USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 919 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 41 TYR OH : rot -129:sc= 0.0741 USER MOD Set 1.2: A 67 TYR OH : rot 165:sc= 0.0751 USER MOD Set 2.1: A 62 GLN :FLIP amide:sc= 0 F(o=-1.8!,f=0.7) USER MOD Set 2.2: A 63 GLN : amide:sc= 0.705 K(o=0.7,f=-8.4!) USER MOD Set 3.1: A 46 MET CE :methyl -153:sc= -2.18 (180deg=-3.5!) USER MOD Set 3.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 7 GLN : amide:sc= -0.361 X(o=-0.18,f=0.18) USER MOD Set 4.2: A 29 GLN : amide:sc= 0.186 K(o=-0.18,f=-2.5!) USER MOD Set 5.1: A 10 GLN : amide:sc= -0.0174 X(o=-0.035,f=0) USER MOD Set 5.2: A 26 CYS SG : rot 130:sc= -0.0176 USER MOD Single : A 2 SER OG : rot 37:sc= 0.113 USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 6 LYS NZ :NH3+ 166:sc= -0.0208 (180deg=-0.225) USER MOD Single : A 8 LYS NZ :NH3+ -173:sc= 1.81 (180deg=1.81) USER MOD Single : A 12 ASN : amide:sc= 0.15 X(o=0.15,f=0.26) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc=-0.00868 X(o=-0.0087,f=-0.0092) USER MOD Single : A 27 TYR OH : rot 68:sc= 0.227 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.482 F(o=-2.9!,f=-0.48) USER MOD Single : A 36 GLN :FLIP amide:sc=-0.00674 F(o=-0.53,f=-0.0067) USER MOD Single : A 37 ASN : amide:sc= 0.684 K(o=0.68,f=-2.8) USER MOD Single : A 42 SER OG : rot 38:sc= 0.012 USER MOD Single : A 43 ASN : amide:sc= -4.84! C(o=-4.8!,f=-10!) USER MOD Single : A 44 LYS NZ :NH3+ 165:sc= 1.3 (180deg=1.25) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.895 USER MOD Single : A 56 GLN :FLIP amide:sc= -0.0675 F(o=-0.95,f=-0.067) USER MOD Single : A 59 GLN : amide:sc= -0.0821 X(o=-0.082,f=-0.089) USER MOD Single : A 60 MET CE :methyl 159:sc= -0.198 (180deg=-1.4) USER MOD Single : A 61 CYS SG : rot 77:sc= -0.912 USER MOD Single : A 68 THR OG1 : rot 130:sc= -0.0761 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00899 USER MOD Single : A 73 HIS : no HE2:sc= -1.61! C(o=-1.6!,f=-2.8!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -154:sc= -1.24! (180deg=-1.54!) USER MOD Single : A 81 GLN : amide:sc= -8.3! C(o=-8.3!,f=-9!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 1.21 K(o=1.2,f=-0.0064) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : B 703 THR OG1 : rot 170:sc= -0.58 USER MOD Single : B 705 MET CE :methyl 157:sc= -1.69! (180deg=-3.56!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 23.685 -5.796 -2.386 1.00 0.00 N ATOM 2 CA SER A 2 24.317 -6.278 -3.630 1.00 0.00 C ATOM 3 C SER A 2 23.573 -7.492 -4.182 1.00 0.00 C ATOM 4 O SER A 2 24.132 -8.586 -4.270 1.00 0.00 O ATOM 5 CB SER A 2 25.789 -6.597 -3.394 1.00 0.00 C ATOM 6 OG SER A 2 26.441 -5.430 -2.939 1.00 0.00 O ATOM 0 HA SER A 2 24.258 -5.484 -4.375 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.889 -7.396 -2.659 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.251 -6.952 -4.315 1.00 0.00 H new ATOM 0 HG SER A 2 25.838 -4.926 -2.353 1.00 0.00 H new ATOM 14 N GLN A 3 22.305 -7.296 -4.558 1.00 0.00 N ATOM 15 CA GLN A 3 21.461 -8.358 -5.095 1.00 0.00 C ATOM 16 C GLN A 3 20.328 -7.764 -5.942 1.00 0.00 C ATOM 17 O GLN A 3 19.364 -8.450 -6.276 1.00 0.00 O ATOM 18 CB GLN A 3 20.911 -9.177 -3.921 1.00 0.00 C ATOM 19 CG GLN A 3 20.395 -10.550 -4.368 1.00 0.00 C ATOM 20 CD GLN A 3 19.945 -11.402 -3.184 1.00 0.00 C ATOM 21 OE1 GLN A 3 19.725 -10.900 -2.083 1.00 0.00 O ATOM 22 NE2 GLN A 3 19.805 -12.706 -3.402 1.00 0.00 N ATOM 0 H GLN A 3 21.837 -6.392 -4.497 1.00 0.00 H new ATOM 0 HA GLN A 3 22.043 -9.010 -5.747 1.00 0.00 H new ATOM 0 HB2 GLN A 3 21.694 -9.310 -3.174 1.00 0.00 H new ATOM 0 HB3 GLN A 3 20.103 -8.625 -3.441 1.00 0.00 H new ATOM 0 HG2 GLN A 3 19.561 -10.418 -5.058 1.00 0.00 H new ATOM 0 HG3 GLN A 3 21.180 -11.073 -4.914 1.00 0.00 H new ATOM 0 HE21 GLN A 3 19.995 -13.092 -4.327 1.00 0.00 H new ATOM 0 HE22 GLN A 3 19.507 -13.321 -2.644 1.00 0.00 H new ATOM 31 N PHE A 4 20.436 -6.478 -6.291 1.00 0.00 N ATOM 32 CA PHE A 4 19.384 -5.752 -6.990 1.00 0.00 C ATOM 33 C PHE A 4 20.017 -4.529 -7.619 1.00 0.00 C ATOM 34 O PHE A 4 19.677 -4.119 -8.725 1.00 0.00 O ATOM 35 CB PHE A 4 18.357 -5.302 -5.948 1.00 0.00 C ATOM 36 CG PHE A 4 17.333 -4.288 -6.414 1.00 0.00 C ATOM 37 CD1 PHE A 4 17.628 -2.913 -6.400 1.00 0.00 C ATOM 38 CD2 PHE A 4 16.073 -4.724 -6.839 1.00 0.00 C ATOM 39 CE1 PHE A 4 16.648 -1.978 -6.754 1.00 0.00 C ATOM 40 CE2 PHE A 4 15.095 -3.788 -7.202 1.00 0.00 C ATOM 41 CZ PHE A 4 15.380 -2.416 -7.155 1.00 0.00 C ATOM 0 H PHE A 4 21.262 -5.913 -6.093 1.00 0.00 H new ATOM 0 HA PHE A 4 18.905 -6.368 -7.751 1.00 0.00 H new ATOM 0 HB2 PHE A 4 17.827 -6.183 -5.586 1.00 0.00 H new ATOM 0 HB3 PHE A 4 18.893 -4.881 -5.097 1.00 0.00 H new ATOM 0 HD1 PHE A 4 18.614 -2.577 -6.115 1.00 0.00 H new ATOM 0 HD2 PHE A 4 15.854 -5.781 -6.887 1.00 0.00 H new ATOM 0 HE1 PHE A 4 16.869 -0.922 -6.718 1.00 0.00 H new ATOM 0 HE2 PHE A 4 14.119 -4.125 -7.519 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.622 -1.697 -7.428 1.00 0.00 H new ATOM 51 N GLU A 5 20.957 -3.961 -6.874 1.00 0.00 N ATOM 52 CA GLU A 5 21.732 -2.815 -7.264 1.00 0.00 C ATOM 53 C GLU A 5 22.403 -2.990 -8.614 1.00 0.00 C ATOM 54 O GLU A 5 22.289 -2.113 -9.458 1.00 0.00 O ATOM 55 CB GLU A 5 22.824 -2.628 -6.229 1.00 0.00 C ATOM 56 CG GLU A 5 22.248 -2.198 -4.880 1.00 0.00 C ATOM 57 CD GLU A 5 21.608 -3.345 -4.100 1.00 0.00 C ATOM 58 OE1 GLU A 5 21.987 -4.509 -4.353 1.00 0.00 O ATOM 59 OE2 GLU A 5 20.738 -3.048 -3.251 1.00 0.00 O ATOM 0 H GLU A 5 21.201 -4.308 -5.947 1.00 0.00 H new ATOM 0 HA GLU A 5 21.058 -1.961 -7.334 1.00 0.00 H new ATOM 0 HB2 GLU A 5 23.377 -3.560 -6.110 1.00 0.00 H new ATOM 0 HB3 GLU A 5 23.534 -1.878 -6.579 1.00 0.00 H new ATOM 0 HG2 GLU A 5 23.043 -1.758 -4.278 1.00 0.00 H new ATOM 0 HG3 GLU A 5 21.503 -1.419 -5.043 1.00 0.00 H new ATOM 66 N LYS A 6 23.107 -4.096 -8.861 1.00 0.00 N ATOM 67 CA LYS A 6 23.870 -4.157 -10.090 1.00 0.00 C ATOM 68 C LYS A 6 22.946 -4.229 -11.291 1.00 0.00 C ATOM 69 O LYS A 6 23.210 -3.611 -12.316 1.00 0.00 O ATOM 70 CB LYS A 6 24.785 -5.364 -10.067 1.00 0.00 C ATOM 71 CG LYS A 6 26.189 -4.953 -9.624 1.00 0.00 C ATOM 72 CD LYS A 6 26.269 -4.602 -8.137 1.00 0.00 C ATOM 73 CE LYS A 6 25.954 -5.810 -7.252 1.00 0.00 C ATOM 74 NZ LYS A 6 26.946 -6.890 -7.445 1.00 0.00 N ATOM 0 H LYS A 6 23.161 -4.917 -8.258 1.00 0.00 H new ATOM 0 HA LYS A 6 24.471 -3.251 -10.172 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.387 -6.118 -9.388 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.826 -5.817 -11.057 1.00 0.00 H new ATOM 0 HG2 LYS A 6 26.884 -5.765 -9.838 1.00 0.00 H new ATOM 0 HG3 LYS A 6 26.513 -4.094 -10.212 1.00 0.00 H new ATOM 0 HD2 LYS A 6 27.267 -4.231 -7.904 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.569 -3.796 -7.915 1.00 0.00 H new ATOM 0 HE2 LYS A 6 25.945 -5.505 -6.206 1.00 0.00 H new ATOM 0 HE3 LYS A 6 24.957 -6.183 -7.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 26.854 -7.587 -6.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 26.778 -7.356 -8.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 27.905 -6.487 -7.433 1.00 0.00 H new ATOM 88 N GLN A 7 21.852 -4.981 -11.176 1.00 0.00 N ATOM 89 CA GLN A 7 20.859 -5.072 -12.225 1.00 0.00 C ATOM 90 C GLN A 7 20.161 -3.729 -12.439 1.00 0.00 C ATOM 91 O GLN A 7 19.430 -3.564 -13.414 1.00 0.00 O ATOM 92 CB GLN A 7 19.878 -6.168 -11.844 1.00 0.00 C ATOM 93 CG GLN A 7 20.690 -7.430 -11.539 1.00 0.00 C ATOM 94 CD GLN A 7 19.794 -8.645 -11.517 1.00 0.00 C ATOM 95 OE1 GLN A 7 19.627 -9.295 -10.488 1.00 0.00 O ATOM 96 NE2 GLN A 7 19.211 -8.956 -12.664 1.00 0.00 N ATOM 0 H GLN A 7 21.637 -5.541 -10.351 1.00 0.00 H new ATOM 0 HA GLN A 7 21.332 -5.322 -13.175 1.00 0.00 H new ATOM 0 HB2 GLN A 7 19.291 -5.871 -10.975 1.00 0.00 H new ATOM 0 HB3 GLN A 7 19.175 -6.352 -12.656 1.00 0.00 H new ATOM 0 HG2 GLN A 7 21.468 -7.559 -12.291 1.00 0.00 H new ATOM 0 HG3 GLN A 7 21.191 -7.323 -10.577 1.00 0.00 H new ATOM 0 HE21 GLN A 7 19.380 -8.386 -13.493 1.00 0.00 H new ATOM 0 HE22 GLN A 7 18.593 -9.766 -12.719 1.00 0.00 H new ATOM 105 N LYS A 8 20.382 -2.767 -11.535 1.00 0.00 N ATOM 106 CA LYS A 8 19.793 -1.448 -11.639 1.00 0.00 C ATOM 107 C LYS A 8 20.824 -0.477 -12.191 1.00 0.00 C ATOM 108 O LYS A 8 20.538 0.271 -13.117 1.00 0.00 O ATOM 109 CB LYS A 8 19.368 -1.069 -10.227 1.00 0.00 C ATOM 110 CG LYS A 8 18.729 0.307 -10.142 1.00 0.00 C ATOM 111 CD LYS A 8 18.179 0.401 -8.723 1.00 0.00 C ATOM 112 CE LYS A 8 19.280 0.358 -7.668 1.00 0.00 C ATOM 113 NZ LYS A 8 20.093 1.591 -7.656 1.00 0.00 N ATOM 0 H LYS A 8 20.976 -2.892 -10.715 1.00 0.00 H new ATOM 0 HA LYS A 8 18.938 -1.424 -12.314 1.00 0.00 H new ATOM 0 HB2 LYS A 8 18.664 -1.813 -9.855 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.239 -1.099 -9.572 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.459 1.093 -10.335 1.00 0.00 H new ATOM 0 HG3 LYS A 8 17.936 0.420 -10.881 1.00 0.00 H new ATOM 0 HD2 LYS A 8 17.613 1.327 -8.616 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.483 -0.420 -8.551 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.833 0.211 -6.685 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.927 -0.499 -7.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 20.898 1.470 -7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 20.446 1.784 -8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 19.508 2.389 -7.335 1.00 0.00 H new ATOM 127 N GLU A 9 22.020 -0.505 -11.606 1.00 0.00 N ATOM 128 CA GLU A 9 23.124 0.392 -11.892 1.00 0.00 C ATOM 129 C GLU A 9 23.815 0.055 -13.205 1.00 0.00 C ATOM 130 O GLU A 9 24.356 0.940 -13.864 1.00 0.00 O ATOM 131 CB GLU A 9 24.127 0.269 -10.753 1.00 0.00 C ATOM 132 CG GLU A 9 23.416 0.618 -9.450 1.00 0.00 C ATOM 133 CD GLU A 9 23.214 2.117 -9.296 1.00 0.00 C ATOM 134 OE1 GLU A 9 24.225 2.833 -9.106 1.00 0.00 O ATOM 135 OE2 GLU A 9 22.035 2.530 -9.373 1.00 0.00 O ATOM 0 H GLU A 9 22.251 -1.189 -10.886 1.00 0.00 H new ATOM 0 HA GLU A 9 22.736 1.407 -11.983 1.00 0.00 H new ATOM 0 HB2 GLU A 9 24.528 -0.744 -10.708 1.00 0.00 H new ATOM 0 HB3 GLU A 9 24.971 0.939 -10.916 1.00 0.00 H new ATOM 0 HG2 GLU A 9 22.449 0.117 -9.419 1.00 0.00 H new ATOM 0 HG3 GLU A 9 23.997 0.242 -8.608 1.00 0.00 H new ATOM 142 N GLN A 10 23.798 -1.218 -13.591 1.00 0.00 N ATOM 143 CA GLN A 10 24.346 -1.589 -14.885 1.00 0.00 C ATOM 144 C GLN A 10 23.561 -0.908 -15.999 1.00 0.00 C ATOM 145 O GLN A 10 24.145 -0.386 -16.945 1.00 0.00 O ATOM 146 CB GLN A 10 24.298 -3.108 -15.062 1.00 0.00 C ATOM 147 CG GLN A 10 25.208 -3.524 -16.217 1.00 0.00 C ATOM 148 CD GLN A 10 24.687 -4.779 -16.898 1.00 0.00 C ATOM 149 OE1 GLN A 10 25.138 -5.888 -16.627 1.00 0.00 O ATOM 150 NE2 GLN A 10 23.722 -4.604 -17.798 1.00 0.00 N ATOM 0 H GLN A 10 23.421 -1.989 -13.041 1.00 0.00 H new ATOM 0 HA GLN A 10 25.385 -1.262 -14.934 1.00 0.00 H new ATOM 0 HB2 GLN A 10 24.614 -3.601 -14.142 1.00 0.00 H new ATOM 0 HB3 GLN A 10 23.275 -3.428 -15.260 1.00 0.00 H new ATOM 0 HG2 GLN A 10 25.274 -2.713 -16.943 1.00 0.00 H new ATOM 0 HG3 GLN A 10 26.217 -3.701 -15.844 1.00 0.00 H new ATOM 0 HE21 GLN A 10 23.373 -3.666 -17.996 1.00 0.00 H new ATOM 0 HE22 GLN A 10 23.331 -5.408 -18.290 1.00 0.00 H new ATOM 159 N GLY A 11 22.227 -0.911 -15.886 1.00 0.00 N ATOM 160 CA GLY A 11 21.355 -0.292 -16.873 1.00 0.00 C ATOM 161 C GLY A 11 21.225 1.206 -16.626 1.00 0.00 C ATOM 162 O GLY A 11 20.887 1.956 -17.539 1.00 0.00 O ATOM 0 H GLY A 11 21.730 -1.343 -15.107 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.751 -0.466 -17.873 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.370 -0.757 -16.835 1.00 0.00 H new ATOM 166 N ASN A 12 21.497 1.649 -15.394 1.00 0.00 N ATOM 167 CA ASN A 12 21.457 3.044 -14.989 1.00 0.00 C ATOM 168 C ASN A 12 22.364 3.885 -15.874 1.00 0.00 C ATOM 169 O ASN A 12 22.094 5.065 -16.055 1.00 0.00 O ATOM 170 CB ASN A 12 21.897 3.084 -13.528 1.00 0.00 C ATOM 171 CG ASN A 12 21.796 4.402 -12.782 1.00 0.00 C ATOM 172 OD1 ASN A 12 21.553 5.467 -13.342 1.00 0.00 O ATOM 173 ND2 ASN A 12 21.992 4.289 -11.474 1.00 0.00 N ATOM 0 H ASN A 12 21.758 1.021 -14.633 1.00 0.00 H new ATOM 0 HA ASN A 12 20.456 3.462 -15.095 1.00 0.00 H new ATOM 0 HB2 ASN A 12 21.307 2.347 -12.983 1.00 0.00 H new ATOM 0 HB3 ASN A 12 22.936 2.756 -13.484 1.00 0.00 H new ATOM 0 HD21 ASN A 12 21.944 5.115 -10.878 1.00 0.00 H new ATOM 0 HD22 ASN A 12 22.191 3.376 -11.065 1.00 0.00 H new ATOM 180 N SER A 13 23.430 3.294 -16.424 1.00 0.00 N ATOM 181 CA SER A 13 24.292 4.022 -17.342 1.00 0.00 C ATOM 182 C SER A 13 23.854 3.816 -18.791 1.00 0.00 C ATOM 183 O SER A 13 23.942 4.751 -19.583 1.00 0.00 O ATOM 184 CB SER A 13 25.742 3.584 -17.159 1.00 0.00 C ATOM 185 OG SER A 13 26.134 3.738 -15.807 1.00 0.00 O ATOM 0 H SER A 13 23.708 2.328 -16.249 1.00 0.00 H new ATOM 0 HA SER A 13 24.210 5.085 -17.115 1.00 0.00 H new ATOM 0 HB2 SER A 13 25.856 2.543 -17.462 1.00 0.00 H new ATOM 0 HB3 SER A 13 26.392 4.176 -17.803 1.00 0.00 H new ATOM 0 HG SER A 13 27.065 3.452 -15.702 1.00 0.00 H new ATOM 191 N LEU A 14 23.384 2.618 -19.156 1.00 0.00 N ATOM 192 CA LEU A 14 22.863 2.338 -20.487 1.00 0.00 C ATOM 193 C LEU A 14 21.728 3.291 -20.857 1.00 0.00 C ATOM 194 O LEU A 14 21.596 3.695 -22.010 1.00 0.00 O ATOM 195 CB LEU A 14 22.378 0.901 -20.482 1.00 0.00 C ATOM 196 CG LEU A 14 23.535 -0.069 -20.238 1.00 0.00 C ATOM 197 CD1 LEU A 14 23.222 -1.275 -21.083 1.00 0.00 C ATOM 198 CD2 LEU A 14 24.923 0.405 -20.677 1.00 0.00 C ATOM 0 H LEU A 14 23.357 1.815 -18.528 1.00 0.00 H new ATOM 0 HA LEU A 14 23.643 2.483 -21.234 1.00 0.00 H new ATOM 0 HB2 LEU A 14 21.622 0.772 -19.708 1.00 0.00 H new ATOM 0 HB3 LEU A 14 21.901 0.671 -21.435 1.00 0.00 H new ATOM 0 HG LEU A 14 23.597 -0.222 -19.161 1.00 0.00 H new ATOM 0 HD11 LEU A 14 24.009 -2.019 -20.961 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.269 -1.701 -20.770 1.00 0.00 H new ATOM 0 HD13 LEU A 14 23.161 -0.979 -22.130 1.00 0.00 H new ATOM 0 HD21 LEU A 14 25.659 -0.367 -20.453 1.00 0.00 H new ATOM 0 HD22 LEU A 14 24.918 0.601 -21.749 1.00 0.00 H new ATOM 0 HD23 LEU A 14 25.181 1.319 -20.142 1.00 0.00 H new ATOM 210 N PHE A 15 20.910 3.650 -19.866 1.00 0.00 N ATOM 211 CA PHE A 15 19.807 4.583 -20.031 1.00 0.00 C ATOM 212 C PHE A 15 20.316 5.962 -20.422 1.00 0.00 C ATOM 213 O PHE A 15 19.598 6.730 -21.055 1.00 0.00 O ATOM 214 CB PHE A 15 19.077 4.659 -18.693 1.00 0.00 C ATOM 215 CG PHE A 15 18.204 5.875 -18.506 1.00 0.00 C ATOM 216 CD1 PHE A 15 16.962 5.959 -19.154 1.00 0.00 C ATOM 217 CD2 PHE A 15 18.632 6.919 -17.675 1.00 0.00 C ATOM 218 CE1 PHE A 15 16.143 7.078 -18.956 1.00 0.00 C ATOM 219 CE2 PHE A 15 17.788 8.010 -17.437 1.00 0.00 C ATOM 220 CZ PHE A 15 16.550 8.099 -18.088 1.00 0.00 C ATOM 0 H PHE A 15 21.001 3.293 -18.915 1.00 0.00 H new ATOM 0 HA PHE A 15 19.142 4.242 -20.824 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.459 3.768 -18.583 1.00 0.00 H new ATOM 0 HB3 PHE A 15 19.816 4.635 -17.892 1.00 0.00 H new ATOM 0 HD1 PHE A 15 16.638 5.161 -19.805 1.00 0.00 H new ATOM 0 HD2 PHE A 15 19.610 6.882 -17.219 1.00 0.00 H new ATOM 0 HE1 PHE A 15 15.198 7.153 -19.473 1.00 0.00 H new ATOM 0 HE2 PHE A 15 18.092 8.786 -16.750 1.00 0.00 H new ATOM 0 HZ PHE A 15 15.911 8.953 -17.921 1.00 0.00 H new ATOM 230 N LYS A 16 21.555 6.285 -20.050 1.00 0.00 N ATOM 231 CA LYS A 16 22.111 7.603 -20.295 1.00 0.00 C ATOM 232 C LYS A 16 22.897 7.660 -21.609 1.00 0.00 C ATOM 233 O LYS A 16 23.395 8.725 -21.970 1.00 0.00 O ATOM 234 CB LYS A 16 23.031 7.981 -19.135 1.00 0.00 C ATOM 235 CG LYS A 16 22.506 7.439 -17.812 1.00 0.00 C ATOM 236 CD LYS A 16 23.451 7.813 -16.676 1.00 0.00 C ATOM 237 CE LYS A 16 23.133 9.224 -16.190 1.00 0.00 C ATOM 238 NZ LYS A 16 24.031 9.621 -15.086 1.00 0.00 N ATOM 0 H LYS A 16 22.190 5.643 -19.576 1.00 0.00 H new ATOM 0 HA LYS A 16 21.283 8.308 -20.375 1.00 0.00 H new ATOM 0 HB2 LYS A 16 24.031 7.590 -19.319 1.00 0.00 H new ATOM 0 HB3 LYS A 16 23.119 9.066 -19.077 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.512 7.841 -17.615 1.00 0.00 H new ATOM 0 HG3 LYS A 16 22.406 6.355 -17.869 1.00 0.00 H new ATOM 0 HD2 LYS A 16 23.348 7.103 -15.855 1.00 0.00 H new ATOM 0 HD3 LYS A 16 24.485 7.759 -17.017 1.00 0.00 H new ATOM 0 HE2 LYS A 16 23.234 9.928 -17.016 1.00 0.00 H new ATOM 0 HE3 LYS A 16 22.097 9.272 -15.