USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 770 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 39 MET CE :methyl 169:sc= -1.13 (180deg=-1.38) USER MOD Set 1.2: B 34 HIS : no HD1:sc= -0.0121 K(o=-1.8,f=-2.4) USER MOD Set 1.3: B 39 MET CE :methyl 167:sc= -0.678 (180deg=-0.997) USER MOD Set 2.1: B 23 TYR OH : rot -58:sc= 1.32 USER MOD Set 2.2: B 27 GLN : amide:sc= 0.71 K(o=2,f=-1.8) USER MOD Set 3.1: B 6 SER OG : rot 180:sc= 0 USER MOD Set 3.2: B 8 GLN : amide:sc= -1.17 K(o=-1.2,f=-5.8!) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.123 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0217 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -1.23! C(o=-1.2!,f=-4!) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0442 USER MOD Single : A 11 SER OG : rot 180:sc= 0.167 USER MOD Single : A 17 MET CE :methyl -135:sc= -0.0349 (180deg=-0.377) USER MOD Single : A 18 SER OG : rot 180:sc= 0.00527 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -146:sc= -0.223 (180deg=-1.25!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 36 ASN : amide:sc= -0.288 K(o=-0.29,f=-5.7!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 1.3 K(o=1.3,f=-3.2!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 44:sc= 0.284 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ -137:sc= 0.128 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0.0357 USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 10 SER OG : rot 180:sc= 0.102 USER MOD Single : B 11 SER OG : rot 85:sc= 1.28 USER MOD Single : B 17 MET CE :methyl -173:sc= -0.313 (180deg=-0.411) USER MOD Single : B 18 SER OG : rot 180:sc= 0.00367 USER MOD Single : B 19 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.12) USER MOD Single : B 21 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 24 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : B 28 LYS NZ :NH3+ -105:sc= 0.205 (180deg=-2.35!) USER MOD Single : B 35 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : B 36 ASN : amide:sc= -0.19 K(o=-0.19,f=-8.5!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 ASN : amide:sc= 0.016 K(o=0.016,f=-6.1!) USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 51 SER OG : rot 180:sc= 0.0502 USER MOD Single : B 52 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.070 8.647 -7.815 1.00 0.00 N ATOM 2 CA GLY A 1 -18.243 8.450 -6.952 1.00 0.00 C ATOM 3 C GLY A 1 -19.002 9.757 -6.802 1.00 0.00 C ATOM 4 O GLY A 1 -18.470 10.827 -7.124 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.183 8.091 -8.687 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.982 9.655 -8.056 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.214 8.335 -7.314 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.895 7.688 -7.379 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.928 8.088 -5.973 1.00 0.00 H new ATOM 8 N SER A 2 -20.267 9.686 -6.380 1.00 0.00 N ATOM 9 CA SER A 2 -21.099 10.870 -6.190 1.00 0.00 C ATOM 10 C SER A 2 -20.565 11.747 -5.053 1.00 0.00 C ATOM 11 O SER A 2 -19.617 11.379 -4.363 1.00 0.00 O ATOM 12 CB SER A 2 -22.553 10.444 -5.940 1.00 0.00 C ATOM 13 OG SER A 2 -22.697 9.637 -4.781 1.00 0.00 O ATOM 0 H SER A 2 -20.739 8.808 -6.162 1.00 0.00 H new ATOM 0 HA SER A 2 -21.066 11.474 -7.097 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.175 11.333 -5.838 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.921 9.896 -6.807 1.00 0.00 H new ATOM 0 HG SER A 2 -23.640 9.395 -4.666 1.00 0.00 H new ATOM 19 N SER A 3 -21.164 12.921 -4.866 1.00 0.00 N ATOM 20 CA SER A 3 -20.806 13.862 -3.817 1.00 0.00 C ATOM 21 C SER A 3 -22.093 14.583 -3.395 1.00 0.00 C ATOM 22 O SER A 3 -23.193 14.047 -3.600 1.00 0.00 O ATOM 23 CB SER A 3 -19.659 14.767 -4.295 1.00 0.00 C ATOM 24 OG SER A 3 -20.066 15.716 -5.265 1.00 0.00 O ATOM 0 H SER A 3 -21.929 13.248 -5.456 1.00 0.00 H new ATOM 0 HA SER A 3 -20.407 13.378 -2.926 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.237 15.291 -3.438 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.865 14.147 -4.712 1.00 0.00 H new ATOM 0 HG SER A 3 -19.297 16.263 -5.530 1.00 0.00 H new ATOM 30 N GLY A 4 -21.987 15.741 -2.747 1.00 0.00 N ATOM 31 CA GLY A 4 -23.115 16.545 -2.309 1.00 0.00 C ATOM 32 C GLY A 4 -23.353 16.476 -0.810 1.00 0.00 C ATOM 33 O GLY A 4 -23.597 17.522 -0.213 1.00 0.00 O ATOM 0 H GLY A 4 -21.086 16.154 -2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.946 17.583 -2.596 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.014 16.212 -2.829 1.00 0.00 H new ATOM 37 N SER A 5 -23.265 15.292 -0.195 1.00 0.00 N ATOM 38 CA SER A 5 -23.488 15.145 1.242 1.00 0.00 C ATOM 39 C SER A 5 -22.605 14.046 1.834 1.00 0.00 C ATOM 40 O SER A 5 -21.809 14.313 2.736 1.00 0.00 O ATOM 41 CB SER A 5 -24.972 14.856 1.534 1.00 0.00 C ATOM 42 OG SER A 5 -25.851 15.609 0.714 1.00 0.00 O ATOM 0 H SER A 5 -23.040 14.420 -0.674 1.00 0.00 H new ATOM 0 HA SER A 5 -23.215 16.087 1.717 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.166 13.794 1.387 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.181 15.076 2.581 1.00 0.00 H new ATOM 0 HG SER A 5 -26.779 15.387 0.939 1.00 0.00 H new ATOM 48 N SER A 6 -22.746 12.806 1.356 1.00 0.00 N ATOM 49 CA SER A 6 -21.969 11.673 1.847 1.00 0.00 C ATOM 50 C SER A 6 -20.512 11.747 1.364 1.00 0.00 C ATOM 51 O SER A 6 -20.131 12.683 0.649 1.00 0.00 O ATOM 52 CB SER A 6 -22.664 10.368 1.431 1.00 0.00 C ATOM 53 OG SER A 6 -22.604 9.452 2.499 1.00 0.00 O ATOM 0 H SER A 6 -23.405 12.563 0.616 1.00 0.00 H new ATOM 0 HA SER A 6 -21.925 11.702 2.936 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.702 10.564 1.162 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.180 9.949 0.549 1.00 0.00 H new ATOM 0 HG SER A 6 -23.048 8.618 2.240 1.00 0.00 H new ATOM 59 N GLY A 7 -19.689 10.780 1.767 1.00 0.00 N ATOM 60 CA GLY A 7 -18.276 10.686 1.413 1.00 0.00 C ATOM 61 C GLY A 7 -17.437 9.925 2.440 1.00 0.00 C ATOM 62 O GLY A 7 -16.272 9.640 2.165 1.00 0.00 O ATOM 0 H GLY A 7 -19.999 10.016 2.368 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.185 10.194 0.445 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.871 11.691 1.299 1.00 0.00 H new ATOM 66 N GLN A 8 -18.009 9.598 3.603 1.00 0.00 N ATOM 67 CA GLN A 8 -17.377 8.868 4.695 1.00 0.00 C ATOM 68 C GLN A 8 -16.855 7.541 4.139 1.00 0.00 C ATOM 69 O GLN A 8 -17.520 6.904 3.320 1.00 0.00 O ATOM 70 CB GLN A 8 -18.392 8.651 5.833 1.00 0.00 C ATOM 71 CG GLN A 8 -18.780 9.941 6.582 1.00 0.00 C ATOM 72 CD GLN A 8 -19.439 11.006 5.696 1.00 0.00 C ATOM 73 OE1 GLN A 8 -20.364 10.718 4.937 1.00 0.00 O ATOM 74 NE2 GLN A 8 -18.924 12.224 5.696 1.00 0.00 N ATOM 0 H GLN A 8 -18.974 9.850 3.814 1.00 0.00 H new ATOM 0 HA GLN A 8 -16.542 9.432 5.110 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -19.293 8.198 5.420 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -17.976 7.940 6.547 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -19.462 9.686 7.393 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -17.886 10.366 7.039 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -18.158 12.454 6.329 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -19.293 12.934 5.063 1.00 0.00 H new ATOM 83 N LEU A 9 -15.688 7.096 4.611 1.00 0.00 N ATOM 84 CA LEU A 9 -15.092 5.862 4.109 1.00 0.00 C ATOM 85 C LEU A 9 -15.656 4.569 4.692 1.00 0.00 C ATOM 86 O LEU A 9 -15.353 3.522 4.129 1.00 0.00 O ATOM 87 CB LEU A 9 -13.558 5.878 4.256 1.00 0.00 C ATOM 88 CG LEU A 9 -12.787 6.964 3.474 1.00 0.00 C ATOM 89 CD1 LEU A 9 -13.355 7.224 2.080 1.00 0.00 C ATOM 90 CD2 LEU A 9 -12.682 8.282 4.249 1.00 0.00 C ATOM 0 H LEU A 9 -15.144 7.568 5.333 1.00 0.00 H new ATOM 0 HA LEU A 9 -15.371 5.851 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.321 5.991 5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.178 4.904 3.946 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.784 6.555 3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.767 7.997 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -13.314 6.306 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.390 7.554 2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.131 9.011 3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.682 8.664 4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.158 8.110 5.189 1.00 0.00 H new ATOM 102 N SER A 10 -16.418 4.580 5.789 1.00 0.00 N ATOM 103 CA SER A 10 -16.973 3.351 6.362 1.00 0.00 C ATOM 104 C SER A 10 -17.786 2.595 5.310 1.00 0.00 C ATOM 105 O SER A 10 -17.639 1.388 5.133 1.00 0.00 O ATOM 106 CB SER A 10 -17.771 3.677 7.634 1.00 0.00 C ATOM 107 OG SER A 10 -18.340 4.980 7.607 1.00 0.00 O ATOM 0 H SER A 10 -16.665 5.428 6.299 1.00 0.00 H new ATOM 0 HA SER A 10 -16.166 2.683 6.663 1.00 0.00 H new ATOM 0 HB2 SER A 10 -18.565 2.941 7.758 1.00 0.00 H new ATOM 0 HB3 SER A 10 -17.116 3.589 8.501 1.00 0.00 H new ATOM 0 HG SER A 10 -18.838 5.137 8.437 1.00 0.00 H new ATOM 113 N SER A 11 -18.645 3.310 4.601 1.00 0.00 N ATOM 114 CA SER A 11 -19.486 2.798 3.543 1.00 0.00 C ATOM 115 C SER A 11 -18.645 2.417 2.312 1.00 0.00 C ATOM 116 O SER A 11 -18.990 1.475 1.591 1.00 0.00 O ATOM 117 CB SER A 11 -20.545 3.864 3.261 1.00 0.00 C ATOM 118 OG SER A 11 -20.038 5.169 3.473 1.00 0.00 O ATOM 0 H SER A 11 -18.777 4.309 4.759 1.00 0.00 H new ATOM 0 HA SER A 11 -19.987 1.874 3.833 1.00 0.00 H new ATOM 0 HB2 SER A 11 -20.892 3.770 2.232 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.409 3.699 3.905 1.00 0.00 H new ATOM 0 HG SER A 11 -20.739 5.827 3.283 1.00 0.00 H new ATOM 124 N GLU A 12 -17.524 3.112 2.062 1.00 0.00 N ATOM 125 CA GLU A 12 -16.662 2.789 0.926 1.00 0.00 C ATOM 126 C GLU A 12 -16.015 1.414 1.121 1.00 0.00 C ATOM 127 O GLU A 12 -15.715 0.753 0.122 1.00 0.00 O ATOM 128 CB GLU A 12 -15.581 3.851 0.688 1.00 0.00 C ATOM 129 CG GLU A 12 -16.124 5.165 0.121 1.00 0.00 C ATOM 130 CD GLU A 12 -16.919 4.944 -1.168 1.00 0.00 C ATOM 131 OE1 GLU A 12 -16.393 4.303 -2.109 1.00 0.00 O ATOM 132 OE2 GLU A 12 -18.105 5.334 -1.230 1.00 0.00 O ATOM 0 H GLU A 12 -17.199 3.895 2.630 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.297 2.770 0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -15.071 4.055 1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.835 3.450 0.002 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.762 5.645 0.863 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -15.296 5.846 -0.075 1.00 0.00 H new ATOM 139 N ILE A 13 -15.819 0.978 2.374 1.00 0.00 N ATOM 140 CA ILE A 13 -15.243 -0.328 2.686 1.00 0.00 C ATOM 141 C ILE A 13 -16.264 -1.353 2.198 1.00 0.00 C ATOM 142 O ILE A 13 -15.889 -2.294 1.504 1.00 0.00 O ATOM 143 CB ILE A 13 -14.954 -0.479 4.199 1.00 0.00 C ATOM 144 CG1 ILE A 13 -13.901 0.533 4.694 1.00 0.00 C ATOM 145 CG2 ILE A 13 -14.474 -1.893 4.560 1.00 0.00 C ATOM 146 CD1 ILE A 13 -13.939 0.732 6.213 1.00 0.00 C ATOM 0 H ILE A 13 -16.058 1.528 3.199 1.00 0.00 H new ATOM 0 HA ILE A 13 -14.279 -0.466 2.197 1.00 0.00 H new ATOM 0 HB ILE A 13 -15.905 -0.283 4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -12.908 0.190 4.401 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.065 1.492 4.202 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -14.284 -1.950 5.632 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -15.241 -2.618 4.288 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -13.556 -2.115 4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.177 1.454 6.504 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -14.921 1.102 6.507 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.746 -0.219 6.709 1.00 0.00 H new ATOM 158 N GLU A 14 -17.552 -1.157 2.513 1.00 0.00 N ATOM 159 CA GLU A 14 -18.609 -2.074 2.083 1.00 0.00 C ATOM 160 C GLU A 14 -18.620 -2.203 0.566 1.00 0.00 C ATOM 161 O GLU A 14 -18.785 -3.295 0.028 1.00 0.00 O ATOM 162 CB GLU A 14 -20.005 -1.591 2.480 1.00 0.00 C ATOM 163 CG GLU A 14 -20.199 -1.308 3.964 1.00 0.00 C ATOM 164 CD GLU A 14 -21.694 -1.155 4.209 1.00 0.00 C ATOM 165 OE1 GLU A 14 -22.349 -2.197 4.429 1.00 0.00 O ATOM 166 OE2 GLU A 14 -22.229 -0.023 4.105 1.00 0.00 O ATOM 0 H GLU A 14 -17.885 -0.367 3.066 1.00 0.00 H new ATOM 0 HA GLU A 14 -18.390 -3.023 2.573 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -20.229 -0.682 1.921 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.732 -2.342 2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.793 -2.121 4.566 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.668 -0.401 4.254 1.00 0.00 H new ATOM 173 N ARG A 15 -18.459 -1.079 -0.139 1.00 0.00 N ATOM 174 CA ARG A 15 -18.460 -1.082 -1.595 1.00 0.00 C ATOM 175 C ARG A 15 -17.318 -1.956 -2.119 1.00 0.00 C ATOM 176 O ARG A 15 -17.478 -2.581 -3.168 1.00 0.00 O ATOM 177 CB ARG A 15 -18.412 0.362 -2.109 1.00 0.00 C ATOM 178 CG ARG A 15 -19.710 1.140 -1.843 1.00 0.00 C ATOM 179 CD ARG A 15 -19.552 2.580 -2.336 1.00 0.00 C ATOM 180 NE ARG A 15 -20.835 3.296 -2.359 1.00 0.00 N ATOM 181 CZ ARG A 15 -21.021 4.538 -2.819 1.00 0.00 C ATOM 182 NH1 ARG A 15 -20.000 5.310 -3.178 1.00 0.00 N ATOM 183 NH2 ARG A 15 -22.258 4.983 -2.959 1.00 0.00 N ATOM 0 H ARG A 15 -18.327 -0.158 0.280 1.00 0.00 H new ATOM 0 HA ARG A 15 -19.381 -1.523 -1.977 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.580 0.883 -1.635 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -18.214 0.353 -3.181 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -20.545 0.660 -2.352 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -19.939 1.132 -0.777 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -18.852 3.110 -1.690 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -19.121 2.576 -3.337 1.00 0.00 H new ATOM 0 HE ARG A 15 -21.651 2.805 -1.994 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -19.045 4.959 -3.106 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -20.172 6.254 -3.526 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -23.046 4.382 -2.718 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -22.424 5.927 -3.308 1.00 0.00 H new ATOM 197 N LEU A 16 -16.178 -2.018 -1.426 1.00 0.00 N ATOM 198 CA LEU A 16 -15.050 -2.843 -1.849 1.00 0.00 C ATOM 199 C LEU A 16 -15.282 -4.317 -1.549 1.00 0.00 C ATOM 200 O LEU A 16 -14.710 -5.161 -2.242 1.00 0.00 O ATOM 201 CB LEU A 16 -13.740 -2.360 -1.214 1.00 0.00 C ATOM 202 CG LEU A 16 -13.173 -1.119 -1.917 1.00 0.00 C ATOM 203 CD1 LEU A 16 -11.915 -0.662 -1.173 1.00 0.00 C ATOM 204 CD2 LEU A 16 -12.878 -1.429 -3.393 1.00 0.00 C ATOM 0 H LEU A 16 -16.014 -1.501 -0.562 1.00 0.00 H new ATOM 0 HA LEU A 16 -14.965 -2.737 -2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -13.912 -2.132 -0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.004 -3.163 -1.250 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.904 -0.311 -1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.502 0.220 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.171 -0.418 -0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.175 -1.462 -1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.476 -0.539 -3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.149 -2.237 -3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.799 -1.731 -3.893 1.00 0.00 H new ATOM 216 N MET A 17 -16.125 -4.655 -0.569 1.00 0.00 N ATOM 217 CA MET A 17 -16.413 -6.053 -0.249 1.00 0.00 C ATOM 218 C MET A 17 -17.022 -6.724 -1.485 1.00 0.00 C ATOM 219 O MET A 17 -16.763 -7.897 -1.747 1.00 0.00 O ATOM 220 CB MET A 17 -17.382 -6.176 0.931 1.00 0.00 C ATOM 221 CG MET A 17 -16.864 -5.530 2.217 1.00 0.00 C ATOM 222 SD MET A 17 -18.039 -5.709 3.584 1.00 0.00 S ATOM 223 CE MET A 17 -17.135 -4.879 4.902 1.00 0.00 C ATOM 0 H MET A 17 -16.618 -3.980 0.015 1.00 0.00 H new ATOM 0 HA MET A 17 -15.482 -6.542 0.036 1.00 0.00 H new ATOM 0 HB2 MET A 17 -18.332 -5.716 0.660 1.00 0.00 H new ATOM 0 HB3 MET A 17 -17.581 -7.231 1.119 1.00 0.00 H new ATOM 0 HG2 MET A 17 -15.913 -5.985 2.494 1.00 0.00 H new ATOM 0 HG3 MET A 17 -16.672 -4.472 2.040 1.00 0.00 H new ATOM 0 HE1 MET A 17 -17.188 -5.477 5.812 1.00 0.00 H new ATOM 0 HE2 MET A 17 -16.092 -4.758 4.608 1.00 0.00 H new ATOM 0 HE3 MET A 17 -17.576 -3.899 5.085 1.00 0.00 H new ATOM 233 N SER A 18 -17.771 -5.965 -2.290 1.00 0.00 N ATOM 234 CA SER A 18 -18.421 -6.408 -3.517 1.00 0.00 C ATOM 235 C SER A 18 -17.435 -6.838 -4.607 1.00 0.00 C ATOM 236 O SER A 18 -17.861 -7.423 -5.604 1.00 0.00 O ATOM 237 CB SER A 18 -19.311 -5.275 -4.024 1.00 0.00 C ATOM 238 OG SER A 18 -20.115 -4.815 -2.954 1.00 0.00 O ATOM 0 H SER A 18 -17.946 -4.980 -2.091 1.00 0.00 H new ATOM 0 HA SER A 18 -19.009 -7.295 -3.283 1.00 0.00 H new ATOM 0 HB2 SER A 18 -18.700 -4.461 -4.415 1.00 0.00 H new ATOM 0 HB3 SER A 18 -19.938 -5.625 -4.844 1.00 0.00 H new ATOM 0 HG SER A 18 -20.690 -4.086 -3.267 1.00 0.00 H new ATOM 244 N GLN A 19 -16.143 -6.530 -4.467 1.00 0.00 N ATOM 245 CA GLN A 19 -15.117 -6.918 -5.427 1.00 0.00 C ATOM 246 C GLN A 19 -14.481 -8.245 -4.987 1.00 0.00 C ATOM 247 O GLN A 19 -13.874 -8.912 -5.821 1.00 0.00 O ATOM 248 CB GLN A 19 -14.033 -5.837 -5.544 1.00 0.00 C ATOM 249 CG GLN A 19 -14.540 -4.416 -5.838 1.00 0.00 C ATOM 250 CD GLN A 19 -15.091 -4.176 -7.249 1.00 0.00 C ATOM 251 OE1 GLN A 19 -15.273 -5.072 -8.078 1.00 0.00 O ATOM 252 NE2 GLN A 19 -15.374 -2.919 -7.542 1.00 0.00 N ATOM 0 H GLN A 19 -15.781 -5.999 -3.675 1.00 0.00 H new ATOM 0 HA GLN A 19 -15.585 -7.038 -6.404 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.465 -5.815 -4.614 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.340 -6.127 -6.334 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.322 -4.175 -5.118 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.722 -3.717 -5.665 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -15.220 -2.187 -6.849 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.747 -2.681 -8.461 1.00 0.00 H new ATOM 261 N GLY A 20 -14.617 -8.632 -3.711 1.00 0.00 N ATOM 262 CA GLY A 20 -14.065 -9.861 -3.154 1.00 0.00 C ATOM 263 C GLY A 20 -12.913 -9.636 -2.166 1.00 0.00 C ATOM 264 O GLY A 20 -12.266 -10.614 -1.781 1.00 0.00 O ATOM 0 H GLY A 20 -15.129 -8.079 -3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.861 -10.409 -2.649 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.712 -10.491 -3.970 1.00 0.00 H new ATOM 268 N TYR A 21 -12.598 -8.385 -1.800 1.00 0.00 N ATOM 269 CA TYR A 21 -11.533 -8.082 -0.844 1.00 0.00 C ATOM 270 C TYR A 21 -12.104 -8.278 0.564 1.00 0.00 C ATOM 271 O TYR A 21 -13.306 -8.066 0.775 1.00 0.00 O ATOM 272 CB TYR A 21 -11.066 -6.623 -0.983 1.00 0.00 C ATOM 273 CG TYR A 21 -10.456 -6.247 -2.321 1.00 0.00 C ATOM 274 CD1 TYR A 21 -9.192 -6.747 -2.693 1.00 0.00 C ATOM 275 CD2 TYR A 21 -11.142 -5.373 -3.188 1.00 0.00 C ATOM 276 CE1 TYR A 21 -8.622 -6.378 -3.925 1.00 0.00 C ATOM 277 CE2 TYR A 21 -10.577 -5.005 -4.423 1.00 0.00 C ATOM 278 CZ TYR A 21 -9.309 -5.505 -4.795 1.00 0.00 C ATOM 279 OH TYR A 21 -8.737 -5.110 -5.964 1.00 0.00 O ATOM 0 H TYR A 21 -13.076 -7.559 -2.160 1.00 0.00 H new ATOM 0 HA TYR A 21 -10.682 -8.737 -1.031 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.919 -5.970 -0.798 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -10.333 -6.420 -0.202 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.660 -7.414 -2.031 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -12.108 -4.983 -2.903 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.654 -6.765 -4.206 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.112 -4.341 -5.086 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.348 -4.511 -6.441 1.00 0.00 H new ATOM 289 N SER A 22 -11.275 -8.637 1.541 1.00 0.00 N ATOM 290 CA SER A 22 -11.734 -8.832 2.911 1.00 0.00 C ATOM 291 C SER A 22 -11.718 -7.516 3.685 1.00 0.00 C ATOM 292 O SER A 22 -10.904 -6.630 3.420 1.00 0.00 O ATOM 293 CB SER A 22 -10.900 -9.910 3.592 1.00 0.00 C ATOM 294 OG SER A 22 -11.002 -11.099 2.835 1.00 0.00 O ATOM 0 H SER A 22 -10.277 -8.799 1.407 1.00 0.00 H new ATOM 0 HA SER A 22 -12.769 -9.174 2.894 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.859 -9.595 3.664 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.254 -10.077 4.609 1.00 0.00 H new ATOM 0 HG SER A 22 -10.469 -11.804 3.259 1.00 0.00 H new ATOM 300 N TYR A 23 -12.602 -7.409 4.680 1.00 0.00 N ATOM 301 CA TYR A 23 -12.757 -6.236 5.534 1.00 0.00 C ATOM 302 C TYR A 23 -11.428 -5.778 6.132 1.00 0.00 C ATOM 303 O TYR A 23 -11.071 -4.602 6.056 1.00 0.00 O ATOM 304 CB TYR A 23 -13.756 -6.566 6.653 1.00 0.00 C ATOM 305 CG TYR A 23 -13.945 -5.439 7.651 1.00 0.00 C ATOM 306 CD1 TYR A 23 -14.568 -4.249 7.243 1.00 0.00 C ATOM 307 CD2 TYR A 23 -13.493 -5.566 8.978 1.00 0.00 C ATOM 308 CE1 TYR A 23 -14.792 -3.208 8.156 1.00 0.00 C ATOM 309 CE2 TYR A 23 -13.710 -4.527 9.902 1.00 0.00 C ATOM 310 CZ TYR A 23 -14.384 -3.350 9.502 1.00 0.00 C ATOM 311 OH TYR A 23 -14.648 -2.369 10.409 1.00 0.00 O ATOM 0 H TYR A 23 -13.248 -8.161 4.918 1.00 0.00 H new ATOM 0 HA TYR A 23 -13.129 -5.414 4.923 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -14.720 -6.811 6.207 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -13.415 -7.455 7.183 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -14.878 -4.134 6.215 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -12.978 -6.463 9.288 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -15.276 -2.299 7.831 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -13.361 -4.629 10.919 1.00 0.00 H new ATOM 0 HH TYR A 23 -14.298 -2.632 11.286 1.00 0.00 H new ATOM 321 N GLN A 24 -10.695 -6.724 6.719 1.00 0.00 N ATOM 322 CA GLN A 24 -9.416 -6.467 7.360 1.00 0.00 C ATOM 323 C GLN A 24 -8.407 -5.903 6.357 1.00 0.00 C ATOM 324 O GLN A 24 -7.816 -4.863 6.636 1.00 0.00 O ATOM 325 CB GLN A 24 -8.949 -7.727 8.109 1.00 0.00 C ATOM 326 CG GLN A 24 -10.016 -8.133 9.150 1.00 0.00 C ATOM 327 CD GLN A 24 -9.574 -9.223 10.120 1.00 0.00 C ATOM 328 OE1 GLN A 24 -10.197 -10.276 10.226 1.00 0.00 O ATOM 329 NE2 GLN A 24 -8.566 -8.958 10.925 1.00 0.00 N ATOM 0 H GLN A 24 -10.981 -7.702 6.760 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.519 -5.689 8.116 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.785 -8.542 7.404 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.997 -7.537 8.604 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.301 -7.250 9.722 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.908 -8.473 8.623 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.054 -8.081 10.830 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.297 -9.630 11.644 1.00 0.00 H new ATOM 338 N ASP A 25 -8.252 -6.517 5.178 1.00 0.00 N ATOM 339 CA ASP A 25 -7.319 -6.048 4.141 1.00 0.00 C ATOM 340 C ASP A 25 -7.633 -4.600 3.786 1.00 0.00 C ATOM 341 O ASP A 25 -6.732 -3.765 3.697 1.00 0.00 O ATOM 342 CB ASP A 25 -7.408 -6.889 2.861 1.00 0.00 C ATOM 343 CG ASP A 25 -6.749 -8.244 3.034 1.00 0.00 C ATOM 344 OD1 ASP A 25 -5.501 -8.305 3.031 1.00 0.00 O ATOM 345 OD2 ASP A 25 -7.499 -9.232 3.200 1.00 0.00 O ATOM 0 H ASP A 25 -8.770 -7.355 4.914 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.312 -6.142 4.548 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.454 -7.025 2.587 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.931 -6.354 2.040 1.00 0.00 H new ATOM 350 N ILE A 26 -8.919 -4.274 3.607 1.00 