USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 777 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 111 SER OG : rot 88:sc= 1.45 USER MOD Set 1.2: A 116 HIS : no HD1:sc= -0.124 X(o=1.3,f=1.1) USER MOD Set 2.1: A 96 ASN : amide:sc= 0.228 K(o=0.42,f=-4.4!) USER MOD Set 2.2: A 97 SER OG : rot 180:sc= 0.194 USER MOD Set 3.1: A 94 THR OG1 : rot 75:sc= 1.31 USER MOD Set 3.2: A 103 ASN : amide:sc= 0.149 X(o=1.5,f=1.1) USER MOD Set 4.1: A 79 GLN : amide:sc= -3.53! C(o=-5.2!,f=-6!) USER MOD Set 4.2: A 80 GLN :FLIP amide:sc= -0.261 F(o=-6.6!,f=-5.2) USER MOD Set 4.3: A 89 GLN :FLIP amide:sc= -0.815 F(o=-6.7!,f=-5.2) USER MOD Set 4.4: A 106 ASN :FLIP amide:sc= -0.554 F(o=-6.7,f=-5.2) USER MOD Set 5.1: A 51 THR OG1 : rot 105:sc= 0.191 USER MOD Set 5.2: A 54 GLN : amide:sc= 0.0389 X(o=0.23,f=0.15) USER MOD Single : A 20 SER OG : rot -10:sc= 0.784 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.384 K(o=0.38,f=-5.2!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc=-0.00962 X(o=-0.0096,f=-0.25) USER MOD Single : A 37 TYR OH : rot -108:sc= 1.24 USER MOD Single : A 39 THR OG1 : rot 109:sc= 1.34 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 70:sc= 0.971 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0.131 X(o=0.13,f=-0.08) USER MOD Single : A 53 GLN : amide:sc= 0.199 K(o=0.2,f=-5.1!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -140:sc= -1.73! USER MOD Single : A 64 MET CE :methyl -159:sc= -0.554 (180deg=-1.24) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 66:sc= 0.718 USER MOD Single : A 71 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.17) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 30:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 1.09 K(o=1.1,f=-5.4!) USER MOD Single : A 87 THR OG1 : rot 1:sc= 1.09 USER MOD Single : A 88 GLN : amide:sc= -5.37! C(o=-5.4!,f=-12!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.11 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 107 LYS NZ :NH3+ 153:sc= 1.23 (180deg=1.07) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 117 HIS : no HE2:sc= 1.02 K(o=1,f=-5.4!) USER MOD Single : A 118 HIS : no HD1:sc= -0.456 X(o=-0.46,f=-0.24) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=-0.00039) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 20 -1.997 -54.019 23.266 1.00 0.00 N ATOM 2 CA SER A 20 -1.437 -54.229 21.916 1.00 0.00 C ATOM 3 C SER A 20 -1.938 -53.152 20.965 1.00 0.00 C ATOM 4 O SER A 20 -3.129 -52.843 20.957 1.00 0.00 O ATOM 5 CB SER A 20 -1.841 -55.606 21.397 1.00 0.00 C ATOM 6 OG SER A 20 -2.458 -56.375 22.416 1.00 0.00 O ATOM 0 HA SER A 20 -0.350 -54.171 21.973 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.526 -55.495 20.556 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.961 -56.130 21.024 1.00 0.00 H new ATOM 0 HG SER A 20 -2.353 -55.920 23.278 1.00 0.00 H new ATOM 14 N SER A 21 -1.024 -52.577 20.187 1.00 0.00 N ATOM 15 CA SER A 21 -1.364 -51.547 19.205 1.00 0.00 C ATOM 16 C SER A 21 -2.121 -50.389 19.858 1.00 0.00 C ATOM 17 O SER A 21 -3.202 -50.006 19.414 1.00 0.00 O ATOM 18 CB SER A 21 -2.195 -52.155 18.070 1.00 0.00 C ATOM 19 OG SER A 21 -1.678 -53.420 17.677 1.00 0.00 O ATOM 0 H SER A 21 -0.031 -52.809 20.218 1.00 0.00 H new ATOM 0 HA SER A 21 -0.436 -51.151 18.793 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.230 -52.266 18.393 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.198 -51.479 17.215 1.00 0.00 H new ATOM 0 HG SER A 21 -2.227 -53.787 16.953 1.00 0.00 H new ATOM 25 N THR A 22 -1.549 -49.839 20.915 1.00 0.00 N ATOM 26 CA THR A 22 -2.180 -48.752 21.643 1.00 0.00 C ATOM 27 C THR A 22 -1.889 -47.411 20.974 1.00 0.00 C ATOM 28 O THR A 22 -0.829 -47.224 20.374 1.00 0.00 O ATOM 29 CB THR A 22 -1.688 -48.718 23.100 1.00 0.00 C ATOM 30 OG1 THR A 22 -0.550 -49.581 23.245 1.00 0.00 O ATOM 31 CG2 THR A 22 -2.789 -49.149 24.057 1.00 0.00 C ATOM 0 H THR A 22 -0.645 -50.129 21.289 1.00 0.00 H new ATOM 0 HA THR A 22 -3.256 -48.925 21.634 1.00 0.00 H new ATOM 0 HB THR A 22 -1.405 -47.694 23.345 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.237 -49.557 24.173 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.415 -49.116 25.080 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.640 -48.475 23.960 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.102 -50.165 23.818 1.00 0.00 H new ATOM 39 N LEU A 23 -2.833 -46.485 21.065 1.00 0.00 N ATOM 40 CA LEU A 23 -2.666 -45.177 20.456 1.00 0.00 C ATOM 41 C LEU A 23 -3.142 -44.072 21.392 1.00 0.00 C ATOM 42 O LEU A 23 -4.207 -44.176 22.007 1.00 0.00 O ATOM 43 CB LEU A 23 -3.429 -45.102 19.132 1.00 0.00 C ATOM 44 CG LEU A 23 -2.871 -44.092 18.128 1.00 0.00 C ATOM 45 CD1 LEU A 23 -1.967 -44.787 17.120 1.00 0.00 C ATOM 46 CD2 LEU A 23 -4.006 -43.364 17.425 1.00 0.00 C ATOM 0 H LEU A 23 -3.719 -46.616 21.553 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.603 -45.032 20.263 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.428 -46.090 18.671 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.468 -44.849 19.341 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.275 -43.356 18.668 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.579 -44.054 16.413 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.137 -45.262 17.643 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.537 -45.544 16.581 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.594 -42.648 16.714 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.628 -44.085 16.895 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.611 -42.836 18.162 1.00 0.00 H new ATOM 58 N GLU A 24 -2.331 -43.029 21.511 1.00 0.00 N ATOM 59 CA GLU A 24 -2.676 -41.865 22.311 1.00 0.00 C ATOM 60 C GLU A 24 -1.847 -40.671 21.851 1.00 0.00 C ATOM 61 O GLU A 24 -0.619 -40.740 21.818 1.00 0.00 O ATOM 62 CB GLU A 24 -2.432 -42.141 23.801 1.00 0.00 C ATOM 63 CG GLU A 24 -1.091 -42.798 24.094 1.00 0.00 C ATOM 64 CD GLU A 24 -0.190 -41.931 24.947 1.00 0.00 C ATOM 65 OE1 GLU A 24 -0.402 -40.700 24.990 1.00 0.00 O ATOM 66 OE2 GLU A 24 0.726 -42.478 25.595 1.00 0.00 O ATOM 0 H GLU A 24 -1.420 -42.967 21.057 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.735 -41.643 22.177 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.493 -41.201 24.349 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.230 -42.782 24.177 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.260 -43.748 24.600 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.588 -43.023 23.154 1.00 0.00 H new ATOM 73 N ARG A 25 -2.514 -39.592 21.470 1.00 0.00 N ATOM 74 CA ARG A 25 -1.815 -38.409 20.987 1.00 0.00 C ATOM 75 C ARG A 25 -2.753 -37.221 20.873 1.00 0.00 C ATOM 76 O ARG A 25 -3.641 -37.201 20.025 1.00 0.00 O ATOM 77 CB ARG A 25 -1.181 -38.684 19.620 1.00 0.00 C ATOM 78 CG ARG A 25 0.049 -37.835 19.337 1.00 0.00 C ATOM 79 CD ARG A 25 1.291 -38.697 19.169 1.00 0.00 C ATOM 80 NE ARG A 25 1.092 -39.768 18.193 1.00 0.00 N ATOM 81 CZ ARG A 25 1.372 -41.057 18.429 1.00 0.00 C ATOM 82 NH1 ARG A 25 1.842 -41.437 19.618 1.00 0.00 N ATOM 83 NH2 ARG A 25 1.163 -41.969 17.483 1.00 0.00 N ATOM 0 H ARG A 25 -3.531 -39.510 21.485 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.036 -38.171 21.711 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.906 -39.737 19.562 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.923 -38.504 18.842 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.113 -37.247 18.434 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.202 -37.129 20.153 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.126 -38.071 18.854 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.563 -39.131 20.131 1.00 0.00 H new ATOM 0 HE ARG A 25 0.718 -39.519 17.278 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.990 -40.745 20.353 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.054 -42.419 19.792 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.789 -41.687 16.577 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.377 -42.950 17.664 1.00 0.00 H new ATOM 97 N VAL A 26 -2.566 -36.241 21.741 1.00 0.00 N ATOM 98 CA VAL A 26 -3.279 -34.978 21.622 1.00 0.00 C ATOM 99 C VAL A 26 -2.525 -34.065 20.662 1.00 0.00 C ATOM 100 O VAL A 26 -1.711 -33.233 21.076 1.00 0.00 O ATOM 101 CB VAL A 26 -3.448 -34.261 22.981 1.00 0.00 C ATOM 102 CG1 VAL A 26 -4.881 -33.778 23.158 1.00 0.00 C ATOM 103 CG2 VAL A 26 -3.047 -35.165 24.138 1.00 0.00 C ATOM 0 H VAL A 26 -1.928 -36.294 22.535 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.277 -35.200 21.244 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.784 -33.396 22.984 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.980 -33.276 24.121 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.132 -33.081 22.358 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.559 -34.630 23.122 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.178 -34.631 25.079 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.674 -36.057 24.137 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.002 -35.456 24.028 1.00 0.00 H new ATOM 113 N VAL A 27 -2.778 -34.248 19.375 1.00 0.00 N ATOM 114 CA VAL A 27 -2.071 -33.511 18.338 1.00 0.00 C ATOM 115 C VAL A 27 -2.700 -32.145 18.108 1.00 0.00 C ATOM 116 O VAL A 27 -3.911 -32.031 17.900 1.00 0.00 O ATOM 117 CB VAL A 27 -2.048 -34.275 16.993 1.00 0.00 C ATOM 118 CG1 VAL A 27 -0.687 -34.134 16.331 1.00 0.00 C ATOM 119 CG2 VAL A 27 -2.400 -35.747 17.185 1.00 0.00 C ATOM 0 H VAL A 27 -3.473 -34.906 19.022 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.048 -33.393 18.695 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.804 -33.835 16.342 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.684 -34.676 15.385 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.480 -33.080 16.145 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.081 -34.544 16.987 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.375 -36.256 16.221 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.678 -36.209 17.858 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.399 -35.829 17.613 1.00 0.00 H new ATOM 129 N TYR A 28 -1.876 -31.109 18.177 1.00 0.00 N ATOM 130 CA TYR A 28 -2.315 -29.767 17.846 1.00 0.00 C ATOM 131 C TYR A 28 -2.579 -29.686 16.349 1.00 0.00 C ATOM 132 O TYR A 28 -1.702 -29.986 15.535 1.00 0.00 O ATOM 133 CB TYR A 28 -1.261 -28.736 18.267 1.00 0.00 C ATOM 134 CG TYR A 28 -1.393 -27.400 17.563 1.00 0.00 C ATOM 135 CD1 TYR A 28 -2.431 -26.529 17.873 1.00 0.00 C ATOM 136 CD2 TYR A 28 -0.482 -27.012 16.590 1.00 0.00 C ATOM 137 CE1 TYR A 28 -2.558 -25.312 17.231 1.00 0.00 C ATOM 138 CE2 TYR A 28 -0.600 -25.797 15.945 1.00 0.00 C ATOM 139 CZ TYR A 28 -1.640 -24.950 16.268 1.00 0.00 C ATOM 140 OH TYR A 28 -1.759 -23.738 15.625 1.00 0.00 O ATOM 0 H TYR A 28 -0.898 -31.176 18.460 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.234 -29.542 18.387 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.332 -28.577 19.343 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.269 -29.143 18.070 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.150 -26.808 18.629 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.333 -27.672 16.333 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -3.372 -24.648 17.482 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.118 -25.511 15.191 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.031 -23.639 14.977 1.00 0.00 H new ATOM 150 N ARG A 29 -3.791 -29.302 15.991 1.00 0.00 N ATOM 151 CA ARG A 29 -4.187 -29.244 14.594 1.00 0.00 C ATOM 152 C ARG A 29 -4.328 -27.801 14.134 1.00 0.00 C ATOM 153 O ARG A 29 -5.186 -27.067 14.628 1.00 0.00 O ATOM 154 CB ARG A 29 -5.511 -29.984 14.379 1.00 0.00 C ATOM 155 CG ARG A 29 -5.725 -31.155 15.325 1.00 0.00 C ATOM 156 CD ARG A 29 -7.086 -31.086 15.990 1.00 0.00 C ATOM 157 NE ARG A 29 -6.989 -30.788 17.419 1.00 0.00 N ATOM 158 CZ ARG A 29 -7.799 -29.941 18.056 1.00 0.00 C ATOM 159 NH1 ARG A 29 -8.746 -29.295 17.389 1.00 0.00 N ATOM 160 NH2 ARG A 29 -7.652 -29.739 19.357 1.00 0.00 N ATOM 0 H ARG A 29 -4.520 -29.025 16.649 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.409 -29.728 14.004 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.333 -29.279 14.498 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.550 -30.348 13.352 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.634 -32.091 14.774 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.946 -31.157 16.087 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.689 -30.321 15.501 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.604 -32.035 15.853 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.260 -31.255 17.959 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.856 -29.445 16.386 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.364 -28.648 17.879 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.920 -30.231 19.870 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.270 -29.092 19.846 1.00 0.00 H new ATOM 174 N PRO A 30 -3.480 -27.370 13.188 1.00 0.00 N ATOM 175 CA PRO A 30 -3.581 -26.039 12.578 1.00 0.00 C ATOM 176 C PRO A 30 -4.752 -25.957 11.598 1.00 0.00 C ATOM 177 O PRO A 30 -4.603 -25.525 10.455 1.00 0.00 O ATOM 178 CB PRO A 30 -2.245 -25.885 11.847 1.00 0.00 C ATOM 179 CG PRO A 30 -1.829 -27.280 11.526 1.00 0.00 C ATOM 180 CD PRO A 30 -2.343 -28.141 12.648 1.00 0.00 C ATOM 0 HA PRO A 30 -3.764 -25.254 13.311 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.355 -25.286 10.943 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.506 -25.385 12.473 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.243 -27.599 10.570 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.745 -27.354 11.444 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.658 -29.121 12.289 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.578 -28.310 13.406 1.00 0.00 H new ATOM 188 N ASP A 31 -5.922 -26.368 12.067 1.00 0.00 N ATOM 189 CA ASP A 31 -7.113 -26.441 11.232 1.00 0.00 C ATOM 190 C ASP A 31 -8.016 -25.242 11.477 1.00 0.00 C ATOM 191 O ASP A 31 -9.159 -25.195 11.015 1.00 0.00 O ATOM 192 CB ASP A 31 -7.877 -27.732 11.530 1.00 0.00 C ATOM 193 CG ASP A 31 -8.286 -28.474 10.275 1.00 0.00 C ATOM 194 OD1 ASP A 31 -7.847 -28.085 9.176 1.00 0.00 O ATOM 195 OD2 ASP A 31 -9.043 -29.461 10.382 1.00 0.00 O ATOM 0 H ASP A 31 -6.072 -26.659 13.033 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.803 -26.435 10.187 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.256 -28.383 12.145 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.767 -27.496 12.113 1.00 0.00 H new ATOM 200 N ILE A 32 -7.497 -24.273 12.213 1.00 0.00 N ATOM 201 CA ILE A 32 -8.254 -23.083 12.565 1.00 0.00 C ATOM 202 C ILE A 32 -7.430 -21.835 12.298 1.00 0.00 C ATOM 203 O ILE A 32 -6.212 -21.835 12.480 1.00 0.00 O ATOM 204 CB ILE A 32 -8.697 -23.088 14.047 1.00 0.00 C ATOM 205 CG1 ILE A 32 -8.001 -24.209 14.831 1.00 0.00 C ATOM 206 CG2 ILE A 32 -10.207 -23.232 14.141 1.00 0.00 C ATOM 207 CD1 ILE A 32 -6.797 -23.744 15.622 1.00 0.00 C ATOM 0 H ILE A 32 -6.546 -24.288 12.581 1.00 0.00 H new ATOM 0 HA ILE A 32 -9.149 -23.083 11.943 1.00 0.00 H new ATOM 0 HB ILE A 32 -8.404 -22.138 14.493 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.720 -24.663 15.514 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.688 -24.987 14.134 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.508 -23.234 15.189 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.685 -22.397 13.628 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.513 -24.168 13.674 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.359 -24.591 16.149 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.058 -23.317 14.943 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.106 -22.988 16.344 1.00 0.00 H new ATOM 219 N ASN A 33 -8.097 -20.772 11.876 1.00 0.00 N ATOM 220 CA ASN A 33 -7.427 -19.520 11.542 1.00 0.00 C ATOM 221 C ASN A 33 -7.511 -18.528 12.702 1.00 0.00 C ATOM 222 O ASN A 33 -7.881 -17.367 12.525 1.00 0.00 O ATOM 223 CB ASN A 33 -8.025 -18.908 10.263 1.00 0.00 C ATOM 224 CG ASN A 33 -9.526 -18.657 10.345 1.00 0.00 C ATOM 225 OD1 ASN A 33 -10.219 -19.187 11.217 1.00 0.00 O ATOM 226 ND2 ASN A 33 -10.040 -17.856 9.423 1.00 0.00 N ATOM 0 H ASN A 33 -9.110 -20.750 11.755 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.375 -19.739 11.359 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.519 -17.966 10.052 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.823 -19.574 9.424 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -11.041 -17.660 9.419 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.435 -17.436 8.718 1.00 0.00 H new ATOM 233 N GLN A 34 -7.130 -18.990 13.887 1.00 0.00 N ATOM 234 CA GLN A 34 -7.199 -18.168 15.091 1.00 0.00 C ATOM 235 C GLN A 34 -6.035 -17.182 15.153 1.00 0.00 C ATOM 236 O GLN A 34 -5.993 -16.313 16.025 1.00 0.00 O ATOM 237 CB GLN A 34 -7.193 -19.048 16.348 1.00 0.00 C ATOM 238 CG GLN A 34 -8.119 -20.250 16.269 1.00 0.00 C ATOM 239 CD GLN A 34 -9.583 -19.860 16.305 1.00 0.00 C ATOM 240 OE1 GLN A 34 -10.187 -19.592 15.269 1.00 0.00 O ATOM 241 NE2 GLN A 34 -10.163 -19.819 17.497 1.00 0.00 N ATOM 0 H GLN A 34 -6.769 -19.932 14.041 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.132 -17.605 15.051 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.176 -19.397 16.529 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.478 -18.439 17.206 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.916 -20.801 15.351 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.906 -20.924 17.099 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.626 -20.049 18.333 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.146 -19.558 17.577 1.00 0.00 H new ATOM 250 N GLY A 35 -5.089 -17.327 14.236 1.00 0.00 N ATOM 251 CA GLY A 35 -3.943 -16.444 14.213 1.00 0.00 C ATOM 252 C GLY A 35 -3.657 -15.895 12.831 1.00 0.00 C ATOM 253 O GLY A 35 -2.915 -16.498 12.057 1.00 0.00 O ATOM 0 H GLY A 35 -5.096 -18.041 13.508 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.114 -15.616 14.901 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.067 -16.983 14.574 1.00 0.00 H new ATOM 257 N ASN A 36 -4.255 -14.757 12.517 1.00 0.00 N ATOM 258 CA ASN A 36 -4.018 -14.092 11.241 1.00 0.00 C ATOM 259 C ASN A 36 -3.646 -12.637 11.482 1.00 0.00 C ATOM 260 O ASN A 36 -4.062 -11.740 10.751 1.00 0.00 O ATOM 261 CB ASN A 36 -5.256 -14.181 10.344 1.00 0.00 C ATOM 262 CG ASN A 36 -4.899 -14.216 8.869 1.00 0.00 C ATOM 263 OD1 ASN A 36 -4.082 -15.029 8.435 1.00 0.00 O ATOM 264 ND2 ASN A 36 -5.501 -13.331 8.090 1.00 0.00 N ATOM 0 H ASN A 36 -4.911 -14.271 13.129 1.00 0.00 H new ATOM 0 HA ASN A 36 -3.194 -14.594 10.733 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.823 -15.076 10.599 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.905 -13.327 10.538 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.294 -13.306 7.092 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.172 -12.674 8.488 1.00 0.00 H new ATOM 271 N TYR A 37 -2.867 -12.416 12.532 1.00 0.00 N ATOM 272 CA TYR A 37 -2.442 -11.078 12.917 1.00 0.00 C ATOM 273 C TYR A 37 -1.133 -11.162 13.687 1.00 0.00 C ATOM 274 O TYR A 37 -0.807 -12.211 14.243 1.00 0.00 O ATOM 275 CB TYR A 37 -3.516 -10.392 13.777 1.00 0.00 C ATOM 276 CG TYR A 37 -4.242 -11.327 14.729 1.00 0.00 C ATOM 277 CD1 TYR A 37 -3.668 -11.706 15.937 1.00 0.00 C ATOM 278 CD2 TYR A 37 -5.497 -11.839 14.414 1.00 0.00 C ATOM 279 CE1 TYR A 37 -4.322 -12.566 16.802 1.00 0.00 C ATOM 280 CE2 TYR A 37 -6.155 -12.700 15.275 1.00 0.00 C ATOM 281 CZ TYR A 37 -5.563 -13.059 16.466 1.00 0.00 C ATOM 282 OH TYR A 37 -6.212 -13.923 17.319 1.00 0.00 O ATOM 0 H TYR A 37 -2.513 -13.156 13.138 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.296 -10.483 12.015 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -3.048 -9.595 14.355 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.247 -9.922 13.119 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.695 -11.323 16.205 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -5.966 -11.560 13.482 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.861 -12.849 17.737 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -7.128 -13.089 15.014 1.00 0.00 H new ATOM 0 HH TYR A 37 -6.207 -14.825 16.937 1.00 0.00 H new ATOM 292 N LEU A 38 -0.382 -10.072 13.710 1.00 0.00 N ATOM 293 CA LEU A 38 0.862 -10.027 14.457 1.00 0.00 C ATOM 294 C LEU A 38 0.882 -8.830 15.399 1.00 0.00 C ATOM 295 O LEU A 38 0.394 -7.747 15.062 1.00 0.00 O ATOM 296 CB LEU A 38 2.059 -9.977 13.509 1.00 0.00 C ATOM 297 CG LEU A 38 3.321 -10.676 14.026 1.00 0.00 C ATOM 298 CD1 LEU A 38 3.053 -12.150 14.282 1.00 0.00 C ATOM 299 CD2 LEU A 38 4.464 -10.507 13.042 1.00 0.00 C ATOM 0 H LEU A 38 -0.613 -9.208 13.220 1.00 0.00 H new ATOM 0 HA LEU A 38 0.932 -10.936 15.054 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.772 -10.431 12.561 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.298 -8.934 13.303 1.00 0.00 H new ATOM 0 HG LEU A 38 3.606 -10.211 14.970 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.962 -12.627 14.648 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.264 -12.252 15.027 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.740 -12.629 13.354 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.352 -11.010 13.426 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.186 -10.944 12.083 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.676 -9.446 12.910 1.00 0.00 H new ATOM 311 N THR A 39 1.436 -9.039 16.582 1.00 0.00 N ATOM 312 CA THR A 39 1.522 -7.997 17.588 1.00 0.00 C ATOM 313 C THR A 39 2.809 -7.192 17.432 1.00 0.00 C ATOM 314 O THR A 39 3.852 -7.737 17.069 1.00 0.00 O ATOM 315 CB THR A 39 1.479 -8.607 18.997 1.00 0.00 C ATOM 316 OG1 THR A 39 0.789 -9.863 18.962 1.00 0.00 O ATOM 317 CG2 THR A 39 0.797 -7.669 19.978 1.00 0.00 C ATOM 0 H THR A 39 1.837 -9.932 16.870 1.00 0.00 H new ATOM 0 HA THR A 39 0.668 -7.333 17.451 1.00 0.00 H new ATOM 0 HB THR A 39 2.504 -8.764 19.333 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.431 -10.593 19.089 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.781 -8.126 20.967 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.345 -6.728 20.022 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.225 -7.479 19.649 1.00 0.00 H new ATOM 325 N ALA A 40 2.729 -5.897 17.719 1.00 0.00 N ATOM 326 CA ALA A 40 3.894 -5.026 17.651 1.00 0.00 C ATOM 327 C ALA A 40 4.927 -5.425 18.698 1.00 0.00 C ATOM 328 O ALA A 40 6.114 -5.557 18.397 1.00 0.00 O ATOM 329 CB ALA A 40 3.474 -3.576 17.844 1.00 0.00 C ATOM 0 H ALA A 40 1.868 -5.428 18.001 1.00 0.00 H new ATOM 0 HA ALA A 40 4.350 -5.132 16.666 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.352 -2.933 17.791 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.770 -3.294 17.061 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.998 -3.462 18.818 1.00 0.00 H new ATOM 335 N ASN A 41 4.455 -5.636 19.923 1.00 0.00 N ATOM 336 CA ASN A 41 5.317 -6.024 21.039 1.00 0.00 C ATOM 337 C ASN A 41 6.013 -7.353 20.753 1.00 0.00 C ATOM 338 O ASN A 41 7.169 -7.551 21.123 1.00 0.00 O ATOM 339 CB ASN A 41 4.491 -6.123 22.328 1.00 0.00 C ATOM 340 CG ASN A 41 5.265 -6.729 23.486 1.00 0.00 C ATOM 341 OD1 ASN A 41 6.137 -6.087 24.071 1.00 0.00 O ATOM 342 ND2 ASN A 41 4.932 -7.960 23.838 1.00 0.00 N ATOM 0 H ASN A 41 3.470 -5.544 20.171 1.00 0.00 H new ATOM 0 HA ASN A 41 6.084 -5.260 21.165 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.147 -5.128 22.610 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.602 -6.725 22.138 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.404 -8.412 24.621 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.203 -8.457 23.326 1.00 0.00 H new ATOM 349 N ASP A 42 5.303 -8.246 20.072 1.00 0.00 N ATOM 350 CA ASP A 42 5.846 -9.554 19.705 1.00 0.00 C ATOM 351 C ASP A 42 7.033 -9.392 18.762 1.00 0.00 C ATOM 352 O ASP A 42 8.040 -10.086 18.882 1.00 0.00 O ATOM 353 CB ASP A 42 4.766 -10.410 19.033 1.00 0.00 C ATOM 354 CG ASP A 42 3.729 -10.930 20.007 1.00 0.00 C ATOM 355 OD1 ASP A 42 3.883 -10.713 21.224 1.00 0.00 O ATOM 356 OD2 ASP A 42 2.739 -11.542 19.553 1.00 0.00 O ATOM 0 H ASP A 42 4.345 -8.089 19.760 1.00 0.00 H new ATOM 0 HA ASP A 42 6.181 -10.053 20.614 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.269 -9.819 18.264 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.240 -11.254 18.531 1.00 0.00 H new ATOM 361 N VAL A 43 6.912 -8.461 17.825 1.00 0.00 N ATOM 362 CA VAL A 43 7.995 -8.171 16.891 1.00 0.00 C ATOM 363 C VAL A 43 9.129 -7.436 17.603 1.00 0.00 C ATOM 364 O VAL A 43 10.295 -7.536 17.221 1.00 0.00 O ATOM 365 CB VAL A 43 7.480 -7.353 15.679 1.00 0.00 C ATOM 366 CG1 VAL A 43 8.608 -6.616 14.964 1.00 0.00 C ATOM 367 CG2 VAL A 43 6.760 -8.275 14.712 1.00 0.00 C ATOM 0 H VAL A 43 6.075 -7.893 17.690 1.00 0.00 H new ATOM 0 HA VAL A 43 8.383 -9.117 16.512 1.00 0.00 H new ATOM 0 HB VAL A 43 6.789 -6.598 16.054 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.201 -6.056 14.122 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.090 -5.927 15.658 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.340 -7.337 14.600 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.398 -7.699 13.860 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.448 -9.045 14.363 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.916 -8.744 15.217 1.00 0.00 H new ATOM 377 N SER A 44 8.789 -6.728 18.667 1.00 0.00 N ATOM 378 CA SER A 44 9.798 -6.054 19.471 1.00 0.00 C ATOM 379 C SER A 44 10.542 -7.064 20.345 1.00 0.00 C ATOM 380 O SER A 44 11.562 -6.743 20.955 1.00 0.00 O ATOM 381 CB SER A 44 9.155 -4.973 20.343 1.00 0.00 C ATOM 382 OG SER A 44 8.138 -4.285 19.633 1.00 0.00 O ATOM 0 H SER A 44 7.831 -6.605 18.993 1.00 0.00 H new ATOM 0 HA SER A 44 10.513 -5.578 18.799 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.734 -5.427 21.240 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.916 -4.265 20.672 1.00 0.00 H new ATOM 0 HG SER A 44 7.374 -4.883 19.495 1.00 0.00 H new ATOM 388 N LYS A 45 10.021 -8.286 20.396 1.00 0.00 N ATOM 389 CA LYS A 45 10.620 -9.350 21.189 1.00 0.00 C ATOM 390 C LYS A 45 11.811 -9.966 20.465 1.00 0.00 C ATOM 391 O LYS A 45 12.784 -10.375 21.099 1.00 0.00 O ATOM 392 CB LYS A 45 9.586 -10.436 21.494 1.00 0.00 C ATOM 393 CG LYS A 45 9.695 -11.005 22.899 1.00 0.00 C ATOM 394 CD LYS A 45 10.558 -12.255 22.932 1.00 0.00 C ATOM 395 CE LYS A 45 11.854 -12.026 23.693 1.00 0.00 C ATOM 396 NZ LYS A 45 12.895 -13.031 23.349 1.00 0.00 N ATOM 0 H LYS A 45 9.178 -8.564 19.893 1.00 0.00 H new ATOM 0 HA LYS A 45 10.969 -8.913 22.125 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.587 -10.023 21.355 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.699 -11.246 20.774 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.118 -10.253 23.565 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.699 -11.240 23.275 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.002 -13.069 23.398 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.785 -12.567 21.913 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.230 -11.027 23.473 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.655 -12.064 24.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.760 -12.835 23.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.549 -13.983 23.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.105 -12.979 22.332 1.00 0.00 H new ATOM 410 N ILE A 46 11.736 -10.032 19.140 1.00 0.00 N ATOM 411 CA ILE A 46 12.820 -10.610 18.354 1.00 0.00 C ATOM 412 C ILE A 46 13.941 -9.596 18.150 1.00 0.00 C ATOM 413 O ILE A 46 14.144 -8.710 18.977 1.00 0.00 O ATOM 414 CB ILE A 46 12.353 -11.146 16.982 1.00 0.00 C ATOM 415 CG1 ILE A 46 11.055 -10.479 16.532 1.00 0.00 C ATOM 416 CG2 ILE A 46 12.185 -12.655 17.034 1.00 0.00 C ATOM 417 CD1 ILE A 46 11.190 -9.781 15.203 1.00 0.00 C ATOM 0 H ILE A 46 10.944 -9.696 18.592 1.00 0.00 H new ATOM 0 HA ILE A 46 13.189 -11.460 18.928 1.00 0.00 H new ATOM 0 HB ILE A 46 13.122 -10.901 16.249 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.269 -11.231 16.464 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.742 -9.758 17.287 1.00 0.00 H new ATOM 0 HG21 ILE A 46 11.856 -13.018 16.060 1.00 0.00 H new ATOM 0 HG22 ILE A 46 13.137 -13.118 17.291 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.441 -12.913 17.788 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.237 -9.325 14.933 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.955 -9.008 15.274 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.475 -10.505 14.439 1.00 0.00 H new ATOM 429 N ARG A 47 14.657 -9.710 17.041 1.00 0.00 N ATOM 430 CA ARG A 47 15.835 -8.895 16.818 1.00 0.00 C ATOM 431 C ARG A 47 16.132 -8.776 15.330 1.00 0.00 C ATOM 432 O ARG A 47 16.087 -9.766 14.600 1.00 0.00 O ATOM 433 CB ARG A 47 17.031 -9.518 17.549 1.00 0.00 C ATOM 434 CG ARG A 47 18.226 -8.597 17.686 1.00 0.00 C ATOM 435 CD ARG A 47 17.972 -7.516 18.722 1.00 0.00 C ATOM 436 NE ARG A 47 18.156 -6.175 18.169 1.00 0.00 N ATOM 437 CZ ARG A 47 17.310 -5.165 18.363 1.00 0.00 C ATOM 438 NH1 ARG A 47 16.226 -5.333 19.113 1.00 0.00 N ATOM 439 NH2 ARG A 47 17.555 -3.986 17.807 1.00 0.00 N ATOM 0 H ARG A 47 14.441 -10.359 16.284 1.00 0.00 H new ATOM 0 HA ARG A 47 15.653 -7.894 17.209 1.00 0.00 H new ATOM 0 HB2 ARG A 47 16.712 -9.830 18.543 1.00 0.00 H new ATOM 0 HB3 ARG A 47 17.339 -10.417 17.016 1.00 0.00 H new ATOM 0 HG2 ARG A 47 19.104 -9.177 17.970 1.00 0.00 H new ATOM 0 HG3 ARG A 47 18.446 -8.137 16.723 1.00 0.00 H new ATOM 0 HD2 ARG A 47 16.957 -7.614 19.107 1.00 0.00 H new ATOM 0 HD3 ARG A 47 18.648 -7.656 19.566 1.00 0.00 H new ATOM 0 HE ARG A 47 18.984 -6.002 17.599 1.00 0.00 H new ATOM 0 HH11 ARG A 47 16.039 -6.239 19.543 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.581 -4.556 19.259 1.00 0.00 H new ATOM 0 HH21 ARG A 47 18.388 -3.856 17.234 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.910 -3.209 17.953 1.00 0.00 H new ATOM 453 N VAL A 48 16.421 -7.567 14.880 1.00 0.00 N ATOM 454 CA VAL A 48 16.803 -7.351 13.495 1.00 0.00 C ATOM 455 C VAL A 48 18.200 -7.912 13.257 1.00 0.00 C ATOM 456 O VAL A 48 19.158 -7.547 13.938 1.00 0.00 O ATOM 457 CB VAL A 48 16.742 -5.851 13.110 1.00 0.00 C ATOM 458 CG1 VAL A 48 17.380 -4.977 14.182 1.00 0.00 C ATOM 459 CG2 VAL A 48 17.392 -5.605 11.752 1.00 0.00 C ATOM 0 H VAL A 48 16.399 -6.722 15.451 1.00 0.00 H new ATOM 0 HA VAL A 48 16.090 -7.875 12.858 1.00 0.00 H new ATOM 0 HB VAL A 48 15.690 -5.574 13.036 1.00 0.00 H new ATOM 0 HG11 VAL A 48 17.321 -3.931 13.881 1.00 0.00 H new ATOM 0 HG12 VAL A 48 16.851 -5.114 15.125 1.00 0.00 H new ATOM 0 HG13 VAL A 48 18.425 -5.260 14.308 1.00 0.00 H new ATOM 0 HG21 VAL A 48 17.334 -4.544 11.508 1.00 0.00 H new ATOM 0 HG22 VAL A 48 18.437 -5.913 11.788 1.00 0.00 H new ATOM 0 HG23 VAL A 48 16.870 -6.182 10.989 1.00 0.00 H new ATOM 469 N GLY A 49 18.291 -8.826 12.313 1.00 0.00 N ATOM 470 CA GLY A 49 19.540 -9.502 12.051 1.00 0.00 C ATOM 471 C GLY A 49 19.509 -10.928 12.542 1.00 0.00 C ATOM 472 O GLY A 49 20.503 -11.642 12.460 1.00 0.00 O ATOM 0 H GLY A 49 17.516 -9.116 11.717 1.00 0.00 H new ATOM 0 HA2 GLY A 49 19.745 -9.489 10.980 1.00 0.00 H new ATOM 0 HA3 GLY A 49 20.355 -8.966 12.538 1.00 0.00 H new ATOM 476 N MET A 50 18.362 -11.339 13.062 1.00 0.00 N ATOM 477 CA MET A 50 18.171 -12.722 13.461 1.00 0.00 C ATOM 478 C MET A 50 17.888 -13.570 12.231 1.00 0.00 C ATOM 479 O MET A 50 17.351 -13.069 11.237 1.00 0.00 O ATOM 480 CB MET A 50 17.015 -12.851 14.454 1.00 0.00 C ATOM 481 CG MET A 50 17.386 -12.473 15.879 1.00 0.00 C ATOM 482 SD MET A 50 16.384 -13.331 17.112 1.00 0.00 S ATOM 483 CE MET A 50 17.608 -13.617 18.389 1.00 0.00 C ATOM 0 H MET A 50 17.554 -10.736 13.216 1.00 0.00 H new ATOM 0 HA MET A 50 19.081 -13.071 13.949 1.00 0.00 H new ATOM 0 HB2 MET A 50 16.191 -12.218 14.123 1.00 0.00 H new ATOM 0 HB3 MET A 50 16.652 -13.879 14.443 1.00 0.00 H new ATOM 0 HG2 MET A 50 18.438 -12.702 16.049 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.269 -11.397 16.007 1.00 0.00 H new ATOM 0 HE1 MET A 50 17.146 -14.141 19.225 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.420 -14.222 17.986 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.004 -12.662 18.734 1.00 0.00 H new ATOM 493 N THR A 51 18.253 -14.837 12.295 1.00 0.00 N ATOM 494 CA THR A 51 18.049 -15.741 11.182 1.00 0.00 C ATOM 495 C THR A 51 16.581 -16.155 11.077 1.00 0.00 C ATOM 496 O THR A 51 15.849 -16.147 12.073 1.00 0.00 O ATOM 497 CB THR A 51 18.931 -16.990 11.338 1.00 0.00 C ATOM 498 OG1 THR A 51 19.649 -16.917 12.577 1.00 0.00 O ATOM 499 CG2 THR A 51 19.914 -17.109 10.183 1.00 0.00 C ATOM 0 H THR A 51 18.694 -15.263 13.110 1.00 0.00 H new ATOM 0 HA THR A 51 18.329 -15.217 10.268 1.00 0.00 H new ATOM 0 HB THR A 51 18.289 -17.871 11.334 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.241 -17.526 13.228 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.526 -18.001 10.317 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.365 -17.183 9.244 1.00 0.00 H new ATOM 0 HG23 THR A 51 20.556 -16.228 10.159 1.00 0.00 H new ATOM 507 N GLN A 52 16.171 -16.511 9.864 1.00 0.00 N ATOM 508 CA GLN A 52 14.799 -16.916 9.564 1.00 0.00 C ATOM 509 C GLN A 52 14.287 -17.958 10.558 1.00 0.00 C ATOM 510 O GLN A 52 13.133 -17.906 10.982 1.00 0.00 O ATOM 511 CB GLN A 52 14.739 -17.468 8.134 1.00 0.00 C ATOM 512 CG GLN A 52 13.442 -18.178 7.783 1.00 0.00 C ATOM 513 CD GLN A 52 13.572 -19.038 6.539 1.00 0.00 C ATOM 514 OE1 GLN A 52 14.430 -19.917 6.460 1.00 0.00 O ATOM 515 NE2 GLN A 52 12.728 -18.781 5.556 1.00 0.00 N ATOM 0 H GLN A 52 16.787 -16.527 9.052 1.00 0.00 H new ATOM 0 HA GLN A 52 14.154 -16.042 9.652 1.00 0.00 H new ATOM 0 HB2 GLN A 52 14.888 -16.645 7.435 1.00 0.00 H new ATOM 0 HB3 GLN A 52 15.568 -18.162 7.991 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.134 -18.802 8.622 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.656 -17.439 7.630 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.031 -18.044 5.662 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.773 -19.320 4.691 1.00 0.00 H new ATOM 524 N GLN A 53 15.162 -18.884 10.935 1.00 0.00 N ATOM 525 CA GLN A 53 14.806 -19.959 11.854 1.00 0.00 C ATOM 526 C GLN A 53 14.343 -19.403 13.194 1.00 0.00 C ATOM 527 O GLN A 53 13.318 -19.819 13.724 1.00 0.00 O ATOM 528 CB GLN A 53 15.999 -20.895 12.067 1.00 0.00 C ATOM 529 CG GLN A 53 16.305 -21.777 10.865 1.00 0.00 C ATOM 530 CD GLN A 53 17.006 -21.026 9.749 1.00 0.00 C ATOM 531 OE1 GLN A 53 17.597 -19.966 9.972 1.00 0.00 O ATOM 532 NE2 GLN A 53 16.935 -21.559 8.542 1.00 0.00 N ATOM 0 H GLN A 53 16.130 -18.911 10.615 1.00 0.00 H new ATOM 0 HA GLN A 53 13.984 -20.520 11.410 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.880 -20.298 12.303 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.803 -21.529 12.932 1.00 0.00 H new ATOM 0 HG2 GLN A 53 16.929 -22.613 11.182 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.375 -22.200 10.484 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.436 -22.437 8.401 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.379 -21.092 7.751 1.00 0.00 H new ATOM 541 N GLN A 54 15.092 -18.443 13.722 1.00 0.00 N ATOM 542 CA GLN A 54 14.796 -17.868 15.028 1.00 0.00 C ATOM 543 C GLN A 54 13.576 -16.956 14.952 1.00 0.00 C ATOM 544 O GLN A 54 12.725 -16.963 15.843 1.00 0.00 O ATOM 545 CB GLN A 54 16.007 -17.090 15.551 1.00 0.00 C ATOM 546 CG GLN A 54 16.915 -17.911 16.453 1.00 0.00 C ATOM 547 CD GLN A 54 17.623 -19.029 15.709 1.00 0.00 C ATOM 548 OE1 GLN A 54 18.620 -18.802 15.030 1.00 0.00 O ATOM 549 NE2 GLN A 54 17.107 -20.240 15.832 1.00 0.00 N ATOM 0 H GLN A 54 15.912 -18.045 13.264 1.00 0.00 H new ATOM 0 HA GLN A 54 14.574 -18.681 15.719 1.00 0.00 H new ATOM 0 HB2 GLN A 54 16.586 -16.723 14.704 1.00 0.00 H new ATOM 0 HB3 GLN A 54 15.657 -16.216 16.100 1.00 0.00 H new ATOM 0 HG2 GLN A 54 17.658 -17.255 16.908 1.00 0.00 H new ATOM 0 HG3 GLN A 54 16.325 -18.337 17.265 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.277 -20.385 16.407 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.539 -21.030 15.352 1.00 0.00 H new ATOM 558 N VAL A 55 13.490 -16.187 13.874 1.00 0.00 N ATOM 559 CA VAL A 55 12.350 -15.308 13.649 1.00 0.00 C ATOM 560 C