19.165 27.894 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -12.205 16.755 27.004 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -12.047 20.226 22.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -12.480 15.522 24.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.341 18.371 21.304 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.555 16.049 22.094 1.00 0.00 H new ATOM 381 N SER A 28 -9.409 22.964 26.863 1.00 0.00 N ATOM 382 CA SER A 28 -8.562 24.145 26.749 1.00 0.00 C ATOM 383 C SER A 28 -8.256 24.456 25.287 1.00 0.00 C ATOM 384 O SER A 28 -8.493 23.633 24.402 1.00 0.00 O ATOM 385 CB SER A 28 -7.257 23.938 27.521 1.00 0.00 C ATOM 386 OG SER A 28 -7.126 24.888 28.564 1.00 0.00 O ATOM 0 H SER A 28 -8.927 22.081 26.694 1.00 0.00 H new ATOM 0 HA SER A 28 -9.100 24.990 27.177 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.233 22.931 27.937 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.410 24.022 26.840 1.00 0.00 H new ATOM 0 HG SER A 28 -6.285 24.734 29.043 1.00 0.00 H new ATOM 392 N LYS A 29 -7.729 25.650 25.040 1.00 0.00 N ATOM 393 CA LYS A 29 -7.389 26.072 23.687 1.00 0.00 C ATOM 394 C LYS A 29 -6.413 25.094 23.041 1.00 0.00 C ATOM 395 O LYS A 29 -6.356 24.974 21.816 1.00 0.00 O ATOM 396 CB LYS A 29 -6.782 27.477 23.706 1.00 0.00 C ATOM 397 CG LYS A 29 -7.781 28.566 24.057 1.00 0.00 C ATOM 398 CD LYS A 29 -7.167 29.611 24.973 1.00 0.00 C ATOM 399 CE LYS A 29 -8.221 30.562 25.520 1.00 0.00 C ATOM 400 NZ LYS A 29 -7.855 31.081 26.866 1.00 0.00 N ATOM 0 H LYS A 29 -7.528 26.343 25.760 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.305 26.087 23.097 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.964 27.501 24.426 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.352 27.691 22.728 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.135 29.044 23.144 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.650 28.121 24.542 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.657 29.117 25.800 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.413 30.177 24.426 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.349 31.397 24.831 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.180 30.047 25.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.598 31.725 27.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.758 30.286 27.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.953 31.595 26.806 1.00 0.00 H new ATOM 414 N THR A 30 -5.646 24.394 23.871 1.00 0.00 N ATOM 415 CA THR A 30 -4.673 23.426 23.381 1.00 0.00 C ATOM 416 C THR A 30 -5.313 22.058 23.178 1.00 0.00 C ATOM 417 O THR A 30 -5.095 21.407 22.157 1.00 0.00 O ATOM 418 CB THR A 30 -3.484 23.286 24.350 1.00 0.00 C ATOM 419 OG1 THR A 30 -3.203 24.547 24.967 1.00 0.00 O ATOM 420 CG2 THR A 30 -2.246 22.787 23.619 1.00 0.00 C ATOM 0 H THR A 30 -5.680 24.480 24.887 1.00 0.00 H new ATOM 0 HA THR A 30 -4.310 23.799 22.423 1.00 0.00 H new ATOM 0 HB THR A 30 -3.753 22.559 25.116 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.447 24.449 25.583 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.419 22.696 24.324 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.453 21.813 23.175 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.977 23.494 22.834 1.00 0.00 H new ATOM 428 N GLN A 31 -6.103 21.628 24.156 1.00 0.00 N ATOM 429 CA GLN A 31 -6.775 20.336 24.084 1.00 0.00 C ATOM 430 C GLN A 31 -7.541 20.194 22.773 1.00 0.00 C ATOM 431 O GLN A 31 -7.450 19.170 22.096 1.00 0.00 O ATOM 432 CB GLN A 31 -7.729 20.166 25.267 1.00 0.00 C ATOM 433 CG GLN A 31 -7.039 20.242 26.620 1.00 0.00 C ATOM 434 CD GLN A 31 -8.010 20.115 27.778 1.00 0.00 C ATOM 435 OE1 GLN A 31 -7.954 20.885 28.737 1.00 0.00 O ATOM 436 NE2 GLN A 31 -8.907 19.139 27.694 1.00 0.00 N ATOM 0 H GLN A 31 -6.294 22.155 25.008 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.014 19.556 24.126 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.498 20.937 25.217 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.235 19.205 25.180 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.293 19.450 26.688 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.507 21.190 26.699 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.917 18.524 26.880 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.586 19.004 28.443 1.00 0.00 H new ATOM 445 N VAL A 32 -8.299 21.228 22.421 1.00 0.00 N ATOM 446 CA VAL A 32 -9.081 21.219 21.191 1.00 0.00 C ATOM 447 C VAL A 32 -8.203 20.913 19.983 1.00 0.00 C ATOM 448 O VAL A 32 -8.388 19.899 19.308 1.00 0.00 O ATOM 449 CB VAL A 32 -9.790 22.568 20.967 1.00 0.00 C ATOM 450 CG1 VAL A 32 -10.576 22.549 19.664 1.00 0.00 C ATOM 451 CG2 VAL A 32 -10.699 22.893 22.142 1.00 0.00 C ATOM 0 H VAL A 32 -8.388 22.083 22.971 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.831 20.436 21.299 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.033 23.349 20.895 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.070 23.510 19.523 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.897 22.365 18.832 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.325 21.758 19.703 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.192 23.849 21.967 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.451 22.111 22.247 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.106 22.952 23.055 1.00 0.00 H new ATOM 461 N LEU A 33 -7.245 21.794 19.716 1.00 0.00 N ATOM 462 CA LEU A 33 -6.336 21.618 18.588 1.00 0.00 C ATOM 463 C LEU A 33 -5.585 20.295 18.696 1.00 0.00 C ATOM 464 O LEU A 33 -5.157 19.729 17.690 1.00 0.00 O ATOM 465 CB LEU A 33 -5.342 22.779 18.524 1.00 0.00 C ATOM 466 CG LEU A 33 -5.942 24.164 18.279 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.020 25.247 18.818 1.00 0.00 C ATOM 468 CD2 LEU A 33 -6.207 24.376 16.796 1.00 0.00 C ATOM 0 H LEU A 33 -7.077 22.637 20.265 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.928 21.604 17.673 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.786 22.807 19.461 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.622 22.572 17.732 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.892 24.227 18.809 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.463 26.226 18.635 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.881 25.106 19.890 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.054 25.186 18.316 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.634 25.367 16.641 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.271 24.294 16.244 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.906 23.620 16.440 1.00 0.00 H new ATOM 480 N ASP A 34 -5.429 19.807 19.922 1.00 0.00 N ATOM 481 CA ASP A 34 -4.732 18.549 20.162 1.00 0.00 C ATOM 482 C ASP A 34 -5.628 17.360 19.829 1.00 0.00 C ATOM 483 O ASP A 34 -5.142 16.278 19.498 1.00 0.00 O ATOM 484 CB ASP A 34 -4.273 18.465 21.618 1.00 0.00 C ATOM 485 CG ASP A 34 -2.897 19.067 21.826 1.00 0.00 C ATOM 486 OD1 ASP A 34 -2.589 20.084 21.171 1.00 0.00 O ATOM 487 OD2 ASP A 34 -2.127 18.520 22.644 1.00 0.00 O ATOM 0 H ASP A 34 -5.776 20.264 20.765 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.858 18.516 19.512 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.992 18.982 22.253 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.261 17.422 21.933 1.00 0.00 H new ATOM 492 N TRP A 35 -6.936 17.568 19.920 1.00 0.00 N ATOM 493 CA TRP A 35 -7.900 16.512 19.629 1.00 0.00 C ATOM 494 C TRP A 35 -8.096 16.353 18.125 1.00 0.00 C ATOM 495 O TRP A 35 -8.333 15.249 17.635 1.00 0.00 O ATOM 496 CB TRP A 35 -9.240 16.817 20.301 1.00 0.00 C ATOM 497 CG TRP A 35 -10.336 15.880 19.893 1.00 0.00 C ATOM 498 CD1 TRP A 35 -10.517 14.596 20.321 1.00 0.00 C ATOM 499 CD2 TRP A 35 -11.400 16.153 18.975 1.00 0.00 C ATOM 500 NE1 TRP A 35 -11.631 14.054 19.724 1.00 0.00 N ATOM 501 CE2 TRP A 35 -12.190 14.990 18.895 1.00 0.00 C ATOM 502 CE3 TRP A 35 -11.763 17.268 18.215 1.00 0.00 C ATOM 503 CZ2 TRP A 35 -13.319 14.912 18.084 1.00 0.00 C ATOM 504 CZ3 TRP A 35 -12.884 17.189 17.410 1.00 0.00 C ATOM 505 CH2 TRP A 35 -13.651 16.018 17.350 1.00 0.00 C ATOM 0 H TRP A 35 -7.354 18.457 20.193 1.00 0.00 H new ATOM 0 HA TRP A 35 -7.507 15.576 20.026 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -9.115 16.769 21.383 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -9.536 17.838 20.059 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.879 14.082 21.025 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -11.984 13.109 19.874 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -11.178 18.175 18.