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 23.793 10.584 -14.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 23.916 8.961 -14.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 25.017 9.597 -15.415 1.00 0.00 H new ATOM 252 N GLN A 17 23.019 6.534 -22.323 1.00 0.00 N ATOM 253 CA GLN A 17 23.864 6.431 -23.503 1.00 0.00 C ATOM 254 C GLN A 17 23.070 6.476 -24.802 1.00 0.00 C ATOM 255 O GLN A 17 23.651 6.735 -25.856 1.00 0.00 O ATOM 256 CB GLN A 17 24.619 5.101 -23.445 1.00 0.00 C ATOM 257 CG GLN A 17 25.727 5.172 -22.398 1.00 0.00 C ATOM 258 CD GLN A 17 26.680 3.993 -22.532 1.00 0.00 C ATOM 259 OE1 GLN A 17 26.153 2.774 -22.441 1.00 0.00 O flip ATOM 260 NE2 GLN A 17 27.882 4.170 -22.718 1.00 0.00 N flip ATOM 0 H GLN A 17 22.530 5.670 -22.092 1.00 0.00 H new ATOM 0 HA GLN A 17 24.541 7.285 -23.499 1.00 0.00 H new ATOM 0 HB2 GLN A 17 23.929 4.293 -23.202 1.00 0.00 H new ATOM 0 HB3 GLN A 17 25.045 4.873 -24.422 1.00 0.00 H new ATOM 0 HG2 GLN A 17 26.279 6.105 -22.510 1.00 0.00 H new ATOM 0 HG3 GLN A 17 25.289 5.179 -21.400 1.00 0.00 H new ATOM 0 HE21 GLN A 17 28.254 5.118 -22.783 1.00 0.00 H new ATOM 0 HE22 GLN A 17 28.508 3.369 -22.807 1.00 0.00 H new ATOM 269 N GLY A 18 21.758 6.229 -24.748 1.00 0.00 N ATOM 270 CA GLY A 18 20.959 6.185 -25.962 1.00 0.00 C ATOM 271 C GLY A 18 20.079 4.962 -26.057 1.00 0.00 C ATOM 272 O GLY A 18 19.073 4.950 -26.767 1.00 0.00 O ATOM 0 H GLY A 18 21.238 6.059 -23.887 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.335 7.077 -26.010 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.623 6.214 -26.826 1.00 0.00 H new ATOM 276 N LEU A 19 20.479 3.930 -25.329 1.00 0.00 N ATOM 277 CA LEU A 19 19.922 2.615 -25.482 1.00 0.00 C ATOM 278 C LEU A 19 19.048 2.281 -24.293 1.00 0.00 C ATOM 279 O LEU A 19 19.274 1.342 -23.534 1.00 0.00 O ATOM 280 CB LEU A 19 21.022 1.624 -25.830 1.00 0.00 C ATOM 281 CG LEU A 19 22.405 1.866 -25.210 1.00 0.00 C ATOM 282 CD1 LEU A 19 22.479 1.127 -23.881 1.00 0.00 C ATOM 283 CD2 LEU A 19 23.501 1.316 -26.118 1.00 0.00 C ATOM 0 H LEU A 19 21.204 3.993 -24.614 1.00 0.00 H new ATOM 0 HA LEU A 19 19.240 2.560 -26.330 1.00 0.00 H new ATOM 0 HB2 LEU A 19 20.688 0.630 -25.533 1.00 0.00 H new ATOM 0 HB3 LEU A 19 21.135 1.612 -26.914 1.00 0.00 H new ATOM 0 HG LEU A 19 22.548 2.938 -25.075 1.00 0.00 H new ATOM 0 HD11 LEU A 19 23.457 1.290 -23.428 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.703 1.501 -23.213 1.00 0.00 H new ATOM 0 HD13 LEU A 19 22.330 0.060 -24.049 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.475 1.496 -25.663 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.357 0.244 -26.254 1.00 0.00 H new ATOM 0 HD23 LEU A 19 23.455 1.814 -27.086 1.00 0.00 H new ATOM 295 N TYR A 20 18.027 3.119 -24.178 1.00 0.00 N ATOM 296 CA TYR A 20 17.018 3.078 -23.149 1.00 0.00 C ATOM 297 C TYR A 20 16.468 1.683 -22.964 1.00 0.00 C ATOM 298 O TYR A 20 16.234 1.294 -21.828 1.00 0.00 O ATOM 299 CB TYR A 20 15.917 4.030 -23.589 1.00 0.00 C ATOM 300 CG TYR A 20 16.488 5.351 -24.035 1.00 0.00 C ATOM 301 CD1 TYR A 20 17.322 6.067 -23.159 1.00 0.00 C ATOM 302 CD2 TYR A 20 16.216 5.849 -25.320 1.00 0.00 C ATOM 303 CE1 TYR A 20 17.889 7.283 -23.573 1.00 0.00 C ATOM 304 CE2 TYR A 20 16.785 7.060 -25.735 1.00 0.00 C ATOM 305 CZ TYR A 20 17.622 7.783 -24.863 1.00 0.00 C ATOM 306 OH TYR A 20 18.172 8.964 -25.266 1.00 0.00 O ATOM 0 H TYR A 20 17.880 3.882 -24.838 1.00 0.00 H new ATOM 0 HA TYR A 20 17.442 3.371 -22.188 1.00 0.00 H new ATOM 0 HB2 TYR A 20 15.349 3.582 -24.404 1.00 0.00 H new ATOM 0 HB3 TYR A 20 15.221 4.191 -22.766 1.00 0.00 H new ATOM 0 HD1 TYR A 20 17.526 5.683 -22.170 1.00 0.00 H new ATOM 0 HD2 TYR A 20 15.569 5.299 -25.987 1.00 0.00 H new ATOM 0 HE1 TYR A 20 18.530 7.835 -22.902 1.00 0.00 H new ATOM 0 HE2 TYR A 20 16.581 7.440 -26.725 1.00 0.00 H new ATOM 0 HH TYR A 20 17.887 9.162 -26.182 1.00 0.00 H new ATOM 316 N ARG A 21 16.262 0.932 -24.054 1.00 0.00 N ATOM 317 CA ARG A 21 15.660 -0.382 -24.005 1.00 0.00 C ATOM 318 C ARG A 21 16.659 -1.386 -23.455 1.00 0.00 C ATOM 319 O ARG A 21 16.273 -2.303 -22.740 1.00 0.00 O ATOM 320 CB ARG A 21 15.263 -0.723 -25.428 1.00 0.00 C ATOM 321 CG ARG A 21 14.757 -2.149 -25.516 1.00 0.00 C ATOM 322 CD ARG A 21 13.676 -2.524 -24.494 1.00 0.00 C ATOM 323 NE ARG A 21 12.391 -1.882 -24.799 1.00 0.00 N ATOM 324 CZ ARG A 21 11.213 -2.342 -24.367 1.00 0.00 C ATOM 325 NH1 ARG A 21 11.146 -3.437 -23.610 1.00 0.00 N ATOM 326 NH2 ARG A 21 10.089 -1.712 -24.691 1.00 0.00 N ATOM 0 H ARG A 21 16.515 1.233 -24.995 1.00 0.00 H new ATOM 0 HA ARG A 21 14.789 -0.407 -23.350 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.489 -0.036 -25.770 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.119 -0.594 -26.090 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.361 -2.315 -26.518 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.602 -2.826 -25.391 1.00 0.00 H new ATOM 0 HD2 ARG A 21 13.548 -3.606 -24.481 1.00 0.00 H new ATOM 0 HD3 ARG A 21 14.001 -2.230 -23.496 1.00 0.00 H new ATOM 0 HE ARG A 21 12.398 -1.038 -25.372 1.00 0.00 H new ATOM 0 HH11 ARG A 21 12.000 -3.933 -23.354 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.241 -3.779 -23.286 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.123 -0.874 -25.272 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.192 -2.066 -24.359 1.00 0.00 H new ATOM 340 N GLU A 22 17.941 -1.216 -23.779 1.00 0.00 N ATOM 341 CA GLU A 22 18.970 -2.079 -23.220 1.00 0.00 C ATOM 342 C GLU A 22 19.094 -1.826 -21.720 1.00 0.00 C ATOM 343 O GLU A 22 19.579 -2.684 -20.985 1.00 0.00 O ATOM 344 CB GLU A 22 20.313 -1.820 -23.901 1.00 0.00 C ATOM 345 CG GLU A 22 20.228 -2.114 -25.395 1.00 0.00 C ATOM 346 CD GLU A 22 21.586 -2.002 -26.091 1.00 0.00 C ATOM 347 OE1 GLU A 22 22.593 -2.434 -25.486 1.00 0.00 O ATOM 348 OE2 GLU A 22 21.608 -1.483 -27.231 1.00 0.00 O ATOM 0 H GLU A 22 18.284 -0.498 -24.417 1.00 0.00 H new ATOM 0 HA GLU A 22 18.687 -3.118 -23.391 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.610 -0.783 -23.746 1.00 0.00 H new ATOM 0 HB3 GLU A 22 21.083 -2.444 -23.446 1.00 0.00 H new ATOM 0 HG2 GLU A 22 19.829 -3.118 -25.543 1.00 0.00 H new ATOM 0 HG3 GLU A 22 19.527 -1.421 -25.859 1.00 0.00 H new ATOM 355 N ALA A 23 18.657 -0.647 -21.263 1.00 0.00 N ATOM 356 CA ALA A 23 18.686 -0.305 -19.856 1.00 0.00 C ATOM 357 C ALA A 23 17.556 -1.011 -19.102 1.00 0.00 C ATOM 358 O ALA A 23 17.740 -1.427 -17.960 1.00 0.00 O ATOM 359 CB ALA A 23 18.557 1.214 -19.732 1.00 0.00 C ATOM 0 H ALA A 23 18.277 0.086 -21.862 1.00 0.00 H new ATOM 0 HA ALA A 23 19.625 -0.635 -19.412 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.576 1.496 -18.679 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.387 1.693 -20.251 1.00 0.00 H new ATOM 0 HB3 ALA A 23 17.616 1.537 -20.177 1.00 0.00 H new ATOM 365 N VAL A 24 16.388 -1.149 -19.737 1.00 0.00 N ATOM 366 CA VAL A 24 15.185 -1.709 -19.153 1.00 0.00 C ATOM 367 C VAL A 24 15.334 -3.205 -19.045 1.00 0.00 C ATOM 368 O VAL A 24 14.771 -3.874 -18.185 1.00 0.00 O ATOM 369 CB VAL A 24 13.971 -1.415 -20.030 1.00 0.00 C ATOM 370 CG1 VAL A 24 14.130 -0.167 -20.863 1.00 0.00 C ATOM 371 CG2 VAL A 24 13.413 -2.578 -20.829 1.00 0.00 C ATOM 0 H VAL A 24 16.259 -0.861 -20.707 1.00 0.00 H new ATOM 0 HA VAL A 24 15.040 -1.260 -18.170 1.00 0.00 H new ATOM 0 HB VAL A 24 13.192 -1.222 -19.293 1.00 0.00 H new ATOM 0 HG11 VAL A 24 13.233 -0.014 -21.464 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.279 0.691 -20.208 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.993 -0.276 -21.520 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.554 -2.242 -21.410 1.00 0.00 H new ATOM 0 HG22 VAL A 24 14.181 -2.958 -21.503 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.102 -3.371 -20.149 1.00 0.00 H new ATOM 381 N HIS A 25 16.126 -3.699 -19.978 1.00 0.00 N ATOM 382 CA HIS A 25 16.418 -5.092 -20.149 1.00 0.00 C ATOM 383 C HIS A 25 17.149 -5.689 -18.944 1.00 0.00 C ATOM 384 O HIS A 25 17.371 -6.896 -18.887 1.00 0.00 O ATOM 385 CB HIS A 25 17.235 -5.216 -21.426 1.00 0.00 C ATOM 386 CG HIS A 25 16.690 -6.230 -22.386 1.00 0.00 C ATOM 387 ND1 HIS A 25 16.362 -7.560 -22.117 1.00 0.00 N ATOM 388 CD2 HIS A 25 16.410 -5.949 -23.687 1.00 0.00 C ATOM 389 CE1 HIS A 25 15.874 -8.038 -23.274 1.00 0.00 C ATOM 390 NE2 HIS A 25 15.907 -7.102 -24.237 1.00 0.00 N ATOM 0 H HIS A 25 16.599 -3.107 -20.661 1.00 0.00 H new ATOM 0 HA HIS A 25 15.493 -5.663 -20.225 1.00 0.00 H new ATOM 0 HB2 HIS A 25 17.274 -4.245 -21.919 1.00 0.00 H new ATOM 0 HB3 HIS A 25 18.259 -5.485 -21.168 1.00 0.00 H new ATOM 0 HD2 HIS A 25 16.555 -5.004 -24.189 1.00 0.00 H new ATOM 0 HE1 HIS A 25 15.504 -9.043 -23.412 1.00 0.00 H new ATOM 0 HE2 HIS A 25 15.611 -7.226 -25.205 1.00 0.00 H new ATOM 398 N CYS A 26 17.518 -4.840 -17.978 1.00 0.00 N ATOM 399 CA CYS A 26 18.096 -5.258 -16.709 1.00 0.00 C ATOM 400 C CYS A 26 17.241 -4.710 -15.568 1.00 0.00 C ATOM 401 O CYS A 26 17.168 -5.305 -14.494 1.00 0.00 O ATOM 402 CB CYS A 26 19.535 -4.750 -16.607 1.00 0.00 C ATOM 403 SG CYS A 26 20.530 -5.472 -17.935 1.00 0.00 S ATOM 0 H CYS A 26 17.419 -3.828 -18.064 1.00 0.00 H new ATOM 0 HA CYS A 26 18.114 -6.346 -16.644 1.00 0.00 H new ATOM 0 HB2 CYS A 26 19.553 -3.662 -16.676 1.00 0.00 H new ATOM 0 HB3 CYS A 26 19.957 -5.015 -15.638 1.00 0.00 H new ATOM 0 HG CYS A 26 21.183 -4.530 -18.549 1.00 0.00 H new ATOM 409 N TYR A 27 16.591 -3.572 -15.814 1.00 0.00 N ATOM 410 CA TYR A 27 15.580 -2.990 -14.947 1.00 0.00 C ATOM 411 C TYR A 27 14.438 -3.972 -14.723 1.00 0.00 C ATOM 412 O TYR A 27 13.846 -4.006 -13.650 1.00 0.00 O ATOM 413 CB TYR A 27 15.014 -1.788 -15.687 1.00 0.00 C ATOM 414 CG TYR A 27 15.915 -0.592 -15.847 1.00 0.00 C ATOM 415 CD1 TYR A 27 17.170 -0.522 -15.220 1.00 0.00 C ATOM 416 CD2 TYR A 27 15.471 0.472 -16.644 1.00 0.00 C ATOM 417 CE1 TYR A 27 17.969 0.617 -15.385 1.00 0.00 C ATOM 418 CE2 TYR A 27 16.260 1.609 -16.818 1.00 0.00 C ATOM 419 CZ TYR A 27 17.515 1.683 -16.184 1.00 0.00 C ATOM 420 OH TYR A 27 18.287 2.791 -16.339 1.00 0.00 O ATOM 0 H TYR A 27 16.763 -3.016 -16.651 1.00 0.00 H new ATOM 0 HA TYR A 27 16.019 -2.728 -13.984 1.00 0.00 H new ATOM 0 HB2 TYR A 27 14.708 -2.116 -16.680 1.00 0.00 H new ATOM 0 HB3 TYR A 27 14.112 -1.465 -15.167 1.00 0.00 H new ATOM 0 HD1 TYR A 27 17.518 -1.344 -14.612 1.00 0.00 H new ATOM 0 HD2 TYR A 27 14.508 0.411 -17.129 1.00 0.00 H new ATOM 0 HE1 TYR A 27 18.932 0.677 -14.900 1.00 0.00 H new ATOM 0 HE2 TYR A 27 15.911 2.425 -17.433 1.00 0.00 H new ATOM 0 HH TYR A 27 19.085 2.563 -16.860 1.00 0.00 H new ATOM 430 N ASP A 28 14.127 -4.777 -15.741 1.00 0.00 N ATOM 431 CA ASP A 28 13.032 -5.726 -15.694 1.00 0.00 C ATOM 432 C ASP A 28 13.271 -6.768 -14.612 1.00 0.00 C ATOM 433 O ASP A 28 12.317 -7.296 -14.037 1.00 0.00 O ATOM 434 CB ASP A 28 12.888 -6.375 -17.069 1.00 0.00 C ATOM 435 CG ASP A 28 11.673 -7.295 -17.128 1.00 0.00 C ATOM 436 OD1 ASP A 28 10.544 -6.758 -17.093 1.00 0.00 O ATOM 437 OD2 ASP A 28 11.880 -8.527 -17.207 1.00 0.00 O ATOM 0 H ASP A 28 14.637 -4.782 -16.624 1.00 0.00 H new ATOM 0 HA ASP A 28 12.105 -5.210 -15.443 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.797 -5.600 -17.830 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.788 -6.944 -17.300 1.00 0.00 H new ATOM 442 N GLN A 29 14.541 -7.076 -14.317 1.00 0.00 N ATOM 443 CA GLN A 29 14.841 -8.014 -13.256 1.00 0.00 C ATOM 444 C GLN A 29 14.701 -7.378 -11.876 1.00 0.00 C ATOM 445 O GLN A 29 14.680 -8.096 -10.880 1.00 0.00 O ATOM 446 CB GLN A 29 16.240 -8.597 -13.430 1.00 0.00 C ATOM 447 CG GLN A 29 16.311 -9.469 -14.685 1.00 0.00 C ATOM 448 CD GLN A 29 16.906 -8.722 -15.872 1.00 0.00 C ATOM 449 OE1 GLN A 29 18.108 -8.485 -15.916 1.00 0.00 O ATOM 450 NE2 GLN A 29 16.073 -8.352 -16.841 1.00 0.00 N ATOM 0 H GLN A 29 15.356 -6.691 -14.795 1.00 0.00 H new ATOM 0 HA GLN A 29 14.111 -8.820 -13.324 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.969 -7.790 -13.500 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.504 -9.190 -12.554 