0.00 N ATOM 351 CA ILE A 26 -9.341 -2.919 3.273 1.00 0.00 C ATOM 352 C ILE A 26 -8.888 -1.967 4.392 1.00 0.00 C ATOM 353 O ILE A 26 -8.358 -0.895 4.095 1.00 0.00 O ATOM 354 CB ILE A 26 -10.859 -2.856 2.986 1.00 0.00 C ATOM 355 CG1 ILE A 26 -11.318 -3.785 1.836 1.00 0.00 C ATOM 356 CG2 ILE A 26 -11.246 -1.415 2.615 1.00 0.00 C ATOM 357 CD1 ILE A 26 -12.805 -4.154 1.958 1.00 0.00 C ATOM 0 H ILE A 26 -9.687 -4.940 3.690 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.864 -2.596 2.348 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.353 -3.194 3.897 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.143 -3.293 0.879 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.716 -4.694 1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -12.316 -1.366 2.412 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -11.003 -0.749 3.443 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.694 -1.107 1.727 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.087 -4.807 1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.975 -4.670 2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.409 -3.247 1.926 1.00 0.00 H new ATOM 369 N GLN A 27 -9.079 -2.328 5.667 1.00 0.00 N ATOM 370 CA GLN A 27 -8.656 -1.482 6.779 1.00 0.00 C ATOM 371 C GLN A 27 -7.129 -1.318 6.780 1.00 0.00 C ATOM 372 O GLN A 27 -6.648 -0.208 7.021 1.00 0.00 O ATOM 373 CB GLN A 27 -9.190 -1.991 8.129 1.00 0.00 C ATOM 374 CG GLN A 27 -10.725 -1.905 8.229 1.00 0.00 C ATOM 375 CD GLN A 27 -11.197 -1.366 9.583 1.00 0.00 C ATOM 376 OE1 GLN A 27 -11.013 -1.996 10.621 1.00 0.00 O ATOM 377 NE2 GLN A 27 -11.805 -0.193 9.621 1.00 0.00 N ATOM 0 H GLN A 27 -9.524 -3.201 5.949 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.095 -0.495 6.636 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.878 -3.025 8.272 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.744 -1.409 8.935 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.102 -1.261 7.434 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.152 -2.895 8.067 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.958 0.330 8.759 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.121 0.189 10.512 1.00 0.00 H new ATOM 386 N LYS A 28 -6.335 -2.367 6.512 1.00 0.00 N ATOM 387 CA LYS A 28 -4.873 -2.231 6.477 1.00 0.00 C ATOM 388 C LYS A 28 -4.509 -1.256 5.358 1.00 0.00 C ATOM 389 O LYS A 28 -3.733 -0.327 5.579 1.00 0.00 O ATOM 390 CB LYS A 28 -4.154 -3.575 6.252 1.00 0.00 C ATOM 391 CG LYS A 28 -3.914 -4.398 7.528 1.00 0.00 C ATOM 392 CD LYS A 28 -5.129 -5.220 7.975 1.00 0.00 C ATOM 393 CE LYS A 28 -4.804 -6.241 9.072 1.00 0.00 C ATOM 394 NZ LYS A 28 -4.236 -5.620 10.283 1.00 0.00 N ATOM 0 H LYS A 28 -6.677 -3.308 6.319 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.543 -1.860 7.447 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.741 -4.173 5.555 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.193 -3.382 5.775 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.073 -5.072 7.361 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.627 -3.724 8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.903 -4.543 8.337 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.541 -5.744 7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.712 -6.782 9.339 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.099 -6.975 8.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.543 -6.266 10.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.766 -4.728 10.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.998 -5.428 10.964 1.00 0.00 H new ATOM 408 N ALA A 29 -5.071 -1.431 4.162 1.00 0.00 N ATOM 409 CA ALA A 29 -4.784 -0.544 3.045 1.00 0.00 C ATOM 410 C ALA A 29 -5.164 0.902 3.382 1.00 0.00 C ATOM 411 O ALA A 29 -4.418 1.816 3.040 1.00 0.00 O ATOM 412 CB ALA A 29 -5.514 -1.030 1.790 1.00 0.00 C ATOM 0 H ALA A 29 -5.728 -2.181 3.946 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.712 -0.563 2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.294 -0.360 0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.181 -2.038 1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.588 -1.038 1.974 1.00 0.00 H new ATOM 418 N LEU A 30 -6.296 1.127 4.057 1.00 0.00 N ATOM 419 CA LEU A 30 -6.758 2.462 4.415 1.00 0.00 C ATOM 420 C LEU A 30 -5.834 3.146 5.411 1.00 0.00 C ATOM 421 O LEU A 30 -5.467 4.294 5.166 1.00 0.00 O ATOM 422 CB LEU A 30 -8.201 2.425 4.945 1.00 0.00 C ATOM 423 CG LEU A 30 -9.258 2.403 3.824 1.00 0.00 C ATOM 424 CD1 LEU A 30 -10.645 2.167 4.432 1.00 0.00 C ATOM 425 CD2 LEU A 30 -9.282 3.720 3.032 1.00 0.00 C ATOM 0 H LEU A 30 -6.917 0.381 4.370 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.741 3.056 3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.328 1.543 5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.371 3.295 5.579 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.994 1.597 3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.392 2.152 3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.654 1.212 4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.876 2.969 5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.041 3.662 2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.516 4.545 3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.306 3.889 2.577 1.00 0.00 H new ATOM 437 N VAL A 31 -5.442 2.482 6.501 1.00 0.00 N ATOM 438 CA VAL A 31 -4.564 3.106 7.490 1.00 0.00 C ATOM 439 C VAL A 31 -3.200 3.449 6.886 1.00 0.00 C ATOM 440 O VAL A 31 -2.637 4.521 7.142 1.00 0.00 O ATOM 441 CB VAL A 31 -4.512 2.261 8.778 1.00 0.00 C ATOM 442 CG1 VAL A 31 -3.824 0.899 8.656 1.00 0.00 C ATOM 443 CG2 VAL A 31 -3.823 3.027 9.909 1.00 0.00 C ATOM 0 H VAL A 31 -5.715 1.524 6.719 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.979 4.068 7.791 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.563 2.068 8.992 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.846 0.393 9.621 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.346 0.293 7.916 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.789 1.041 8.344 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.800 2.408 10.806 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.804 3.275 9.612 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.374 3.945 10.115 1.00 0.00 H new ATOM 453 N ILE A 32 -2.660 2.574 6.036 1.00 0.00 N ATOM 454 CA ILE A 32 -1.373 2.829 5.407 1.00 0.00 C ATOM 455 C ILE A 32 -1.533 3.952 4.367 1.00 0.00 C ATOM 456 O ILE A 32 -0.583 4.691 4.098 1.00 0.00 O ATOM 457 CB ILE A 32 -0.793 1.528 4.819 1.00 0.00 C ATOM 458 CG1 ILE A 32 -0.674 0.399 5.873 1.00 0.00 C ATOM 459 CG2 ILE A 32 0.603 1.835 4.263 1.00 0.00 C ATOM 460 CD1 ILE A 32 -0.499 -0.989 5.241 1.00 0.00 C ATOM 0 H ILE A 32 -3.094 1.690 5.772 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.649 3.172 6.146 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.472 1.177 4.042 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.174 0.606 6.526 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.566 0.398 6.500 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.034 0.927 3.841 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.526 2.596 3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.242 2.201 5.067 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.421 -1.740 6.027 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.359 -1.212 4.610 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.408 -1.002 4.636 1.00 0.00 H new ATOM 472 N ALA A 33 -2.723 4.123 3.785 1.00 0.00 N ATOM 473 CA ALA A 33 -3.011 5.152 2.807 1.00 0.00 C ATOM 474 C ALA A 33 -3.488 6.439 3.485 1.00 0.00 C ATOM 475 O ALA A 33 -3.981 7.327 2.794 1.00 0.00 O ATOM 476 CB ALA A 33 -4.035 4.630 1.807 1.00 0.00 C ATOM 0 H ALA A 33 -3.527 3.530 3.992 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.096 5.399 2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.252 5.404 1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.635 3.751 1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.952 4.361 2.332 1.00 0.00 H new ATOM 482 N HIS A 34 -3.341 6.573 4.809 1.00 0.00 N ATOM 483 CA HIS A 34 -3.772 7.751 5.560 1.00 0.00 C ATOM 484 C HIS A 34 -5.240 8.079 5.240 1.00 0.00 C ATOM 485 O HIS A 34 -5.608 9.190 4.849 1.00 0.00 O ATOM 486 CB HIS A 34 -2.798 8.922 5.348 1.00 0.00 C ATOM 487 CG HIS A 34 -1.513 8.835 6.138 1.00 0.00 C ATOM 488 ND1 HIS A 34 -0.903 9.918 6.721 1.00 0.00 N ATOM 489 CD2 HIS A 34 -0.768 7.722 6.443 1.00 0.00 C ATOM 490 CE1 HIS A 34 0.167 9.472 7.391 1.00 0.00 C ATOM 491 NE2 HIS A 34 0.309 8.138 7.242 1.00 0.00 N ATOM 0 H HIS A 34 -2.913 5.855 5.393 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.739 7.541 6.629 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.552 8.983 4.288 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.306 9.850 5.611 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.973 6.710 6.126 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.828 10.096 7.973 1.00 0.00 H new ATOM 0 HE2 HIS A 34 1.048 7.552 7.631 1.00 0.00 H new ATOM 499 N ASN A 35 -6.095 7.068 5.403 1.00 0.00 N ATOM 500 CA ASN A 35 -7.539 7.082 5.181 1.00 0.00 C ATOM 501 C ASN A 35 -7.935 7.354 3.719 1.00 0.00 C ATOM 502 O ASN A 35 -9.136 7.459 3.451 1.00 0.00 O ATOM 503 CB ASN A 35 -8.244 8.059 6.162 1.00 0.00 C ATOM 504 CG ASN A 35 -8.162 7.669 7.634 1.00 0.00 C ATOM 505 OD1 ASN A 35 -7.767 6.564 7.999 1.00 0.00 O ATOM 506 ND2 ASN A 35 -8.490 8.574 8.539 1.00 0.00 N ATOM 0 H ASN A 35 -5.771 6.153 5.716 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.891 6.072 5.392 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.807 9.050 6.040 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.294 8.137 5.881 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.414 8.353 9.532 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.819 9.494 8.245 1.00 0.00 H new ATOM 513 N ASN A 36 -6.992 7.465 2.772 1.00 0.00 N ATOM 514 CA ASN A 36 -7.258 7.741 1.354 1.00 0.00 C ATOM 515 C ASN A 36 -7.755 6.478 0.646 1.00 0.00 C ATOM 516 O ASN A 36 -6.972 5.563 0.383 1.00 0.00 O ATOM 517 CB ASN A 36 -5.999 8.305 0.673 1.00 0.00 C ATOM 518 CG ASN A 36 -6.249 8.791 -0.754 1.00 0.00 C ATOM 519 OD1 ASN A 36 -7.136 8.322 -1.465 1.00 0.00 O ATOM 520 ND2 ASN A 36 -5.468 9.744 -1.226 1.00 0.00 N ATOM 0 H ASN A 36 -5.998 7.363 2.977 1.00 0.00 H new ATOM 0 HA ASN A 36 -8.044 8.493 1.284 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.612 9.132 1.268 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.227 7.535 0.657 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.601 10.089 -2.177 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.731 10.136 -0.640 1.00 0.00 H new ATOM 527 N ILE A 37 -9.053 6.418 0.334 1.00 0.00 N ATOM 528 CA ILE A 37 -9.681 5.277 -0.333 1.00 0.00 C ATOM 529 C ILE A 37 -9.075 4.984 -1.712 1.00 0.00 C ATOM 530 O ILE A 37 -8.841 3.824 -2.024 1.00 0.00 O ATOM 531 CB ILE A 37 -11.217 5.476 -0.374 1.00 0.00 C ATOM 532 CG1 ILE A 37 -12.008 4.233 -0.846 1.00 0.00 C ATOM 533 CG2 ILE A 37 -11.644 6.677 -1.239 1.00 0.00 C ATOM 534 CD1 ILE A 37 -12.121 3.127 0.212 1.00 0.00 C ATOM 0 H ILE A 37 -9.706 7.174 0.542 1.00 0.00 H new ATOM 0 HA ILE A 37 -9.472 4.382 0.253 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.469 5.665 0.669 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.010 4.543 -1.141 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.526 3.824 -1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -12.730 6.765 -1.229 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.202 7.589 -0.838 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.302 