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -13.912 14.010 18.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -13.173 18.044 16.817 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -14.522 15.988 16.712 1.00 0.00 H new ATOM 516 N ILE A 36 -7.996 17.462 17.399 1.00 0.00 N ATOM 517 CA ILE A 36 -8.161 17.443 15.951 1.00 0.00 C ATOM 518 C ILE A 36 -7.120 16.545 15.291 1.00 0.00 C ATOM 519 O ILE A 36 -7.458 15.659 14.507 1.00 0.00 O ATOM 520 CB ILE A 36 -8.054 18.859 15.355 1.00 0.00 C ATOM 521 CG1 ILE A 36 -9.091 19.785 15.993 1.00 0.00 C ATOM 522 CG2 ILE A 36 -8.235 18.812 13.845 1.00 0.00 C ATOM 523 CD1 ILE A 36 -8.959 21.229 15.562 1.00 0.00 C ATOM 0 H ILE A 36 -7.802 18.384 17.790 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.157 17.048 15.751 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.061 19.254 15.571 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.089 19.428 15.739 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.998 19.728 17.078 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.157 19.820 13.438 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.462 18.182 13.405 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.216 18.400 13.609 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.726 21.827 16.054 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.974 21.603 15.840 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.082 21.299 14.481 1.00 0.00 H new ATOM 535 N SER A 37 -5.853 16.780 15.614 1.00 0.00 N ATOM 536 CA SER A 37 -4.761 15.994 15.051 1.00 0.00 C ATOM 537 C SER A 37 -5.023 14.501 15.222 1.00 0.00 C ATOM 538 O SER A 37 -4.683 13.696 14.354 1.00 0.00 O ATOM 539 CB SER A 37 -3.437 16.371 15.717 1.00 0.00 C ATOM 540 OG SER A 37 -2.408 15.465 15.355 1.00 0.00 O ATOM 0 H SER A 37 -5.557 17.509 16.263 1.00 0.00 H new ATOM 0 HA SER A 37 -4.699 16.215 13.985 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.155 17.383 15.425 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.559 16.374 16.800 1.00 0.00 H new ATOM 0 HG SER A 37 -1.571 15.728 15.792 1.00 0.00 H new ATOM 546 N TYR A 38 -5.630 14.138 16.347 1.00 0.00 N ATOM 547 CA TYR A 38 -5.935 12.742 16.634 1.00 0.00 C ATOM 548 C TYR A 38 -6.895 12.169 15.596 1.00 0.00 C ATOM 549 O TYR A 38 -6.686 11.071 15.081 1.00 0.00 O ATOM 550 CB TYR A 38 -6.541 12.608 18.033 1.00 0.00 C ATOM 551 CG TYR A 38 -7.661 11.595 18.113 1.00 0.00 C ATOM 552 CD1 TYR A 38 -7.407 10.237 17.966 1.00 0.00 C ATOM 553 CD2 TYR A 38 -8.972 11.996 18.336 1.00 0.00 C ATOM 554 CE1 TYR A 38 -8.427 9.308 18.039 1.00 0.00 C ATOM 555 CE2 TYR A 38 -9.998 11.075 18.411 1.00 0.00 C ATOM 556 CZ TYR A 38 -9.721 9.732 18.262 1.00 0.00 C ATOM 557 OH TYR A 38 -10.740 8.810 18.334 1.00 0.00 O ATOM 0 H TYR A 38 -5.920 14.791 17.074 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.004 12.177 16.592 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.756 12.325 18.734 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -6.918 13.580 18.351 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.395 9.902 17.792 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.193 13.047 18.453 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.213 8.256 17.922 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -11.012 11.404 18.585 1.00 0.00 H new ATOM 0 HH TYR A 38 -11.599 9.261 18.197 1.00 0.00 H new ATOM 567 N GLN A 39 -7.948 12.923 15.293 1.00 0.00 N ATOM 568 CA GLN A 39 -8.940 12.491 14.316 1.00 0.00 C ATOM 569 C GLN A 39 -8.417 12.667 12.895 1.00 0.00 C ATOM 570 O GLN A 39 -8.880 12.006 11.965 1.00 0.00 O ATOM 571 CB GLN A 39 -10.239 13.279 14.495 1.00 0.00 C ATOM 572 CG GLN A 39 -11.260 12.577 15.377 1.00 0.00 C ATOM 573 CD GLN A 39 -12.401 11.974 14.582 1.00 0.00 C ATOM 574 OE1 GLN A 39 -13.104 12.675 13.854 1.00 0.00 O ATOM 575 NE2 GLN A 39 -12.591 10.667 14.717 1.00 0.00 N ATOM 0 H GLN A 39 -8.135 13.835 15.710 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.139 11.432 14.482 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -10.007 14.253 14.926 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.681 13.461 13.516 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.764 11.791 15.946 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.661 13.288 16.099 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.984 10.124 15.332 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.344 10.206 14.206 1.00 0.00 H new ATOM 584 N VAL A 40 -7.449 13.563 12.732 1.00 0.00 N ATOM 585 CA VAL A 40 -6.861 13.826 11.424 1.00 0.00 C ATOM 586 C VAL A 40 -5.859 12.742 11.044 1.00 0.00 C ATOM 587 O VAL A 40 -5.631 12.480 9.863 1.00 0.00 O ATOM 588 CB VAL A 40 -6.158 15.196 11.389 1.00 0.00 C ATOM 589 CG1 VAL A 40 -5.495 15.422 10.039 1.00 0.00 C ATOM 590 CG2 VAL A 40 -7.145 16.310 11.701 1.00 0.00 C ATOM 0 H VAL A 40 -7.055 14.120 13.490 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.679 13.828 10.704 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.382 15.206 12.154 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.004 16.395 10.033 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.756 14.641 9.861 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.250 15.392 9.253 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.631 17.271 11.672 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.946 16.304 10.961 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.567 16.155 12.694 1.00 0.00 H new ATOM 600 N GLU A 41 -5.263 12.114 12.053 1.00 0.00 N ATOM 601 CA GLU A 41 -4.284 11.058 11.824 1.00 0.00 C ATOM 602 C GLU A 41 -4.960 9.691 11.776 1.00 0.00 C ATOM 603 O GLU A 41 -4.437 8.748 11.182 1.00 0.00 O ATOM 604 CB GLU A 41 -3.218 11.074 12.921 1.00 0.00 C ATOM 605 CG GLU A 41 -2.126 10.036 12.723 1.00 0.00 C ATOM 606 CD GLU A 41 -1.553 10.051 11.319 1.00 0.00 C ATOM 607 OE1 GLU A 41 -1.134 11.135 10.863 1.00 0.00 O ATOM 608 OE2 GLU A 41 -1.524 8.980 10.678 1.00 0.00 O ATOM 0 H GLU A 41 -5.441 12.318 13.036 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.807 11.242 10.861 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.764 12.064 12.960 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.698 10.905 13.885 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.325 10.216 13.440 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.528 9.046 12.936 1.00 0.00 H new ATOM 615 N LYS A 42 -6.126 9.592 12.405 1.00 0.00 N ATOM 616 CA LYS A 42 -6.875 8.341 12.435 1.00 0.00 C ATOM 617 C LYS A 42 -7.756 8.205 11.197 1.00 0.00 C ATOM 618 O LYS A 42 -8.009 7.099 10.722 1.00 0.00 O ATOM 619 CB LYS A 42 -7.737 8.270 13.698 1.00 0.00 C ATOM 620 CG LYS A 42 -7.768 6.891 14.335 1.00 0.00 C ATOM 621 CD LYS A 42 -7.420 6.952 15.813 1.00 0.00 C ATOM 622 CE LYS A 42 -6.596 5.748 16.242 1.00 0.00 C ATOM 623 NZ LYS A 42 -7.140 5.114 17.475 1.00 0.00 N ATOM 0 H LYS A 42 -6.573 10.363 12.901 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.160 7.518 12.443 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.361 8.989 14.426 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.755 8.570 13.450 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.759 6.454 14.211 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.064 6.236 13.821 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.864 7.867 16.020 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.336 6.996 16.402 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.577 5.015 15.435 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.565 6.057 16.