VAL A 55 11.056 -16.118 13.621 1.00 0.00 C ATOM 561 O VAL A 55 10.065 -15.755 14.261 1.00 0.00 O ATOM 562 CB VAL A 55 12.501 -14.525 12.326 1.00 0.00 C ATOM 563 CG1 VAL A 55 11.281 -13.652 12.062 1.00 0.00 C ATOM 564 CG2 VAL A 55 13.767 -13.681 12.353 1.00 0.00 C ATOM 0 H VAL A 55 14.198 -16.154 13.140 1.00 0.00 H new ATOM 0 HA VAL A 55 12.313 -14.593 14.471 1.00 0.00 H new ATOM 0 HB VAL A 55 12.579 -15.246 11.512 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.415 -13.113 11.124 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.392 -14.279 11.996 1.00 0.00 H new ATOM 0 HG13 VAL A 55 11.161 -12.938 12.877 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.860 -13.135 11.414 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.715 -12.974 13.181 1.00 0.00 H new ATOM 0 HG23 VAL A 55 14.634 -14.329 12.483 1.00 0.00 H new ATOM 574 N ALA A 56 11.086 -17.229 12.895 1.00 0.00 N ATOM 575 CA ALA A 56 9.928 -18.105 12.790 1.00 0.00 C ATOM 576 C ALA A 56 9.717 -18.889 14.080 1.00 0.00 C ATOM 577 O ALA A 56 8.591 -19.228 14.427 1.00 0.00 O ATOM 578 CB ALA A 56 10.072 -19.048 11.605 1.00 0.00 C ATOM 0 H ALA A 56 11.902 -17.544 12.370 1.00 0.00 H new ATOM 0 HA ALA A 56 9.049 -17.482 12.627 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.196 -19.694 11.545 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.158 -18.468 10.686 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.965 -19.660 11.733 1.00 0.00 H new ATOM 584 N TYR A 57 10.806 -19.164 14.792 1.00 0.00 N ATOM 585 CA TYR A 57 10.733 -19.890 16.055 1.00 0.00 C ATOM 586 C TYR A 57 10.057 -19.050 17.132 1.00 0.00 C ATOM 587 O TYR A 57 9.434 -19.584 18.054 1.00 0.00 O ATOM 588 CB TYR A 57 12.133 -20.290 16.522 1.00 0.00 C ATOM 589 CG TYR A 57 12.351 -21.786 16.561 1.00 0.00 C ATOM 590 CD1 TYR A 57 11.608 -22.590 17.416 1.00 0.00 C ATOM 591 CD2 TYR A 57 13.288 -22.393 15.738 1.00 0.00 C ATOM 592 CE1 TYR A 57 11.800 -23.958 17.452 1.00 0.00 C ATOM 593 CE2 TYR A 57 13.484 -23.758 15.766 1.00 0.00 C ATOM 594 CZ TYR A 57 12.738 -24.536 16.624 1.00 0.00 C ATOM 595 OH TYR A 57 12.931 -25.898 16.653 1.00 0.00 O ATOM 0 H TYR A 57 11.750 -18.895 14.515 1.00 0.00 H new ATOM 0 HA TYR A 57 10.138 -20.788 15.888 1.00 0.00 H new ATOM 0 HB2 TYR A 57 12.871 -19.840 15.858 1.00 0.00 H new ATOM 0 HB3 TYR A 57 12.307 -19.879 17.517 1.00 0.00 H new ATOM 0 HD1 TYR A 57 10.869 -22.139 18.062 1.00 0.00 H new ATOM 0 HD2 TYR A 57 13.874 -21.786 15.064 1.00 0.00 H new ATOM 0 HE1 TYR A 57 11.218 -24.571 18.125 1.00 0.00 H new ATOM 0 HE2 TYR A 57 14.218 -24.214 15.119 1.00 0.00 H new ATOM 0 HH TYR A 57 13.627 -26.144 16.008 1.00 0.00 H new ATOM 605 N ALA A 58 10.205 -17.737 17.026 1.00 0.00 N ATOM 606 CA ALA A 58 9.606 -16.829 17.989 1.00 0.00 C ATOM 607 C ALA A 58 8.183 -16.441 17.595 1.00 0.00 C ATOM 608 O ALA A 58 7.237 -16.679 18.349 1.00 0.00 O ATOM 609 CB ALA A 58 10.468 -15.587 18.147 1.00 0.00 C ATOM 0 H ALA A 58 10.734 -17.279 16.284 1.00 0.00 H new ATOM 0 HA ALA A 58 9.551 -17.351 18.944 1.00 0.00 H new ATOM 0 HB1 ALA A 58 10.008 -14.915 18.871 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.459 -15.874 18.497 1.00 0.00 H new ATOM 0 HB3 ALA A 58 10.555 -15.080 17.186 1.00 0.00 H new ATOM 615 N LEU A 59 8.031 -15.869 16.406 1.00 0.00 N ATOM 616 CA LEU A 59 6.750 -15.309 15.983 1.00 0.00 C ATOM 617 C LEU A 59 5.804 -16.382 15.455 1.00 0.00 C ATOM 618 O LEU A 59 4.591 -16.179 15.412 1.00 0.00 O ATOM 619 CB LEU A 59 6.966 -14.250 14.901 1.00 0.00 C ATOM 620 CG LEU A 59 7.844 -13.069 15.313 1.00 0.00 C ATOM 621 CD1 LEU A 59 8.344 -12.324 14.087 1.00 0.00 C ATOM 622 CD2 LEU A 59 7.078 -12.126 16.226 1.00 0.00 C ATOM 0 H LEU A 59 8.778 -15.780 15.717 1.00 0.00 H new ATOM 0 HA LEU A 59 6.292 -14.855 16.862 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.414 -14.729 14.030 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.994 -13.868 14.590 1.00 0.00 H new ATOM 0 HG LEU A 59 8.704 -13.457 15.859 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.967 -11.486 14.399 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.930 -13.000 13.464 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.494 -11.950 13.516 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.720 -11.292 16.508 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.200 -11.747 15.703 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.764 -12.662 17.122 1.00 0.00 H new ATOM 634 N GLY A 60 6.354 -17.520 15.056 1.00 0.00 N ATOM 635 CA GLY A 60 5.541 -18.553 14.443 1.00 0.00 C ATOM 636 C GLY A 60 5.318 -18.277 12.972 1.00 0.00 C ATOM 637 O GLY A 60 4.273 -18.616 12.414 1.00 0.00 O ATOM 0 H GLY A 60 7.344 -17.747 15.145 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.027 -19.521 14.564 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.580 -18.613 14.954 1.00 0.00 H new ATOM 641 N THR A 61 6.301 -17.636 12.359 1.00 0.00 N ATOM 642 CA THR A 61 6.243 -17.272 10.955 1.00 0.00 C ATOM 643 C THR A 61 6.227 -18.505 10.052 1.00 0.00 C ATOM 644 O THR A 61 6.972 -19.461 10.275 1.00 0.00 O ATOM 645 CB THR A 61 7.453 -16.399 10.588 1.00 0.00 C ATOM 646 OG1 THR A 61 8.026 -15.856 11.788 1.00 0.00 O ATOM 647 CG2 THR A 61 7.059 -15.269 9.650 1.00 0.00 C ATOM 0 H THR A 61 7.164 -17.353 12.824 1.00 0.00 H new ATOM 0 HA THR A 61 5.318 -16.718 10.799 1.00 0.00 H new ATOM 0 HB THR A 61 8.183 -17.023 10.072 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.295 -14.927 11.631 1.00 0.00 H new ATOM 0 HG21 THR A 61 7.939 -14.671 9.411 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.643 -15.686 8.733 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.312 -14.639 10.133 1.00 0.00 H new ATOM 655 N PRO A 62 5.364 -18.494 9.028 1.00 0.00 N ATOM 656 CA PRO A 62 5.270 -19.592 8.068 1.00 0.00 C ATOM 657 C PRO A 62 6.452 -19.608 7.102 1.00 0.00 C ATOM 658 O PRO A 62 7.041 -18.566 6.800 1.00 0.00 O ATOM 659 CB PRO A 62 3.967 -19.299 7.323 1.00 0.00 C ATOM 660 CG PRO A 62 3.786 -17.825 7.427 1.00 0.00 C ATOM 661 CD PRO A 62 4.415 -17.408 8.730 1.00 0.00 C ATOM 0 HA PRO A 62 5.284 -20.568 8.553 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.028 -19.617 6.282 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.128 -19.832 7.771 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.259 -17.316 6.587 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.729 -17.561 7.405 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.922 -16.448 8.640 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.669 -17.302 9.518 1.00 0.00 H new ATOM 669 N LEU A 63 6.802 -20.790 6.615 1.00 0.00 N ATOM 670 CA LEU A 63 7.902 -20.924 5.685 1.00 0.00 C ATOM 671 C LEU A 63 7.430 -20.633 4.265 1.00 0.00 C ATOM 672 O LEU A 63 6.714 -21.434 3.656 1.00 0.00 O ATOM 673 CB LEU A 63 8.507 -22.325 5.773 1.00 0.00 C ATOM 674 CG LEU A 63 9.611 -22.597 4.760 1.00 0.00 C ATOM 675 CD1 LEU A 63 10.973 -22.266 5.349 1.00 0.00 C ATOM 676 CD2 LEU A 63 9.562 -24.040 4.290 1.00 0.00 C ATOM 0 H LEU A 63 6.337 -21.667 6.851 1.00 0.00 H new ATOM 0 HA LEU A 63 8.673 -20.200 5.949 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.906 -22.473 6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.714 -23.060 5.634 1.00 0.00 H new ATOM 0 HG LEU A 63 9.450 -21.953 3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.748 -22.467 4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 63 11.003 -21.213 5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.146 -22.880 6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.359 -24.214 3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.695 -24.705 5.143 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.598 -24.238 3.822 1.00 0.00 H new ATOM 688 N MET A 64 7.819 -19.475 3.758 1.00 0.00 N ATOM 689 CA MET A 64 7.422 -19.047 2.427 1.00 0.00 C ATOM 690 C MET A 64 8.493 -19.407 1.402 1.00 0.00 C ATOM 691 O MET A 64 9.640 -18.982 1.518 1.00 0.00 O ATOM 692 CB MET A 64 7.163 -17.536 2.414 1.00 0.00 C ATOM 693 CG MET A 64 7.034 -16.946 1.018 1.00 0.00 C ATOM 694 SD MET A 64 5.498 -17.423 0.202 1.00 0.00 S ATOM 695 CE MET A 64 5.858 -16.938 -1.486 1.00 0.00 C ATOM 0 H MET A 64 8.414 -18.810 4.252 1.00 0.00 H new ATOM 0 HA MET A 64 6.502 -19.566 2.158 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.250 -17.329 2.971 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.976 -17.033 2.937 1.00 0.00 H new ATOM 0 HG2 MET A 64 7.085 -15.859 1.081 1.00 0.00 H new ATOM 0 HG3 MET A 64 7.879 -17.270 0.411 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.925 -16.812 -2.035 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.409 -15.997 -1.485 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.460 -17.710 -1.966 1.00 0.00 H new ATOM 705 N SER A 65 8.111 -20.205 0.415 1.00 0.00 N ATOM 706 CA SER A 65 9.011 -20.567 -0.670 1.00 0.00 C ATOM 707 C SER A 65 8.681 -19.743 -1.909 1.00 0.00 C ATOM 708 O SER A 65 7.576 -19.833 -2.448 1.00 0.00 O ATOM 709 CB SER A 65 8.896 -22.062 -0.979 1.00 0.00 C ATOM 710 OG SER A 65 8.282 -22.761 0.094 1.00 0.00 O ATOM 0 H SER A 65 7.180 -20.615 0.344 1.00 0.00 H new ATOM 0 HA SER A 65 10.036 -20.356 -0.367 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.314 -22.204 -1.890 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.887 -22.475 -1.166 1.00 0.00 H new ATOM 0 HG SER A 65 8.219 -23.713 -0.129 1.00 0.00 H new ATOM 716 N ASP A 66 9.634 -18.935 -2.346 1.00 0.00 N ATOM 717 CA ASP A 66 9.423 -18.050 -3.478 1.00 0.00 C ATOM 718 C ASP A 66 10.595 -18.135 -4.445 1.00 0.00 C ATOM 719 O ASP A 66 11.712 -17.726 -4.121 1.00 0.00 O ATOM 720 CB ASP A 66 9.240 -16.611 -2.997 1.00 0.00 C ATOM 721 CG ASP A 66 9.043 -15.641 -4.142 1.00 0.00 C ATOM 722 OD1 ASP A 66 7.919 -15.561 -4.674 1.00 0.00 O ATOM 723 OD2 ASP A 66 10.012 -14.951 -4.511 1.00 0.00 O ATOM 0 H ASP A 66 10.564 -18.875 -1.931 1.00 0.00 H new ATOM 0 HA ASP A 66 8.519 -18.364 -3.999 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.380 -16.560 -2.329 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.112 -16.311 -2.416 1.00 0.00 H new ATOM 728 N PRO A 67 10.357 -18.680 -5.643 1.00 0.00 N ATOM 729 CA PRO A 67 11.389 -18.814 -6.669 1.00 0.00 C ATOM 730 C PRO A 67 11.648 -17.508 -7.413 1.00 0.00 C ATOM 731 O PRO A 67 12.526 -17.440 -8.274 1.00 0.00 O ATOM 732 CB PRO A 67 10.804 -19.861 -7.612 1.00 0.00 C ATOM 733 CG PRO A 67 9.327 -19.694 -7.497 1.00 0.00 C ATOM 734 CD PRO A 67 9.058 -19.228 -6.090 1.00 0.00 C ATOM 0 HA PRO A 67 12.355 -19.089 -6.245 1.00 0.00 H new ATOM 0 HB2 PRO A 67 11.141 -19.703 -8.636 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.112 -20.867 -7.326 1.00 0.00 H new ATOM 0 HG2 PRO A 67 8.961 -18.968 -8.223 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.813 -20.634 -7.699 1.00 0.00 H new ATOM 0 HD2 PRO A 67 8.274 -18.471 -6.063 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.730 -20.049 -5.453 1.00 0.00 H new ATOM 742 N PHE A 68 10.880 -16.480 -7.079 1.00 0.00 N ATOM 743 CA PHE A 68 10.981 -15.197 -7.765 1.00 0.00 C ATOM 744 C PHE A 68 12.075 -14.333 -7.146 1.00 0.00 C ATOM 745 O PHE A 68 12.633 -13.455 -7.806 1.00 0.00 O ATOM 746 CB PHE A 68 9.638 -14.463 -7.729 1.00 0.00 C ATOM 747 CG PHE A 68 8.804 -14.664 -8.964 1.00 0.00 C ATOM 748 CD1 PHE A 68 9.355 -15.221 -10.108 1.00 0.00 C ATOM 749 CD2 PHE A 68 7.469 -14.297 -8.979 1.00 0.00 C ATOM 750 CE1 PHE A 68 8.590 -15.408 -11.243 1.00 0.00 C ATOM 751 CE2 PHE A 68 6.697 -14.479 -10.111 1.00 0.00 C ATOM 752 CZ PHE A 68 7.260 -15.035 -11.245 1.00 0.00 C ATOM 0 H PHE A 68 10.180 -16.508 -6.338 1.00 0.00 H new ATOM 0 HA PHE A 68 11.246 -15.389 -8.805 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.073 -14.802 -6.861 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.821 -13.397 -7.595 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.395 -15.512 -10.112 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.025 -13.863 -8.095 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.031 -15.845 -12.127 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.657 -14.188 -10.110 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.660 -15.178 -12.132 