6.528 -2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.689 2.291 -0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.124 2.787 0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.631 3.517 1.093 1.00 0.00 H new ATOM 546 N GLU A 38 -8.808 5.991 -2.546 1.00 0.00 N ATOM 547 CA GLU A 38 -8.251 5.781 -3.884 1.00 0.00 C ATOM 548 C GLU A 38 -6.868 5.142 -3.817 1.00 0.00 C ATOM 549 O GLU A 38 -6.566 4.194 -4.548 1.00 0.00 O ATOM 550 CB GLU A 38 -8.148 7.122 -4.625 1.00 0.00 C ATOM 551 CG GLU A 38 -9.515 7.710 -4.995 1.00 0.00 C ATOM 552 CD GLU A 38 -10.185 6.991 -6.177 1.00 0.00 C ATOM 553 OE1 GLU A 38 -9.730 5.905 -6.610 1.00 0.00 O ATOM 554 OE2 GLU A 38 -11.162 7.528 -6.740 1.00 0.00 O ATOM 0 H GLU A 38 -8.971 6.971 -2.314 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.920 5.107 -4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.609 7.835 -4.001 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.560 6.985 -5.533 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.172 7.658 -4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.395 8.765 -5.241 1.00 0.00 H new ATOM 561 N MET A 39 -6.027 5.680 -2.941 1.00 0.00 N ATOM 562 CA MET A 39 -4.675 5.200 -2.732 1.00 0.00 C ATOM 563 C MET A 39 -4.769 3.763 -2.210 1.00 0.00 C ATOM 564 O MET A 39 -4.150 2.868 -2.783 1.00 0.00 O ATOM 565 CB MET A 39 -3.983 6.182 -1.785 1.00 0.00 C ATOM 566 CG MET A 39 -2.476 6.000 -1.613 1.00 0.00 C ATOM 567 SD MET A 39 -1.770 7.386 -0.669 1.00 0.00 S ATOM 568 CE MET A 39 -0.015 7.252 -1.093 1.00 0.00 C ATOM 0 H MET A 39 -6.273 6.474 -2.349 1.00 0.00 H new ATOM 0 HA MET A 39 -4.073 5.161 -3.640 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.168 7.194 -2.145 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.453 6.102 -0.805 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.274 5.061 -1.098 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.998 5.937 -2.590 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.511 8.143 -0.750 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.410 6.371 -0.611 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.092 7.161 -2.174 1.00 0.00 H new ATOM 578 N ALA A 40 -5.603 3.518 -1.190 1.00 0.00 N ATOM 579 CA ALA A 40 -5.805 2.198 -0.604 1.00 0.00 C ATOM 580 C ALA A 40 -6.268 1.185 -1.655 1.00 0.00 C ATOM 581 O ALA A 40 -5.783 0.056 -1.679 1.00 0.00 O ATOM 582 CB ALA A 40 -6.827 2.291 0.529 1.00 0.00 C ATOM 0 H ALA A 40 -6.162 4.247 -0.746 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.852 1.849 -0.207 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.977 1.304 0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.460 2.975 1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.774 2.661 0.136 1.00 0.00 H new ATOM 588 N LYS A 41 -7.188 1.571 -2.544 1.00 0.00 N ATOM 589 CA LYS A 41 -7.684 0.692 -3.600 1.00 0.00 C ATOM 590 C LYS A 41 -6.521 0.234 -4.471 1.00 0.00 C ATOM 591 O LYS A 41 -6.463 -0.935 -4.860 1.00 0.00 O ATOM 592 CB LYS A 41 -8.734 1.418 -4.450 1.00 0.00 C ATOM 593 CG LYS A 41 -10.103 1.436 -3.769 1.00 0.00 C ATOM 594 CD LYS A 41 -11.126 2.163 -4.644 1.00 0.00 C ATOM 595 CE LYS A 41 -12.528 2.063 -4.037 1.00 0.00 C ATOM 596 NZ LYS A 41 -13.563 1.741 -5.042 1.00 0.00 N ATOM 0 H LYS A 41 -7.608 2.501 -2.550 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.155 -0.180 -3.146 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.407 2.441 -4.636 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.817 0.929 -5.421 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.436 0.415 -3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.028 1.930 -2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.843 3.211 -4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.127 1.732 -5.645 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.530 1.297 -3.261 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.778 3.007 -3.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.492 1.685 -4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.583 2.484 -5.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.343 0.827 -5.487 1.00 0.00 H new ATOM 610 N ASN A 42 -5.597 1.144 -4.795 1.00 0.00 N ATOM 611 CA ASN A 42 -4.443 0.789 -5.608 1.00 0.00 C ATOM 612 C ASN A 42 -3.566 -0.203 -4.850 1.00 0.00 C ATOM 613 O ASN A 42 -3.049 -1.119 -5.488 1.00 0.00 O ATOM 614 CB ASN A 42 -3.655 2.016 -6.078 1.00 0.00 C ATOM 615 CG ASN A 42 -4.341 2.686 -7.255 1.00 0.00 C ATOM 616 OD1 ASN A 42 -4.169 2.267 -8.399 1.00 0.00 O ATOM 617 ND2 ASN A 42 -5.163 3.690 -7.015 1.00 0.00 N ATOM 0 H ASN A 42 -5.630 2.122 -4.507 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.803 0.309 -6.518 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.558 2.726 -5.257 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.646 1.717 -6.363 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.667 4.131 -7.784 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.294 4.025 -6.060 1.00 0.00 H new ATOM 624 N ILE A 43 -3.420 -0.064 -3.523 1.00 0.00 N ATOM 625 CA ILE A 43 -2.624 -0.994 -2.716 1.00 0.00 C ATOM 626 C ILE A 43 -3.246 -2.372 -2.917 1.00 0.00 C ATOM 627 O ILE A 43 -2.574 -3.298 -3.360 1.00 0.00 O ATOM 628 CB ILE A 43 -2.566 -0.609 -1.213 1.00 0.00 C ATOM 629 CG1 ILE A 43 -1.947 0.789 -1.025 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.788 -1.673 -0.416 1.00 0.00 C ATOM 631 CD1 ILE A 43 -1.945 1.297 0.419 1.00 0.00 C ATOM 0 H ILE A 43 -3.847 0.690 -2.986 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.584 -0.970 -3.041 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.585 -0.572 -0.828 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.920 0.769 -1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.493 1.500 -1.645 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.756 -1.389 0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.285 -2.638 -0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.772 -1.746 -0.803 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.491 2.287 0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.970 1.354 0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.373 0.612 1.045 1.00 0.00 H new ATOM 643 N LEU A 44 -4.550 -2.487 -2.656 1.00 0.00 N ATOM 644 CA LEU A 44 -5.284 -3.735 -2.789 1.00 0.00 C ATOM 645 C LEU A 44 -5.167 -4.332 -4.195 1.00 0.00 C ATOM 646 O LEU A 44 -5.066 -5.547 -4.319 1.00 0.00 O ATOM 647 CB LEU A 44 -6.763 -3.528 -2.418 1.00 0.00 C ATOM 648 CG LEU A 44 -7.023 -3.131 -0.952 1.00 0.00 C ATOM 649 CD1 LEU A 44 -8.490 -2.730 -0.779 1.00 0.00 C ATOM 650 CD2 LEU A 44 -6.688 -4.258 0.029 1.00 0.00 C ATOM 0 H LEU A 44 -5.126 -1.705 -2.344 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.835 -4.448 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.179 -2.756 -3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.306 -4.449 -2.630 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.367 -2.291 -0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.671 -2.450 0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.715 -1.883 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.131 -3.571 -1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.889 -3.926 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.301 -5.130 -0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.634 -4.521 -0.065 1.00 0.00 H new ATOM 662 N ARG A 45 -5.129 -3.522 -5.258 1.00 0.00 N ATOM 663 CA ARG A 45 -5.037 -4.043 -6.625 1.00 0.00 C ATOM 664 C ARG A 45 -3.735 -4.804 -6.909 1.00 0.00 C ATOM 665 O ARG A 45 -3.779 -5.795 -7.638 1.00 0.00 O ATOM 666 CB ARG A 45 -5.343 -2.927 -7.651 1.00 0.00 C ATOM 667 CG ARG A 45 -4.153 -2.371 -8.447 1.00 0.00 C ATOM 668 CD ARG A 45 -4.456 -1.069 -9.198 1.00 0.00 C ATOM 669 NE ARG A 45 -5.622 -1.153 -10.093 1.00 0.00 N ATOM 670 CZ ARG A 45 -6.368 -0.133 -10.534 1.00 0.00 C ATOM 671 NH1 ARG A 45 -6.131 1.130 -10.181 1.00 0.00 N ATOM 672 NH2 ARG A 45 -7.409 -0.415 -11.297 1.00 0.00 N ATOM 0 H ARG A 45 -5.161 -2.504 -5.198 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.808 -4.805 -6.735 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.077 -3.310 -8.360 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.814 -2.099 -7.121 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.321 -2.199 -7.764 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.826 -3.124 -9.164 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.624 -0.273 -8.472 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -3.581 -0.787 -9.783 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.889 -2.085 -10.410 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.357 1.347 -9.553 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.723 1.879 -10.539 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.622 -1.385 -11.532 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.000 0.337 -11.651 1.00 0.00 H new ATOM 686 N GLU A 46 -2.601 -4.366 -6.355 1.00 0.00 N ATOM 687 CA GLU A 46 -1.298 -5.013 -6.576 1.00 0.00 C ATOM 688 C GLU A 46 -0.810 -5.860 -5.392 1.00 0.00 C ATOM 689 O GLU A 46 0.057 -6.715 -5.594 1.00 0.00 O ATOM 690 CB GLU A 46 -0.208 -3.965 -6.869 1.00 0.00 C ATOM 691 CG GLU A 46 -0.344 -3.145 -8.159 1.00 0.00 C ATOM 692 CD GLU A 46 -0.236 -3.951 -9.450 1.00 0.00 C ATOM 693 OE1 GLU A 46 -1.279 -4.396 -9.974 1.00 0.00 O ATOM 694 OE2 GLU A 46 0.870 -4.037 -10.042 1.00 0.00 O ATOM 0 H GLU A 46 -2.557 -3.553 -5.740 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.461 -5.675 -7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.175 -3.270 -6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.753 -4.478 -6.896 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.307 -2.634 -8.147 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.426 -2.374 -8.164 1.00 0.00 H new ATOM 701 N PHE A 47 -1.346 -5.666 -4.181 1.00 0.00 N ATOM 702 CA PHE A 47 -0.925 -6.414 -2.995 1.00 0.00 C ATOM 703 C PHE A 47 -1.984 -7.371 -2.445 1.00 0.00 C ATOM 704 O PHE A 47 -1.639 -8.266 -1.679 1.00 0.00 O ATOM 705 CB PHE A 47 -0.435 -5.473 -1.890 1.00 0.00 C ATOM 706 CG PHE A 47 0.948 -4.928 -2.156 1.00 0.00 C ATOM 707 CD1 PHE A 47 2.084 -5.627 -1.695 1.00 0.00 C ATOM 708 CD2 PHE A 47 1.105 -3.758 -2.920 1.00 0.00 C ATOM 709 CE1 PHE A 47 3.368 -5.130 -1.951 1.00 0.00 C ATOM 710 CE2 PHE A 47 2.394 -3.265 -3.179 1.00 0.00 C ATOM 711 CZ PHE A 47 3.515 -3.945 -2.683 1.00 0.00 C ATOM 0 H PHE A 47 -2.084 -4.986 -3.998 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.099 -7.039 -3.334 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.134 -4.643 -1.789 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.434 -6.006 -0.939 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.963 -6.548 -1.143 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.239 -3.241 -3.306 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.238 -5.656 -1.587 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.522 -2.363 -3.759 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.503 -3.551 -2.867 1.00 0.00 H new ATOM 721 N SER A 48 -3.249 -7.203 -2.824 1.00 0.00 N ATOM 722 CA SER A 48 -4.393 -8.009 -2.402 1.00 0.00 C ATOM 723 C SER A 48 -5.109 -8.522 -3.665 1.00 0.00 C ATOM 724 O SER A 48 -6.316 -8.767 -3.670 1.00 0.00 O ATOM 725 CB SER A 48 -5.274 -7.115 -1.511 1.00 0.00 C ATOM 726 OG SER A 48 -6.019 -7.799 -0.531 1.00 0.00 O ATOM 0 H SER A 48 -3.518 -6.460 -3.469 1.00 0.00 H new ATOM 0 HA SER A 48 -4.113 -8.887 -1.820 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.637 -6.382 -1.016 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.963 -6.560 -2.148 1.00 0.00 H new ATOM 