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.551 4.297 17.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.135 5.805 18.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.115 4.796 17.301 1.00 0.00 H new ATOM 637 N ASN A 43 -8.220 9.338 10.679 1.00 0.00 N ATOM 638 CA ASN A 43 -9.072 9.345 9.495 1.00 0.00 C ATOM 639 C ASN A 43 -8.233 9.410 8.222 1.00 0.00 C ATOM 640 O ASN A 43 -8.764 9.578 7.124 1.00 0.00 O ATOM 641 CB ASN A 43 -10.038 10.530 9.544 1.00 0.00 C ATOM 642 CG ASN A 43 -11.162 10.319 10.539 1.00 0.00 C ATOM 643 OD1 ASN A 43 -10.803 10.048 11.789 1.00 0.00 O flip ATOM 644 ND2 ASN A 43 -12.340 10.398 10.189 1.00 0.00 N flip ATOM 0 H ASN A 43 -8.020 10.263 11.060 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.645 8.418 9.484 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.488 11.433 9.808 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.460 10.692 8.552 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.570 10.608 9.218 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.085 10.253 10.870 1.00 0.00 H new ATOM 651 N LYS A 44 -6.921 9.274 8.377 1.00 0.00 N ATOM 652 CA LYS A 44 -6.007 9.315 7.241 1.00 0.00 C ATOM 653 C LYS A 44 -6.250 10.560 6.393 1.00 0.00 C ATOM 654 O LYS A 44 -6.032 10.549 5.181 1.00 0.00 O ATOM 655 CB LYS A 44 -6.173 8.060 6.382 1.00 0.00 C ATOM 656 CG LYS A 44 -5.967 6.766 7.150 1.00 0.00 C ATOM 657 CD LYS A 44 -4.891 5.903 6.513 1.00 0.00 C ATOM 658 CE LYS A 44 -5.491 4.852 5.592 1.00 0.00 C ATOM 659 NZ LYS A 44 -4.446 3.973 4.998 1.00 0.00 N ATOM 0 H LYS A 44 -6.466 9.134 9.279 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.988 9.352 7.627 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.172 8.058 5.945 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.463 8.099 5.555 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.690 6.993 8.179 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.904 6.211 7.187 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.204 6.534 5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.307 5.414 7.292 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.203 4.244 6.150 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.048 5.344 4.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.895 3.270 4.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.781 4.550 4.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.931 3.484 5.758 1.00 0.00 H new ATOM 673 N TYR A 45 -6.699 11.631 7.037 1.00 0.00 N ATOM 674 CA TYR A 45 -6.972 12.883 6.341 1.00 0.00 C ATOM 675 C TYR A 45 -5.675 13.608 5.997 1.00 0.00 C ATOM 676 O TYR A 45 -4.782 13.740 6.835 1.00 0.00 O ATOM 677 CB TYR A 45 -7.861 13.784 7.199 1.00 0.00 C ATOM 678 CG TYR A 45 -8.575 14.858 6.410 1.00 0.00 C ATOM 679 CD1 TYR A 45 -9.450 14.527 5.382 1.00 0.00 C ATOM 680 CD2 TYR A 45 -8.375 16.204 6.691 1.00 0.00 C ATOM 681 CE1 TYR A 45 -10.104 15.505 4.658 1.00 0.00 C ATOM 682 CE2 TYR A 45 -9.026 17.188 5.973 1.00 0.00 C ATOM 683 CZ TYR A 45 -9.889 16.834 4.957 1.00 0.00 C ATOM 684 OH TYR A 45 -10.538 17.812 4.239 1.00 0.00 O ATOM 0 H TYR A 45 -6.882 11.658 8.040 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.493 12.648 5.413 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.601 13.169 7.711 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.250 14.256 7.969 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.622 13.487 5.145 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.699 16.486 7.485 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.780 15.230 3.862 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.860 18.229 6.206 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.702 17.494 3.327 1.00 0.00 H new ATOM 694 N ASP A 46 -5.578 14.078 4.758 1.00 0.00 N ATOM 695 CA ASP A 46 -4.391 14.793 4.302 1.00 0.00 C ATOM 696 C ASP A 46 -4.090 15.981 5.209 1.00 0.00 C ATOM 697 O ASP A 46 -2.944 16.416 5.320 1.00 0.00 O ATOM 698 CB ASP A 46 -4.580 15.270 2.861 1.00 0.00 C ATOM 699 CG ASP A 46 -3.399 14.922 1.976 1.00 0.00 C ATOM 700 OD1 ASP A 46 -3.327 13.765 1.511 1.00 0.00 O ATOM 701 OD2 ASP A 46 -2.548 15.806 1.749 1.00 0.00 O ATOM 0 H ASP A 46 -6.307 13.977 4.052 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.545 14.106 4.342 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.484 14.822 2.449 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -4.729 16.350 2.855 1.00 0.00 H new ATOM 706 N ALA A 47 -5.127 16.503 5.856 1.00 0.00 N ATOM 707 CA ALA A 47 -4.973 17.641 6.755 1.00 0.00 C ATOM 708 C ALA A 47 -4.506 18.879 5.998 1.00 0.00 C ATOM 709 O ALA A 47 -3.898 19.780 6.576 1.00 0.00 O ATOM 710 CB ALA A 47 -3.996 17.303 7.871 1.00 0.00 C ATOM 0 H ALA A 47 -6.083 16.156 5.775 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.947 17.861 7.193 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.891 18.161 8.535 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.371 16.451 8.437 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.025 17.055 7.442 1.00 0.00 H new ATOM 716 N SER A 48 -4.793 18.917 4.700 1.00 0.00 N ATOM 717 CA SER A 48 -4.399 20.044 3.863 1.00 0.00 C ATOM 718 C SER A 48 -5.610 20.890 3.484 1.00 0.00 C ATOM 719 O SER A 48 -5.614 21.563 2.454 1.00 0.00 O ATOM 720 CB SER A 48 -3.696 19.545 2.599 1.00 0.00 C ATOM 721 OG SER A 48 -3.092 20.616 1.895 1.00 0.00 O ATOM 0 H SER A 48 -5.297 18.180 4.206 1.00 0.00 H new ATOM 0 HA SER A 48 -3.709 20.665 4.434 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.938 18.809 2.867 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.416 19.041 1.954 1.00 0.00 H new ATOM 0 HG SER A 48 -3.724 21.362 1.829 1.00 0.00 H new ATOM 727 N ALA A 49 -6.638 20.850 4.326 1.00 0.00 N ATOM 728 CA ALA A 49 -7.855 21.614 4.082 1.00 0.00 C ATOM 729 C ALA A 49 -8.311 22.338 5.344 1.00 0.00 C ATOM 730 O ALA A 49 -8.748 23.488 5.288 1.00 0.00 O ATOM 731 CB ALA A 49 -8.958 20.700 3.568 1.00 0.00 C ATOM 0 H ALA A 49 -6.652 20.297 5.183 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.637 22.365 3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.861 21.284 3.390 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.639 20.233 2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.165 19.928 4.309 1.00 0.00 H new ATOM 737 N ILE A 50 -8.208 21.658 6.481 1.00 0.00 N ATOM 738 CA ILE A 50 -8.609 22.237 7.757 1.00 0.00 C ATOM 739 C ILE A 50 -7.959 23.600 7.971 1.00 0.00 C ATOM 740 O ILE A 50 -6.774 23.784 7.690 1.00 0.00 O ATOM 741 CB ILE A 50 -8.242 21.315 8.934 1.00 0.00 C ATOM 742 CG1 ILE A 50 -8.912 19.949 8.769 1.00 0.00 C ATOM 743 CG2 ILE A 50 -8.649 21.954 10.254 1.00 0.00 C ATOM 744 CD1 ILE A 50 -8.490 18.939 9.813 1.00 0.00 C ATOM 0 H ILE A 50 -7.850 20.705 6.544 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.692 22.355 7.723 1.00 0.00 H new ATOM 0 HB ILE A 50 -7.162 21.171 8.940 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.994 20.076 8.814 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.678 19.556 7.780 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.383 21.290 11.077 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.130 22.905 10.373 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.726 