1.00 0.00 H new ATOM 762 N GLY A 69 12.367 -14.574 -5.878 1.00 0.00 N ATOM 763 CA GLY A 69 13.454 -13.879 -5.226 1.00 0.00 C ATOM 764 C GLY A 69 12.955 -12.840 -4.250 1.00 0.00 C ATOM 765 O GLY A 69 13.616 -11.827 -4.015 1.00 0.00 O ATOM 0 H GLY A 69 11.869 -15.240 -5.288 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.081 -14.599 -4.700 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.081 -13.399 -5.978 1.00 0.00 H new ATOM 769 N THR A 70 11.783 -13.088 -3.682 1.00 0.00 N ATOM 770 CA THR A 70 11.197 -12.176 -2.723 1.00 0.00 C ATOM 771 C THR A 70 11.941 -12.243 -1.393 1.00 0.00 C ATOM 772 O THR A 70 11.834 -13.221 -0.651 1.00 0.00 O ATOM 773 CB THR A 70 9.703 -12.478 -2.500 1.00 0.00 C ATOM 774 OG1 THR A 70 9.018 -12.488 -3.760 1.00 0.00 O ATOM 775 CG2 THR A 70 9.062 -11.447 -1.583 1.00 0.00 C ATOM 0 H THR A 70 11.221 -13.918 -3.873 1.00 0.00 H new ATOM 0 HA THR A 70 11.286 -11.170 -3.132 1.00 0.00 H new ATOM 0 HB THR A 70 9.623 -13.456 -2.025 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.338 -13.241 -4.300 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.008 -11.688 -1.445 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.566 -11.457 -0.616 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.153 -10.457 -2.029 1.00 0.00 H new ATOM 783 N ASN A 71 12.697 -11.196 -1.107 1.00 0.00 N ATOM 784 CA ASN A 71 13.494 -11.125 0.110 1.00 0.00 C ATOM 785 C ASN A 71 12.824 -10.206 1.122 1.00 0.00 C ATOM 786 O ASN A 71 13.481 -9.618 1.983 1.00 0.00 O ATOM 787 CB ASN A 71 14.915 -10.631 -0.198 1.00 0.00 C ATOM 788 CG ASN A 71 14.937 -9.445 -1.148 1.00 0.00 C ATOM 789 OD1 ASN A 71 14.920 -8.290 -0.725 1.00 0.00 O ATOM 790 ND2 ASN A 71 14.981 -9.722 -2.443 1.00 0.00 N ATOM 0 H ASN A 71 12.777 -10.375 -1.707 1.00 0.00 H new ATOM 0 HA ASN A 71 13.565 -12.127 0.534 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.407 -10.353 0.734 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.492 -11.448 -0.632 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.002 -8.965 -3.126 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.994 -10.692 -2.757 1.00 0.00 H new ATOM 797 N THR A 72 11.510 -10.085 1.003 1.00 0.00 N ATOM 798 CA THR A 72 10.732 -9.269 1.916 1.00 0.00 C ATOM 799 C THR A 72 9.527 -10.046 2.433 1.00 0.00 C ATOM 800 O THR A 72 8.748 -10.594 1.653 1.00 0.00 O ATOM 801 CB THR A 72 10.250 -7.973 1.242 1.00 0.00 C ATOM 802 OG1 THR A 72 10.093 -8.179 -0.171 1.00 0.00 O ATOM 803 CG2 THR A 72 11.228 -6.836 1.483 1.00 0.00 C ATOM 0 H THR A 72 10.960 -10.546 0.278 1.00 0.00 H new ATOM 0 HA THR A 72 11.382 -9.006 2.750 1.00 0.00 H new ATOM 0 HB THR A 72 9.289 -7.704 1.680 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.784 -7.349 -0.590 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.863 -5.932 0.995 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.322 -6.658 2.554 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.202 -7.101 1.072 1.00 0.00 H new ATOM 811 N TRP A 73 9.382 -10.096 3.746 1.00 0.00 N ATOM 812 CA TRP A 73 8.265 -10.798 4.363 1.00 0.00 C ATOM 813 C TRP A 73 7.226 -9.804 4.861 1.00 0.00 C ATOM 814 O TRP A 73 7.543 -8.893 5.624 1.00 0.00 O ATOM 815 CB TRP A 73 8.758 -11.680 5.515 1.00 0.00 C ATOM 816 CG TRP A 73 9.023 -13.097 5.101 1.00 0.00 C ATOM 817 CD1 TRP A 73 8.943 -13.608 3.838 1.00 0.00 C ATOM 818 CD2 TRP A 73 9.414 -14.187 5.950 1.00 0.00 C ATOM 819 NE1 TRP A 73 9.260 -14.944 3.846 1.00 0.00 N ATOM 820 CE2 TRP A 73 9.551 -15.324 5.131 1.00 0.00 C ATOM 821 CE3 TRP A 73 9.660 -14.311 7.319 1.00 0.00 C ATOM 822 CZ2 TRP A 73 9.926 -16.569 5.639 1.00 0.00 C ATOM 823 CZ3 TRP A 73 10.031 -15.545 7.821 1.00 0.00 C ATOM 824 CH2 TRP A 73 10.160 -16.658 6.983 1.00 0.00 C ATOM 0 H TRP A 73 10.023 -9.659 4.408 1.00 0.00 H new ATOM 0 HA TRP A 73 7.801 -11.438 3.613 1.00 0.00 H new ATOM 0 HB2 TRP A 73 9.672 -11.252 5.927 1.00 0.00 H new ATOM 0 HB3 TRP A 73 8.015 -11.674 6.313 1.00 0.00 H new ATOM 0 HD1 TRP A 73 8.670 -13.043 2.959 1.00 0.00 H new ATOM 0 HE1 TRP A 73 9.276 -15.554 3.029 1.00 0.00 H new ATOM 0 HE3 TRP A 73 9.562 -13.458 7.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 10.027 -17.430 4.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 10.225 -15.651 8.878 1.00 0.00 H new ATOM 0 HH2 TRP A 73 10.451 -17.608 7.407 1.00 0.00 H new ATOM 835 N PHE A 74 5.993 -9.974 4.412 1.00 0.00 N ATOM 836 CA PHE A 74 4.914 -9.068 4.773 1.00 0.00 C ATOM 837 C PHE A 74 4.005 -9.705 5.822 1.00 0.00 C ATOM 838 O PHE A 74 3.647 -10.881 5.716 1.00 0.00 O ATOM 839 CB PHE A 74 4.118 -8.687 3.517 1.00 0.00 C ATOM 840 CG PHE A 74 2.724 -8.191 3.784 1.00 0.00 C ATOM 841 CD1 PHE A 74 2.506 -6.927 4.309 1.00 0.00 C ATOM 842 CD2 PHE A 74 1.629 -8.995 3.504 1.00 0.00 C ATOM 843 CE1 PHE A 74 1.223 -6.474 4.551 1.00 0.00 C ATOM 844 CE2 PHE A 74 0.344 -8.547 3.743 1.00 0.00 C ATOM 845 CZ PHE A 74 0.141 -7.286 4.269 1.00 0.00 C ATOM 0 H PHE A 74 5.713 -10.735 3.794 1.00 0.00 H new ATOM 0 HA PHE A 74 5.339 -8.163 5.207 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.666 -7.916 2.976 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.061 -9.556 2.862 1.00 0.00 H new ATOM 0 HD1 PHE A 74 3.348 -6.289 4.532 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.783 -9.982 3.094 1.00 0.00 H new ATOM 0 HE1 PHE A 74 1.066 -5.487 4.960 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.500 -9.182 3.519 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.862 -6.935 4.460 1.00 0.00 H new ATOM 855 N TYR A 75 3.645 -8.925 6.834 1.00 0.00 N ATOM 856 CA TYR A 75 2.748 -9.388 7.884 1.00 0.00 C ATOM 857 C TYR A 75 1.689 -8.338 8.188 1.00 0.00 C ATOM 858 O TYR A 75 1.917 -7.137 8.016 1.00 0.00 O ATOM 859 CB TYR A 75 3.526 -9.715 9.159 1.00 0.00 C ATOM 860 CG TYR A 75 3.360 -11.146 9.622 1.00 0.00 C ATOM 861 CD1 TYR A 75 2.169 -11.579 10.193 1.00 0.00 C ATOM 862 CD2 TYR A 75 4.395 -12.064 9.492 1.00 0.00 C ATOM 863 CE1 TYR A 75 2.016 -12.885 10.624 1.00 0.00 C ATOM 864 CE2 TYR A 75 4.247 -13.371 9.920 1.00 0.00 C ATOM 865 CZ TYR A 75 3.057 -13.776 10.485 1.00 0.00 C ATOM 866 OH TYR A 75 2.913 -15.079 10.917 1.00 0.00 O ATOM 0 H TYR A 75 3.963 -7.963 6.949 1.00 0.00 H new ATOM 0 HA TYR A 75 2.259 -10.294 7.527 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.584 -9.518 8.989 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.201 -9.045 9.955 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.349 -10.884 10.302 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.330 -11.752 9.050 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.084 -13.204 11.067 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.061 -14.072 9.812 1.00 0.00 H new ATOM 0 HH TYR A 75 1.973 -15.347 10.842 1.00 0.00 H new ATOM 876 N VAL A 76 0.529 -8.798 8.634 1.00 0.00 N ATOM 877 CA VAL A 76 -0.562 -7.905 8.991 1.00 0.00 C ATOM 878 C VAL A 76 -0.492 -7.547 10.472 1.00 0.00 C ATOM 879 O VAL A 76 -0.627 -8.411 11.340 1.00 0.00 O ATOM 880 CB VAL A 76 -1.936 -8.536 8.679 1.00 0.00 C ATOM 881 CG1 VAL A 76 -3.061 -7.570 9.018 1.00 0.00 C ATOM 882 CG2 VAL A 76 -2.007 -8.959 7.217 1.00 0.00 C ATOM 0 H VAL A 76 0.319 -9.789 8.757 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.454 -7.001 8.391 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.056 -9.424 9.299 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.020 -8.035 8.790 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.020 -7.322 10.079 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.950 -6.660 8.428 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.982 -9.402 7.013 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.864 -8.087 6.579 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.226 -9.691 7.012 1.00 0.00 H new ATOM 892 N PHE A 77 -0.264 -6.275 10.749 1.00 0.00 N ATOM 893 CA PHE A 77 -0.143 -5.797 12.118 1.00 0.00 C ATOM 894 C PHE A 77 -1.484 -5.296 12.633 1.00 0.00 C ATOM 895 O PHE A 77 -2.380 -4.988 11.845 1.00 0.00 O ATOM 896 CB PHE A 77 0.884 -4.666 12.181 1.00 0.00 C ATOM 897 CG PHE A 77 2.165 -5.045 12.861 1.00 0.00 C ATOM 898 CD1 PHE A 77 2.633 -6.347 12.818 1.00 0.00 C ATOM 899 CD2 PHE A 77 2.900 -4.095 13.548 1.00 0.00 C ATOM 900 CE1 PHE A 77 3.811 -6.693 13.447 1.00 0.00 C ATOM 901 CE2 PHE A 77 4.079 -4.434 14.179 1.00 0.00 C ATOM 902 CZ PHE A 77 4.535 -5.736 14.129 1.00 0.00 C ATOM 0 H PHE A 77 -0.158 -5.549 10.040 1.00 0.00 H new ATOM 0 HA PHE A 77 0.185 -6.626 12.746 1.00 0.00 H new ATOM 0 HB2 PHE A 77 1.107 -4.334 11.167 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.444 -3.817 12.705 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.070 -7.100 12.286 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.546 -3.075 13.591 1.00 0.00 H new ATOM 0 HE1 PHE A 77 4.166 -7.712 13.406 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.644 -3.683 14.711 1.00 0.00 H new ATOM 0 HZ PHE A 77 5.457 -6.005 14.623 1.00 0.00 H new ATOM 912 N ARG A 78 -1.623 -5.214 13.948 1.00 0.00 N ATOM 913 CA ARG A 78 -2.834 -4.680 14.552 1.00 0.00 C ATOM 914 C ARG A 78 -2.490 -3.553 15.523 1.00 0.00 C ATOM 915 O ARG A 78 -1.565 -3.676 16.326 1.00 0.00 O ATOM 916 CB ARG A 78 -3.624 -5.790 15.259 1.00 0.00 C ATOM 917 CG ARG A 78 -2.892 -6.433 16.428 1.00 0.00 C ATOM 918 CD ARG A 78 -3.602 -7.689 16.908 1.00 0.00 C ATOM 919 NE ARG A 78 -4.874 -7.391 17.567 1.00 0.00 N ATOM 920 CZ ARG A 78 -5.280 -7.958 18.707 1.00 0.00 C ATOM 921 NH1 ARG A 78 -4.503 -8.828 19.337 1.00 0.00 N ATOM 922 NH2 ARG A 78 -6.458 -7.643 19.225 1.00 0.00 N ATOM 0 H ARG A 78 -0.912 -5.510 14.617 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.464 -4.272 13.762 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.566 -5.376 15.619 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.872 -6.563 14.532 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.874 -6.681 16.129 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.818 -5.720 17.249 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.781 -8.349 16.059 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.954 -8.228 17.600 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.490 -6.707 17.128 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.589 -9.068 18.952 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.819 -9.257 20.207 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.058 -6.966 18.754 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.765 -8.077 20.095 1.00 0.00 H new ATOM 936 N GLN A 79 -3.213 -2.440 15.419 1.00 0.00 N ATOM 937 CA GLN A 79 -3.020 -1.312 16.328 1.00 0.00 C ATOM 938 C GLN A 79 -4.255 -0.413 16.349 1.00 0.00 C ATOM 939 O GLN A 79 -4.717 -0.010 17.416 1.00 0.00 O ATOM 940 CB GLN A 79 -1.762 -0.494 15.979 1.00 0.00 C ATOM 941 CG GLN A 79 -1.463 -0.367 14.490 1.00 0.00 C ATOM 942 CD GLN A 79 -0.923 1.003 14.118 1.00 0.00 C ATOM 943 OE1 GLN A 79 -0.852 1.354 12.938 1.00 0.00 O ATOM 944 NE2 GLN A 79 -0.534 1.786 15.111 1.00 0.00 N ATOM 0 H GLN A 79 -3.937 -2.295 14.715 1.00 0.00 H new ATOM 0 HA GLN A 79 -2.872 -1.727 17.325 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.871 0.506 16.398 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.903 -0.953 16.468 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.739 -1.129 14.202 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.373 -0.561 13.922 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.608 1.462 16.075 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.160 2.714 14.912 1.00 0.00 H new ATOM 953 N GLN A 80 -4.798 -0.113 15.174 1.00 0.00 N ATOM 954 CA GLN A 80 -6.003 0.700 15.077 1.00 0.00 C ATOM 955 C GLN A 80 -7.239 -0.191 15.096 1.00 0.00 C ATOM 956 O GLN A 80 -7.390 -1.068 14.243 1.00 0.00 O ATOM 957 CB GLN A 80 -5.985 1.540 13.798 1.00 0.00 C ATOM 958 CG GLN A 80 -5.546 2.979 14.018 1.00 0.00 C ATOM 959 CD GLN A 80 -4.039 3.147 13.974 1.00 0.00 C ATOM 960 OE1 GLN A 80 -3.382 2.422 13.080 1.00 0.00 O flip ATOM 961 NE2 GLN A 80 -3.464 3.920 14.738 1.00 0.00 N flip ATOM 0 H GLN A 80 -4.423 -0.421 14.277 1.00 0.00 H new ATOM 0 HA GLN A 80 -6.034 1.373 15.934 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.316 1.072 