0 HG SER A 48 -6.546 -7.156 -0.013 1.00 0.00 H new ATOM 732 N GLY A 49 -4.389 -8.601 -4.782 1.00 0.00 N ATOM 733 CA GLY A 49 -4.870 -9.044 -6.069 1.00 0.00 C ATOM 734 C GLY A 49 -3.669 -9.448 -6.919 1.00 0.00 C ATOM 735 O GLY A 49 -2.524 -9.253 -6.504 1.00 0.00 O ATOM 0 H GLY A 49 -3.403 -8.342 -4.804 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.551 -9.887 -5.950 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.431 -8.248 -6.559 1.00 0.00 H new ATOM 739 N PRO A 50 -3.911 -10.000 -8.114 1.00 0.00 N ATOM 740 CA PRO A 50 -2.856 -10.439 -9.008 1.00 0.00 C ATOM 741 C PRO A 50 -2.075 -9.248 -9.561 1.00 0.00 C ATOM 742 O PRO A 50 -2.625 -8.493 -10.363 1.00 0.00 O ATOM 743 CB PRO A 50 -3.578 -11.214 -10.118 1.00 0.00 C ATOM 744 CG PRO A 50 -4.964 -10.572 -10.157 1.00 0.00 C ATOM 745 CD PRO A 50 -5.223 -10.259 -8.688 1.00 0.00 C ATOM 0 HA PRO A 50 -2.117 -11.060 -8.503 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.064 -11.118 -11.074 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.635 -12.279 -9.892 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.977 -9.672 -10.772 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.714 -11.249 -10.566 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.878 -9.394 -8.579 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.713 -11.094 -8.188 1.00 0.00 H new ATOM 753 N SER A 51 -0.827 -9.044 -9.135 1.00 0.00 N ATOM 754 CA SER A 51 0.027 -7.966 -9.623 1.00 0.00 C ATOM 755 C SER A 51 0.399 -8.370 -11.054 1.00 0.00 C ATOM 756 O SER A 51 1.311 -9.179 -11.257 1.00 0.00 O ATOM 757 CB SER A 51 1.245 -7.818 -8.705 1.00 0.00 C ATOM 758 OG SER A 51 1.818 -9.084 -8.423 1.00 0.00 O ATOM 0 H SER A 51 -0.378 -9.632 -8.433 1.00 0.00 H new ATOM 0 HA SER A 51 -0.460 -6.991 -9.623 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.987 -7.175 -9.178 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.949 -7.332 -7.775 1.00 0.00 H new ATOM 0 HG SER A 51 1.872 -9.610 -9.248 1.00 0.00 H new ATOM 764 N SER A 52 -0.328 -7.848 -12.034 1.00 0.00 N ATOM 765 CA SER A 52 -0.178 -8.130 -13.449 1.00 0.00 C ATOM 766 C SER A 52 1.164 -7.722 -14.065 1.00 0.00 C ATOM 767 O SER A 52 1.563 -8.367 -15.031 1.00 0.00 O ATOM 768 CB SER A 52 -1.367 -7.470 -14.150 1.00 0.00 C ATOM 769 OG SER A 52 -1.497 -7.819 -15.515 1.00 0.00 O ATOM 0 H SER A 52 -1.077 -7.181 -11.849 1.00 0.00 H new ATOM 0 HA SER A 52 -0.172 -9.211 -13.589 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.283 -7.745 -13.627 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.267 -6.387 -14.070 1.00 0.00 H new ATOM 0 HG SER A 52 -2.276 -7.363 -15.896 1.00 0.00 H new ATOM 775 N GLY A 53 1.902 -6.737 -13.551 1.00 0.00 N ATOM 776 CA GLY A 53 3.173 -6.371 -14.167 1.00 0.00 C ATOM 777 C GLY A 53 3.879 -5.351 -13.325 1.00 0.00 C ATOM 778 O GLY A 53 4.929 -5.663 -12.728 1.00 0.00 O ATOM 0 H GLY A 53 1.648 -6.190 -12.728 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.799 -7.256 -14.281 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.000 -5.972 -15.167 1.00 0.00 H new TER 782 GLY A 53 ATOM 783 N GLY B 1 15.276 8.027 9.320 1.00 0.00 N ATOM 784 CA GLY B 1 16.671 7.583 9.330 1.00 0.00 C ATOM 785 C GLY B 1 17.607 8.780 9.350 1.00 0.00 C ATOM 786 O GLY B 1 17.172 9.907 9.584 1.00 0.00 O ATOM 0 H1 GLY B 1 14.721 7.443 9.978 1.00 0.00 H new ATOM 0 H2 GLY B 1 15.227 9.023 9.615 1.00 0.00 H new ATOM 0 H3 GLY B 1 14.888 7.931 8.360 1.00 0.00 H new ATOM 0 HA2 GLY B 1 16.854 6.956 10.203 1.00 0.00 H new ATOM 0 HA3 GLY B 1 16.871 6.971 8.450 1.00 0.00 H new ATOM 790 N SER B 2 18.894 8.541 9.095 1.00 0.00 N ATOM 791 CA SER B 2 19.928 9.569 9.065 1.00 0.00 C ATOM 792 C SER B 2 19.806 10.482 7.843 1.00 0.00 C ATOM 793 O SER B 2 18.980 10.245 6.958 1.00 0.00 O ATOM 794 CB SER B 2 21.298 8.880 9.089 1.00 0.00 C ATOM 795 OG SER B 2 21.373 7.768 8.210 1.00 0.00 O ATOM 0 H SER B 2 19.252 7.606 8.900 1.00 0.00 H new ATOM 0 HA SER B 2 19.808 10.209 9.939 1.00 0.00 H new ATOM 0 HB2 SER B 2 22.067 9.603 8.818 1.00 0.00 H new ATOM 0 HB3 SER B 2 21.515 8.549 10.105 1.00 0.00 H new ATOM 0 HG SER B 2 22.266 7.368 8.264 1.00 0.00 H new ATOM 801 N SER B 3 20.644 11.515 7.775 1.00 0.00 N ATOM 802 CA SER B 3 20.678 12.465 6.677 1.00 0.00 C ATOM 803 C SER B 3 22.114 12.896 6.386 1.00 0.00 C ATOM 804 O SER B 3 23.058 12.525 7.095 1.00 0.00 O ATOM 805 CB SER B 3 19.783 13.669 6.991 1.00 0.00 C ATOM 806 OG SER B 3 20.050 14.245 8.253 1.00 0.00 O ATOM 0 H SER B 3 21.332 11.715 8.501 1.00 0.00 H new ATOM 0 HA SER B 3 20.290 11.983 5.780 1.00 0.00 H new ATOM 0 HB2 SER B 3 19.917 14.425 6.218 1.00 0.00 H new ATOM 0 HB3 SER B 3 18.739 13.357 6.954 1.00 0.00 H new ATOM 0 HG SER B 3 19.452 15.008 8.398 1.00 0.00 H new ATOM 812 N GLY B 4 22.284 13.678 5.323 1.00 0.00 N ATOM 813 CA GLY B 4 23.561 14.202 4.890 1.00 0.00 C ATOM 814 C GLY B 4 23.321 14.958 3.601 1.00 0.00 C ATOM 815 O GLY B 4 22.920 16.122 3.640 1.00 0.00 O ATOM 0 H GLY B 4 21.509 13.969 4.727 1.00 0.00 H new ATOM 0 HA2 GLY B 4 23.984 14.860 5.649 1.00 0.00 H new ATOM 0 HA3 GLY B 4 24.276 13.394 4.735 1.00 0.00 H new ATOM 819 N SER B 5 23.505 14.273 2.476 1.00 0.00 N ATOM 820 CA SER B 5 23.335 14.808 1.129 1.00 0.00 C ATOM 821 C SER B 5 22.530 13.869 0.221 1.00 0.00 C ATOM 822 O SER B 5 22.344 14.164 -0.963 1.00 0.00 O ATOM 823 CB SER B 5 24.725 15.071 0.550 1.00 0.00 C ATOM 824 OG SER B 5 25.395 16.047 1.325 1.00 0.00 O ATOM 0 H SER B 5 23.787 13.293 2.478 1.00 0.00 H new ATOM 0 HA SER B 5 22.760 15.733 1.183 1.00 0.00 H new ATOM 0 HB2 SER B 5 25.303 14.147 0.535 1.00 0.00 H new ATOM 0 HB3 SER B 5 24.640 15.410 -0.482 1.00 0.00 H new ATOM 0 HG SER B 5 26.285 16.209 0.949 1.00 0.00 H new ATOM 830 N SER B 6 22.066 12.735 0.746 1.00 0.00 N ATOM 831 CA SER B 6 21.298 11.745 0.013 1.00 0.00 C ATOM 832 C SER B 6 19.819 11.901 0.374 1.00 0.00 C ATOM 833 O SER B 6 19.471 11.968 1.559 1.00 0.00 O ATOM 834 CB SER B 6 21.863 10.369 0.382 1.00 0.00 C ATOM 835 OG SER B 6 21.366 9.317 -0.416 1.00 0.00 O ATOM 0 H SER B 6 22.222 12.478 1.721 1.00 0.00 H new ATOM 0 HA SER B 6 21.374 11.870 -1.067 1.00 0.00 H new ATOM 0 HB2 SER B 6 22.949 10.397 0.294 1.00 0.00 H new ATOM 0 HB3 SER B 6 21.633 10.160 1.427 1.00 0.00 H new ATOM 0 HG SER B 6 21.768 8.471 -0.129 1.00 0.00 H new ATOM 841 N GLY B 7 18.963 11.954 -0.643 1.00 0.00 N ATOM 842 CA GLY B 7 17.504 12.076 -0.567 1.00 0.00 C ATOM 843 C GLY B 7 16.817 11.167 -1.597 1.00 0.00 C ATOM 844 O GLY B 7 15.603 11.225 -1.808 1.00 0.00 O ATOM 0 H GLY B 7 19.289 11.910 -1.608 1.00 0.00 H new ATOM 0 HA2 GLY B 7 17.166 11.814 0.436 1.00 0.00 H new ATOM 0 HA3 GLY B 7 17.213 13.112 -0.741 1.00 0.00 H new ATOM 848 N GLN B 8 17.618 10.361 -2.293 1.00 0.00 N ATOM 849 CA GLN B 8 17.216 9.413 -3.311 1.00 0.00 C ATOM 850 C GLN B 8 16.606 8.202 -2.605 1.00 0.00 C ATOM 851 O GLN B 8 16.862 7.972 -1.421 1.00 0.00 O ATOM 852 CB GLN B 8 18.458 9.024 -4.132 1.00 0.00 C ATOM 853 CG GLN B 8 19.052 10.181 -4.962 1.00 0.00 C ATOM 854 CD GLN B 8 19.576 11.359 -4.136 1.00 0.00 C ATOM 855 OE1 GLN B 8 20.355 11.193 -3.202 1.00 0.00 O ATOM 856 NE2 GLN B 8 19.126 12.571 -4.399 1.00 0.00 N ATOM 0 H GLN B 8 18.627 10.359 -2.145 1.00 0.00 H new ATOM 0 HA GLN B 8 16.476 9.834 -3.992 1.00 0.00 H new ATOM 0 HB2 GLN B 8 19.224 8.646 -3.455 1.00 0.00 H new ATOM 0 HB3 GLN B 8 18.195 8.207 -4.804 1.00 0.00 H new ATOM 0 HG2 GLN B 8 19.867 9.791 -5.572 1.00 0.00 H new ATOM 0 HG3 GLN B 8 18.288 10.547 -5.648 1.00 0.00 H new ATOM 0 HE21 GLN B 8 18.478 12.718 -5.173 1.00 0.00 H new ATOM 0 HE22 GLN B 8 19.426 13.361 -3.828 1.00 0.00 H new ATOM 865 N LEU B 9 15.802 7.421 -3.330 1.00 0.00 N ATOM 866 CA LEU B 9 15.144 6.243 -2.766 1.00 0.00 C ATOM 867 C LEU B 9 15.734 4.943 -3.293 1.00 0.00 C ATOM 868 O LEU B 9 15.530 3.912 -2.660 1.00 0.00 O ATOM 869 CB LEU B 9 13.627 6.293 -3.016 1.00 0.00 C ATOM 870 CG LEU B 9 12.873 7.154 -1.986 1.00 0.00 C ATOM 871 CD1 LEU B 9 13.156 8.651 -2.108 1.00 0.00 C ATOM 872 CD2 LEU B 9 11.372 6.938 -2.147 1.00 0.00 C ATOM 0 H LEU B 9 15.591 7.586 -4.314 1.00 0.00 H new ATOM 0 HA LEU B 9 15.323 6.263 -1.691 1.00 0.00 H new ATOM 0 HB2 LEU B 9 13.442 6.688 -4.015 1.00 0.00 H new ATOM 0 HB3 LEU B 9 13.228 5.279 -2.995 1.00 0.00 H new ATOM 0 HG LEU B 9 13.228 6.834 -1.006 1.00 0.00 H new ATOM 0 HD11 LEU B 9 12.589 9.191 -1.350 1.00 0.00 H new ATOM 0 HD12 LEU B 9 14.221 8.833 -1.964 1.00 0.00 H new ATOM 0 HD13 LEU B 9 12.860 8.998 -3.098 1.00 0.00 H new ATOM 0 HD21 LEU B 9 10.837 7.547 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU B 9 11.069 7.226 -3.154 1.00 0.00 H new ATOM 0 HD23 LEU B 9 11.136 5.886 -1.984 1.00 0.00 H new ATOM 884 N SER B 10 16.467 4.970 -4.406 1.00 0.00 N ATOM 885 CA SER B 10 17.081 3.798 -5.014 1.00 0.00 C ATOM 886 C SER B 10 17.948 3.037 -4.006 1.00 0.00 C ATOM 887 O SER B 10 17.828 1.819 -3.878 1.00 0.00 O ATOM 888 CB SER B 10 17.862 4.229 -6.265 1.00 0.00 C ATOM 889 OG SER B 10 18.166 5.615 -6.303 1.00 0.00 O ATOM 0 H SER B 10 16.653 5.831 -4.920 1.00 0.00 H new ATOM 0 HA SER B 10 16.305 3.098 -5.325 1.00 0.00 H new ATOM 0 HB2 SER B 10 18.791 3.662 -6.315 1.00 0.00 H new ATOM 0 HB3 SER B 10 17.282 3.970 -7.151 1.00 0.00 H new ATOM 0 HG SER B 10 18.664 5.818 -7.122 1.00 0.00 H new ATOM 895 N SER B 11 18.771 3.753 -3.238 1.00 0.00 N ATOM 896 CA SER B 11 19.640 3.157 -2.234 1.00 0.00 C ATOM 897 C SER B 11 18.842 2.442 -1.138 1.00 0.00 C ATOM 898 O SER B 11 19.317 1.466 -0.557 1.00 0.00 O ATOM 899 CB SER B 11 20.505 4.269 -1.625 1.00 0.00 C ATOM 900 OG SER B 11 19.733 5.397 -1.229 1.00 0.00 O ATOM 0 H SER B 11 18.850 4.768 -3.299 1.00 0.00 H new ATOM 0 HA SER B 11 20.266 2.403 -2.711 1.00 0.00 H new ATOM 0 HB2 SER B 11 21.042 3.877 -0.761 1.00 0.00 H new ATOM 0 HB3 SER B 11 21.255 4.582 -2.351 1.00 0.00 H new ATOM 0 HG SER B 11 19.372 5.247 -0.330 1.00 0.00 H new ATOM 906 N GLU B 12 17.631 2.920 -0.850 1.00 0.00 N ATOM 907 CA GLU B 12 16.756 2.378 0.176 1.00 0.00 C ATOM 908 C GLU B 12 16.043 1.109 -0.298 1.00 0.00 C ATOM 909 O GLU B 12 15.645 0.297 0.541 1.00 0.00 O ATOM 910 CB GLU B 12 15.783 3.464 0.667 1.00 0.00 C ATOM 911 CG GLU B 12 16.461 4.817 0.967 1.00 0.00 C ATOM 912 CD GLU B 12 17.722 4.693 1.835 1.00 0.00 C ATOM 913 OE1 GLU B 12 17.592 4.486 3.069 1.00 0.00 O ATOM 914 OE2 GLU B 12 18.853 4.822 1.308 1.00 0.00 O ATOM 0 H GLU B 12 17.226 3.717 -1.341 1.00 0.00 H new ATOM 0 HA GLU B 12 17.363 2.072 1.028 1.00 0.00 H new ATOM 0 HB2 GLU B 12 15.010 3.614 -0.087 1.00 0.00 H new ATOM 0 HB3 GLU B 12 15.283 3.110 1.569 1.00 0.00 H new ATOM 0 HG2 GLU B 12 16.724 5.299 0.025 1.00 0.00 H new ATOM 0 HG3 GLU B 12 15.746 5.469 1.470 1.00 0.00 H new ATOM 921 N ILE B 13 15.899 0.917 -1.615 1.00 0.00 N ATOM 922 CA ILE B 13 15.269 -0.271 -2.182 1.00 0.00 C ATOM 923 C ILE B 13 16.200 -1.439 -1.857 1.00 0.00 C ATOM 924 O ILE B 13 15.760 -2.454 -1.321 1.00 0.00 O ATOM 925 CB ILE B 13 15.032 -0.119 -3.708 1.00 0.00 C ATOM 926 CG1 ILE B 13 14.022 1.013 -3.987 1.00 0.00 C ATOM 927 CG2 ILE B 13 14.537 -1.428 -4.351 1.00 0.00 C ATOM 928 CD1 ILE B 13 13.731 1.257 -5.472 1.00 0.00 C ATOM 0 H ILE B 13 16.219 1.586 -2.315 1.00 0.00 H new ATOM 0 HA ILE B 13 14.279 -0.436 -1.756 1.00 0.00 H new ATOM 0 HB ILE B 13 15.993 0.131 -4.157 1.00 0.00 H new ATOM 0 HG12 ILE B 13 13.086 0.780 -3.480 1.00 0.00 H new ATOM 0 HG13 ILE B 13 14.400 1.936 -3.548 1.00 0.00 H new ATOM 0 HG21 ILE B 13 14.385 -1.274 -5.419 1.00 0.00 H new ATOM 0 HG22 ILE B 13 15.280 -2.211 -4.200 1.00 0.00 H new ATOM 0 HG23 ILE B 13 13.596 -1.727 -3.890 1.00 0.00 H new ATOM 0 HD11 ILE B 13 13.011 2.069 -5.573 1.00 0.00 H new ATOM 0 HD12 ILE B 13 14.655 1.525 -5.985 1.00 0.00 H new ATOM 0 HD13 ILE B 13 13.320 0.350 -5.916 1.00 0.00 H new ATOM 940 N GLU B 14 17.497 -1.289 -2.139 1.00 0.00 N ATOM 941 CA GLU B 14 18.483 -2.333 -1.878 1.00 0.00 C ATOM 942 C GLU B 14 18.546 -2.687 -0.391 1.00 0.00 C ATOM 943 O GLU B 14 18.839 -3.833 -0.047 1.00 0.00 O ATOM 944 CB GLU B 14 19.864 -1.908 -2.377 1.00 0.00 C ATOM 945 CG GLU B 14 19.856 -1.547 -3.865 1.00 0.00 C ATOM 946 CD GLU B 14 21.236 -1.708 -4.497 1.00 0.00 C ATOM 947 OE1 GLU B 14 22.250 -1.407 -3.824 1.00 0.00 O ATOM 948 OE2 GLU B 14 21.270 -2.149 -5.674 1.00 0.00 O ATOM 0 H GLU B 14 17.889 -0.443 -2.553 1.00 0.00 H new ATOM 0 HA GLU B 14 18.169 -3.223 -2.423 1.00 0.00 H new ATOM 0 HB2 GLU B 14 20.209 -1.051 -1.799 1.00 0.00 H new ATOM 0 HB3 GLU B 14 20.575 -2.716 -2.205 1.00 0.00 H new ATOM 0 HG2 GLU B 14 19.141 -2.181 -4.389 1.00 0.00 H new ATOM 0 HG3 GLU B 14 19.519 -0.518 -3.987 1.00 0.00 H new ATOM 955 N ARG B 15 18.267 -1.713 0.486 1.00 0.00 N ATOM 956 CA ARG B 15 18.271 -1.920 1.932 1.00 0.00 C ATOM 957 C ARG B 15 17.074 -2.782 2.320 1.00 0.00 C ATOM 958 O ARG B 15 17.174 -3.613 3.222 1.00 0.00 O ATOM 959 CB ARG B 15 18.234 -0.560 2.654 1.00 0.00 C ATOM 960 CG ARG B 15 19.578 0.169 2.567 1.00 0.00 C ATOM 961 CD ARG B 15 19.496 1.610 3.084 1.00 0.00 C ATOM 962 NE ARG B 15 20.815 2.089 3.516 1.00 0.00 N ATOM 963 CZ ARG B 15 21.114 3.290 4.010 1.00 0.00 C ATOM 964 NH1 ARG B 15 20.213 4.263 4.046 1.00 0.00 N ATOM 965 NH2 ARG B 15 22.328 3.519 4.492 1.00 0.00 N ATOM 0 H ARG B 15 18.033 -0.760 0.208 1.00 0.00 H new ATOM 0 HA ARG B 15 19.183 -2.436 2.232 1.00 0.00 H new ATOM 0 HB2 ARG B 15 17.454 0.063 2.216 1.00 0.00 H new ATOM 0 HB3 ARG B 15 17.970 -0.712 3.701 1.00 0.00 H new ATOM 0 HG2 ARG B 15 20.323 -0.379 3.143 1.00 0.00 H new ATOM 0 HG3 ARG B 15 19.918 0.176 1.531 1.00 0.00 H new ATOM 0 HD2 ARG B 15 19.108 2.260 2.300 1.00 0.00 H new ATOM 0 HD3 ARG B 15 18.795 1.662 3.917 1.00 0.00 H new ATOM 0 HE ARG B 15 21.588 1.429 3.428 1.00 0.00 H new ATOM 0 HH11 ARG B 15 19.271 4.099 3.691 1.00 0.00 H new ATOM 0 HH12 ARG B 15 20.462 5.175 4.428 1.00 0.00 H new ATOM 0 HH21 ARG B 15 23.028 2.777 4.484 1.00 0.00 H new ATOM 0 HH22 ARG B 15 22.561 4.437 4.871 1.00 0.00 H new ATOM 979 N LEU B 16 15.927 -2.576 1.668 1.00 0.00 N ATOM 980 CA LEU B 16 14.714 -3.337 1.940 1.00 0.00 C ATOM 981 C LEU B 16 14.842 -4.770 1.447 1.00 0.00 C ATOM 982 O LEU B 16 14.272 -5.666 2.068 1.00 0.00 O ATOM 983 CB LEU B 16 13.499 -2.663 1.287 1.00 0.00 C ATOM 984 CG LEU B 16 12.978 -1.503 2.143 1.00 0.00 C ATOM 985 CD1 LEU B 16 12.087 -0.596 1.296 1.00 0.00 C ATOM 986 CD2 LEU B 16 12.186 -2.026 3.346 1.00 0.00 C ATOM 0 H LEU B 16 15.817 -1.874 0.936 1.00 0.00 H new ATOM 0 HA LEU B 16 14.570 -3.359 3.020 1.00 0.00 H new ATOM 0 HB2 LEU B 16 13.773 -2.294 0.299 1.00 0.00 H new ATOM 0 HB3 LEU B 16 12.706 -3.397 1.145 1.00 0.00 H new ATOM 0 HG LEU B 16 13.833 -0.936 2.512 1.00 0.00 H new ATOM 0 HD11 LEU B 16 11.719 0.227 1.908 1.00 0.00 H new ATOM 0 HD12 LEU B 16 12.663 -0.198 0.461 1.00 0.00 H new ATOM 0 HD13 LEU B 16 11.243 -1.170 0.914 1.00 0.00 H new ATOM 0 HD21 LEU B 16 11.826 -1.185 3.939 1.00 0.00 H new ATOM 0 HD22 LEU B 16 11.337 -2.612 2.995 1.00 0.00 H new ATOM 0 HD23 LEU B 16 12.831 -2.654 3.961 1.00 0.00 H new ATOM 998 N MET B 17 15.602 -5.016 0.375 1.00 0.00 N ATOM 999 CA MET B 17 15.772 -6.370 -0.143 1.00 0.00 C ATOM 1000 C MET B 17 16.345 -7.300 0.927 1.00 0.00 C ATOM 1001 O MET B 17 15.973 -8.471 0.975 1.00 0.00 O ATOM 1002 CB MET B 17 16.654 -6.387 -1.393 1.00 0.00 C ATOM 1003 CG MET B 17 16.056 -5.560 -2.533 1.00 0.00 C ATOM 1004 SD MET B 17 16.522 -6.118 -4.189 1.00 0.00 S ATOM 1005 CE MET B 17 16.105 -4.626 -5.113 1.00 0.00 C ATOM 0 H MET B 17 16.105 -4.297 -0.146 1.00 0.00 H new ATOM 0 HA MET B 17 14.784 -6.735 -0.424 1.00 0.00 H new ATOM 0 HB2 MET B 17 17.642 -5.999 -1.144 1.00 0.00 H new ATOM 0 HB3 MET B 17 16.790 -7.416 -1.726 1.00 0.00 H new ATOM 0 HG2 MET B 17 14.969 -5.581 -2.449 1.00 0.00 H new ATOM 0 HG3 MET B 17 16.365 -4.522 -2.413 1.00 0.00 H new ATOM 0 HE1 MET B 17 16.208 -4.819 -6.181 1.00 0.00 H new ATOM 0 HE2 MET B 17 15.077 -4.337 -4.893 1.00 0.00 H new ATOM 0 HE3 MET B 17 16.778 -3.819 -4.824 1.00 0.00 H new ATOM 1015 N SER B 18 17.195 -6.784 1.819 1.00 0.00 N ATOM 1016 CA SER B 18 17.804 -7.553 2.893 1.00 0.00 C ATOM 1017 C SER B 18 16.764 -8.136 3.864 1.00 0.00 C ATOM 1018 O SER B 18 17.045 -9.126 4.536 1.00 0.00 O ATOM 1019 CB SER B 18 18.786 -6.647 3.630 1.00 0.00 C ATOM 1020 OG SER B 18 19.648 -5.967 2.733 1.00 0.00 O ATOM 0 H SER B 18 17.480 -5.805 1.810 1.00 0.00 H new ATOM 0 HA SER B 18 18.323 -8.408 2.460 1.00 0.00 H new ATOM 0 HB2 SER B 18 18.234 -5.920 4.225 1.00 0.00 H new ATOM 0 HB3 SER B 18 19.379 -7.242 4.324 1.00 0.00 H new ATOM 0 HG SER B 18 20.262 -5.395 3.239 1.00 0.00 H new ATOM 1026 N GLN B 19 15.561 -7.552 3.951 1.00 0.00 N ATOM 1027 CA GLN B 19 14.493 -8.038 4.820 1.00 0.00 C ATOM 1028 C GLN B 19 13.649 -9.110 4.114 1.00 0.00 C ATOM 1029 O GLN B 19 12.732 -9.650 4.736 1.00 0.00 O ATOM 1030 CB GLN B 19 13.637 -6.858 5.313 1.00 0.00 C ATOM 1031 CG GLN B 19 14.367 -5.992 6.349 1.00 0.00 C ATOM 1032 CD GLN B 19 14.542 -6.718 7.688 1.00 0.00 C ATOM 1033 OE1 GLN B 19 13.637 -6.786 8.517 1.00 0.00 O ATOM 1034 NE2 GLN B 19 15.718 -7.247 7.956 1.00 0.00 N ATOM 0 H GLN B 19 15.305 -6.723 3.414 1.00 0.00 H new ATOM 0 HA GLN B 19 14.938 -8.516 5.693 1.00 0.00 H new ATOM 0 HB2 GLN B 19 13.354 -6.239 4.462 1.00 0.00 H new ATOM 0 HB3 GLN B 19 12.715 -7.241 5.750 1.00 0.00 H new ATOM 0 HG2 GLN B 19 15.345 -5.710 5.960 1.00 0.00 H new ATOM 0 HG3 GLN B 19 13.809 -5.069 6.508 1.00 0.00 H new ATOM 0 HE21 GLN B 19 16.470 -7.192 7.270 1.00 0.00 H new ATOM 0 HE22 GLN B 19 15.876 -7.712 8.850 1.00 0.00 H new ATOM 1043 N GLY B 20 13.935 -9.437 2.851 1.00 0.00 N ATOM 1044 CA GLY B 20 13.229 -10.447 2.074 1.00 0.00 C ATOM 1045 C GLY B 20 12.188 -9.891 1.111 1.00 0.00 C ATOM 1046 O GLY B 20 11.541 -10.685 0.427 1.00 0.00 O ATOM 0 H GLY B 20 14.688 -8.990 2.329 1.00 0.00 H new ATOM 0 HA2 GLY B 20 13.958 -11.026 1.506 1.00 0.00 H new ATOM 0 HA3 GLY B 20 12.738 -11.138 2.760 1.00 0.00 H new ATOM 1050 N TYR B 21 11.998 -8.570 1.050 1.00 0.00 N ATOM 1051 CA TYR B 21 11.032 -7.956 0.148 1.00 0.00 C ATOM 1052 C TYR B 21 11.580 -8.018 -1.280 1.00 0.00 C ATOM 1053 O TYR B 21 12.693 -7.538 -1.528 1.00 0.00 O ATOM 1054 CB TYR B 21 10.777 -6.495 0.563 1.00 0.00 C ATOM 1055 CG TYR B 21 10.237 -6.313 1.971 1.00 0.00 C ATOM 1056 CD1 TYR B 21 9.020 -6.918 2.337 1.00 0.00 C ATOM 1057 CD2 TYR B 21 10.949 -5.556 2.924 1.00 0.00 C ATOM 1058 CE1 TYR B 21 8.541 -6.801 3.652 1.00 0.00 C ATOM 1059 CE2 TYR B 21 10.470 -5.429 4.241 1.00 0.00 C ATOM 1060 CZ TYR B 21 9.275 -6.081 4.616 1.00 0.00 C ATOM 1061 OH TYR B 21 8.836 -6.038 5.904 1.00 0.00 O ATOM 0 H TYR B 21 12.510 -7.901 1.625 1.00 0.00 H new ATOM 0 HA TYR B 21 10.086 -8.495 0.197 1.00 0.00 H new ATOM 0 HB2 TYR B 21 11.710 -5.939 0.473 1.00 0.00 H new ATOM 0 HB3 TYR B 21 10.073 -6.051 -0.140 1.00 0.00 H new ATOM 0 HD1 TYR B 21 8.453 -7.474 1.605 1.00 0.00 H new ATOM 0 HD2 TYR B 21 11.870 -5.069 2.641 1.00 0.00 H new ATOM 0 HE1 TYR B 21 7.605 -7.265 3.926 1.00 0.00 H new ATOM 0 HE2 TYR B 21 11.014 -4.836 4.961 1.00 0.00 H new ATOM 0 HH TYR B 21 9.455 -5.502 6.443 1.00 0.00 H new ATOM 1071 N SER B 22 10.841 -8.611 -2.221 1.00 0.00 N ATOM 1072 CA SER B 22 11.275 -8.696 -3.612 1.00 0.00 C ATOM 1073 C SER B 22 11.403 -7.279 -4.199 1.00 0.00 C ATOM 1074 O SER B 22 10.758 -6.339 -3.724 1.00 0.00 O ATOM 1075 CB SER B 22 10.282 -9.520 -4.430 1.00 0.00 C ATOM 1076 OG SER B 22 9.889 -10.732 -3.815 1.00 0.00 O ATOM 0 H SER B 22 9.934 -9.041 -2.040 1.00 0.00 H new ATOM 0 HA SER B 22 12.246 -9.190 -3.653 1.00 0.00 H new ATOM 0 HB2 SER B 22 9.394 -8.916 -4.618 1.00 0.00 H new ATOM 0 HB3 SER B 22 10.726 -9.745 -5.400 1.00 0.00 H new ATOM 0 HG SER B 22 9.254 -11.202 -4.395 1.00 0.00 H new ATOM 1082 N TYR B 23 12.224 -7.110 -5.240 1.00 0.00 N ATOM 1083 CA TYR B 23 12.426 -5.809 -5.874 1.00 0.00 C ATOM 1084 C TYR B 23 11.101 -5.231 -6.371 1.00 0.00 C ATOM 1085 O TYR B 23 10.805 -4.059 -6.132 1.00 0.00 O ATOM 1086 CB TYR B 23 13.423 -5.931 -7.042 1.00 0.00 C ATOM 1087 CG TYR B 23 13.670 -4.665 -7.865 1.00 0.00 C ATOM 1088 CD1 TYR B 23 13.522 -3.375 -7.315 1.00 0.00 C ATOM 1089 CD2 TYR B 23 14.043 -4.783 -9.217 1.00 0.00 C ATOM 1090 CE1 TYR B 23 13.722 -2.227 -8.103 1.00 0.00 C ATOM 1091 CE2 TYR B 23 14.257 -3.640 -10.012 1.00 0.00 C ATOM 1092 CZ TYR B 23 14.065 -2.351 -9.465 1.00 0.00 C ATOM 1093 OH TYR B 23 14.127 -1.240 -10.250 1.00 0.00 O ATOM 0 H TYR B 23 12.762 -7.866 -5.662 1.00 0.00 H new ATOM 0 HA TYR B 23 12.837 -5.129 -5.128 1.00 0.00 H new ATOM 0 HB2 TYR B 23 14.379 -6.269 -6.641 1.00 0.00 H new ATOM 0 HB3 TYR B 23 13.066 -6.711 -7.715 1.00 0.00 H new ATOM 0 HD1 TYR B 23 13.252 -3.267 -6.275 1.00 0.00 H new ATOM 0 HD2 TYR B 23 14.167 -5.764 -9.651 1.00 0.00 H new ATOM 0 HE1 TYR B 23 13.612 -1.247 -7.663 1.00 0.00 H new ATOM 0 HE2 TYR B 23 14.568 -3.749 -11.040 1.00 0.00 H new ATOM 0 HH TYR B 23 13.260 -0.783 -10.240 1.00 0.00 H new ATOM 1103 N GLN B 24 10.308 -6.047 -7.060 1.00 0.00 N ATOM 1104 CA GLN B 24 9.038 -5.619 -7.610 1.00 0.00 C ATOM 1105 C GLN B 24 8.089 -5.177 -6.507 1.00 0.00 C ATOM 1106 O GLN B 24 7.477 -4.129 -6.647 1.00 0.00 O ATOM 1107 CB GLN B 24 8.419 -6.724 -8.475 1.00 0.00 C ATOM 1108 CG GLN B 24 9.261 -6.926 -9.739 1.00 0.00 C ATOM 1109 CD GLN B 24 8.705 -8.025 -10.637 1.00 0.00 C ATOM 1110 OE1 GLN B 24 8.430 -9.139 -10.195 1.00 0.00 O ATOM 1111 NE2 GLN B 24 8.550 -7.756 -11.918 1.00 0.00 N ATOM 0 H GLN B 24 10.534 -7.023 -7.249 1.00 0.00 H new ATOM 0 HA GLN B 24 9.217 -4.757 -8.253 1.00 0.00 H new ATOM 0 HB2 GLN B 24 8.366 -7.654 -7.910 1.00 0.00 H new ATOM 0 HB3 GLN B 24 7.398 -6.457 -8.746 1.00 0.00 H new ATOM 0 HG2 GLN B 24 9.304 -5.991 -10.297 1.00 0.00 H new ATOM 0 HG3 GLN B 24 10.284 -7.175 -9.455 1.00 0.00 H new ATOM 0 HE21 GLN B 24 8.781 -6.829 -12.276 1.00 0.00 H new ATOM 0 HE22 GLN B 24 8.199 -8.475 -12.551 1.00 0.00 H new ATOM 1120 N ASP B 25 8.003 -5.914 -5.402 1.00 0.00 N ATOM 1121 CA ASP B 25 7.127 -5.566 -4.272 1.00 0.00 C ATOM 1122 C ASP B 25 7.478 -4.142 -3.838 1.00 0.00 C ATOM 1123 O ASP B 25 6.615 -3.273 -3.739 1.00 0.00 O ATOM 1124 CB ASP B 25 7.324 -6.500 -3.061 1.00 0.00 C ATOM 1125 CG ASP B 25 7.070 -7.981 -3.313 1.00 0.00 C ATOM 1126 OD1 ASP B 25 6.491 -8.367 -4.351 1.00 0.00 O ATOM 1127 OD2 ASP B 25 7.498 -8.794 -2.466 1.00 0.00 O ATOM 0 H ASP B 25 8.537 -6.771 -5.259 1.00 0.00 H new ATOM 0 HA ASP B 25 6.092 -5.663 -4.599 1.00 0.00 H new ATOM 0 HB2 ASP B 25 8.346 -6.383 -2.699 1.00 0.00 H new ATOM 0 HB3 ASP B 25 6.662 -6.169 -2.260 1.00 0.00 H new ATOM 1132 N ILE B 26 8.768 -3.863 -3.618 1.00 0.00 N ATOM 1133 CA ILE B 26 9.220 -2.537 -3.207 1.00 0.00 C ATOM 1134 C ILE B 26 8.791 -1.509 -4.267 1.00 0.00 C ATOM 1135 O ILE B 26 8.283 -0.444 -3.919 1.00 0.00 O ATOM 1136 CB ILE B 26 10.741 -2.533 -2.929 1.00 0.00 C ATOM 1137 CG1 ILE B 26 11.162 -3.558 -1.847 1.00 0.00 C ATOM 1138 CG2 ILE B 26 11.171 -1.126 -2.476 1.00 0.00 C ATOM 1139 CD1 ILE B 26 12.633 -3.970 -1.981 1.00 0.00 C ATOM 0 H ILE B 26 9.519 -4.546 -3.720 1.00 0.00 H new ATOM 0 HA ILE B 26 8.750 -2.255 -2.265 1.00 0.00 H new ATOM 0 HB ILE B 26 11.235 -2.818 -3.858 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.995 -3.130 -0.859 1.00 0.00 H new ATOM 0 HG13 ILE B 26 10.530 -4.443 -1.922 1.00 0.00 H new ATOM 0 HG21 ILE B 26 12.243 -1.119 -2.279 1.00 0.00 H new ATOM 0 HG22 ILE B 26 10.942 -0.405 -3.261 1.00 0.00 H new ATOM 0 HG23 ILE