22.125 10.259 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.004 17.995 9.634 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.413 18.783 9.754 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.749 19.311 10.804 1.00 0.00 H new ATOM 756 N ASP A 51 -8.741 24.550 8.470 1.00 0.00 N ATOM 757 CA ASP A 51 -8.241 25.896 8.725 1.00 0.00 C ATOM 758 C ASP A 51 -8.099 26.148 10.223 1.00 0.00 C ATOM 759 O ASP A 51 -8.926 26.829 10.830 1.00 0.00 O ATOM 760 CB ASP A 51 -9.175 26.937 8.107 1.00 0.00 C ATOM 761 CG ASP A 51 -8.948 27.106 6.617 1.00 0.00 C ATOM 762 OD1 ASP A 51 -8.317 26.217 6.009 1.00 0.00 O ATOM 763 OD2 ASP A 51 -9.400 28.129 6.061 1.00 0.00 O ATOM 0 H ASP A 51 -9.724 24.413 8.706 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.257 25.984 8.264 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.210 26.643 8.283 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.027 27.895 8.605 1.00 0.00 H new ATOM 768 N PHE A 52 -7.045 25.595 10.814 1.00 0.00 N ATOM 769 CA PHE A 52 -6.796 25.758 12.242 1.00 0.00 C ATOM 770 C PHE A 52 -6.720 27.235 12.615 1.00 0.00 C ATOM 771 O PHE A 52 -6.976 27.611 13.759 1.00 0.00 O ATOM 772 CB PHE A 52 -5.497 25.053 12.638 1.00 0.00 C ATOM 773 CG PHE A 52 -5.537 23.565 12.436 1.00 0.00 C ATOM 774 CD1 PHE A 52 -5.201 23.010 11.211 1.00 0.00 C ATOM 775 CD2 PHE A 52 -5.909 22.721 13.470 1.00 0.00 C ATOM 776 CE1 PHE A 52 -5.238 21.641 11.022 1.00 0.00 C ATOM 777 CE2 PHE A 52 -5.947 21.352 13.287 1.00 0.00 C ATOM 778 CZ PHE A 52 -5.610 20.811 12.062 1.00 0.00 C ATOM 0 H PHE A 52 -6.350 25.030 10.326 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.627 25.306 12.785 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.675 25.469 12.055 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.283 25.264 13.686 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.907 23.654 10.395 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.172 23.138 14.431 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.976 21.221 10.062 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.240 20.706 14.101 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.637 19.741 11.917 1.00 0.00 H new ATOM 788 N SER A 53 -6.367 28.068 11.642 1.00 0.00 N ATOM 789 CA SER A 53 -6.253 29.504 11.868 1.00 0.00 C ATOM 790 C SER A 53 -7.554 30.071 12.429 1.00 0.00 C ATOM 791 O SER A 53 -7.553 31.087 13.124 1.00 0.00 O ATOM 792 CB SER A 53 -5.891 30.220 10.566 1.00 0.00 C ATOM 793 OG SER A 53 -5.451 31.544 10.817 1.00 0.00 O ATOM 0 H SER A 53 -6.155 27.773 10.689 1.00 0.00 H new ATOM 0 HA SER A 53 -5.460 29.670 12.598 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.109 29.666 10.048 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.758 30.241 9.906 1.00 0.00 H new ATOM 0 HG SER A 53 -5.224 31.980 9.969 1.00 0.00 H new ATOM 799 N ARG A 54 -8.662 29.406 12.120 1.00 0.00 N ATOM 800 CA ARG A 54 -9.971 29.843 12.591 1.00 0.00 C ATOM 801 C ARG A 54 -10.507 28.898 13.662 1.00 0.00 C ATOM 802 O ARG A 54 -11.717 28.804 13.873 1.00 0.00 O ATOM 803 CB ARG A 54 -10.957 29.919 11.424 1.00 0.00 C ATOM 804 CG ARG A 54 -10.386 30.594 10.188 1.00 0.00 C ATOM 805 CD ARG A 54 -11.438 31.428 9.472 1.00 0.00 C ATOM 806 NE ARG A 54 -10.903 32.706 9.011 1.00 0.00 N ATOM 807 CZ ARG A 54 -11.576 33.548 8.234 1.00 0.00 C ATOM 808 NH1 ARG A 54 -12.804 33.248 7.834 1.00 0.00 N ATOM 809 NH2 ARG A 54 -11.021 34.692 7.856 1.00 0.00 N ATOM 0 H ARG A 54 -8.680 28.563 11.546 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.859 30.835 13.029 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.276 28.910 11.162 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.846 30.461 11.745 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.548 31.230 10.474 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.994 29.838 9.507 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.826 30.869 8.620 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.277 31.608 10.144 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.961 32.967 9.301 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.234 32.369 8.123 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.319 33.896 7.238 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.077 34.926 8.162 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.539 35.337 7.260 1.00 0.00 H new ATOM 823 N CYS A 55 -9.599 28.199 14.335 1.00 0.00 N ATOM 824 CA CYS A 55 -9.980 27.260 15.384 1.00 0.00 C ATOM 825 C CYS A 55 -9.818 27.889 16.763 1.00 0.00 C ATOM 826 O CYS A 55 -9.071 27.386 17.602 1.00 0.00 O ATOM 827 CB CYS A 55 -9.137 25.987 15.288 1.00 0.00 C ATOM 828 SG CYS A 55 -9.723 24.634 16.335 1.00 0.00 S ATOM 0 H CYS A 55 -8.594 28.265 14.173 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.030 27.004 15.244 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -9.123 25.650 14.251 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.108 26.224 15.560 1.00 0.00 H new ATOM 0 HG CYS A 55 -10.902 24.924 16.799 1.00 0.00 H new ATOM 834 N ASP A 56 -10.520 28.994 16.990 1.00 0.00 N ATOM 835 CA ASP A 56 -10.454 29.694 18.267 1.00 0.00 C ATOM 836 C ASP A 56 -11.537 29.194 19.218 1.00 0.00 C ATOM 837 O ASP A 56 -12.480 29.919 19.535 1.00 0.00 O ATOM 838 CB ASP A 56 -10.599 31.202 18.055 1.00 0.00 C ATOM 839 CG ASP A 56 -9.313 31.845 17.576 1.00 0.00 C ATOM 840 OD1 ASP A 56 -8.974 31.680 16.385 1.00 0.00 O ATOM 841 OD2 ASP A 56 -8.646 32.516 18.391 1.00 0.00 O ATOM 0 H ASP A 56 -11.142 29.424 16.305 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.481 29.490 18.715 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.389 31.389 17.327 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.909 31.669 18.990 1.00 0.00 H new ATOM 846 N MET A 57 -11.397 27.952 19.667 1.00 0.00 N ATOM 847 CA MET A 57 -12.364 27.356 20.582 1.00 0.00 C ATOM 848 C MET A 57 -11.663 26.735 21.785 1.00 0.00 C ATOM 849 O MET A 57 -10.953 25.737 21.656 1.00 0.00 O ATOM 850 CB MET A 57 -13.196 26.295 19.858 1.00 0.00 C ATOM 851 CG MET A 57 -13.823 26.793 18.565 1.00 0.00 C ATOM 852 SD MET A 57 -12.957 26.199 17.100 1.00 0.00 S ATOM 853 CE MET A 57 -14.294 25.397 16.218 1.00 0.00 C ATOM 0 H MET A 57 -10.623 27.338 19.412 1.00 0.00 H new ATOM 0 HA MET A 57 -13.025 28.146 20.937 1.00 0.00 H new ATOM 0 HB2 MET A 57 -12.562 25.436 19.638 1.00 0.00 H new ATOM 0 HB3 MET A 57 -13.985 25.947 20.524 1.00 0.00 H new ATOM 0 HG2 MET A 57 -14.864 26.471 18.523 1.00 0.00 H new ATOM 0 HG3 MET A 57 -13.826 27.883 18.563 1.00 0.00 H new ATOM 0 HE1 MET A 57 -13.992 25.215 15.187 1.00 0.00 H new ATOM 0 HE2 MET A 57 -14.530 24.448 16.700 1.00 0.00 H new ATOM 0 HE3 MET A 57 -15.175 26.039 16.230 1.00 0.00 H new ATOM 863 N ASP A 58 -11.866 27.330 22.955 1.00 0.00 N ATOM 864 CA ASP A 58 -11.253 26.835 24.182 1.00 0.00 C ATOM 865 C ASP A 58 -11.790 25.451 24.537 1.00 0.00 C ATOM 866 O ASP A 58 -11.023 24.527 24.804 1.00 0.00 O ATOM 867 CB ASP A 58 -11.512 27.806 25.335 1.00 0.00 C ATOM 868 CG ASP A 58 -12.965 28.228 25.422 1.00 0.00 C ATOM 869 OD1 ASP A 58 -13.387 29.077 24.608 1.00 0.00 O ATOM 870 OD2 ASP A 58 -13.682 27.709 26.302 1.00 0.00 O ATOM 0 H ASP A 58 -12.451 28.156 23.080 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.178 26.758 24.017 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.216 27.338 26.274 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.887 28.690 25.209 1.00 0.00 H new ATOM 875 N GLY A 59 -13.113 25.317 24.538 1.00 0.00 N ATOM 876 CA GLY A 59 -13.729 24.044 24.862 1.00 0.00 C ATOM 877 C GLY A 59 -15.242 24.098 24.793 1.00 0.00 C ATOM 878 O GLY A 59 -15.870 23.271 24.132 1.00 0.00 O ATOM 0 H GLY A 59 -13.769 26.067 24.320 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.364 23.282 24.174 