13.076 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.982 1.537 13.358 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.000 3.613 13.256 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -5.917 3.324 14.983 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -4.001 4.463 15.414 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -2.450 4.018 14.696 1.00 0.00 H new ATOM 970 N PRO A 81 -8.122 0.006 16.086 1.00 0.00 N ATOM 971 CA PRO A 81 -9.357 -0.778 16.221 1.00 0.00 C ATOM 972 C PRO A 81 -10.220 -0.734 14.961 1.00 0.00 C ATOM 973 O PRO A 81 -10.579 -1.776 14.410 1.00 0.00 O ATOM 974 CB PRO A 81 -10.081 -0.113 17.394 1.00 0.00 C ATOM 975 CG PRO A 81 -9.000 0.544 18.180 1.00 0.00 C ATOM 976 CD PRO A 81 -7.980 0.994 17.172 1.00 0.00 C ATOM 0 HA PRO A 81 -9.148 -1.836 16.380 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.815 0.613 17.046 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.618 -0.846 17.995 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -9.388 1.389 18.749 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.562 -0.149 18.898 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -8.178 2.007 16.823 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.973 0.992 17.589 1.00 0.00 H new ATOM 984 N GLY A 82 -10.547 0.468 14.500 1.00 0.00 N ATOM 985 CA GLY A 82 -11.353 0.598 13.302 1.00 0.00 C ATOM 986 C GLY A 82 -11.730 2.034 12.999 1.00 0.00 C ATOM 987 O GLY A 82 -12.261 2.738 13.862 1.00 0.00 O ATOM 0 H GLY A 82 -10.270 1.350 14.932 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.805 0.185 12.455 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.261 0.005 13.415 1.00 0.00 H new ATOM 991 N HIS A 83 -11.454 2.459 11.766 1.00 0.00 N ATOM 992 CA HIS A 83 -11.781 3.805 11.300 1.00 0.00 C ATOM 993 C HIS A 83 -11.322 3.987 9.857 1.00 0.00 C ATOM 994 O HIS A 83 -10.352 3.354 9.432 1.00 0.00 O ATOM 995 CB HIS A 83 -11.123 4.875 12.179 1.00 0.00 C ATOM 996 CG HIS A 83 -12.017 6.043 12.460 1.00 0.00 C ATOM 997 ND1 HIS A 83 -11.955 7.224 11.756 1.00 0.00 N ATOM 998 CD2 HIS A 83 -13.007 6.204 13.371 1.00 0.00 C ATOM 999 CE1 HIS A 83 -12.864 8.059 12.219 1.00 0.00 C ATOM 1000 NE2 HIS A 83 -13.518 7.466 13.200 1.00 0.00 N ATOM 0 H HIS A 83 -10.997 1.879 11.062 1.00 0.00 H new ATOM 0 HA HIS A 83 -12.863 3.923 11.361 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -10.820 4.423 13.123 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -10.216 5.230 11.690 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -11.306 7.422 10.994 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -13.333 5.474 14.097 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -13.043 9.060 11.856 1.00 0.00 H new ATOM 1009 N GLU A 84 -12.045 4.829 9.114 1.00 0.00 N ATOM 1010 CA GLU A 84 -11.708 5.197 7.727 1.00 0.00 C ATOM 1011 C GLU A 84 -11.974 4.055 6.741 1.00 0.00 C ATOM 1012 O GLU A 84 -12.475 4.278 5.639 1.00 0.00 O ATOM 1013 CB GLU A 84 -10.249 5.658 7.621 1.00 0.00 C ATOM 1014 CG GLU A 84 -10.093 7.149 7.371 1.00 0.00 C ATOM 1015 CD GLU A 84 -10.851 7.996 8.373 1.00 0.00 C ATOM 1016 OE1 GLU A 84 -10.607 7.854 9.588 1.00 0.00 O ATOM 1017 OE2 GLU A 84 -11.695 8.817 7.947 1.00 0.00 O ATOM 0 H GLU A 84 -12.892 5.282 9.458 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.363 6.025 7.455 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.728 5.397 8.542 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.763 5.111 6.813 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.035 7.410 7.408 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.444 7.383 6.366 1.00 0.00 H new ATOM 1024 N GLY A 85 -11.631 2.840 7.137 1.00 0.00 N ATOM 1025 CA GLY A 85 -11.806 1.683 6.282 1.00 0.00 C ATOM 1026 C GLY A 85 -10.490 1.246 5.676 1.00 0.00 C ATOM 1027 O GLY A 85 -10.220 0.055 5.536 1.00 0.00 O ATOM 0 H GLY A 85 -11.228 2.632 8.050 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.234 0.863 6.859 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.515 1.918 5.488 1.00 0.00 H new ATOM 1031 N VAL A 86 -9.668 2.223 5.325 1.00 0.00 N ATOM 1032 CA VAL A 86 -8.307 1.965 4.886 1.00 0.00 C ATOM 1033 C VAL A 86 -7.342 2.572 5.892 1.00 0.00 C ATOM 1034 O VAL A 86 -6.908 3.711 5.736 1.00 0.00 O ATOM 1035 CB VAL A 86 -8.032 2.563 3.489 1.00 0.00 C ATOM 1036 CG1 VAL A 86 -6.724 2.027 2.924 1.00 0.00 C ATOM 1037 CG2 VAL A 86 -9.185 2.271 2.541 1.00 0.00 C ATOM 0 H VAL A 86 -9.924 3.210 5.336 1.00 0.00 H new ATOM 0 HA VAL A 86 -8.168 0.886 4.820 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.943 3.644 3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -6.548 2.460 1.939 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.903 2.294 3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.782 0.942 2.838 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.970 2.701 1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.311 1.193 2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -10.101 2.709 2.937 1.00 0.00 H new ATOM 1047 N THR A 87 -7.019 1.810 6.926 1.00 0.00 N ATOM 1048 CA THR A 87 -6.195 2.311 8.013 1.00 0.00 C ATOM 1049 C THR A 87 -5.659 1.157 8.859 1.00 0.00 C ATOM 1050 O THR A 87 -6.377 0.593 9.690 1.00 0.00 O ATOM 1051 CB THR A 87 -6.991 3.301 8.909 1.00 0.00 C ATOM 1052 OG1 THR A 87 -7.167 4.551 8.230 1.00 0.00 O ATOM 1053 CG2 THR A 87 -6.289 3.556 10.236 1.00 0.00 C ATOM 0 H THR A 87 -7.316 0.840 7.034 1.00 0.00 H new ATOM 0 HA THR A 87 -5.354 2.846 7.572 1.00 0.00 H new ATOM 0 HB THR A 87 -7.959 2.843 9.112 1.00 0.00 H new ATOM 0 HG1 THR A 87 -6.763 4.499 7.339 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.879 4.253 10.831 1.00 0.00 H new ATOM 0 HG22 THR A 87 -6.182 2.616 10.778 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.303 3.982 10.050 1.00 0.00 H new ATOM 1061 N GLN A 88 -4.406 0.787 8.613 1.00 0.00 N ATOM 1062 CA GLN A 88 -3.708 -0.174 9.454 1.00 0.00 C ATOM 1063 C GLN A 88 -2.207 -0.151 9.176 1.00 0.00 C ATOM 1064 O GLN A 88 -1.754 0.450 8.201 1.00 0.00 O ATOM 1065 CB GLN A 88 -4.251 -1.585 9.254 1.00 0.00 C ATOM 1066 CG GLN A 88 -4.720 -2.246 10.548 1.00 0.00 C ATOM 1067 CD GLN A 88 -4.005 -1.705 11.777 1.00 0.00 C ATOM 1068 OE1 GLN A 88 -4.367 -0.666 12.322 1.00 0.00 O ATOM 1069 NE2 GLN A 88 -2.976 -2.406 12.221 1.00 0.00 N ATOM 0 H GLN A 88 -3.852 1.142 7.833 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.880 0.117 10.490 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.083 -1.549 8.551 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.476 -2.203 8.800 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -5.793 -2.093 10.661 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -4.556 -3.322 10.482 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.701 -3.265 11.745 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.457 -2.088 13.039 1.00 0.00 H new ATOM 1078 N GLN A 89 -1.449 -0.806 10.044 1.00 0.00 N ATOM 1079 CA GLN A 89 0.003 -0.817 9.958 1.00 0.00 C ATOM 1080 C GLN A 89 0.490 -1.858 8.960 1.00 0.00 C ATOM 1081 O GLN A 89 -0.077 -2.946 8.855 1.00 0.00 O ATOM 1082 CB GLN A 89 0.599 -1.112 11.334 1.00 0.00 C ATOM 1083 CG GLN A 89 2.119 -1.126 11.363 1.00 0.00 C ATOM 1084 CD GLN A 89 2.683 -0.512 12.627 1.00 0.00 C ATOM 1085 OE1 GLN A 89 1.907 0.363 13.248 1.00 0.00 O flip ATOM 1086 NE2 GLN A 89 3.801 -0.818 13.036 1.00 0.00 N flip ATOM 0 H GLN A 89 -1.823 -1.344 10.826 1.00 0.00 H new ATOM 0 HA GLN A 89 0.329 0.165 9.615 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.240 -0.364 12.041 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.231 -2.079 11.678 1.00 0.00 H new ATOM 0 HG2 GLN A 89 2.471 -2.154 11.274 1.00 0.00 H new ATOM 0 HG3 GLN A 89 2.500 -0.583 10.498 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.363 -1.498 12.524 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.167 -0.392 13.888 1.00 0.00 H new ATOM 1095 N THR A 90 1.544 -1.517 8.239 1.00 0.00 N ATOM 1096 CA THR A 90 2.178 -2.444 7.320 1.00 0.00 C ATOM 1097 C THR A 90 3.511 -2.927 7.889 1.00 0.00 C ATOM 1098 O THR A 90 4.382 -2.120 8.219 1.00 0.00 O ATOM 1099 CB THR A 90 2.411 -1.781 5.950 1.00 0.00 C ATOM 1100 OG1 THR A 90 1.388 -0.803 5.713 1.00 0.00 O ATOM 1101 CG2 THR A 90 2.401 -2.815 4.834 1.00 0.00 C ATOM 0 H THR A 90 1.981 -0.596 8.274 1.00 0.00 H new ATOM 0 HA THR A 90 1.513 -3.298 7.189 1.00 0.00 H new ATOM 0 HB THR A 90 3.389 -1.300 5.960 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.536 -0.379 4.842 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.568 -2.320 3.878 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.192 -3.545 5.007 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.436 -3.322 4.817 1.00 0.00 H new ATOM 1109 N LEU A 91 3.654 -4.239 8.032 1.00 0.00 N ATOM 1110 CA LEU A 91 4.883 -4.820 8.551 1.00 0.00 C ATOM 1111 C LEU A 91 5.621 -5.560 7.444 1.00 0.00 C ATOM 1112 O LEU A 91 5.086 -6.495 6.849 1.00 0.00 O ATOM 1113 CB LEU A 91 4.573 -5.773 9.715 1.00 0.00 C ATOM 1114 CG LEU A 91 5.737 -6.080 10.671 1.00 0.00 C ATOM 1115 CD1 LEU A 91 6.438 -7.367 10.270 1.00 0.00 C ATOM 1116 CD2 LEU A 91 6.727 -4.925 10.725 1.00 0.00 C ATOM 0 H LEU A 91 2.933 -4.920 7.795 1.00 0.00 H new ATOM 0 HA LEU A 91 5.521 -4.017 8.921 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.755 -5.348 10.297 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.213 -6.715 9.300 1.00 0.00 H new ATOM 0 HG LEU A 91 5.321 -6.211 11.670 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.258 -7.565 10.960 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.728 -8.194 10.304 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.831 -7.267 9.258 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.538 -5.173 11.409 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.134 -4.748 9.729 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.219 -4.026 11.075 1.00 0.00 H new ATOM 1128 N THR A 92 6.838 -5.123 7.156 1.00 0.00 N ATOM 1129 CA THR A 92 7.672 -5.776 6.161 1.00 0.00 C ATOM 1130 C THR A 92 9.065 -6.052 6.723 1.00 0.00 C ATOM 1131 O THR A 92 9.633 -5.230 7.438 1.00 0.00 O ATOM 1132 CB THR A 92 7.792 -4.924 4.883 1.00 0.00 C ATOM 1133 OG1 THR A 92 6.660 -4.047 4.777 1.00 0.00 O ATOM 1134 CG2 THR A 92 7.871 -5.803 3.645 1.00 0.00 C ATOM 0 H THR A 92 7.271 -4.314 7.601 1.00 0.00 H new ATOM 0 HA THR A 92 7.193 -6.721 5.904 1.00 0.00 H new ATOM 0 HB THR A 92 8.709 -4.338 4.949 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.741 -3.506 3.964 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.955 -5.175 2.758 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.744 -6.452 3.715 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.970 -6.413 3.574 1.00 0.00 H new ATOM 1142 N LEU A 93 9.594 -7.223 6.421 1.00 0.00 N ATOM 1143 CA LEU A 93 10.934 -7.592 6.851 1.00 0.00 C ATOM 1144 C LEU A 93 11.838 -7.798 5.644 1.00 0.00 C ATOM 1145 O LEU A 93 11.413 -8.361 4.641 1.00 0.00 O ATOM 1146 CB LEU A 93 10.885 -8.873 7.684 1.00 0.00 C ATOM 1147 CG LEU A 93 9.953 -8.824 8.895 1.00 0.00 C ATOM 1148 CD1 LEU A 93 8.935 -9.951 8.834 1.00 0.00 C ATOM 1149 CD2 LEU A 93 10.753 -8.900 10.183 1.00 0.00 C ATOM 0 H LEU A 93 9.115 -7.940 5.877 1.00 0.00 H new ATOM 0 HA LEU A 93 11.337 -6.784 7.461 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.575 -9.695 7.039 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.893 -9.102 8.030 1.00 0.00 H new ATOM 0 HG LEU A 93 9.416 -7.876 8.876 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.281 -9.898 9.705 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.339 -9.854 7.926 1.00 0.00 H new ATOM 0 HD13 LEU A 93 9.454 -10.910 8.827 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.075 -8.864 11.035 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.316 -9.833 10.207 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.443 -8.058 10.233 1.00 0.00 H new ATOM 1161 N THR A 94 13.074 -7.328 5.739 1.00 0.00 N ATOM 1162 CA THR A 94 14.053 -7.538 4.681 1.00 0.00 C ATOM 1163 C THR A 94 15.021 -8.644 5.089 1.00 0.00 C ATOM 1164 O THR A 94 15.329 -8.794 6.274 1.00 0.00 O ATOM 1165 CB THR A 94 14.841 -6.249 4.367 1.00 0.00 C ATOM 