B 26 10.633 -0.856 -1.567 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.882 -4.690 -1.201 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.796 -4.424 -2.959 1.00 0.00 H new ATOM 0 HD13 ILE B 26 13.268 -3.090 -1.879 1.00 0.00 H new ATOM 1151 N GLN B 27 8.967 -1.810 -5.556 1.00 0.00 N ATOM 1152 CA GLN B 27 8.583 -0.914 -6.641 1.00 0.00 C ATOM 1153 C GLN B 27 7.077 -0.612 -6.609 1.00 0.00 C ATOM 1154 O GLN B 27 6.699 0.559 -6.724 1.00 0.00 O ATOM 1155 CB GLN B 27 8.966 -1.507 -8.010 1.00 0.00 C ATOM 1156 CG GLN B 27 10.470 -1.641 -8.285 1.00 0.00 C ATOM 1157 CD GLN B 27 11.057 -0.444 -9.029 1.00 0.00 C ATOM 1158 OE1 GLN B 27 11.538 -0.561 -10.157 1.00 0.00 O ATOM 1159 NE2 GLN B 27 11.092 0.719 -8.408 1.00 0.00 N ATOM 0 H GLN B 27 9.382 -2.686 -5.874 1.00 0.00 H new ATOM 0 HA GLN B 27 9.127 0.019 -6.497 1.00 0.00 H new ATOM 0 HB2 GLN B 27 8.511 -2.494 -8.097 1.00 0.00 H new ATOM 0 HB3 GLN B 27 8.528 -0.884 -8.790 1.00 0.00 H new ATOM 0 HG2 GLN B 27 10.996 -1.765 -7.338 1.00 0.00 H new ATOM 0 HG3 GLN B 27 10.647 -2.545 -8.868 1.00 0.00 H new ATOM 0 HE21 GLN B 27 10.692 0.811 -7.474 1.00 0.00 H new ATOM 0 HE22 GLN B 27 11.519 1.527 -8.862 1.00 0.00 H new ATOM 1168 N LYS B 28 6.219 -1.627 -6.472 1.00 0.00 N ATOM 1169 CA LYS B 28 4.768 -1.460 -6.424 1.00 0.00 C ATOM 1170 C LYS B 28 4.394 -0.609 -5.221 1.00 0.00 C ATOM 1171 O LYS B 28 3.596 0.319 -5.357 1.00 0.00 O ATOM 1172 CB LYS B 28 4.041 -2.820 -6.369 1.00 0.00 C ATOM 1173 CG LYS B 28 3.792 -3.437 -7.749 1.00 0.00 C ATOM 1174 CD LYS B 28 4.985 -4.227 -8.285 1.00 0.00 C ATOM 1175 CE LYS B 28 4.688 -4.837 -9.650 1.00 0.00 C ATOM 1176 NZ LYS B 28 4.533 -3.799 -10.684 1.00 0.00 N ATOM 0 H LYS B 28 6.519 -2.599 -6.391 1.00 0.00 H new ATOM 0 HA LYS B 28 4.451 -0.958 -7.338 1.00 0.00 H new ATOM 0 HB2 LYS B 28 4.631 -3.514 -5.771 1.00 0.00 H new ATOM 0 HB3 LYS B 28 3.086 -2.692 -5.859 1.00 0.00 H new ATOM 0 HG2 LYS B 28 2.925 -4.095 -7.693 1.00 0.00 H new ATOM 0 HG3 LYS B 28 3.545 -2.644 -8.454 1.00 0.00 H new ATOM 0 HD2 LYS B 28 5.852 -3.571 -8.360 1.00 0.00 H new ATOM 0 HD3 LYS B 28 5.244 -5.018 -7.581 1.00 0.00 H new ATOM 0 HE2 LYS B 28 5.495 -5.514 -9.931 1.00 0.00 H new ATOM 0 HE3 LYS B 28 3.778 -5.434 -9.593 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 3.526 -3.691 -10.919 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 4.904 -2.895 -10.327 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 5.059 -4.077 -11.537 1.00 0.00 H new ATOM 1190 N ALA B 29 4.954 -0.912 -4.051 1.00 0.00 N ATOM 1191 CA ALA B 29 4.670 -0.155 -2.847 1.00 0.00 C ATOM 1192 C ALA B 29 5.091 1.304 -3.036 1.00 0.00 C ATOM 1193 O ALA B 29 4.323 2.193 -2.694 1.00 0.00 O ATOM 1194 CB ALA B 29 5.361 -0.797 -1.641 1.00 0.00 C ATOM 0 H ALA B 29 5.610 -1.682 -3.918 1.00 0.00 H new ATOM 0 HA ALA B 29 3.597 -0.169 -2.654 1.00 0.00 H new ATOM 0 HB1 ALA B 29 5.139 -0.219 -0.744 1.00 0.00 H new ATOM 0 HB2 ALA B 29 4.998 -1.817 -1.514 1.00 0.00 H new ATOM 0 HB3 ALA B 29 6.438 -0.813 -1.805 1.00 0.00 H new ATOM 1200 N LEU B 30 6.267 1.572 -3.613 1.00 0.00 N ATOM 1201 CA LEU B 30 6.767 2.927 -3.825 1.00 0.00 C ATOM 1202 C LEU B 30 5.900 3.748 -4.765 1.00 0.00 C ATOM 1203 O LEU B 30 5.613 4.905 -4.453 1.00 0.00 O ATOM 1204 CB LEU B 30 8.206 2.911 -4.368 1.00 0.00 C ATOM 1205 CG LEU B 30 9.273 2.662 -3.292 1.00 0.00 C ATOM 1206 CD1 LEU B 30 10.643 2.515 -3.958 1.00 0.00 C ATOM 1207 CD2 LEU B 30 9.332 3.827 -2.297 1.00 0.00 C ATOM 0 H LEU B 30 6.901 0.846 -3.947 1.00 0.00 H new ATOM 0 HA LEU B 30 6.740 3.400 -2.843 1.00 0.00 H new ATOM 0 HB2 LEU B 30 8.287 2.138 -5.132 1.00 0.00 H new ATOM 0 HB3 LEU B 30 8.411 3.864 -4.856 1.00 0.00 H new ATOM 0 HG LEU B 30 9.009 1.751 -2.755 1.00 0.00 H new ATOM 0 HD11 LEU B 30 11.401 2.338 -3.195 1.00 0.00 H new ATOM 0 HD12 LEU B 30 10.622 1.674 -4.651 1.00 0.00 H new ATOM 0 HD13 LEU B 30 10.883 3.428 -4.503 1.00 0.00 H new ATOM 0 HD21 LEU B 30 10.095 3.625 -1.546 1.00 0.00 H new ATOM 0 HD22 LEU B 30 9.579 4.747 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU B 30 8.364 3.938 -1.809 1.00 0.00 H new ATOM 1219 N VAL B 31 5.510 3.196 -5.916 1.00 0.00 N ATOM 1220 CA VAL B 31 4.693 3.938 -6.868 1.00 0.00 C ATOM 1221 C VAL B 31 3.321 4.250 -6.249 1.00 0.00 C ATOM 1222 O VAL B 31 2.918 5.416 -6.262 1.00 0.00 O ATOM 1223 CB VAL B 31 4.704 3.238 -8.245 1.00 0.00 C ATOM 1224 CG1 VAL B 31 3.920 1.933 -8.302 1.00 0.00 C ATOM 1225 CG2 VAL B 31 4.202 4.138 -9.376 1.00 0.00 C ATOM 0 H VAL B 31 5.746 2.247 -6.206 1.00 0.00 H new ATOM 0 HA VAL B 31 5.114 4.921 -7.081 1.00 0.00 H new ATOM 0 HB VAL B 31 5.760 3.008 -8.388 1.00 0.00 H new ATOM 0 HG11 VAL B 31 3.984 1.514 -9.306 1.00 0.00 H new ATOM 0 HG12 VAL B 31 4.338 1.226 -7.586 1.00 0.00 H new ATOM 0 HG13 VAL B 31 2.876 2.125 -8.055 1.00 0.00 H new ATOM 0 HG21 VAL B 31 4.233 3.590 -10.318 1.00 0.00 H new ATOM 0 HG22 VAL B 31 3.177 4.445 -9.169 1.00 0.00 H new ATOM 0 HG23 VAL B 31 4.838 5.021 -9.448 1.00 0.00 H new ATOM 1235 N ILE B 32 2.658 3.262 -5.628 1.00 0.00 N ATOM 1236 CA ILE B 32 1.348 3.452 -4.998 1.00 0.00 C ATOM 1237 C ILE B 32 1.489 4.417 -3.813 1.00 0.00 C ATOM 1238 O ILE B 32 0.607 5.242 -3.587 1.00 0.00 O ATOM 1239 CB ILE B 32 0.704 2.088 -4.631 1.00 0.00 C ATOM 1240 CG1 ILE B 32 0.526 1.166 -5.871 1.00 0.00 C ATOM 1241 CG2 ILE B 32 -0.680 2.334 -4.004 1.00 0.00 C ATOM 1242 CD1 ILE B 32 0.295 -0.332 -5.585 1.00 0.00 C ATOM 0 H ILE B 32 3.017 2.311 -5.550 1.00 0.00 H new ATOM 0 HA ILE B 32 0.655 3.913 -5.701 1.00 0.00 H new ATOM 0 HB ILE B 32 1.374 1.589 -3.930 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -0.317 1.536 -6.454 1.00 0.00 H new ATOM 0 HG13 ILE B 32 1.413 1.261 -6.498 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -1.137 1.379 -3.744 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -0.570 2.940 -3.105 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -1.315 2.858 -4.718 1.00 0.00 H new ATOM 0 HD11 ILE B 32 0.186 -0.870 -6.527 1.00 0.00 H new ATOM 0 HD12 ILE B 32 1.146 -0.733 -5.035 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -0.611 -0.454 -4.991 1.00 0.00 H new ATOM 1254 N ALA B 33 2.605 4.378 -3.076 1.00 0.00 N ATOM 1255 CA ALA B 33 2.855 5.262 -1.946 1.00 0.00 C ATOM 1256 C ALA B 33 3.251 6.674 -2.399 1.00 0.00 C ATOM 1257 O ALA B 33 3.527 7.520 -1.548 1.00 0.00 O ATOM 1258 CB ALA B 33 3.945 4.691 -1.042 1.00 0.00 C ATOM 0 H ALA B 33 3.365 3.722 -3.255 1.00 0.00 H new ATOM 0 HA ALA B 33 1.922 5.333 -1.387 1.00 0.00 H new ATOM 0 HB1 ALA B 33 4.115 5.368 -0.205 1.00 0.00 H new ATOM 0 HB2 ALA B 33 3.631 3.718 -0.664 1.00 0.00 H new ATOM 0 HB3 ALA B 33 4.868 4.579 -1.611 1.00 0.00 H new ATOM 1264 N HIS B 34 3.284 6.946 -3.706 1.00 0.00 N ATOM 1265 CA HIS B 34 3.645 8.220 -4.308 1.00 0.00 C ATOM 1266 C HIS B 34 5.084 8.597 -3.940 1.00 0.00 C ATOM 1267 O HIS B 34 5.333 9.677 -3.412 1.00 0.00 O ATOM 1268 CB HIS B 34 2.619 9.320 -3.964 1.00 0.00 C ATOM 1269 CG HIS B 34 1.175 9.023 -4.289 1.00 0.00 C ATOM 1270 ND1 HIS B 34 0.094 9.706 -3.781 1.00 0.00 N ATOM 1271 CD2 HIS B 34 0.696 8.109 -5.189 1.00 0.00 C ATOM 1272 CE1 HIS B 34 -1.010 9.235 -4.373 1.00 0.00 C ATOM 1273 NE2 HIS B 34 -0.694 8.286 -5.276 1.00 0.00 N ATOM 0 H HIS B 34 3.046 6.242 -4.405 1.00 0.00 H new ATOM 0 HA HIS B 34 3.613 8.117 -5.393 1.00 0.00 H new ATOM 0 HB2 HIS B 34 2.691 9.532 -2.897 1.00 0.00 H new ATOM 0 HB3 HIS B 34 2.906 10.230 -4.490 1.00 0.00 H new ATOM 0 HD2 HIS B 34 1.282 7.383 -5.734 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -2.014 9.569 -4.157 1.00 0.00 H new ATOM 0 HE2 HIS B 34 -1.336 7.795 -5.898 1.00 0.00 H new ATOM 1281 N ASN B 35 6.047 7.722 -4.249 1.00 0.00 N ATOM 1282 CA ASN B 35 7.487 7.886 -3.999 1.00 0.00 C ATOM 1283 C ASN B 35 7.824 8.141 -2.523 1.00 0.00 C ATOM 1284 O ASN B 35 8.798 8.836 -2.225 1.00 0.00 O ATOM 1285 CB ASN B 35 8.107 8.989 -4.888 1.00 0.00 C ATOM 1286 CG ASN B 35 8.040 8.772 -6.387 1.00 0.00 C ATOM 1287 OD1 ASN B 35 7.635 7.720 -6.880 1.00 0.00 O ATOM 1288 ND2 ASN B 35 8.443 9.775 -7.149 1.00 0.00 N ATOM 0 H ASN B 35 5.834 6.834 -4.704 1.00 0.00 H new ATOM 0 HA ASN B 35 7.934 6.929 -4.269 1.00 0.00 H new ATOM 0 HB2 ASN B 35 7.610 9.931 -4.658 1.00 0.00 H new ATOM 0 HB3 ASN B 35 9.154 9.104 -4.607 1.00 0.00 H new ATOM 0 HD21 ASN B 35 8.421 9.684 -8.165 1.00 0.00 H new ATOM 0 HD22 ASN B 35 8.775 10.639 -6.721 1.00 0.00 H new ATOM 1295 N ASN B 36 7.019 7.623 -1.591 1.00 0.00 N ATOM 1296 CA ASN B 36 7.233 7.790 -0.156 1.00 0.00 C ATOM 1297 C ASN B 36 7.741 6.462 0.405 1.00 0.00 C ATOM 1298 O ASN B 36 6.954 5.526 0.559 1.00 0.00 O ATOM 1299 CB ASN B 36 5.931 8.239 0.520 1.00 0.00 C ATOM 1300 CG ASN B 36 6.134 8.556 1.997 1.00 0.00 C ATOM 1301 OD1 ASN B 36 6.911 7.909 2.689 1.00 0.00 O ATOM 1302 ND2 ASN B 36 5.407 9.526 2.519 1.00 0.00 N ATOM 0 H ASN B 36 6.192 7.070 -1.817 1.00 0.00 H new ATOM 0 HA ASN B 36 7.976 8.564 0.040 1.00 0.00 H new ATOM 0 HB2 ASN B 36 5.543 9.121 0.010 1.00 0.00 H new ATOM 0 HB3 ASN B 36 5.180 7.455 0.417 1.00 0.00 H new ATOM 0 HD21 ASN B 36 5.488 9.746 3.512 1.00 0.00 H new ATOM 0 HD22 ASN B 36 4.765 10.056 1.930 1.00 0.00 H new ATOM 1309 N ILE B 37 9.043 6.362 0.688 1.00 0.00 N ATOM 1310 CA ILE B 37 9.662 5.143 1.214 1.00 0.00 C ATOM 1311 C ILE B 37 9.074 4.722 2.568 1.00 0.00 C ATOM 1312 O ILE B 37 8.922 3.528 2.805 1.00 0.00 O ATOM 1313 CB ILE B 37 11.205 5.312 1.264 1.00 0.00 C ATOM 1314 CG1 ILE B 37 11.997 4.028 1.600 1.00 0.00 C ATOM 1315 CG2 ILE B 37 11.640 6.406 2.251 1.00 0.00 C ATOM 1316 CD1 ILE B 37 12.095 3.025 0.446 1.00 0.00 C ATOM 0 H ILE B 37 9.701 7.130 0.557 1.00 0.00 H new ATOM 0 HA ILE B 37 9.431 4.324 0.532 1.00 0.00 H new ATOM 0 HB ILE B 37 11.450 5.593 0.240 1.00 0.00 H new ATOM 0 HG12 ILE B 37 13.004 4.307 1.909 1.00 0.00 H new ATOM 0 HG13 ILE B 37 11.526 3.538 2.452 1.00 0.00 H new ATOM 0 HG21 ILE B 37 12.727 6.486 2.250 1.00 0.00 H new ATOM 0 HG22 ILE B 37 11.206 7.360 1.951 1.00 0.00 H new ATOM 0 HG23 ILE B 37 11.296 6.150 3.253 1.00 0.00 H new ATOM 0 HD11 ILE B 37 12.667 2.155 0.768 1.00 0.00 H new ATOM 0 HD12 ILE B 37 11.094 2.712 0.150 1.00 0.00 H new ATOM 0 HD13 ILE B 37 12.595 3.494 -0.402 1.00 0.00 H new ATOM 1328 N GLU B 38 8.737 5.658 3.458 1.00 0.00 N ATOM 1329 CA GLU B 38 8.197 5.373 4.792 1.00 0.00 C ATOM 1330 C GLU B 38 6.774 4.817 4.737 1.00 0.00 C ATOM 1331 O GLU B 38 6.380 3.968 5.543 1.00 0.00 O ATOM 1332 CB GLU B 38 8.179 6.664 5.622 1.00 0.00 C ATOM 1333 CG GLU B 38 9.531 7.381 5.719 1.00 0.00 C ATOM 1334 CD GLU B 38 10.648 6.533 6.330 1.00 0.00 C ATOM 1335 OE1 GLU B 38 10.379 5.645 7.171 1.00 0.00 O ATOM 1336 OE2 GLU B 38 11.829 6.843 6.057 1.00 0.00 O ATOM 0 H GLU B 38 8.833 6.656 3.269 1.00 0.00 H new ATOM 0 HA GLU B 38 8.841 4.620 5.246 1.00 0.00 H new ATOM 0 HB2 GLU B 38 7.450 7.349 5.188 1.00 0.00 H new ATOM 0 HB3 GLU B 38 7.835 6.428 6.629 1.00 0.00 H new ATOM 0 HG2 GLU B 38 9.834 7.697 4.721 1.00 0.00 H new ATOM 0 HG3 GLU B 38 9.408 8.285 6.316 1.00 0.00 H new ATOM 1343 N MET B 39 5.982 5.328 3.797 1.00 0.00 N ATOM 1344 CA MET B 39 4.607 4.921 3.566 1.00 0.00 C ATOM 1345 C MET B 39 4.667 3.546 2.907 1.00 0.00 C ATOM 1346 O MET B 39 4.035 2.606 3.385 1.00 0.00 O ATOM 1347 CB MET B 39 3.927 6.000 2.721 1.00 0.00 C ATOM 1348 CG MET B 39 2.403 5.938 2.644 1.00 0.00 C ATOM 1349 SD MET B 39 1.710 7.518 2.051 1.00 0.00 S ATOM 1350 CE MET B 39 -0.042 7.432 2.523 1.00 0.00 C ATOM 0 H MET B 39 6.294 6.059 3.158 1.00 0.00 H new ATOM 0 HA MET B 39 4.011 4.828 4.474 1.00 0.00 H new ATOM 0 HB2 MET B 39 4.210 6.975 3.118 1.00 0.00 H new ATOM 0 HB3 MET B 39 4.324 5.941 1.707 1.00 0.00 H new ATOM 0 HG2 MET B 39 2.102 5.132 1.975 