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.425 23.741 25.864 1.00 0.00 H new ATOM 882 N ALA A 60 -15.830 25.073 25.480 1.00 0.00 N ATOM 883 CA ALA A 60 -17.279 25.231 25.493 1.00 0.00 C ATOM 884 C ALA A 60 -17.793 25.697 24.135 1.00 0.00 C ATOM 885 O ALA A 60 -18.949 25.461 23.782 1.00 0.00 O ATOM 886 CB ALA A 60 -17.692 26.212 26.580 1.00 0.00 C ATOM 0 H ALA A 60 -15.325 25.765 26.034 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.724 24.259 25.706 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.777 26.321 26.579 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.366 25.838 27.551 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.230 27.181 26.390 1.00 0.00 H new ATOM 892 N THR A 61 -16.927 26.360 23.375 1.00 0.00 N ATOM 893 CA THR A 61 -17.294 26.860 22.056 1.00 0.00 C ATOM 894 C THR A 61 -17.334 25.732 21.032 1.00 0.00 C ATOM 895 O THR A 61 -18.132 25.760 20.093 1.00 0.00 O ATOM 896 CB THR A 61 -16.310 27.942 21.572 1.00 0.00 C ATOM 897 OG1 THR A 61 -16.230 28.998 22.535 1.00 0.00 O ATOM 898 CG2 THR A 61 -16.745 28.506 20.228 1.00 0.00 C ATOM 0 H THR A 61 -15.966 26.563 23.651 1.00 0.00 H new ATOM 0 HA THR A 61 -18.288 27.298 22.149 1.00 0.00 H new ATOM 0 HB THR A 61 -15.328 27.483 21.455 1.00 0.00 H new ATOM 0 HG1 THR A 61 -15.601 29.681 22.220 1.00 0.00 H new ATOM 0 HG21 THR A 61 -16.035 29.268 19.906 1.00 0.00 H new ATOM 0 HG22 THR A 61 -16.776 27.704 19.490 1.00 0.00 H new ATOM 0 HG23 THR A 61 -17.736 28.950 20.323 1.00 0.00 H new ATOM 906 N LEU A 62 -16.472 24.739 21.218 1.00 0.00 N ATOM 907 CA LEU A 62 -16.410 23.599 20.310 1.00 0.00 C ATOM 908 C LEU A 62 -17.654 22.727 20.445 1.00 0.00 C ATOM 909 O LEU A 62 -18.269 22.347 19.447 1.00 0.00 O ATOM 910 CB LEU A 62 -15.157 22.767 20.589 1.00 0.00 C ATOM 911 CG LEU A 62 -14.946 21.549 19.689 1.00 0.00 C ATOM 912 CD1 LEU A 62 -14.415 21.976 18.329 1.00 0.00 C ATOM 913 CD2 LEU A 62 -13.997 20.558 20.347 1.00 0.00 C ATOM 0 H LEU A 62 -15.806 24.700 21.990 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.365 23.981 19.290 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -14.286 23.416 20.498 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -15.194 22.427 21.624 1.00 0.00 H new ATOM 0 HG LEU A 62 -15.908 21.058 19.543 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -14.271 21.096 17.702 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.130 22.647 17.854 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.463 22.491 18.456 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -13.858 19.697 19.692 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.035 21.038 20.524 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.417 20.227 21.297 1.00 0.00 H new ATOM 925 N CYS A 63 -18.020 22.415 21.683 1.00 0.00 N ATOM 926 CA CYS A 63 -19.193 21.589 21.948 1.00 0.00 C ATOM 927 C CYS A 63 -20.475 22.334 21.591 1.00 0.00 C ATOM 928 O CYS A 63 -21.495 21.720 21.283 1.00 0.00 O ATOM 929 CB CYS A 63 -19.224 21.170 23.419 1.00 0.00 C ATOM 930 SG CYS A 63 -19.575 22.524 24.565 1.00 0.00 S ATOM 0 H CYS A 63 -17.522 22.721 22.519 1.00 0.00 H new ATOM 0 HA CYS A 63 -19.128 20.697 21.325 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -19.978 20.394 23.549 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -18.263 20.727 23.680 1.00 0.00 H new ATOM 0 HG CYS A 63 -19.289 23.658 23.998 1.00 0.00 H new ATOM 936 N ASN A 64 -20.414 23.661 21.637 1.00 0.00 N ATOM 937 CA ASN A 64 -21.572 24.490 21.320 1.00 0.00 C ATOM 938 C ASN A 64 -21.651 24.765 19.822 1.00 0.00 C ATOM 939 O ASN A 64 -22.730 25.007 19.281 1.00 0.00 O ATOM 940 CB ASN A 64 -21.504 25.811 22.089 1.00 0.00 C ATOM 941 CG ASN A 64 -22.046 25.687 23.500 1.00 0.00 C ATOM 942 OD1 ASN A 64 -22.864 24.814 23.788 1.00 0.00 O ATOM 943 ND2 ASN A 64 -21.589 26.563 24.388 1.00 0.00 N ATOM 0 H ASN A 64 -19.576 24.185 21.890 1.00 0.00 H new ATOM 0 HA ASN A 64 -22.469 23.948 21.619 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -20.470 26.152 22.129 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -22.070 26.571 21.551 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -21.916 26.528 25.353 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -20.911 27.270 24.104 1.00 0.00 H new ATOM 950 N CYS A 65 -20.501 24.725 19.157 1.00 0.00 N ATOM 951 CA CYS A 65 -20.439 24.969 17.721 1.00 0.00 C ATOM 952 C CYS A 65 -21.435 24.086 16.976 1.00 0.00 C ATOM 953 O CYS A 65 -21.783 22.999 17.437 1.00 0.00 O ATOM 954 CB CYS A 65 -19.024 24.715 17.199 1.00 0.00 C ATOM 955 SG CYS A 65 -18.021 26.210 17.028 1.00 0.00 S ATOM 0 H CYS A 65 -19.599 24.526 19.590 1.00 0.00 H new ATOM 0 HA CYS A 65 -20.702 26.012 17.544 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -18.517 24.026 17.874 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -19.089 24.221 16.229 1.00 0.00 H new ATOM 0 HG CYS A 65 -18.662 27.083 16.309 1.00 0.00 H new ATOM 961 N ALA A 66 -21.891 24.561 15.821 1.00 0.00 N ATOM 962 CA ALA A 66 -22.846 23.814 15.012 1.00 0.00 C ATOM 963 C ALA A 66 -22.135 22.820 14.101 1.00 0.00 C ATOM 964 O ALA A 66 -20.958 22.989 13.779 1.00 0.00 O ATOM 965 CB ALA A 66 -23.701 24.768 14.191 1.00 0.00 C ATOM 0 H ALA A 66 -21.614 25.459 15.425 1.00 0.00 H new ATOM 0 HA ALA A 66 -23.493 23.251 15.685 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -24.410 24.197 13.591 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -24.246 25.435 14.859 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -23.061 25.356 13.533 1.00 0.00 H new ATOM 971 N LEU A 67 -22.855 21.782 13.689 1.00 0.00 N ATOM 972 CA LEU A 67 -22.292 20.759 12.814 1.00 0.00 C ATOM 973 C LEU A 67 -21.644 21.389 11.586 1.00 0.00 C ATOM 974 O LEU A 67 -20.443 21.241 11.362 1.00 0.00 O ATOM 975 CB LEU A 67 -23.381 19.775 12.382 1.00 0.00 C ATOM 976 CG LEU A 67 -23.047 18.891 11.180 1.00 0.00 C ATOM 977 CD1 LEU A 67 -21.738 18.152 11.407 1.00 0.00 C ATOM 978 CD2 LEU A 67 -24.177 17.908 10.911 1.00 0.00 C ATOM 0 H LEU A 67 -23.830 21.627 13.947 1.00 0.00 H new ATOM 0 HA LEU A 67 -21.525 20.221 13.371 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.616 19.130 13.228 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -24.284 20.341 12.152 1.00 0.00 H new ATOM 0 HG LEU A 67 -22.932 19.530 10.305 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.517 17.528 10.541 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -20.933 18.873 11.549 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -21.824 17.524 12.294 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -23.922 17.287 10.052 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -24.324 17.275 11.786 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -25.095 18.457 10.702 1.00 0.00 H new ATOM 990 N GLU A 68 -22.447 22.094 10.795 1.00 0.00 N ATOM 991 CA GLU A 68 -21.950 22.748 9.590 1.00 0.00 C ATOM 992 C GLU A 68 -20.729 23.610 9.903 1.00 0.00 C ATOM 993 O GLU A 68 -19.744 23.597 9.166 1.00 0.00 O ATOM 994 CB GLU A 68 -23.047 23.608 8.960 1.00 0.00 C ATOM 995 CG GLU A 68 -23.694 24.579 9.934 1.00 0.00 C ATOM 996 CD GLU A 68 -24.908 25.272 9.347 1.00 0.00 C ATOM 997 OE1 GLU A 68 -24.791 25.836 8.239 1.00 0.00 O ATOM 998 OE2 GLU A 68 -25.974 25.251 9.996 1.00 0.00 O ATOM 0 H GLU A 68 -23.444 22.227 10.967 1.00 0.00 H new ATOM 0 HA GLU A 68 -21.655 21.973 8.882 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -22.623 24.170 8.127 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -23.816 22.956 8.546 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -23.988 24.042 10.836 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -22.962 25.329 10.234 1.00 0.00 H new ATOM 1005 N GLU A 69 -20.805 24.357 11.000 1.00 0.00 N ATOM 1006 CA GLU A 69 -19.707 25.225 11.409 1.00 0.00 C ATOM 1007 C