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.912 -10.354 -14.477 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.310 -9.816 -14.941 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.079 -8.567 -16.769 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.429 -7.853 -17.656 1.00 0.00 H new ATOM 459 N LEU A 30 14.603 -6.046 -11.783 1.00 0.00 N ATOM 460 CA LEU A 30 14.351 -5.398 -10.503 1.00 0.00 C ATOM 461 C LEU A 30 12.932 -5.716 -10.068 1.00 0.00 C ATOM 462 O LEU A 30 12.670 -5.901 -8.885 1.00 0.00 O ATOM 463 CB LEU A 30 14.506 -3.887 -10.634 1.00 0.00 C ATOM 464 CG LEU A 30 15.863 -3.491 -11.189 1.00 0.00 C ATOM 465 CD1 LEU A 30 16.041 -1.985 -11.065 1.00 0.00 C ATOM 466 CD2 LEU A 30 17.011 -4.188 -10.463 1.00 0.00 C ATOM 0 H LEU A 30 14.694 -5.407 -12.573 1.00 0.00 H new ATOM 0 HA LEU A 30 15.067 -5.763 -9.767 1.00 0.00 H new ATOM 0 HB2 LEU A 30 13.723 -3.499 -11.285 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.367 -3.424 -9.657 1.00 0.00 H new ATOM 0 HG LEU A 30 15.891 -3.800 -12.234 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.015 -1.700 -11.463 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.257 -1.478 -11.627 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.979 -1.697 -10.016 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.960 -3.872 -10.896 1.00 0.00 H new ATOM 0 HD22 LEU A 30 16.988 -3.922 -9.406 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.906 -5.268 -10.568 1.00 0.00 H new ATOM 478 N ILE A 31 12.016 -5.778 -11.034 1.00 0.00 N ATOM 479 CA ILE A 31 10.641 -6.115 -10.740 1.00 0.00 C ATOM 480 C ILE A 31 10.518 -7.610 -10.489 1.00 0.00 C ATOM 481 O ILE A 31 9.694 -8.052 -9.712 1.00 0.00 O ATOM 482 CB ILE A 31 9.729 -5.707 -11.897 1.00 0.00 C ATOM 483 CG1 ILE A 31 9.902 -4.249 -12.323 1.00 0.00 C ATOM 484 CG2 ILE A 31 8.320 -5.844 -11.366 1.00 0.00 C ATOM 485 CD1 ILE A 31 10.630 -4.163 -13.652 1.00 0.00 C ATOM 0 H ILE A 31 12.209 -5.599 -12.019 1.00 0.00 H new ATOM 0 HA ILE A 31 10.334 -5.572 -9.846 1.00 0.00 H new ATOM 0 HB ILE A 31 9.961 -6.329 -12.762 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.926 -3.770 -12.405 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.460 -3.706 -11.561 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.609 -5.567 -12.144 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.144 -6.877 -11.065 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.190 -5.188 -10.506 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.743 -3.117 -13.938 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.614 -4.622 -13.558 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.056 -4.688 -14.416 1.00 0.00 H new ATOM 497 N THR A 32 11.336 -8.428 -11.136 1.00 0.00 N ATOM 498 CA THR A 32 11.255 -9.862 -10.908 1.00 0.00 C ATOM 499 C THR A 32 11.995 -10.268 -9.636 1.00 0.00 C ATOM 500 O THR A 32 11.640 -11.274 -9.019 1.00 0.00 O ATOM 501 CB THR A 32 11.876 -10.544 -12.129 1.00 0.00 C ATOM 502 OG1 THR A 32 11.057 -10.328 -13.257 1.00 0.00 O ATOM 503 CG2 THR A 32 12.099 -12.043 -11.963 1.00 0.00 C ATOM 0 H THR A 32 12.046 -8.133 -11.806 1.00 0.00 H new ATOM 0 HA THR A 32 10.216 -10.163 -10.775 1.00 0.00 H new ATOM 0 HB THR A 32 12.861 -10.093 -12.255 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.456 -10.763 -14.039 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.542 -12.448 -12.873 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.770 -12.220 -11.123 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.144 -12.534 -11.774 1.00 0.00 H new ATOM 511 N ALA A 33 13.014 -9.506 -9.231 1.00 0.00 N ATOM 512 CA ALA A 33 13.725 -9.789 -7.997 1.00 0.00 C ATOM 513 C ALA A 33 12.986 -9.158 -6.822 1.00 0.00 C ATOM 514 O ALA A 33 13.062 -9.652 -5.698 1.00 0.00 O ATOM 515 CB ALA A 33 15.137 -9.210 -8.078 1.00 0.00 C ATOM 0 H ALA A 33 13.359 -8.693 -9.742 1.00 0.00 H new ATOM 0 HA ALA A 33 13.780 -10.868 -7.853 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.671 -9.422 -7.152 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.668 -9.663 -8.915 1.00 0.00 H new ATOM 0 HB3 ALA A 33 15.080 -8.131 -8.225 1.00 0.00 H new ATOM 521 N GLN A 34 12.273 -8.063 -7.094 1.00 0.00 N ATOM 522 CA GLN A 34 11.508 -7.332 -6.112 1.00 0.00 C ATOM 523 C GLN A 34 10.246 -6.776 -6.763 1.00 0.00 C ATOM 524 O GLN A 34 10.119 -5.583 -7.018 1.00 0.00 O ATOM 525 CB GLN A 34 12.416 -6.227 -5.605 1.00 0.00 C ATOM 526 CG GLN A 34 12.276 -5.927 -4.118 1.00 0.00 C ATOM 527 CD GLN A 34 13.357 -4.906 -3.795 1.00 0.00 C ATOM 528 OE1 GLN A 34 14.555 -5.170 -4.305 1.00 0.00 O flip ATOM 529 NE2 GLN A 34 13.122 -3.910 -3.113 1.00 0.00 N flip ATOM 0 H GLN A 34 12.218 -7.660 -8.029 1.00 0.00 H new ATOM 0 HA GLN A 34 11.185 -7.961 -5.283 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.451 -6.501 -5.812 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.209 -5.317 -6.168 1.00 0.00 H new ATOM 0 HG2 GLN A 34 11.286 -5.532 -3.891 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.403 -6.832 -3.523 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.184 -3.754 -2.745 1.00 0.00 H new ATOM 0 HE22 GLN A 34 13.865 -3.240 -2.916 1.00 0.00 H new ATOM 538 N PRO A 35 9.299 -7.666 -7.038 1.00 0.00 N ATOM 539 CA PRO A 35 8.058 -7.341 -7.721 1.00 0.00 C ATOM 540 C PRO A 35 7.187 -6.469 -6.843 1.00 0.00 C ATOM 541 O PRO A 35 6.169 -5.927 -7.271 1.00 0.00 O ATOM 542 CB PRO A 35 7.438 -8.682 -8.054 1.00 0.00 C ATOM 543 CG PRO A 35 8.213 -9.742 -7.272 1.00 0.00 C ATOM 544 CD PRO A 35 9.405 -9.050 -6.657 1.00 0.00 C ATOM 0 HA PRO A 35 8.202 -6.757 -8.630 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.383 -8.697 -7.781 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.493 -8.877 -9.125 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.585 -10.188 -6.501 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.533 -10.550 -7.930 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.402 -9.158 -5.572 1.00 0.00 H new ATOM 0 HD3 PRO A 35 10.337 -9.484 -7.018 1.00 0.00 H new ATOM 552 N GLN A 36 7.636 -6.358 -5.600 1.00 0.00 N ATOM 553 CA GLN A 36 7.119 -5.411 -4.631 1.00 0.00 C ATOM 554 C GLN A 36 8.040 -4.206 -4.441 1.00 0.00 C ATOM 555 O GLN A 36 8.229 -3.730 -3.323 1.00 0.00 O ATOM 556 CB GLN A 36 6.799 -6.093 -3.308 1.00 0.00 C ATOM 557 CG GLN A 36 5.886 -7.306 -3.473 1.00 0.00 C ATOM 558 CD GLN A 36 6.634 -8.583 -3.114 1.00 0.00 C ATOM 559 OE1 GLN A 36 7.335 -9.158 -4.086 1.00 0.00 O flip ATOM 560 NE2 GLN A 36 6.586 -9.049 -1.977 1.00 0.00 N flip ATOM 0 H GLN A 36 8.388 -6.940 -5.232 1.00 0.00 H new ATOM 0 HA GLN A 36 6.185 -5.021 -5.036 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.728 -6.406 -2.832 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.324 -5.375 -2.640 1.00 0.00 H new ATOM 0 HG2 GLN A 36 5.009 -7.199 -2.835 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.528 -7.363 -4.501 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.037 -8.580 -1.256 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.095 -9.905 -1.755 1.00 0.00 H new ATOM 569 N ASN A 37 8.615 -3.710 -5.539 1.00 0.00 N ATOM 570 CA ASN A 37 9.465 -2.530 -5.521 1.00 0.00 C ATOM 571 C ASN A 37 9.169 -1.653 -6.728 1.00 0.00 C ATOM 572 O ASN A 37 8.879 -2.146 -7.817 1.00 0.00 O ATOM 573 CB ASN A 37 10.935 -2.953 -5.483 1.00 0.00 C ATOM 574 CG ASN A 37 11.657 -2.581 -6.764 1.00 0.00 C ATOM 575 OD1 ASN A 37 12.345 -1.569 -6.836 1.00 0.00 O ATOM 576 ND2 ASN A 37 11.488 -3.409 -7.783 1.00 0.00 N ATOM 0 H ASN A 37 8.500 -4.121 -6.466 1.00 0.00 H new ATOM 0 HA ASN A 37 9.257 -1.944 -4.626 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.429 -2.478 -4.635 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.000 -4.030 -5.328 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.940 -3.217 -8.677 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.905 -4.239 -7.674 1.00 0.00 H new ATOM 583 N PRO A 38 9.241 -0.339 -6.521 1.00 0.00 N ATOM 584 CA PRO A 38 8.871 0.642 -7.508 1.00 0.00 C ATOM 585 C PRO A 38 9.997 1.092 -8.432 1.00 0.00 C ATOM 586 O PRO A 38 9.704 1.253 -9.611 1.00 0.00 O ATOM 587 CB PRO A 38 8.404 1.794 -6.660 1.00 0.00 C ATOM 588 CG PRO A 38 9.278 1.756 -5.408 1.00 0.00 C ATOM 589 CD PRO A 38 9.628 0.287 -5.267 1.00 0.00 C ATOM 0 HA PRO A 38 8.134 0.234 -8.200 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.515 2.741 -7.188 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.349 1.693 -6.406 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.170 2.372 -5.522 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.744 2.127 -4.534 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.693 0.156 -5.078 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.098 -0.162 -4.427 1.00 0.00 H new ATOM 597 N VAL A 39 11.245 1.304 -7.984 1.00 0.00 N ATOM 598 CA VAL A 39 12.310 1.592 -8.926 1.00 0.00 C ATOM 599 C VAL A 39 12.268 0.661 -10.123 1.00 0.00 C ATOM 600 O VAL A 39 12.589 1.053 -11.241 1.00 0.00 O ATOM 601 CB VAL A 39 13.685 1.527 -8.279 1.00 0.00 C ATOM 602 CG1 VAL A 39 13.762 1.531 -6.767 1.00 0.00 C ATOM 603 CG2 VAL A 39 14.628 0.509 -8.911 1.00 0.00 C ATOM 0 H VAL A 39 11.525 1.280 -7.003 1.00 0.00 H new ATOM 0 HA VAL A 39 12.140 2.613 -9.267 1.00 0.00 H new ATOM 0 HB VAL A 39 14.059 2.519 -8.532 1.00 0.00 H new ATOM 0 HG11 VAL A 39 14.805 1.481 -6.456 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.312 2.446 -6.382 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.224 0.669 -6.373 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.585 0.527 -8.390 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.192 -0.487 -8.834 1.00 0.00 H new ATOM 0 HG23 VAL A 39 14.781 0.758 -9.961 1.00 0.00 H new ATOM 613 N GLY A 40 11.861 -0.570 -9.843 1.00 0.00 N ATOM 614 CA GLY A 40 11.688 -1.605 -10.849 1.00 0.00 C ATOM 615 C GLY A 40 10.842 -1.066 -11.994 1.00 0.00 C ATOM 616 O GLY A 40 11.258 -1.108 -13.150 1.00 0.00 O ATOM 0 H GLY A 40 11.639 -0.880 -8.897 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.659 -1.930 -11.222 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.208 -2.479 -10.408 1.00 0.00 H new ATOM 620 N TYR A 41 9.657 -0.547 -11.678 1.00 0.00 N ATOM 621 CA TYR A 41 8.787 0.064 -12.655 1.00 0.00 C ATOM 622 C TYR A 41 9.328 1.432 -13.053 1.00 0.00 C ATOM 623 O TYR A 41 9.107 1.870 -14.175 1.00 0.00 O ATOM 624 CB TYR A 41 7.441 0.260 -11.970 1.00 0.00 C ATOM 625 CG TYR A 41 6.768 -1.017 -11.532 1.00 0.00 C ATOM 626 CD1 TYR A 41 6.076 -1.804 -12.463 1.00 0.00 C ATOM 627 CD2 TYR A 41 6.849 -1.406 -10.193 1.00 0.00 C ATOM 628 CE1 TYR A 41 5.470 -2.999 -12.051 1.00 0.00 C ATOM 629 CE2 TYR A 41 6.245 -2.600 -9.769 1.00 0.00 C ATOM 630 CZ TYR A 41 5.556 -3.403 -10.702 1.00 0.00 C ATOM 631 OH TYR A 41 4.972 -4.566 -10.301 1.00 0.00 O ATOM 0 H TYR A 41 9.281 -0.543 -10.730 1.00 0.00 H new ATOM 0 HA TYR A 41 8.711 -0.558 -13.547 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.581 0.899 -11.098 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.776 0.791 -12.651 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.010 -1.491 -13.494 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.377 -0.787 -9.483 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.938 -3.610 -12.765 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.307 -2.902 -8.734 1.00 0.00 H new ATOM 0 HH TYR A 41 4.408 -4.396 -9.518 1.00 0.00 H new ATOM 641 N SER A 42 10.034 2.107 -12.142 1.00 0.00 N ATOM 642 CA SER A 42 10.390 3.513 -12.308 1.00 0.00 C ATOM 643 C SER A 42 11.438 3.724 -13.392 1.00 0.00 C ATOM 644 O SER A 42 11.383 4.723 -14.106 1.00 0.00 O ATOM 645 CB SER A 42 10.907 4.087 -10.988 1.00 0.00 C ATOM 646 OG SER A 42 10.005 3.809 -9.946 1.00 0.00 O ATOM 0 H SER A 42 10.372 1.694 -11.273 1.00 0.00 H new ATOM 0 HA SER A 42 9.483 4.034 -12.615 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.883 3.661 -10.756 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.044 5.164 -11.081 1.00 0.00 H new ATOM 0 HG SER A 42 9.629 2.913 -10.070 1.00 0.00 H new ATOM 652 N ASN A 43 12.392 2.804 -13.533 1.00 0.00 N ATOM 653 CA ASN A 43 13.438 2.980 -14.523 1.00 0.00 C ATOM 654 C ASN A 43 13.062 2.278 -15.828 1.00 0.00 C ATOM 655 O ASN A 43 13.375 2.778 -16.909 1.00 0.00 O ATOM 656 CB ASN A 43 14.777 2.531 -13.946 1.00 0.00 C ATOM 657 CG ASN A 43 14.803 1.118 -13.381 1.00 0.00 C ATOM 658 OD1 ASN A 43 13.897 0.322 -13.599 1.00 0.00 O ATOM 659 ND2 ASN A 43 15.861 0.800 -12.642 1.00 0.00 N ATOM 0 H ASN A 43 12.457 1.947 -12.983 1.00 0.00 H new ATOM 0 HA ASN A 43 13.546 4.036 -14.773 1.00 0.00 H new ATOM 0 HB2 ASN A 43 15.534 2.606 -14.727 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.064 3.225 -13.156 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.938 -0.132 -12.235 1.00 0.00 H new ATOM 0 HD22 ASN A 43 16.596 1.488 -12.481 1.00 0.00 H new ATOM 666 N LYS A 44 12.387 1.126 -15.742 1.00 0.00 N ATOM 667 CA LYS A 44 11.776 0.473 -16.895 1.00 0.00 C ATOM 668 C LYS A 44 10.726 1.418 -17.482 1.00 0.00 C ATOM 669 O LYS A 44 10.366 1.276 -18.643 1.00 0.00 O ATOM 670 CB LYS A 44 11.158 -0.840 -16.418 1.00 0.00 C ATOM 671 CG LYS A 44 10.443 -1.580 -17.556 1.00 0.00 C ATOM 672 CD LYS A 44 9.903 -2.916 -17.042 1.00 0.00 C ATOM 673 CE LYS A 44 9.134 -3.624 -18.155 1.00 0.00 C ATOM 674 NZ LYS A 44 8.578 -4.907 -17.686 1.00 0.00 N ATOM 0 H LYS A 44 12.251 0.622 -14.866 1.00 0.00 H new ATOM 0 HA LYS A 44 12.505 0.250 -17.674 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.937 -1.479 -16.002 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.450 -0.638 -15.615 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.626 -0.971 -17.942 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.133 -1.749 -18.383 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.725 -3.544 -16.699 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.250 -2.750 -16.185 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.327 -2.982 -18.508 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.796 -3.800 -19.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.861 -5.242 -18.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.341 -5.610 -17.