1166 OG1 THR A 94 14.095 -5.097 4.791 1.00 0.00 O ATOM 1167 CG2 THR A 94 15.129 -6.144 2.879 1.00 0.00 C ATOM 0 H THR A 94 13.423 -6.799 6.538 1.00 0.00 H new ATOM 0 HA THR A 94 13.513 -7.828 3.780 1.00 0.00 H new ATOM 0 HB THR A 94 15.786 -6.289 4.908 1.00 0.00 H new ATOM 0 HG1 THR A 94 14.140 -5.019 5.767 1.00 0.00 H new ATOM 0 HG21 THR A 94 15.685 -5.228 2.680 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.719 -7.003 2.561 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.189 -6.125 2.327 1.00 0.00 H new ATOM 1175 N PHE A 95 15.497 -9.417 4.122 1.00 0.00 N ATOM 1176 CA PHE A 95 16.307 -10.583 4.424 1.00 0.00 C ATOM 1177 C PHE A 95 17.642 -10.547 3.697 1.00 0.00 C ATOM 1178 O PHE A 95 17.702 -10.396 2.474 1.00 0.00 O ATOM 1179 CB PHE A 95 15.556 -11.861 4.048 1.00 0.00 C ATOM 1180 CG PHE A 95 14.737 -12.435 5.167 1.00 0.00 C ATOM 1181 CD1 PHE A 95 13.418 -12.051 5.346 1.00 0.00 C ATOM 1182 CD2 PHE A 95 15.285 -13.362 6.039 1.00 0.00 C ATOM 1183 CE1 PHE A 95 12.662 -12.584 6.371 1.00 0.00 C ATOM 1184 CE2 PHE A 95 14.535 -13.897 7.066 1.00 0.00 C ATOM 1185 CZ PHE A 95 13.222 -13.507 7.233 1.00 0.00 C ATOM 0 H PHE A 95 15.336 -9.257 3.128 1.00 0.00 H new ATOM 0 HA PHE A 95 16.504 -10.573 5.496 1.00 0.00 H new ATOM 0 HB2 PHE A 95 14.901 -11.651 3.202 1.00 0.00 H new ATOM 0 HB3 PHE A 95 16.275 -12.610 3.716 1.00 0.00 H new ATOM 0 HD1 PHE A 95 12.977 -11.327 4.677 1.00 0.00 H new ATOM 0 HD2 PHE A 95 16.313 -13.670 5.913 1.00 0.00 H new ATOM 0 HE1 PHE A 95 11.634 -12.280 6.499 1.00 0.00 H new ATOM 0 HE2 PHE A 95 14.975 -14.619 7.738 1.00 0.00 H new ATOM 0 HZ PHE A 95 12.633 -13.923 8.037 1.00 0.00 H new ATOM 1195 N ASN A 96 18.708 -10.667 4.469 1.00 0.00 N ATOM 1196 CA ASN A 96 20.040 -10.857 3.929 1.00 0.00 C ATOM 1197 C ASN A 96 20.145 -12.286 3.409 1.00 0.00 C ATOM 1198 O ASN A 96 19.401 -13.158 3.865 1.00 0.00 O ATOM 1199 CB ASN A 96 21.088 -10.600 5.026 1.00 0.00 C ATOM 1200 CG ASN A 96 22.516 -10.508 4.512 1.00 0.00 C ATOM 1201 OD1 ASN A 96 22.769 -10.538 3.308 1.00 0.00 O ATOM 1202 ND2 ASN A 96 23.464 -10.394 5.430 1.00 0.00 N ATOM 0 H ASN A 96 18.673 -10.635 5.488 1.00 0.00 H new ATOM 0 HA ASN A 96 20.225 -10.157 3.114 1.00 0.00 H new ATOM 0 HB2 ASN A 96 20.838 -9.673 5.542 1.00 0.00 H new ATOM 0 HB3 ASN A 96 21.030 -11.400 5.764 1.00 0.00 H new ATOM 0 HD21 ASN A 96 24.442 -10.328 5.148 1.00 0.00 H new ATOM 0 HD22 ASN A 96 23.216 -10.373 6.419 1.00 0.00 H new ATOM 1209 N SER A 97 21.066 -12.533 2.483 1.00 0.00 N ATOM 1210 CA SER A 97 21.197 -13.842 1.840 1.00 0.00 C ATOM 1211 C SER A 97 21.454 -14.957 2.859 1.00 0.00 C ATOM 1212 O SER A 97 21.234 -16.135 2.570 1.00 0.00 O ATOM 1213 CB SER A 97 22.331 -13.793 0.821 1.00 0.00 C ATOM 1214 OG SER A 97 22.930 -12.507 0.798 1.00 0.00 O ATOM 0 H SER A 97 21.739 -11.840 2.157 1.00 0.00 H new ATOM 0 HA SER A 97 20.255 -14.069 1.340 1.00 0.00 H new ATOM 0 HB2 SER A 97 23.081 -14.544 1.068 1.00 0.00 H new ATOM 0 HB3 SER A 97 21.947 -14.039 -0.169 1.00 0.00 H new ATOM 0 HG SER A 97 23.656 -12.496 0.140 1.00 0.00 H new ATOM 1220 N SER A 98 21.916 -14.581 4.047 1.00 0.00 N ATOM 1221 CA SER A 98 22.167 -15.528 5.125 1.00 0.00 C ATOM 1222 C SER A 98 20.868 -15.931 5.828 1.00 0.00 C ATOM 1223 O SER A 98 20.855 -16.838 6.661 1.00 0.00 O ATOM 1224 CB SER A 98 23.123 -14.888 6.126 1.00 0.00 C ATOM 1225 OG SER A 98 23.343 -13.525 5.794 1.00 0.00 O ATOM 0 H SER A 98 22.126 -13.613 4.288 1.00 0.00 H new ATOM 0 HA SER A 98 22.608 -16.432 4.704 1.00 0.00 H new ATOM 0 HB2 SER A 98 22.710 -14.962 7.132 1.00 0.00 H new ATOM 0 HB3 SER A 98 24.071 -15.426 6.130 1.00 0.00 H new ATOM 0 HG SER A 98 23.957 -13.125 6.445 1.00 0.00 H new ATOM 1231 N GLY A 99 19.780 -15.261 5.474 1.00 0.00 N ATOM 1232 CA GLY A 99 18.516 -15.481 6.144 1.00 0.00 C ATOM 1233 C GLY A 99 18.395 -14.604 7.367 1.00 0.00 C ATOM 1234 O GLY A 99 17.738 -14.959 8.332 1.00 0.00 O ATOM 0 H GLY A 99 19.752 -14.565 4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 99 17.695 -15.271 5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 99 18.430 -16.529 6.433 1.00 0.00 H new ATOM 1238 N VAL A 100 19.037 -13.451 7.312 1.00 0.00 N ATOM 1239 CA VAL A 100 19.112 -12.545 8.444 1.00 0.00 C ATOM 1240 C VAL A 100 18.313 -11.277 8.149 1.00 0.00 C ATOM 1241 O VAL A 100 18.402 -10.742 7.053 1.00 0.00 O ATOM 1242 CB VAL A 100 20.598 -12.196 8.722 1.00 0.00 C ATOM 1243 CG1 VAL A 100 20.782 -10.767 9.219 1.00 0.00 C ATOM 1244 CG2 VAL A 100 21.200 -13.191 9.702 1.00 0.00 C ATOM 0 H VAL A 100 19.522 -13.116 6.480 1.00 0.00 H new ATOM 0 HA VAL A 100 18.686 -13.024 9.326 1.00 0.00 H new ATOM 0 HB VAL A 100 21.128 -12.266 7.772 1.00 0.00 H new ATOM 0 HG11 VAL A 100 21.840 -10.577 9.397 1.00 0.00 H new ATOM 0 HG12 VAL A 100 20.410 -10.070 8.468 1.00 0.00 H new ATOM 0 HG13 VAL A 100 20.227 -10.630 10.147 1.00 0.00 H new ATOM 0 HG21 VAL A 100 22.243 -12.934 9.887 1.00 0.00 H new ATOM 0 HG22 VAL A 100 20.646 -13.158 10.640 1.00 0.00 H new ATOM 0 HG23 VAL A 100 21.143 -14.195 9.282 1.00 0.00 H new ATOM 1254 N LEU A 101 17.523 -10.808 9.110 1.00 0.00 N ATOM 1255 CA LEU A 101 16.778 -9.559 8.931 1.00 0.00 C ATOM 1256 C LEU A 101 17.739 -8.396 8.706 1.00 0.00 C ATOM 1257 O LEU A 101 18.387 -7.938 9.640 1.00 0.00 O ATOM 1258 CB LEU A 101 15.898 -9.246 10.150 1.00 0.00 C ATOM 1259 CG LEU A 101 15.071 -10.407 10.702 1.00 0.00 C ATOM 1260 CD1 LEU A 101 14.149 -9.918 11.805 1.00 0.00 C ATOM 1261 CD2 LEU A 101 14.266 -11.069 9.595 1.00 0.00 C ATOM 0 H LEU A 101 17.381 -11.264 10.011 1.00 0.00 H new ATOM 0 HA LEU A 101 16.137 -9.688 8.059 1.00 0.00 H new ATOM 0 HB2 LEU A 101 16.539 -8.872 10.948 1.00 0.00 H new ATOM 0 HB3 LEU A 101 15.218 -8.437 9.883 1.00 0.00 H new ATOM 0 HG LEU A 101 15.754 -11.148 11.118 1.00 0.00 H new ATOM 0 HD11 LEU A 101 13.566 -10.755 12.189 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.743 -9.489 12.612 1.00 0.00 H new ATOM 0 HD13 LEU A 101 13.476 -9.159 11.407 1.00 0.00 H new ATOM 0 HD21 LEU A 101 13.685 -11.892 10.010 1.00 0.00 H new ATOM 0 HD22 LEU A 101 13.592 -10.338 9.148 1.00 0.00 H new ATOM 0 HD23 LEU A 101 14.943 -11.452 8.832 1.00 0.00 H new ATOM 1273 N THR A 102 17.829 -7.922 7.475 1.00 0.00 N ATOM 1274 CA THR A 102 18.716 -6.813 7.155 1.00 0.00 C ATOM 1275 C THR A 102 18.129 -5.499 7.645 1.00 0.00 C ATOM 1276 O THR A 102 18.855 -4.571 8.006 1.00 0.00 O ATOM 1277 CB THR A 102 18.952 -6.721 5.639 1.00 0.00 C ATOM 1278 OG1 THR A 102 18.031 -7.583 4.957 1.00 0.00 O ATOM 1279 CG2 THR A 102 20.377 -7.112 5.284 1.00 0.00 C ATOM 0 H THR A 102 17.301 -8.286 6.682 1.00 0.00 H new ATOM 0 HA THR A 102 19.666 -6.996 7.656 1.00 0.00 H new ATOM 0 HB THR A 102 18.793 -5.689 5.327 1.00 0.00 H new ATOM 0 HG1 THR A 102 18.181 -7.523 3.990 1.00 0.00 H new ATOM 0 HG21 THR A 102 20.517 -7.038 4.206 1.00 0.00 H new ATOM 0 HG22 THR A 102 21.074 -6.442 5.787 1.00 0.00 H new ATOM 0 HG23 THR A 102 20.564 -8.137 5.605 1.00 0.00 H new ATOM 1287 N ASN A 103 16.807 -5.438 7.663 1.00 0.00 N ATOM 1288 CA ASN A 103 16.096 -4.228 8.040 1.00 0.00 C ATOM 1289 C ASN A 103 14.618 -4.538 8.248 1.00 0.00 C ATOM 1290 O ASN A 103 14.037 -5.341 7.512 1.00 0.00 O ATOM 1291 CB ASN A 103 16.278 -3.158 6.950 1.00 0.00 C ATOM 1292 CG ASN A 103 15.143 -2.150 6.896 1.00 0.00 C ATOM 1293 OD1 ASN A 103 15.018 -1.292 7.770 1.00 0.00 O ATOM 1294 ND2 ASN A 103 14.313 -2.247 5.869 1.00 0.00 N ATOM 0 H ASN A 103 16.200 -6.221 7.418 1.00 0.00 H new ATOM 0 HA ASN A 103 16.503 -3.845 8.976 1.00 0.00 H new ATOM 0 HB2 ASN A 103 17.215 -2.629 7.124 1.00 0.00 H new ATOM 0 HB3 ASN A 103 16.364 -3.649 5.981 1.00 0.00 H new ATOM 0 HD21 ASN A 103 13.533 -1.595 5.780 1.00 0.00 H new ATOM 0 HD22 ASN A 103 14.453 -2.973 5.167 1.00 0.00 H new ATOM 1301 N ILE A 104 14.022 -3.924 9.259 1.00 0.00 N ATOM 1302 CA ILE A 104 12.595 -4.065 9.499 1.00 0.00 C ATOM 1303 C ILE A 104 11.869 -2.812 9.035 1.00 0.00 C ATOM 1304 O ILE A 104 12.347 -1.696 9.244 1.00 0.00 O ATOM 1305 CB ILE A 104 12.263 -4.300 10.993 1.00 0.00 C ATOM 1306 CG1 ILE A 104 12.608 -5.735 11.406 1.00 0.00 C ATOM 1307 CG2 ILE A 104 10.789 -4.001 11.259 1.00 0.00 C ATOM 1308 CD1 ILE A 104 13.001 -5.858 12.861 1.00 0.00 C ATOM 0 H ILE A 104 14.505 -3.323 9.927 1.00 0.00 H new ATOM 0 HA ILE A 104 12.266 -4.939 8.937 1.00 0.00 H new ATOM 0 HB ILE A 104 12.869 -3.621 11.594 1.00 0.00 H new ATOM 0 HG12 ILE A 104 11.750 -6.378 11.213 1.00 0.00 H new ATOM 0 HG13 ILE A 104 13.425 -6.099 10.784 1.00 0.00 H new ATOM 0 HG21 ILE A 104 10.568 -4.170 12.313 1.00 0.00 H new ATOM 0 HG22 ILE A 104 10.577 -2.962 11.006 1.00 0.00 H new ATOM 0 HG23 ILE A 104 10.169 -4.657 10.648 1.00 0.00 H new ATOM 0 HD11 ILE A 104 13.233 -6.898 13.089 1.00 0.00 H new ATOM 0 HD12 ILE A 104 13.878 -5.240 13.054 1.00 0.00 H new ATOM 0 HD13 ILE A 104 12.176 -5.524 13.490 1.00 0.00 H new ATOM 1320 N ASP A 105 10.725 -2.999 8.409 1.00 0.00 N ATOM 1321 CA ASP A 105 9.891 -1.890 7.994 1.00 0.00 C ATOM 1322 C ASP A 105 8.550 -1.951 8.705 1.00 0.00 C ATOM 1323 O ASP A 105 7.681 -2.746 8.343 1.00 0.00 O ATOM 1324 CB ASP A 105 9.673 -1.946 6.490 1.00 0.00 C ATOM 1325 CG ASP A 105 9.510 -0.573 5.869 1.00 0.00 C ATOM 1326 OD1 ASP A 105 10.272 0.346 6.235 1.00 0.00 O ATOM 1327 OD2 ASP A 105 8.636 -0.407 4.992 1.00 0.00 O ATOM 0 H ASP A 105 10.349 -3.918 8.175 1.00 0.00 H new ATOM 0 HA ASP A 105 10.390 -0.956 8.254 1.00 0.00 H new ATOM 0 HB2 ASP A 105 10.518 -2.453 6.024 1.00 0.00 H new ATOM 0 HB3 ASP A 105 8.786 -2.543 6.278 1.00 0.00 H new ATOM 1332 N ASN A 106 8.389 -1.128 9.725 1.00 0.00 N ATOM 1333 CA ASN A 106 7.123 -1.033 10.431 1.00 0.00 C ATOM 1334 C ASN A 106 6.662 0.418 10.448 1.00 0.00 C ATOM 1335 O ASN A 106 7.386 1.311 10.893 1.00 0.00 O ATOM 1336 CB ASN A 106 7.239 -1.613 11.856 1.00 0.00 C ATOM 1337 CG ASN A 106 7.508 -0.572 12.930 1.00 0.00 C ATOM 1338 OD1 ASN A 106 6.456 -0.120 13.595 1.00 0.00 O flip ATOM 1339 ND2 ASN A 106 8.654 -0.178 13.156 1.00 0.00 N flip ATOM 0 H ASN A 106 9.120 -0.514 10.084 1.00 0.00 H new ATOM 0 HA ASN A 106 6.374 -1.628 9.909 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.316 -2.139 12.099 1.00 0.00 H new ATOM 0 HB3 ASN A 106 8.041 -2.351 11.872 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.437 -0.553 12.620 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.819 0.522 13.879 1.00 0.00 H new ATOM 1346 N LYS A 107 5.486 0.661 9.903 1.00 0.00 N ATOM 1347 CA LYS A 107 4.962 2.013 9.822 1.00 0.00 C ATOM 1348 C LYS A 107 3.456 2.011 10.039 1.00 0.00 C ATOM 1349 O LYS A 107 2.734 1.230 9.411 1.00 0.00 O ATOM 1350 CB LYS A 107 5.307 2.647 8.468 1.00 0.00 C ATOM 1351 CG LYS A 107 6.658 3.348 8.440 1.00 0.00 C ATOM 1352 CD LYS A 107 7.700 2.507 7.714 1.00 0.00 C ATOM 1353 CE LYS A 107 8.978 2.375 8.522 1.00 0.00 C ATOM 1354 NZ LYS A 107 10.185 2.526 7.673 1.00 0.00 N ATOM 0 H LYS A 107 4.876 -0.056 9.511 1.00 0.00 H new ATOM 0 HA LYS A 107 5.426 2.609 10.608 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.295 1.872 7.702 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.530 3.366 8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.559 4.315 7.946 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.991 3.543 9.460 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.292 1.516 7.514 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.925 2.960 6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.990 3.130 9.309 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.999 1.402 9.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.973 2.883 8.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.442 1.603 7.