GLU A 69 -18.393 24.452 11.464 1.00 0.00 C ATOM 1008 O GLU A 69 -17.393 24.862 10.874 1.00 0.00 O ATOM 1009 CB GLU A 69 -20.003 25.848 12.775 1.00 0.00 C ATOM 1010 CG GLU A 69 -20.422 27.307 12.700 1.00 0.00 C ATOM 1011 CD GLU A 69 -20.179 28.051 13.999 1.00 0.00 C ATOM 1012 OE1 GLU A 69 -20.590 27.540 15.062 1.00 0.00 O ATOM 1013 OE2 GLU A 69 -19.578 29.144 13.953 1.00 0.00 O ATOM 0 H GLU A 69 -21.614 24.379 11.621 1.00 0.00 H new ATOM 0 HA GLU A 69 -19.610 26.019 10.668 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.793 25.276 13.262 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -19.116 25.765 13.403 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -19.873 27.798 11.896 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -21.480 27.365 12.445 1.00 0.00 H new ATOM 1020 N LEU A 70 -18.403 23.331 12.177 1.00 0.00 N ATOM 1021 CA LEU A 70 -17.212 22.499 12.311 1.00 0.00 C ATOM 1022 C LEU A 70 -16.712 22.040 10.944 1.00 0.00 C ATOM 1023 O LEU A 70 -15.527 21.754 10.770 1.00 0.00 O ATOM 1024 CB LEU A 70 -17.510 21.284 13.191 1.00 0.00 C ATOM 1025 CG LEU A 70 -18.062 21.585 14.585 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -18.574 20.313 15.243 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -16.997 22.243 15.450 1.00 0.00 C ATOM 0 H LEU A 70 -19.222 22.977 12.671 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.432 23.098 12.781 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -18.225 20.648 12.668 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.592 20.707 13.302 1.00 0.00 H new ATOM 0 HG LEU A 70 -18.897 22.278 14.482 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.963 20.547 16.234 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.369 19.883 14.634 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.758 19.596 15.334 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -17.408 22.450 16.438 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -16.141 21.574 15.545 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -16.678 23.177 14.987 1.00 0.00 H new ATOM 1039 N ARG A 71 -17.622 21.974 9.979 1.00 0.00 N ATOM 1040 CA ARG A 71 -17.274 21.551 8.628 1.00 0.00 C ATOM 1041 C ARG A 71 -16.706 22.717 7.823 1.00 0.00 C ATOM 1042 O ARG A 71 -16.122 22.522 6.756 1.00 0.00 O ATOM 1043 CB ARG A 71 -18.501 20.977 7.917 1.00 0.00 C ATOM 1044 CG ARG A 71 -19.076 19.744 8.596 1.00 0.00 C ATOM 1045 CD ARG A 71 -20.576 19.634 8.372 1.00 0.00 C ATOM 1046 NE ARG A 71 -21.001 18.250 8.181 1.00 0.00 N ATOM 1047 CZ ARG A 71 -22.161 17.907 7.632 1.00 0.00 C ATOM 1048 NH1 ARG A 71 -23.007 18.842 7.222 1.00 0.00 N ATOM 1049 NH2 ARG A 71 -22.476 16.626 7.491 1.00 0.00 N ATOM 0 H ARG A 71 -18.606 22.208 10.107 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.511 20.776 8.703 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.272 21.745 7.864 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -18.231 20.724 6.892 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -18.583 18.852 8.210 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -18.869 19.786 9.665 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.102 20.060 9.226 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -20.856 20.223 7.499 1.00 0.00 H new ATOM 0 HE ARG A 71 -20.373 17.506 8.486 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -22.768 19.828 7.328 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -23.897 18.575 6.801 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -21.827 15.904 7.804 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -23.367 16.363 7.069 1.00 0.00 H new ATOM 1063 N LEU A 72 -16.882 23.927 8.340 1.00 0.00 N ATOM 1064 CA LEU A 72 -16.388 25.125 7.670 1.00 0.00 C ATOM 1065 C LEU A 72 -14.994 25.492 8.169 1.00 0.00 C ATOM 1066 O LEU A 72 -14.247 26.199 7.492 1.00 0.00 O ATOM 1067 CB LEU A 72 -17.348 26.294 7.898 1.00 0.00 C ATOM 1068 CG LEU A 72 -18.440 26.481 6.844 1.00 0.00 C ATOM 1069 CD1 LEU A 72 -17.824 26.708 5.472 1.00 0.00 C ATOM 1070 CD2 LEU A 72 -19.370 25.277 6.820 1.00 0.00 C ATOM 0 H LEU A 72 -17.363 24.105 9.221 1.00 0.00 H new ATOM 0 HA LEU A 72 -16.328 24.915 6.602 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -17.826 26.161 8.868 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.764 27.212 7.954 1.00 0.00 H new ATOM 0 HG LEU A 72 -19.025 27.362 7.107 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -18.616 26.839 4.735 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -17.200 27.601 5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -17.214 25.847 5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -20.141 25.428 6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -18.798 24.380 6.581 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -19.838 25.159 7.797 1.00 0.00 H new ATOM 1082 N VAL A 73 -14.649 25.006 9.357 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.344 25.280 9.945 1.00 0.00 C ATOM 1084 C VAL A 73 -12.403 24.093 9.772 1.00 0.00 C ATOM 1085 O VAL A 73 -11.184 24.257 9.707 1.00 0.00 O ATOM 1086 CB VAL A 73 -13.463 25.613 11.444 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -12.088 25.865 12.046 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -14.373 26.814 11.652 1.00 0.00 C ATOM 0 H VAL A 73 -15.256 24.420 9.931 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.935 26.143 9.420 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.906 24.758 11.954 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.192 26.099 13.106 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.471 24.974 11.930 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.615 26.703 11.534 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.446 27.035 12.717 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.961 27.677 11.129 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.365 26.591 11.259 1.00 0.00 H new ATOM 1098 N PHE A 74 -12.976 22.896 9.699 1.00 0.00 N ATOM 1099 CA PHE A 74 -12.189 21.680 9.534 1.00 0.00 C ATOM 1100 C PHE A 74 -12.516 20.996 8.211 1.00 0.00 C ATOM 1101 O PHE A 74 -12.334 19.788 8.062 1.00 0.00 O ATOM 1102 CB PHE A 74 -12.447 20.719 10.696 1.00 0.00 C ATOM 1103 CG PHE A 74 -12.531 21.401 12.032 1.00 0.00 C ATOM 1104 CD1 PHE A 74 -11.529 22.261 12.449 1.00 0.00 C ATOM 1105 CD2 PHE A 74 -13.613 21.182 12.869 1.00 0.00 C ATOM 1106 CE1 PHE A 74 -11.603 22.890 13.678 1.00 0.00 C ATOM 1107 CE2 PHE A 74 -13.693 21.808 14.099 1.00 0.00 C ATOM 1108 CZ PHE A 74 -12.688 22.664 14.503 1.00 0.00 C ATOM 0 H PHE A 74 -13.983 22.742 9.752 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.135 21.957 9.528 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -13.377 20.181 10.512 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.650 19.976 10.726 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -10.680 22.443 11.807 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -14.403 20.515 12.557 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.814 23.557 13.993 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -14.541 21.628 14.743 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.750 23.156 15.462 1.00 0.00 H new ATOM 1118 N GLY A 75 -13.001 21.778 7.251 1.00 0.00 N ATOM 1119 CA GLY A 75 -13.347 21.230 5.952 1.00 0.00 C ATOM 1120 C GLY A 75 -14.377 20.122 6.046 1.00 0.00 C ATOM 1121 O GLY A 75 -15.222 20.105 6.941 1.00 0.00 O ATOM 0 H GLY A 75 -13.160 22.781 7.350 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.732 22.027 5.316 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.447 20.846 5.472 1.00 0.00 H new ATOM 1125 N PRO A 76 -14.316 19.170 5.103 1.00 0.00 N ATOM 1126 CA PRO A 76 -15.244 18.037 5.060 1.00 0.00 C ATOM 1127 C PRO A 76 -15.013 17.056 6.205 1.00 0.00 C ATOM 1128 O PRO A 76 -15.785 16.114 6.394 1.00 0.00 O ATOM 1129 CB PRO A 76 -14.933 17.374 3.716 1.00 0.00 C ATOM 1130 CG PRO A 76 -13.523 17.754 3.423 1.00 0.00 C ATOM 1131 CD PRO A 76 -13.335 19.127 4.005 1.00 0.00 C ATOM 0 HA PRO A 76 -16.281 18.355 5.163 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.048 16.292 3.773 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.608 17.725 2.936 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.827 17.043 3.868 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.334 17.756 2.349 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.318 19.273 4.369 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.524 19.906 3.266 1.00 0.00 H new ATOM 1139 N LEU A 77 -13.948 17.281 6.965 1.00 0.00 N ATOM 1140 CA LEU A 77 -13.615 16.417 8.092 1.00 0.00 C ATOM 1141 C LEU A 77 -14.545 16.680 9.273 1.00 0.00 C ATOM 1142 O LEU A 77 -14.756 15.809 10.116 1.00 0.00 O ATOM 1143 CB LEU A 77 -12.161 16.633 8.515 1.00 0.00 C ATOM 1144 CG LEU A 77 -11.639 15.712 9.618 1.00 0.00 C ATOM 1145 CD1 LEU A 77 -11.908 14.256 9.270 1.00 0.00 C ATOM 1146 CD2 LEU A 77 -10.152 15.942 9.845 1.00 0.00 C ATOM 0 H LEU A 77 -13.299 18.055 6.822 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.744 15.382 7.775 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.526 16.511 7.637 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.050 17.665 8.848 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.168 15.947 10.542 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.529 13.616 10.067 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.981 14.101 9.159 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.406 14.007 8.335 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.797 15.278 10.633 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.607 15.735 8.924 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.985 16.978 10.140 1.00 0.00 H new ATOM 1158 N GLY A 78 -15.100 17.887 9.325 1.00 0.00 N ATOM 1159 CA GLY A 78 -16.003 18.242 10.405 1.00 0.00 C ATOM 1160 C GLY A 78 -17.119 17.232 10.583 1.00 0.00 C ATOM 1161 O GLY A 78 -17.526 16.939 11.708 1.00 0.00 O ATOM 0 H GLY A 78 -14.941 18.625 8.639 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -15.439 18.323 11.334 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -16.434 19.224 10.207 1.00 0.00 H new ATOM 1165 N ASP A 79 -17.617 16.700 9.472 1.00 0.00 N ATOM 1166 CA ASP A 79 -18.693 15.718 9.511 1.00 0.00 C ATOM 1167 C ASP A 79 -18.328 14.546 10.417 1.00 0.00 C ATOM 1168 O ASP A 79 -19.202 13.895 10.987 1.00 0.00 O ATOM 1169 CB ASP A 79 -19.002 15.212 8.101 1.00 0.00 C ATOM 1170 CG ASP A 79 -20.088 14.154 8.090 1.00 0.00 C ATOM 1171 OD1 ASP A 79 -21.083 14.317 8.826 1.00 0.00 O ATOM 1172 OD2 ASP A 79 -19.942 13.163 7.344 1.00 0.00 O ATOM 0 H ASP A 79 -17.292 16.933 8.534 1.00 0.00 H new ATOM 0 HA ASP A 79 -19.580 16.204 9.917 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -19.310 16.051 7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.094 14.801 7.659 1.00 0.00 H new ATOM 1177 N GLN A 80 -17.031 14.284 10.542 1.00 0.00 N ATOM 1178 CA GLN A 80 -16.550 13.189 11.377 1.00 0.00 C ATOM 1179 C GLN A 80 -16.290 13.665 12.802 1.00 0.00 C ATOM 1180 O GLN A 80 -16.648 12.990 13.768 1.00 0.00 O ATOM 1181 CB GLN A 80 -15.272 12.592 10.785 1.00 0.00 C ATOM 1182 CG GLN A 80 -15.510 11.769 9.529 1.00 0.00 C ATOM 1183 CD GLN A 80 -16.591 10.722 9.713 1.00 0.00 C ATOM 1184 OE1 GLN A 80 -16.471 9.830 10.554 1.00 0.00 O ATOM 1185 NE2 GLN A 80 -17.655 10.825 8.926 1.00 0.00 N ATOM 0 H GLN A 80 -16.295 14.814 10.076 1.00 0.00 H new ATOM 0 HA GLN A 80 -17.323 12.421 11.405 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.577 13.399 10.554 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.793 11.964 11.536 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -15.789 12.434 8.711 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -14.581 11.279 9.239 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -17.713 11.580 8.243 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -18.415 10.149 9.005 1.00 0.00 H new ATOM 1194 N LEU A 81 -15.666 14.831 12.927 1.00 0.00 N ATOM 1195 CA LEU A 81 -15.358 15.398 14.235 1.00 0.00 C ATOM 1196 C LEU A 81 -16.624 15.562 15.069 1.00 0.00 C ATOM 1197 O LEU A 81 -16.652 15.213 16.250 1.00 0.00 O ATOM 1198 CB LEU A 81 -14.659 16.749 14.076 1.00 0.00 C ATOM 1199 CG LEU A 81 -13.333 16.733 13.313 1.00 0.00 C ATOM 1200 CD1 LEU A 81 -12.735 18.130 13.255 1.00 0.00 C ATOM 1201 CD2 LEU A 81 -12.358 15.760 13.959 1.00 0.00 C ATOM 0 H LEU A 81 -15.363 15.402 12.138 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.690 14.710 14.754 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.340 17.430 13.566 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -14.479 17.162 15.069 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.526 16.399 12.293 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.792 18.100 12.709 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.427 18.801 12.747 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.556 18.492 14.268 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.420 15.762 13.403 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.170 16.063 14.989 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.784 14.757 13.948 1.00 0.00 H new ATOM 1213 N HIS A 82 -17.671 16.095 14.447 1.00 0.00 N ATOM 1214 CA HIS A 82 -18.942 16.303 15.132 1.00 0.00 C ATOM 1215 C HIS A 82 -19.477 14.991 15.697 1.00 0.00 C ATOM 1216 O HIS A 82 -19.890 14.925 16.854 1.00 0.00 O ATOM 1217 CB HIS A 82 -19.966 16.915 14.175 1.00 0.00 C ATOM 1218 CG HIS A 82 -21.310 17.137 14.798 1.00 0.00 C ATOM 1219 ND1 HIS A 82 -22.355 16.247 14.672 1.00 0.00 N ATOM 1220 CD2 HIS A 82 -21.776 18.156 15.558 1.00 0.00 C ATOM 1221 CE1 HIS A 82 -23.406 16.709 15.325 1.00 0.00 C ATOM 1222 NE2 HIS A 82 -23.081 17.866 15.872 1.00 0.00 N ATOM 0 H HIS A 82 -17.664 16.390 13.471 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.772 16.991 15.960 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -19.584 17.867 13.807 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -20.079 16.261 13.310 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -21.224 19.034 15.861 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -24.368 16.223 15.399 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -23.699 18.450 16.436 1.00 0.00 H new ATOM 1230 N ALA A 83 -19.465 13.949 14.872 1.00 0.00 N ATOM 1231 CA ALA A 83 -19.947 12.638 15.290 1.00 0.00 C ATOM 1232 C ALA A 83 -19.285 12.199 16.591 1.00 0.00 C ATOM 1233 O ALA A 83 -19.952 11.716 17.505 1.00 0.00 O ATOM 1234 CB ALA A 83 -19.698 11.611 14.196 1.00 0.00 C ATOM 0 H ALA A 83 -19.127 13.987 13.910 1.00 0.00 H new ATOM 0 HA ALA A 83 -21.020 12.712 15.466 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -20.063 10.637 14.522 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -20.223 11.911 13.289 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -18.629 11.549 13.992 1.00 0.00 H new ATOM 1240 N GLN A 84 -17.969 12.370 16.667 1.00 0.00 N ATOM 1241 CA GLN A 84 -17.217 11.990 17.857 1.00 0.00 C ATOM 1242 C GLN A 84 -17.628 12.839 19.056 1.00 0.00 C ATOM 1243 O GLN A 84 -17.931 12.313 20.128 1.00 0.00 O ATOM 1244 CB GLN A 84 -15.715 12.135 17.605 1.00 0.00 C ATOM 1245 CG GLN A 84 -15.115 10.976 16.825 1.00 0.00 C ATOM 1246 CD GLN A 84 -14.169 10.137 17.662 1.00 0.00 C ATOM 1247 OE1 GLN A 84 -13.019 10.514 17.885 1.00 0.00 O ATOM 1248 NE2 GLN A 84 -14.651 8.991 18.130 1.00 0.00 N ATOM 0 H GLN A 84 -17.402 12.769 15.919 1.00 0.00 H new ATOM 0 HA GLN A 84 -17.442 10.947 18.080 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -15.534 13.061 17.060 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.201 