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.139 -4.775 -16.752 1.00 0.00 H new ATOM 688 N ALA A 45 10.240 2.379 -16.689 1.00 0.00 N ATOM 689 CA ALA A 45 9.276 3.369 -17.166 1.00 0.00 C ATOM 690 C ALA A 45 9.973 4.592 -17.745 1.00 0.00 C ATOM 691 O ALA A 45 9.601 5.054 -18.822 1.00 0.00 O ATOM 692 CB ALA A 45 8.381 3.832 -16.019 1.00 0.00 C ATOM 0 H ALA A 45 10.502 2.490 -15.709 1.00 0.00 H new ATOM 0 HA ALA A 45 8.683 2.889 -17.945 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.668 4.569 -16.389 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.841 2.978 -15.611 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.994 4.280 -15.237 1.00 0.00 H new ATOM 698 N MET A 46 10.981 5.124 -17.049 1.00 0.00 N ATOM 699 CA MET A 46 11.692 6.298 -17.534 1.00 0.00 C ATOM 700 C MET A 46 12.287 6.044 -18.912 1.00 0.00 C ATOM 701 O MET A 46 12.381 6.959 -19.729 1.00 0.00 O ATOM 702 CB MET A 46 12.791 6.664 -16.541 1.00 0.00 C ATOM 703 CG MET A 46 13.460 7.999 -16.876 1.00 0.00 C ATOM 704 SD MET A 46 12.462 9.496 -16.618 1.00 0.00 S ATOM 705 CE MET A 46 11.533 9.624 -18.170 1.00 0.00 C ATOM 0 H MET A 46 11.317 4.761 -16.157 1.00 0.00 H new ATOM 0 HA MET A 46 10.989 7.126 -17.623 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.368 6.714 -15.538 1.00 0.00 H new ATOM 0 HB3 MET A 46 13.544 5.876 -16.530 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.366 8.086 -16.276 1.00 0.00 H new ATOM 0 HG3 MET A 46 13.770 7.972 -17.921 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.278 10.667 -18.356 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.143 9.247 -18.991 1.00 0.00 H new ATOM 0 HE3 MET A 46 10.619 9.035 -18.097 1.00 0.00 H new ATOM 715 N ALA A 47 12.684 4.797 -19.179 1.00 0.00 N ATOM 716 CA ALA A 47 13.211 4.426 -20.475 1.00 0.00 C ATOM 717 C ALA A 47 12.103 4.415 -21.522 1.00 0.00 C ATOM 718 O ALA A 47 12.346 4.793 -22.665 1.00 0.00 O ATOM 719 CB ALA A 47 13.841 3.043 -20.362 1.00 0.00 C ATOM 0 H ALA A 47 12.646 4.032 -18.506 1.00 0.00 H new ATOM 0 HA ALA A 47 13.960 5.154 -20.788 1.00 0.00 H new ATOM 0 HB1 ALA A 47 14.244 2.747 -21.330 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.645 3.069 -19.627 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.085 2.323 -20.048 1.00 0.00 H new ATOM 725 N LEU A 48 10.889 3.993 -21.153 1.00 0.00 N ATOM 726 CA LEU A 48 9.775 3.951 -22.090 1.00 0.00 C ATOM 727 C LEU A 48 9.367 5.358 -22.512 1.00 0.00 C ATOM 728 O LEU A 48 8.749 5.516 -23.558 1.00 0.00 O ATOM 729 CB LEU A 48 8.594 3.197 -21.473 1.00 0.00 C ATOM 730 CG LEU A 48 8.889 1.707 -21.308 1.00 0.00 C ATOM 731 CD1 LEU A 48 7.790 1.077 -20.458 1.00 0.00 C ATOM 732 CD2 LEU A 48 8.944 0.971 -22.646 1.00 0.00 C ATOM 0 H LEU A 48 10.659 3.677 -20.211 1.00 0.00 H new ATOM 0 HA LEU A 48 10.094 3.417 -22.985 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.356 3.629 -20.501 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.714 3.325 -22.103 1.00 0.00 H new ATOM 0 HG LEU A 48 9.866 1.617 -20.833 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.991 0.013 -20.334 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.765 1.558 -19.480 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.827 1.209 -20.952 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.157 -0.084 -22.473 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.985 1.069 -23.155 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.730 1.402 -23.266 1.00 0.00 H new ATOM 744 N ILE A 49 9.697 6.393 -21.734 1.00 0.00 N ATOM 745 CA ILE A 49 9.470 7.759 -22.185 1.00 0.00 C ATOM 746 C ILE A 49 10.522 8.104 -23.229 1.00 0.00 C ATOM 747 O ILE A 49 10.201 8.603 -24.305 1.00 0.00 O ATOM 748 CB ILE A 49 9.583 8.729 -21.001 1.00 0.00 C ATOM 749 CG1 ILE A 49 8.268 8.836 -20.229 1.00 0.00 C ATOM 750 CG2 ILE A 49 9.977 10.129 -21.483 1.00 0.00 C ATOM 751 CD1 ILE A 49 8.063 7.642 -19.300 1.00 0.00 C ATOM 0 H ILE A 49 10.114 6.310 -20.807 1.00 0.00 H new ATOM 0 HA ILE A 49 8.471 7.845 -22.613 1.00 0.00 H new ATOM 0 HB ILE A 49 10.352 8.329 -20.340 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.262 9.757 -19.646 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.437 8.898 -20.932 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.051 10.801 -20.628 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.940 10.081 -21.992 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.220 10.503 -22.173 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.118 7.753 -18.768 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.043 6.724 -19.887 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.881 7.596 -18.581 1.00 0.00 H new ATOM 763 N LYS A 50 11.786 7.833 -22.902 1.00 0.00 N ATOM 764 CA LYS A 50 12.902 8.039 -23.792 1.00 0.00 C ATOM 765 C LYS A 50 12.818 7.175 -25.057 1.00 0.00 C ATOM 766 O LYS A 50 13.559 7.416 -26.008 1.00 0.00 O ATOM 767 CB LYS A 50 14.163 7.763 -22.987 1.00 0.00 C ATOM 768 CG LYS A 50 15.008 9.026 -22.916 1.00 0.00 C ATOM 769 CD LYS A 50 14.332 10.100 -22.067 1.00 0.00 C ATOM 770 CE LYS A 50 14.391 9.715 -20.590 1.00 0.00 C ATOM 771 NZ LYS A 50 14.177 10.899 -19.734 1.00 0.00 N ATOM 0 H LYS A 50 12.055 7.458 -21.992 1.00 0.00 H new ATOM 0 HA LYS A 50 12.902 9.064 -24.164 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.900 7.432 -21.982 1.00 0.00 H new ATOM 0 HB3 LYS A 50 14.733 6.957 -23.449 1.00 0.00 H new ATOM 0 HG2 LYS A 50 15.985 8.789 -22.495 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.178 9.409 -23.922 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.825 11.060 -22.221 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.294 10.221 -22.378 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.633 8.962 -20.375 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.358 9.267 -20.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.221 10.617 -18.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.916 11.605 -19.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.244 11.310 -19.937 1.00 0.00 H new ATOM 785 N LEU A 51 11.925 6.174 -25.081 1.00 0.00 N ATOM 786 CA LEU A 51 11.655 5.360 -26.253 1.00 0.00 C ATOM 787 C LEU A 51 10.345 5.829 -26.892 1.00 0.00 C ATOM 788 O LEU A 51 10.119 5.633 -28.086 1.00 0.00 O ATOM 789 CB LEU A 51 11.500 3.904 -25.806 1.00 0.00 C ATOM 790 CG LEU A 51 12.796 3.261 -25.306 1.00 0.00 C ATOM 791 CD1 LEU A 51 12.459 1.943 -24.608 1.00 0.00 C ATOM 792 CD2 LEU A 51 13.757 2.967 -26.452 1.00 0.00 C ATOM 0 H LEU A 51 11.367 5.911 -24.269 1.00 0.00 H new ATOM 0 HA LEU A 51 12.469 5.449 -26.973 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.754 3.856 -25.013 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.115 3.318 -26.641 1.00 0.00 H new ATOM 0 HG LEU A 51 13.277 3.960 -24.621 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.376 1.477 -24.248 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.796 2.137 -23.765 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.965 1.274 -25.313 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.665 2.511 -26.057 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.284 2.283 -27.157 1.00 0.00 H new ATOM 0 HD23 LEU A 51 14.010 3.896 -26.962 1.00 0.00 H new ATOM 804 N GLY A 52 9.493 6.448 -26.074 1.00 0.00 N ATOM 805 CA GLY A 52 8.206 7.014 -26.451 1.00 0.00 C ATOM 806 C GLY A 52 7.090 5.973 -26.407 1.00 0.00 C ATOM 807 O GLY A 52 6.016 6.179 -26.971 1.00 0.00 O ATOM 0 H GLY A 52 9.696 6.572 -25.082 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.961 7.837 -25.780 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.273 7.431 -27.456 1.00 0.00 H new ATOM 811 N GLU A 53 7.348 4.851 -25.733 1.00 0.00 N ATOM 812 CA GLU A 53 6.369 3.808 -25.453 1.00 0.00 C ATOM 813 C GLU A 53 5.666 4.121 -24.153 1.00 0.00 C ATOM 814 O GLU A 53 5.295 3.245 -23.374 1.00 0.00 O ATOM 815 CB GLU A 53 7.048 2.441 -25.429 1.00 0.00 C ATOM 816 CG GLU A 53 8.109 2.326 -26.521 1.00 0.00 C ATOM 817 CD GLU A 53 8.547 0.878 -26.730 1.00 0.00 C ATOM 818 OE1 GLU A 53 7.805 0.142 -27.418 1.00 0.00 O ATOM 819 OE2 GLU A 53 9.620 0.517 -26.195 1.00 0.00 O ATOM 0 H GLU A 53 8.272 4.640 -25.357 1.00 0.00 H new ATOM 0 HA GLU A 53 5.618 3.777 -26.242 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.508 2.279 -24.454 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.300 1.659 -25.563 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.715 2.726 -27.455 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.974 2.933 -26.254 1.00 0.00 H new ATOM 826 N TYR A 54 5.499 5.423 -23.959 1.00 0.00 N ATOM 827 CA TYR A 54 4.673 6.029 -22.948 1.00 0.00 C ATOM 828 C TYR A 54 3.441 5.191 -22.612 1.00 0.00 C ATOM 829 O TYR A 54 3.110 5.046 -21.442 1.00 0.00 O ATOM 830 CB TYR A 54 4.142 7.278 -23.599 1.00 0.00 C ATOM 831 CG TYR A 54 5.096 8.273 -24.193 1.00 0.00 C ATOM 832 CD1 TYR A 54 6.252 8.666 -23.516 1.00 0.00 C ATOM 833 CD2 TYR A 54 4.807 8.784 -25.465 1.00 0.00 C ATOM 834 CE1 TYR A 54 7.139 9.565 -24.125 1.00 0.00 C ATOM 835 CE2 TYR A 54 5.716 9.648 -26.095 1.00 0.00 C ATOM 836 CZ TYR A 54 6.881 10.052 -25.419 1.00 0.00 C ATOM 837 OH TYR A 54 7.757 10.910 -26.015 1.00 0.00 O ATOM 0 H TYR A 54 5.968 6.116 -24.542 1.00 0.00 H new ATOM 0 HA TYR A 54 5.256 6.168 -22.037 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.461 6.967 -24.391 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.545 7.804 -22.854 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.462 8.280 -22.529 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.886 8.513 -25.960 1.00 0.00 H new ATOM 0 HE1 TYR A 54 8.025 9.885 -23.598 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.521 10.002 -27.097 1.00 0.00 H new ATOM 0 HH TYR A 54 7.427 11.147 -26.907 1.00 0.00 H new ATOM 847 N THR A 55 2.754 4.638 -23.622 1.00 0.00 N ATOM 848 CA THR A 55 1.519 3.882 -23.411 1.00 0.00 C ATOM 849 C THR A 55 1.727 2.841 -22.328 1.00 0.00 C ATOM 850 O THR A 55 0.847 2.560 -21.518 1.00 0.00 O ATOM 851 CB THR A 55 1.101 3.182 -24.699 1.00 0.00 C ATOM 852 OG1 THR A 55 1.173 4.068 -25.793 1.00 0.00 O ATOM 853 CG2 THR A 55 -0.332 2.684 -24.535 1.00 0.00 C ATOM 0 H THR A 55 3.039 4.703 -24.599 1.00 0.00 H new ATOM 0 HA THR A 55 0.737 4.578 -23.107 1.00 0.00 H new ATOM 0 HB THR A 55 1.774 2.347 -24.892 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.903 3.601 -26.611 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.649 2.180 -25.448 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.381 1.986 -23.699 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.991 3.530 -24.340 1.00 0.00 H new ATOM 861 N GLN A 56 2.931 2.279 -22.341 1.00 0.00 N ATOM 862 CA GLN A 56 3.385 1.276 -21.396 1.00 0.00 C ATOM 863 C GLN A 56 3.923 1.934 -20.130 1.00 0.00 C ATOM 864 O GLN A 56 3.671 1.462 -19.025 1.00 0.00 O ATOM 865 CB GLN A 56 4.491 0.457 -22.065 1.00 0.00 C ATOM 866 CG GLN A 56 4.056 -0.096 -23.423 1.00 0.00 C ATOM 867 CD GLN A 56 2.792 -0.929 -23.324 1.00 0.00 C ATOM 868 OE1 GLN A 56 1.644 -0.275 -23.453 1.00 0.00 O flip ATOM 869 NE2 GLN A 56 2.842 -2.141 -23.132 1.00 0.00 N flip ATOM 0 H GLN A 56 3.638 2.520 -23.035 1.00 0.00 H new ATOM 0 HA GLN A 56 2.551 0.633 -21.114 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.375 1.081 -22.195 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.776 -0.368 -21.412 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.891 0.731 -24.114 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.859 -0.705 -23.840 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.745 -2.606 -23.038 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.980 -2.683 -23.066 1.00 0.00 H new ATOM 878 N ALA A 57 4.664 3.029 -20.295 1.00 0.00 N ATOM 879 CA ALA A 57 5.234 3.785 -19.194 1.00 0.00 C ATOM 880 C ALA A 57 4.166 4.256 -18.210 1.00 0.00 C ATOM 881 O ALA A 57 4.375 4.218 -16.999 1.00 0.00 O ATOM 882 CB ALA A 57 5.928 5.009 -19.785 1.00 0.00 C ATOM 0 H ALA A 57 4.885 3.417 -21.212 1.00 0.00 H new ATOM 0 HA ALA A 57 5.927 3.144 -18.649 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.368 5.601 -18.982 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.712 4.687 -20.471 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.200 5.615 -20.325 1.00 0.00 H new ATOM 888 N ILE A 58 3.024 4.701 -18.735 1.00 0.00 N ATOM 889 CA ILE A 58 1.907 5.193 -17.943 1.00 0.00 C ATOM 890 C ILE A 58 1.445 4.099 -16.993 1.00 0.00 C ATOM 891 O ILE A 58 1.054 4.389 -15.863 1.00 0.00 O ATOM 892 CB ILE A 58 0.783 5.594 -18.908 1.00 0.00 C ATOM 893 CG1 ILE A 58 1.232 6.734 -19.823 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.485 6.038 -18.177 1.00 0.00 C ATOM 895 CD1 ILE A 58 0.488 6.642 -21.156 1.00 0.00 C ATOM 0 H ILE A 58 2.851 4.728 -19.740 1.00 0.00 H new ATOM 0 HA ILE A 58 2.199 6.058 -17.347 1.00 0.00 H new ATOM 0 HB ILE A 58 0.556 4.703 -19.493 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.033 7.695 -19.349 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.308 6.678 -19.990 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.248 6.311 -18.906 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.852 5.221 -17.556 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.260 6.899 -17.548 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.808 7.455 -21.808 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.710 5.686 -21.631 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.585 6.719 -20.980 1.00 0.00 H new ATOM 907 N GLN A 59 1.491 2.839 -17.446 1.00 0.00 N ATOM 908 CA GLN A 59 1.085 1.710 -16.637 1.00 0.00 C ATOM 909 C GLN A 59 2.124 1.394 -15.568 1.00 0.00 C ATOM 910 O GLN A 59 1.772 1.006 -14.460 1.00 0.00 O ATOM 911 CB GLN A 59 0.916 0.501 -17.549 1.00 0.00 C ATOM 912 CG GLN A 59 -0.049 0.738 -18.702 1.00 0.00 C ATOM 913 CD GLN A 59 -1.296 1.469 -18.247 1.00 0.00 C ATOM 914 OE1 GLN A 59 -2.017 1.015 -17.361 1.00 0.00 O ATOM 915 NE2 GLN A 59 -1.555 2.615 -18.858 1.00 0.00 N ATOM 0 H GLN A 59 1.811 2.587 -18.381 1.00 0.00 H new ATOM 0 HA GLN A 59 0.148 1.953 -16.135 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.889 0.222 -17.952 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.562 -0.343 -16.957 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.449 1.317 -19.480 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.329 -0.218 -19.145 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.930 2.956 -19.589 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.379 3.157 -18.598 1.00 0.00 H new ATOM 924 N MET A 60 3.408 1.563 -15.900 1.00 0.00 N ATOM 925 CA MET A 60 4.504 1.299 -14.969 1.00 0.00 C ATOM 926 C MET A 60 4.513 2.314 -13.832 1.00 0.00 C ATOM 927 O MET A 60 4.709 1.947 -12.675 1.00 0.00 O ATOM 928 CB MET A 60 5.842 1.398 -15.700 1.00 0.00 C ATOM 929 CG MET A 60 6.041 0.418 -16.854 1.00 0.00 C ATOM 930 SD MET A 60 5.805 -1.334 -16.464 1.00 0.00 S ATOM 931 CE MET A 60 4.071 -1.472 -16.960 1.00 0.00 C ATOM 0 H MET A 60 3.713 1.885 -16.818 1.00 0.00 H new ATOM 0 HA MET A 60 4.359 0.298 -14.563 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.950 2.412 -16.086 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.643 1.246 -14.976 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.352 0.687 -17.654 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.050 0.549 -17.245 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.830 -2.517 -17.155 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.433 -1.096 -16.160 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.903 -0.886 -17.864 1.00 0.00 H new ATOM 941 N CYS A 61 4.303 3.595 -14.139 1.00 0.00 N ATOM 942 CA CYS A 61 4.414 4.639 -13.134 1.00 0.00 C ATOM 943 C CYS A 61 3.303 4.490 -12.095 1.00 0.00 C ATOM 944 O CYS A 61 3.567 4.405 -10.900 1.00 0.00 O ATOM 945 CB CYS A 61 4.352 5.992 -13.835 1.00 0.00 C ATOM 946 SG CYS A 61 5.792 6.146 -14.917 1.00 0.00 S ATOM 0 H CYS A 61 4.057 3.928 -15.071 1.00 0.00 H new ATOM 0 HA CYS A 61 5.363 4.559 -12.604 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.433 6.076 -14.414 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.342 6.798 -13.102 1.00 0.00 H new ATOM 0 HG CYS A 61 5.606 5.438 -15.991 1.00 0.00 H new ATOM 952 N GLN A 62 2.047 4.456 -12.533 1.00 0.00 N ATOM 953 CA GLN A 62 0.941 4.206 -11.620 1.00 0.00 C ATOM 954 C GLN A 62 1.087 2.894 -10.829 1.00 0.00 C ATOM 955 O GLN A 62 0.545 2.791 -9.730 1.00 0.00 O ATOM 956 CB GLN A 62 -0.389 4.293 -12.367 1.00 0.00 C ATOM 957 CG GLN A 62 -0.499 3.317 -13.535 1.00 0.00 C ATOM 958 CD GLN A 62 -1.425 2.158 -13.203 1.00 0.00 C ATOM 959 OE1 GLN A 62 -0.886 1.128 -12.560 1.00 0.00 O flip ATOM 960 NE2 GLN A 62 -2.610 2.180 -13.516 1.00 0.00 N flip ATOM 0 H GLN A 62 1.774 4.597 -13.505 1.00 0.00 H new ATOM 0 HA GLN A 62 0.961 4.990 -10.863 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.202 4.102 -11.667 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.521 5.309 -12.740 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.871 3.841 -14.415 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.490 2.934 -13.786 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.992 2.987 -14.009 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.214 1.392 -13.283 1.00 0.00 H new ATOM 969 N GLN A 63 1.804 1.891 -11.355 1.00 0.00 N ATOM 970 CA GLN A 63 2.150 0.687 -10.612 1.00 0.00 C ATOM 971 C GLN A 63 3.133 1.009 -9.498 1.00 0.00 C ATOM 972 O GLN A 63 2.925 0.566 -8.377 1.00 0.00 O ATOM 973 CB GLN A 63 2.807 -0.300 -11.577 1.00 0.00 C ATOM 974 CG GLN A 63 2.097 -1.650 -11.635 1.00 0.00 C ATOM 975 CD GLN A 63 0.666 -1.536 -12.132 1.00 0.00 C ATOM 976 OE1 GLN A 63 -0.261 -1.397 -11.340 1.00 0.00 O ATOM 977 NE2 GLN A 63 0.467 -1.599 -13.445 1.00 0.00 N ATOM 0 H GLN A 63 2.158 1.899 -12.312 1.00 0.00 H new ATOM 0 HA GLN A 63 1.247 0.264 -10.172 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.825 0.136 -12.576 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.844 -0.455 -11.278 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.653 -2.321 -12.290 1.00 0.00 H new ATOM 0 HG3 GLN A 63 2.098 -2.100 -10.642 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.260 -1.715 -14.076 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.479 -1.531 -13.821 1.00 0.00 H new ATOM 986 N GLY A 64 4.198 1.771 -9.771 1.00 0.00 N ATOM 987 CA GLY A 64 5.152 2.143 -8.741 1.00 0.00 C ATOM 988 C GLY A 64 4.471 2.658 -7.465 1.00 0.00 C ATOM 989 O GLY A 64 4.949 2.393 -6.368 1.00 0.00 O ATOM 0 H GLY A 64 4.414 2.138 -10.698 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.771 1.280 -8.495 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.818 2.913 -9.129 1.00 0.00 H new ATOM 993 N LEU A 65 3.354 3.387 -7.601 1.00 0.00 N ATOM 994 CA LEU A 65 2.637 3.994 -6.478 1.00 0.00 C ATOM 995 C LEU A 65 1.965 2.965 -5.569 1.00 0.00 C ATOM 996 O LEU A 65 1.402 3.323 -4.535 1.00 0.00 O ATOM 997 CB LEU A 65 1.570 4.948 -7.020 1.00 0.00 C ATOM 998 CG LEU A 65 2.229 6.112 -7.760 1.00 0.00 C ATOM 999 CD1 LEU A 65 1.174 6.839 -8.579 1.00 0.00 C ATOM 1000 CD2 LEU A 65 2.877 7.088 -6.772 1.00 0.00 C ATOM 0 H LEU A 65 2.921 3.572 -8.506 1.00 0.00 H new ATOM 0 HA LEU A 65 3.376 4.524 -5.877 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.901 4.412 -7.693 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.961 5.327 -6.200 1.00 0.00 H new ATOM 0 HG LEU A 65 3.008 5.720 -8.414 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.636 7.671 -9.110 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.733 6.149 -9.298 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.396 7.218 -7.916 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.340 7.908 -7.321 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.116 7.485 -6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.637 6.566 -6.191 1.00 0.00 H new ATOM 1012 N ARG A 66 2.020 1.687 -5.946 1.00 0.00 N ATOM 1013 CA ARG A 66 1.424 0.596 -5.200 1.00 0.00 C ATOM 1014 C ARG A 66 2.417 0.110 -4.161 1.00 0.00 C ATOM 1015 O ARG A 66 2.072 -0.607 -3.221 1.00 0.00 O ATOM 1016 CB ARG A 66 1.167 -0.496 -6.225 1.00 0.00 C ATOM 1017 CG ARG A 66 0.129 -0.015 -7.229 1.00 0.00 C ATOM 1018 CD ARG A 66 -0.129 -1.129 -8.229 1.00 0.00 C ATOM 1019 NE ARG A 66 -0.829 -2.263 -7.610 1.00 0.00 N ATOM 1020 CZ ARG A 66 -1.440 -3.237 -8.291 1.00 0.00 C ATOM 1021 NH1 ARG A 66 -1.456 -3.238 -9.619 1.00 0.00 N ATOM 1022 NH2 ARG A 66 -2.042 -4.221 -7.635 1.00 0.00 N ATOM 0 H ARG A 66 2.492 1.383 -6.798 1.00 0.00 H new ATOM 0 HA ARG A 66 0.509 0.888 -4.685 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.093 -0.753 -6.738 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.816 -1.401 -5.728 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.795 0.256 -6.718 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.484 0.879 -7.742 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.722 -0.744 -9.058 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.818 -1.470 -8.646 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.850 -2.310 -6.591 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.997 -2.487 -10.135 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.927 -3.989 -10.123 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.037 -4.232 -6.615 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.510 -4.966 -8.151 1.00 0.00 H new ATOM 1036 N TYR A 67 3.663 0.525 -4.366 1.00 0.00 N ATOM 1037 CA TYR A 67 4.822 0.125 -3.596 1.00 0.00 C ATOM 1038 C TYR A 67 5.466 1.270 -2.811 1.00 0.00 C ATOM 1039 O TYR A 67 6.372 1.026 -2.019 1.00 0.00 O ATOM 1040 CB TYR A 67 5.780 -0.459 -4.627 1.00 0.00 C ATOM 1041 CG TYR A 67 5.100 -1.543 -5.431 1.00 0.00 C ATOM 1042 CD1 TYR A 67 4.965 -2.846 -4.931 1.00 0.00 C ATOM 1043 CD2 TYR A 67 4.566 -1.218 -6.680 1.00 0.00 C ATOM 1044 CE1 TYR A 67 4.299 -3.823 -5.687 1.00 0.00 C ATOM 1045 CE2 TYR A 67 3.899 -2.179 -7.445 1.00 0.00 C ATOM 1046 CZ TYR A 67 3.762 -3.492 -6.951 1.00 0.00 C ATOM 1047 OH TYR A 67 3.108 -4.438 -7.681 1.00 0.00 O ATOM 0 H TYR A 67 3.897 1.181 -5.111 1.00 0.00 H new ATOM 0 HA TYR A 67 4.545 -0.589 -2.821 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.131 0.329 -5.293 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.658 -0.867 -4.126 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.374 -3.098 -3.964 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.670 -0.212 -7.059 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.197 -4.827 -5.303 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.491 -1.917 -8.410 1.00 0.00 H new ATOM 0 HH TYR A 67 2.600 -4.004 -8.398 1.00 0.00 H new ATOM 1057 N THR A 68 5.015 2.515 -3.008 1.00 0.00 N ATOM 1058 CA THR A 68 5.565 3.677 -2.312 1.00 0.00 C ATOM 1059 C THR A 68 4.930 3.877 -0.936 1.00 0.00 C ATOM 1060 O THR A 68 4.889 4.996 -0.429 1.00 0.00 O ATOM 1061 CB THR A 68 5.407 4.936 -3.165 1.00 0.00 C ATOM 1062 OG1 THR A 68 4.063 5.089 -3.566 1.00 0.00 O ATOM 1063 CG2 THR A 68 6.291 4.854 -4.402 1.00 0.00 C ATOM 0 H THR A 68 4.259 2.741 -3.654 1.00 0.00 H new ATOM 0 HA THR A 68 6.627 3.488 -2.153 1.00 0.00 H new ATOM 0 HB THR A 68 5.707 5.794 -2.564 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.763 6.000 -3.365 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.167 5.758 -4.999 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.334 4.760 -4.098 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.006 3.985 -4.996 1.00 0.00 H new ATOM 1071 N SER A 69 4.432 2.795 -0.330 1.00 0.00 N ATOM 1072 CA SER A 69 3.785 2.811 0.979 1.00 0.00 C ATOM 1073 C SER A 69 4.723 3.204 2.126 1.00 0.00 C ATOM 1074 O SER A 69 4.310 3.183 3.288 1.00 0.00 O ATOM 1075 CB SER A 69 3.223 1.422 1.263 1.00 0.00 C ATOM 1076 OG SER A 69 2.223 1.105 0.316 1.00 0.00 O ATOM 0 H SER A 69 4.470 1.865 -0.747 1.00 0.00 H new ATOM 0 HA SER A 69 3.003 3.569 0.936 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.022 0.682 1.223 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.807 1.387 2.270 1.00 0.00 H new ATOM 0 HG SER A 69 1.867 0.211 0.503 1.00 0.00 H new ATOM 1082 N THR A 70 5.971 3.557 1.820 1.00 0.00 N ATOM 1083 CA THR A 70 6.986 3.876 2.818 1.00 0.00 C ATOM 1084 C THR A 70 7.855 5.049 2.370 1.00 0.00 C ATOM 1085 O THR A 70 7.978 5.331 1.178 1.00 0.00 O ATOM 1086 CB THR A 70 7.825 2.624 3.084 1.00 0.00 C ATOM 1087 OG1 THR A 70 8.904 2.947 3.930 1.00 0.00 O ATOM 1088 CG2 THR A 70 8.371 2.032 1.782 1.00 0.00 C ATOM 0 H THR A 70 6.308 3.630 0.860 1.00 0.00 H new ATOM 0 HA THR A 70 6.501 4.185 3.744 1.00 0.00 H new ATOM 0 HB THR A 70 7.181 1.884 3.559 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.438 2.143 4.100 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.962 1.144 2.006 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.541 1.760 1.130 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.999 2.770 1.282 1.00 0.00 H new ATOM 1096 N ALA A 71 8.469 5.748 3.337 1.00 0.00 N ATOM 1097 CA ALA A 71 9.248 6.954 3.090 1.00 0.00 C ATOM 1098 C ALA A 71 10.620 6.681 2.474 1.00 0.00 C ATOM 1099 O ALA A 71 11.331 7.628 2.144 1.00 0.00 O ATOM 1100 CB ALA A 71 9.395 7.727 4.399 1.00 0.00 C ATOM 0 H ALA A 71 8.433 5.482 4.321 1.00 0.00 H new ATOM 0 HA ALA A 71 8.705 7.546 2.353 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.977 8.632 4.224 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.408 7.997 4.775 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.905 7.104 5.134 1.00 0.00 H new ATOM 1106 N GLU A 72 11.019 5.419 2.303 1.00 0.00 N ATOM 1107 CA GLU A 72 12.211 5.121 1.519 1.00 0.00 C ATOM 1108 C GLU A 72 11.891 5.203 0.030 1.00 0.00 C ATOM 1109 O GLU A 72 12.801 5.233 -0.796 1.00 0.00 O ATOM 1110 CB GLU A 72 12.725 3.724 1.866 1.00 0.00 C ATOM 1111 CG GLU A 72 11.667 2.654 1.644 1.00 0.00 C ATOM 1112 CD GLU A 72 12.147 1.293 2.143 1.00 0.00 C ATOM 1113 OE1 GLU A 72 12.866 0.615 1.375 1.00 0.00 O ATOM 1114 OE2 GLU A 72 11.791 0.938 3.289 1.00 0.00 O ATOM 0 H GLU A 72 10.543 4.604 2.690 1.00 0.00 H new ATOM 0 HA GLU A 72 12.983 5.853 1.755 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.601 3.499 1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.047 3.705 2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.750 2.932 2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.426 2.591 0.583 1.00 0.00 H new ATOM 1121 N HIS A 73 10.598 5.241 -0.298 1.00 0.00 N ATOM 1122 CA HIS A 73 10.109 5.233 -1.666 1.00 0.00 C ATOM 1123 C HIS A 73 9.350 6.519 -1.991 1.00 0.00 C ATOM 1124 O HIS A 73 8.666 6.598 -3.009 1.00 0.00 O ATOM 1125 CB HIS A 73 9.228 3.999 -1.892 1.00 0.00 C ATOM 1126 CG HIS A 73 9.959 2.681 -1.898 1.00 0.00 C ATOM 1127 ND1 HIS A 73 9.356 1.426 -1.988 1.00 0.00 N ATOM 1128 CD2 HIS A 73 11.313 2.518 -1.838 1.00 0.00 C ATOM 1129 CE1 HIS A 73 10.364 0.538 -1.981 1.00 0.00 C ATOM 1130 NE2 HIS A 73 11.551 1.165 -1.893 1.00 0.00 N ATOM 0 H HIS A 73 9.853 5.279 0.397 1.00 0.00 H new ATOM 0 HA HIS A 73 10.963 5.184 -2.342 1.00 0.00 H new ATOM 0 HB2 HIS A 73 8.465 3.970 -1.114 1.00 0.00 H new ATOM 0 HB3 HIS A 73 8.709 4.113 -2.844 1.00 0.00 H new ATOM 0 HD1 HIS A 73 8.358 1.225 -2.047 1.00 0.00 H new ATOM 0 HD2 HIS A 73 12.054 3.300 -1.762 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.239 -0.533 -2.038 1.00 0.00 H new ATOM 1138 N VAL A 74 9.453 7.540 -1.138 1.00 0.00 N ATOM 1139 CA VAL A 74 8.878 8.842 -1.445 1.00 0.00 C ATOM 1140 C VAL A 74 9.616 9.483 -2.618 1.00 0.00 C ATOM 1141 O VAL A 74 9.029 10.227 -3.402 1.00 0.00 O ATOM 1142 CB VAL A 74 8.958 9.730 -0.207 1.00 0.00 C ATOM 1143 CG1 VAL A 74 10.402 9.970 0.238 1.00 0.00 C ATOM 1144 CG2 VAL A 74 8.339 11.086 -0.522 1.00 0.00 C ATOM 0 H VAL A 74 9.927 7.487 -0.236 1.00 0.00 H new ATOM 0 HA VAL A 74 7.833 8.721 -1.730 1.00 0.00 H new ATOM 0 HB VAL A 74 8.424 9.218 0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.409 10.607 1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.873 9.016 0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 74 10.954 10.458 -0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.394 11.725 0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.884 11.553 -1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.296 10.952 -0.809 1.00 0.00 H new ATOM 1154 N ALA A 75 10.911 9.183 -2.736 1.00 0.00 N ATOM 1155 CA ALA A 75 11.763 9.662 -3.812 1.00 0.00 C ATOM 1156 C ALA A 75 11.157 9.314 -5.160 1.00 0.00 C ATOM 1157 O ALA A 75 11.088 10.122 -6.080 1.00 0.00 O ATOM 1158 CB ALA A 75 13.080 8.906 -3.710 1.00 0.00 C ATOM 0 H ALA A 75 11.401 8.587 -2.069 1.00 0.00 H new ATOM 