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.987 3.198 6.905 1.00 0.00 H new ATOM 1368 N PRO A 108 2.973 2.878 10.944 1.00 0.00 N ATOM 1369 CA PRO A 108 1.545 3.014 11.245 1.00 0.00 C ATOM 1370 C PRO A 108 0.728 3.391 10.013 1.00 0.00 C ATOM 1371 O PRO A 108 1.273 3.733 8.961 1.00 0.00 O ATOM 1372 CB PRO A 108 1.496 4.144 12.279 1.00 0.00 C ATOM 1373 CG PRO A 108 2.860 4.190 12.865 1.00 0.00 C ATOM 1374 CD PRO A 108 3.792 3.791 11.756 1.00 0.00 C ATOM 0 HA PRO A 108 1.117 2.077 11.601 1.00 0.00 H new ATOM 0 HB2 PRO A 108 1.235 5.094 11.813 1.00 0.00 H new ATOM 0 HB3 PRO A 108 0.745 3.947 13.044 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.095 5.189 13.233 1.00 0.00 H new ATOM 0 HG3 PRO A 108 2.945 3.510 13.712 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.125 4.654 11.180 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.686 3.298 12.138 1.00 0.00 H new ATOM 1382 N ALA A 109 -0.585 3.336 10.158 1.00 0.00 N ATOM 1383 CA ALA A 109 -1.494 3.618 9.059 1.00 0.00 C ATOM 1384 C ALA A 109 -1.376 5.063 8.584 1.00 0.00 C ATOM 1385 O ALA A 109 -1.428 5.338 7.383 1.00 0.00 O ATOM 1386 CB ALA A 109 -2.915 3.328 9.490 1.00 0.00 C ATOM 0 H ALA A 109 -1.049 3.096 11.034 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.223 2.974 8.222 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.596 3.540 8.665 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.003 2.279 9.773 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.172 3.956 10.343 1.00 0.00 H new ATOM 1392 N LEU A 110 -1.214 5.980 9.527 1.00 0.00 N ATOM 1393 CA LEU A 110 -1.136 7.394 9.204 1.00 0.00 C ATOM 1394 C LEU A 110 0.310 7.862 9.196 1.00 0.00 C ATOM 1395 O LEU A 110 0.890 8.142 10.246 1.00 0.00 O ATOM 1396 CB LEU A 110 -1.954 8.220 10.200 1.00 0.00 C ATOM 1397 CG LEU A 110 -3.209 8.880 9.622 1.00 0.00 C ATOM 1398 CD1 LEU A 110 -2.829 9.982 8.646 1.00 0.00 C ATOM 1399 CD2 LEU A 110 -4.092 7.847 8.938 1.00 0.00 C ATOM 0 H LEU A 110 -1.134 5.768 10.522 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.553 7.539 8.207 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.250 7.574 11.027 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.313 8.997 10.616 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.772 9.323 10.444 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.733 10.440 8.245 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.238 10.738 9.163 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.244 9.559 7.830 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.978 8.336 8.534 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.538 7.374 8.128 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.394 7.090 9.662 1.00 0.00 H new ATOM 1411 N SER A 111 0.889 7.923 8.010 1.00 0.00 N ATOM 1412 CA SER A 111 2.239 8.426 7.836 1.00 0.00 C ATOM 1413 C SER A 111 2.264 9.942 8.010 1.00 0.00 C ATOM 1414 O SER A 111 1.210 10.576 8.124 1.00 0.00 O ATOM 1415 CB SER A 111 2.744 8.042 6.446 1.00 0.00 C ATOM 1416 OG SER A 111 1.683 7.525 5.654 1.00 0.00 O ATOM 0 H SER A 111 0.439 7.627 7.144 1.00 0.00 H new ATOM 0 HA SER A 111 2.890 7.985 8.590 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.178 8.914 5.957 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.536 7.298 6.533 1.00 0.00 H new ATOM 0 HG SER A 111 1.224 8.262 5.200 1.00 0.00 H new ATOM 1422 N GLY A 112 3.457 10.520 8.036 1.00 0.00 N ATOM 1423 CA GLY A 112 3.581 11.957 8.161 1.00 0.00 C ATOM 1424 C GLY A 112 3.031 12.679 6.952 1.00 0.00 C ATOM 1425 O GLY A 112 2.088 13.464 7.062 1.00 0.00 O ATOM 0 H GLY A 112 4.342 10.018 7.973 1.00 0.00 H new ATOM 0 HA2 GLY A 112 3.053 12.290 9.054 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.630 12.220 8.295 1.00 0.00 H new ATOM 1429 N ASN A 113 3.612 12.403 5.796 1.00 0.00 N ATOM 1430 CA ASN A 113 3.164 13.009 4.552 1.00 0.00 C ATOM 1431 C ASN A 113 2.268 12.041 3.792 1.00 0.00 C ATOM 1432 O ASN A 113 2.735 11.016 3.285 1.00 0.00 O ATOM 1433 CB ASN A 113 4.368 13.418 3.694 1.00 0.00 C ATOM 1434 CG ASN A 113 3.998 13.735 2.254 1.00 0.00 C ATOM 1435 OD1 ASN A 113 3.025 14.441 1.983 1.00 0.00 O ATOM 1436 ND2 ASN A 113 4.781 13.217 1.320 1.00 0.00 N ATOM 0 H ASN A 113 4.398 11.761 5.693 1.00 0.00 H new ATOM 0 HA ASN A 113 2.589 13.905 4.784 1.00 0.00 H new ATOM 0 HB2 ASN A 113 4.844 14.291 4.140 1.00 0.00 H new ATOM 0 HB3 ASN A 113 5.103 12.614 3.705 1.00 0.00 H new ATOM 0 HD21 ASN A 113 4.588 13.398 0.335 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.577 12.637 1.586 1.00 0.00 H new ATOM 1443 N LEU A 114 0.977 12.375 3.744 1.00 0.00 N ATOM 1444 CA LEU A 114 -0.043 11.566 3.074 1.00 0.00 C ATOM 1445 C LEU A 114 -0.317 10.262 3.827 1.00 0.00 C ATOM 1446 O LEU A 114 0.585 9.647 4.404 1.00 0.00 O ATOM 1447 CB LEU A 114 0.350 11.268 1.622 1.00 0.00 C ATOM 1448 CG LEU A 114 -0.534 10.245 0.912 1.00 0.00 C ATOM 1449 CD1 LEU A 114 -1.634 10.941 0.126 1.00 0.00 C ATOM 1450 CD2 LEU A 114 0.301 9.366 -0.005 1.00 0.00 C ATOM 0 H LEU A 114 0.607 13.223 4.173 1.00 0.00 H new ATOM 0 HA LEU A 114 -0.962 12.152 3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 114 0.328 12.200 1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 114 1.379 10.910 1.606 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.000 9.612 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -2.253 10.195 -0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.251 11.529 0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.188 11.599 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.345 8.643 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.795 9.986 -0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.052 8.838 0.582 1.00 0.00 H new ATOM 1462 N GLU A 115 -1.573 9.843 3.817 1.00 0.00 N ATOM 1463 CA GLU A 115 -1.972 8.604 4.466 1.00 0.00 C ATOM 1464 C GLU A 115 -1.620 7.409 3.589 1.00 0.00 C ATOM 1465 O GLU A 115 -1.201 7.573 2.441 1.00 0.00 O ATOM 1466 CB GLU A 115 -3.477 8.595 4.775 1.00 0.00 C ATOM 1467 CG GLU A 115 -4.160 9.949 4.624 1.00 0.00 C ATOM 1468 CD GLU A 115 -4.507 10.274 3.184 1.00 0.00 C ATOM 1469 OE1 GLU A 115 -5.485 9.707 2.654 1.00 0.00 O ATOM 1470 OE2 GLU A 115 -3.798 11.096 2.575 1.00 0.00 O ATOM 0 H GLU A 115 -2.337 10.346 3.364 1.00 0.00 H new ATOM 0 HA GLU A 115 -1.428 8.533 5.408 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -3.967 7.879 4.115 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.624 8.240 5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -5.070 9.961 5.224 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -3.507 10.727 5.020 1.00 0.00 H new ATOM 1477 N HIS A 116 -1.779 6.210 4.131 1.00 0.00 N ATOM 1478 CA HIS A 116 -1.538 4.991 3.368 1.00 0.00 C ATOM 1479 C HIS A 116 -2.730 4.710 2.458 1.00 0.00 C ATOM 1480 O HIS A 116 -3.518 3.799 2.706 1.00 0.00 O ATOM 1481 CB HIS A 116 -1.302 3.801 4.305 1.00 0.00 C ATOM 1482 CG HIS A 116 0.085 3.732 4.876 1.00 0.00 C ATOM 1483 ND1 HIS A 116 1.111 4.577 4.504 1.00 0.00 N ATOM 1484 CD2 HIS A 116 0.609 2.903 5.810 1.00 0.00 C ATOM 1485 CE1 HIS A 116 2.201 4.269 5.184 1.00 0.00 C ATOM 1486 NE2 HIS A 116 1.923 3.258 5.985 1.00 0.00 N ATOM 0 H HIS A 116 -2.073 6.054 5.095 1.00 0.00 H new ATOM 0 HA HIS A 116 -0.644 5.131 2.761 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -2.018 3.851 5.125 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -1.505 2.879 3.761 1.00 0.00 H new ATOM 0 HD2 HIS A 116 0.088 2.108 6.323 1.00 0.00 H new ATOM 0 HE1 HIS A 116 3.158 4.762 5.099 1.00 0.00 H new ATOM 0 HE2 HIS A 116 2.577 2.813 6.629 1.00 0.00 H new ATOM 1495 N HIS A 117 -2.854 5.506 1.408 1.00 0.00 N ATOM 1496 CA HIS A 117 -4.008 5.429 0.526 1.00 0.00 C ATOM 1497 C HIS A 117 -3.749 4.490 -0.647 1.00 0.00 C ATOM 1498 O HIS A 117 -4.672 3.871 -1.171 1.00 0.00 O ATOM 1499 CB HIS A 117 -4.368 6.822 0.011 1.00 0.00 C ATOM 1500 CG HIS A 117 -5.840 7.102 0.024 1.00 0.00 C ATOM 1501 ND1 HIS A 117 -6.420 8.042 0.846 1.00 0.00 N ATOM 1502 CD2 HIS A 117 -6.855 6.550 -0.683 1.00 0.00 C ATOM 1503 CE1 HIS A 117 -7.721 8.056 0.645 1.00 0.00 C ATOM 1504 NE2 HIS A 117 -8.017 7.158 -0.275 1.00 0.00 N ATOM 0 H HIS A 117 -2.168 6.214 1.145 1.00 0.00 H new ATOM 0 HA HIS A 117 -4.844 5.029 1.100 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -3.859 7.569 0.620 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -3.994 6.932 -1.007 1.00 0.00 H new ATOM 0 HD1 HIS A 117 -5.920 8.635 1.508 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -6.767 5.775 -1.430 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -8.429 8.697 1.150 1.00 0.00 H new ATOM 1513 N HIS A 118 -2.496 4.395 -1.060 1.00 0.00 N ATOM 1514 CA HIS A 118 -2.124 3.527 -2.168 1.00 0.00 C ATOM 1515 C HIS A 118 -0.785 2.859 -1.894 1.00 0.00 C ATOM 1516 O HIS A 118 0.082 3.433 -1.234 1.00 0.00 O ATOM 1517 CB HIS A 118 -2.055 4.323 -3.475 1.00 0.00 C ATOM 1518 CG HIS A 118 -3.224 4.092 -4.385 1.00 0.00 C ATOM 1519 ND1 HIS A 118 -3.427 4.802 -5.549 1.00 0.00 N ATOM 1520 CD2 HIS A 118 -4.258 3.224 -4.295 1.00 0.00 C ATOM 1521 CE1 HIS A 118 -4.534 4.381 -6.133 1.00 0.00 C ATOM 1522 NE2 HIS A 118 -5.055 3.424 -5.392 1.00 0.00 N ATOM 0 H HIS A 118 -1.718 4.908 -0.645 1.00 0.00 H new ATOM 0 HA HIS A 118 -2.887 2.756 -2.268 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -1.994 5.386 -3.240 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -1.138 4.060 -4.002 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -4.424 2.507 -3.505 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -4.942 4.757 -7.059 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -5.913 2.914 -5.601 1.00 0.00 H new ATOM 1531 N HIS A 119 -0.627 1.640 -2.388 1.00 0.00 N ATOM 1532 CA HIS A 119 0.601 0.886 -2.181 1.00 0.00 C ATOM 1533 C HIS A 119 1.626 1.217 -3.260 1.00 0.00 C ATOM 1534 O HIS A 119 2.798 1.455 -2.968 1.00 0.00 O ATOM 1535 CB HIS A 119 0.306 -0.615 -2.195 1.00 0.00 C ATOM 1536 CG HIS A 119 0.879 -1.361 -1.029 1.00 0.00 C ATOM 1537 ND1 HIS A 119 0.121 -2.170 -0.211 1.00 0.00 N ATOM 1538 CD2 HIS A 119 2.142 -1.430 -0.550 1.00 0.00 C ATOM 1539 CE1 HIS A 119 0.894 -2.703 0.715 1.00 0.00 C ATOM 1540 NE2 HIS A 119 2.129 -2.275 0.533 1.00 0.00 N ATOM 0 H HIS A 119 -1.335 1.151 -2.936 1.00 0.00 H new ATOM 0 HA HIS A 119 1.012 1.164 -1.211 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -0.774 -0.762 -2.212 1.00 0.00 H new ATOM 0 HB3 HIS A 119 0.700 -1.044 -3.116 1.00 0.00 H new ATOM 0 HD2 HIS A 119 3.004 -0.914 -0.947 1.00 0.00 H new ATOM 0 HE1 HIS A 119 0.570 -3.378 1.493 1.00 0.00 H new ATOM 0 HE2 HIS A 119 2.938 -2.529 1.101 1.00 0.00 H new ATOM 1549 N HIS A 120 1.157 1.248 -4.501 1.00 0.00 N ATOM 1550 CA HIS A 120 2.014 1.464 -5.664 1.00 0.00 C ATOM 1551 C HIS A 120 1.142 1.504 -6.912 1.00 0.00 C ATOM 1552 O HIS A 120 1.424 2.223 -7.870 1.00 0.00 O ATOM 1553 CB HIS A 120 3.071 0.348 -5.763 1.00 0.00 C ATOM 1554 CG HIS A 120 3.672 0.152 -7.126 1.00 0.00 C ATOM 1555 ND1 HIS A 120 4.446 1.099 -7.764 1.00 0.00 N ATOM 1556 CD2 HIS A 120 3.616 -0.907 -7.967 1.00 0.00 C ATOM 1557 CE1 HIS A 120 4.833 0.630 -8.936 1.00 0.00 C ATOM 1558 NE2 HIS A 120 4.344 -0.585 -9.082 1.00 0.00 N ATOM 0 H HIS A 120 0.171 1.124 -4.732 1.00 0.00 H new ATOM 0 HA HIS A 120 2.544 2.412 -5.566 1.00 0.00 H new ATOM 0 HB2 HIS A 120 3.873 0.567 -5.058 1.00 0.00 H new ATOM 0 HB3 HIS A 120 2.616 -0.590 -5.446 1.00 0.00 H new ATOM 0 HD2 HIS A 120 3.093 -1.836 -7.791 1.00 0.00 H new ATOM 0 HE1 HIS A 120 5.447 1.154 -9.654 1.00 0.00 H new ATOM 0 HE2 HIS A 120 4.485 -1.187 -9.893 1.00 0.00 H new ATOM 1567 N HIS A 121 0.079 0.719 -6.881 1.00 0.00 N ATOM 1568 CA HIS A 121 -0.906 0.715 -7.944 1.00 0.00 C ATOM 1569 C HIS A 121 -2.144 1.465 -7.470 1.00 0.00 C ATOM 1570 O HIS A 121 -2.399 1.460 -6.249 1.00 0.00 O ATOM 1571 CB HIS A 121 -1.248 -0.731 -8.333 1.00 0.00 C ATOM 1572 CG HIS A 121 -2.458 -0.880 -9.205 1.00 0.00 C ATOM 1573 ND1 HIS A 121 -2.574 -0.294 -10.446 1.00 0.00 N ATOM 1574 CD2 HIS A 121 -3.605 -1.570 -9.011 1.00 0.00 C ATOM 1575 CE1 HIS A 121 -3.738 -0.616 -10.975 1.00 0.00 C ATOM 1576 NE2 HIS A 121 -4.384 -1.392 -10.126 1.00 0.00 N ATOM 1577 OXT HIS A 121 -2.849 2.052 -8.310 1.00 0.00 O ATOM 0 H HIS A 121 -0.123 0.070 -6.121 1.00 0.00 H new ATOM 0 HA HIS A 121 -0.509 1.213 -8.828 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -0.391 -1.166 -8.848 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -1.401 -1.311 -7.423 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -3.861 -2.154 -8.139 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -4.101 -0.298 -11.941 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -5.310 -1.793 -10.274 1.00 0.00 H new TER 1586 HIS A 121