12.223 18.562 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -15.918 10.343 16.447 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -14.580 11.364 15.958 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -15.611 8.718 17.920 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -14.061 8.384 18.699 1.00 0.00 H new ATOM 1257 N LEU A 85 -17.636 14.154 18.868 1.00 0.00 N ATOM 1258 CA LEU A 85 -18.009 15.077 19.934 1.00 0.00 C ATOM 1259 C LEU A 85 -19.388 14.737 20.490 1.00 0.00 C ATOM 1260 O LEU A 85 -19.631 14.857 21.691 1.00 0.00 O ATOM 1261 CB LEU A 85 -17.995 16.517 19.417 1.00 0.00 C ATOM 1262 CG LEU A 85 -16.622 17.182 19.320 1.00 0.00 C ATOM 1263 CD1 LEU A 85 -16.699 18.446 18.479 1.00 0.00 C ATOM 1264 CD2 LEU A 85 -16.083 17.495 20.708 1.00 0.00 C ATOM 0 H LEU A 85 -17.388 14.605 17.987 1.00 0.00 H new ATOM 0 HA LEU A 85 -17.279 14.980 20.738 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.454 16.531 18.428 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.624 17.122 20.070 1.00 0.00 H new ATOM 0 HG LEU A 85 -15.937 16.488 18.833 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.712 18.905 18.421 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -17.041 18.195 17.475 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -17.399 19.145 18.937 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.105 17.968 20.620 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -16.768 18.170 21.221 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -15.989 16.571 21.279 1.00 0.00 H new ATOM 1276 N ARG A 86 -20.287 14.311 19.608 1.00 0.00 N ATOM 1277 CA ARG A 86 -21.642 13.953 20.011 1.00 0.00 C ATOM 1278 C ARG A 86 -21.623 12.828 21.042 1.00 0.00 C ATOM 1279 O ARG A 86 -22.543 12.698 21.850 1.00 0.00 O ATOM 1280 CB ARG A 86 -22.464 13.529 18.793 1.00 0.00 C ATOM 1281 CG ARG A 86 -23.113 14.693 18.061 1.00 0.00 C ATOM 1282 CD ARG A 86 -24.505 14.333 17.566 1.00 0.00 C ATOM 1283 NE ARG A 86 -25.413 15.477 17.608 1.00 0.00 N ATOM 1284 CZ ARG A 86 -26.655 15.447 17.137 1.00 0.00 C ATOM 1285 NH1 ARG A 86 -27.134 14.337 16.592 1.00 0.00 N ATOM 1286 NH2 ARG A 86 -27.420 16.528 17.212 1.00 0.00 N ATOM 0 H ARG A 86 -20.102 14.205 18.611 1.00 0.00 H new ATOM 0 HA ARG A 86 -22.103 14.830 20.464 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -21.819 12.989 18.100 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -23.240 12.834 19.113 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -23.174 15.554 18.726 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -22.490 14.986 17.216 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -24.441 13.958 16.544 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -24.910 13.526 18.177 1.00 0.00 H new ATOM 0 HE ARG A 86 -25.075 16.346 18.021 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -26.549 13.504 16.534 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -28.088 14.316 16.231 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -27.055 17.383 17.631 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -28.373 16.504 16.850 1.00 0.00 H new ATOM 1300 N ASP A 87 -20.571 12.018 21.006 1.00 0.00 N ATOM 1301 CA ASP A 87 -20.432 10.904 21.937 1.00 0.00 C ATOM 1302 C ASP A 87 -19.686 11.337 23.196 1.00 0.00 C ATOM 1303 O ASP A 87 -19.905 10.793 24.278 1.00 0.00 O ATOM 1304 CB ASP A 87 -19.697 9.742 21.268 1.00 0.00 C ATOM 1305 CG ASP A 87 -20.602 8.550 21.022 1.00 0.00 C ATOM 1306 OD1 ASP A 87 -21.624 8.716 20.325 1.00 0.00 O ATOM 1307 OD2 ASP A 87 -20.287 7.452 21.526 1.00 0.00 O ATOM 0 H ASP A 87 -19.802 12.112 20.342 1.00 0.00 H new ATOM 0 HA ASP A 87 -21.431 10.575 22.224 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.278 10.078 20.320 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -18.860 9.436 21.895 1.00 0.00 H new ATOM 1312 N LEU A 88 -18.804 12.319 23.045 1.00 0.00 N ATOM 1313 CA LEU A 88 -18.024 12.825 24.169 1.00 0.00 C ATOM 1314 C LEU A 88 -18.915 13.566 25.161 1.00 0.00 C ATOM 1315 O LEU A 88 -18.873 13.308 26.365 1.00 0.00 O ATOM 1316 CB LEU A 88 -16.916 13.754 23.670 1.00 0.00 C ATOM 1317 CG LEU A 88 -15.709 13.072 23.023 1.00 0.00 C ATOM 1318 CD1 LEU A 88 -14.863 14.087 22.270 1.00 0.00 C ATOM 1319 CD2 LEU A 88 -14.875 12.355 24.075 1.00 0.00 C ATOM 0 H LEU A 88 -18.611 12.780 22.156 1.00 0.00 H new ATOM 0 HA LEU A 88 -17.574 11.973 24.679 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.348 14.446 22.947 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -16.563 14.351 24.511 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.072 12.332 22.310 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.009 13.584 21.816 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.464 14.555 21.491 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.508 14.850 22.963 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.021 11.875 23.597 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.521 13.076 24.812 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.485 11.599 24.570 1.00 0.00 H new ATOM 1331 N THR A 89 -19.725 14.487 24.648 1.00 0.00 N ATOM 1332 CA THR A 89 -20.628 15.264 25.487 1.00 0.00 C ATOM 1333 C THR A 89 -21.473 14.357 26.373 1.00 0.00 C ATOM 1334 O THR A 89 -21.500 14.515 27.594 1.00 0.00 O ATOM 1335 CB THR A 89 -21.561 16.149 24.639 1.00 0.00 C ATOM 1336 OG1 THR A 89 -21.839 15.510 23.388 1.00 0.00 O ATOM 1337 CG2 THR A 89 -20.936 17.513 24.390 1.00 0.00 C ATOM 0 H THR A 89 -19.774 14.713 23.655 1.00 0.00 H new ATOM 0 HA THR A 89 -20.006 15.902 26.114 1.00 0.00 H new ATOM 0 HB THR A 89 -22.491 16.289 25.190 1.00 0.00 H new ATOM 0 HG1 THR A 89 -22.434 16.078 22.855 1.00 0.00 H new ATOM 0 HG21 THR A 89 -21.614 18.120 23.789 1.00 0.00 H new ATOM 0 HG22 THR A 89 -20.753 18.009 25.343 1.00 0.00 H new ATOM 0 HG23 THR A 89 -19.992 17.389 23.859 1.00 0.00 H new ATOM 1345 N SER A 90 -22.162 13.405 25.752 1.00 0.00 N ATOM 1346 CA SER A 90 -23.011 12.473 26.485 1.00 0.00 C ATOM 1347 C SER A 90 -23.301 11.230 25.649 1.00 0.00 C ATOM 1348 O SER A 90 -22.959 11.169 24.468 1.00 0.00 O ATOM 1349 CB SER A 90 -24.323 13.151 26.883 1.00 0.00 C ATOM 1350 OG SER A 90 -24.953 13.743 25.760 1.00 0.00 O ATOM 0 H SER A 90 -22.149 13.259 24.743 1.00 0.00 H new ATOM 0 HA SER A 90 -22.480 12.168 27.387 1.00 0.00 H new ATOM 0 HB2 SER A 90 -24.992 12.419 27.335 1.00 0.00 H new ATOM 0 HB3 SER A 90 -24.128 13.913 27.638 1.00 0.00 H new ATOM 0 HG SER A 90 -25.790 14.168 26.041 1.00 0.00 H new ATOM 1356 N SER A 91 -23.934 10.241 26.272 1.00 0.00 N ATOM 1357 CA SER A 91 -24.267 8.997 25.588 1.00 0.00 C ATOM 1358 C SER A 91 -25.773 8.883 25.370 1.00 0.00 C ATOM 1359 O SER A 91 -26.317 7.782 25.286 1.00 0.00 O ATOM 1360 CB SER A 91 -23.764 7.797 26.393 1.00 0.00 C ATOM 1361 OG SER A 91 -23.865 8.039 27.786 1.00 0.00 O ATOM 0 H SER A 91 -24.226 10.277 27.249 1.00 0.00 H new ATOM 0 HA SER A 91 -23.776 9.004 24.615 1.00 0.00 H new ATOM 0 HB2 SER A 91 -24.343 6.911 26.132 1.00 0.00 H new ATOM 0 HB3 SER A 91 -22.727 7.588 26.131 1.00 0.00 H new ATOM 0 HG SER A 91 -23.539 7.257 28.278 1.00 0.00 H new ATOM 1367 N SER A 92 -26.440 10.029 25.281 1.00 0.00 N ATOM 1368 CA SER A 92 -27.883 10.060 25.077 1.00 0.00 C ATOM 1369 C SER A 92 -28.240 10.873 23.836 1.00 0.00 C ATOM 1370 O SER A 92 -27.390 11.551 23.261 1.00 0.00 O ATOM 1371 CB SER A 92 -28.581 10.649 26.305 1.00 0.00 C ATOM 1372 OG SER A 92 -28.896 12.016 26.105 1.00 0.00 O ATOM 0 H SER A 92 -26.004 10.949 25.347 1.00 0.00 H new ATOM 0 HA SER A 92 -28.226 9.036 24.930 1.00 0.00 H new ATOM 0 HB2 SER A 92 -29.493 10.089 26.513 1.00 0.00 H new ATOM 0 HB3 SER A 92 -27.937 10.545 27.178 1.00 0.00 H new ATOM 0 HG SER A 92 -29.343 12.369 26.903 1.00 0.00 H new TER 1378 SER A 92