0 HA ALA A 75 11.886 10.742 -3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.752 9.236 -4.502 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.538 9.103 -2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.895 7.837 -3.814 1.00 0.00 H new ATOM 1164 N ILE A 76 10.722 8.061 -5.219 1.00 0.00 N ATOM 1165 CA ILE A 76 10.134 7.383 -6.341 1.00 0.00 C ATOM 1166 C ILE A 76 8.718 7.856 -6.592 1.00 0.00 C ATOM 1167 O ILE A 76 8.297 8.000 -7.736 1.00 0.00 O ATOM 1168 CB ILE A 76 10.098 5.944 -5.864 1.00 0.00 C ATOM 1169 CG1 ILE A 76 11.474 5.329 -6.049 1.00 0.00 C ATOM 1170 CG2 ILE A 76 8.979 5.135 -6.494 1.00 0.00 C ATOM 1171 CD1 ILE A 76 11.536 4.554 -7.350 1.00 0.00 C ATOM 0 H ILE A 76 10.783 7.450 -4.405 1.00 0.00 H new ATOM 0 HA ILE A 76 10.683 7.547 -7.268 1.00 0.00 H new ATOM 0 HB ILE A 76 9.858 5.930 -4.801 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.232 6.112 -6.048 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.699 4.667 -5.213 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.008 4.115 -6.111 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.019 5.588 -6.247 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.106 5.120 -7.577 1.00 0.00 H new ATOM 0 HD11 ILE A 76 12.529 4.119 -7.468 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.791 3.758 -7.335 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.333 5.226 -8.184 1.00 0.00 H new ATOM 1183 N ARG A 77 7.982 8.098 -5.507 1.00 0.00 N ATOM 1184 CA ARG A 77 6.610 8.567 -5.612 1.00 0.00 C ATOM 1185 C ARG A 77 6.577 9.864 -6.407 1.00 0.00 C ATOM 1186 O ARG A 77 5.606 10.163 -7.095 1.00 0.00 O ATOM 1187 CB ARG A 77 6.041 8.776 -4.214 1.00 0.00 C ATOM 1188 CG ARG A 77 4.524 8.894 -4.283 1.00 0.00 C ATOM 1189 CD ARG A 77 4.065 9.610 -3.021 1.00 0.00 C ATOM 1190 NE ARG A 77 2.599 9.722 -2.971 1.00 0.00 N ATOM 1191 CZ ARG A 77 1.782 8.799 -2.453 1.00 0.00 C ATOM 1192 NH1 ARG A 77 2.264 7.668 -1.944 1.00 0.00 N ATOM 1193 NH2 ARG A 77 0.468 9.007 -2.443 1.00 0.00 N ATOM 0 H ARG A 77 8.316 7.976 -4.551 1.00 0.00 H new ATOM 0 HA ARG A 77 6.001 7.827 -6.131 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.321 7.942 -3.570 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.465 9.677 -3.771 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.222 9.450 -5.171 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.065 7.908 -4.353 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.420 9.069 -2.144 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.509 10.605 -2.983 1.00 0.00 H new ATOM 0 HE ARG A 77 2.175 10.565 -3.360 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.269 7.496 -1.945 1.00 0.00 H new ATOM 0 HH12 ARG A 77 1.628 6.973 -1.552 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.085 9.870 -2.830 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.157 8.304 -2.048 1.00 0.00 H new ATOM 1207 N SER A 78 7.658 10.634 -6.301 1.00 0.00 N ATOM 1208 CA SER A 78 7.850 11.867 -7.038 1.00 0.00 C ATOM 1209 C SER A 78 8.099 11.594 -8.520 1.00 0.00 C ATOM 1210 O SER A 78 7.802 12.439 -9.363 1.00 0.00 O ATOM 1211 CB SER A 78 9.065 12.573 -6.433 1.00 0.00 C ATOM 1212 OG SER A 78 9.155 13.897 -6.908 1.00 0.00 O ATOM 0 H SER A 78 8.438 10.407 -5.685 1.00 0.00 H new ATOM 0 HA SER A 78 6.954 12.484 -6.966 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.987 12.575 -5.346 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.974 12.027 -6.687 1.00 0.00 H new ATOM 0 HG SER A 78 9.936 14.335 -6.510 1.00 0.00 H new ATOM 1218 N LYS A 79 8.645 10.415 -8.852 1.00 0.00 N ATOM 1219 CA LYS A 79 8.967 10.075 -10.229 1.00 0.00 C ATOM 1220 C LYS A 79 7.766 9.448 -10.919 1.00 0.00 C ATOM 1221 O LYS A 79 7.513 9.727 -12.085 1.00 0.00 O ATOM 1222 CB LYS A 79 10.149 9.106 -10.229 1.00 0.00 C ATOM 1223 CG LYS A 79 11.311 9.707 -9.443 1.00 0.00 C ATOM 1224 CD LYS A 79 12.515 8.767 -9.413 1.00 0.00 C ATOM 1225 CE LYS A 79 13.590 9.484 -8.604 1.00 0.00 C ATOM 1226 NZ LYS A 79 14.836 8.703 -8.531 1.00 0.00 N ATOM 0 H LYS A 79 8.870 9.684 -8.177 1.00 0.00 H new ATOM 0 HA LYS A 79 9.232 10.979 -10.777 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.852 8.155 -9.786 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.460 8.897 -11.253 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.601 10.657 -9.891 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.990 9.920 -8.424 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.254 7.813 -8.955 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.866 8.550 -10.422 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.796 10.455 -9.055 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.220 9.673 -7.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.358 8.962 -7.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.609 7.688 -8.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.423 8.906 -9.365 1.00 0.00 H new ATOM 1240 N LEU A 80 7.018 8.608 -10.205 1.00 0.00 N ATOM 1241 CA LEU A 80 5.844 7.925 -10.737 1.00 0.00 C ATOM 1242 C LEU A 80 4.756 8.914 -11.148 1.00 0.00 C ATOM 1243 O LEU A 80 3.767 8.517 -11.746 1.00 0.00 O ATOM 1244 CB LEU A 80 5.291 7.009 -9.652 1.00 0.00 C ATOM 1245 CG LEU A 80 6.044 5.689 -9.466 1.00 0.00 C ATOM 1246 CD1 LEU A 80 7.431 5.597 -10.086 1.00 0.00 C ATOM 1247 CD2 LEU A 80 6.109 5.397 -7.975 1.00 0.00 C ATOM 0 H LEU A 80 7.214 8.381 -9.230 1.00 0.00 H new ATOM 0 HA LEU A 80 6.140 7.361 -11.621 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.298 7.549 -8.705 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.250 6.785 -9.884 1.00 0.00 H new ATOM 0 HG LEU A 80 5.477 4.941 -10.020 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.856 4.614 -9.883 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.359 5.746 -11.163 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.073 6.366 -9.656 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.641 4.460 -7.811 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.634 6.207 -7.468 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.098 5.315 -7.576 1.00 0.00 H new ATOM 1259 N GLN A 81 4.938 10.191 -10.827 1.00 0.00 N ATOM 1260 CA GLN A 81 4.071 11.291 -11.174 1.00 0.00 C ATOM 1261 C GLN A 81 4.638 12.179 -12.281 1.00 0.00 C ATOM 1262 O GLN A 81 3.877 12.878 -12.943 1.00 0.00 O ATOM 1263 CB GLN A 81 4.017 12.083 -9.874 1.00 0.00 C ATOM 1264 CG GLN A 81 2.843 11.716 -8.994 1.00 0.00 C ATOM 1265 CD GLN A 81 2.483 10.247 -9.010 1.00 0.00 C ATOM 1266 OE1 GLN A 81 1.484 9.848 -9.594 1.00 0.00 O ATOM 1267 NE2 GLN A 81 3.308 9.440 -8.362 1.00 0.00 N ATOM 0 H GLN A 81 5.747 10.495 -10.285 1.00 0.00 H new ATOM 0 HA GLN A 81 3.110 10.943 -11.553 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.941 11.920 -9.320 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.968 13.147 -10.107 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.067 12.011 -7.969 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.974 12.294 -9.309 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.128 9.821 -7.890 1.00 0.00 H new ATOM 0 HE22 GLN A 81 3.124 8.437 -8.334 1.00 0.00 H new ATOM 1276 N TYR A 82 5.958 12.170 -12.497 1.00 0.00 N ATOM 1277 CA TYR A 82 6.600 13.006 -13.507 1.00 0.00 C ATOM 1278 C TYR A 82 6.437 12.427 -14.902 1.00 0.00 C ATOM 1279 O TYR A 82 5.762 12.995 -15.753 1.00 0.00 O ATOM 1280 CB TYR A 82 8.093 13.078 -13.206 1.00 0.00 C ATOM 1281 CG TYR A 82 8.963 13.362 -14.416 1.00 0.00 C ATOM 1282 CD1 TYR A 82 8.801 14.546 -15.152 1.00 0.00 C ATOM 1283 CD2 TYR A 82 9.933 12.424 -14.801 1.00 0.00 C ATOM 1284 CE1 TYR A 82 9.648 14.818 -16.237 1.00 0.00 C ATOM 1285 CE2 TYR A 82 10.819 12.711 -15.855 1.00 0.00 C ATOM 1286 CZ TYR A 82 10.670 13.910 -16.580 1.00 0.00 C ATOM 1287 OH TYR A 82 11.509 14.188 -17.618 1.00 0.00 O ATOM 0 H TYR A 82 6.608 11.582 -11.975 1.00 0.00 H new ATOM 0 HA TYR A 82 6.131 13.990 -13.476 1.00 0.00 H new ATOM 0 HB2 TYR A 82 8.264 13.855 -12.460 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.408 12.134 -12.761 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.025 15.247 -14.883 1.00 0.00 H new ATOM 0 HD2 TYR A 82 10.000 11.477 -14.286 1.00 0.00 H new ATOM 0 HE1 TYR A 82 9.517 15.724 -16.810 1.00 0.00 H new ATOM 0 HE2 TYR A 82 11.608 12.017 -16.107 1.00 0.00 H new ATOM 0 HH TYR A 82 12.156 13.459 -17.720 1.00 0.00 H new ATOM 1297 N ARG A 83 7.069 11.280 -15.140 1.00 0.00 N ATOM 1298 CA ARG A 83 7.095 10.670 -16.459 1.00 0.00 C ATOM 1299 C ARG A 83 5.757 9.989 -16.724 1.00 0.00 C ATOM 1300 O ARG A 83 5.523 9.462 -17.803 1.00 0.00 O ATOM 1301 CB ARG A 83 8.337 9.782 -16.597 1.00 0.00 C ATOM 1302 CG ARG A 83 8.287 8.477 -15.808 1.00 0.00 C ATOM 1303 CD ARG A 83 8.838 8.657 -14.396 1.00 0.00 C ATOM 1304 NE ARG A 83 10.308 8.647 -14.363 1.00 0.00 N ATOM 1305 CZ ARG A 83 11.029 7.893 -13.528 1.00 0.00 C ATOM 1306 NH1 ARG A 83 10.440 7.002 -12.734 1.00 0.00 N ATOM 1307 NH2 ARG A 83 12.350 8.023 -13.476 1.00 0.00 N ATOM 0 H ARG A 83 7.573 10.753 -14.427 1.00 0.00 H new ATOM 0 HA ARG A 83 7.200 11.414 -17.249 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.481 9.546 -17.651 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.209 10.351 -16.275 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.258 8.121 -15.756 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.863 7.713 -16.330 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.474 9.598 -13.984 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.457 7.861 -13.756 1.00 0.00 H new ATOM 0 HE ARG A 83 10.807 9.251 -15.016 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.427 6.888 -12.758 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.002 6.433 -12.101 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.820 8.701 -14.076 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.895 7.444 -12.836 1.00 0.00 H new ATOM 1321 N LEU A 84 4.886 10.016 -15.712 1.00 0.00 N ATOM 1322 CA LEU A 84 3.497 9.612 -15.829 1.00 0.00 C ATOM 1323 C LEU A 84 2.669 10.732 -16.445 1.00 0.00 C ATOM 1324 O LEU A 84 1.649 10.457 -17.070 1.00 0.00 O ATOM 1325 CB LEU A 84 2.959 9.311 -14.425 1.00 0.00 C ATOM 1326 CG LEU A 84 1.449 9.074 -14.353 1.00 0.00 C ATOM 1327 CD1 LEU A 84 0.991 7.925 -15.251 1.00 0.00 C ATOM 1328 CD2 LEU A 84 1.081 8.792 -12.897 1.00 0.00 C ATOM 0 H LEU A 84 5.139 10.326 -14.774 1.00 0.00 H new ATOM 0 HA LEU A 84 3.430 8.731 -16.467 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.470 8.430 -14.037 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.214 10.142 -13.768 1.00 0.00 H new ATOM 0 HG LEU A 84 0.939 9.966 -14.716 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.088 7.801 -15.161 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.245 8.149 -16.287 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.489 7.004 -14.946 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.008 8.619 -12.820 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.616 7.908 -12.551 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.356 9.647 -12.280 1.00 0.00 H new ATOM 1340 N GLU A 85 3.088 11.988 -16.278 1.00 0.00 N ATOM 1341 CA GLU A 85 2.285 13.121 -16.708 1.00 0.00 C ATOM 1342 C GLU A 85 2.588 13.542 -18.140 1.00 0.00 C ATOM 1343 O GLU A 85 1.819 14.298 -18.732 1.00 0.00 O ATOM 1344 CB GLU A 85 2.481 14.278 -15.727 1.00 0.00 C ATOM 1345 CG GLU A 85 3.553 15.270 -16.172 1.00 0.00 C ATOM 1346 CD GLU A 85 3.623 16.464 -15.222 1.00 0.00 C ATOM 1347 OE1 GLU A 85 2.797 17.392 -15.398 1.00 0.00 O ATOM 1348 OE2 GLU A 85 4.499 16.448 -14.326 1.00 0.00 O ATOM 0 H GLU A 85 3.978 12.240 -15.848 1.00 0.00 H new ATOM 0 HA GLU A 85 1.238 12.819 -16.704 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.535 14.806 -15.605 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.750 13.876 -14.750 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.522 14.772 -16.208 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.336 15.617 -17.182 1.00 0.00 H new ATOM 1355 N LEU A 86 3.701 13.069 -18.707 1.00 0.00 N ATOM 1356 CA LEU A 86 4.120 13.495 -20.031 1.00 0.00 C ATOM 1357 C LEU A 86 3.904 12.389 -21.055 1.00 0.00 C ATOM 1358 O LEU A 86 3.557 12.664 -22.201 1.00 0.00 O ATOM 1359 CB LEU A 86 5.581 13.949 -19.966 1.00 0.00 C ATOM 1360 CG LEU A 86 6.609 12.812 -19.963 1.00 0.00 C ATOM 1361 CD1 LEU A 86 6.961 12.406 -21.398 1.00 0.00 C ATOM 1362 CD2 LEU A 86 7.894 13.287 -19.280 1.00 0.00 C ATOM 0 H LEU A 86 4.323 12.392 -18.265 1.00 0.00 H new ATOM 0 HA LEU A 86 3.510 14.337 -20.359 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.783 14.600 -20.817 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.721 14.548 -19.066 1.00 0.00 H new ATOM 0 HG LEU A 86 6.179 11.963 -19.432 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.692 11.598 -21.379 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.061 12.069 -21.912 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.381 13.262 -21.926 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.625 12.479 -19.278 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.300 14.141 -19.822 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.674 13.580 -18.253 1.00 0.00 H new ATOM 1374 N ALA A 87 4.111 11.138 -20.635 1.00 0.00 N ATOM 1375 CA ALA A 87 3.910 9.962 -21.435 1.00 0.00 C ATOM 1376 C ALA A 87 2.496 9.969 -22.003 1.00 0.00 C ATOM 1377 O ALA A 87 2.330 10.054 -23.210 1.00 0.00 O ATOM 1378 CB ALA A 87 4.162 8.765 -20.514 1.00 0.00 C ATOM 0 H ALA A 87 4.435 10.926 -19.691 1.00 0.00 H new ATOM 0 HA ALA A 87 4.587 9.917 -22.288 1.00 0.00 H new ATOM 0 HB1 ALA A 87 4.022 7.840 -21.073 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.182 8.808 -20.132 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.461 8.794 -19.680 1.00 0.00 H new ATOM 1384 N GLN A 88 1.471 9.887 -21.148 1.00 0.00 N ATOM 1385 CA GLN A 88 0.093 9.894 -21.611 1.00 0.00 C ATOM 1386 C GLN A 88 -0.272 11.187 -22.332 1.00 0.00 C ATOM 1387 O GLN A 88 -1.249 11.232 -23.076 1.00 0.00 O ATOM 1388 CB GLN A 88 -0.869 9.668 -20.457 1.00 0.00 C ATOM 1389 CG GLN A 88 -0.645 10.621 -19.290 1.00 0.00 C ATOM 1390 CD GLN A 88 -1.617 10.320 -18.157 1.00 0.00 C ATOM 1391 OE1 GLN A 88 -2.833 10.333 -18.343 1.00 0.00 O ATOM 1392 