1.00 0.00 H new ATOM 0 HG3 MET B 39 1.995 5.705 3.628 1.00 0.00 H new ATOM 0 HE1 MET B 39 -0.495 8.418 2.421 1.00 0.00 H new ATOM 0 HE2 MET B 39 -0.559 6.726 1.874 1.00 0.00 H new ATOM 0 HE3 MET B 39 -0.124 7.100 3.558 1.00 0.00 H new ATOM 1360 N ALA B 40 5.492 3.398 1.864 1.00 0.00 N ATOM 1361 CA ALA B 40 5.677 2.147 1.145 1.00 0.00 C ATOM 1362 C ALA B 40 6.181 1.061 2.100 1.00 0.00 C ATOM 1363 O ALA B 40 5.732 -0.081 2.025 1.00 0.00 O ATOM 1364 CB ALA B 40 6.656 2.365 -0.008 1.00 0.00 C ATOM 0 H ALA B 40 6.057 4.163 1.495 1.00 0.00 H new ATOM 0 HA ALA B 40 4.724 1.815 0.734 1.00 0.00 H new ATOM 0 HB1 ALA B 40 6.796 1.429 -0.548 1.00 0.00 H new ATOM 0 HB2 ALA B 40 6.257 3.119 -0.686 1.00 0.00 H new ATOM 0 HB3 ALA B 40 7.614 2.703 0.387 1.00 0.00 H new ATOM 1370 N LYS B 41 7.087 1.404 3.025 1.00 0.00 N ATOM 1371 CA LYS B 41 7.627 0.475 4.015 1.00 0.00 C ATOM 1372 C LYS B 41 6.474 -0.141 4.798 1.00 0.00 C ATOM 1373 O LYS B 41 6.473 -1.355 5.009 1.00 0.00 O ATOM 1374 CB LYS B 41 8.607 1.196 4.957 1.00 0.00 C ATOM 1375 CG LYS B 41 10.056 1.081 4.474 1.00 0.00 C ATOM 1376 CD LYS B 41 11.039 1.835 5.382 1.00 0.00 C ATOM 1377 CE LYS B 41 12.435 1.790 4.760 1.00 0.00 C ATOM 1378 NZ LYS B 41 13.512 2.283 5.646 1.00 0.00 N ATOM 0 H LYS B 41 7.467 2.347 3.104 1.00 0.00 H new ATOM 0 HA LYS B 41 8.180 -0.316 3.508 1.00 0.00 H new ATOM 0 HB2 LYS B 41 8.332 2.248 5.030 1.00 0.00 H new ATOM 0 HB3 LYS B 41 8.524 0.774 5.959 1.00 0.00 H new ATOM 0 HG2 LYS B 41 10.339 0.029 4.431 1.00 0.00 H new ATOM 0 HG3 LYS B 41 10.130 1.473 3.459 1.00 0.00 H new ATOM 0 HD2 LYS B 41 10.717 2.869 5.507 1.00 0.00 H new ATOM 0 HD3 LYS B 41 11.055 1.384 6.374 1.00 0.00 H new ATOM 0 HE2 LYS B 41 12.659 0.763 4.472 1.00 0.00 H new ATOM 0 HE3 LYS B 41 12.432 2.384 3.846 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 14.425 2.220 5.151 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 13.325 3.274 5.902 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 13.545 1.703 6.509 1.00 0.00 H new ATOM 1392 N ASN B 42 5.491 0.663 5.208 1.00 0.00 N ATOM 1393 CA ASN B 42 4.341 0.154 5.943 1.00 0.00 C ATOM 1394 C ASN B 42 3.518 -0.783 5.063 1.00 0.00 C ATOM 1395 O ASN B 42 2.998 -1.767 5.579 1.00 0.00 O ATOM 1396 CB ASN B 42 3.462 1.288 6.485 1.00 0.00 C ATOM 1397 CG ASN B 42 3.899 1.821 7.841 1.00 0.00 C ATOM 1398 OD1 ASN B 42 4.728 1.247 8.545 1.00 0.00 O ATOM 1399 ND2 ASN B 42 3.336 2.948 8.229 1.00 0.00 N ATOM 0 H ASN B 42 5.472 1.669 5.041 1.00 0.00 H new ATOM 0 HA ASN B 42 4.721 -0.404 6.799 1.00 0.00 H new ATOM 0 HB2 ASN B 42 3.463 2.108 5.767 1.00 0.00 H new ATOM 0 HB3 ASN B 42 2.435 0.932 6.561 1.00 0.00 H new ATOM 0 HD21 ASN B 42 3.586 3.360 9.128 1.00 0.00 H new ATOM 0 HD22 ASN B 42 2.651 3.408 7.630 1.00 0.00 H new ATOM 1406 N ILE B 43 3.387 -0.523 3.758 1.00 0.00 N ATOM 1407 CA ILE B 43 2.627 -1.410 2.873 1.00 0.00 C ATOM 1408 C ILE B 43 3.309 -2.779 2.917 1.00 0.00 C ATOM 1409 O ILE B 43 2.666 -3.797 3.180 1.00 0.00 O ATOM 1410 CB ILE B 43 2.534 -0.861 1.429 1.00 0.00 C ATOM 1411 CG1 ILE B 43 1.915 0.553 1.406 1.00 0.00 C ATOM 1412 CG2 ILE B 43 1.699 -1.835 0.585 1.00 0.00 C ATOM 1413 CD1 ILE B 43 1.890 1.244 0.042 1.00 0.00 C ATOM 0 H ILE B 43 3.795 0.289 3.294 1.00 0.00 H new ATOM 0 HA ILE B 43 1.595 -1.485 3.216 1.00 0.00 H new ATOM 0 HB ILE B 43 3.537 -0.778 1.011 1.00 0.00 H new ATOM 0 HG12 ILE B 43 0.893 0.488 1.779 1.00 0.00 H new ATOM 0 HG13 ILE B 43 2.469 1.183 2.102 1.00 0.00 H new ATOM 0 HG21 ILE B 43 1.625 -1.460 -0.436 1.00 0.00 H new ATOM 0 HG22 ILE B 43 2.178 -2.814 0.579 1.00 0.00 H new ATOM 0 HG23 ILE B 43 0.700 -1.923 1.013 1.00 0.00 H new ATOM 0 HD11 ILE B 43 1.435 2.229 0.142 1.00 0.00 H new ATOM 0 HD12 ILE B 43 2.909 1.351 -0.330 1.00 0.00 H new ATOM 0 HD13 ILE B 43 1.308 0.645 -0.659 1.00 0.00 H new ATOM 1425 N LEU B 44 4.628 -2.785 2.708 1.00 0.00 N ATOM 1426 CA LEU B 44 5.431 -3.995 2.712 1.00 0.00 C ATOM 1427 C LEU B 44 5.371 -4.713 4.058 1.00 0.00 C ATOM 1428 O LEU B 44 5.328 -5.935 4.077 1.00 0.00 O ATOM 1429 CB LEU B 44 6.900 -3.679 2.383 1.00 0.00 C ATOM 1430 CG LEU B 44 7.164 -3.111 0.980 1.00 0.00 C ATOM 1431 CD1 LEU B 44 8.647 -2.736 0.876 1.00 0.00 C ATOM 1432 CD2 LEU B 44 6.794 -4.100 -0.129 1.00 0.00 C ATOM 0 H LEU B 44 5.167 -1.938 2.530 1.00 0.00 H new ATOM 0 HA LEU B 44 5.013 -4.649 1.947 1.00 0.00 H new ATOM 0 HB2 LEU B 44 7.272 -2.966 3.119 1.00 0.00 H new ATOM 0 HB3 LEU B 44 7.483 -4.592 2.500 1.00 0.00 H new ATOM 0 HG LEU B 44 6.533 -2.233 0.842 1.00 0.00 H new ATOM 0 HD11 LEU B 44 8.851 -2.331 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU B 44 8.887 -1.987 1.631 1.00 0.00 H new ATOM 0 HD13 LEU B 44 9.259 -3.623 1.038 1.00 0.00 H new ATOM 0 HD21 LEU B 44 6.999 -3.651 -1.101 1.00 0.00 H new ATOM 0 HD22 LEU B 44 7.385 -5.009 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU B 44 5.734 -4.345 -0.059 1.00 0.00 H new ATOM 1444 N ARG B 45 5.348 -3.994 5.182 1.00 0.00 N ATOM 1445 CA ARG B 45 5.321 -4.620 6.502 1.00 0.00 C ATOM 1446 C ARG B 45 4.014 -5.352 6.821 1.00 0.00 C ATOM 1447 O ARG B 45 4.073 -6.350 7.537 1.00 0.00 O ATOM 1448 CB ARG B 45 5.699 -3.586 7.585 1.00 0.00 C ATOM 1449 CG ARG B 45 4.517 -2.955 8.315 1.00 0.00 C ATOM 1450 CD ARG B 45 4.898 -1.720 9.119 1.00 0.00 C ATOM 1451 NE ARG B 45 5.290 -2.020 10.497 1.00 0.00 N ATOM 1452 CZ ARG B 45 5.874 -1.119 11.291 1.00 0.00 C ATOM 1453 NH1 ARG B 45 6.234 0.078 10.832 1.00 0.00 N ATOM 1454 NH2 ARG B 45 6.112 -1.400 12.563 1.00 0.00 N ATOM 0 H ARG B 45 5.348 -2.974 5.202 1.00 0.00 H new ATOM 0 HA ARG B 45 6.072 -5.410 6.494 1.00 0.00 H new ATOM 0 HB2 ARG B 45 6.343 -4.070 8.319 1.00 0.00 H new ATOM 0 HB3 ARG B 45 6.285 -2.793 7.120 1.00 0.00 H new ATOM 0 HG2 ARG B 45 3.751 -2.685 7.588 1.00 0.00 H new ATOM 0 HG3 ARG B 45 4.075 -3.694 8.984 1.00 0.00 H new ATOM 0 HD2 ARG B 45 5.721 -1.209 8.618 1.00 0.00 H new ATOM 0 HD3 ARG B 45 4.055 -1.030 9.131 1.00 0.00 H new ATOM 0 HE ARG B 45 5.110 -2.954 10.865 1.00 0.00 H new ATOM 0 HH11 ARG B 45 6.065 0.322 9.856 1.00 0.00 H new ATOM 0 HH12 ARG B 45 6.679 0.751 11.456 1.00 0.00 H new ATOM 0 HH21 ARG B 45 5.849 -2.310 12.942 1.00 0.00 H new ATOM 0 HH22 ARG B 45 6.558 -0.707 13.164 1.00 0.00 H new ATOM 1468 N GLU B 46 2.870 -4.866 6.325 1.00 0.00 N ATOM 1469 CA GLU B 46 1.561 -5.468 6.589 1.00 0.00 C ATOM 1470 C GLU B 46 1.150 -6.481 5.509 1.00 0.00 C ATOM 1471 O GLU B 46 0.809 -7.616 5.834 1.00 0.00 O ATOM 1472 CB GLU B 46 0.469 -4.390 6.736 1.00 0.00 C ATOM 1473 CG GLU B 46 0.696 -3.290 7.790 1.00 0.00 C ATOM 1474 CD GLU B 46 0.741 -3.739 9.253 1.00 0.00 C ATOM 1475 OE1 GLU B 46 -0.325 -4.090 9.807 1.00 0.00 O ATOM 1476 OE2 GLU B 46 1.803 -3.572 9.893 1.00 0.00 O ATOM 0 H GLU B 46 2.828 -4.041 5.727 1.00 0.00 H new ATOM 0 HA GLU B 46 1.659 -6.008 7.531 1.00 0.00 H new ATOM 0 HB2 GLU B 46 0.340 -3.907 5.767 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -0.470 -4.892 6.970 1.00 0.00 H new ATOM 0 HG2 GLU B 46 1.635 -2.786 7.560 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -0.097 -2.550 7.685 1.00 0.00 H new ATOM 1483 N PHE B 47 1.166 -6.092 4.227 1.00 0.00 N ATOM 1484 CA PHE B 47 0.768 -6.973 3.126 1.00 0.00 C ATOM 1485 C PHE B 47 1.867 -7.967 2.772 1.00 0.00 C ATOM 1486 O PHE B 47 1.630 -9.173 2.683 1.00 0.00 O ATOM 1487 CB PHE B 47 0.352 -6.152 1.897 1.00 0.00 C ATOM 1488 CG PHE B 47 -0.986 -5.457 2.067 1.00 0.00 C ATOM 1489 CD1 PHE B 47 -2.174 -6.162 1.793 1.00 0.00 C ATOM 1490 CD2 PHE B 47 -1.059 -4.138 2.558 1.00 0.00 C ATOM 1491 CE1 PHE B 47 -3.424 -5.567 2.017 1.00 0.00 C ATOM 1492 CE2 PHE B 47 -2.313 -3.541 2.781 1.00 0.00 C ATOM 1493 CZ PHE B 47 -3.493 -4.258 2.516 1.00 0.00 C ATOM 0 H PHE B 47 1.454 -5.161 3.927 1.00 0.00 H new ATOM 0 HA PHE B 47 -0.094 -7.550 3.462 1.00 0.00 H new ATOM 0 HB2 PHE B 47 1.118 -5.405 1.691 1.00 0.00 H new ATOM 0 HB3 PHE B 47 0.305 -6.809 1.028 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -2.122 -7.169 1.407 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -0.153 -3.586 2.763 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -4.330 -6.115 1.806 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -2.369 -2.530 3.156 1.00 0.00 H new ATOM 0 HZ PHE B 47 -4.454 -3.800 2.697 1.00 0.00 H new ATOM 1503 N SER B 48 3.076 -7.459 2.548 1.00 0.00 N ATOM 1504 CA SER B 48 4.247 -8.252 2.194 1.00 0.00 C ATOM 1505 C SER B 48 4.967 -8.762 3.463 1.00 0.00 C ATOM 1506 O SER B 48 6.134 -9.156 3.397 1.00 0.00 O ATOM 1507 CB SER B 48 5.134 -7.398 1.266 1.00 0.00 C ATOM 1508 OG SER B 48 5.483 -8.083 0.079 1.00 0.00 O ATOM 0 H SER B 48 3.272 -6.460 2.609 1.00 0.00 H new ATOM 0 HA SER B 48 3.967 -9.155 1.651 1.00 0.00 H new ATOM 0 HB2 SER B 48 4.609 -6.478 1.011 1.00 0.00 H new ATOM 0 HB3 SER B 48 6.041 -7.111 1.797 1.00 0.00 H new ATOM 0 HG SER B 48 6.043 -7.505 -0.480 1.00 0.00 H new ATOM 1514 N GLY B 49 4.312 -8.730 4.626 1.00 0.00 N ATOM 1515 CA GLY B 49 4.847 -9.165 5.904 1.00 0.00 C ATOM 1516 C GLY B 49 3.766 -9.876 6.718 1.00 0.00 C ATOM 1517 O GLY B 49 2.646 -10.053 6.231 1.00 0.00 O ATOM 0 H GLY B 49 3.355 -8.385 4.698 1.00 0.00 H new ATOM 0 HA2 GLY B 49 5.691 -9.836 5.743 1.00 0.00 H new ATOM 0 HA3 GLY B 49 5.224 -8.306 6.459 1.00 0.00 H new ATOM 1521 N PRO B 50 4.087 -10.307 7.945 1.00 0.00 N ATOM 1522 CA PRO B 50 3.153 -11.006 8.815 1.00 0.00 C ATOM 1523 C PRO B 50 2.037 -10.089 9.338 1.00 0.00 C ATOM 1524 O PRO B 50 2.273 -9.208 10.176 1.00 0.00 O ATOM 1525 CB PRO B 50 4.017 -11.583 9.941 1.00 0.00 C ATOM 1526 CG PRO B 50 5.200 -10.620 10.032 1.00 0.00 C ATOM 1527 CD PRO B 50 5.384 -10.149 8.591 1.00 0.00 C ATOM 0 HA PRO B 50 2.617 -11.790 8.281 1.00 0.00 H new ATOM 0 HB2 PRO B 50 3.468 -11.630 10.881 1.00 0.00 H new ATOM 0 HB3 PRO B 50 4.345 -12.597 9.713 1.00 0.00 H new ATOM 0 HG2 PRO B 50 4.990 -9.787 10.703 1.00 0.00 H new ATOM 0 HG3 PRO B 50 6.094 -11.116 10.410 1.00 0.00 H new ATOM 0 HD2 PRO B 50 5.711 -9.110 8.560 1.00 0.00 H new ATOM 0 HD3 PRO B 50 6.147 -10.739 8.083 1.00 0.00 H new ATOM 1535 N SER B 51 0.816 -10.280 8.839 1.00 0.00 N ATOM 1536 CA SER B 51 -0.373 -9.538 9.235 1.00 0.00 C ATOM 1537 C SER B 51 -0.888 -10.194 10.525 1.00 0.00 C ATOM 1538 O SER B 51 -1.947 -10.826 10.551 1.00 0.00 O ATOM 1539 CB SER B 51 -1.382 -9.555 8.079 1.00 0.00 C ATOM 1540 OG SER B 51 -1.488 -10.849 7.506 1.00 0.00 O ATOM 0 H SER B 51 0.625 -10.981 8.123 1.00 0.00 H new ATOM 0 HA SER B 51 -0.177 -8.486 9.441 1.00 0.00 H new ATOM 0 HB2 SER B 51 -2.359 -9.234 8.441 1.00 0.00 H new ATOM 0 HB3 SER B 51 -1.075 -8.841 7.315 1.00 0.00 H new ATOM 0 HG SER B 51 -2.139 -10.830 6.774 1.00 0.00 H new ATOM 1546 N SER B 52 -0.101 -10.049 11.593 1.00 0.00 N ATOM 1547 CA SER B 52 -0.323 -10.579 12.928 1.00 0.00 C ATOM 1548 C SER B 52 -1.735 -10.278 13.434 1.00 0.00 C ATOM 1549 O SER B 52 -2.436 -11.197 13.856 1.00 0.00 O ATOM 1550 CB SER B 52 0.780 -10.016 13.831 1.00 0.00 C ATOM 1551 OG SER B 52 0.755 -10.573 15.126 1.00 0.00 O ATOM 0 H SER B 52 0.769 -9.519 11.537 1.00 0.00 H new ATOM 0 HA SER B 52 -0.264 -11.667 12.926 1.00 0.00 H new ATOM 0 HB2 SER B 52 1.751 -10.208 13.375 1.00 0.00 H new ATOM 0 HB3 SER B 52 0.670 -8.934 13.902 1.00 0.00 H new ATOM 0 HG SER B 52 1.477 -10.185 15.663 1.00 0.00 H new ATOM 1557 N GLY B 53 -2.175 -9.024 13.366 1.00 0.00 N ATOM 1558 CA GLY B 53 -3.493 -8.593 13.793 1.00 0.00 C ATOM 1559 C GLY B 53 -3.932 -7.536 12.818 1.00 0.00 C ATOM 1560 O GLY B 53 -3.183 -6.550 12.656 1.00 0.00 O ATOM 0 H GLY B 53 -1.604 -8.262 13.001 1.00 0.00 H new ATOM 0 HA2 GLY B 53 -4.192 -9.430 13.799 1.00 0.00 H new ATOM 0 HA3 GLY B 53 -3.462 -8.196 14.808 1.00 0.00 H new TER 1564 GLY B 53