NE2 GLN A 88 -1.092 10.040 -16.968 1.00 0.00 N ATOM 0 H GLN A 88 1.576 9.815 -20.136 1.00 0.00 H new ATOM 0 HA GLN A 88 0.004 9.075 -22.325 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.891 9.781 -20.818 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.767 8.642 -20.104 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.380 10.530 -18.931 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.775 11.650 -19.624 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.079 10.037 -16.845 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.702 9.828 -16.178 1.00 0.00 H new ATOM 1401 N GLY A 89 0.515 12.236 -22.109 1.00 0.00 N ATOM 1402 CA GLY A 89 0.330 13.524 -22.755 1.00 0.00 C ATOM 1403 C GLY A 89 1.015 13.540 -24.119 1.00 0.00 C ATOM 1404 O GLY A 89 1.063 14.575 -24.783 1.00 0.00 O ATOM 0 H GLY A 89 1.307 12.211 -21.467 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.734 13.729 -22.873 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.739 14.315 -22.126 1.00 0.00 H new ATOM 1408 N ALA A 90 1.544 12.383 -24.530 1.00 0.00 N ATOM 1409 CA ALA A 90 2.178 12.175 -25.823 1.00 0.00 C ATOM 1410 C ALA A 90 1.639 10.898 -26.482 1.00 0.00 C ATOM 1411 O ALA A 90 2.071 10.529 -27.573 1.00 0.00 O ATOM 1412 CB ALA A 90 3.683 12.058 -25.612 1.00 0.00 C ATOM 0 H ALA A 90 1.539 11.544 -23.950 1.00 0.00 H new ATOM 0 HA ALA A 90 1.958 13.017 -26.480 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.174 11.902 -26.573 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.059 12.974 -25.157 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.894 11.214 -24.955 1.00 0.00 H new ATOM 1418 N VAL A 91 0.691 10.225 -25.820 1.00 0.00 N ATOM 1419 CA VAL A 91 0.164 8.931 -26.236 1.00 0.00 C ATOM 1420 C VAL A 91 -1.214 9.025 -26.853 1.00 0.00 C ATOM 1421 O VAL A 91 -1.947 9.993 -26.657 1.00 0.00 O ATOM 1422 CB VAL A 91 0.164 8.035 -25.013 1.00 0.00 C ATOM 1423 CG1 VAL A 91 -0.435 6.636 -25.047 1.00 0.00 C ATOM 1424 CG2 VAL A 91 1.588 7.677 -24.814 1.00 0.00 C ATOM 0 H VAL A 91 0.263 10.576 -24.963 1.00 0.00 H new ATOM 0 HA VAL A 91 0.796 8.518 -27.023 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.418 8.619 -24.300 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.329 6.171 -24.067 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.492 6.699 -25.306 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.086 6.035 -25.792 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.681 7.026 -23.945 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.960 7.158 -25.698 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.172 8.583 -24.653 1.00 0.00 H new ATOM 1434 N GLY A 92 -1.550 7.984 -27.612 1.00 0.00 N ATOM 1435 CA GLY A 92 -2.813 7.884 -28.309 1.00 0.00 C ATOM 1436 C GLY A 92 -2.783 8.651 -29.633 1.00 0.00 C ATOM 1437 O GLY A 92 -3.734 8.575 -30.409 1.00 0.00 O ATOM 0 H GLY A 92 -0.939 7.180 -27.757 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.043 6.836 -28.499 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -3.611 8.276 -27.678 1.00 0.00 H new ATOM 1441 N SER A 93 -1.696 9.389 -29.888 1.00 0.00 N ATOM 1442 CA SER A 93 -1.496 10.128 -31.128 1.00 0.00 C ATOM 1443 C SER A 93 -1.373 9.180 -32.324 1.00 0.00 C ATOM 1444 O SER A 93 -1.349 7.961 -32.161 1.00 0.00 O ATOM 1445 CB SER A 93 -0.233 10.981 -31.000 1.00 0.00 C ATOM 1446 OG SER A 93 -0.349 11.852 -29.894 1.00 0.00 O ATOM 0 H SER A 93 -0.925 9.487 -29.228 1.00 0.00 H new ATOM 0 HA SER A 93 -2.361 10.768 -31.301 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.639 10.338 -30.878 1.00 0.00 H new ATOM 0 HB3 SER A 93 -0.079 11.557 -31.913 1.00 0.00 H new ATOM 0 HG SER A 93 0.464 12.394 -29.817 1.00 0.00 H new ATOM 1452 N VAL A 94 -1.289 9.758 -33.528 1.00 0.00 N ATOM 1453 CA VAL A 94 -1.189 9.031 -34.789 1.00 0.00 C ATOM 1454 C VAL A 94 -2.265 7.958 -34.872 1.00 0.00 C ATOM 1455 O VAL A 94 -2.018 6.768 -34.680 1.00 0.00 O ATOM 1456 CB VAL A 94 0.234 8.509 -34.990 1.00 0.00 C ATOM 1457 CG1 VAL A 94 0.390 7.889 -36.380 1.00 0.00 C ATOM 1458 CG2 VAL A 94 1.221 9.670 -34.872 1.00 0.00 C ATOM 0 H VAL A 94 -1.289 10.771 -33.650 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.380 9.706 -35.624 1.00 0.00 H new ATOM 0 HB VAL A 94 0.433 7.753 -34.230 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.410 7.524 -36.503 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.308 7.059 -36.489 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.180 8.642 -37.140 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.236 9.300 -35.015 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.996 10.417 -35.633 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.135 10.122 -33.884 1.00 0.00 H new ATOM 1468 N GLN A 95 -3.485 8.412 -35.163 1.00 0.00 N ATOM 1469 CA GLN A 95 -4.687 7.593 -35.134 1.00 0.00 C ATOM 1470 C GLN A 95 -5.460 7.682 -36.453 1.00 0.00 C ATOM 1471 O GLN A 95 -6.578 7.181 -36.553 1.00 0.00 O ATOM 1472 CB GLN A 95 -5.537 8.040 -33.942 1.00 0.00 C ATOM 1473 CG GLN A 95 -5.981 9.498 -34.105 1.00 0.00 C ATOM 1474 CD GLN A 95 -6.377 10.104 -32.769 1.00 0.00 C ATOM 1475 OE1 GLN A 95 -7.524 10.005 -32.341 1.00 0.00 O ATOM 1476 NE2 GLN A 95 -5.417 10.742 -32.101 1.00 0.00 N ATOM 0 H GLN A 95 -3.664 9.380 -35.430 1.00 0.00 H new ATOM 0 HA GLN A 95 -4.418 6.543 -35.016 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -6.412 7.397 -33.852 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.965 7.930 -33.021 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.172 10.080 -34.546 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -6.823 9.550 -34.795 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.477 10.801 -32.492 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -5.622 11.171 -31.199 1.00 0.00 H new ATOM 1485 N ILE A 96 -4.855 8.317 -37.460 1.00 0.00 N ATOM 1486 CA ILE A 96 -5.428 8.459 -38.791 1.00 0.00 C ATOM 1487 C ILE A 96 -4.330 8.460 -39.872 1.00 0.00 C ATOM 1488 O ILE A 96 -4.426 9.202 -40.849 1.00 0.00 O ATOM 1489 CB ILE A 96 -6.321 9.714 -38.804 1.00 0.00 C ATOM 1490 CG1 ILE A 96 -7.190 9.847 -40.066 1.00 0.00 C ATOM 1491 CG2 ILE A 96 -5.497 10.991 -38.609 1.00 0.00 C ATOM 1492 CD1 ILE A 96 -8.034 8.595 -40.310 1.00 0.00 C ATOM 0 H ILE A 96 -3.937 8.753 -37.366 1.00 0.00 H new ATOM 0 HA ILE A 96 -6.056 7.602 -39.035 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.001 9.585 -37.962 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.845 10.713 -39.967 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.551 10.028 -40.930 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.159 11.857 -38.623 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.978 10.947 -37.651 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.767 11.079 -39.413 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.633 8.730 -41.211 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.379 7.733 -40.436 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.693 8.428 -39.458 1.00 0.00 H new ATOM 1504 N PRO A 97 -3.266 7.646 -39.733 1.00 0.00 N ATOM 1505 CA PRO A 97 -2.155 7.639 -40.672 1.00 0.00 C ATOM 1506 C PRO A 97 -2.577 7.041 -42.014 1.00 0.00 C ATOM 1507 O PRO A 97 -3.649 6.449 -42.134 1.00 0.00 O ATOM 1508 CB PRO A 97 -1.082 6.765 -40.018 1.00 0.00 C ATOM 1509 CG PRO A 97 -1.898 5.789 -39.177 1.00 0.00 C ATOM 1510 CD PRO A 97 -3.045 6.663 -38.685 1.00 0.00 C ATOM 0 HA PRO A 97 -1.798 8.648 -40.877 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.475 6.248 -40.761 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.401 7.354 -39.404 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.255 4.944 -39.766 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -1.316 5.379 -38.351 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.942 6.070 -38.509 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -2.792 7.146 -37.741 1.00 0.00 H new ATOM 1518 N VAL A 98 -1.716 7.196 -43.028 1.00 0.00 N ATOM 1519 CA VAL A 98 -1.912 6.593 -44.341 1.00 0.00 C ATOM 1520 C VAL A 98 -1.576 5.102 -44.260 1.00 0.00 C ATOM 1521 O VAL A 98 -0.621 4.625 -44.872 1.00 0.00 O ATOM 1522 CB VAL A 98 -1.132 7.372 -45.409 1.00 0.00 C ATOM 1523 CG1 VAL A 98 0.388 7.304 -45.237 1.00 0.00 C ATOM 1524 CG2 VAL A 98 -1.515 6.878 -46.806 1.00 0.00 C ATOM 0 H VAL A 98 -0.861 7.747 -42.954 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.955 6.657 -44.653 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.412 8.418 -45.284 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.870 7.878 -46.029 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.663 7.720 -44.268 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.714 6.265 -45.292 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.956 7.438 -47.556 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.279 5.817 -46.894 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.583 7.027 -46.964 1.00 0.00 H new ATOM 1534 N VAL A 99 -2.376 4.363 -43.488 1.00 0.00 N ATOM 1535 CA VAL A 99 -2.238 2.946 -43.202 1.00 0.00 C ATOM 1536 C VAL A 99 -2.444 2.038 -44.420 1.00 0.00 C ATOM 1537 O VAL A 99 -2.804 0.869 -44.307 1.00 0.00 O ATOM 1538 CB VAL A 99 -3.192 2.650 -42.042 1.00 0.00 C ATOM 1539 CG1 VAL A 99 -4.636 2.488 -42.515 1.00 0.00 C ATOM 1540 CG2 VAL A 99 -2.721 1.436 -41.264 1.00 0.00 C ATOM 0 H VAL A 99 -3.186 4.770 -43.020 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.210 2.717 -42.920 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.178 3.510 -41.373 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.278 2.279 -41.659 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.965 3.407 -43.000 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.696 1.662 -43.224 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.411 1.240 -40.443 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.688 0.570 -41.925 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.725 1.624 -40.864 1.00 0.00 H new ATOM 1550 N GLU A 100 -2.201 2.608 -45.591 1.00 0.00 N ATOM 1551 CA GLU A 100 -2.300 1.988 -46.891 1.00 0.00 C ATOM 1552 C GLU A 100 -1.432 0.734 -46.981 1.00 0.00 C ATOM 1553 O GLU A 100 -0.371 0.642 -46.361 1.00 0.00 O ATOM 1554 CB GLU A 100 -1.855 3.040 -47.909 1.00 0.00 C ATOM 1555 CG GLU A 100 -1.770 2.462 -49.303 1.00 0.00 C ATOM 1556 CD GLU A 100 -1.652 3.555 -50.363 1.00 0.00 C ATOM 1557 OE1 GLU A 100 -0.510 3.989 -50.629 1.00 0.00 O ATOM 1558 OE2 GLU A 100 -2.711 3.950 -50.902 1.00 0.00 O ATOM 0 H GLU A 100 -1.910 3.583 -45.655 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.322 1.662 -47.085 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -2.557 3.874 -47.902 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.883 3.439 -47.620 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.909 1.797 -49.369 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -2.655 1.858 -49.501 1.00 0.00 H new ATOM 1565 N VAL A 101 -1.903 -0.233 -47.773 1.00 0.00 N ATOM 1566 CA VAL A 101 -1.196 -1.471 -48.066 1.00 0.00 C ATOM 1567 C VAL A 101 -1.395 -1.800 -49.541 1.00 0.00 C ATOM 1568 O VAL A 101 -2.517 -1.765 -50.042 1.00 0.00 O ATOM 1569 CB VAL A 101 -1.723 -2.611 -47.193 1.00 0.00 C ATOM 1570 CG1 VAL A 101 -0.901 -3.879 -47.417 1.00 0.00 C ATOM 1571 CG2 VAL A 101 -1.660 -2.246 -45.713 1.00 0.00 C ATOM 0 H VAL A 101 -2.809 -0.170 -48.237 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.135 -1.349 -47.850 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.761 -2.785 -47.477 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.289 -4.680 -46.788 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.967 -4.175 -48.464 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.141 -3.688 -47.159 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.041 -3.075 -45.117 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.627 -2.042 -45.432 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.267 -1.359 -45.531 1.00 0.00 H new ATOM 1581 N ASP A 102 -0.302 -2.119 -50.234 1.00 0.00 N ATOM 1582 CA ASP A 102 -0.331 -2.412 -51.661 1.00 0.00 C ATOM 1583 C ASP A 102 0.812 -3.363 -52.030 1.00 0.00 C ATOM 1584 O ASP A 102 1.314 -3.363 -53.152 1.00 0.00 O ATOM 1585 CB ASP A 102 -0.278 -1.089 -52.431 1.00 0.00 C ATOM 1586 CG ASP A 102 -0.426 -1.291 -53.941 1.00 0.00 C ATOM 1587 OD1 ASP A 102 -1.365 -2.020 -54.339 1.00 0.00 O ATOM 1588 OD2 ASP A 102 0.400 -0.717 -54.686 1.00 0.00 O ATOM 0 H ASP A 102 0.628 -2.181 -49.819 1.00 0.00 H new ATOM 0 HA ASP A 102 -1.254 -2.924 -51.933 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -1.071 -0.432 -52.075 1.00 0.00 H new ATOM 0 HB3 ASP A 102 0.668 -0.588 -52.224 1.00 0.00 H new ATOM 1593 N GLU A 103 1.222 -4.179 -51.058 1.00 0.00 N ATOM 1594 CA GLU A 103 2.300 -5.146 -51.209 1.00 0.00 C ATOM 1595 C GLU A 103 2.065 -6.330 -50.272 1.00 0.00 C ATOM 1596 O GLU A 103 0.957 -6.531 -49.770 1.00 0.00 O ATOM 1597 CB GLU A 103 3.639 -4.482 -50.861 1.00 0.00 C ATOM 1598 CG GLU A 103 4.795 -5.057 -51.674 1.00 0.00 C ATOM 1599 CD GLU A 103 6.111 -4.371 -51.310 1.00 0.00 C ATOM 1600 OE1 GLU A 103 6.745 -4.828 -50.335 1.00 0.00 O ATOM 1601 OE2 GLU A 103 6.473 -3.399 -52.008 1.00 0.00 O ATOM 0 H GLU A 103 0.804 -4.183 -50.128 1.00 0.00 H new ATOM 0 HA GLU A 103 2.324 -5.498 -52.240 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.568 -3.409 -51.041 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.843 -4.614 -49.798 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.876 -6.129 -51.491 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.596 -4.929 -52.738 1.00 0.00 H new ATOM 1608 N LEU A 104 3.121 -7.107 -50.044 1.00 0.00 N ATOM 1609 CA LEU A 104 3.173 -8.189 -49.083 1.00 0.00 C ATOM 1610 C LEU A 104 2.754 -7.749 -47.682 1.00 0.00 C ATOM 1611 O LEU A 104 2.589 -6.560 -47.405 1.00 0.00 O ATOM 1612 CB LEU A 104 4.625 -8.643 -49.008 1.00 0.00 C ATOM 1613 CG LEU A 104 5.039 -9.514 -50.180 1.00 0.00 C ATOM 1614 CD1 LEU A 104 6.516 -9.307 -50.503 1.00 0.00 C ATOM 1615 CD2 LEU A 104 4.864 -10.930 -49.654 1.00 0.00 C ATOM 0 H LEU A 104 3.999 -6.989 -50.550 1.00 0.00 H new ATOM 0 HA LEU A 104 2.489 -8.974 -49.406 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.272 -7.766 -48.968 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.779 -9.195 -48.081 1.00 0.00 H new ATOM 0 HG LEU A 104 4.464 -9.294 -51.079 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.796 -9.939 -51.346 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.689 -8.262 -50.760 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.119 -9.572 -49.634 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.139 -11.643 -50.431 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.504 -11.077 -48.784 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.823 -11.087 -49.370 1.00 0.00 H new ATOM 1627 N PRO A 105 2.586 -8.735 -46.793 1.00 0.00 N ATOM 1628 CA PRO A 105 2.360 -8.566 -45.371 1.00 0.00 C ATOM 1629 C PRO A 105 3.395 -7.652 -44.727 1.00 0.00 C ATOM 1630 O PRO A 105 4.473 -7.425 -45.278 1.00 0.00 O ATOM 1631 CB PRO A 105 2.441 -9.988 -44.810 1.00 0.00 C ATOM 1632 CG PRO A 105 1.937 -10.838 -45.969 1.00 0.00 C ATOM 1633 CD PRO A 105 2.622 -10.138 -47.133 1.00 0.00 C ATOM 0 HA PRO A 105 1.403 -8.086 -45.165 1.00 0.00 H new ATOM 0 HB2 PRO A 105 3.460 -10.254 -44.527 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.821 -10.108 -43.921 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.234 -11.883 -45.879 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.851 -10.822 -46.055 1.00 0.00 H new ATOM 0 HD2 PRO A 105 3.647 -10.489 -47.258 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.103 -10.331 -48.072 1.00 0.00 H new ATOM 1641 N GLU A 106 3.064 -7.125 -43.550 1.00 0.00 N ATOM 1642 CA GLU A 106 3.909 -6.180 -42.829 1.00 0.00 C ATOM 1643 C GLU A 106 5.078 -6.885 -42.132 1.00 0.00 C ATOM 1644 O GLU A 106 5.721 -6.315 -41.252 1.00 0.00 O ATOM 1645 CB GLU A 106 3.026 -5.406 -41.840 1.00 0.00 C ATOM 1646 CG GLU A 106 3.667 -4.103 -41.349 1.00 0.00 C ATOM 1647 CD GLU A 106 4.009 -3.161 -42.505 1.00 0.00 C ATOM 1648 OE1 GLU A 106 3.070 -2.514 -43.017 1.00 0.00 O ATOM 1649 OE2 GLU A 106 5.207 -3.096 -42.870 1.00 0.00 O ATOM 0 H GLU A 106 2.193 -7.345 -43.067 1.00 0.00 H new ATOM 0 HA GLU A 106 4.363 -5.480 -43.530 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.073 -5.177 -42.316 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.809 -6.042 -40.982 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.986 -3.601 -40.661 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.573 -4.333 -40.789 1.00 0.00 H new ATOM 1656 N GLY A 107 5.364 -8.133 -42.514 1.00 0.00 N ATOM 1657 CA GLY A 107 6.405 -8.911 -41.861 1.00 0.00 C ATOM 1658 C GLY A 107 6.642 -10.266 -42.524 1.00 0.00 C ATOM 1659 O GLY A 107 6.902 -11.245 -41.824 1.00 0.00 O ATOM 0 H GLY A 107 4.886 -8.620 -43.272 1.00 0.00 H new ATOM 0 HA2 GLY A 107 7.335 -8.342 -41.868 1.00 0.00 H new ATOM 0 HA3 GLY A 107 6.134 -9.066 -40.817 1.00 0.00 H new ATOM 1663 N TYR A 108 6.555 -10.338 -43.859 1.00 0.00 N ATOM 1664 CA TYR A 108 6.767 -11.552 -44.605 1.00 0.00 C ATOM 1665 C TYR A 108 8.121 -12.195 -44.331 1.00 0.00 C ATOM 1666 O TYR A 108 9.033 -11.569 -43.790 1.00 0.00 O ATOM 1667 CB TYR A 108 6.687 -11.150 -46.067 1.00 0.00 C ATOM 1668 CG TYR A 108 6.359 -12.270 -47.011 1.00 0.00 C ATOM 1669 CD1 TYR A 108 5.017 -12.630 -47.140 1.00 0.00 C ATOM 1670 CD2 TYR A 108 7.347 -12.903 -47.777 1.00 0.00 C ATOM 1671 CE1 TYR A 108 4.635 -13.536 -48.127 1.00 0.00 C ATOM 1672 CE2 TYR A 108 6.976 -13.876 -48.720 1.00 0.00 C ATOM 1673 CZ TYR A 108 5.611 -14.189 -48.910 1.00 0.00 C ATOM 1674 OH TYR A 108 5.239 -15.105 -49.847 1.00 0.00 O ATOM 0 H TYR A 108 6.331 -9.534 -44.445 1.00 0.00 H new ATOM 0 HA TYR A 108 6.022 -12.294 -44.318 1.00 0.00 H new ATOM 0 HB2 TYR A 108 5.933 -10.371 -46.174 1.00 0.00 H new ATOM 0 HB3 TYR A 108 7.641 -10.713 -46.362 1.00 0.00 H new ATOM 0 HD1 TYR A 108 4.277 -12.208 -46.477 1.00 0.00 H new ATOM 0 HD2 TYR A 108 8.387 -12.645 -47.643 1.00 0.00 H new ATOM 0 HE1 TYR A 108 3.588 -13.740 -48.294 1.00 0.00 H new ATOM 0 HE2 TYR A 108 7.733 -14.384 -49.299 1.00 0.00 H new ATOM 0 HH TYR A 108 6.036 -15.457 -50.295 1.00 0.00 H new ATOM 1684 N ASP A 109 8.240 -13.461 -44.724 1.00 0.00 N ATOM 1685 CA ASP A 109 9.495 -14.188 -44.687 1.00 0.00 C ATOM 1686 C ASP A 109 9.461 -15.289 -45.749 1.00 0.00 C ATOM 1687 O ASP A 109 8.388 -15.663 -46.224 1.00 0.00 O ATOM 1688 CB ASP A 109 9.713 -14.769 -43.284 1.00 0.00 C ATOM 1689 CG ASP A 109 11.111 -15.362 -43.105 1.00 0.00 C ATOM 1690 OD1 ASP A 109 12.027 -14.937 -43.845 1.00 0.00 O ATOM 1691 OD2 ASP A 109 11.254 -16.241 -42.225 1.00 0.00 O ATOM 0 H ASP A 109 7.458 -14.011 -45.079 1.00 0.00 H new ATOM 0 HA ASP A 109 10.328 -13.520 -44.905 1.00 0.00 H new ATOM 0 HB2 ASP A 109 9.557 -13.986 -42.542 1.00 0.00 H new ATOM 0 HB3 ASP A 109 8.968 -15.541 -43.095 1.00 0.00 H new ATOM 1696 N ARG A 110 10.631 -15.813 -46.127 1.00 0.00 N ATOM 1697 CA ARG A 110 10.751 -16.785 -47.204 1.00 0.00 C ATOM 1698 C ARG A 110 10.176 -18.157 -46.830 1.00 0.00 C ATOM 1699 O ARG A 110 10.074 -19.037 -47.683 1.00 0.00 O ATOM 1700 CB ARG A 110 12.225 -16.892 -47.605 1.00 0.00 C ATOM 1701 CG ARG A 110 12.370 -17.484 -49.007 1.00 0.00 C ATOM 1702 CD ARG A 110 13.846 -17.541 -49.393 1.00 0.00 C ATOM 1703 NE ARG A 110 14.017 -18.092 -50.744 1.00 0.00 N ATOM 1704 CZ ARG A 110 15.205 -18.272 -51.332 1.00 0.00 C ATOM 1705 NH1 ARG A 110 16.331 -17.949 -50.705 1.00 0.00 N ATOM 1706 NH2 ARG A 110 15.266 -18.779 -52.559 1.00 0.00 N ATOM 0 H ARG A 110 11.520 -15.571 -45.690 1.00 0.00 H new ATOM 0 HA ARG A 110 10.159 -16.437 -48.050 1.00 0.00 H new ATOM 0 HB2 ARG A 110 12.687 -15.905 -47.574 1.00 0.00 H new ATOM 0 HB3 ARG A 110 12.757 -17.516 -46.886 1.00 0.00 H new ATOM 0 HG2 ARG A 110 11.938 -18.484 -49.036 1.00 0.00 H new ATOM 0 HG3 ARG A 110 11.819 -16.878 -49.727 1.00 0.00 H new ATOM 0 HD2 ARG A 110 14.276 -16.540 -49.348 1.00 0.00 H new ATOM 0 HD3 ARG A 110 14.390 -18.155 -48.675 1.00 0.00 H new ATOM 0 HE ARG A 110 13.180 -18.353 -51.265 1.00 0.00 H new ATOM 0 HH11 ARG A 110 16.296 -17.558 -49.763 1.00 0.00 H new ATOM 0 HH12 ARG A 110 17.230 -18.092 -51.165 1.00 0.00 H new ATOM 0 HH21 ARG A 110 14.408 -19.030 -53.050 1.00 0.00 H new ATOM 0 HH22 ARG A 110 16.171 -18.917 -53.009 1.00 0.00 H new ATOM 1720 N SER A 111 9.799 -18.351 -45.564 1.00 0.00 N ATOM 1721 CA SER A 111 9.259 -19.618 -45.078 1.00 0.00 C ATOM 1722 C SER A 111 8.279 -19.401 -43.927 1.00 0.00 C ATOM 1723 O SER A 111 7.555 -20.369 -43.611 1.00 0.00 O ATOM 1724 CB SER A 111 10.406 -20.533 -44.650 1.00 0.00 C ATOM 1725 OG SER A 111 11.151 -19.927 -43.615 1.00 0.00 O ATOM 1726 OXT SER A 111 8.256 -18.278 -43.376 1.00 0.00 O ATOM 0 H SER A 111 9.861 -17.629 -44.846 1.00 0.00 H new ATOM 0 HA SER A 111 8.706 -20.093 -45.888 1.00 0.00 H new ATOM 0 HB2 SER A 111 10.010 -21.490 -44.311 1.00 0.00 H new ATOM 0 HB3 SER A 111 11.054 -20.739 -45.502 1.00 0.00 H new ATOM 0 HG SER A 111 11.882 -20.522 -43.347 1.00 0.00 H new TER 1732 SER A 111 ATOM 1733 N ALA B 701 18.826 17.168 -17.672 1.00 0.00 N ATOM 1734 CA ALA B 701 18.061 17.866 -16.623 1.00 0.00 C ATOM 1735 C ALA B 701 18.855 17.922 -15.318 1.00 0.00 C ATOM 1736 O ALA B 701 20.075 17.770 -15.322 1.00 0.00 O ATOM 1737 CB ALA B 701 16.694 17.203 -16.426 1.00 0.00 C ATOM 0 HA ALA B 701 17.888 18.894 -16.943 1.00 0.00 H new ATOM 0 HB1 ALA B 701 16.142 17.731 -15.648 1.00 0.00 H new ATOM 0 HB2 ALA B 701 16.133 17.243 -17.359 1.00 0.00 H new ATOM 0 HB3 ALA B 701 16.833 16.163 -16.130 1.00 0.00 H new ATOM 1745 N ASP B 702 18.159 18.144 -14.198 1.00 0.00 N ATOM 1746 CA ASP B 702 18.770 18.283 -12.884 1.00 0.00 C ATOM 1747 C ASP B 702 17.841 17.702 -11.812 1.00 0.00 C ATOM 1748 O ASP B 702 17.700 18.254 -10.722 1.00 0.00 O ATOM 1749 CB ASP B 702 19.074 19.760 -12.637 1.00 0.00 C ATOM 1750 CG ASP B 702 19.885 19.971 -11.361 1.00 0.00 C ATOM 1751 OD1 ASP B 702 20.849 19.203 -11.147 1.00 0.00 O ATOM 1752 OD2 ASP B 702 19.535 20.905 -10.603 1.00 0.00 O ATOM 0 H ASP B 702 17.143 18.232 -14.185 1.00 0.00 H new ATOM 0 HA ASP B 702 19.706 17.726 -12.837 1.00 0.00 H new ATOM 0 HB2 ASP B 702 19.624 20.164 -13.487 1.00 0.00 H new ATOM 0 HB3 ASP B 702 18.139 20.316 -12.569 1.00 0.00 H new ATOM 1757 N THR B 703 17.201 16.577 -12.140 1.00 0.00 N ATOM 1758 CA THR B 703 16.203 15.949 -11.283 1.00 0.00 C ATOM 1759 C THR B 703 16.446 14.452 -11.168 1.00 0.00 C ATOM 1760 O THR B 703 16.943 13.813 -12.094 1.00 0.00 O ATOM 1761 CB THR B 703 14.807 16.271 -11.811 1.00 0.00 C ATOM 1762 OG1 THR B 703 13.854 15.650 -10.983 1.00 0.00 O ATOM 1763 CG2 THR B 703 14.649 15.800 -13.254 1.00 0.00 C ATOM 0 H THR B 703 17.364 16.076 -13.014 1.00 0.00 H new ATOM 0 HA THR B 703 16.285 16.352 -10.274 1.00 0.00 H new ATOM 0 HB THR B 703 14.657 17.351 -11.798 1.00 0.00 H new ATOM 0 HG1 THR B 703 12.959 15.977 -11.212 1.00 0.00 H new ATOM 0 HG21 THR B 703 13.646 16.041 -13.608 1.00 0.00 H new ATOM 0 HG22 THR B 703 15.385 16.300 -13.883 1.00 0.00 H new ATOM 0 HG23 THR B 703 14.802 14.722 -13.304 1.00 0.00 H new ATOM 1771 N GLU B 704 16.085 13.894 -10.010 1.00 0.00 N ATOM 1772 CA GLU B 704 16.326 12.495 -9.685 1.00 0.00 C ATOM 1773 C GLU B 704 15.485 11.549 -10.544 1.00 0.00 C ATOM 1774 O GLU B 704 15.793 10.363 -10.636 1.00 0.00 O ATOM 1775 CB GLU B 704 16.070 12.265 -8.196 1.00 0.00 C ATOM 1776 CG GLU B 704 14.671 12.733 -7.792 1.00 0.00 C ATOM 1777 CD GLU B 704 14.400 12.423 -6.323 1.00 0.00 C ATOM 1778 OE1 GLU B 704 14.439 11.223 -5.974 1.00 0.00 O ATOM 1779 OE2 GLU B 704 14.152 13.385 -5.562 1.00 0.00 O ATOM 0 H GLU B 704 15.613 14.410 -9.267 1.00 0.00 H new ATOM 0 HA GLU B 704 17.368 12.269 -9.909 1.00 0.00 H new ATOM 0 HB2 GLU B 704 16.182 11.206 -7.965 1.00 0.00 H new ATOM 0 HB3 GLU B 704 16.818 12.799 -7.610 1.00 0.00 H new ATOM 0 HG2 GLU B 704 14.577 13.805 -7.966 1.00 0.00 H new ATOM 0 HG3 GLU B 704 13.924 12.242 -8.416 1.00 0.00 H new ATOM 1786 N MET B 705 14.421 12.051 -11.178 1.00 0.00 N ATOM 1787 CA MET B 705 13.656 11.248 -12.122 1.00 0.00 C ATOM 1788 C MET B 705 14.488 10.953 -13.363 1.00 0.00 C ATOM 1789 O MET B 705 14.134 10.075 -14.144 1.00 0.00 O ATOM 1790 CB MET B 705 12.359 11.927 -12.524 1.00 0.00 C ATOM 1791 CG MET B 705 12.548 13.413 -12.841 1.00 0.00 C ATOM 1792 SD MET B 705 11.111 14.454 -12.488 1.00 0.00 S ATOM 1793 CE MET B 705 10.612 13.697 -10.922 1.00 0.00 C ATOM 0 H MET B 705 14.076 13.003 -11.053 1.00 0.00 H new ATOM 0 HA MET B 705 13.404 10.313 -11.621 1.00 0.00 H new ATOM 0 HB2 MET B 705 11.944 11.423 -13.397 1.00 0.00 H new ATOM 0 HB3 MET B 705 11.632 11.820 -11.719 1.00 0.00 H new ATOM 0 HG2 MET B 705 13.398 13.786 -12.270 1.00 0.00 H new ATOM 0 HG3 MET B 705 12.803 13.515 -13.896 1.00 0.00 H new ATOM 0 HE1 MET B 705 10.026 14.411 -10.343 1.00 0.00 H new ATOM 0 HE2 MET B 705 10.010 12.811 -11.122 1.00 0.00 H new ATOM 0 HE3 MET B 705 11.499 13.412 -10.356 1.00 0.00 H new ATOM 1803 N GLU B 706 15.592 11.682 -13.546 1.00 0.00 N ATOM 1804 CA GLU B 706 16.478 11.469 -14.674 1.00 0.00 C ATOM 1805 C GLU B 706 17.731 10.717 -14.204 1.00 0.00 C ATOM 1806 O GLU B 706 18.759 10.712 -14.879 1.00 0.00 O ATOM 1807 CB GLU B 706 16.786 12.808 -15.339 1.00 0.00 C ATOM 1808 CG GLU B 706 17.091 12.587 -16.822 1.00 0.00 C ATOM 1809 CD GLU B 706 17.480 13.892 -17.510 1.00 0.00 C ATOM 1810 OE1 GLU B 706 18.551 14.440 -17.156 1.00 0.00 O ATOM 1811 OE2 GLU B 706 16.710 14.341 -18.389 1.00 0.00 O ATOM 0 H GLU B 706 15.888 12.429 -12.917 1.00 0.00 H new ATOM 0 HA GLU B 706 16.003 10.845 -15.431 1.00 0.00 H new ATOM 0 HB2 GLU B 706 15.938 13.484 -15.229 1.00 0.00 H new ATOM 0 HB3 GLU B 706 17.637 13.282 -14.849 1.00 0.00 H new ATOM 0 HG2 GLU B 706 17.900 11.864 -16.925 1.00 0.00 H new ATOM 0 HG3 GLU B 706 16.218 12.160 -17.315 1.00 0.00 H new ATOM 1818 N GLU B 707 17.633 10.077 -13.029 1.00 0.00 N ATOM 1819 CA GLU B 707 18.679 9.257 -12.432 1.00 0.00 C ATOM 1820 C GLU B 707 18.103 7.884 -12.079 1.00 0.00 C ATOM 1821 O GLU B 707 18.535 7.233 -11.131 1.00 0.00 O ATOM 1822 CB GLU B 707 19.277 9.964 -11.211 1.00 0.00 C ATOM 1823 CG GLU B 707 19.908 11.300 -11.607 1.00 0.00 C ATOM 1824 CD GLU B 707 20.628 11.934 -10.416 1.00 0.00 C ATOM 1825 OE1 GLU B 707 19.932 12.527 -9.560 1.00 0.00 O ATOM 1826 OE2 GLU B 707 21.875 11.821 -10.367 1.00 0.00 O ATOM 0 H GLU B 707 16.791 10.123 -12.455 1.00 0.00 H new ATOM 0 HA GLU B 707 19.491 9.111 -13.144 1.00 0.00 H new ATOM 0 HB2 GLU B 707 18.499 10.132 -10.466 1.00 0.00 H new ATOM 0 HB3 GLU B 707 20.029 9.325 -10.748 1.00 0.00 H new ATOM 0 HG2 GLU B 707 20.613 11.147 -12.424 1.00 0.00 H new ATOM 0 HG3 GLU B 707 19.137 11.977 -11.974 1.00 0.00 H new ATOM 1833 N VAL B 708 17.115 7.486 -12.885 1.00 0.00 N ATOM 1834 CA VAL B 708 16.427 6.197 -12.966 1.00 0.00 C ATOM 1835 C VAL B 708 15.741 5.653 -11.710 1.00 0.00 C ATOM 1836 O VAL B 708 14.562 5.315 -11.791 1.00 0.00 O ATOM 1837 CB VAL B 708 17.325 5.129 -13.601 1.00 0.00 C ATOM 1838 CG1 VAL B 708 18.165 5.717 -14.727 1.00 0.00 C ATOM 1839 CG2 VAL B 708 18.282 4.431 -12.645 1.00 0.00 C ATOM 0 H VAL B 708 16.736 8.135 -13.575 1.00 0.00 H new ATOM 0 HA VAL B 708 15.580 6.435 -13.609 1.00 0.00 H new ATOM 0 HB VAL B 708 16.616 4.384 -13.962 1.00 0.00 H new ATOM 0 HG11 VAL B 708 18.792 4.937 -15.159 1.00 0.00 H new ATOM 0 HG12 VAL B 708 17.509 6.123 -15.497 1.00 0.00 H new ATOM 0 HG13 VAL B 708 18.796 6.513 -14.332 1.00 0.00 H new ATOM 0 HG21 VAL B 708 18.871 3.695 -13.193 1.00 0.00 H new ATOM 0 HG22 VAL B 708 18.948 5.167 -12.195 1.00 0.00 H new ATOM 0 HG23 VAL B 708 17.713 3.930 -11.862 1.00 0.00 H new ATOM 1849 N ASP B 709 16.427 5.559 -10.570 1.00 0.00 N ATOM 1850 CA ASP B 709 15.859 4.931 -9.382 1.00 0.00 C ATOM 1851 C ASP B 709 15.706 5.935 -8.241 1.00 0.00 C ATOM 1852 O ASP B 709 14.563 6.082 -7.761 1.00 0.00 O ATOM 1853 CB ASP B 709 16.669 3.715 -8.919 1.00 0.00 C ATOM 1854 CG ASP B 709 18.123 4.034 -8.569 1.00 0.00 C ATOM 1855 OD1 ASP B 709 18.870 4.469 -9.470 1.00 0.00 O ATOM 1856 OD2 ASP B 709 18.477 3.835 -7.384 1.00 0.00 O ATOM 1857 OXT ASP B 709 16.727 6.549 -7.860 1.00 0.00 O ATOM 0 H ASP B 709 17.377 5.911 -10.447 1.00 0.00 H new ATOM 0 HA ASP B 709 14.869 4.575 -9.666 1.00 0.00 H new ATOM 0 HB2 ASP B 709 16.183 3.278 -8.046 1.00 0.00 H new ATOM 0 HB3 ASP B 709 16.652 2.959 -9.704 1.00 0.00 H new TER 1862 ASP B 709